#DEFINITION	Reference Metabolome for Salvia miltiorrhiza
#IDENTTFIER	RefMeta-Salvia miltiorrhiza.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Salvia miltiorrhiza
#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 Salvia miltiorrhiza 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	1000.308
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06581	0.3
76.22124	0.1
81.03367	0.2
81.03807	0.1
85.02869	0.1
86.09696	0.2
88.19248	0.1
91.05444	0.2
97.02837	0.1
105.07047	0.1
109.02859	0.1
111.00787	0.1
115.05430	0.1
119.04901	0.2
121.02824	0.1
127.03926	0.2
137.01309	0.1
137.02338	1.3
139.05513	0.1
141.06926	0.1
143.04922	0.2
147.04382	0.8
149.02322	0.3
150.03073	0.1
157.06450	0.2
161.05922	0.3
163.03876	0.2
165.01802	0.2
166.55429	0.1
167.04967	0.1
171.04437	0.1
175.03864	0.2
175.07433	0.2
177.01733	0.1
185.05988	0.6
189.05449	0.4
193.04936	0.1
199.03821	0.2
203.07053	0.2
203.84531	0.1
213.05455	1.4
213.08833	0.1
216.04170	0.1
231.06464	0.6
241.04935	0.7
242.05721	0.1
245.04419	0.1
259.06100	0.2
267.69077	0.1
269.04367	0.2
287.05469	100.0
288.05750	1.1
299.05585	0.1
337.11432	0.1
376.21609	0.1
533.12866	0.6
577.11823	13.5
578.11542	0.1
595.14392	6.7
596.14862	0.1
619.84796	0.1
709.02490	0.1
814.64832	0.1
841.21283	0.2
885.20721	8.3
886.20721	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	1002.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75745	22.7
79.05492	88.5
79.97124	6.4
81.03396	10.8
81.07052	100.0
81.83433	6.7
83.04975	11.1
83.08617	24.5
85.02888	9.8
91.03950	7.3
91.05470	92.6
93.07047	88.3
95.04980	23.2
95.08591	65.3
97.02903	12.1
97.06528	8.9
97.10149	16.8
98.22744	7.9
99.08091	7.0
105.07018	98.5
106.34622	6.6
107.08600	54.7
109.06532	11.6
109.10162	29.0
111.08051	7.9
117.07034	38.7
119.08579	77.6
121.10158	28.9
123.08072	9.2
123.11663	11.3
125.09663	11.3
127.03931	7.4
129.07025	16.5
130.07780	7.3
131.08577	56.9
133.10130	53.1
135.11688	26.2
141.06981	14.5
143.08565	27.4
145.10136	35.0
147.11717	40.2
149.09578	8.4
149.13225	14.9
155.08498	10.9
157.10135	22.4
159.11703	28.8
161.13248	20.9
167.08511	13.5
169.10089	11.7
171.11708	23.3
173.13269	20.1
175.14900	11.9
183.11761	13.4
185.13289	24.9
195.11801	9.4
197.13181	14.3
199.14789	14.1
209.13368	14.6
241.19589	15.9
259.20593	55.0
269.17322	11.8
273.18451	11.9
275.20065	22.1
294.74521	7.4
333.24252	43.3
335.25717	13.6
349.23486	21.1
453.33279	8.0
509.35892	9.7
513.35797	33.3
527.37274	52.2
527.89929	7.3
545.38800	7.5
607.43365	71.3
625.44525	65.2
643.45673	12.6
769.48486	11.7
923.39288	7.9
927.54150	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	1006.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86349	0.7
71.01352	0.4
71.04983	0.3
76.76128	0.2
81.03403	0.6
83.04972	45.3
85.02895	100.0
86.03214	0.2
87.04453	0.8
89.55624	0.2
91.05465	1.0
91.25805	0.2
97.02845	0.3
99.04450	0.3
101.06041	0.3
103.05458	0.3
103.38226	0.2
109.02852	1.0
111.04433	26.8
115.05442	0.5
116.06243	0.4
117.06967	0.3
119.04928	0.3
127.03901	6.2
129.05466	12.6
129.07004	0.8
131.08578	1.7
141.07002	0.5
143.33000	0.2
144.05721	1.2
145.06473	0.7
149.94617	0.2
151.03893	0.3
151.07555	1.0
153.05475	0.3
157.06471	0.9
159.08046	2.9
161.05859	0.2
163.03914	0.5
167.07045	0.6
169.04988	0.3
169.07664	0.3
171.06505	76.4
172.06839	0.3
173.06006	1.2
174.06813	0.3
175.07558	0.5
179.07010	0.4
185.05984	0.5
187.05978	0.7
187.07527	2.1
189.09044	0.3
191.06992	0.3
203.06993	0.6
204.07794	1.2
205.06989	0.4
205.08681	0.3
217.08600	0.9
219.10199	0.9
231.06531	0.5
231.08589	6.9
233.08041	0.4
235.06076	0.5
235.09641	1.2
245.08035	0.5
259.09552	0.9
263.09125	23.8
277.10712	0.7
281.10138	0.6
289.07428	0.2
306.26398	0.2
353.10342	0.2
431.13345	0.5
467.15009	0.3
857.96613	0.3
938.70264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66906	1.7
69.67241	0.6
73.02922	2.6
79.05506	1.9
81.03419	1.0
81.07058	2.7
83.05034	0.6
85.02888	3.5
87.04427	0.5
91.03978	1.7
91.05493	2.5
93.07066	2.2
95.04957	0.9
95.08630	1.8
97.02866	3.1
101.02360	1.2
105.07034	1.5
107.08591	0.8
109.10117	0.7
119.08630	1.0
127.03978	1.2
133.10149	0.7
135.11604	0.9
145.04935	0.6
159.11707	0.7
162.61848	0.5
185.04355	0.6
203.05275	0.8
224.26372	0.5
242.12762	0.5
243.08501	2.1
249.93271	0.6
301.09222	0.6
315.15759	1.3
333.20480	1.2
347.09335	2.7
363.09332	0.9
365.10550	0.6
405.13629	4.8
439.19666	0.7
515.26263	0.7
535.28986	2.4
551.28503	2.4
627.26495	0.7
697.33929	4.2
713.33856	2.7
845.51929	1.3
909.46881	0.7
1007.55383	100.0
1008.55432	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	1007.5544
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98170	0.3
73.02898	2.1
79.05480	1.9
81.03430	1.1
81.07056	1.9
85.02888	3.4
91.03962	1.5
91.05489	2.0
93.07034	1.9
95.04990	0.8
95.08623	1.2
97.02882	4.0
99.04467	0.4
101.02387	0.9
105.07075	1.1
107.08602	0.9
109.02853	0.4
109.10181	0.4
117.06972	0.3
119.08600	0.7
121.10107	0.5
127.03938	1.0
129.07047	0.4
131.08563	0.5
133.10179	0.6
135.11690	0.6
147.11717	0.7
149.16675	0.4
176.99081	0.4
185.04277	0.7
187.14914	0.4
203.05295	0.5
206.83411	0.3
243.08517	1.5
259.07877	0.4
293.64243	0.4
301.09009	0.6
313.09015	0.5
333.20593	0.9
347.09451	2.8
363.09137	1.2
365.10843	0.6
373.23572	0.5
405.13516	5.5
405.17801	0.5
453.20566	0.4
463.14600	1.0
465.21225	0.5
477.16220	0.6
535.28589	3.1
551.28320	2.7
591.23187	0.5
615.26520	0.4
627.26282	0.7
629.27002	0.4
697.33868	4.5
713.33484	3.4
729.33362	0.4
731.88214	0.4
766.98816	0.4
785.35699	0.8
845.49268	0.6
921.53735	0.4
1007.55359	100.0
1008.55524	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	1009.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	0.7
71.36684	0.8
73.02925	1.9
79.05505	1.5
81.03425	1.0
81.07053	3.2
85.02897	4.4
91.03970	2.5
91.05498	1.5
93.07079	1.1
95.04956	0.7
95.08617	1.6
97.02886	4.5
99.04483	1.0
101.02390	1.6
105.07054	1.2
107.08611	1.1
109.02785	0.7
109.10175	0.9
110.83821	0.6
119.08612	0.6
127.03983	1.1
185.04248	1.0
211.32668	0.5
243.08495	2.1
244.80742	0.6
279.69992	0.6
347.09738	2.0
351.21664	1.7
405.13593	4.9
519.29370	3.4
569.29138	4.4
648.46210	0.6
681.34515	5.8
731.34601	3.9
809.42194	0.7
847.51123	0.9
1009.56952	100.0
1010.57574	2.1
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
60.35475	1.2
70.26984	2.2
75.88676	1.2
77.65681	1.2
79.01879	2.2
82.99852	2.5
83.01529	2.9
84.01214	1.7
100.02486	2.1
101.00877	37.5
101.02544	7.9
102.02245	2.0
104.05318	1.5
108.84755	1.5
119.01917	100.0
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
51.02359	0.5
56.05032	1.1
56.96546	1.6
57.03423	1.4
58.96152	1.6
70.03165	1.2
79.01839	2.6
80.90233	0.5
82.99832	2.6
83.01520	0.7
84.04504	2.3
85.02905	10.1
92.64092	0.4
98.23350	0.7
100.02481	1.6
101.00874	32.4
101.02554	2.5
102.00941	1.1
102.02215	0.6
102.05544	0.8
111.69595	0.5
118.03503	1.4
119.01910	100.0
119.31387	0.6
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
56.96564	1.3
57.03435	1.2
58.96158	4.6
65.01192	1.0
68.18947	0.9
68.34010	0.8
71.06115	1.1
71.28209	1.1
79.01857	2.7
82.99845	2.8
83.01501	1.0
84.04523	2.2
84.05614	2.4
85.02896	6.7
87.87856	0.9
92.77898	0.8
100.02473	2.4
100.97214	1.1
101.00880	33.5
101.02554	6.4
101.05872	6.4
102.00945	1.3
102.02216	1.4
111.98334	0.8
118.03524	1.9
119.01914	100.0
119.03638	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	101.0601
Annotation	2-Ethylacrylic acid
Peak:m/z	Relative Intensity
51.67132	2.0
55.05508	100.0
56.05016	2.7
57.03432	17.2
59.04996	21.9
59.06113	3.5
62.44114	2.6
69.88918	2.5
73.06567	18.2
74.09718	4.5
83.04980	10.3
94.70579	2.0
100.07415	2.5
101.06016	12.1
101.07938	7.2
102.09193	3.5
102.12825	12.3
105.96871	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0601
Annotation	2-Ethylacrylic acid
Peak:m/z	Relative Intensity
51.59137	1.4
53.03938	2.2
55.05509	100.0
56.05853	1.6
57.03432	11.5
58.06569	1.7
58.96147	2.6
59.04998	14.5
63.66106	2.0
66.78779	1.4
68.87807	1.4
73.06548	12.9
74.06055	4.9
75.05921	1.6
83.04988	25.3
85.02882	1.8
100.98865	1.5
101.06007	14.0
101.07956	8.3
102.09168	4.6
102.12840	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	1011.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40948	0.3
83.04971	3.8
83.05423	0.3
85.02895	6.3
91.05471	5.5
95.04996	0.6
96.45754	0.2
98.23371	0.2
98.46845	0.2
99.04465	0.2
103.62793	0.2
105.06117	0.2
109.02870	0.3
111.04435	1.7
118.63995	0.2
119.04941	2.9
119.05744	0.3
127.03912	0.3
129.05475	1.2
136.05257	0.7
137.06013	0.5
151.07524	5.8
167.03261	0.3
167.07045	1.0
171.06517	1.0
175.07373	0.2
179.07111	0.4
193.04695	2.9
193.06317	0.3
195.06308	0.3
211.05876	0.4
219.06201	0.2
230.83209	0.2
253.06915	0.5
299.08990	0.6
317.10272	0.7
359.11151	0.5
361.12756	0.6
377.12012	1.2
565.06525	0.2
573.19702	0.3
607.19977	1.0
721.23926	0.2
781.27130	0.8
808.41772	0.3
917.49652	0.3
1011.34528	100.0
1012.34717	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	1013.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
94.40755	0.3
98.23409	0.6
98.75336	0.3
125.06808	0.3
145.02806	0.7
177.05479	0.7
178.96184	0.3
739.71564	0.3
783.22272	0.5
858.30383	0.6
890.32684	0.4
1013.30408	100.0
1014.30347	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	1013.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
83.03222	0.3
98.22716	0.6
101.19398	0.2
109.18799	0.2
126.81463	0.2
127.29955	0.3
145.02919	0.3
163.04025	0.3
177.05515	0.6
198.59492	0.3
462.16763	0.3
481.66373	0.3
783.21729	0.8
858.29974	0.4
1013.30365	100.0
1014.30298	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	1018.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05479	3.8
81.07053	4.4
83.08600	0.9
89.03914	12.0
91.05496	2.0
93.07034	3.1
95.04951	1.0
95.08592	1.2
97.06530	0.8
105.04514	0.6
105.07035	0.9
107.04970	3.1
107.08569	1.7
117.03371	10.3
117.07082	0.6
121.10146	0.8
123.04467	0.4
124.99933	0.4
131.08524	1.1
134.68527	0.3
135.04407	22.2
135.11653	0.5
136.04727	0.5
139.03896	0.4
145.02837	14.6
145.03819	0.5
148.53752	0.4
149.13258	1.4
158.15981	0.3
159.11653	0.9
161.05972	0.6
161.16718	0.4
163.03891	100.0
164.04210	1.4
169.06487	0.5
171.08054	0.6
173.05943	1.9
177.12744	0.7
181.06464	1.1
183.07999	0.4
184.07333	0.7
187.07542	1.1
189.05504	0.6
195.08086	0.4
195.13795	1.1
197.05972	1.7
199.07481	2.1
201.05467	0.6
203.06966	0.5
211.07610	0.7
213.05495	0.9
213.09079	0.6
215.07011	1.0
217.04964	1.6
223.07654	0.4
225.05493	0.9
227.06873	0.5
237.07529	1.5
263.14371	0.4
269.17477	11.8
281.15359	1.1
291.13687	0.8
309.14871	3.0
311.12878	0.6
327.15912	2.5
329.13782	1.0
337.14285	1.5
355.15289	1.2
360.98401	0.4
383.18561	0.9
385.16431	1.8
401.19391	0.9
411.18069	0.8
411.43942	0.4
429.19092	2.2
431.20630	7.6
447.20007	1.2
531.27271	0.6
577.31213	1.0
595.32880	2.4
597.30188	0.7
605.30920	0.7
609.22614	2.1
613.34467	0.5
623.32263	1.8
627.24310	2.6
641.32977	4.7
659.34033	3.3
803.36609	1.0
821.37390	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	1021.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02922	1.6
74.46820	0.4
79.05486	1.8
81.03421	1.2
81.07040	2.2
83.04965	0.6
83.08635	0.8
85.02888	2.7
91.03954	1.7
91.05473	1.8
93.07053	1.4
95.04987	1.0
95.08624	1.0
97.02877	3.7
97.06548	0.4
97.10178	0.6
101.02399	1.3
105.07058	1.2
105.48849	0.4
107.08620	0.9
109.02903	0.5
109.06551	0.6
109.10142	0.6
117.07070	0.5
119.08605	0.8
121.10118	0.6
125.09666	0.7
127.03940	0.8
131.08617	0.7
133.10156	0.5
135.11754	0.4
151.04033	0.4
176.01070	0.4
185.04214	0.6
194.75848	0.4
201.03738	0.4
203.05280	0.7
223.13342	0.5
243.08409	2.5
291.19690	1.0
311.65344	0.4
331.18918	1.2
333.20422	0.6
347.09396	2.1
363.09082	0.6
365.10837	0.6
387.21341	0.7
389.23273	0.8
405.13571	6.4
431.87720	0.4
439.19284	0.7
451.19647	0.5
453.21136	1.2
519.22205	0.4
534.58527	0.4
549.26459	3.5
551.28156	4.1
711.31860	2.9
713.33392	3.1
859.48108	0.9
935.76324	0.4
975.49115	1.0
1021.53247	100.0
1022.53583	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	1022.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01364	0.4
78.04717	0.4
81.03403	1.6
83.04971	49.0
85.02893	100.0
87.04441	1.1
88.19840	0.4
89.03902	5.7
91.05479	0.6
97.02862	1.9
99.04452	1.1
101.06020	0.4
103.05462	0.6
105.07054	0.9
107.04982	1.0
109.02862	7.2
111.04430	27.2
115.05481	0.4
117.03365	12.4
127.03899	6.3
129.05461	13.2
133.06477	0.8
134.03612	1.0
135.04372	1.4
137.05997	1.0
139.03824	0.5
143.04832	0.5
145.02831	34.6
149.05975	4.2
151.07512	0.9
153.05423	2.1
161.05954	0.8
163.03839	1.0
167.07077	2.7
169.04924	0.8
171.06502	77.9
175.07542	0.7
177.05444	79.9
178.05852	0.5
179.07007	1.2
181.06293	0.4
181.08710	0.3
184.07341	0.5
186.05507	0.8
187.06042	0.9
191.06979	0.4
193.08551	2.4
195.06396	0.4
206.74731	0.4
207.06485	0.6
213.28329	0.4
217.08473	0.4
219.07961	0.4
227.88950	0.4
231.08600	9.1
241.08658	0.9
247.07408	0.4
249.09077	0.7
259.09729	0.4
261.07370	0.5
267.10410	0.4
276.07819	0.4
277.08466	0.6
281.11606	0.5
285.07455	0.7
287.09021	0.4
295.09811	0.6
297.11057	0.6
303.08582	0.6
309.11212	2.1
321.09558	0.6
329.13785	1.5
339.11258	0.3
341.13760	3.0
359.14783	1.0
369.13144	0.6
381.11728	28.2
407.13205	1.4
437.15823	0.6
523.18433	0.4
551.17096	0.4
611.19720	6.4
679.24127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02924	1.4
79.05504	1.5
81.03427	0.9
81.07034	1.8
83.04972	0.4
85.02902	2.5
89.08166	0.4
91.03971	1.5
91.05491	1.3
93.07039	1.6
95.08603	0.6
97.02892	2.8
97.06535	0.5
101.02399	0.8
105.07050	0.7
107.08593	0.5
109.02869	0.4
109.10165	0.5
115.04037	0.3
117.06989	0.5
119.08628	0.7
127.03920	0.6
131.08621	0.5
159.11748	0.4
163.03923	0.4
185.04242	0.4
224.06013	0.3
243.08475	1.2
302.23312	0.3
333.20200	1.9
347.09552	1.3
365.10373	0.7
389.23102	0.6
405.13666	3.6
439.19443	1.1
453.21078	1.5
551.28229	5.9
601.25116	0.6
615.26501	0.6
713.33380	6.0
861.50336	0.8
1023.54865	100.0
1024.55005	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	1024.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05510	2.6
80.05021	1.4
83.06108	14.1
84.04497	13.3
89.03899	2.4
91.05470	7.8
93.03386	8.5
95.04964	1.9
99.05561	1.5
107.04945	10.0
107.06065	2.1
109.07660	2.0
109.69396	1.4
111.04446	22.8
112.03961	4.9
119.04955	1.5
121.01063	5.6
122.34052	1.4
123.04423	2.6
127.02151	2.6
129.06604	21.1
130.04988	19.7
131.04944	5.1
133.02878	2.2
135.02640	5.5
135.04408	28.9
135.05394	1.5
136.03947	2.2
137.02315	5.4
137.06001	2.3
138.05533	2.3
139.02132	4.1
139.03899	45.0
143.04895	2.9
147.02594	7.0
147.04491	1.5
147.07578	1.8
149.00552	24.7
150.03168	1.3
153.06570	5.1
155.01582	4.1
155.08244	1.4
159.04472	2.0
161.06004	1.4
163.02151	14.9
163.03888	10.2
165.00021	2.5
165.06955	5.5
167.01628	16.2
173.00604	3.4
175.02103	6.0
175.03758	2.4
177.06836	1.4
179.01672	1.6
181.04800	17.9
181.06187	5.1
183.01157	3.9
187.03947	8.8
191.01585	27.3
193.03157	4.1
193.06432	5.1
195.01106	54.7
197.05972	3.3
199.07233	2.1
201.00098	2.2
203.03375	6.1
204.06563	3.1
205.06522	7.0
208.04289	1.6
209.02625	9.9
211.00612	5.6
211.07440	4.3
213.01872	5.6
219.01128	12.3
221.05989	28.0
223.07486	10.9
225.05507	12.5
230.04518	2.5
231.02809	8.3
233.05920	7.2
236.03726	1.6
237.02151	42.3
237.04604	2.6
239.07037	10.8
241.01633	2.2
247.07579	2.1
249.05457	51.4
250.06226	3.3
251.07063	15.1
252.04250	2.4
253.04930	7.7
255.03151	3.3
255.06520	4.9
257.07858	1.7
259.06052	4.3
261.05414	2.5
267.03952	2.6
267.06549	23.9
269.04443	10.1
269.07990	3.1
277.04971	36.7
278.05478	2.4
279.06613	10.6
281.04510	8.4
288.21240	1.5
292.07233	1.3
294.04794	8.4
295.05994	100.0
296.06366	2.5
297.04224	1.6
297.07532	4.0
299.08896	1.9
305.04388	4.3
312.08646	5.2
313.07043	2.7
319.06128	3.0
319.41000	1.5
320.06894	1.5
321.07501	2.1
323.05499	79.4
325.01791	2.3
325.07053	1.9
337.08801	2.0
341.06607	11.5
347.05420	2.8
351.03116	2.2
357.07190	2.2
358.05801	2.7
365.06982	2.0
375.08508	5.7
379.02682	1.6
383.09094	10.4
411.08261	2.7
429.09882	2.1
441.09583	3.1
454.06439	1.7
486.11267	1.4
493.10989	1.4
504.12512	2.3
505.09122	2.1
521.10889	13.7
525.07031	1.8
549.08063	3.2
553.07068	2.3
559.06165	2.2
577.07977	48.3
594.10602	21.8
622.10065	38.6
660.11121	1.8
679.11432	2.8
680.10272	3.3
697.13446	2.2
715.13623	2.7
723.14972	7.6
733.12854	4.0
750.80725	1.9
751.14203	11.0
792.15741	6.9
820.14984	1.9
826.17761	8.1
836.78748	1.7
895.18451	23.9
949.19769	12.2
1024.23279	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	1026.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42235	1.0
71.81249	1.0
87.04465	34.7
91.05510	3.9
93.03450	1.3
95.04982	2.4
107.04994	2.9
109.06525	1.2
111.04446	7.9
118.06627	1.5
119.04980	2.6
122.03731	1.9
123.04458	4.1
125.06062	1.2
132.04532	1.5
133.02858	1.9
133.05302	2.0
135.04410	8.4
135.05193	0.9
135.06818	2.9
136.07629	1.6
137.02364	2.9
137.06023	1.8
139.03897	13.0
139.04810	1.1
141.05553	1.4
145.02464	1.2
145.54669	1.1
146.06073	2.0
147.04457	2.3
148.03932	10.1
148.04829	0.8
149.04794	1.0
150.03200	1.1
150.05574	1.5
151.03888	6.4
153.01830	1.4
153.05464	7.6
159.03233	2.0
160.04019	1.5
161.04712	1.2
162.05577	2.7
163.04001	3.4
163.06355	3.6
164.07021	7.8
165.01843	1.0
165.07080	1.3
167.03485	1.7
168.04243	1.0
174.05507	20.3
174.06937	1.4
176.07069	8.0
177.05516	1.6
178.05003	13.1
178.06389	1.2
181.05078	4.5
183.06525	62.3
183.62151	0.9
187.02585	1.5
187.04028	2.6
192.06548	72.1
193.06631	1.7
197.06104	1.2
202.04958	16.6
203.03455	1.2
204.06622	1.8
205.06502	2.3
206.08267	3.1
208.05910	1.4
213.02061	1.3
220.06071	8.8
221.05978	7.9
223.07549	6.6
225.05585	4.2
230.08109	1.7
232.09656	1.7
233.05933	5.9
238.07127	10.2
239.07179	4.0
242.97922	0.9
248.09218	1.5
249.05499	10.4
249.07872	1.0
250.10872	1.5
251.07013	9.3
253.04926	4.7
255.06735	1.6
255.52998	1.1
261.05463	1.1
266.10431	1.4
267.06686	5.0
269.08078	1.5
276.08774	2.8
277.04886	8.0
278.10226	34.6
279.06467	9.3
281.04297	1.2
281.10245	1.5
282.07877	1.1
295.05991	22.6
298.07220	3.0
298.10446	1.3
299.07916	1.2
305.04465	1.6
310.07028	2.3
312.08820	2.7
314.10419	3.4
323.05362	10.1
324.08536	2.1
326.10214	1.8
328.08228	2.5
337.06870	1.1
341.06241	1.3
342.09702	16.2
356.11493	2.2
358.09467	1.5
370.09131	2.3
374.12482	2.3
384.11078	1.6
402.11914	2.2
428.13892	1.7
429.14374	3.4
460.16040	26.2
488.15701	2.5
506.16638	1.6
519.89240	1.0
521.11127	2.9
560.12341	3.2
664.16595	13.9
710.15277	1.9
745.28815	1.3
844.20752	70.5
845.21448	3.0
846.22369	25.5
908.20105	3.8
994.23950	5.3
995.23773	1.5
1026.26587	100.0
1027.26807	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	1027.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
76.95672	0.3
83.95615	0.3
85.02874	0.4
87.80283	0.3
144.93394	0.4
154.98485	0.3
165.74814	0.3
167.97852	0.3
185.11639	0.3
191.39044	0.4
208.66696	0.4
255.05594	0.3
295.27570	0.4
433.32874	0.3
479.94678	0.4
591.86047	0.4
881.90112	0.4
1027.32007	100.0
1028.32080	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	1027.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01569	0.2
81.03419	0.3
83.04967	2.1
83.05366	0.2
83.96334	0.2
85.02901	3.2
89.03910	0.5
91.05485	0.7
92.70773	0.3
95.04969	0.3
102.90398	0.3
107.04963	0.3
111.04386	1.3
115.05504	1.2
117.03406	1.0
117.07012	2.4
123.04491	0.6
127.03903	0.3
129.05496	0.6
131.04958	0.3
131.36287	0.2
133.02646	0.4
135.04408	0.5
135.08095	0.5
137.06062	0.5
143.04919	0.6
145.02823	2.7
145.03766	0.2
145.06488	2.0
163.03902	0.8
163.07594	0.4
167.07031	2.5
171.06523	0.6
172.04994	0.5
175.07581	0.6
177.05486	3.3
177.09177	1.0
193.04726	3.7
195.06285	0.4
199.03757	0.4
205.08620	0.3
209.04184	1.3
211.05806	2.4
233.08002	0.5
235.77489	0.3
253.06877	0.8
271.07944	0.5
309.11316	0.4
315.08829	0.3
343.11511	0.4
345.09668	0.3
381.11832	0.3
387.10538	0.4
403.13791	0.6
406.33817	0.3
417.15259	0.5
441.13882	1.1
445.14728	0.4
519.16510	0.3
575.17963	0.4
597.18976	1.5
603.20154	0.5
617.18683	1.3
623.36316	0.3
633.21490	0.4
767.24860	0.5
797.25977	1.7
827.27039	2.4
829.25317	0.8
1027.34033	100.0
1028.33521	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	3.1
51.90849	0.7
53.03938	6.6
58.06584	1.9
58.98321	0.8
60.08158	4.9
60.95847	4.1
69.03419	0.9
77.03925	10.6
87.04451	1.2
90.55276	0.7
95.04961	40.4
102.04676	3.6
102.96837	1.2
103.05460	100.0
104.05803	2.8
104.10737	13.4
105.04501	14.9
120.97894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43705	0.2
80.01424	0.1
81.03427	0.2
85.02897	0.2
89.03905	0.2
96.82563	0.1
97.02886	0.2
108.08372	0.1
115.05457	0.2
117.03399	0.2
118.67895	0.1
123.04473	0.2
127.03906	0.2
128.06235	0.1
129.06999	0.1
135.04419	0.2
137.02345	1.6
137.03378	0.3
143.04881	0.1
145.02832	0.5
147.04309	0.2
149.02336	0.3
149.05981	0.2
157.06491	0.2
157.53551	0.1
161.06001	0.1
163.03903	0.8
165.01872	0.1
175.03905	0.2
175.07399	0.2
177.05470	0.7
185.05984	0.4
189.05479	0.4
209.16721	0.1
213.05453	1.6
216.04320	0.2
231.06464	0.6
241.04991	0.6
259.06055	0.3
263.38992	0.1
269.04364	0.3
287.05469	100.0
288.05759	1.4
295.05908	0.2
329.06277	0.2
373.58759	0.1
533.12567	0.4
577.11816	14.3
578.12036	0.4
625.15460	7.5
626.15857	0.2
698.22717	0.1
769.75354	0.1
831.03320	0.2
871.22760	0.3
915.21741	9.1
916.22406	0.3
924.30640	0.1
1030.36304	0.2
1039.24524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43705	0.2
80.01424	0.1
81.03427	0.2
85.02897	0.2
89.03905	0.2
96.82563	0.1
97.02886	0.2
108.08372	0.1
115.05457	0.2
117.03399	0.2
118.67895	0.1
123.04473	0.2
127.03906	0.2
128.06235	0.1
129.06999	0.1
135.04419	0.2
137.02345	1.6
137.03378	0.3
143.04881	0.1
145.02832	0.5
147.04309	0.2
149.02336	0.3
149.05981	0.2
157.06491	0.2
157.53551	0.1
161.06001	0.1
163.03903	0.8
165.01872	0.1
175.03905	0.2
175.07399	0.2
177.05470	0.7
185.05984	0.4
189.05479	0.4
209.16721	0.1
213.05453	1.6
216.04320	0.2
231.06464	0.6
241.04991	0.6
259.06055	0.3
263.38992	0.1
269.04364	0.3
287.05469	100.0
288.05759	1.4
295.05908	0.2
329.06277	0.2
373.58759	0.1
533.12567	0.4
577.11816	14.3
578.12036	0.4
625.15460	7.5
626.15857	0.2
698.22717	0.1
769.75354	0.1
831.03320	0.2
871.22760	0.3
915.21741	9.1
916.22406	0.3
924.30640	0.1
1030.36304	0.2
1039.24524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.6969
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05481	3.0
81.07043	3.9
83.04986	1.4
83.08626	0.7
91.05467	4.5
93.07041	5.1
95.04964	1.6
95.08601	6.8
97.06526	0.5
98.22686	0.9
103.05454	0.4
104.66891	0.4
105.07014	6.9
107.04980	0.5
107.08584	7.1
109.06515	1.0
109.10132	3.1
111.08083	0.6
115.05457	0.5
117.07012	1.6
119.08582	7.2
121.06519	1.4
121.10127	4.3
123.08063	1.1
123.11687	1.1
128.06226	0.7
129.07004	1.2
129.49825	0.4
131.08557	4.2
133.06471	2.0
133.10117	6.0
135.08043	50.3
135.11725	1.4
136.08321	0.4
137.09657	0.7
141.07021	0.7
142.07767	0.9
143.08525	2.6
144.09232	0.4
145.06511	0.4
145.10118	5.7
146.07294	0.6
147.08031	5.5
147.11700	3.2
149.09605	6.1
149.13283	0.4
151.11195	0.7
155.08565	0.7
156.09338	1.2
157.10130	4.0
159.08052	1.3
159.11703	4.9
161.09610	12.4
161.13278	1.5
163.11197	0.7
169.10138	1.3
170.11011	0.8
171.07979	0.5
171.11694	3.3
173.09587	1.9
173.13242	3.0
174.10370	0.6
175.11174	5.4
175.14816	2.1
177.12746	0.9
182.10938	0.5
183.11688	2.0
185.09660	0.6
185.13223	3.4
186.10318	0.7
187.11194	1.4
187.14783	2.3
188.11980	0.9
189.12737	1.6
189.16394	1.3
197.13278	1.5
199.11171	0.9
199.14812	1.5
201.12695	3.6
201.16463	1.4
203.14296	32.5
204.14616	0.7
205.15837	1.3
211.14833	0.7
213.12704	0.4
213.16339	3.1
215.14333	1.7
215.17935	0.5
217.15866	6.6
219.13832	0.8
223.14595	0.5
225.12700	0.5
227.14256	0.6
227.17838	0.5
229.15871	0.8
231.17409	5.6
239.54025	0.5
241.15857	0.7
243.17455	0.9
251.17920	0.6
255.17445	0.6
257.19058	0.7
267.17496	0.6
269.19089	1.4
333.22302	0.8
351.23364	0.9
392.50223	0.4
393.31418	0.5
403.29935	3.7
421.30991	15.6
439.32053	7.1
465.16861	0.5
481.33194	3.6
499.34143	100.0
500.34668	2.0
614.36957	0.4
711.35339	0.4
734.87878	0.5
1047.08276	0.4
1074.16272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.381
Annotation	Unknow
Peak:m/z	Relative Intensity
74.61610	1.7
79.05487	1.7
81.03414	4.5
81.07041	3.7
83.04974	1.8
83.08617	2.0
85.02895	40.7
87.04459	35.2
91.03989	2.0
91.05492	6.3
93.03403	1.9
93.07035	39.4
95.04994	2.3
95.08600	17.5
97.02883	50.7
97.06538	3.6
99.04501	3.2
105.04517	3.1
105.07051	3.0
107.04960	4.0
107.08582	20.8
109.02875	3.1
109.10148	65.8
111.04425	12.7
115.03918	74.0
121.10023	1.6
121.92786	1.6
123.04414	1.7
123.11729	2.0
125.13328	3.1
127.03912	8.5
131.04900	4.8
133.04958	54.9
135.04411	12.8
135.11679	73.5
137.02351	10.2
139.03897	30.9
143.04933	4.5
145.04959	11.8
145.05934	1.8
150.07623	18.3
153.12733	100.0
159.04454	3.4
159.11710	2.1
161.04382	2.0
163.03929	11.3
163.05988	3.6
165.07153	2.0
167.08542	2.8
169.04984	1.9
169.12242	3.2
175.03900	3.4
181.04948	35.9
181.06396	2.2
187.03935	8.5
187.06004	1.5
195.08099	5.5
197.05991	5.3
199.07639	2.5
205.04872	3.7
205.06544	7.5
211.07492	3.8
213.09125	4.4
221.06067	7.6
223.07524	31.0
225.05450	2.1
233.05936	10.2
239.07005	7.7
241.08627	5.8
249.05513	14.8
251.07043	18.2
253.04967	3.1
257.08084	2.3
259.08133	16.1
261.05609	2.1
261.14822	1.9
267.06534	6.9
267.15903	36.4
269.08014	11.0
277.04932	7.9
277.09305	3.1
279.06494	11.9
285.07590	7.4
285.16876	15.2
295.06042	14.6
295.10245	31.0
297.07550	4.9
297.13696	2.6
297.16940	42.0
304.21637	1.8
313.07056	14.6
315.18085	15.8
323.05438	3.2
331.08087	5.0
333.19189	3.2
341.02350	3.4
341.06522	64.3
359.07678	4.6
378.52878	1.6
429.20407	3.0
447.22153	3.2
482.25836	8.5
556.14276	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	1038.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04501	1.9
73.02915	8.9
73.19770	1.4
79.05478	3.2
81.03409	3.3
81.07050	3.8
83.08588	1.8
85.02901	41.4
87.04440	1.4
91.05467	7.0
92.30270	1.3
93.06451	2.1
93.07039	42.2
95.04982	2.0
95.08600	17.8
97.02889	14.1
97.06527	3.5
99.04425	1.9
100.85326	1.3
103.03919	1.5
105.07010	4.1
105.87341	1.5
107.04963	2.0
107.08592	22.7
107.09279	2.6
109.02856	5.1
109.10152	70.8
111.04427	12.8
115.03941	9.3
119.04916	1.7
119.08588	1.7
123.04408	3.6
123.11701	1.8
125.13228	3.5
127.03903	12.4
131.04913	4.1
132.06543	1.9
133.02802	2.4
133.04945	11.2
135.04401	10.4
135.11684	90.4
139.03886	23.9
145.04942	10.8
147.04382	3.8
149.05980	2.5
150.07564	4.7
153.12729	100.0
163.03899	11.8
163.05989	6.8
165.07076	1.5
167.08499	3.8
169.06483	1.7
169.12160	1.6
175.03906	31.0
181.03468	2.5
181.04955	28.8
181.06412	2.1
187.03877	1.9
193.06509	1.9
195.08092	7.0
197.05923	2.9
199.07535	10.2
211.07480	2.6
213.09102	3.0
221.05946	4.5
223.07530	4.1
225.05417	1.7
231.02881	1.6
233.05922	3.0
239.07042	7.3
241.08600	5.0
249.05482	2.6
249.14807	1.9
251.07004	4.7
259.08099	5.3
261.34415	1.5
267.06476	9.2
267.15964	5.4
269.07974	1.8
277.09286	3.4
279.06607	3.0
285.07465	8.8
285.16843	2.2
295.06000	13.2
295.10040	8.9
297.07553	2.1
297.16937	52.9
313.07037	20.8
315.08771	2.4
315.17999	20.0
323.05350	5.3
331.08026	8.3
333.19012	3.2
341.06503	6.5
359.07590	17.5
482.25827	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	1039.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05472	1.5
93.07053	1.3
95.04995	1.1
99.02322	0.7
101.06009	1.0
105.06998	2.1
117.07027	1.4
119.96677	0.8
121.26200	0.7
123.04193	1.5
124.63168	0.7
129.06972	1.2
131.08571	1.9
133.06462	0.9
138.44788	0.8
145.10121	2.6
155.08559	1.0
173.09564	2.5
186.10948	0.7
223.07193	1.6
223.09383	31.5
271.13031	8.4
293.17392	0.7
331.15115	100.0
332.15363	1.5
335.02441	0.7
405.81000	0.7
531.25598	63.8
532.26208	0.9
536.53796	0.9
583.35309	0.7
595.07117	1.9
757.47552	0.8
1034.57361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
72.47730	0.9
78.66657	0.8
79.05489	1.4
91.05483	2.3
93.07043	2.6
95.04973	9.0
105.07040	3.0
107.08607	2.7
109.06529	3.2
110.18226	1.0
117.06995	1.7
119.08586	3.0
123.04194	4.7
131.08569	2.1
133.06509	1.0
133.10100	1.6
135.08014	2.2
143.08566	1.9
145.10150	4.7
149.09657	2.0
173.09630	3.7
177.09006	1.3
223.09390	96.7
271.13025	36.1
331.15128	86.6
372.17581	1.3
459.54855	0.9
471.23477	1.4
527.92517	1.0
531.25604	100.0
532.25922	2.5
1039.54138	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18180	0.2
55.14374	0.2
58.06592	4.8
58.06868	0.3
59.07378	1.7
60.08159	49.3
61.08490	0.4
62.21396	0.2
65.80018	0.2
69.24967	0.2
70.47955	0.3
73.67651	0.2
86.09702	0.2
100.49222	0.2
103.99149	0.2
104.10734	100.0
105.11063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	4.6
59.07373	1.3
60.08160	47.2
61.08496	0.4
69.76056	0.5
69.76404	0.2
90.36119	0.2
91.59440	0.2
104.10736	100.0
105.11063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
75.36234	0.2
81.03413	1.4
83.04968	47.6
84.05307	0.5
85.02891	100.0
86.03227	0.5
87.00836	0.6
87.04446	1.0
89.03902	3.2
91.05480	0.6
94.99488	0.2
95.04962	0.3
97.02866	1.4
99.04445	0.9
101.06027	0.4
108.04435	0.5
109.02858	3.9
111.04426	31.9
115.62628	0.2
117.03363	7.2
119.04925	0.4
123.04421	0.2
127.03896	7.6
129.05460	13.4
134.03598	0.4
135.04396	0.8
139.03908	0.4
145.02827	18.3
148.95850	0.2
149.05962	2.1
151.07501	1.3
153.05432	2.9
163.03926	1.0
169.04909	0.7
171.06496	92.4
172.06844	0.6
177.05440	51.7
178.05763	0.3
179.07007	0.6
186.05508	0.5
187.05936	0.6
191.03322	0.3
193.08543	0.3
195.06514	0.4
213.03874	0.3
213.07524	0.3
218.80234	0.2
231.08595	10.8
259.09644	1.6
261.07474	0.5
277.10703	1.2
285.07465	0.5
303.08713	0.5
319.11703	0.5
321.09763	0.3
337.12766	0.4
363.10812	0.3
381.11725	15.3
407.13150	1.3
425.10864	1.0
454.52576	0.2
478.17328	0.2
513.17584	0.3
531.18292	0.6
551.17267	0.5
611.19550	6.2
629.16681	1.0
859.23633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03408	4.4
91.05478	2.8
93.03396	4.3
95.04987	1.7
107.04950	5.7
107.86228	1.6
111.04426	23.1
116.96911	1.3
117.03396	2.7
123.04424	10.1
126.25316	1.5
131.04897	3.1
135.04410	24.4
137.02333	100.0
137.03444	7.1
139.03896	36.5
143.74956	1.4
147.04369	8.7
148.24898	1.3
163.03868	15.6
165.07008	3.5
167.15498	1.6
175.03912	13.8
177.06987	1.8
181.04926	28.5
181.06400	2.9
187.03842	3.3
193.06506	3.1
203.03404	2.3
205.06485	4.4
211.07468	3.2
213.01787	4.3
218.22481	1.7
221.05931	17.1
223.07523	9.3
225.05402	2.6
231.02853	6.1
233.05992	3.5
239.06992	6.0
249.05437	43.5
251.07047	7.6
253.04939	2.5
255.06480	1.7
257.08090	3.1
267.06491	20.1
269.08093	5.8
271.06003	1.9
271.64584	1.6
277.04883	20.6
279.06461	3.3
285.07574	6.3
295.05978	42.0
297.07596	2.8
305.04526	1.8
313.07040	56.7
323.05432	48.2
341.06448	18.8
396.02850	1.6
399.08508	2.0
411.07291	4.6
427.08057	5.6
455.07336	5.8
493.10995	4.3
521.10748	47.9
555.43506	2.2
563.49927	1.6
653.12604	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	1048.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04460	3.6
77.03909	1.0
79.05484	2.5
81.03386	1.1
89.03923	6.5
91.05460	4.4
93.03391	3.6
95.04953	2.5
105.03378	2.6
105.04486	1.5
107.04958	8.4
109.02790	0.9
111.04432	20.5
115.46736	1.0
117.03366	4.2
119.04947	1.4
123.04418	87.6
131.04944	0.9
133.02841	2.8
134.03589	1.3
134.42894	1.0
135.04407	45.6
137.02341	10.5
137.05986	1.9
139.03891	36.6
143.04921	1.1
145.02815	3.0
147.04326	1.0
151.03886	1.6
153.05392	1.8
159.04399	1.2
163.03891	27.5
165.06961	4.5
169.06425	1.7
173.02342	40.6
175.03938	1.3
177.06950	1.2
181.04939	26.3
187.03883	5.0
191.03368	56.6
193.06447	4.9
197.05917	2.3
202.27174	1.0
203.03354	3.8
204.04156	1.5
205.04836	1.4
205.06505	2.4
209.04391	1.0
211.07643	1.8
213.01759	1.2
221.05946	12.8
223.07468	5.0
225.05463	3.6
231.02904	5.4
233.05865	3.0
239.07043	6.5
240.44266	0.9
243.06516	2.5
249.05473	21.1
250.06287	1.2
251.07166	5.7
252.04117	1.4
253.04961	3.4
255.06558	2.7
261.05399	1.5
265.05038	1.0
266.05725	1.1
267.06473	12.1
268.07300	1.0
269.04279	1.7
269.08078	3.0
271.05927	4.4
277.04907	13.9
278.05594	1.9
279.06595	6.6
281.04327	5.3
284.03159	1.3
285.07568	3.0
291.06436	1.3
294.05258	2.6
295.05991	100.0
296.06400	1.3
297.03989	2.2
297.07578	2.8
305.04398	3.3
306.05157	2.3
308.06934	0.9
313.07016	45.9
319.06058	4.0
320.77600	1.0
321.07492	1.6
323.05444	42.4
330.37326	1.0
331.08231	2.9
334.04355	1.0
335.05289	0.9
341.06464	7.6
347.05457	4.7
363.06454	1.0
365.06958	3.4
371.08078	2.0
381.07520	1.5
382.08383	1.5
383.09158	1.9
393.07016	1.1
397.07840	1.2
399.08578	1.9
400.09183	2.4
401.10172	2.5
409.07111	2.4
410.07632	1.4
411.08105	2.7
415.08569	1.1
427.08017	7.4
428.08853	3.2
429.09375	3.2
430.10571	1.1
445.08768	3.2
455.07425	2.7
456.08130	1.2
457.08997	2.3
473.08478	4.0
475.10107	1.3
493.11237	28.6
495.06970	1.2
521.10773	30.7
561.11127	1.2
589.10913	3.8
591.11310	1.2
607.12189	1.6
617.10846	4.7
635.12439	2.1
653.12811	13.1
654.13873	5.7
655.13922	3.0
671.13098	1.2
773.14532	5.1
787.17596	1.0
794.82147	1.1
797.14044	1.3
815.16162	10.1
852.18976	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03905	0.7
79.01854	0.4
79.05463	1.5
81.03406	0.9
82.79411	0.3
82.89259	0.3
89.03389	0.4
89.03904	4.8
91.05461	3.4
93.03393	3.2
95.04972	2.0
97.02898	0.7
98.23421	0.3
100.39066	0.3
103.05442	0.7
105.03362	1.0
105.04498	0.7
106.04122	0.3
107.01309	0.5
107.04258	0.4
107.04944	4.6
109.02841	0.5
111.04423	12.4
115.05414	1.0
116.91048	0.3
117.03372	3.7
118.04132	0.3
119.04920	1.2
121.02847	1.3
122.04749	0.4
122.06009	0.5
123.04414	18.9
125.02338	4.9
127.03846	0.5
131.04918	1.1
133.02826	2.7
134.03575	1.6
135.04401	22.6
137.01276	0.7
137.02336	13.0
137.03418	1.0
137.05951	0.4
139.03883	21.7
141.06963	4.4
145.02837	5.1
145.03917	0.6
147.04378	3.1
149.02307	1.7
150.03099	1.5
150.05508	0.7
151.03864	1.1
152.06155	1.1
153.07024	0.7
155.08525	0.4
157.02861	0.3
159.04362	0.9
161.02312	0.7
163.03883	51.9
164.04257	0.6
165.01926	0.3
165.06995	4.9
167.08546	1.4
169.06464	9.9
173.02296	0.9
174.40305	0.3
175.03867	1.0
176.04665	0.3
176.06126	0.6
177.05490	0.6
177.06966	1.1
181.04945	14.8
181.06418	1.3
183.08035	0.7
187.03847	3.1
187.07524	1.6
191.03354	4.7
193.06432	4.2
194.07211	0.4
195.08054	1.4
197.04208	0.6
197.05959	7.9
203.03323	1.9
205.04903	0.4
205.06494	2.5
209.04422	4.3
209.06122	0.4
211.07498	2.7
213.01796	1.6
213.05473	0.9
214.06111	0.4
215.06998	7.1
221.05942	12.5
222.06735	0.7
223.07500	5.5
225.05437	5.4
226.06123	0.3
231.02888	2.1
233.05910	1.9
237.05464	0.8
239.06978	8.2
240.07634	0.5
241.08600	0.4
242.05804	1.6
243.06491	2.9
249.05453	17.0
250.06157	1.7
251.06963	3.6
252.04192	1.4
253.04926	4.2
255.06516	4.0
256.07068	0.4
257.08109	1.2
259.03580	0.6
259.06192	0.4
261.05490	0.7
263.06946	0.4
265.04877	0.8
266.05673	1.1
267.06482	12.8
268.07242	3.6
269.04419	1.4
269.07880	1.7
271.05969	34.3
277.04922	14.3
278.05637	0.9
279.06494	3.3
281.04401	5.6
283.06033	0.7
284.03024	0.8
285.07501	17.0
293.04483	0.8
293.07751	0.4
294.05170	0.9
295.05975	39.4
296.06360	1.0
297.03961	0.9
297.07571	1.9
299.05606	0.5
305.04419	2.9
307.06198	0.4
312.06363	0.4
313.07013	23.1
314.07367	0.7
319.05881	0.6
321.03909	1.3
321.07419	0.4
323.05447	28.9
324.05865	0.4
325.07275	0.7
331.08090	7.9
337.07059	1.6
341.06586	2.9
347.05569	0.3
353.08020	0.7
355.07983	0.5
359.07767	0.4
365.06921	0.6
371.09064	0.9
381.07748	0.8
383.07880	1.7
387.08887	0.8
387.35962	0.4
399.08490	1.3
400.09750	0.8
401.09891	0.5
409.06946	0.8
410.07797	0.4
411.07849	1.4
427.08047	6.1
428.08478	1.5
429.09665	2.5
445.08923	0.6
447.10696	0.5
455.07431	2.7
457.09250	1.3
473.08408	2.2
475.10440	1.1
491.09857	0.4
493.11267	5.5
521.10657	10.5
522.10864	0.5
535.12726	0.4
543.09113	0.8
561.11584	0.7
579.13031	1.7
581.13092	0.7
597.13623	0.9
607.12616	1.8
611.11780	0.7
617.10474	0.5
625.13123	4.5
635.11963	0.9
653.12799	100.0
654.13013	4.1
658.52209	0.4
671.13947	1.0
851.17798	1.2
889.69861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03917	2.6
79.05477	2.6
81.03410	1.4
89.03909	11.7
91.05465	4.5
93.03386	6.4
95.04964	5.5
105.03367	2.5
105.04515	2.1
107.04939	11.4
109.02869	1.7
111.04431	33.8
115.05456	1.3
117.03366	8.6
119.04900	2.4
121.02834	1.8
121.59181	0.6
123.04415	100.0
125.02342	0.8
129.03305	1.2
131.04935	2.2
133.02832	2.3
134.03625	2.0
135.04401	62.6
136.05141	1.1
137.02342	15.2
137.03371	1.4
137.05965	1.6
139.03885	52.0
141.06960	1.9
143.04916	0.9
145.02827	5.1
145.03864	0.9
147.04391	3.1
149.02303	1.8
150.03154	0.9
151.03828	1.9
153.05446	1.1
157.02766	1.3
159.04422	2.2
160.05211	1.3
161.02357	0.7
163.03885	47.4
164.04167	1.0
165.06950	5.2
169.06477	2.2
173.02327	34.9
175.03883	1.7
176.06233	1.0
177.05515	1.0
177.06998	1.6
181.04950	30.7
181.06458	2.2
185.02507	1.0
186.03081	1.3
187.03874	7.2
187.64314	0.6
189.07025	0.9
191.03366	47.7
193.04999	0.8
193.06494	4.3
195.08054	0.9
197.05962	4.5
203.03302	4.9
204.04129	1.2
205.04863	1.4
205.06522	4.2
209.04361	3.0
210.06783	0.6
211.07553	2.1
213.01797	2.2
215.03458	0.9
215.06996	2.7
218.07278	0.7
221.05933	14.4
223.07567	6.8
225.05519	3.8
231.02792	7.2
233.05917	5.3
234.06706	1.1
237.05423	2.2
238.06247	0.7
239.06969	7.7
242.05734	1.6
243.06540	2.9
247.07468	0.9
249.05444	23.8
250.06206	2.1
251.07030	6.7
252.04247	1.3
253.04912	3.4
255.06451	3.7
261.05389	1.7
262.06277	0.8
263.07047	1.6
265.04971	4.0
266.05634	1.3
267.06473	14.2
268.07321	2.4
269.04550	1.6
269.08057	4.7
271.05984	7.1
272.80038	0.6
273.05377	1.6
277.04907	14.7
278.05762	2.2
279.06424	8.7
281.04440	4.4
283.06003	1.7
284.03403	0.6
284.06769	0.9
285.07520	8.5
289.04907	2.6
291.06454	1.4
292.07300	0.7
293.04410	2.4
294.05103	3.2
295.05975	87.9
296.06317	2.0
297.03958	1.6
297.07654	3.0
303.06461	0.7
305.04385	4.8
306.05191	2.1
307.05783	3.7
308.06622	0.9
309.07632	0.9
311.05472	1.6
313.07001	43.1
314.07776	1.2
317.04437	1.3
318.05365	1.2
319.05988	2.7
321.03842	1.5
321.07428	1.2
323.05450	38.3
325.08313	2.0
329.07852	0.6
331.08002	5.8
332.08664	0.9
333.03854	1.3
334.04816	0.8
337.08588	0.8
341.06430	5.7
343.09937	0.8
345.04037	0.8
347.05426	2.8
351.04935	11.0
353.07916	2.5
355.09479	1.1
357.06912	0.8
363.05524	0.9
365.07098	2.3
366.08292	0.8
369.06467	0.7
371.08374	2.9
381.07541	3.1
382.08426	1.0
383.08963	2.2
385.06937	0.9
387.08447	1.0
397.06992	0.7
398.07809	0.7
399.08539	3.8
400.09433	1.5
401.09985	4.1
409.06934	2.7
410.07666	1.7
411.08463	3.3
412.09262	0.7
413.06909	1.0
427.08075	14.9
428.08652	2.8
429.09604	4.3
438.06873	0.7
445.09122	6.9
447.10535	1.3
451.09863	0.8
455.07590	12.3
456.08221	1.0
457.09097	0.9
473.08603	15.5
474.09521	0.9
475.10281	2.2
481.09024	1.3
491.09772	1.3
493.11264	24.5
495.07907	0.9
503.10287	0.8
507.07394	1.2
521.10736	24.7
521.18561	1.3
561.11487	0.8
571.09991	1.1
579.12860	6.6
589.11212	4.1
597.13928	5.4
599.09729	1.0
607.12085	2.5
617.10767	4.3
625.13007	4.3
635.11371	2.7
653.12817	59.9
654.13257	5.1
655.14276	2.2
671.13763	2.2
773.15253	3.4
779.50568	0.7
797.14142	1.1
815.15723	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	1049.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
73.69602	0.8
75.98595	0.6
78.71936	0.6
78.99622	0.6
83.04967	4.7
85.02891	6.6
91.05478	6.3
93.03384	1.4
95.04990	1.6
98.00916	0.7
107.04992	2.0
111.04446	8.8
112.04813	1.0
117.03414	3.1
119.04924	4.7
123.04425	17.3
123.05254	1.3
124.04810	2.4
129.05525	2.0
129.23637	0.8
135.04408	10.9
135.05325	0.8
136.04794	1.4
137.02423	2.6
137.05978	0.9
139.03902	10.9
140.04259	2.2
145.02835	5.9
146.02216	0.7
151.07549	11.8
163.03886	12.5
163.05087	1.0
164.04321	2.0
171.06560	1.8
173.02321	3.7
174.02756	0.9
177.05469	8.1
181.04968	6.3
182.05426	1.0
191.03316	5.2
192.03821	1.2
193.04755	5.9
203.03398	1.1
209.04407	0.9
221.06110	2.0
223.07591	1.1
237.05409	0.7
239.06950	0.8
243.06584	1.6
249.05359	3.8
250.06035	1.2
251.07179	1.0
252.07349	0.8
253.07016	0.9
267.06610	2.1
268.07358	0.9
269.08273	0.8
271.06091	0.9
277.04956	1.7
279.06552	1.5
283.05991	0.8
283.24319	0.8
285.07584	1.5
293.04474	1.1
295.05988	11.3
296.06256	4.7
299.08984	0.8
305.04501	0.9
313.06976	4.4
314.07602	2.8
317.09824	1.5
323.05557	5.0
324.05997	2.9
351.05014	3.4
352.05377	0.9
359.11044	1.5
377.12332	3.1
381.11996	0.8
383.08618	1.1
391.15494	0.8
395.12961	0.9
399.08844	0.8
410.07996	0.9
427.08127	2.0
428.08679	2.4
429.09729	0.8
439.12320	3.1
446.09933	0.7
455.07861	1.5
456.08121	2.3
473.08752	2.6
474.09335	2.1
493.11743	1.0
494.12100	2.2
511.15753	0.9
521.11163	3.1
522.11365	2.3
571.17859	13.3
590.11975	0.8
590.72797	0.8
598.15143	0.9
599.17938	1.1
607.20483	2.0
626.13660	1.1
633.18323	2.7
653.12811	6.9
654.13281	12.9
741.23578	1.7
775.23566	2.0
801.25684	37.1
802.26172	1.3
819.23315	9.4
945.32574	0.9
963.30353	4.7
1005.32001	67.8
1006.32361	2.2
1049.30969	100.0
1050.30444	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	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.6
51.02367	1.8
53.03942	4.6
64.92788	0.4
65.03939	1.0
70.77505	0.5
71.92059	0.4
77.03921	5.8
77.04325	0.7
79.05485	51.7
80.05810	0.9
81.03391	0.5
95.04959	26.5
95.33067	0.4
96.05292	0.5
103.05454	31.8
104.05773	0.4
105.04517	11.8
105.07019	100.0
106.06541	2.0
106.07352	2.8
111.49943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01601	0.5
51.02171	0.3
51.02383	1.6
53.03938	4.0
54.42452	0.3
65.03936	1.4
69.74817	1.2
69.75166	0.4
77.03918	5.1
79.05489	49.6
80.05852	0.9
89.86744	0.4
95.04964	27.0
103.05463	30.6
104.05743	0.8
105.04522	9.5
105.07022	100.0
106.06553	1.6
106.07361	2.1
112.89935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01588	0.7
51.02369	1.5
53.03944	5.5
56.33165	0.5
63.16343	0.6
65.03935	1.6
77.03919	6.5
79.05486	49.1
80.05808	0.8
81.03410	0.7
93.11980	0.6
95.04961	25.8
103.04759	1.0
103.05457	29.9
105.04516	9.3
105.07018	100.0
105.11066	0.8
106.06546	1.5
106.07352	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01588	0.6
51.02373	1.5
53.03945	4.6
63.04030	0.3
63.54647	0.3
65.03939	1.1
67.16680	0.3
71.30390	0.4
77.03921	7.8
79.05487	47.0
80.05853	0.5
83.23135	0.4
95.04961	25.1
96.05318	0.5
102.04648	0.4
103.05460	30.9
105.04520	9.0
105.07021	100.0
106.06668	0.5
106.07352	2.3
116.11616	0.4
118.06525	0.5
123.73639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.02380	1.5
53.03945	4.7
65.03930	1.0
70.74424	0.5
75.41824	0.3
77.03921	6.6
79.05486	47.2
80.05815	0.3
81.03403	0.6
82.05666	0.3
90.49316	0.3
95.04961	23.5
96.05291	0.3
101.66369	0.3
103.05461	32.3
104.05753	0.3
105.04520	9.6
105.07021	100.0
106.06644	0.5
106.07354	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02372	1.6
53.03947	4.9
55.01868	0.6
58.55264	0.4
59.91161	0.4
65.03910	1.0
66.57714	0.4
71.22949	0.4
77.03922	6.3
79.05485	49.5
80.05809	0.7
81.03388	0.5
81.54002	0.5
86.65064	0.5
93.27055	0.4
94.96263	0.5
95.04337	1.0
95.04960	25.2
103.05456	31.1
104.05796	0.8
105.04527	10.0
105.07018	100.0
106.06664	0.6
106.07333	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	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02368	1.7
53.03939	5.6
53.94419	0.6
64.92793	1.4
65.03941	0.8
75.01114	0.6
77.03918	4.7
79.05483	50.4
80.05827	0.9
81.03366	0.6
88.68903	0.6
91.18893	0.6
95.04955	27.8
96.05280	0.7
98.23476	1.0
103.05456	33.5
105.04513	11.6
105.07015	100.0
105.11041	1.4
106.06532	2.1
106.07336	2.5
109.08853	0.6
118.06577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02371	1.7
53.03942	4.5
55.32308	0.5
61.88245	0.6
64.92787	0.6
65.03915	0.8
67.61745	0.5
69.88982	0.8
69.89334	1.0
71.35319	0.4
77.03919	4.7
79.05486	47.4
80.05807	0.5
81.03421	0.6
95.04962	26.5
96.05284	0.7
103.05463	29.9
104.05775	0.6
105.04518	11.8
105.07019	100.0
105.11058	1.2
106.06596	1.0
106.07355	2.8
118.06552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.6
51.02364	2.5
53.03940	5.5
54.09377	0.4
65.03931	1.5
73.63076	0.4
77.03919	6.3
79.05482	47.6
80.05800	1.0
81.03419	0.4
86.65633	0.4
95.04958	26.7
103.05456	29.6
104.05779	0.5
105.03386	1.0
105.04516	10.0
105.07014	100.0
106.06542	2.1
106.07342	2.7
117.72708	0.3
117.95386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01588	0.5
51.02367	1.7
51.70758	0.3
53.03722	0.5
53.03944	4.7
55.59931	0.4
65.03927	1.5
69.19010	0.4
71.43180	0.7
77.03918	4.5
79.05485	50.8
80.05831	1.0
81.74162	0.4
95.04057	0.6
95.04333	0.9
95.04960	28.7
103.05460	29.9
104.05762	0.4
105.04520	10.4
105.07020	100.0
106.06536	1.8
106.07359	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	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.1
53.03940	4.3
69.31191	2.7
77.03922	6.7
79.05486	51.9
89.21836	0.6
95.04961	24.8
103.05463	33.6
105.04517	10.0
105.07021	100.0
106.06674	0.6
106.07354	2.2
124.96311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.9
51.87842	0.7
53.03943	5.3
59.21944	0.6
64.92784	2.3
65.03931	1.3
77.03919	6.4
79.05484	50.2
81.03413	0.9
88.31308	0.7
95.04961	28.6
96.05296	0.7
103.05460	33.4
103.18519	0.7
105.04510	11.7
105.07018	100.0
105.11043	1.2
106.06554	2.9
106.07361	2.4
124.31934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01589	0.5
51.02370	1.6
53.03937	5.0
56.07946	0.4
62.25885	0.4
71.41167	0.5
77.03918	5.8
79.05485	53.3
80.05815	0.9
87.00819	1.6
95.04958	28.5
96.05305	0.7
103.05460	38.2
104.05761	1.0
105.04521	11.1
105.07019	100.0
105.11049	0.7
106.06540	2.3
106.07352	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	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01587	0.4
51.02374	1.0
53.03939	4.8
53.98644	0.5
65.03929	1.2
76.86330	0.4
77.03922	6.9
79.05483	48.0
80.05817	0.8
81.03393	0.5
82.61044	0.4
84.24940	0.4
95.04957	25.8
103.05456	30.9
104.05727	0.6
105.04510	11.6
105.07016	100.0
106.06535	1.7
106.07352	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01582	0.4
51.02372	1.3
53.03942	4.9
61.01897	0.2
65.03944	0.3
66.52493	0.3
75.40557	0.3
77.03921	4.6
79.05485	52.3
80.05806	0.7
80.20066	0.3
81.03401	0.7
81.73427	0.3
87.00820	0.6
94.05634	0.2
95.04960	29.3
96.05290	0.5
96.37589	0.2
101.25196	0.2
102.04682	0.3
103.05458	37.5
104.05769	0.9
105.04516	12.4
105.07018	100.0
106.06544	1.3
106.07348	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02369	1.6
53.03941	4.8
60.08117	0.6
61.08510	0.6
65.03941	0.6
77.03914	7.6
79.05486	49.2
80.05846	0.9
81.03404	0.8
87.00862	1.5
95.04959	27.7
103.05462	33.9
105.03416	1.2
105.04509	9.7
105.07020	100.0
105.11044	3.1
106.06547	2.5
106.07358	2.1
109.50237	0.6
118.26913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02362	1.6
52.87364	0.8
53.03945	5.6
65.03919	2.0
67.58030	0.9
67.65814	0.8
70.71712	1.1
77.03919	5.5
79.05487	51.0
87.00813	5.2
95.04960	26.6
103.05461	29.5
105.04520	11.1
105.07021	100.0
106.06544	2.4
106.07323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.6
52.87364	0.8
53.03945	5.6
65.03919	2.0
67.58030	0.9
67.65814	0.8
70.71712	1.1
77.03919	5.5
79.05487	51.0
87.00813	5.2
95.04960	26.6
103.05461	29.5
105.04520	11.1
105.07021	100.0
106.06544	2.4
106.07323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	1.3
51.02368	4.0
53.03944	14.4
54.21703	0.9
55.01850	1.1
62.13284	0.8
62.94035	1.0
70.23396	0.8
71.47982	0.9
73.07848	1.0
74.46978	1.0
77.03922	13.9
79.05482	49.8
81.03400	1.6
87.00824	3.9
88.72945	1.0
91.13192	1.0
95.04955	73.3
96.05269	1.7
103.05458	28.5
105.03400	18.1
105.04503	29.4
105.07015	100.0
105.11018	1.1
106.06556	2.8
106.07349	2.1
107.81612	0.9
123.28110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04459	1.7
80.67991	0.6
83.04973	15.2
85.02896	7.1
87.04465	2.7
91.05471	1.5
97.56212	0.6
99.04369	0.6
104.85194	0.6
111.04430	27.5
113.05984	9.7
115.03915	2.0
117.05470	6.0
119.04924	1.6
129.05464	39.3
150.34526	0.6
151.07516	9.2
153.05467	1.3
169.08600	1.5
171.06514	15.1
179.07039	0.8
189.07559	100.0
195.08498	0.6
217.15878	0.8
235.16876	1.8
238.64728	0.6
261.11307	1.6
273.09659	0.8
277.10730	0.9
279.12207	1.3
287.05441	0.6
333.11670	1.5
339.14343	2.0
395.80557	0.6
424.38599	0.5
428.94611	0.6
501.19092	0.7
848.04688	0.7
919.66174	0.6
977.67719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03427	0.3
83.04972	35.3
85.02895	100.0
86.03241	0.4
87.04463	0.8
91.05469	0.6
95.04923	0.2
97.02880	0.4
99.04436	0.6
101.05996	0.4
103.03913	0.3
111.04432	23.1
119.04902	0.6
127.03907	9.0
129.05470	11.0
136.67590	0.2
139.03856	0.2
145.02818	0.5
150.62933	0.2
151.07516	3.5
163.03883	1.3
169.08662	0.3
171.06506	84.1
172.06868	0.8
177.05492	1.0
179.07077	0.2
189.07558	79.5
190.07913	0.4
193.08549	0.3
206.10210	0.3
229.07195	0.2
235.09821	0.2
261.11261	0.4
322.28674	0.2
333.11746	23.1
339.14282	2.4
501.19547	3.6
536.23322	0.5
611.79480	0.2
612.88019	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
79.44865	0.5
84.96455	0.5
98.23447	1.2
103.68909	0.5
118.96404	0.5
227.74989	0.6
239.06776	11.9
347.12518	46.4
394.95432	0.6
547.22998	100.0
548.23083	3.0
592.34515	0.7
742.47583	0.6
823.32678	0.7
839.26270	0.6
1008.43915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05488	2.5
81.02955	0.5
81.03409	6.6
81.07036	1.2
83.08608	1.4
89.03906	15.4
91.04049	0.4
91.05477	1.7
93.07008	0.9
95.04956	3.2
95.08612	0.5
97.10121	0.4
105.04505	0.6
105.07018	1.5
107.04948	3.5
107.08598	0.6
109.06512	0.6
111.08086	0.6
117.03373	10.1
119.08597	0.8
121.10091	0.5
123.04415	1.2
129.06979	0.7
131.08611	0.5
133.10120	0.4
135.04404	23.3
139.03923	0.5
145.01674	0.7
145.02837	14.7
145.10161	0.5
147.08025	0.6
147.11681	0.8
149.05978	0.5
149.09625	0.4
157.06456	0.4
157.10081	1.2
161.05965	0.5
163.03888	100.0
164.04210	0.9
165.05394	0.4
165.06964	0.4
167.08568	0.4
173.05959	1.4
175.07562	0.5
175.11105	0.6
177.05402	0.6
181.04985	0.5
181.06448	0.9
185.05978	0.5
186.05463	0.5
187.07559	2.0
189.05487	0.7
193.12230	2.3
195.07976	0.4
197.05962	2.2
199.07513	2.8
199.66388	0.3
201.09116	0.4
203.07095	0.5
209.05859	0.5
211.07495	0.9
213.05397	0.7
213.09087	0.6
215.07011	1.2
225.05380	0.8
225.09071	0.5
227.07036	0.7
237.07538	1.2
243.06430	0.4
249.61479	0.3
263.12592	0.7
267.15887	9.0
281.15311	1.0
287.10229	0.4
291.13901	0.8
309.14807	2.1
313.14273	1.1
319.15451	0.8
327.15894	2.8
331.15356	0.9
337.14172	1.1
355.15344	2.8
373.16376	0.9
383.18347	0.9
401.19479	0.8
411.18546	0.7
429.19034	9.1
447.20279	1.8
465.20618	0.3
501.25449	0.4
519.26923	0.4
547.26971	0.4
575.29822	1.1
593.30664	1.5
603.29150	0.6
609.23022	1.7
611.32281	0.5
621.30457	1.5
627.24115	3.5
635.79578	0.3
639.31592	5.5
643.67590	0.4
657.32837	5.7
709.31506	0.7
801.34192	1.7
819.35803	8.1
837.37219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.3
51.02372	0.8
53.03735	0.3
53.03946	3.7
55.01869	1.9
65.03938	0.9
66.46046	0.2
69.85120	0.8
77.03923	3.6
78.44869	0.2
79.05486	13.7
80.05030	1.3
80.05819	0.5
81.03414	0.7
91.05482	5.1
95.04963	22.5
96.05315	0.3
105.04508	8.9
105.07001	1.4
106.06542	0.5
107.04948	100.0
107.08592	1.2
108.04487	0.9
108.05286	2.4
108.08121	1.5
109.00295	0.2
109.06499	0.9
109.36775	0.2
119.06062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01584	0.7
51.02375	2.8
53.00351	0.3
53.03939	11.6
53.04195	0.7
55.01868	1.4
64.95545	0.7
65.03928	0.8
77.03918	11.3
78.04271	0.4
79.05480	75.1
80.05003	4.6
80.05780	1.7
81.03410	1.9
91.05470	5.8
93.31074	0.3
95.04955	63.6
96.04476	1.0
96.05263	1.4
105.04501	27.8
105.07011	1.6
106.04820	0.8
107.04938	100.0
107.08556	1.5
108.04462	4.1
108.05261	2.2
108.08100	0.9
109.06492	0.9
119.06038	0.4
124.03938	0.4
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	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.34127	1.7
51.02385	3.0
51.29653	1.9
52.26741	1.5
53.03942	15.3
55.01869	6.3
65.03932	5.3
69.54675	6.2
77.03925	15.5
79.05491	52.5
80.05017	8.1
81.03420	1.6
91.05484	31.6
95.04963	65.3
97.70338	2.0
102.04178	1.7
105.04502	27.9
105.07031	7.3
107.04951	100.0
107.08590	10.4
108.04455	5.1
108.05199	2.9
108.08112	4.2
109.06536	5.1
119.06057	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	107.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.02369	0.9
53.03941	4.2
55.01864	1.5
65.03936	0.7
67.05481	0.4
70.58305	0.3
77.03927	3.2
79.05488	12.9
79.78578	0.2
80.05011	1.7
81.03404	0.6
91.04939	0.4
91.05473	6.3
95.04963	19.3
96.04545	0.2
96.05291	0.5
105.04511	8.3
105.07013	1.6
106.04851	0.2
107.04947	100.0
107.08575	1.9
108.04472	1.6
108.05278	2.3
108.08125	1.2
109.06493	1.2
110.05657	0.2
119.06062	0.8
120.92824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05485	3.9
89.03909	24.7
90.04230	0.7
91.05482	2.9
93.03396	3.2
95.04957	2.5
105.04467	0.7
107.04946	8.4
107.65306	0.6
111.04433	19.2
117.03369	16.8
119.04926	1.3
122.06037	1.1
123.04417	1.0
132.04465	1.0
134.05975	2.1
135.04404	44.7
136.03839	0.6
136.04739	1.3
137.02299	2.3
139.03888	32.9
144.04393	1.1
145.02843	18.7
150.05482	1.3
152.06140	0.7
162.05568	1.5
163.03888	100.0
164.04240	3.4
165.06976	4.4
168.08192	0.6
177.05441	1.9
177.06874	0.7
178.04974	8.3
181.04942	28.5
186.05405	0.7
187.03848	2.3
193.06467	2.6
195.08121	0.8
196.05965	0.6
197.05989	1.4
203.03351	3.1
205.06471	2.7
209.04301	0.7
211.07539	1.9
212.07085	1.0
213.01773	2.3
214.04958	1.5
221.05968	11.3
223.07594	4.2
224.07095	0.9
225.05463	5.2
225.07574	1.0
226.08528	1.1
228.06516	8.1
231.02817	2.6
233.05902	1.9
234.06955	0.8
237.05405	0.7
238.04985	1.6
239.07256	3.1
240.06509	4.5
241.07378	1.9
249.05455	14.4
250.06166	1.8
251.07114	3.2
252.04034	0.6
253.04936	5.9
254.08173	2.4
255.06509	2.4
256.05911	3.3
257.06787	7.3
261.05377	0.9
264.06708	0.7
266.08133	1.3
267.06573	7.3
269.22995	0.6
270.07715	0.7
271.05865	0.9
277.04932	11.8
278.05646	1.2
279.06473	4.6
281.04462	5.2
282.07675	1.7
284.05597	4.6
285.06271	9.7
295.05984	41.4
296.06271	1.2
297.07501	1.8
298.07050	0.6
300.08566	1.0
302.06628	2.1
303.07361	2.5
305.04428	1.3
310.07031	1.6
313.07056	3.3
319.07782	0.7
321.03998	0.8
323.05457	43.5
324.05774	1.0
328.08133	2.8
330.09717	1.0
341.06522	5.7
346.09058	1.6
356.07642	2.0
374.08704	6.5
392.09778	4.9
411.07266	0.9
447.10666	0.9
465.10226	1.0
493.11179	2.5
496.83054	0.8
508.12482	1.0
518.10797	0.7
521.10809	17.1
536.11603	1.2
554.12958	6.0
624.11169	0.8
625.12292	3.6
668.13666	1.9
686.15033	2.2
696.13300	1.1
714.14441	23.1
715.01910	0.7
715.13812	1.1
732.15125	2.6
823.16461	1.0
866.18042	1.0
876.17511	5.2
894.18109	1.4
912.01660	1.1
912.19470	19.5
1074.22412	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	1078.261
Annotation	Unknow
Peak:m/z	Relative Intensity
75.98719	0.4
77.03914	2.1
77.73058	0.5
79.05499	3.0
83.04961	1.2
89.03905	3.0
91.05467	7.6
93.03397	4.6
95.04960	7.5
98.23328	0.5
103.05458	1.0
105.03400	2.2
105.04487	1.1
106.91070	0.4
107.04942	7.6
111.04432	17.4
117.03350	1.8
119.04938	4.6
121.02892	0.4
121.06606	0.5
123.04418	35.4
124.50980	0.5
125.05978	2.1
131.04930	2.5
132.34882	0.4
133.02824	2.2
134.03607	1.0
135.04399	18.6
137.02338	2.1
137.05992	2.1
139.03888	30.3
140.04646	0.7
141.05460	0.8
145.02863	2.1
146.68991	0.4
147.04385	5.6
149.02335	0.7
150.03105	1.6
151.03853	2.6
151.05011	3.6
152.06090	0.5
153.05449	100.0
154.05788	0.5
159.04350	2.7
161.05891	0.6
163.03897	14.9
163.05273	0.9
164.04654	1.9
165.01740	0.5
165.05452	2.8
165.06865	0.8
166.06226	1.4
167.03377	4.4
169.06464	0.8
173.02336	20.1
175.03908	1.6
177.05493	2.4
177.06879	0.7
179.03363	0.8
180.04158	1.0
180.06624	1.1
181.04953	16.8
181.06458	1.2
182.05725	0.9
187.03850	2.2
189.05469	0.7
191.03369	95.5
192.03697	0.8
193.06470	1.2
193.22574	0.5
195.07968	0.8
197.05949	0.9
203.03433	1.2
205.04893	1.9
205.06525	1.1
208.05156	1.1
209.04323	0.7
209.05971	1.1
211.07538	0.9
212.04668	1.8
213.01747	0.6
213.05428	1.0
219.02832	0.6
220.05092	0.6
221.05943	5.0
223.03851	0.5
223.07532	4.0
224.04637	1.4
225.05473	2.8
226.06252	0.8
227.07060	0.8
231.02823	2.4
233.05939	1.7
234.05226	3.3
236.04697	2.2
237.05489	3.3
238.06204	1.3
239.03389	0.6
239.07014	1.9
240.04155	2.5
249.05449	9.1
250.06175	0.9
251.07002	5.5
252.04109	1.5
253.04962	3.4
254.05698	1.7
255.06508	6.4
259.72354	0.4
261.05365	0.8
264.04245	2.0
265.04919	3.5
266.05716	2.0
267.06516	4.0
268.03632	0.9
269.04361	0.7
269.08032	2.8
271.06006	1.8
273.07825	0.5
277.04950	6.3
278.05746	0.8
279.06500	7.3
281.04477	3.0
281.07336	0.6
282.05252	1.5
283.05939	5.1
284.06613	0.7
285.07651	0.7
293.04407	2.4
293.07428	0.4
294.05145	2.7
295.05966	16.3
296.06168	0.5
297.03995	1.3
297.07568	5.4
298.08163	0.6
299.09378	0.7
301.07010	0.5
305.04431	1.3
307.06039	2.8
309.07730	0.4
310.04739	5.6
311.05374	0.5
313.06998	2.4
315.08551	1.6
323.05450	18.8
325.07028	66.1
326.07629	0.6
328.05505	0.9
341.06378	2.6
343.08087	30.7
361.09052	1.0
365.06689	0.5
371.07535	9.7
377.06506	1.3
389.05167	0.4
393.06213	0.9
411.08133	1.0
427.08060	0.7
431.11197	1.3
457.09052	2.8
458.09683	0.5
459.10443	1.1
467.07449	0.5
475.10199	1.6
485.08707	1.5
486.09402	0.8
493.11133	1.9
503.09583	4.4
504.10449	0.9
505.11185	0.7
521.10718	14.4
522.10626	0.5
523.12305	75.4
524.12531	0.8
531.09100	1.2
573.08093	0.4
591.12085	0.7
619.12274	0.6
637.14087	0.6
647.11353	1.1
653.12286	1.2
655.15082	0.8
658.16180	0.6
665.12891	1.2
683.13898	14.1
684.03363	0.7
684.14655	10.2
701.14966	4.2
702.15680	1.1
723.13281	0.8
803.15686	1.3
845.16565	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03910	2.3
79.05497	3.5
81.03412	0.8
83.04925	0.7
85.02921	0.5
85.34965	0.4
89.03883	3.5
91.04946	0.5
91.05468	7.3
91.43971	0.5
93.03395	3.5
95.04961	6.6
103.05421	0.9
105.03391	2.3
105.04509	1.1
106.04088	0.5
107.04939	8.2
111.04429	20.6
115.05390	0.8
117.03350	2.0
119.04935	5.0
121.02876	1.0
121.06484	0.5
123.04414	37.8
125.05981	1.8
126.03113	0.5
131.04900	2.1
133.02823	1.9
134.03604	1.0
135.04401	25.7
137.02328	4.5
137.05984	2.2
139.03883	38.0
141.05428	1.2
141.06989	0.7
145.02832	3.1
147.04391	5.4
149.02345	1.5
150.03094	2.4
151.03859	3.1
151.05043	3.4
152.04668	1.1
152.06241	0.5
153.05449	100.0
159.04378	3.4
161.05946	0.5
162.05516	0.6
163.03886	21.1
164.04666	1.5
165.05455	3.8
165.06990	2.2
166.06194	1.5
167.03374	3.6
167.07089	0.4
169.04958	2.4
169.06374	0.8
173.02322	19.9
175.03915	2.1
177.05496	3.1
177.06860	0.9
179.03403	0.6
180.04182	0.7
180.06651	0.9
181.04942	21.4
181.06384	1.2
182.05684	0.9
185.02376	0.5
187.03888	1.5
189.05370	0.9
190.06169	0.5
191.03366	88.6
193.04929	3.2
193.06505	1.5
195.08012	1.1
197.05946	1.2
199.07512	0.6
203.03366	2.9
205.04890	1.5
205.06566	2.2
208.05177	1.1
209.04405	1.4
209.06107	1.1
210.06775	0.5
211.04039	0.8
211.05960	2.9
211.07602	1.1
212.04640	1.7
213.01785	0.7
213.05287	1.0
219.02725	0.9
221.05952	7.0
223.07541	5.0
224.04773	0.7
225.05469	3.9
226.06213	0.8
231.02844	4.0
233.06236	2.2
234.05153	2.2
235.07605	0.5
236.04564	2.3
237.05388	4.4
238.06061	1.1
239.03285	0.6
239.07060	2.9
240.04150	2.3
241.04913	0.6
243.06525	1.1
249.05472	10.9
250.06161	1.1
251.06978	6.3
252.04149	1.5
253.04916	3.0
254.05688	1.7
255.06488	6.4
261.05499	0.8
263.06995	0.7
264.04095	1.8
265.04898	3.1
266.05600	2.1
267.06522	6.5
268.03662	0.9
268.07141	0.5
269.04251	0.7
269.08057	3.6
271.05942	1.8
277.04974	7.2
278.05630	0.6
279.06491	7.4
281.04376	4.2
282.05157	1.5
283.05945	4.2
285.07483	0.8
285.37872	0.5
287.09216	0.8
293.04486	3.0
294.05103	2.6
295.05988	23.2
296.06699	0.8
297.03958	1.9
297.07590	5.4
298.08380	0.6
299.09006	1.0
301.07141	2.9
305.04395	1.8
306.05356	0.5
307.05978	3.7
309.04004	0.5
310.04697	5.9
311.05579	0.7
313.06894	3.3
315.08597	6.3
323.02435	0.4
323.05457	28.8
325.07022	62.3
326.07477	1.1
328.05801	1.0
341.06503	4.3
343.08087	36.1
349.06946	0.5
351.04926	1.0
361.09158	3.2
363.05344	0.6
365.06531	1.1
371.07605	10.2
377.06448	1.3
393.06137	1.0
395.07733	0.7
397.07144	0.7
411.07791	1.9
415.08301	0.9
427.07919	1.5
429.09500	2.0
431.11267	1.0
440.08850	0.6
445.08810	0.7
447.10370	0.6
455.07614	1.0
457.09418	3.1
458.09637	0.6
459.10376	0.7
467.07352	1.2
473.08810	1.3
475.10394	2.0
485.08258	2.1
486.09464	1.7
487.10233	0.5
493.11142	3.2
503.09747	4.3
504.10449	0.8
505.11105	1.0
507.07297	0.6
521.10724	21.2
523.12305	74.6
524.12537	1.7
531.09229	1.0
591.12598	0.8
609.13843	1.0
619.12305	0.6
637.13013	0.8
647.11877	1.2
653.12543	1.3
655.14105	3.4
659.24518	0.5
665.12805	1.4
683.13885	16.0
684.14575	9.0
685.15344	0.5
701.15002	4.3
702.15234	1.4
705.11829	0.7
724.69885	0.6
819.18805	0.7
845.16742	2.0
863.18225	1.0
881.18439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1080.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03918	1.6
79.05489	5.1
81.03393	1.4
81.07047	1.2
89.03914	16.8
91.05462	7.1
93.03387	5.9
94.04169	2.3
95.04953	3.2
98.23527	1.1
105.03400	1.1
105.04508	1.1
107.04951	10.7
111.04435	29.4
117.02584	0.7
117.03372	11.6
119.04942	2.5
122.03645	1.2
123.04425	13.9
127.03863	1.3
133.02855	7.3
135.04405	49.0
136.04788	0.8
137.01482	0.4
137.02338	27.4
137.03471	2.3
137.05966	19.8
139.03894	37.9
145.02840	13.6
145.03937	1.5
147.04431	1.5
150.03128	4.3
150.05498	0.8
151.03918	6.1
153.05441	2.8
157.02870	3.5
157.03949	0.8
163.03893	100.0
164.04245	0.8
165.05478	47.8
165.06935	2.4
166.06247	17.4
169.06413	0.8
179.03456	0.9
181.04953	19.3
181.06415	1.2
184.93573	0.7
185.02296	1.9
187.03903	2.6
193.06491	1.5
203.03378	1.2
205.06563	1.6
213.01833	1.4
219.04332	0.8
221.05977	6.8
223.07512	1.3
225.05434	1.7
231.02939	2.1
233.05974	2.4
237.05383	3.3
239.07007	2.6
246.06799	0.9
247.04301	0.7
249.05455	21.3
250.06183	2.1
251.07030	2.5
253.04974	2.1
255.06572	1.3
261.05484	1.9
262.06454	0.7
263.06625	1.0
265.04874	6.2
266.05795	1.4
267.06506	11.0
268.07016	1.2
269.08060	0.8
271.05994	2.3
277.04968	12.1
278.05719	3.6
279.06259	3.6
281.04382	2.0
285.07590	0.9
289.04868	2.9
291.06519	2.3
293.04401	8.9
294.05225	3.8
295.05997	26.0
296.06363	0.8
303.57098	0.7
305.04495	2.2
307.05917	1.3
311.05475	1.5
313.07056	3.0
317.04416	2.9
321.03925	3.0
323.01746	1.4
323.05487	19.4
325.08621	1.8
326.07535	0.8
331.08038	1.8
335.05362	0.7
337.07169	0.8
341.06519	4.6
343.08020	1.4
345.09479	0.8
350.75723	0.7
351.04837	1.2
351.08646	2.8
353.08136	3.9
363.05399	0.8
369.06027	1.2
371.09259	1.9
381.07455	3.5
399.08554	3.1
401.10172	0.8
409.07138	1.2
411.08069	1.2
417.45953	0.7
427.08118	19.0
428.08887	1.4
429.09634	2.0
445.09177	2.6
455.07413	2.1
459.10510	4.0
461.12564	3.9
473.08615	14.4
487.10095	6.0
491.09637	2.6
493.11108	2.7
505.11301	13.7
521.10748	21.6
543.08923	2.0
548.81311	0.7
625.13086	2.6
653.12885	33.9
654.13763	1.1
671.13934	4.7
685.15479	46.1
686.15436	2.0
690.09357	0.9
736.18964	0.8
842.80609	0.8
847.14081	0.9
851.18390	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	1084.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03917	0.4
79.05038	0.2
79.05486	4.0
81.03397	0.2
81.07041	2.2
81.81299	0.1
83.04932	0.1
83.08593	0.3
85.06560	0.2
89.03904	17.3
90.04287	0.1
91.05471	1.5
93.07031	2.0
95.04956	1.7
95.08595	1.7
97.06519	0.1
97.10174	0.2
103.05457	0.2
105.04507	0.6
105.07005	0.9
107.04938	3.0
107.05663	0.1
107.08587	1.2
109.06461	0.1
109.10164	0.6
110.82907	0.1
112.58781	0.1
115.05463	0.3
117.03362	13.7
117.07025	0.3
119.08603	0.7
121.10094	0.7
123.04427	0.6
123.11697	0.3
128.06165	0.1
129.07002	0.3
131.08528	0.3
133.10085	0.5
135.04396	24.5
135.11693	0.5
136.04689	0.2
137.05940	0.2
137.09596	0.1
139.03876	0.2
141.06946	0.5
141.21440	0.1
143.08488	0.2
145.02831	15.7
145.10027	0.2
147.04320	0.2
147.11649	0.3
149.05969	0.3
149.13252	0.4
153.06979	0.4
155.08530	0.2
157.06497	0.3
158.06020	0.3
159.11626	0.3
161.05931	0.6
161.13228	0.2
163.03877	100.0
163.14783	0.2
164.04192	0.9
165.05481	0.2
165.06943	0.3
167.08528	0.5
169.06461	0.4
171.08038	0.2
173.05945	1.6
173.13229	0.1
175.07559	0.4
179.08438	0.3
181.06422	1.1
183.08037	0.3
185.05956	0.5
186.05431	0.4
187.05920	0.2
187.07506	1.5
189.05386	0.3
191.07008	0.1
191.08540	0.1
193.10162	0.2
193.12131	0.2
195.08107	0.6
197.05942	1.2
199.07521	2.2
201.05484	0.3
201.09009	0.2
203.07091	0.2
207.08084	0.3
209.05890	0.2
209.09572	0.1
211.07495	0.7
213.05412	0.5
213.09067	0.6
215.07039	0.6
217.04939	0.4
221.09593	0.2
223.07512	0.3
225.05434	0.5
225.09029	0.5
227.07063	0.4
235.07481	0.2
235.14786	0.2
237.07455	0.7
239.10637	0.2
243.06413	0.3
243.20969	0.3
245.13136	0.2
259.20505	0.2
259.42902	0.1
261.22107	1.0
263.14261	0.4
265.12146	0.1
273.12497	0.2
281.15320	0.8
283.13190	0.2
285.14795	0.1
291.13635	0.5
299.16324	0.2
309.14789	2.6
313.14127	0.1
317.24686	0.3
325.14319	0.3
327.15863	3.1
329.13745	0.4
333.24023	0.2
335.25763	5.9
337.14270	1.5
339.15976	0.2
345.16895	0.3
355.15332	1.0
357.16693	0.1
365.17450	0.2
373.16486	0.7
383.18640	0.6
385.16367	0.3
399.17630	0.2
401.19550	0.9
411.18063	0.5
419.20740	0.1
423.25037	0.5
429.19012	1.1
432.88684	0.1
447.20007	1.6
465.20990	0.3
497.28946	5.4
498.29742	0.1
515.29327	0.1
563.23303	0.2
569.36237	0.2
587.37140	0.2
609.23309	1.5
615.36334	0.2
627.24243	4.6
628.24823	0.1
643.39606	0.3
661.40900	0.8
679.41193	0.3
689.39575	0.4
707.41418	2.4
725.42358	3.2
869.42896	0.4
887.45630	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
75.60519	0.1
77.03929	0.3
79.05484	4.4
81.03398	0.2
81.07042	2.9
81.96126	0.1
83.04980	0.1
83.08614	0.3
86.64534	0.1
89.03903	17.0
89.18050	0.1
91.05471	1.9
93.07030	2.8
95.04959	1.9
95.05531	0.2
95.08012	0.2
95.08592	2.3
97.06541	0.2
97.10147	0.2
105.04499	0.6
105.07014	1.1
107.04943	3.0
107.08581	1.4
109.06516	0.1
109.10143	1.1
111.04465	0.2
111.08072	0.2
114.86961	0.1
115.05440	0.2
117.03362	12.9
117.06991	0.4
118.03643	0.1
119.04943	0.1
119.08555	0.7
121.06487	0.1
121.10121	1.0
123.04401	0.3
123.08046	0.1
123.11690	0.3
125.09653	0.1
125.11557	0.1
128.06206	0.1
129.07002	0.4
131.04932	0.2
131.08548	0.5
133.10110	0.6
134.74759	0.1
135.04396	24.7
135.11656	0.7
136.04776	0.1
137.05997	0.3
139.03893	0.2
141.06958	0.3
143.08566	0.2
145.02829	15.3
145.10118	0.4
146.03165	0.1
147.04344	0.1
147.11674	0.4
149.06000	0.3
149.13248	0.3
153.06953	0.4
155.04842	0.1
155.08470	0.2
157.06476	0.3
157.10094	0.1
158.06000	0.2
159.07961	0.1
159.11671	0.3
161.05942	0.6
161.13219	0.2
163.03877	100.0
164.04254	0.5
165.05431	0.3
165.07004	0.3
167.04942	0.2
167.08525	0.2
169.06410	0.5
171.08014	0.3
173.05939	1.8
173.13284	0.3
175.07570	0.3
179.08511	0.2
181.04919	0.2
181.06471	0.9
182.07246	0.1
183.08035	0.4
183.11714	0.1
185.05917	0.4
186.05455	0.6
187.07516	1.7
187.14722	0.2
189.05414	0.3
193.06433	0.2
193.10143	0.2
195.08118	0.4
197.05942	1.8
197.09550	0.2
198.06659	0.1
199.07497	2.1
199.09244	0.2
201.05447	0.6
201.09114	0.3
203.07011	0.2
207.08052	0.3
208.08702	0.1
209.06142	0.1
211.07521	0.7
213.05440	0.5
213.09030	0.5
215.06996	0.8
216.97276	0.1
217.04884	1.0
219.08092	0.1
221.09508	0.3
223.07550	0.2
225.05423	0.8
225.09055	0.3
226.06122	0.1
227.06941	0.5
227.10510	0.1
229.04889	0.2
229.08380	0.1
235.11168	0.1
235.14883	0.2
237.07463	1.2
239.07086	0.2
239.10533	0.2
241.19415	0.1
243.21071	0.3
245.13083	0.1
247.11021	0.1
255.13887	0.1
259.20563	0.3
261.22137	1.1
263.14233	0.4
265.12097	0.1
273.12802	0.2
279.13794	0.1
281.15329	0.8
283.13177	0.2
283.16794	0.1
285.14487	0.1
291.13721	0.6
299.16055	0.1
301.14337	0.1
309.14789	2.4
311.12683	0.3
311.16180	0.2
313.14352	0.1
317.24683	0.2
319.13168	0.2
325.14444	0.2
327.15869	2.4
327.19565	0.2
329.13708	0.7
333.24103	0.1
335.25754	8.4
336.26205	0.1
337.14331	1.5
337.18250	0.2
337.50925	0.1
339.15762	0.1
345.17050	0.2
355.15359	1.0
363.25369	0.1
365.17480	0.1
373.16418	0.5
383.18439	0.6
385.16428	0.8
392.73038	0.1
393.16797	0.1
395.25757	0.1
399.18271	0.1
401.19479	0.8
403.17346	0.2
411.17972	0.7
419.20477	0.1
423.25201	0.4
429.19022	1.5
447.20065	1.6
470.32690	0.1
497.28952	5.1
551.34637	0.1
553.20135	0.1
563.22375	0.3
571.97302	0.1
581.23798	0.2
591.21783	0.1
609.23309	1.4
615.36761	0.1
627.24286	3.1
643.40057	0.2
645.37201	0.1
661.40924	1.1
663.38574	0.3
671.39722	0.2
679.41858	0.5
689.40466	1.0
707.28992	0.2
707.41357	3.0
725.42407	3.5
774.94763	0.1
869.44928	0.6
887.45569	3.8
888.46234	0.1
958.65167	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	1086.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05487	1.0
89.03911	9.3
91.05479	0.8
93.03405	1.2
95.04951	1.3
107.04945	3.5
111.04427	5.4
117.03384	5.7
135.04398	15.9
137.02310	0.9
139.03899	7.5
145.02859	5.8
163.03889	22.8
165.07098	1.1
198.09286	1.2
205.06537	1.4
210.09109	1.1
212.07184	1.5
213.07910	1.2
214.08650	1.4
221.05951	3.7
223.07594	3.4
224.07001	4.4
225.05533	1.5
225.07788	1.5
226.08580	6.2
226.10483	0.6
227.05731	0.8
227.09418	1.5
228.10274	2.7
233.06102	1.4
236.07095	1.6
238.08649	1.9
239.07249	1.2
240.06519	6.4
240.10283	1.0
241.07411	3.0
242.08093	1.8
249.05411	6.2
251.07069	1.4
252.06522	5.0
253.05052	1.5
253.07510	2.6
254.04486	0.9
254.05426	1.2
254.08128	13.7
255.05173	2.2
255.08987	2.9
256.09668	12.5
264.06647	1.2
264.10638	0.9
266.08270	2.9
267.06592	2.6
267.09058	1.9
268.09628	7.0
269.07001	3.0
270.07574	9.5
277.05011	3.1
278.04984	0.7
279.05554	2.8
280.06189	2.5
281.06848	1.5
282.07648	4.5
283.08481	2.9
284.09146	46.1
285.06772	0.9
285.09723	1.4
290.04419	0.8
293.07037	1.0
294.07736	2.9
295.05908	7.4
296.09296	2.3
297.06442	2.5
297.09909	1.4
298.07111	8.2
300.08752	1.0
308.05646	1.3
310.07230	1.7
311.07913	1.4
312.08624	63.7
313.09250	2.0
321.04010	2.4
322.07205	2.5
323.05688	1.7
324.08829	1.5
326.06717	2.3
327.07236	1.3
330.09726	5.0
340.08118	18.0
342.09946	1.8
344.07587	8.8
358.09167	23.6
368.07773	2.1
386.08783	2.6
388.10516	1.1
404.09909	3.1
597.96954	0.8
652.14563	5.0
680.13843	9.3
698.15045	2.6
708.14130	1.1
726.14447	70.8
727.14838	2.3
728.16864	1.1
744.15277	6.3
878.18481	2.6
906.18188	7.5
924.19690	100.0
925.19623	5.4
1086.21265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1086.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05446	1.0
81.03402	0.5
85.07528	0.3
89.03913	9.6
90.04202	0.4
91.05431	1.6
92.24030	0.3
93.03407	2.3
95.04932	1.1
100.89649	0.3
105.53224	0.4
107.04378	0.4
107.04951	4.1
111.04430	8.2
117.02592	0.5
117.03373	6.3
117.06742	0.3
118.18407	0.3
119.04893	0.5
128.94524	0.3
135.04407	20.1
137.02330	2.9
139.02881	0.8
139.03894	14.5
141.06894	0.4
145.02837	5.9
149.02313	0.4
153.05437	0.9
163.03893	34.5
164.04211	0.5
165.06976	4.5
167.07228	0.8
168.08029	0.5
171.06628	0.4
177.06981	0.7
180.08018	0.4
181.03473	0.5
181.04951	6.0
181.06427	0.3
183.06831	0.5
184.07495	0.7
187.03813	1.2
189.89195	0.5
193.06461	3.0
195.08173	0.4
196.07448	0.7
197.06018	0.9
198.09099	1.5
199.06297	0.4
203.03320	1.7
205.06491	1.3
209.08319	0.5
210.09122	0.7
211.07465	1.2
212.07019	1.5
213.01794	0.8
213.07770	1.4
221.05957	14.0
223.07455	2.4
224.07033	6.4
225.05431	6.8
225.07748	1.6
226.08598	5.5
227.05753	0.9
227.09311	1.0
228.10240	2.9
231.98488	0.4
233.05962	2.2
236.07094	1.0
237.07851	1.1
238.08629	1.4
239.07159	3.3
240.06529	7.3
240.10164	1.5
241.07231	2.1
242.08142	2.0
249.02861	0.7
249.05450	13.4
250.06047	0.8
251.05785	3.0
251.06927	2.0
252.06517	6.2
253.04893	5.0
253.07335	2.8
254.04474	1.1
254.08092	20.0
255.05281	0.7
255.06416	0.8
255.08797	3.4
256.09674	13.4
259.03864	0.7
261.05374	0.6
262.05060	1.7
263.05756	0.9
264.06509	1.8
265.07333	0.4
266.05084	0.4
266.08124	2.2
267.06503	5.8
267.08905	0.8
268.06256	1.0
268.09650	4.9
269.06699	3.1
269.10315	0.4
270.07565	3.1
271.08466	0.5
277.04932	13.1
278.05203	1.3
278.08224	0.6
279.06052	3.1
279.09070	0.7
280.06055	5.7
281.04178	1.8
281.06851	1.1
282.07574	7.8
283.08347	4.5
284.09146	57.4
285.09521	1.1
290.04425	1.8
291.05121	0.6
293.07031	0.5
294.07761	2.4
295.05972	30.6
296.05746	1.7
296.09268	2.6
297.06451	2.9
297.09811	0.7
298.07114	3.5
298.10330	0.7
300.08621	1.1
305.04181	0.8
308.05475	3.4
309.06500	0.6
310.07095	0.6
311.07895	3.3
312.08624	99.1
313.09479	2.0
321.03885	1.1
322.06989	1.2
323.05411	11.5
324.08762	2.0
326.06653	1.5
327.07312	0.6
328.08234	0.6
330.09720	2.7
336.05072	0.6
340.08133	45.2
341.06509	1.3
341.09128	0.6
342.09540	2.1
343.10455	1.5
344.07599	7.2
344.11642	0.7
358.09177	37.6
359.09720	1.2
368.07700	6.4
373.07828	1.0
386.08667	8.0
388.10339	0.9
404.09744	11.3
493.11505	0.6
520.12207	2.9
521.10614	4.1
548.11810	6.4
566.12872	10.4
654.15698	0.5
680.13934	2.3
698.14209	2.0
700.17194	0.7
708.13354	0.8
726.14441	47.4
727.14929	2.9
744.15540	6.9
878.19415	2.4
888.17554	12.7
888.34442	0.8
889.17950	0.8
906.18811	6.3
907.19183	0.6
924.19702	100.0
925.20209	6.4
1068.21375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05485	2.6
81.03418	1.3
81.07043	3.4
81.07481	0.2
83.04988	0.2
83.08630	0.3
85.02899	3.2
85.06551	0.2
89.03918	0.7
91.03947	1.9
91.04442	0.2
91.05463	1.7
93.07030	2.7
95.04956	0.8
95.08597	2.9
97.02882	3.5
97.03465	0.2
97.06588	0.2
97.10152	0.2
98.23219	0.3
99.04465	0.6
101.02367	1.3
105.04562	0.3
105.07034	0.9
107.08597	1.6
109.02921	0.5
109.10138	1.1
109.74643	0.2
115.05440	0.2
117.03399	0.3
117.07028	0.4
119.08625	0.7
123.04423	0.2
123.11706	0.3
127.00417	0.2
127.03900	0.9
129.05499	0.2
129.07083	0.2
131.08617	0.6
133.10175	0.5
135.04457	0.8
135.11737	0.5
138.80531	0.2
141.07065	0.2
145.02916	0.5
145.10098	0.4
147.11662	0.4
149.05966	0.2
159.11697	0.2
161.05995	0.2
161.13239	0.2
163.03889	2.6
163.05080	0.2
164.04301	0.5
173.05922	1.2
175.07591	0.4
178.54456	0.2
185.04282	0.4
187.07597	0.6
199.07582	0.5
199.48782	0.2
201.09177	0.2
203.05307	0.4
243.08403	1.2
301.20209	0.2
327.16281	0.2
335.25967	0.7
356.34833	0.2
369.16519	0.4
379.60657	0.2
385.16324	1.1
413.15759	0.7
431.16644	1.2
441.18817	0.3
497.31177	0.3
519.29193	6.1
537.29706	0.3
587.24579	0.8
593.19684	1.3
603.24042	1.4
631.23212	0.7
649.24768	0.5
765.41443	0.2
811.27362	0.3
865.46930	9.2
881.46375	6.0
882.45831	0.2
909.45807	7.9
927.46759	6.0
928.46045	0.3
1089.50122	100.0
1090.50208	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	1089.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
76.63334	0.2
79.05485	2.9
81.03429	1.2
81.07052	2.8
83.08636	0.6
85.02901	3.0
87.04482	0.3
89.03934	0.9
91.03944	2.0
91.05479	1.7
93.07043	2.4
95.04996	0.8
95.08588	2.4
97.02882	3.8
97.10207	0.4
98.23293	0.8
99.04495	0.3
101.02370	1.5
102.02771	0.3
105.07056	0.8
107.08604	1.4
109.02928	0.4
109.10182	0.7
115.03883	0.3
115.05476	0.3
117.03404	0.8
117.07039	0.3
119.08634	0.7
121.10168	1.2
123.04464	0.4
127.03913	1.3
131.04938	0.3
131.08620	0.7
133.10155	0.5
135.04411	1.3
135.11685	0.5
145.02901	1.0
145.10123	0.5
147.11737	0.3
149.05992	0.6
159.11800	0.3
161.06071	0.8
163.03886	4.4
163.05112	0.4
164.04288	0.5
165.04442	0.3
173.05957	1.9
181.06546	0.3
184.07268	0.4
185.04294	1.1
185.05821	0.3
187.07661	1.1
189.05478	0.4
199.07652	1.0
201.09221	0.5
203.05377	0.5
209.71103	0.3
211.07643	0.6
213.09184	0.4
215.07101	0.5
225.09177	0.4
233.31496	0.3
243.08379	2.4
243.10605	0.3
251.99713	0.3
259.07980	0.4
301.20444	0.6
301.85849	0.3
315.10724	0.4
335.25998	0.7
366.83316	0.3
369.16235	0.3
385.16299	1.0
413.15948	0.5
431.16833	1.1
441.19858	0.3
519.29187	4.9
519.36267	0.3
587.24402	1.7
593.20172	0.5
603.24103	2.9
613.22034	0.4
631.22632	1.7
649.24561	0.6
662.31812	0.3
719.41760	0.3
811.27386	2.0
865.46783	7.7
881.46411	6.2
909.45966	8.7
927.46533	6.3
1089.50159	100.0
1090.49878	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	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03941	1.0
55.05256	0.9
55.05504	11.5
58.38853	0.4
65.03939	4.4
67.05495	100.0
68.05826	1.8
69.07058	7.7
69.38822	1.1
69.39209	1.1
79.05486	9.9
80.06246	1.3
81.03423	0.5
81.07046	34.2
82.06583	1.4
82.07368	0.7
84.29990	0.5
91.05470	1.3
94.07810	1.7
98.23445	1.0
105.07015	0.5
107.08565	3.8
109.06492	1.4
109.07644	4.1
109.10143	45.7
110.06025	7.5
110.10456	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03938	2.4
54.82206	0.5
55.05508	9.0
58.83651	0.4
65.03930	5.5
66.04713	0.4
67.05499	100.0
68.05845	1.4
69.07059	5.4
69.15549	2.3
79.05487	15.7
80.05834	0.5
80.06281	1.2
81.03409	0.7
81.07048	41.7
82.06571	1.1
82.07377	0.9
91.05477	5.4
94.04173	5.9
94.07822	1.5
95.04961	0.6
105.07030	0.5
106.30057	0.4
107.04936	2.3
107.08578	3.7
109.05756	0.6
109.06514	18.2
109.07637	4.2
109.10146	39.1
110.06041	6.3
110.06744	0.8
110.10474	1.4
111.04477	0.8
127.56429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.05505	9.7
65.03927	5.0
67.05499	100.0
68.05818	1.0
69.07059	7.5
69.38994	4.0
79.05485	8.2
80.06252	1.1
81.07048	31.8
82.06569	3.4
88.97153	0.8
91.05497	1.4
94.07813	1.1
105.07021	0.9
107.08566	3.9
109.06512	3.0
109.07632	10.9
109.08400	1.5
109.10140	43.3
109.89285	0.8
110.06032	19.7
110.10480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02376	0.5
53.03940	9.9
55.01862	1.9
55.05505	9.1
55.05780	0.3
64.41617	0.2
65.03933	4.9
65.91808	0.2
67.05497	100.0
68.05845	1.2
68.40885	0.3
69.07060	5.2
69.64264	0.6
78.43078	0.2
79.05486	10.5
79.09422	0.2
80.06259	1.2
81.03412	14.7
81.07050	28.8
82.03767	0.6
82.06585	0.4
82.07391	0.7
91.05477	1.9
94.04186	1.0
94.07817	1.2
94.11808	0.2
94.52148	0.2
105.07031	0.4
107.04945	0.4
107.08580	2.3
109.02100	0.2
109.02869	5.6
109.06513	7.4
109.07617	1.1
109.10146	31.9
110.06050	2.8
110.06762	0.4
110.10474	1.2
118.94910	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03944	5.5
55.01867	0.8
55.05507	11.7
65.03938	4.4
65.14328	0.3
67.05499	100.0
68.05833	1.8
69.07062	7.2
69.75357	1.4
70.19307	0.3
79.05485	14.2
80.05019	0.4
80.06280	1.1
81.03412	6.6
81.04533	0.3
81.07050	38.5
82.06583	1.9
82.07387	1.0
86.77132	0.3
87.82497	0.4
91.05457	2.1
93.07040	0.5
94.04193	1.8
94.07817	1.9
95.04956	0.8
98.23439	0.5
107.08592	3.6
109.02851	2.3
109.06516	14.0
109.07647	2.5
109.10145	57.3
110.06049	5.8
110.06793	0.6
110.10488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77193	0.3
53.03942	6.0
53.88720	0.3
55.01860	0.9
55.05506	10.0
63.44568	0.3
65.03934	5.0
67.05498	100.0
68.05826	2.0
69.07063	6.8
69.17390	1.7
79.05038	0.7
79.05484	9.5
80.05838	0.5
80.06270	1.3
81.03410	8.7
81.07048	29.2
82.06573	1.0
82.07376	0.7
91.05452	1.3
94.04162	0.6
94.07806	1.3
95.04957	0.5
105.04490	0.3
105.07009	0.7
107.08587	2.9
109.02852	2.6
109.06513	2.7
109.07653	2.1
109.10145	40.1
110.06037	4.5
110.10480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.95475	0.3
53.03938	2.3
54.45844	0.2
55.01870	0.3
55.05508	9.8
55.05782	0.5
65.03941	4.3
67.05499	100.0
68.05824	1.7
69.07063	5.6
69.07441	0.3
69.15647	1.3
70.57056	0.2
72.00654	0.2
79.05489	11.4
80.05847	0.3
80.06266	1.2
81.03413	2.6
81.07050	31.7
82.06565	0.4
82.07388	0.6
91.05482	1.6
94.04176	0.5
94.07816	1.1
95.04963	0.4
98.23508	0.4
105.07012	0.5
107.08588	3.4
109.02881	0.9
109.06514	7.5
109.07645	1.1
109.10148	37.7
110.03653	0.6
110.06040	1.8
110.10490	1.0
119.06116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03944	11.4
53.04198	0.6
53.57279	0.3
53.60287	0.3
54.04270	0.4
55.01872	1.5
55.05507	9.7
61.13541	0.3
65.03942	4.6
67.05499	100.0
67.49258	0.3
68.05824	1.6
68.83617	0.3
69.07066	6.1
79.05487	12.3
79.05949	0.7
80.06271	1.5
81.03410	15.1
81.07050	30.6
82.03748	0.3
82.06564	0.8
82.07369	0.4
91.05465	1.5
93.04518	0.3
94.04163	0.6
94.07822	1.5
95.04974	0.7
105.07048	0.4
107.08598	3.9
109.02875	5.4
109.06516	5.7
109.07639	1.9
109.10147	40.3
110.06048	4.7
110.10498	1.4
124.65759	0.3
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	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02409	0.4
53.03946	2.8
55.05511	8.7
65.03938	4.8
67.05502	100.0
68.05832	1.6
69.04195	0.5
69.07059	5.8
77.71050	0.5
79.05489	8.0
79.87710	0.5
80.06282	1.3
81.03420	2.5
81.05361	1.0
81.07053	29.2
82.06580	2.0
91.05464	1.2
94.07816	1.1
97.75401	0.6
107.08597	3.6
108.77277	0.6
109.04797	0.7
109.06505	1.8
109.07659	7.2
109.10151	37.0
110.06043	14.1
110.10458	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1094.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03928	0.5
79.05492	1.8
81.03412	0.7
84.39523	0.4
89.03925	2.6
91.05478	3.6
93.03400	9.5
95.04960	1.2
98.23500	1.1
105.04511	0.7
107.04948	8.0
109.02901	0.5
109.12009	0.4
111.04433	26.5
117.03371	1.7
119.04964	1.7
123.04434	0.9
135.04401	27.6
137.02350	7.9
137.03372	0.8
137.06004	1.3
139.03886	44.1
145.02815	0.9
163.03889	17.9
165.06992	0.7
181.04936	26.1
182.05457	0.6
189.07161	0.4
214.16823	0.4
218.58478	0.4
221.06041	1.6
223.07617	0.4
233.06056	1.3
241.10097	0.6
245.06035	0.6
249.05569	2.7
251.08794	0.7
252.09590	0.4
261.05432	1.0
263.06924	0.8
265.05029	0.8
267.06595	0.7
269.09714	1.0
273.05420	1.1
277.05042	1.6
278.05939	0.5
279.08441	2.2
280.08902	0.6
281.04495	0.9
281.09808	0.8
284.08316	0.6
289.04990	1.6
291.06717	1.4
293.04568	0.7
295.05859	3.2
297.09100	3.1
300.04248	0.4
300.07932	0.5
305.04422	1.0
307.07578	3.4
308.08347	0.9
309.09027	1.9
313.07404	1.3
315.10214	0.8
317.04614	1.7
318.05310	0.9
319.06024	1.5
319.08737	0.7
321.09265	0.6
323.05429	4.4
324.07791	0.8
325.08594	6.3
326.09244	0.9
327.09958	0.7
329.08160	1.8
335.07001	2.7
337.08588	4.0
338.09253	0.5
339.06421	1.2
341.07510	0.7
342.08932	0.6
343.09683	1.8
345.03918	2.9
346.04684	1.2
347.05396	2.7
349.04691	0.6
352.07361	0.7
353.08047	14.6
354.08743	1.1
355.09616	3.0
357.07495	2.3
363.05573	2.6
364.07321	0.6
365.08032	3.8
366.08826	0.9
367.06003	0.7
368.06686	0.6
369.07523	0.6
370.08551	0.5
371.09073	5.6
373.03418	8.0
380.06522	0.5
381.07544	14.9
382.07980	2.1
383.09161	5.9
385.06900	3.4
387.08609	0.7
391.05255	2.2
393.07590	2.4
395.05106	0.5
397.07077	1.2
399.08514	9.3
399.13058	0.6
401.10269	0.7
403.24930	0.4
409.07056	12.6
410.07849	2.0
411.08615	7.0
413.06482	10.2
415.08090	1.6
421.06946	1.0
426.07285	0.7
427.08084	26.7
428.08817	1.6
429.09848	2.5
431.07962	0.6
437.06494	7.7
438.07254	0.7
439.08145	4.6
441.06061	6.4
455.07562	45.3
456.08142	1.6
457.09229	3.1
465.06354	1.0
473.08643	2.0
482.28265	0.5
483.07086	42.0
484.07385	1.1
485.08533	0.5
501.08118	10.9
521.10590	2.2
571.08478	4.4
635.11829	0.6
653.12775	4.8
663.11279	1.5
671.14050	1.5
681.12311	100.0
682.12646	5.5
699.13031	2.1
783.59064	0.5
879.17456	7.5
1011.59296	0.6
1052.77112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
78.00886	1.5
79.05463	1.9
85.18063	1.7
85.20622	1.4
89.03904	15.9
91.05459	6.9
93.03397	10.7
95.04959	3.7
107.04939	17.6
109.06973	1.8
111.04435	47.7
116.79962	1.5
117.03365	10.9
119.04926	3.4
122.21716	1.3
123.04424	6.2
132.91594	1.5
135.04399	62.8
137.02353	4.6
137.05945	2.2
139.03885	94.9
145.02827	11.9
163.03883	100.0
165.07010	3.7
181.04941	61.2
187.03909	5.0
193.06499	5.4
197.05984	2.3
203.03387	6.9
205.06499	4.0
211.07585	2.1
221.05940	24.7
223.07469	4.7
225.05415	11.6
231.02898	4.8
233.05983	2.2
239.07010	7.8
249.05461	23.9
250.06107	4.2
251.07024	6.3
253.04919	9.7
255.06512	4.1
267.06467	14.8
269.04532	2.6
269.07990	2.1
277.04904	23.8
278.05417	3.7
279.06549	9.8
281.04422	11.8
283.06058	2.0
295.05978	75.9
296.06390	3.5
297.07446	4.6
305.04401	3.9
313.06973	7.1
314.06854	1.5
323.05469	87.0
324.06006	2.1
325.06741	1.8
341.06573	9.3
377.10135	2.1
389.28494	1.7
411.07483	5.4
429.09732	2.5
439.08051	3.0
457.09076	6.9
473.12314	1.9
475.10388	3.0
485.08569	6.0
493.11057	9.6
503.09409	5.2
521.10730	94.0
522.10797	2.6
608.83350	1.9
665.12604	3.1
683.13367	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	1096.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
83.31846	1.0
89.03930	2.2
91.05469	3.9
93.03387	8.5
98.22718	1.2
107.04930	9.5
111.03672	1.5
111.04434	28.9
111.05170	2.2
117.03431	1.5
117.25492	1.1
135.04407	34.3
137.02348	2.3
137.05898	1.8
139.03888	55.4
139.04976	2.6
163.03897	16.8
165.06970	3.0
181.04944	39.8
187.03891	2.8
193.06444	3.3
203.03358	4.3
205.04753	1.4
205.06468	1.6
211.07498	2.7
213.01859	1.7
221.05952	13.1
223.07581	2.6
225.05469	6.1
231.02867	3.3
233.06003	1.7
239.07054	5.1
249.05426	16.1
251.07074	3.9
253.04860	5.7
255.06581	2.8
259.03751	1.7
267.06494	10.2
277.04996	15.5
278.05402	1.4
279.06485	4.2
281.04370	7.4
284.02982	1.3
295.05994	39.4
297.07547	1.6
305.04404	3.5
313.06961	3.6
323.05457	58.9
324.06030	1.6
341.06601	7.1
365.06729	1.4
411.07129	3.2
493.11270	8.0
503.09683	2.2
521.10736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03892	1.9
91.05479	3.7
93.03410	9.1
107.04931	8.7
111.04428	30.4
119.04879	1.8
135.04399	43.2
137.02306	3.8
137.05994	1.6
139.03883	73.0
158.23561	1.4
163.03885	15.8
165.06989	2.4
181.04936	43.9
193.06471	3.4
203.03412	6.6
205.06454	4.0
211.07527	2.2
213.01764	2.7
217.85715	1.4
221.05933	15.6
223.07536	3.2
225.05453	7.7
231.02846	5.0
233.05943	2.5
239.06969	6.7
249.05463	16.9
250.06337	1.6
251.07053	4.1
252.04120	2.1
253.04955	5.4
255.06537	2.1
256.62448	1.4
267.06439	12.0
271.05942	1.8
277.04950	20.4
278.05649	3.2
279.06451	4.9
281.04468	9.4
295.05969	56.5
296.06381	2.6
297.07495	3.7
305.04324	5.0
313.07056	6.7
323.05463	70.0
324.05753	2.0
325.06937	1.7
341.06577	5.2
411.07004	2.9
417.37546	1.4
444.04922	1.5
472.65799	1.4
493.11252	9.3
521.10748	100.0
531.61182	1.5
1121.51892	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03908	0.3
79.05481	1.6
88.14104	0.1
89.03907	14.0
91.05469	0.3
93.03386	0.2
93.21179	0.1
95.04960	1.0
105.04510	0.5
107.04943	2.8
111.04426	1.0
117.03368	11.7
118.03719	0.1
119.04905	0.2
123.04398	0.8
135.04401	23.9
136.04686	0.3
137.02325	1.7
139.03891	2.0
145.02835	13.8
146.03166	0.2
147.04372	1.1
163.03883	100.0
164.04210	1.2
165.01874	0.2
165.06972	0.8
175.03860	0.4
177.06911	0.2
181.04936	1.3
181.06432	0.2
183.08017	0.2
186.05443	0.3
193.06371	0.6
197.05963	0.3
205.06480	0.3
210.06685	0.2
211.07516	1.2
221.05939	6.0
222.06244	0.1
223.07520	0.5
225.05489	0.4
231.02791	0.3
238.06192	0.2
239.06987	3.1
249.05440	11.6
250.06070	0.3
251.07033	0.5
253.04922	0.3
256.07281	0.3
257.08026	0.9
266.05704	0.2
267.06485	4.5
268.07132	0.2
269.08102	0.5
277.04938	8.1
278.05530	0.3
279.06500	0.7
283.05905	0.3
285.07498	1.2
295.05978	23.4
296.06482	0.3
297.07349	0.2
313.07019	16.0
314.07523	0.2
323.05493	0.9
331.08228	0.3
341.06531	9.3
359.07562	9.8
361.09064	0.8
365.06552	0.1
383.08075	0.2
385.07303	0.2
386.07581	0.2
411.07260	0.6
430.11963	0.2
454.56015	0.1
457.09045	0.3
475.10004	0.3
493.11459	0.8
503.09207	0.3
521.10785	1.6
539.11743	1.5
683.13306	0.2
857.19928	0.1
1125.93677	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	1099.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
84.75761	0.4
89.03899	2.2
116.99210	0.4
117.03323	0.8
123.04413	1.2
132.26357	0.4
135.04416	1.8
135.75735	0.5
137.02333	1.3
145.02840	1.3
163.03925	5.1
165.06960	0.7
169.06442	0.5
187.03828	0.4
197.05756	0.5
205.06549	0.9
210.09122	0.5
211.07501	0.6
221.05948	1.9
223.07480	1.5
225.05405	0.7
226.08617	1.6
233.06010	1.0
236.07002	1.4
237.07767	0.7
239.07063	0.9
240.10147	0.8
249.05426	1.6
251.07069	0.6
252.06563	1.3
254.08038	0.6
255.06390	0.6
262.05042	0.6
264.06442	0.6
266.08063	1.1
268.09702	1.2
277.04974	0.6
278.08090	0.9
279.06323	1.2
282.07767	0.6
284.09293	0.6
292.06006	0.5
294.07678	1.1
295.05899	3.2
295.08575	0.4
296.09052	0.5
298.10635	0.8
302.08148	0.5
304.05972	1.1
306.07407	0.6
318.11264	0.7
319.11975	1.7
326.10236	1.2
328.09610	0.7
329.10321	0.6
330.11047	1.1
331.08212	0.5
331.12000	0.5
332.09137	0.7
332.12787	0.9
333.13498	0.5
334.07202	0.4
334.10782	2.3
335.11450	0.7
340.09515	0.7
342.07498	0.8
342.11136	1.0
343.12119	0.5
344.09018	1.2
344.12943	0.7
345.09924	4.4
346.10544	2.9
347.11484	1.3
348.08572	0.8
348.12241	3.6
349.12997	1.6
353.10156	0.8
354.10132	0.5
356.09055	2.6
357.09814	0.7
358.06720	0.5
358.10645	2.3
359.11539	5.1
360.08511	1.5
360.12354	1.1
361.12994	1.2
362.10089	2.6
362.14014	1.8
363.10788	1.9
368.09161	1.2
370.10748	1.8
371.07797	1.5
372.08499	1.1
372.12579	0.8
373.09354	1.4
374.10184	5.9
375.10938	2.4
376.11850	3.6
377.12579	6.3
378.13150	1.4
379.08353	0.8
381.09628	0.6
382.06598	0.8
384.08484	1.6
385.09378	6.0
386.10168	2.4
387.11084	2.8
388.12009	2.9
389.12289	1.1
390.09055	0.9
390.13754	2.4
391.14053	1.6
396.08658	1.8
398.09991	1.4
400.11661	1.3
402.09351	3.9
403.10403	3.3
404.11316	1.9
405.12262	3.2
406.12814	7.8
410.10193	0.6
412.07767	0.6
413.08762	1.7
414.09680	1.7
415.10590	1.1
416.11267	2.6
417.12088	3.6
418.12869	3.2
419.13864	4.0
420.14267	1.5
426.09872	0.6
427.10638	0.5
428.11353	2.6
430.08481	0.7
431.09747	1.8
432.14639	0.8
433.11243	0.7
434.12332	17.7
435.12918	0.6
438.10391	0.5
441.08237	0.8
442.09012	0.7
443.09625	0.7
444.10486	0.9
445.11584	7.0
446.12317	1.2
447.13501	2.3
448.13885	8.1
449.14716	4.7
456.10562	0.6
461.15128	0.6
462.11841	9.0
463.12338	0.6
472.10126	0.9
473.11118	4.2
474.11615	0.5
476.13428	4.5
477.14154	38.6
478.14352	0.7
490.11029	1.0
501.10330	0.8
504.12814	0.7
505.13632	27.3
506.13879	1.4
523.14777	2.7
533.13000	5.6
551.14008	0.9
685.17419	1.2
863.19818	2.4
891.19855	16.9
892.19647	0.5
919.19604	5.6
937.20819	2.6
1071.04333	0.5
1071.24341	6.2
1099.23682	100.0
1100.23535	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	1104.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05485	3.7
81.03426	0.8
86.64266	0.6
89.03905	29.1
91.05471	6.3
93.03391	8.0
95.04958	4.4
100.16503	0.5
103.05437	0.6
104.15224	0.5
105.04496	1.3
107.04945	15.8
111.04432	35.6
115.05434	0.7
117.03368	17.2
119.04905	2.1
120.04455	1.2
123.04404	2.4
131.04895	1.5
133.02838	1.0
135.04401	62.9
137.02322	4.9
137.05957	2.3
138.05492	0.7
139.03885	60.6
141.07031	0.7
143.39580	0.5
145.02840	15.6
145.03903	0.6
147.04381	1.8
148.03915	2.7
148.64311	0.6
152.07170	0.6
153.05434	1.3
158.05962	1.1
159.04425	1.4
162.05504	1.7
163.03886	100.0
164.07068	1.5
165.06976	11.1
169.06485	1.3
170.06035	0.8
174.05531	1.2
175.03893	1.0
176.03415	0.5
177.05508	0.7
177.06969	1.6
178.05003	0.6
180.06627	0.8
181.04941	42.0
181.06361	2.3
183.07999	1.1
186.03105	0.7
186.05458	1.7
187.03900	5.4
188.26764	0.6
190.04976	0.9
192.02936	0.6
192.06502	1.7
193.06465	6.5
194.07422	0.6
195.02925	0.7
195.07994	0.6
196.05157	0.5
197.05991	2.6
198.05484	1.4
198.09236	0.9
199.06168	0.7
200.06995	2.0
202.08588	1.2
203.03345	9.7
205.06427	5.8
208.06053	4.5
209.04448	0.8
210.05383	0.7
211.07578	3.2
212.07062	1.8
213.01816	3.8
213.07797	0.8
214.04930	1.2
214.08502	0.7
215.05737	1.6
216.06537	2.4
218.79211	0.5
220.05240	0.6
221.05954	31.7
222.06555	0.8
223.07536	8.0
224.06990	0.8
225.05493	13.3
226.05037	2.1
227.05756	1.2
228.06522	6.1
229.07240	3.1
230.08061	2.1
231.02768	4.9
233.05983	6.5
237.05479	1.1
239.07062	8.8
240.06538	1.3
241.07251	1.0
242.04382	1.2
242.08092	4.4
243.09111	0.6
244.06082	2.3
249.05453	32.5
250.06311	3.0
250.08473	0.8
251.07045	7.8
252.04210	2.9
252.06548	1.1
253.05019	12.5
254.04427	3.6
254.08189	1.4
255.06363	3.4
256.06052	1.2
256.09631	1.8
257.06757	3.1
258.07587	13.0
259.03937	1.4
261.05496	2.6
266.05615	1.3
266.08173	0.8
267.06497	18.2
268.06155	2.9
268.09631	1.1
269.04309	0.9
269.07782	0.8
270.07642	6.4
271.05911	2.0
271.08505	0.9
272.05460	2.6
272.09070	1.1
277.04926	30.0
278.05634	3.0
279.06500	11.6
281.04419	8.7
281.07370	0.7
282.03934	1.8
284.03091	1.7
284.09201	2.1
286.07092	16.5
286.10345	0.9
287.07910	3.2
288.08536	1.4
294.05136	2.1
295.05978	76.0
296.06012	1.8
296.09213	1.2
297.07693	3.0
298.07236	1.2
300.05130	1.6
300.08487	1.2
302.10251	0.6
305.04327	3.8
307.05945	0.8
309.06421	1.8
312.08554	2.5
313.06943	6.1
314.06497	9.1
314.10196	2.3
315.07263	4.3
316.07996	0.9
319.08273	0.9
322.07007	1.2
323.05460	73.4
324.05536	0.9
324.08920	1.1
325.07080	1.0
328.08026	1.0
330.09610	1.8
330.15134	0.6
332.07593	19.8
332.11526	0.9
333.08224	3.4
337.06857	0.7
340.07941	2.1
341.06494	7.0
342.09708	1.0
358.09061	3.1
360.10748	2.0
362.08679	0.9
365.06589	0.6
373.46042	0.6
376.10284	5.8
386.08585	2.2
404.09628	6.5
411.06989	2.7
422.10822	14.5
447.10513	0.7
475.10007	0.8
493.11185	4.3
494.10709	6.9
521.10748	26.5
538.13116	1.0
566.12836	2.4
584.13910	12.0
671.21484	0.7
680.13782	0.9
698.14954	7.0
716.15741	6.7
726.13910	1.8
744.15479	30.1
745.15326	0.8
762.16400	5.8
878.18518	1.8
896.19910	5.8
906.18591	6.0
924.20129	7.5
942.20764	70.5
943.20117	2.4
1104.24023	14.9
1105.23010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
78.53707	0.7
81.07059	1.0
92.44817	0.8
97.02886	1.2
98.23190	2.9
98.97601	4.0
112.99160	2.3
116.98666	2.7
131.00195	2.8
132.64699	0.8
134.99684	0.8
149.01280	3.0
158.99767	2.2
163.03920	1.2
177.00729	2.4
184.07500	2.3
199.06575	0.8
203.05975	0.8
205.01962	0.9
235.02782	1.1
235.58328	1.1
269.10645	2.0
287.11920	1.3
293.05560	1.9
311.06461	1.1
317.17828	9.9
335.19049	3.0
341.10748	1.1
359.11710	3.6
359.18991	0.9
367.12134	1.3
375.11456	1.1
383.11588	0.9
385.13477	2.7
401.13025	2.2
403.14532	2.0
447.12720	1.3
553.27344	3.2
575.17615	0.9
603.21594	1.5
629.19250	1.0
647.20068	9.9
731.95935	0.9
747.40045	1.5
827.24921	1.3
853.41211	2.1
881.43793	7.2
897.43610	6.1
907.41089	1.5
925.42523	21.4
943.43829	2.7
1085.44556	1.0
1105.47583	100.0
1106.47375	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1108.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03921	0.6
79.05482	1.7
89.03912	5.9
91.05466	4.9
93.03393	8.5
95.04941	2.0
98.23435	1.2
105.04499	1.0
107.04945	12.8
111.04432	39.0
117.03374	3.9
119.04939	2.2
123.04430	1.4
125.05923	0.7
135.04402	39.6
136.04730	0.5
137.02347	2.4
137.05968	2.4
139.03888	67.9
145.02852	5.0
151.03899	13.4
151.05005	1.5
153.05501	3.1
163.03886	32.5
177.05473	3.2
181.04942	45.3
189.06982	0.9
205.06543	0.8
207.07928	0.5
213.01764	0.6
217.06516	1.8
233.06009	1.1
245.06030	1.7
247.07549	0.7
249.05443	0.9
261.05502	2.1
263.07089	1.7
268.09067	0.6
269.09790	0.6
273.05469	2.2
277.05084	0.8
279.07904	1.6
289.04922	3.5
290.05759	0.9
291.06506	2.2
295.05817	1.3
296.08234	1.5
297.08957	1.8
303.06342	0.7
307.06888	1.0
308.08371	1.1
309.08621	1.1
314.09314	1.6
317.04318	4.5
318.05197	1.6
319.05875	3.7
323.05676	0.8
324.07834	3.0
325.08624	3.5
326.09238	1.7
328.07263	0.7
329.04352	0.7
333.09555	2.1
335.06503	2.5
336.07642	1.9
337.08185	2.4
341.08054	1.7
342.08847	6.1
343.09213	0.5
345.03949	4.7
346.04739	0.7
347.05420	9.2
349.03296	0.8
352.07294	4.9
353.08032	9.8
354.08698	3.4
355.09219	0.6
356.06815	0.8
360.06229	0.6
363.05362	3.9
364.07245	1.9
365.08078	2.8
366.08691	0.7
367.09604	2.6
368.06686	1.0
369.07520	3.4
369.10883	0.8
370.08316	9.1
371.09039	1.0
373.03403	24.3
377.02893	1.0
377.07288	0.6
379.09576	0.6
380.06683	6.7
381.07526	13.3
382.08289	5.2
383.09393	0.6
384.06186	5.2
384.10516	0.6
385.10571	1.5
391.04596	5.1
392.06619	0.8
393.07635	1.8
394.08264	1.0
395.09210	4.5
396.10101	0.8
397.05991	2.3
397.11328	3.0
398.07816	12.6
399.08594	2.3
407.09229	1.2
408.05997	3.5
409.07028	14.1
410.07883	5.1
411.08612	2.1
412.05750	1.8
413.10220	9.2
415.11911	1.0
417.09451	0.6
421.06958	1.0
422.07968	0.6
423.08591	6.6
424.09637	1.1
425.10696	5.3
426.07275	15.8
427.08029	8.5
429.09830	1.2
436.05481	1.0
437.00562	0.9
437.06528	17.6
438.07166	3.9
441.09665	31.6
442.10449	1.6
443.11182	2.2
451.08127	3.6
453.10040	5.9
454.06815	6.2
455.07553	10.5
459.10245	0.5
465.06049	1.0
469.09158	71.5
470.09668	2.9
471.10867	4.5
479.07639	1.0
487.10300	2.8
497.08624	100.0
498.09036	2.2
515.09717	12.5
533.11273	0.6
545.10828	1.8
571.08734	11.9
589.09814	4.3
639.14630	0.9
667.14368	5.5
669.15656	1.6
685.15277	1.5
695.13885	62.3
696.13855	1.7
713.14465	2.2
893.19141	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	111.0556
Annotation	Imidazole-4-acetaldehyde
Peak:m/z	Relative Intensity
52.62520	0.3
54.03458	0.5
55.04229	0.3
55.05487	0.4
56.05032	5.0
56.96555	1.4
68.65567	0.2
69.04537	0.6
69.07086	0.3
70.06595	0.3
74.85866	0.3
81.04535	4.9
81.49485	0.3
82.05318	97.4
83.06097	96.3
84.04496	1.1
84.06409	1.7
104.06480	0.3
110.97566	0.4
111.05556	100.0
112.05224	0.5
112.05890	2.4
112.07600	0.8
128.98567	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29250	0.2
54.03463	0.9
55.04246	0.4
55.05505	0.5
56.05031	5.0
56.96560	2.5
57.43990	0.2
69.03421	3.3
69.04534	0.6
69.07062	0.3
69.41269	0.9
70.06579	0.3
81.04532	5.2
82.05313	94.9
83.06091	97.6
84.04515	1.5
84.06435	1.6
84.08145	1.3
93.04517	0.4
111.05552	100.0
111.60083	0.3
112.05190	0.5
112.05890	2.4
112.07584	6.1
128.98640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	2.6
89.03912	32.1
95.04964	2.2
105.04516	0.9
107.04948	4.2
117.02563	1.5
117.03371	19.2
134.29309	0.7
135.04408	33.5
137.02356	1.3
138.43559	0.8
143.07263	0.7
145.02840	18.8
150.30165	0.7
151.22466	0.8
163.03896	100.0
164.04376	0.9
165.07024	1.2
177.07150	0.9
205.06499	2.7
211.07793	0.7
221.06013	3.3
223.07623	4.1
225.05426	1.3
228.09950	0.8
233.05951	2.0
239.07004	0.7
249.05495	4.5
251.06982	4.0
253.04874	1.2
255.06593	3.5
267.06512	2.1
269.08087	2.6
271.06049	1.0
271.58618	0.7
277.04953	3.1
278.08270	0.7
279.06589	1.2
294.07690	1.2
295.06009	4.6
297.07635	1.4
308.09183	0.8
311.31046	0.8
313.07083	1.7
317.10864	0.7
323.05573	2.6
342.11111	0.9
344.12924	0.9
345.09958	1.1
347.11502	1.1
353.10394	1.0
356.08990	1.3
357.09888	1.1
358.10730	2.1
359.11334	1.7
360.12329	1.2
361.13098	1.0
368.09241	2.5
369.09915	1.0
370.10617	1.8
371.11743	1.5
372.12335	1.2
373.09351	1.0
374.10168	1.8
375.11133	1.3
376.11786	1.7
377.12579	1.5
380.09052	0.8
381.10028	1.6
382.10785	1.6
384.08264	1.1
385.09296	1.1
386.10132	2.4
387.11029	2.7
388.11673	3.1
390.13339	1.7
396.08444	1.1
398.10022	3.7
399.10806	2.7
400.11908	3.2
401.12399	1.5
402.09158	3.2
403.10382	1.9
404.11465	1.2
405.11783	1.5
410.10349	1.9
411.11014	4.0
412.11887	1.9
414.08972	1.4
414.13397	2.2
416.11151	3.1
417.12073	4.0
418.12787	3.4
419.13699	2.3
426.09247	1.3
427.10333	1.0
428.11069	5.9
429.11865	1.8
430.13220	3.4
431.13724	1.5
435.13129	2.7
440.11362	1.2
442.13226	3.3
442.18713	0.8
444.09851	1.4
444.14948	1.6
445.11536	2.4
446.12256	7.7
447.13000	1.2
448.14279	1.4
456.10654	1.5
458.12445	4.7
459.13129	1.5
460.14035	4.9
461.14801	1.5
463.12354	2.4
465.14197	2.0
470.12454	2.8
472.14182	1.4
474.11737	2.4
476.13754	3.2
477.14420	1.8
478.14661	1.3
481.13724	1.6
487.12350	1.1
488.13452	15.3
489.14264	1.4
492.12717	7.4
494.15100	1.1
504.12888	2.7
505.13565	1.9
506.14548	6.5
507.15012	0.8
516.12708	2.0
523.14740	2.9
524.15558	2.2
534.13916	5.8
551.14252	2.5
552.14917	9.3
562.13409	1.1
570.15704	1.5
572.18652	0.8
653.02551	0.8
666.95087	0.7
714.17688	1.1
722.14264	1.3
783.90125	0.8
800.19830	0.9
810.17688	5.3
812.19397	1.5
828.19244	13.8
830.19348	1.2
838.16425	1.5
840.19128	1.2
846.20380	9.8
848.21075	1.6
849.18121	1.2
856.18176	6.7
864.20850	1.3
874.19672	54.0
875.19623	1.7
892.20648	13.0
893.20142	1.0
902.18695	2.4
920.19647	1.9
1036.21594	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1122.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	2.7
87.02124	0.3
89.03909	21.5
91.05469	1.7
93.03379	2.9
95.04954	1.8
105.04508	0.7
107.04942	7.0
111.03661	0.6
111.04435	14.6
117.03374	14.7
119.04930	0.8
123.00808	0.4
123.04401	0.5
129.28726	0.4
135.04408	37.3
137.02325	1.6
137.05986	0.9
139.03893	22.2
145.02843	15.4
145.03885	0.7
147.04445	0.6
153.05629	0.3
153.06895	0.4
157.02826	0.4
159.04361	0.4
163.03891	100.0
164.04222	0.5
165.06976	2.4
167.08478	0.5
169.06522	0.5
175.03929	0.6
181.04951	17.1
181.06331	0.7
187.03920	1.2
193.06439	1.7
195.07967	0.6
197.05943	2.3
203.03368	2.7
205.06494	1.5
209.04155	0.5
209.05978	0.5
211.07588	1.2
213.01776	1.1
215.07071	0.6
221.05956	10.0
223.07527	1.3
225.05458	4.1
231.02876	1.9
233.05969	1.0
235.03816	0.6
237.05441	0.7
239.07033	3.2
241.04903	0.5
242.05598	0.4
243.06488	1.4
249.05458	13.0
250.06258	1.0
251.07048	1.2
252.04057	0.8
253.04976	4.8
255.06462	1.7
258.55679	0.4
259.03760	0.6
259.06262	0.4
265.05118	0.4
266.05740	0.7
267.06479	5.9
268.07111	0.4
269.04422	0.4
270.05176	0.9
271.06067	2.3
277.01947	0.5
277.04941	9.5
277.87198	0.4
278.05667	1.4
279.06503	2.3
281.04364	4.5
282.04794	0.4
284.03058	0.7
285.07523	0.8
293.04523	0.5
294.05252	0.6
295.05991	28.6
296.06339	0.5
297.04150	0.7
297.07565	1.5
299.05508	0.9
299.09314	0.4
305.04416	1.1
309.03894	0.6
313.07028	4.7
319.08096	0.5
321.03897	0.6
323.05460	32.5
324.06140	0.4
329.06610	0.5
331.07904	0.7
341.06546	4.6
345.06125	0.7
359.07605	5.1
359.30359	0.5
365.06308	0.7
369.06708	0.5
377.08676	1.1
387.07053	3.1
390.09485	0.4
405.08212	1.9
411.07083	1.1
415.08209	0.9
443.07681	1.1
447.10611	0.6
457.08844	1.0
475.10666	0.5
485.08609	1.0
493.11298	2.4
503.09665	1.0
521.10748	15.0
522.10834	0.6
671.13141	0.5
681.12238	0.7
699.13080	1.4
717.13544	1.0
727.12128	0.8
745.14105	2.8
755.11810	0.4
865.16315	0.4
1019.64685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1126.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05494	1.9
89.03912	2.3
91.05470	5.1
93.03384	10.8
107.04941	13.6
111.04431	46.4
117.03343	1.8
119.04937	2.1
121.02874	1.4
123.04410	1.5
135.04401	47.1
136.04797	1.7
137.02338	3.0
137.05966	4.0
139.03889	82.9
140.04208	2.1
146.95825	1.0
163.03886	25.1
165.07016	4.2
177.01889	1.2
177.06963	1.5
181.04939	50.0
182.05226	1.0
187.03897	2.9
193.06462	3.4
203.03352	6.0
205.06546	2.9
209.04468	2.9
211.07507	1.7
213.01863	2.6
215.07208	1.1
221.05949	18.6
223.07439	3.2
224.19272	1.1
225.05481	9.8
231.02840	5.6
233.06027	2.6
239.06967	7.2
249.05424	25.5
250.05981	3.1
251.07028	4.8
252.04092	2.2
253.04884	7.8
255.06506	3.2
259.04163	1.3
261.05389	2.0
266.05673	1.8
267.06509	15.3
271.06113	2.9
277.04938	24.4
278.05450	2.8
279.06418	6.9
281.04456	11.3
284.02866	1.2
295.05984	66.9
296.06223	3.9
297.07443	2.9
299.09427	1.0
305.04364	4.6
313.06982	7.1
319.08295	1.2
323.05457	80.8
324.05801	3.3
325.06625	1.6
341.06577	6.9
411.07019	4.1
475.10056	1.5
493.11182	9.5
503.09677	2.9
521.10736	100.0
522.11230	5.0
523.11395	2.7
758.49432	1.4
783.37823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.503
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05435	0.6
81.07056	0.5
83.04945	0.5
85.06494	0.4
90.87746	0.2
91.05467	1.8
93.07027	1.0
95.04959	1.2
95.08565	0.3
97.06493	0.2
101.05966	0.3
105.07016	1.5
107.08557	0.4
109.06474	0.3
112.48479	0.2
115.05436	0.3
117.06953	0.9
119.08524	0.7
121.10090	0.6
123.04125	0.4
123.08035	0.3
126.99123	0.2
127.00022	4.0
128.06155	0.3
129.06946	0.7
130.07703	0.3
131.08536	1.5
133.06480	1.1
135.07954	0.4
142.07706	0.3
143.08501	0.8
145.06419	0.6
145.10103	1.2
149.09590	0.5
151.83235	0.2
155.08495	0.6
157.10060	0.4
159.11646	0.3
169.10052	0.3
171.08012	0.2
171.11674	0.4
173.09596	2.0
180.75774	0.2
191.10533	0.2
215.10419	1.2
223.09375	4.1
253.11995	0.7
259.13068	0.3
271.13034	11.5
272.13336	0.2
289.14099	2.2
313.14157	0.6
331.15149	8.9
357.13052	0.5
367.07095	0.2
375.14102	100.0
376.14468	0.5
446.16995	0.2
531.25531	0.8
566.92340	0.2
575.24585	33.4
576.25244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1130.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05485	1.0
81.03402	1.2
89.03893	1.7
91.05462	2.6
92.29979	0.4
93.03394	6.1
95.04942	0.7
103.05463	2.0
107.04934	5.5
109.02873	1.0
111.04428	24.0
115.05441	4.5
117.03373	0.8
119.04898	1.4
123.04395	2.3
127.03889	0.7
131.04912	6.6
133.02815	0.7
135.04399	23.1
137.02328	20.5
137.03339	0.7
137.05972	1.1
139.03882	50.2
141.07002	0.9
143.04912	7.0
145.02818	1.2
147.04356	1.7
152.06198	1.7
153.05461	0.9
153.06866	0.4
157.02870	0.5
159.04391	6.1
160.05132	1.0
161.05989	3.1
163.03880	18.7
165.06978	5.8
167.08537	6.7
169.06453	3.6
169.10091	0.7
175.03851	1.3
176.06114	1.9
177.05484	1.6
177.06976	4.2
178.07777	0.8
179.03369	1.3
179.08531	1.5
181.04936	49.3
182.05299	0.4
187.03868	17.8
187.07503	0.5
193.04875	0.6
193.06461	4.9
195.08023	11.7
197.05949	10.1
197.09639	0.7
199.07532	3.4
203.03313	2.3
205.04865	3.0
205.06491	15.1
207.07999	1.9
209.06010	0.6
211.07515	7.0
213.01865	1.0
213.05463	1.6
213.09059	6.9
215.06972	0.8
221.05951	11.5
223.07504	61.9
224.07863	1.5
225.05420	3.4
227.06949	0.5
231.02769	1.8
233.05951	16.7
234.06519	0.7
237.05399	0.8
239.06999	18.1
241.04796	1.5
241.08566	15.9
243.06494	1.5
249.05484	27.7
250.06126	0.9
251.06999	38.8
253.04912	7.8
255.06494	0.9
257.07986	2.2
261.05429	4.9
267.06494	16.8
268.07001	0.4
269.04956	1.1
269.08051	19.7
277.04913	11.1
278.05600	1.0
279.06482	19.9
279.43417	0.4
285.07523	9.9
287.09152	0.8
291.19662	0.4
295.05972	23.7
296.06232	0.5
297.07523	8.5
305.04340	0.9
308.35379	0.4
313.07013	19.4
315.08554	1.8
323.05457	5.7
331.08109	4.6
341.06512	100.0
342.06778	1.7
359.07471	4.2
376.10330	0.4
443.58304	0.4
521.10175	0.6
539.11407	0.8
556.14325	2.6
574.14709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1130.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05477	2.0
89.03907	2.3
91.05464	6.1
93.03393	8.7
95.04946	2.8
103.05457	6.4
105.03351	1.3
105.07019	8.3
107.04939	9.3
111.04433	43.7
115.05446	1.6
117.03384	1.5
119.04930	5.5
121.02850	1.6
123.04414	6.7
131.04918	11.6
133.02846	9.8
133.06505	0.7
135.04407	35.5
137.02333	4.7
137.05945	1.8
139.03886	72.6
141.06935	2.8
143.04855	0.9
145.02788	2.8
145.03824	0.5
147.04379	12.9
149.05954	6.8
151.03905	4.3
152.06166	2.8
153.05510	0.8
153.06979	2.1
155.08441	0.6
157.02824	1.3
159.04434	5.8
161.05948	2.0
163.03888	42.4
165.01822	0.7
165.06967	7.9
167.08557	12.3
169.06453	7.3
174.06917	0.7
175.03889	100.0
176.04353	1.0
176.06186	1.0
177.05472	2.1
177.06970	5.2
179.03383	1.5
179.08502	1.6
181.04951	95.0
181.06436	8.3
182.05295	0.6
183.08107	1.4
185.05986	0.8
187.03880	6.7
187.07454	2.5
191.03378	2.1
193.04935	0.7
193.06464	9.2
194.07196	0.6
195.08034	20.0
197.05962	12.8
197.09674	1.0
199.07521	24.7
203.03424	3.6
205.04816	1.3
205.06462	8.5
207.08054	1.5
211.07507	7.4
213.05595	3.2
213.09087	10.8
215.06985	1.5
221.04353	3.0
221.06099	16.4
222.06636	0.6
223.07515	16.4
223.97638	0.7
225.05402	3.6
226.06126	0.9
231.02838	5.1
233.05939	6.6
237.05247	0.5
239.07011	31.2
241.04944	0.9
241.08565	18.8
243.06456	1.3
249.05656	15.5
250.06238	1.2
251.07025	12.6
252.97881	0.9
253.04971	1.2
255.06537	1.2
257.08060	4.7
259.09607	0.9
267.06503	31.9
268.06894	0.6
269.05426	0.7
269.08093	7.3
277.04929	5.4
279.06497	8.6
285.07547	32.7
287.09033	2.2
295.05988	48.2
296.06442	0.6
297.07568	9.1
303.08563	4.8
305.04419	0.9
313.07031	61.4
314.07257	0.6
315.08578	6.2
323.05457	16.8
331.08081	32.4
337.53555	0.5
341.06512	20.8
345.10760	0.5
359.07584	51.2
360.07840	1.1
364.04074	0.5
376.10129	0.7
410.62180	0.6
411.98456	0.9
429.99689	0.7
493.11285	2.2
511.11960	1.1
521.10229	0.8
539.11920	6.6
556.14465	4.6
557.12860	1.1
574.15668	3.4
592.02704	0.7
593.04126	0.6
610.03204	0.8
842.72192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5601
Annotation	Unknow
Peak:m/z	Relative Intensity
79.82018	0.5
86.85843	0.5
91.05461	0.5
98.22636	0.8
130.55904	0.5
145.10043	0.5
184.74429	0.4
239.06779	10.1
239.65668	0.4
365.00507	0.5
387.15634	66.6
388.15906	1.5
587.26099	100.0
588.26416	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	1143.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
83.68034	0.7
95.73147	0.9
116.58263	0.7
116.98657	1.1
145.10162	1.2
175.02809	2.0
184.25554	0.7
193.03822	1.3
195.05000	0.7
235.06564	0.7
239.06763	2.9
241.33057	0.7
247.06522	1.6
275.09351	1.4
287.09485	2.7
305.10510	2.1
323.11679	1.5
347.12357	6.1
365.12720	2.2
387.14719	4.6
391.11505	100.0
392.11829	1.7
405.15576	3.9
447.16818	2.6
487.20038	1.8
501.61639	0.7
547.22510	2.8
591.21930	48.2
776.93030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1146.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05493	5.2
89.03914	20.2
90.97357	2.1
91.05474	12.5
93.03396	9.1
107.04956	16.6
111.04437	39.4
116.55038	2.3
117.03374	11.1
119.04900	4.8
123.04402	3.4
124.07570	5.8
132.04430	2.8
133.02849	4.1
134.06042	2.5
135.04404	52.9
137.02345	8.0
137.05922	3.3
139.03882	66.5
145.02820	9.7
147.04364	2.9
148.03935	4.4
161.02362	3.2
162.05533	6.9
163.03889	60.3
164.07040	5.1
165.07025	10.4
176.07083	5.2
181.04932	47.4
181.06409	4.3
187.03882	6.4
192.06570	5.1
193.06491	8.2
195.98415	2.2
197.06021	2.4
202.05026	5.1
203.03374	7.6
205.06499	5.9
211.07359	3.3
213.01628	3.6
214.20792	2.4
221.06009	31.7
223.07602	4.4
225.05476	14.0
231.02722	4.0
233.05959	4.7
239.07014	9.2
249.05452	44.4
250.06206	4.6
251.07022	4.0
252.04167	4.1
252.06598	3.6
253.04964	11.4
253.07224	3.1
255.06400	5.5
261.05350	2.4
266.08084	4.0
267.06473	17.4
268.09692	4.2
270.07614	3.9
277.04947	34.3
279.06482	10.0
280.05981	4.6
281.04318	12.3
284.09180	5.3
293.04263	2.8
294.07681	5.5
295.05984	87.9
296.09262	4.9
297.07404	6.7
298.07068	5.6
302.10101	3.2
305.04282	5.4
308.05518	6.3
310.07043	3.4
312.08609	39.1
313.06766	3.4
314.10129	6.1
321.03836	3.4
322.07059	6.1
323.05472	100.0
324.08701	11.0
330.09634	16.7
340.08057	17.9
341.05835	12.3
342.09772	3.4
350.06497	4.4
352.08002	3.8
354.06021	3.5
358.09076	8.5
365.06174	2.7
368.07547	20.3
369.08484	3.0
370.09033	3.3
372.11139	3.5
376.10229	5.4
378.06161	3.4
384.10648	2.7
386.08609	7.8
396.06909	5.5
400.10229	57.0
411.08765	2.4
418.11508	7.2
420.12915	4.5
428.09732	10.4
446.10825	30.8
464.11838	24.6
471.92780	2.8
493.11261	6.6
521.10645	40.0
588.11151	2.9
608.13831	38.3
626.14978	58.1
658.12402	2.7
676.12646	8.6
698.15155	6.4
736.12170	2.8
740.15637	10.6
758.16895	36.7
768.15289	22.6
786.16565	42.7
804.16913	3.5
966.20410	31.9
984.03003	3.3
984.21753	37.7
1156.83093	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02509	0.4
63.02367	0.4
65.03928	1.2
65.19331	0.3
67.73495	0.4
71.43199	0.4
89.03907	5.0
103.76559	0.4
112.57120	0.4
115.05446	100.0
116.05664	1.3
116.06374	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	115.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29613	0.6
59.42415	0.6
65.03922	1.3
67.02980	0.8
69.07070	0.6
70.06589	4.1
74.38315	0.5
74.93146	1.3
80.05817	0.6
89.03876	3.2
115.05439	100.0
115.09473	4.2
116.06211	4.2
116.07043	1.4
134.50488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1154.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03423	1.9
83.04971	45.1
85.02893	100.0
87.04449	1.2
89.03906	6.5
91.05480	3.6
93.55331	0.4
95.04978	0.6
97.02888	1.2
99.04441	1.4
102.04688	0.4
103.05464	0.6
105.07018	0.5
107.08635	0.3
109.02876	2.7
111.04430	27.3
113.45268	0.3
117.03361	13.5
119.04933	4.4
124.05250	0.5
127.03891	5.0
127.04745	0.5
129.05460	13.6
130.04138	0.5
131.04955	0.4
133.02855	1.3
133.06442	0.7
134.03622	1.1
135.04427	1.6
137.05960	5.8
140.05998	0.4
145.02829	31.5
147.04362	2.8
149.05983	5.3
151.07518	5.1
153.05467	1.4
161.05917	2.7
162.06749	1.5
163.03853	1.1
163.07509	0.7
171.06503	92.9
173.05975	1.0
175.03874	1.8
177.05446	58.0
179.06999	7.2
179.08432	0.6
180.07814	0.7
181.06384	0.4
186.05499	0.9
187.06009	0.6
193.08629	0.4
201.05458	11.1
205.06630	0.5
206.07243	0.5
213.05418	0.9
215.07112	0.5
231.06476	1.6
231.08560	9.4
231.10675	0.6
233.05995	0.6
234.06688	0.7
237.09192	0.5
241.08395	0.4
259.09647	2.0
262.06088	0.8
263.06903	0.4
264.07770	0.5
265.08569	1.1
277.08508	1.2
277.10989	0.9
279.06561	0.4
290.05533	1.0
293.07971	1.1
303.08652	0.5
305.08020	2.4
307.09442	0.9
309.11111	0.6
323.09167	1.0
325.10678	9.2
337.10535	7.1
341.10110	1.4
355.11710	21.6
373.12805	5.6
381.11835	3.9
529.17096	2.2
541.16968	1.1
559.18066	6.7
577.19067	11.0
585.20081	0.5
597.93280	0.5
603.20007	0.7
653.14166	0.4
657.78687	0.4
789.25037	1.1
807.26855	3.6
958.00446	0.5
969.31537	0.7
991.32141	0.4
993.22119	0.4
1179.05896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	90.2
56.96561	1.5
57.05367	1.5
65.29538	0.4
69.77120	0.9
69.77479	1.0
70.06577	0.4
71.04984	20.4
72.08166	0.8
74.93837	0.7
78.86604	0.4
84.04495	100.0
84.08091	0.4
85.04836	1.8
92.56438	0.5
93.50822	0.5
98.97569	3.6
99.04447	8.4
102.00948	0.5
116.07066	2.4
116.14358	1.0
116.98610	1.9
120.01996	2.6
121.01656	0.8
134.02991	0.6
134.04778	0.5
134.99617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03940	1.1
55.45242	0.4
61.25249	0.4
62.01593	0.7
63.02053	0.8
63.02372	15.0
65.56007	0.5
69.19064	1.0
69.19457	2.2
70.74233	0.5
71.72959	0.4
71.89346	0.4
72.74743	0.4
74.26040	0.4
77.03927	1.7
79.05485	0.9
79.52419	0.4
81.03366	0.5
89.03909	100.0
90.04250	3.1
91.05467	1.2
95.04964	7.4
96.95910	0.4
98.22688	1.0
99.06503	0.4
105.04504	3.8
107.04958	0.5
115.05453	1.9
117.03371	8.4
117.07010	2.7
118.03716	0.5
118.06536	4.5
127.38651	0.4
129.72002	0.5
130.06621	0.5
135.05499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
53.03925	1.6
58.06577	1.1
70.44604	0.8
71.06933	1.7
72.04504	1.5
72.08152	1.2
73.55365	1.0
76.92841	1.6
77.03925	1.7
91.05475	36.4
95.04965	10.8
98.23621	1.5
105.04475	5.0
115.05449	76.0
116.05717	4.5
117.07011	100.0
118.06570	7.7
118.07317	2.1
118.08655	2.4
118.12360	1.3
130.58409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
51.02375	0.7
53.03943	3.3
65.03921	1.2
68.76313	0.5
70.72628	0.6
77.03936	2.6
82.82092	0.4
91.05475	42.4
92.05804	1.2
95.04962	14.1
105.04505	6.1
115.05446	77.8
116.05753	2.3
116.06303	1.7
117.07011	100.0
118.06529	10.9
118.07353	2.8
120.47136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.07
Annotation	INDENE
Peak:m/z	Relative Intensity
50.11600	0.4
51.02360	0.6
53.03932	1.8
58.06606	0.7
60.03751	0.5
63.85269	0.4
72.04523	0.6
72.83742	0.5
77.03923	1.8
91.05474	35.2
92.05798	0.6
95.04962	12.1
105.04504	4.6
115.05449	70.9
116.05738	1.7
116.06364	1.2
117.07011	100.0
118.06531	7.4
118.07354	2.9
118.08643	0.6
127.67050	0.5
138.16483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.07
Annotation	INDENE
Peak:m/z	Relative Intensity
53.03934	1.8
56.15561	0.7
56.46179	0.8
62.52526	0.7
68.88970	0.9
71.06922	1.2
72.04507	1.2
76.92886	1.2
77.03926	2.0
78.56004	0.8
88.56769	0.8
91.05474	39.8
92.99715	0.7
95.04964	8.5
105.04510	3.5
115.05445	81.5
116.05685	1.7
116.06348	1.7
117.07011	100.0
118.06530	4.2
118.07344	3.1
127.85521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11600	0.4
51.02360	0.6
53.03932	1.8
58.06606	0.7
60.03751	0.5
63.85269	0.4
72.04523	0.6
72.83742	0.5
77.03923	1.8
91.05474	35.2
92.05798	0.6
95.04962	12.1
105.04504	4.6
115.05449	70.9
116.05738	1.7
116.06364	1.2
117.07011	100.0
118.06531	7.4
118.07354	2.9
118.08643	0.6
127.67050	0.5
138.16483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
51.02369	0.6
53.03950	1.6
61.14353	0.3
65.03931	1.4
71.43143	0.4
77.03910	1.8
84.91156	0.3
85.01707	0.3
85.76687	0.3
89.03896	0.5
91.05475	58.5
92.05798	1.1
95.04964	6.3
102.04653	0.7
105.04511	2.7
115.05450	86.6
116.05681	1.8
116.06237	3.8
117.07014	100.0
118.06519	5.1
118.07347	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	117.07
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
53.03935	1.5
57.31906	0.4
60.35114	0.5
65.03923	1.3
70.22764	0.4
77.03919	1.9
78.85547	0.5
91.05473	61.4
92.05799	1.1
93.73962	0.4
95.04963	7.9
105.04507	3.0
115.05445	85.9
116.05663	1.9
116.06239	4.4
117.07010	100.0
118.06529	4.9
118.07353	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	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
53.03936	2.5
65.03925	1.8
70.48358	1.8
72.04501	1.4
76.56270	0.6
77.03933	1.3
79.87331	0.8
91.05473	55.7
92.05804	1.2
95.04955	10.8
105.04502	4.2
111.35310	0.6
115.05447	80.2
116.05100	0.7
116.05678	1.6
116.06247	4.4
117.07013	100.0
118.06529	6.5
118.07349	3.4
118.08640	2.1
130.92589	0.6
133.22835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
62.35669	0.5
62.54696	0.4
65.03914	1.0
69.83030	1.4
69.83395	0.8
77.03920	1.7
91.05473	58.4
92.05805	1.6
95.04951	6.3
102.04710	0.5
105.04507	2.2
110.38949	0.5
115.05446	85.5
116.05667	1.6
116.06239	3.6
117.07011	100.0
118.06528	5.1
118.07359	2.6
136.88039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02374	5.9
53.03939	18.3
58.06593	6.5
59.07380	3.5
64.76373	1.4
65.03923	2.3
68.41906	1.6
69.98789	4.2
72.08144	6.6
76.92847	2.9
77.03906	10.7
79.05469	4.5
91.05467	61.5
92.05811	6.8
93.07013	1.9
95.04954	100.0
103.05450	6.0
104.06249	4.4
105.04504	36.9
115.05464	3.1
116.05759	12.3
117.07013	17.3
118.06528	61.0
118.07346	15.5
118.08619	14.0
118.12331	2.7
119.04922	4.2
119.06065	4.5
119.08552	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02370	4.4
53.03940	19.2
54.14930	2.9
58.06580	3.7
72.08138	11.5
76.92853	7.4
77.03919	14.1
81.03421	3.2
90.41142	3.7
91.05476	15.6
95.04955	100.0
97.23227	3.3
105.04507	51.2
118.05757	6.6
118.06526	80.6
118.08636	13.2
118.12300	4.4
119.04864	3.6
119.06030	4.0
119.08585	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
65.03939	1.2
69.74689	2.7
72.08138	1.9
76.93362	2.6
91.05470	38.8
95.04985	1.0
103.61103	0.7
104.48140	0.7
115.51706	0.7
117.05734	5.0
118.06530	100.0
119.06064	1.3
119.06868	2.8
120.48091	0.7
129.95078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77613	2.4
56.36897	2.5
67.05505	7.1
69.88422	4.3
91.05463	8.5
98.22687	3.2
100.02454	2.6
101.00863	26.6
103.02438	6.8
107.05262	3.4
111.04392	2.4
111.12946	2.4
116.05773	6.2
119.01917	100.0
120.02054	6.0
121.03463	3.3
129.37538	2.1
137.02962	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86912	3.5
69.68992	8.1
69.69379	9.3
91.05487	23.6
101.00916	20.6
102.16232	3.7
107.05251	6.4
119.01914	100.0
119.06064	12.5
120.02099	5.3
134.61455	3.7
137.02931	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40044	2.3
57.03427	3.0
63.02707	11.9
65.13541	2.3
67.05484	3.3
69.78591	9.0
69.78928	2.7
71.16499	2.3
82.99808	2.8
84.04494	4.0
89.51559	3.3
91.05473	12.3
100.02489	2.6
101.00887	28.1
107.05303	2.8
119.01911	100.0
119.02777	5.2
120.02060	5.7
121.03463	2.6
122.60918	2.3
128.65854	2.3
130.49930	2.4
131.33746	2.6
135.68413	2.3
137.02959	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02707	6.9
69.97130	3.6
69.97490	11.5
75.97182	4.2
80.02975	3.5
91.05453	19.8
101.00864	27.4
102.00945	4.9
107.05193	3.7
116.05762	4.4
119.01095	6.6
119.01913	100.0
119.02763	5.2
120.02014	10.5
137.02942	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02369	0.6
58.13377	0.3
65.03934	20.8
67.50941	0.4
69.94707	0.9
69.95033	0.6
75.88190	0.4
79.05473	0.6
91.05473	100.0
92.05821	2.5
93.07019	0.7
95.04951	0.9
103.05448	1.3
104.06229	0.9
105.04534	0.7
105.32340	0.4
117.07009	1.9
119.04931	31.4
119.08563	7.2
120.04460	0.8
120.05320	1.3
120.08117	0.8
121.03919	0.6
128.76637	0.4
129.04446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.10618	0.5
51.27978	0.4
62.23463	0.4
65.03939	20.5
69.62953	1.8
77.03933	0.6
79.05482	1.0
79.11226	0.4
91.05476	100.0
92.05801	2.1
93.07046	0.9
95.04922	0.8
103.05448	1.6
103.62435	0.5
104.06263	1.0
105.04511	0.9
115.30662	0.5
117.07023	2.7
119.04941	32.0
119.05871	1.1
119.08569	10.2
120.05473	0.8
120.08101	1.3
126.05667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.4
53.03935	0.6
55.05497	1.1
57.03424	0.5
65.03937	16.4
71.41244	0.4
72.71917	0.3
73.06562	0.8
76.14063	0.3
77.03907	0.5
78.04688	0.5
79.05473	2.2
80.81465	0.3
91.05472	100.0
92.05792	2.0
93.07023	1.9
95.04951	2.6
98.66528	0.3
103.05460	4.2
104.06248	4.1
105.04521	0.6
111.04463	0.7
114.01431	0.4
115.05429	2.0
117.07014	10.0
118.04156	0.4
119.04932	25.2
119.06021	1.5
119.08568	33.4
120.04449	0.7
120.05432	0.6
120.08090	0.8
120.08888	0.6
129.04471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.58430	0.6
53.03931	0.7
65.03937	4.2
70.62471	1.1
72.63141	0.6
77.03922	0.8
78.04692	1.0
79.05487	7.7
91.05471	100.0
92.05009	0.5
92.05788	3.6
93.07027	4.6
95.04957	4.7
96.05293	2.2
102.09169	0.9
103.05447	8.1
104.06248	9.4
105.04507	2.2
106.04889	0.9
109.06518	2.3
109.47086	0.5
115.05437	4.3
117.07000	21.4
118.07350	0.7
119.04985	3.4
119.06175	4.6
119.06857	2.0
119.08566	61.9
120.05567	2.7
120.08060	1.9
120.08902	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03949	1.1
59.60188	0.6
65.03923	4.1
69.10654	1.8
69.11071	2.3
77.03911	1.5
78.04272	0.7
78.04701	1.7
79.05495	8.3
91.05476	97.3
92.05823	2.8
93.07022	5.1
95.04961	6.4
96.05293	2.0
98.22628	1.2
103.05459	15.3
104.06253	16.0
105.04506	3.5
106.04826	0.9
109.06528	1.3
115.05447	7.4
117.07010	27.5
118.06571	0.8
118.07320	1.5
119.08572	100.0
120.08887	4.0
121.06502	0.8
131.06023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03936	0.9
55.45116	0.9
56.75050	0.7
58.45740	0.8
63.09629	0.8
65.03924	3.4
70.41152	0.7
71.92139	0.7
77.03930	1.1
78.04241	0.7
78.04689	1.8
79.05473	7.1
91.05469	92.7
92.05792	3.8
93.07034	6.1
95.04958	6.2
96.05321	1.1
102.09162	1.8
103.05457	14.1
104.06248	14.0
105.04492	2.6
106.04857	0.8
109.06493	0.8
115.05431	6.1
117.07007	20.8
118.07355	1.1
119.06039	2.4
119.08564	100.0
120.05585	2.2
120.08121	1.3
120.08900	3.5
120.10242	1.6
123.59859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03936	2.2
55.05504	2.6
57.03441	1.8
65.03925	3.1
68.79743	0.8
69.33411	1.9
69.33808	2.6
73.06554	1.2
77.03920	2.2
78.04247	0.9
78.04694	2.3
79.05495	7.6
91.05474	100.0
92.05809	2.5
93.07063	5.5
95.04962	6.4
96.05283	2.8
98.99952	0.7
100.20315	0.7
102.04681	0.8
102.15521	1.0
103.05455	12.7
104.06248	12.2
105.04504	2.4
105.06567	1.0
106.04823	1.1
109.06537	1.5
115.05445	5.7
117.06170	1.9
117.07007	31.2
118.07311	1.5
119.06068	2.5
119.06820	2.3
119.08569	87.0
120.05534	1.9
120.08154	0.9
120.08907	3.8
121.06448	1.0
131.06047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02353	0.6
53.03946	1.5
55.05486	1.4
57.03431	0.7
64.84635	0.5
65.03937	4.0
73.06541	0.9
77.03908	1.0
78.04702	1.7
79.05486	8.5
83.04943	0.4
87.26754	0.5
91.05473	93.1
92.05788	2.5
93.07030	6.1
95.04961	6.8
96.05313	1.4
101.33193	0.5
102.09164	0.5
103.05456	13.9
104.06249	14.3
105.04509	2.9
109.06461	1.0
115.05453	6.9
117.07008	25.9
118.07329	0.8
119.06053	3.2
119.08568	100.0
120.05550	2.0
120.08082	1.2
120.08902	4.4
120.10196	0.6
121.06498	0.9
131.06082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
54.01343	0.8
55.05502	2.4
57.03424	1.3
59.04993	0.9
65.03930	3.9
67.05486	0.9
69.03236	0.8
70.67682	1.4
72.72618	0.7
73.06526	1.3
77.03911	1.2
78.04694	2.7
79.05492	8.8
83.73986	0.7
89.26028	0.6
91.05471	94.6
91.87621	0.6
92.05793	3.5
93.07034	6.2
95.04957	7.1
96.05289	1.1
103.05450	10.8
104.06243	14.2
105.04516	2.9
107.87335	0.9
109.06496	1.8
115.05454	5.3
117.07004	25.9
118.07345	1.8
119.06033	2.3
119.08566	100.0
120.05598	1.7
120.08896	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03940	1.5
58.44808	0.9
65.03924	4.0
70.78027	1.0
77.03925	0.8
78.04703	1.5
79.05488	8.1
90.54285	0.9
91.05474	86.0
92.05800	2.5
93.07021	6.1
95.04971	5.7
102.09171	3.0
103.05461	11.3
104.05664	1.2
104.06254	11.6
105.04507	2.2
109.06507	0.8
113.24426	0.7
115.05453	6.7
117.07014	24.6
118.07280	1.0
118.63120	0.7
119.06173	3.8
119.08569	100.0
119.49982	0.7
120.05592	2.9
120.08105	1.9
120.08907	4.6
120.10176	1.6
121.06561	0.8
137.24277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03940	1.0
53.61716	0.6
65.03931	3.5
68.08127	0.7
79.05479	6.6
81.89337	0.6
91.05473	100.0
92.05822	2.4
93.07028	4.4
95.04935	3.4
96.05344	0.7
99.09052	0.7
103.05459	9.0
104.06239	5.7
105.04484	1.3
115.05456	3.7
117.07013	24.2
118.07333	0.9
119.06090	5.2
119.08567	55.0
120.04610	1.1
120.05576	4.5
120.08069	2.7
120.08923	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13816	0.7
53.03939	1.9
55.05505	1.3
62.52293	0.6
65.03933	3.4
65.15288	0.6
67.05508	1.0
71.43116	0.6
73.06538	1.1
77.03921	1.2
78.04704	2.0
79.05486	9.7
83.25572	0.6
83.59915	0.6
91.05475	93.6
92.05822	2.3
93.07042	5.5
95.04954	7.5
96.05305	1.5
98.22903	0.9
101.05984	0.8
102.09181	1.3
103.05464	12.1
104.06241	12.0
105.04507	3.3
106.04852	0.7
109.06480	1.0
115.05440	7.7
117.07007	27.3
118.07337	1.1
119.06069	2.6
119.08570	100.0
120.05580	1.7
120.08138	1.3
120.08920	3.3
120.10226	1.0
127.41939	0.5
131.06000	0.9
134.91843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.01593	0.6
51.02379	0.8
53.03941	1.1
62.67176	0.4
65.03931	5.7
68.59975	0.5
69.48946	2.3
77.03926	1.9
78.04703	1.0
79.05486	7.6
91.05470	100.0
92.05801	3.4
93.07019	5.5
95.04952	5.7
96.05246	0.8
98.23441	1.0
102.04683	0.4
103.05457	14.0
104.06240	13.7
105.04488	2.7
105.06522	0.4
105.19647	0.5
109.06526	1.5
115.05448	7.1
117.07005	34.4
118.07362	1.3
118.75744	0.4
119.04913	1.9
119.08565	89.5
120.08036	0.8
120.08856	4.8
121.06488	0.9
131.06059	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
56.19308	0.3
63.02362	0.4
65.03935	6.2
66.21481	0.4
67.05492	0.5
77.03909	0.7
78.04249	0.3
78.04697	1.0
79.05482	6.7
91.05472	100.0
92.04978	2.4
92.05804	2.4
93.07034	4.5
95.04958	4.8
96.05302	0.8
103.04757	0.6
103.05456	11.1
104.06248	11.9
105.04523	2.3
109.06481	1.2
115.05452	5.4
117.07008	27.4
118.07325	1.2
119.04945	4.6
119.06058	2.4
119.08568	78.2
120.04443	2.1
120.05556	1.0
120.08067	1.1
120.08910	2.9
121.06519	0.9
131.06035	0.7
138.57408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.29820	0.4
51.02382	0.6
53.03940	1.0
57.76437	0.4
65.03936	6.8
77.03926	1.3
78.04750	0.4
79.05483	5.5
91.05473	100.0
92.05811	2.8
93.07030	5.5
94.07359	0.4
95.04957	4.8
96.05305	0.7
102.04690	0.4
102.28831	0.5
103.05454	13.0
104.05595	0.5
104.06252	10.9
105.04491	1.5
109.06519	1.0
115.05439	5.1
117.07008	32.5
118.07369	1.4
119.04935	9.8
119.06083	1.1
119.08567	76.3
120.04490	0.4
120.05566	0.8
120.08885	3.4
121.06466	0.8
126.92477	0.5
131.06049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
52.15611	0.4
53.03933	0.9
55.05491	1.1
57.03436	0.5
65.03592	0.7
65.03931	11.3
66.04263	0.4
69.75914	1.2
73.06547	0.4
77.03923	1.0
78.04710	0.6
79.05479	6.3
91.05469	100.0
92.04973	0.5
92.05811	2.6
93.07022	4.3
95.04966	4.2
96.05273	0.5
103.05453	9.7
104.06245	8.2
105.04475	1.6
109.06459	0.5
115.05453	3.2
117.07007	18.8
118.01825	0.4
118.07321	0.8
119.04939	13.2
119.06038	1.9
119.08565	71.9
120.04473	0.6
120.05375	0.5
120.08221	2.7
120.08904	2.6
121.06483	0.5
131.06030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02362	1.0
53.03942	2.3
54.36444	0.7
63.92352	0.7
65.03940	3.8
69.24734	2.9
69.25145	1.4
76.05931	0.7
77.03925	2.3
78.04272	0.9
78.04682	1.7
79.05489	7.3
79.86369	0.6
80.05801	0.8
91.05474	100.0
92.05791	3.1
93.07022	5.8
95.04951	5.4
96.05325	3.6
98.12463	0.7
103.05462	10.7
104.06245	13.3
105.04508	3.0
106.04865	2.2
109.06493	1.4
115.05450	5.9
117.07008	30.1
119.04920	1.9
119.06089	2.5
119.06841	3.2
119.08572	92.9
120.08105	1.3
120.08912	2.8
126.55897	0.7
137.60094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
58.06577	2.2
60.15857	1.7
65.03928	4.4
69.08310	11.6
79.05485	7.2
83.47456	1.7
91.05470	93.6
92.05840	2.2
93.07035	7.0
95.04948	7.6
96.05282	3.7
97.08521	2.0
102.09164	5.1
103.05434	16.5
104.06238	12.4
105.04480	2.9
115.05450	5.9
115.41908	1.8
117.07008	26.7
119.06060	6.3
119.08566	100.0
120.04392	2.0
120.05573	8.2
120.08090	4.2
120.08910	4.4
120.10217	4.6
120.69999	2.1
130.60971	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03928	0.7
55.05511	0.8
61.30333	0.5
65.03934	9.4
71.43784	0.6
73.06525	0.5
77.03905	1.0
78.04707	1.4
79.05486	5.7
80.12751	0.5
84.22679	0.5
90.36325	0.6
91.05472	100.0
92.04963	0.5
92.05795	2.5
93.07035	4.6
95.04961	3.4
96.05296	0.9
96.55272	0.5
103.05460	11.6
103.17371	0.5
104.06249	8.5
105.04507	2.0
109.06527	1.5
115.05438	5.2
117.06169	1.1
117.07005	19.8
118.07291	0.6
119.04932	11.0
119.06207	2.3
119.08568	79.0
120.04482	1.0
120.05506	1.4
120.08100	2.3
120.08914	3.1
121.06431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
51.29997	0.3
53.03939	0.8
61.74819	0.3
65.03935	10.0
69.29688	1.6
73.29409	0.3
77.03920	1.2
78.04716	1.2
79.05488	5.2
88.05942	0.3
91.05475	100.0
92.05012	0.3
92.05812	3.1
93.07039	5.1
95.04956	4.7
96.05306	0.6
103.05465	11.1
104.06246	8.7
105.04508	1.7
105.06559	0.4
109.06523	1.6
115.05441	5.6
117.07013	28.9
118.07345	1.3
119.04934	12.5
119.06087	1.5
119.08571	61.9
120.05363	0.7
120.08130	0.6
120.08910	2.4
121.06491	0.9
131.06097	0.5
135.51738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96893	0.5
53.03933	1.4
56.85564	0.4
65.03921	1.1
69.69425	1.6
77.03916	1.8
79.05479	1.8
80.05013	0.4
82.49729	0.4
83.07091	0.5
91.04945	0.6
91.05478	9.9
92.04977	0.7
92.05807	2.2
93.07034	18.2
94.06552	0.7
95.04956	6.8
102.04677	1.1
103.05460	89.5
104.05807	2.7
105.04505	3.8
105.07018	0.7
118.06525	1.3
119.07376	0.5
120.08096	100.0
121.02814	0.9
121.03925	0.8
121.06505	0.9
121.08437	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
65.03943	1.5
69.84375	0.4
70.91566	1.0
77.03920	2.6
79.05486	1.0
80.05026	0.9
86.15701	0.4
91.05476	12.8
91.06046	0.7
92.04991	1.2
93.07039	20.7
93.23632	0.5
95.04964	9.1
100.34168	0.5
102.04678	1.1
103.05464	95.4
104.05794	2.2
105.04499	4.0
116.05563	0.4
118.06546	1.7
119.07326	2.1
120.08100	100.0
121.02921	0.6
121.04910	0.4
121.06487	3.6
121.08407	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	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
53.03942	1.6
55.01862	1.2
55.05501	0.5
56.64904	0.4
65.03938	69.7
66.04271	1.0
66.11521	0.4
67.05487	0.6
68.99785	0.9
71.01337	0.5
77.03933	1.4
78.04699	0.7
79.05483	8.1
80.05019	0.8
91.05473	8.9
93.03407	2.0
93.04528	0.7
93.07039	9.4
94.06609	0.6
95.04967	7.9
100.22913	0.4
103.05464	5.6
105.04520	2.8
105.07021	20.3
106.06532	0.4
106.07838	1.1
107.07328	8.7
107.07996	0.7
110.39577	0.4
111.04435	39.3
112.04790	1.1
119.08574	2.8
121.02882	100.0
121.03988	53.1
121.06477	5.9
121.07654	1.0
121.10139	9.3
122.03206	2.9
122.04311	1.1
122.06039	1.3
122.09664	9.5
122.10547	0.5
122.95082	0.4
123.08064	1.6
133.07619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01602	0.9
50.94402	0.4
51.02376	2.2
53.03947	9.5
55.01864	2.1
65.03923	1.9
70.09283	1.2
77.03925	18.9
78.04254	0.6
78.04680	0.6
79.05483	0.9
81.03424	1.0
91.05474	71.4
92.05779	2.1
93.07036	64.1
94.04210	0.5
94.07372	1.5
95.04959	55.3
96.05295	0.6
98.92146	0.4
102.04684	1.6
103.05459	100.0
104.05799	2.6
105.04504	24.3
106.04852	0.5
119.04923	0.6
121.06495	92.9
122.06822	2.7
130.92117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.6
53.03947	9.9
55.01863	2.3
65.03924	1.6
70.91754	1.1
77.03920	16.9
77.04363	0.9
77.26554	0.4
78.04690	0.7
79.05482	1.1
81.03407	1.5
91.05470	72.0
92.05794	2.4
93.07033	61.2
94.04172	1.2
94.07338	1.5
95.04958	58.5
96.05286	1.8
102.04667	2.0
103.05457	98.2
104.05804	3.2
105.04506	23.2
105.05071	0.4
106.04871	0.6
121.06490	100.0
122.06817	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02376	2.2
53.03945	12.9
55.01868	1.9
63.04128	1.2
65.00643	1.4
65.03936	15.6
67.05489	2.4
67.77955	1.4
77.03922	9.8
79.05500	9.7
80.05018	2.9
81.04536	6.3
91.05473	69.9
92.05830	3.1
93.03396	2.7
93.04527	2.1
93.07038	63.4
94.06570	2.7
94.07362	2.7
95.04962	57.1
96.05267	1.5
103.05463	93.2
104.05028	1.4
104.05790	4.8
105.04507	26.6
105.07023	21.5
106.06551	4.0
107.07330	32.4
110.06081	1.6
111.04436	4.5
112.03918	3.7
120.08043	1.9
121.02873	21.7
121.03978	11.3
121.06496	100.0
121.07523	4.3
121.10114	2.6
122.06007	8.4
122.06968	4.7
122.09655	40.0
122.10542	2.3
123.08084	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.91529	1.1
53.03934	2.7
55.05503	2.2
65.03918	1.8
67.05489	4.1
77.03906	2.8
79.05486	40.3
79.05952	2.2
80.05814	1.7
81.07069	1.2
82.58327	1.0
91.05466	16.1
93.04507	4.3
93.07037	32.2
94.06562	1.5
95.04961	15.5
99.61717	0.9
103.05463	21.5
105.04510	6.3
105.07021	100.0
106.06594	1.9
106.07875	6.0
107.07306	3.2
119.08553	14.1
121.02888	2.0
121.03978	4.7
121.06514	5.7
121.07624	1.5
121.10133	54.9
122.06034	2.8
122.09650	4.7
122.10443	2.1
123.08064	11.9
133.07596	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01561	0.9
53.03944	7.3
55.05504	10.9
58.29636	1.0
65.03931	2.1
67.05495	2.6
69.24225	4.2
69.24629	2.5
74.28082	1.0
77.03908	3.8
79.05486	68.6
80.05820	1.4
80.06268	2.1
81.07059	5.7
91.05472	49.9
92.05000	1.2
92.05798	2.3
93.04524	5.1
93.07036	95.6
94.07385	2.2
95.04961	31.2
96.05264	1.0
96.90907	1.0
103.05457	22.3
105.04520	13.5
105.07019	100.0
106.06579	2.3
106.07887	7.5
107.07329	1.3
119.08574	16.4
121.02931	1.6
121.03966	6.5
121.06528	2.5
121.07642	1.6
121.10129	57.6
122.05999	2.4
122.09653	4.2
122.10437	1.8
123.08061	11.5
133.07603	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	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.7
53.03942	4.6
55.05498	2.4
65.03933	8.8
67.79214	0.7
71.32928	1.0
77.03906	5.3
79.05484	37.4
81.07052	1.1
91.04935	1.6
91.05470	17.9
93.07036	26.3
95.04961	15.0
103.05462	20.6
105.04537	5.9
105.07021	100.0
106.07902	5.5
107.07322	11.7
111.04421	3.8
119.08556	14.2
121.02860	14.3
121.03962	5.4
121.06497	7.0
121.10131	52.7
122.06004	1.2
122.09664	12.3
122.10449	1.1
123.08055	13.5
133.07596	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02368	2.2
53.03941	8.2
55.01856	1.5
55.05504	3.9
65.03937	8.5
67.05503	1.8
68.81155	0.9
69.93725	0.7
77.03919	9.2
78.04697	1.1
79.05488	53.2
80.05823	1.0
81.07041	3.6
91.05475	56.5
92.05801	3.1
93.07037	79.4
94.07362	1.5
95.04960	40.4
96.05283	1.4
100.02675	0.9
102.04636	1.4
103.05459	46.9
104.05811	1.8
105.04515	15.8
105.07021	100.0
106.06615	1.2
106.07858	10.1
107.07324	7.5
111.04431	3.4
114.80237	1.0
119.08580	15.2
121.02866	10.8
121.03953	5.0
121.06507	24.8
121.07523	1.7
121.10135	68.4
122.06030	1.7
122.09655	10.4
122.10435	1.9
123.08048	10.1
133.07603	7.6
137.95473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02374	1.7
53.03942	4.6
55.05498	2.4
65.03933	8.8
67.79214	0.7
71.32928	1.0
77.03906	5.3
79.05484	37.4
81.07052	1.1
91.04935	1.6
91.05470	17.9
93.07036	26.3
95.04961	15.0
103.05462	20.6
105.04537	5.9
105.07021	100.0
106.07902	5.5
107.07322	11.7
111.04421	3.8
119.08556	14.2
121.02860	14.3
121.03962	5.4
121.06497	7.0
121.10131	52.7
122.06004	1.2
122.09664	12.3
122.10449	1.1
123.08055	13.5
133.07596	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02365	1.7
53.03943	5.5
53.17496	0.9
55.01870	1.0
55.05502	3.4
65.03934	19.3
67.05503	2.0
69.17088	5.4
72.08418	0.8
77.03929	3.8
79.05488	49.2
80.05005	1.2
81.07027	2.2
91.05475	35.0
93.04507	1.5
93.07037	53.0
94.04211	1.1
94.06556	1.1
94.07369	1.3
95.04965	29.7
103.05464	24.5
105.04519	10.4
105.07025	100.0
106.06590	2.1
106.07882	7.4
107.04973	0.9
107.07327	31.6
111.04433	9.6
112.03935	1.3
119.08578	13.0
121.02869	26.7
121.03977	15.3
121.04829	0.8
121.06502	19.9
121.07526	2.0
121.10137	55.1
122.03204	1.2
122.04333	1.0
122.06076	4.4
122.09664	39.7
122.10437	2.1
123.08055	9.6
133.07590	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02367	1.0
53.03936	3.5
55.01859	1.1
55.05504	1.3
57.98132	1.1
58.57947	0.8
65.03936	43.6
66.04272	1.1
67.05499	2.1
67.43643	0.9
67.57570	0.8
75.99111	0.8
77.03931	4.8
79.05485	39.7
91.05469	24.7
93.03377	1.9
93.07034	30.0
94.06554	1.0
95.04967	22.5
103.05459	21.7
105.04520	9.4
105.07018	100.0
106.07887	5.6
107.04939	26.5
107.07349	4.3
111.04430	23.4
112.04722	1.1
119.08570	16.0
120.08909	0.9
121.02856	63.3
121.03970	31.8
121.06490	26.5
121.10130	52.5
122.03187	3.2
122.06030	1.9
122.07291	7.8
122.09651	5.9
122.10428	2.2
123.08045	10.6
133.07584	9.3
133.08421	1.1
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	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02352	1.6
52.10295	1.5
53.03937	9.0
55.05502	14.5
65.03924	2.7
67.05492	6.2
69.76744	6.1
77.03910	6.5
79.05485	74.9
79.05949	3.5
80.05769	1.8
81.07040	5.3
91.05471	48.6
92.05795	2.0
93.04522	9.1
93.07037	100.0
94.06541	2.9
94.07385	2.6
95.04958	38.4
98.23449	2.1
103.05463	24.9
105.04528	14.2
105.07021	99.4
106.07790	6.8
107.07316	5.7
119.08591	14.3
121.02849	4.2
121.03954	9.3
121.06477	7.2
121.07622	1.8
121.10123	59.0
122.06008	6.5
122.09653	11.5
122.10451	2.8
123.08042	11.4
133.07587	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03933	3.9
55.05507	2.9
63.94989	0.8
65.03936	13.1
67.05492	1.6
69.26533	4.0
74.49467	0.6
77.03915	5.4
79.05485	38.0
81.03409	0.8
81.07052	1.8
89.03931	0.8
91.05472	22.9
91.06048	1.1
93.03390	0.9
93.04536	0.7
93.07038	32.8
94.07368	1.2
95.04958	18.9
103.05462	20.7
104.05035	0.7
105.04520	6.4
105.07020	100.0
106.07866	6.9
107.07333	3.4
107.08004	0.8
111.04435	5.4
119.07764	0.8
119.08578	13.9
121.02849	15.6
121.03960	8.5
121.06514	6.6
121.10130	52.1
122.06021	1.4
122.09648	4.8
122.10451	1.5
123.07174	0.9
123.08054	11.9
133.07608	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.16737	0.9
53.03947	5.4
55.05506	8.5
61.05566	0.9
65.03925	1.9
65.19862	0.9
67.05489	2.0
77.03921	3.3
79.05487	59.2
80.05817	1.9
80.06246	1.6
81.07047	2.4
88.43710	0.8
91.05473	33.8
92.05797	1.5
93.04516	2.8
93.07037	62.2
94.06567	1.2
94.07320	1.4
95.04964	23.1
103.05465	22.0
105.04539	10.0
105.07021	100.0
106.07870	7.5
107.07286	1.9
119.08562	13.6
119.15851	0.8
121.02885	1.8
121.03976	3.8
121.06498	6.5
121.10136	56.5
122.06031	2.0
122.09666	4.3
122.10418	1.8
123.08060	11.6
127.09923	0.8
133.07591	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02370	1.8
53.03944	4.8
55.01657	0.9
55.01868	10.0
55.05503	9.2
59.97778	0.8
65.03938	11.8
67.05499	40.0
67.05867	2.0
77.03919	5.7
78.01754	0.8
79.05486	92.0
80.05815	2.2
80.06252	1.2
80.30604	0.8
81.07059	1.6
91.05473	39.9
92.05779	1.5
93.07036	100.0
94.06576	1.4
94.07382	2.5
95.04346	1.7
95.04958	31.5
103.05460	20.0
105.04500	14.2
105.07020	41.7
106.07827	1.3
107.07332	12.7
111.04443	2.7
119.08562	3.4
121.02879	11.2
121.03996	6.5
121.06499	52.5
121.10131	39.1
122.06005	2.7
122.06825	2.1
122.09666	17.1
122.10508	1.1
122.88207	0.9
123.08121	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01582	1.2
50.51947	0.3
51.02374	3.9
53.03942	3.0
55.01863	5.0
55.05494	1.0
59.75804	0.4
63.03766	0.4
65.03926	3.9
67.05496	27.3
68.05025	1.0
73.67358	0.4
77.03918	12.5
78.03443	1.6
79.05474	2.0
80.05006	21.2
81.03369	0.6
81.07050	9.1
82.01411	0.4
82.99839	0.6
93.07011	0.5
93.10618	0.4
94.05295	0.9
95.04956	34.1
95.06046	1.3
95.08577	2.0
96.03864	0.7
96.04478	11.8
96.05230	0.8
100.02467	2.1
101.00861	7.0
105.03386	12.8
105.04479	7.7
106.02896	1.7
106.03601	0.4
106.07346	0.8
108.06950	0.4
108.07665	0.7
111.05550	1.2
112.03948	8.2
118.03528	2.2
119.01903	52.5
123.04414	100.0
123.05520	52.1
123.07944	2.9
123.09151	1.7
123.10004	1.4
123.11676	1.4
124.03934	18.7
124.04729	1.3
124.05868	1.1
124.07557	1.1
131.99031	0.4
137.02936	30.2
139.04982	1.3
140.03378	4.4
140.04285	0.5
142.03426	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	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01601	1.2
51.02378	3.8
53.03944	2.6
55.01866	1.1
65.03933	1.1
67.05500	7.9
68.05028	0.3
68.64564	0.2
69.15806	1.1
76.19053	0.2
77.03925	16.3
78.04276	0.3
79.05480	0.4
80.05019	3.9
81.03419	0.4
81.07044	1.4
85.17036	0.2
95.04963	16.9
95.08608	0.5
96.04487	1.9
96.05241	0.3
98.23526	0.5
101.00863	1.2
105.03391	15.0
105.04483	5.9
106.02897	0.3
106.03623	0.2
106.07349	0.3
111.05571	0.4
112.03953	0.8
118.03548	0.2
119.01919	6.1
123.04424	100.0
123.05487	7.9
123.08001	2.4
123.10003	0.6
123.56416	0.2
124.03935	3.2
124.04777	1.6
137.02928	2.2
138.90883	0.2
139.04955	0.3
140.03362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01589	2.1
50.09769	0.9
50.33691	1.0
51.02375	8.0
51.15292	0.9
53.03940	5.8
55.01875	5.8
55.05527	1.2
65.03941	6.3
67.05503	20.2
68.05007	1.5
77.03924	19.2
78.03451	3.0
79.05493	3.4
80.05013	27.7
81.03416	1.7
81.07058	9.0
83.20878	1.0
91.05480	1.3
95.04960	36.9
95.06031	2.3
95.08611	3.7
95.31004	1.0
96.04485	11.4
98.22730	2.9
100.02482	2.4
101.00871	5.5
105.03390	16.1
105.04496	11.2
105.07028	1.1
106.02913	2.1
106.07329	5.0
107.07352	1.6
108.07643	7.2
110.23751	0.9
111.05566	3.1
112.03957	9.5
112.54262	0.9
113.61938	1.0
119.01914	34.1
123.04433	100.0
123.05544	56.4
123.08061	9.9
123.09153	2.8
123.09984	9.3
124.03937	19.7
124.04733	2.0
124.07609	1.3
137.02939	15.3
139.05022	2.0
140.03418	3.0
142.03476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02376	0.7
51.59332	0.5
53.03943	2.7
55.01862	1.3
55.05506	9.0
57.07060	2.3
57.69983	0.6
60.48188	0.5
63.03096	0.5
65.03928	2.3
67.05496	38.5
68.05016	1.8
68.05807	0.7
69.03419	2.4
69.07057	0.9
77.03922	2.1
78.03442	1.5
79.05483	10.9
80.05013	21.1
80.05766	1.0
80.06274	1.4
81.03423	1.2
81.04485	0.5
81.07049	41.5
82.07380	1.3
91.05485	1.8
93.07040	6.5
95.04961	23.9
95.05994	1.2
95.08595	25.7
96.04478	12.5
96.08904	0.9
97.86180	0.5
100.02485	1.7
101.00856	6.1
103.05447	1.3
104.42379	0.5
105.03374	1.2
105.04514	2.3
105.07015	8.1
105.26962	0.5
106.02899	1.5
106.07344	1.6
107.04945	1.3
107.21819	0.5
108.05724	11.2
108.07648	2.8
111.05556	2.1
112.03961	10.0
118.03500	1.3
119.01908	43.0
121.06556	1.1
121.10093	0.8
123.04441	11.9
123.05542	44.8
123.08053	100.0
123.09877	4.2
123.11678	8.9
124.03942	22.8
124.05876	0.9
124.07560	1.8
124.08395	3.8
137.02943	20.7
137.03969	1.2
139.04987	1.0
140.03418	4.9
142.03511	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.01275	0.3
53.03941	1.6
55.05507	4.3
57.07069	4.8
63.80387	0.3
65.03945	0.6
67.05500	11.8
68.05051	0.4
69.07063	2.9
69.28252	0.9
69.28641	0.5
79.05485	14.2
80.05013	3.9
80.05809	0.5
81.07050	100.0
81.75417	0.3
82.07368	3.0
91.05492	0.4
93.07034	2.2
94.07816	1.2
95.04963	0.7
95.06096	0.4
95.08597	13.2
96.04495	2.1
100.02458	0.4
101.00873	1.4
105.07018	0.8
108.09390	0.8
111.05538	0.5
112.03939	1.0
119.01913	10.3
121.10114	1.0
123.05538	8.5
123.08054	1.0
123.09177	1.2
123.11696	22.5
124.03947	3.4
124.07578	1.2
124.08665	0.6
124.12043	0.9
137.02950	4.8
140.03389	0.7
142.03484	0.6
142.93465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03942	1.4
55.05508	4.7
56.21207	0.3
57.07069	4.7
62.82440	0.4
65.03941	1.1
66.04704	0.4
67.05498	12.4
68.05831	0.4
69.07057	3.0
71.03036	0.5
74.28336	0.3
78.03457	0.4
79.05487	15.2
80.05014	5.2
80.05811	0.5
81.07050	100.0
82.07378	3.2
93.07021	2.4
94.07834	0.6
95.04932	0.6
95.06100	0.4
95.08595	15.0
96.04483	2.4
96.08963	0.4
100.02502	0.6
101.00860	1.7
106.02867	0.5
108.09363	1.2
111.05559	0.7
112.03948	1.4
118.03510	0.7
119.01908	15.2
121.10146	1.5
123.05540	13.3
123.06435	0.7
123.08071	1.2
123.09159	1.6
123.11693	24.9
124.03946	3.9
124.07560	1.1
124.08655	0.4
124.12047	1.2
137.02953	7.1
140.03404	0.9
142.03499	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05504	4.5
57.07064	5.2
61.12666	0.5
67.05499	12.2
68.05035	0.6
69.07058	2.8
78.03441	0.6
79.05485	13.7
80.05014	13.3
80.05766	0.7
81.07050	100.0
82.07377	3.0
93.07029	2.3
94.07804	1.2
95.04964	1.4
95.06095	1.3
95.08601	16.8
96.04491	6.6
96.08965	0.7
100.02480	1.7
101.00863	4.7
105.06972	0.7
106.02906	1.0
106.95414	0.5
108.09357	1.1
111.05560	1.2
112.03943	4.6
118.03504	1.6
119.01912	42.7
121.10155	1.1
123.05544	31.2
123.08059	2.3
123.09189	2.4
123.11695	28.2
124.03108	1.1
124.03946	13.9
124.05902	1.3
124.07581	2.6
124.11976	0.6
129.18362	0.6
137.01892	1.4
137.02945	25.1
139.05017	0.9
140.03433	2.1
142.03496	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80041	0.2
71.18549	0.2
82.99829	2.7
85.60722	0.2
89.00320	0.2
100.02490	0.6
101.00871	32.1
102.00930	0.9
113.55012	0.2
118.03538	0.3
119.01907	100.0
120.01988	3.5
121.02337	0.5
124.02422	0.4
124.03954	0.4
137.02942	26.5
138.03006	0.8
142.03481	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13204	0.1
58.99845	0.2
61.07423	0.2
66.33620	0.1
69.88446	0.3
69.88805	0.3
75.45218	0.1
82.99837	2.8
100.02452	0.5
101.00876	29.3
102.00942	0.9
111.00419	0.2
112.03956	0.2
118.03498	0.2
119.01913	100.0
120.01998	3.2
121.02315	0.4
124.02435	0.4
126.41991	0.1
137.02950	25.8
138.03015	0.9
142.03490	4.2
143.03581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99868	0.2
60.00629	0.2
69.30550	0.1
71.17071	0.2
78.81300	0.1
80.45819	0.1
82.01414	0.2
82.99830	2.4
85.14062	0.1
100.02490	0.4
101.00866	31.2
102.00905	1.1
102.02193	0.2
119.01903	100.0
120.01968	3.5
121.02316	0.5
124.02442	0.5
137.02937	25.7
138.03024	0.9
139.03403	0.1
142.03484	4.2
143.03809	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28623	0.1
58.99849	0.2
60.87685	0.1
70.00701	0.4
74.03413	0.1
74.05397	0.1
82.01441	0.2
82.99834	2.6
100.02469	0.7
101.00871	30.5
102.00933	0.9
112.03973	0.2
119.01909	100.0
120.01981	3.4
120.03209	0.2
121.02351	0.4
124.02475	0.3
124.03966	0.5
124.07579	0.2
130.18510	0.2
137.02945	25.5
138.03043	1.1
139.03355	0.2
141.13219	0.2
142.03488	3.9
142.04536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03104	0.2
58.99838	0.2
69.04480	0.2
70.60815	0.5
72.30657	0.2
80.04991	0.2
82.01413	0.2
82.05307	0.4
82.99830	2.0
83.01493	0.5
95.54344	0.2
98.23533	0.2
100.02484	0.9
101.00868	25.5
101.02600	0.7
102.00951	0.8
102.02232	0.2
109.03922	0.2
110.04777	1.9
112.03922	0.5
114.08386	0.2
118.03494	0.3
119.01906	100.0
120.01985	3.7
121.02344	0.3
124.02410	0.5
124.03889	1.1
125.07095	1.4
137.02940	29.8
138.03020	1.4
139.03355	0.2
142.03485	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	125.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	3.5
51.02375	12.4
51.78039	0.9
53.00295	2.4
53.03939	2.6
55.01870	12.7
55.05507	4.6
56.05033	1.7
60.52975	0.9
65.03925	2.9
69.03416	4.0
69.04547	11.3
69.07075	1.5
70.06570	2.3
71.01345	1.3
72.98493	0.9
78.17245	0.8
79.01440	1.2
79.01850	13.3
79.05488	4.3
80.05007	10.5
81.03403	2.2
81.04506	1.7
81.07049	4.9
82.05296	1.3
82.06587	1.9
83.04973	6.6
83.06088	3.8
83.49828	1.1
84.04496	1.2
84.08149	1.0
84.96024	1.6
90.03450	2.7
91.05441	1.3
95.06100	1.4
96.04497	1.1
96.06866	2.8
97.02882	100.0
97.03982	6.5
97.06523	1.3
97.07627	1.7
97.10150	1.2
98.03214	2.0
98.06046	1.1
98.99992	2.6
99.55610	1.1
101.00957	1.1
102.00904	4.5
102.02236	0.9
107.01315	13.2
107.06071	8.9
107.08559	2.1
108.04464	23.9
110.04779	2.6
111.04435	0.9
113.03476	2.8
113.04316	3.8
119.01907	8.4
120.01993	38.6
121.01652	12.5
125.02338	16.9
125.03461	5.6
125.04259	7.7
125.06003	4.0
125.07101	17.3
125.07976	1.5
125.09620	6.9
125.10715	2.8
126.01048	3.4
126.05495	18.2
137.02939	4.7
138.03027	23.1
139.02679	6.0
143.03609	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	125.0711
Annotation	Methylimidazole acetaldehyde
Peak:m/z	Relative Intensity
54.03449	0.5
54.28195	0.2
54.91950	0.2
55.04245	0.3
56.96555	0.5
68.05030	0.6
69.04549	2.6
70.06599	0.2
70.34679	0.4
71.04981	0.4
72.59826	0.2
80.05022	0.3
81.04534	3.0
82.05315	17.5
83.03711	0.5
83.05643	0.4
83.06098	1.2
83.99921	0.2
93.04543	0.5
95.06072	1.4
96.04487	0.4
96.06854	1.3
97.04012	0.9
97.05270	0.6
97.07650	0.7
98.06061	1.5
101.00886	1.0
102.00937	4.7
102.02191	0.9
103.00647	2.0
103.01265	0.3
105.42390	0.2
107.06100	0.3
108.04456	1.1
109.03995	12.5
110.04774	100.0
111.05108	1.6
119.01907	3.7
120.01994	18.2
120.45919	0.2
121.01656	8.6
125.03474	0.6
125.07103	61.2
126.05463	0.3
126.07478	1.2
137.02939	0.8
138.03041	5.6
139.02678	2.6
143.03642	1.0
144.03189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0313
Annotation	D-(1-Aminoethyl)phosphonate
Peak:m/z	Relative Intensity
50.01588	1.8
51.02375	1.6
52.03161	6.0
53.03936	3.9
55.01875	5.9
55.05500	1.5
56.05029	0.8
58.00567	0.6
64.01634	0.6
68.99790	0.7
69.03412	1.4
70.04178	0.5
70.06579	1.7
71.04975	1.0
75.10623	0.5
80.02647	4.5
80.05010	7.9
81.03409	5.7
81.07027	0.9
84.04487	0.9
84.08135	2.1
84.96019	2.1
97.02885	2.8
98.03671	6.7
98.06044	2.0
98.98457	0.8
99.04433	2.0
103.00620	1.8
108.02100	6.6
108.04470	31.1
109.02894	4.1
109.04762	0.7
116.29524	0.5
121.01656	14.7
121.02377	0.6
125.02345	1.3
126.03125	100.0
126.05505	34.5
126.09119	2.7
127.03844	3.9
127.05860	0.7
127.07321	1.1
139.02672	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	127.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03950	3.8
54.04726	2.3
55.01869	2.0
55.05508	1.2
57.03431	0.8
63.02368	3.5
64.03156	5.6
64.03745	0.4
65.02675	1.1
65.03944	2.2
67.01836	0.5
67.05498	1.4
69.03428	5.1
69.07066	1.3
70.32006	1.0
70.76527	0.5
71.01349	0.5
71.04978	2.7
71.84834	0.6
73.65269	0.5
74.98180	0.9
80.05015	1.2
81.03411	10.1
81.05793	1.1
81.07063	1.3
82.06568	1.8
83.01331	0.8
83.08640	0.7
84.08139	1.6
90.03423	2.1
91.04221	30.1
92.04523	0.7
92.05009	8.4
97.02886	8.1
98.23370	0.6
99.04459	2.1
100.00346	1.7
100.07577	1.0
100.99720	2.8
101.00288	0.7
108.04491	0.7
109.02877	3.6
109.05255	78.1
109.10169	1.0
110.06035	1.8
110.06758	0.6
127.01846	100.0
127.05866	1.2
127.09521	1.3
128.00752	4.4
128.02184	1.9
128.06235	0.7
128.07082	1.1
128.10724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.02375	1.8
53.03942	53.7
54.04287	1.9
55.01869	32.5
55.05503	9.2
57.03439	11.2
57.80089	1.8
62.92180	1.5
67.01861	5.1
67.05502	53.2
69.03424	53.7
69.03796	2.7
69.07040	3.0
69.54452	1.6
70.06604	4.2
71.01340	3.0
71.04987	29.6
72.04512	4.9
72.32509	1.7
81.03413	100.0
81.07053	7.5
82.03762	1.7
82.06562	9.1
83.01339	10.7
84.08157	5.2
85.02908	7.6
85.06534	3.1
85.15522	1.8
85.68715	1.5
97.02884	88.8
98.98464	2.9
99.04438	25.4
100.07616	6.7
105.54900	1.5
109.02867	38.7
109.03549	2.8
109.04777	3.2
109.07664	1.6
109.10179	4.4
110.06018	3.6
127.03909	47.6
127.07347	2.9
128.06223	9.2
128.07072	5.9
128.10718	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	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.02367	2.0
52.71896	1.3
53.03943	66.0
54.04260	1.4
55.01862	2.2
55.05502	2.4
57.03434	7.9
67.01872	1.5
67.05494	1.7
68.68392	1.4
69.03423	16.7
69.22372	4.2
69.22775	3.0
71.04987	41.7
72.05303	1.6
78.15422	1.3
78.15958	1.4
79.05509	1.4
81.03408	100.0
81.07029	2.5
82.03743	1.9
82.06581	3.4
83.01339	1.3
84.08124	3.7
85.02893	3.0
85.07761	1.3
88.77916	1.4
97.02889	16.2
98.98450	1.8
99.04445	93.1
100.04790	2.1
102.08991	1.3
109.02871	24.9
109.04752	1.5
125.02423	1.4
127.03908	16.4
128.06210	3.2
128.07083	1.9
140.35440	1.5
141.07774	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91544	0.2
55.05496	0.2
56.01036	0.2
56.05030	1.3
56.96558	0.7
57.03421	0.6
57.07076	0.6
60.05640	6.3
67.05492	0.9
68.05016	0.3
69.03423	6.1
69.03802	0.3
69.07072	1.1
70.06584	100.0
70.65643	0.3
71.04984	12.2
71.06110	0.6
71.06918	2.0
72.08153	0.3
74.63665	0.2
77.00874	0.2
82.06586	0.4
84.04495	4.9
84.08134	16.0
85.06535	1.8
85.08498	0.3
86.09692	0.4
88.00695	0.2
88.07616	0.9
94.06544	0.3
98.97580	0.2
100.02483	0.3
101.00857	0.4
106.01710	0.5
112.07600	14.4
112.08724	7.2
112.11234	1.2
113.05956	0.2
113.07215	0.2
113.07959	0.5
113.09028	0.3
116.98633	0.2
119.01903	0.5
121.01665	1.1
130.05002	0.3
130.06528	0.7
130.08638	4.1
130.09750	4.5
130.10677	0.2
130.12265	8.4
130.15919	0.3
131.12579	0.2
139.02707	0.4
147.27956	0.2
148.02698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
51.40314	1.3
56.05030	2.7
57.07072	86.2
58.07410	2.0
62.52990	1.1
66.27580	1.0
69.03426	40.1
69.07061	6.4
70.54184	1.4
74.09714	52.3
77.05029	1.0
80.05629	1.1
82.06565	1.7
83.09701	1.1
84.04499	21.9
84.07673	1.8
84.08142	25.5
97.54221	1.2
103.05457	23.4
112.07597	92.1
113.07919	3.5
130.05017	1.8
130.06525	15.0
130.08640	17.2
130.15909	100.0
131.04919	2.5
131.16273	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
51.02378	0.5
53.03942	1.0
57.03437	0.2
58.24024	0.1
62.96967	0.1
65.23841	0.1
69.03444	0.2
69.70200	0.5
77.03922	2.4
85.08469	0.5
91.05476	4.6
92.04341	0.1
93.64063	0.1
95.04961	7.8
96.05312	0.2
102.04683	1.0
102.97200	0.1
103.05461	100.0
104.05788	2.9
105.04507	3.4
105.06953	0.1
113.07912	0.7
115.05444	0.3
116.06228	1.4
129.07005	0.8
131.04921	10.3
131.08546	4.1
132.05260	0.5
132.08914	0.2
139.53477	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
51.02374	0.5
53.03946	1.2
65.99364	0.2
69.03426	0.2
70.03750	0.3
77.03921	1.9
77.80556	0.2
79.00232	0.2
85.08482	0.7
91.05476	4.4
95.04959	7.6
102.04662	1.0
103.05459	100.0
104.05788	3.3
104.38371	0.2
105.04510	3.7
106.40258	0.2
113.07954	1.2
115.05392	0.2
116.06245	1.2
129.06998	0.8
131.04912	11.0
131.06918	0.4
131.08531	3.6
132.05199	0.2
132.06561	0.3
137.86852	0.2
144.08037	0.2
144.47803	0.2
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
51.02374	0.5
53.03946	1.2
65.99364	0.2
69.03426	0.2
70.03750	0.3
77.03921	1.9
77.80556	0.2
79.00232	0.2
85.08482	0.7
91.05476	4.4
95.04959	7.6
102.04662	1.0
103.05459	100.0
104.05788	3.3
104.38371	0.2
105.04510	3.7
106.40258	0.2
113.07954	1.2
115.05392	0.2
116.06245	1.2
129.06998	0.8
131.04912	11.0
131.06918	0.4
131.08531	3.6
132.05199	0.2
132.06561	0.3
137.86852	0.2
144.08037	0.2
144.47803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.2
51.02383	0.6
53.03944	1.8
57.03426	0.2
57.07114	0.2
59.80929	0.2
60.22691	0.1
65.03944	0.2
67.83374	0.2
69.03422	0.4
69.45052	0.2
70.03759	0.3
70.36919	0.2
77.03910	1.5
85.08472	0.7
91.05473	11.8
92.05791	0.3
95.04957	8.2
98.22612	0.3
102.04683	1.2
103.05457	100.0
104.05056	0.3
104.05779	2.8
105.04504	3.4
105.06967	0.2
113.07926	1.5
115.05441	0.9
116.06255	2.7
128.06174	0.2
129.07007	1.8
130.07317	0.4
131.04915	9.5
131.06885	0.8
131.08548	11.5
132.04393	0.2
132.05287	0.5
132.06557	0.2
132.08041	0.2
132.08896	0.3
133.06415	0.2
144.08069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.2
51.02383	0.6
53.03944	1.8
57.03426	0.2
57.07114	0.2
59.80929	0.2
60.22691	0.1
65.03944	0.2
67.83374	0.2
69.03422	0.4
69.45052	0.2
70.03759	0.3
70.36919	0.2
77.03910	1.5
85.08472	0.7
91.05473	11.8
92.05791	0.3
95.04957	8.2
98.22612	0.3
102.04683	1.2
103.05457	100.0
104.05056	0.3
104.05779	2.8
105.04504	3.4
105.06967	0.2
113.07926	1.5
115.05441	0.9
116.06255	2.7
128.06174	0.2
129.07007	1.8
130.07317	0.4
131.04915	9.5
131.06885	0.8
131.08548	11.5
132.04393	0.2
132.05287	0.5
132.06557	0.2
132.08041	0.2
132.08896	0.3
133.06415	0.2
144.08069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02375	0.3
53.03941	1.7
55.68072	0.2
56.05024	0.3
57.03418	0.4
57.07063	0.5
58.06583	0.2
66.21399	0.2
67.07861	0.1
69.03413	0.6
69.67915	0.2
70.03754	1.2
71.41315	0.2
71.92975	0.2
72.04504	0.2
72.08154	0.4
72.93767	0.4
74.09695	0.2
75.63886	0.2
77.03911	1.6
84.05672	0.2
84.08144	0.2
85.04826	0.3
85.06409	0.4
85.08463	0.7
86.06053	0.2
90.90380	0.7
90.94832	0.3
91.05470	3.9
95.04960	7.7
95.70351	0.2
97.44878	0.2
102.04670	1.3
103.05456	100.0
104.05046	0.4
104.05777	2.8
105.04501	3.7
113.07229	0.3
113.07931	3.3
113.09653	0.3
115.05429	0.2
116.06247	1.0
129.06993	0.5
130.15900	0.5
131.04919	9.6
131.05965	0.5
131.06937	0.9
131.08507	3.6
131.16232	0.3
132.04431	0.6
132.05293	0.3
132.06528	0.5
133.06483	0.2
139.71175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.3
51.02380	0.5
51.32298	0.2
53.03939	1.3
70.03760	0.3
77.03915	2.1
85.04762	0.2
85.08469	0.5
88.99141	0.2
89.97210	0.2
91.05476	3.4
95.04959	6.9
102.04676	1.2
103.05460	100.0
104.05787	3.2
105.04507	3.2
113.07920	0.7
115.05471	0.3
116.06229	0.7
128.06247	0.2
129.06985	0.5
131.04921	10.2
131.06885	1.0
131.08524	3.1
132.05276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.2
51.02379	0.5
53.03945	1.4
57.03433	0.1
63.02369	0.1
69.03432	0.1
69.39912	0.4
70.03751	0.2
77.03922	2.3
81.03439	0.2
84.04518	0.1
84.08128	0.1
85.08476	0.2
86.09718	0.2
91.05471	3.2
95.04961	8.7
95.79232	0.1
96.05282	0.2
102.04684	1.2
103.05460	100.0
104.05078	0.2
104.05795	3.3
105.04508	3.4
105.05193	0.2
106.04819	0.2
113.07923	0.7
115.05456	0.3
116.06255	0.8
129.06985	0.4
131.04916	9.1
131.06924	1.2
131.08536	3.0
132.05287	0.2
132.06549	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	131.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56726	0.6
53.33966	0.6
53.91752	0.6
55.05510	0.6
56.03767	2.0
56.96565	10.5
57.02765	0.5
57.03430	1.8
60.05640	3.5
61.02912	0.8
65.15836	0.6
69.03419	2.9
69.07088	0.8
69.81693	1.2
69.82064	1.1
70.03757	2.6
71.01338	1.1
71.06911	1.3
72.04500	1.1
72.08148	17.1
73.02902	1.1
77.28291	0.6
83.00798	0.7
84.05623	27.5
84.08147	1.4
85.02902	1.2
85.06402	100.0
85.08458	5.6
86.06756	1.1
86.09698	5.1
92.01325	0.6
95.63100	0.7
98.01291	0.7
98.79260	0.6
98.97567	4.7
101.05862	4.1
110.01294	0.8
113.07213	1.1
113.07927	9.1
114.09168	2.8
114.10283	2.3
116.98595	2.3
119.01821	1.8
128.98660	1.0
131.05664	1.0
131.08972	2.2
131.12776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
53.84392	0.7
56.05018	0.9
57.03425	1.7
58.02952	0.6
65.03927	1.1
69.03404	0.7
69.10625	4.0
70.03750	0.7
72.04549	0.6
79.92857	0.5
85.08456	0.8
86.09701	0.6
90.90372	1.1
91.05474	100.0
92.05799	2.6
92.36596	0.6
95.64254	0.5
98.22748	1.1
103.05468	5.4
105.04462	0.6
105.07036	0.7
113.07944	3.9
115.05449	11.3
116.06237	27.5
128.06213	2.3
129.07002	17.2
130.07303	1.9
131.04985	3.5
131.06897	2.1
131.08556	85.5
131.16267	0.6
132.06549	1.6
132.08028	0.9
132.08911	2.9
133.06479	1.1
133.36578	0.6
143.06021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93976	0.5
53.03936	0.7
56.58781	0.5
57.03431	1.5
58.07409	0.6
61.16299	0.5
64.03005	0.4
65.03921	0.6
84.04524	0.6
85.08469	0.8
90.90311	0.6
91.05469	100.0
92.05811	3.3
103.05456	3.2
105.07008	1.2
113.07948	2.5
115.05440	7.6
116.06245	27.2
117.06546	0.8
118.97238	0.5
128.06233	1.2
129.06990	17.8
130.07326	3.3
131.08551	97.3
132.06584	1.2
132.08881	4.4
133.06480	1.0
143.06030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03933	0.9
57.40145	0.4
60.12997	0.5
65.03922	0.7
71.25091	0.7
91.05468	100.0
92.05801	3.4
95.04966	0.7
103.05469	4.7
105.07042	0.7
108.40675	0.4
113.07918	1.1
115.05450	9.1
116.06240	28.7
117.05286	0.5
117.06556	0.6
128.06224	2.7
129.06993	17.3
130.07300	2.1
131.04907	4.2
131.08548	85.8
132.04446	0.6
132.08006	0.8
132.08890	4.3
143.06038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
65.03938	1.0
68.14293	0.5
71.05823	0.6
71.06149	0.7
84.04452	0.5
91.05473	100.0
92.05804	3.0
103.05453	3.1
105.06986	1.2
113.03873	0.6
113.07936	1.1
115.05427	7.0
116.06246	26.8
117.06547	0.6
128.06209	1.5
129.06990	16.3
130.07326	4.6
131.08557	89.3
131.16280	0.7
132.06612	0.8
132.08873	4.1
133.06491	0.9
143.06038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
56.65123	0.5
65.03924	0.9
70.04479	1.3
71.72973	0.5
74.65963	0.6
90.06878	0.4
91.05470	100.0
91.78119	0.5
92.05803	2.5
98.22762	0.7
103.05457	2.0
105.07059	0.9
105.72290	0.5
113.07874	0.7
115.05441	7.2
116.06230	22.8
117.06534	0.7
128.06200	1.6
129.06999	14.5
130.07355	0.8
131.08551	82.7
132.08896	3.6
133.06490	1.0
143.05991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
57.03422	3.0
64.41994	1.4
69.03384	1.2
69.10988	6.9
70.03761	1.9
71.39069	1.3
84.08118	1.5
90.90358	8.1
91.05475	100.0
92.05803	2.6
95.43641	1.2
103.05465	2.9
103.82961	1.3
113.07220	1.3
113.07944	5.6
115.05468	7.4
115.73853	1.3
116.06261	22.9
129.07002	18.2
130.07358	4.0
131.06929	2.6
131.08559	88.6
131.16249	3.2
132.06537	3.0
132.08859	4.8
149.94131	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72339	0.2
53.03932	1.0
61.38231	0.3
65.03941	0.8
67.15591	0.3
71.38566	0.4
79.94418	0.3
91.05473	100.0
92.05808	3.4
95.04976	0.4
103.04839	0.5
103.05463	4.5
105.07027	0.7
115.05447	8.1
116.06236	26.7
117.06554	1.1
119.27205	0.3
128.06229	1.8
129.06996	16.6
130.07310	1.6
131.04926	2.6
131.08557	88.6
132.08000	0.4
132.08900	3.3
133.06461	1.2
143.06061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03940	1.0
62.75558	0.3
65.03934	0.8
68.61812	0.3
69.38475	0.4
71.43007	0.3
72.17067	0.3
87.91085	0.3
91.05471	100.0
92.05801	3.2
93.63811	0.3
103.05458	4.4
105.07023	1.3
113.07985	0.4
115.05449	7.6
116.06237	28.3
117.06577	1.0
128.06215	1.6
129.06993	15.9
130.07368	1.8
131.04915	2.5
131.08554	90.4
132.07986	0.4
132.08897	3.8
133.06483	1.2
143.06023	0.8
145.06488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
57.03430	0.5
65.03929	1.0
66.56276	0.5
69.03429	0.6
83.39733	0.4
84.22956	0.4
87.23154	0.4
91.05473	100.0
92.05811	2.7
95.04976	0.7
100.24958	0.5
103.05452	5.0
105.07019	1.0
113.07939	1.4
114.38277	0.4
115.05455	8.7
116.06238	24.5
117.06554	0.9
128.06215	1.8
129.06995	17.3
130.07306	1.2
131.04945	3.8
131.08553	87.7
132.08902	3.9
133.06483	1.2
143.06018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03925	1.1
53.46218	0.7
55.72215	0.7
57.03442	0.7
63.47584	0.7
65.03951	0.8
67.52162	0.8
69.08911	5.2
74.98761	0.7
76.29755	0.9
86.44199	0.7
91.05475	100.0
92.05843	1.0
103.04832	1.2
103.05462	10.1
105.07047	1.1
115.05425	7.6
116.06236	24.1
128.06256	1.2
129.06996	14.8
131.08560	93.5
132.08919	3.2
133.06491	0.9
138.69496	0.7
143.05994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.1067
Annotation	Ethyl 2-methyl butyrate
Peak:m/z	Relative Intensity
53.03942	1.0
55.05509	1.5
57.03431	3.1
57.07069	100.0
58.07404	2.1
67.05517	1.9
69.03419	0.4
69.07063	1.1
70.03767	1.0
70.43610	1.0
71.04971	1.7
75.04491	0.5
85.06532	31.6
85.08508	0.8
86.06884	0.8
91.05469	6.6
95.04970	1.3
95.08593	3.2
103.05455	9.1
103.06091	0.6
105.04506	0.4
113.07933	2.5
113.09633	11.8
115.05478	0.6
116.06241	1.8
129.07010	1.2
131.04944	2.1
131.05875	0.4
131.06943	0.8
131.08508	5.4
131.10666	0.5
131.16232	0.7
132.06573	0.6
132.08081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0444
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01593	0.2
51.02381	0.7
53.03941	1.7
57.03434	0.7
70.69396	0.3
72.04523	0.2
72.93783	0.8
77.03918	3.3
78.03438	0.4
84.04498	0.3
87.16129	0.2
90.90376	0.8
95.04960	9.8
96.04489	1.3
96.59241	0.2
96.91703	0.2
104.04983	67.6
105.03410	1.6
105.04507	4.2
105.05307	1.5
105.07002	0.5
113.64654	0.2
128.52222	0.3
130.03999	0.5
132.04439	100.0
133.04790	2.7
133.10150	0.3
146.46335	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.03943	1.7
53.29192	0.4
56.05036	1.0
57.03444	3.0
58.02963	0.7
58.76864	0.3
60.06064	0.3
66.33469	0.3
69.03432	0.4
69.07079	0.3
70.99627	0.5
72.04520	0.4
72.93777	2.2
77.03912	2.5
78.03471	0.3
84.04483	0.8
86.06060	0.6
86.09684	1.3
90.90376	3.4
90.94831	1.0
91.05487	0.8
92.63558	0.4
95.04956	12.4
96.04499	2.1
99.02010	0.4
103.05462	0.4
104.04983	73.1
104.75054	0.4
105.03436	1.6
105.04502	4.9
105.05301	1.3
105.07021	3.7
106.06548	0.4
108.91402	0.3
112.92154	0.3
114.05521	0.4
117.05748	0.6
132.04439	100.0
132.08075	1.4
133.04768	2.6
133.07579	1.2
133.10112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0808
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
56.05022	0.8
57.03423	1.9
58.02950	0.6
58.32857	0.5
69.07056	1.9
69.77686	1.1
72.04504	0.6
72.93782	1.7
77.03910	0.6
79.05487	2.4
84.04469	0.7
86.09686	0.7
90.04723	0.6
90.90350	2.8
91.05468	2.4
93.05768	0.6
95.04968	1.0
98.22798	0.6
103.05463	1.1
104.04973	2.3
105.07016	12.4
115.05441	17.9
117.05748	54.6
118.06068	1.7
127.56163	0.6
130.06522	7.3
131.07324	4.7
132.04454	4.1
132.08075	100.0
133.06476	2.2
133.07512	1.1
133.08467	2.9
133.10110	0.9
143.06039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.05500	1.7
56.79972	0.6
56.96549	0.9
57.63160	0.7
60.05641	1.6
61.01141	2.5
68.27753	0.6
69.06708	0.9
69.07063	9.7
70.06572	0.8
70.52750	1.6
73.06556	1.6
81.49943	0.8
86.09698	100.0
87.02696	2.4
87.10028	1.6
98.97583	2.3
101.00909	1.8
104.05013	2.0
105.07030	0.8
116.98611	0.8
119.01921	5.7
130.52686	1.6
132.04370	1.0
132.06561	1.5
132.08443	1.1
132.10167	1.4
132.11308	1.1
132.90509	0.8
133.03055	0.7
137.02937	1.6
142.03502	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03204	3.1
51.49998	2.9
55.05495	3.2
56.96583	4.3
58.06586	7.4
58.99558	3.9
61.01147	18.0
69.20023	20.6
69.69621	2.9
70.06571	5.0
72.08150	42.3
73.02921	4.7
79.05467	3.7
84.89013	3.0
87.02692	23.6
90.09187	27.7
91.05482	8.7
93.46114	3.1
95.04964	4.1
101.00873	15.2
105.07027	27.8
119.01910	100.0
120.01986	8.0
121.01615	4.3
130.52696	12.5
131.08543	4.1
132.90523	7.4
133.03371	3.4
133.07619	12.2
133.10127	14.8
134.10796	6.2
134.11755	80.3
137.02957	42.0
142.03499	38.6
143.03603	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.0
53.03926	1.6
55.01868	4.0
55.05496	0.7
65.03915	1.6
67.05472	0.4
69.95201	0.8
69.95557	1.1
77.03918	2.9
79.05488	19.8
80.05816	0.6
81.93598	0.4
91.05481	8.3
92.04939	0.4
93.07024	1.7
95.04961	6.2
103.05463	13.5
105.03390	10.5
105.04523	2.7
105.07022	100.0
106.06605	0.8
106.07360	3.8
107.04971	0.8
111.04435	1.0
115.05444	3.0
117.07014	2.5
118.07860	2.3
131.04967	0.8
131.08540	1.7
133.02847	8.7
133.06493	41.0
133.07568	4.0
133.10109	9.7
133.11026	0.8
134.05975	2.6
134.06859	1.7
134.10512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02363	1.0
53.03926	1.6
55.01868	4.0
55.05496	0.7
65.03915	1.6
67.05472	0.4
69.95201	0.8
69.95557	1.1
77.03918	2.9
79.05488	19.8
80.05816	0.6
81.93598	0.4
91.05481	8.3
92.04939	0.4
93.07024	1.7
95.04961	6.2
103.05463	13.5
105.03390	10.5
105.04523	2.7
105.07022	100.0
106.06605	0.8
106.07360	3.8
107.04971	0.8
111.04435	1.0
115.05444	3.0
117.07014	2.5
118.07860	2.3
131.04967	0.8
131.08540	1.7
133.02847	8.7
133.06493	41.0
133.07568	4.0
133.10109	9.7
133.11026	0.8
134.05975	2.6
134.06859	1.7
134.10512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
54.05063	0.8
55.01851	3.2
55.05498	2.2
55.80690	0.7
55.96691	0.8
57.03426	1.7
59.14066	0.7
61.51195	0.7
64.39513	0.7
69.03408	1.9
69.27172	1.8
69.27573	2.4
77.03913	2.2
77.05931	0.7
78.49417	0.6
79.05488	18.7
85.43031	0.7
90.04682	2.8
91.05469	12.2
93.07040	2.3
95.04961	5.4
95.82906	0.7
98.22762	1.1
103.05459	12.1
105.03379	1.7
105.04505	2.5
105.07021	100.0
106.06561	2.0
106.07359	3.7
107.04945	1.1
115.05443	5.2
117.06984	3.0
118.04161	7.1
118.07777	1.1
131.04968	0.8
131.08571	2.8
132.90573	0.8
133.02905	1.1
133.06488	57.5
133.07567	4.9
133.10117	23.6
134.05981	1.9
134.06906	2.2
153.94073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03933	1.1
55.01863	3.2
55.05508	1.1
66.04704	0.8
69.03423	1.2
69.56659	2.5
71.18847	0.8
77.03915	2.2
79.05485	17.4
90.04687	6.3
91.05487	6.9
93.07014	0.8
95.04968	4.7
95.05450	0.9
103.05464	14.9
105.04515	1.9
105.07021	100.0
106.07351	2.7
107.04899	1.4
115.05437	6.6
117.07020	1.7
118.04145	17.0
118.07784	1.1
131.04872	1.6
131.08542	1.3
133.06482	90.3
133.10117	11.4
134.06824	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1009
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.57798	1.2
65.03941	1.9
67.80241	1.2
68.78387	1.1
75.20062	1.1
78.04710	1.3
79.05466	1.8
91.05471	100.0
92.05793	2.2
92.90076	4.1
103.05486	2.4
104.06237	13.9
105.07030	20.0
106.06549	2.0
111.07173	1.2
133.06752	1.6
133.07559	7.9
133.10126	10.9
151.93715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03942	0.7
53.14324	0.8
55.05507	1.8
55.42752	0.6
61.94649	0.6
64.17572	0.9
65.03931	0.8
65.73612	0.7
69.09335	4.8
74.93170	0.7
79.05490	8.5
88.02213	1.0
91.05475	29.6
92.05801	1.3
93.07018	5.3
95.04961	3.3
103.05468	4.5
105.07023	100.0
106.06543	1.4
106.07338	1.3
107.08582	1.3
110.19769	0.8
115.05462	6.4
116.06194	2.3
117.07012	8.0
118.07825	7.3
129.06966	1.0
131.08548	15.1
133.06560	1.9
133.07581	5.6
133.10120	50.4
134.06015	1.4
134.10483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73009	0.6
51.76309	0.6
53.03933	0.7
55.05503	2.4
57.89135	0.8
62.87128	0.6
65.03905	0.7
70.50499	1.4
79.05482	5.6
85.23439	0.6
91.04936	1.2
91.05475	13.8
93.07033	0.7
95.04964	1.0
98.22798	0.8
102.59280	0.6
103.05441	2.1
105.07023	100.0
106.06631	1.0
106.07358	2.3
117.07016	0.8
131.08548	3.1
133.06560	0.8
133.07596	5.1
133.09171	1.4
133.10120	19.4
134.06015	1.1
134.10461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03941	0.8
55.05506	5.7
65.06583	0.5
67.05505	1.5
69.17057	1.3
69.17456	3.0
76.38443	0.5
79.05476	6.1
82.15198	0.5
85.38599	0.7
91.05470	37.4
92.05796	1.6
93.07038	2.4
95.04946	1.7
103.05444	3.3
105.07015	100.0
106.07355	2.2
107.08566	0.7
113.46530	0.5
114.19796	0.5
115.05428	2.5
117.06985	4.1
118.07780	3.5
126.37540	0.5
131.08557	7.2
133.06570	0.9
133.07599	1.8
133.10112	39.6
134.10468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.5
58.83360	0.9
67.05487	1.4
68.60181	1.0
79.05485	7.6
91.05470	38.3
91.17799	1.0
92.55920	1.2
92.90073	2.5
93.07050	5.6
95.04938	2.3
98.23544	2.3
103.05460	3.7
105.07020	100.0
106.06567	2.0
106.07364	3.1
115.05450	4.7
117.07017	8.5
118.07803	6.8
129.07043	1.2
131.08553	11.2
133.07590	6.5
133.10117	64.8
134.06085	1.3
134.07162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.03271	0.4
53.03927	0.9
53.48655	0.5
55.05508	5.2
65.03928	1.1
67.05511	1.4
69.31734	2.5
69.87630	0.4
77.03903	0.9
79.05479	8.1
91.05471	40.5
92.05798	1.1
92.90079	0.8
93.07035	5.7
95.04955	2.7
98.23476	0.8
103.05455	3.7
103.82572	0.5
104.06230	0.9
105.07020	100.0
106.06676	0.5
106.07333	2.6
107.08571	1.4
115.05437	6.3
116.06222	1.5
117.07003	8.0
118.07811	7.3
129.07048	0.8
131.08553	11.5
132.08971	0.6
133.06548	1.3
133.07591	2.9
133.10115	68.3
134.10478	2.1
141.25615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05261	1.0
55.05499	6.4
56.55478	0.9
57.05183	1.0
62.03441	1.0
65.03922	1.1
65.23472	0.8
67.00164	0.9
67.05479	1.4
79.05478	8.2
91.05470	39.3
92.05761	1.2
92.90068	3.6
93.07021	5.4
95.04964	2.6
100.48032	0.9
103.03535	0.9
103.05466	3.9
105.07019	100.0
106.06561	1.9
106.07333	2.1
115.05444	5.3
116.06296	1.0
117.07017	7.0
118.07809	7.5
131.08554	11.3
133.06664	1.2
133.07587	4.6
133.10115	66.2
134.06036	1.2
134.10483	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05494	4.0
65.03931	1.3
69.54359	1.1
79.05470	7.0
91.05468	39.1
91.90376	1.2
92.90073	6.6
93.07034	4.8
95.04941	2.8
103.05469	3.9
105.07018	100.0
106.06587	2.2
106.07346	2.9
109.08656	1.4
113.35688	1.3
115.05448	4.6
117.07003	6.2
118.07830	6.0
131.08539	10.0
133.07619	8.5
133.10110	57.1
134.10471	1.7
137.11441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05511	4.3
65.03923	1.3
66.66745	0.8
67.05495	2.1
70.39421	0.7
70.39774	1.7
79.05483	6.3
91.05472	41.9
93.07038	4.9
93.83801	0.9
95.04950	2.1
103.05482	3.9
103.44523	0.7
105.04522	1.6
105.07023	100.0
106.07355	2.5
115.05412	5.1
116.06246	1.0
117.07018	7.5
118.07814	8.0
131.08565	12.0
133.10117	69.9
134.10439	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.73009	0.6
51.76309	0.6
53.03933	0.7
55.05503	2.4
57.89135	0.8
62.87128	0.6
65.03905	0.7
70.50499	1.4
79.05482	5.6
85.23439	0.6
91.04936	1.2
91.05475	13.8
93.07033	0.7
95.04964	1.0
98.22798	0.8
102.59280	0.6
103.05441	2.1
105.07023	100.0
106.06631	1.0
106.07358	2.3
117.07016	0.8
131.08548	3.1
133.06560	0.8
133.07596	5.1
133.09171	1.4
133.10120	19.4
134.06015	1.1
134.10461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.68302	0.3
53.03944	0.7
55.05511	2.2
65.03939	0.4
67.05489	0.7
69.54031	0.4
69.54363	1.4
74.51637	0.4
75.45055	0.3
77.03915	1.2
77.70338	0.4
79.05491	9.1
91.05470	22.7
92.06267	0.6
93.07035	5.1
95.04941	2.1
100.08150	0.3
103.05473	4.0
105.07018	56.5
106.07332	1.6
107.08573	1.8
109.56674	0.3
115.05443	6.9
116.06228	1.5
117.07009	8.6
118.07801	8.7
119.08172	0.3
129.06989	0.8
131.08557	7.3
133.10112	100.0
134.10464	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.01604	0.4
51.02377	0.4
53.03936	0.6
55.05507	4.0
59.73783	0.3
64.99152	0.3
65.03934	0.7
67.05502	0.9
70.59701	0.3
70.65522	0.5
77.03925	0.8
79.05487	8.5
85.12617	0.3
91.05473	29.6
92.05776	0.5
92.06290	0.6
93.07037	5.7
95.04955	2.8
103.05462	5.1
105.04513	1.2
105.07022	76.5
106.06660	0.5
106.07324	2.4
107.08599	1.6
115.05448	7.8
116.06254	1.8
117.06176	0.5
117.07014	9.0
118.07800	9.0
129.07002	0.7
131.08560	9.4
133.02878	0.3
133.06462	1.0
133.10118	100.0
134.10442	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03932	1.1
55.05505	5.0
65.03922	0.9
67.05502	1.5
68.90987	0.7
69.14208	5.8
69.14535	1.4
77.03923	1.7
79.05485	8.5
80.87280	0.7
90.95780	0.8
91.05473	37.9
93.07032	9.1
95.04979	4.2
96.09836	0.8
103.05463	4.2
105.07022	92.5
106.07331	2.0
107.08565	2.5
111.58621	0.8
115.05444	7.9
116.06219	1.7
117.07004	10.4
118.07801	7.6
129.07021	1.1
131.08546	13.3
131.60463	0.7
133.06522	1.6
133.10117	100.0
133.47116	0.9
134.10466	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02393	0.6
53.03938	0.8
55.01856	1.3
55.05506	3.7
62.14322	0.6
65.03923	0.9
65.91201	0.5
67.05512	1.0
67.20590	0.5
70.21953	0.5
71.43747	0.5
76.32280	0.6
77.03921	2.2
79.05486	11.4
87.84259	0.5
91.05472	29.2
92.05788	1.0
93.07023	4.8
95.04957	5.6
103.05454	6.3
105.03400	6.5
105.04518	2.1
105.07017	100.0
106.06618	0.7
106.07361	3.2
107.08587	1.0
115.05459	7.3
116.06213	1.3
117.07008	8.4
118.07788	7.9
127.35311	0.6
131.08543	10.5
133.02837	6.3
133.06476	11.8
133.07561	2.9
133.10112	90.6
134.05986	1.5
134.06934	0.6
134.10478	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03940	0.9
55.05511	2.7
65.03928	0.8
66.65795	0.3
67.05503	0.5
69.11151	2.3
72.38126	0.3
77.03928	1.1
78.04733	0.5
79.05489	7.0
91.05475	23.2
92.06247	0.6
93.07041	6.6
95.04987	2.1
95.05517	0.3
103.05458	4.4
105.04530	1.0
105.07024	54.4
106.07358	1.4
107.08589	1.6
115.04642	0.6
115.05447	7.9
116.06271	1.6
117.07011	8.6
118.07796	10.3
129.07048	0.8
131.07831	0.2
131.08553	8.2
133.10120	100.0
134.10425	3.1
154.71796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.45494	1.0
55.05510	4.4
65.03924	1.4
69.13241	0.7
69.58070	1.6
69.58443	2.9
70.17988	0.8
70.33109	0.7
77.03922	2.3
79.05486	12.0
87.90105	0.9
91.05474	31.9
92.05767	1.3
93.07019	7.9
95.04955	4.4
103.05459	7.0
105.04507	1.7
105.07019	100.0
106.06545	3.0
106.07314	2.1
107.08576	2.2
115.05444	12.2
116.06218	1.5
117.07008	10.1
118.07098	1.0
118.07801	10.4
119.10815	0.8
131.08554	15.8
133.02840	0.9
133.06477	7.6
133.07590	4.3
133.10112	99.0
134.05995	4.7
134.10468	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02368	0.7
53.03940	0.9
55.05510	2.4
65.03920	0.7
67.05496	0.6
67.52407	0.5
77.03926	1.5
79.05483	9.0
90.26772	0.5
91.05476	24.8
92.06302	0.6
93.05805	0.6
93.06618	0.5
93.07050	5.4
95.04958	3.3
96.77565	0.5
103.05463	4.5
105.03384	0.8
105.07025	64.9
106.07362	2.0
107.08574	1.4
109.06519	0.5
109.11904	0.5
115.05447	7.3
116.06245	1.2
117.07010	9.5
118.07793	8.0
129.07042	0.7
131.08566	7.6
133.06494	2.8
133.10121	100.0
134.10439	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	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
52.07904	0.3
53.03941	1.2
55.01867	0.5
55.05508	3.3
56.54121	0.4
65.03925	0.9
67.05488	1.1
75.86614	0.4
77.03918	2.0
78.04703	0.4
79.05035	0.8
79.05486	9.9
91.05475	25.7
92.06277	0.5
93.07037	6.0
95.04957	3.7
98.23486	1.2
103.05462	5.1
105.03386	1.6
105.04500	1.4
105.07024	70.1
106.06564	0.4
106.07339	1.9
107.08591	1.8
111.04418	0.5
115.05450	7.7
116.06240	1.8
117.07010	10.1
118.07798	10.7
131.08553	8.5
133.02914	1.0
133.06477	5.7
133.07581	1.8
133.10120	100.0
134.03615	1.3
134.06021	0.9
134.10463	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03942	0.7
54.15712	0.2
55.05501	1.5
55.82787	0.2
60.39235	0.2
60.92514	0.2
65.03934	0.4
67.05498	0.3
67.18243	0.2
77.03929	1.0
79.05489	5.0
79.05939	0.3
82.81651	0.2
88.72369	0.2
91.05476	15.9
92.05784	0.3
93.07043	6.9
94.07362	0.3
94.29259	0.2
95.04969	2.2
98.23468	0.7
103.05460	2.8
105.00143	0.3
105.03416	0.4
105.04518	1.1
105.07024	41.5
106.07365	0.9
107.08578	0.9
115.05450	4.7
116.06209	0.7
117.07005	5.5
118.04197	0.3
118.07803	4.8
129.07034	0.4
131.08559	5.2
133.06503	1.7
133.10120	100.0
134.10461	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	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03934	2.3
59.79816	1.1
60.09477	1.1
63.02388	6.4
72.50909	1.1
74.78728	1.1
77.03930	4.4
79.05492	20.9
89.03915	100.0
90.04256	2.3
91.05476	2.3
93.07018	3.1
95.04971	12.6
105.04514	4.8
105.07026	1.5
107.04950	42.4
107.08596	3.8
108.05335	1.2
117.03376	30.9
135.04414	57.4
135.11732	1.6
136.02141	3.3
138.40056	1.2
140.87132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02374	0.6
53.03934	2.1
55.05510	1.3
63.02363	4.6
67.05495	0.6
68.74960	0.5
69.07062	0.7
70.16102	1.0
77.03916	3.5
79.05041	1.2
79.05487	17.5
81.07043	0.7
82.85342	0.5
89.03911	100.0
90.04224	2.3
91.05476	5.4
93.07027	6.6
95.04346	0.7
95.04956	12.1
105.04509	4.8
105.07034	2.3
107.04945	23.5
107.08575	9.7
108.05277	0.6
109.01109	1.0
109.06540	1.0
117.03370	36.5
118.03751	0.6
119.06066	0.7
119.08604	1.3
135.04408	57.1
135.11696	2.5
136.02158	8.6
136.04788	1.2
136.06187	1.2
145.03947	1.7
146.48877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02370	1.0
53.03937	2.3
63.02372	5.8
65.03918	1.0
69.03421	1.9
69.39740	1.1
69.59313	2.6
69.59705	1.9
73.23750	0.9
77.03922	2.1
79.05492	17.7
81.46497	0.9
89.03910	100.0
90.04225	1.8
91.05472	2.7
93.07035	1.1
95.04952	12.2
105.04498	3.9
105.07024	1.0
107.04947	23.7
107.08597	1.5
109.01114	2.4
117.03370	33.8
118.03788	0.8
125.28173	0.9
135.04407	61.9
135.08018	2.3
136.02153	22.1
136.06177	6.3
136.07593	1.4
145.03970	1.1
150.41737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02367	1.2
53.03945	3.7
55.01857	1.3
55.05489	1.0
63.02384	1.1
65.03944	0.8
68.63029	0.5
70.84084	0.8
75.65556	0.5
77.03928	3.5
79.05488	21.6
80.05017	0.8
89.03915	27.8
90.04221	0.7
91.05470	3.8
93.07058	3.6
95.04961	12.4
105.04522	6.6
105.07006	1.1
107.04951	100.0
107.08579	5.7
108.05266	2.2
109.01091	1.5
109.06538	0.7
117.03373	9.7
119.08584	0.8
135.04419	35.5
135.05446	2.1
135.08046	1.8
135.11710	1.7
136.02148	18.3
136.04787	0.8
136.06180	3.5
136.07581	0.9
145.03937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03928	3.6
53.04857	1.0
55.05503	12.9
57.21928	0.8
59.81537	0.9
67.05497	29.4
69.07056	7.7
71.43095	1.4
76.01312	1.0
77.03919	2.8
79.05485	84.8
80.05018	1.4
80.05803	2.1
81.07046	33.8
82.07375	1.4
83.87877	0.9
91.05471	20.5
93.07035	100.0
94.07350	2.5
95.04951	13.9
105.04489	6.6
105.07012	6.1
107.04904	1.6
107.08582	57.2
108.08951	1.6
109.01114	3.0
109.06510	2.2
119.03523	1.8
119.06049	1.4
119.08580	2.7
133.10172	1.5
135.05544	2.6
135.06609	1.5
135.08058	2.5
135.11679	60.3
136.02142	41.6
136.03802	2.0
136.06146	18.0
136.07431	1.8
136.11139	1.8
136.12056	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.95642	1.7
53.15556	1.9
55.05509	7.1
56.34032	1.9
62.26868	1.7
65.03950	2.8
67.05494	5.2
69.07055	2.8
69.08818	11.5
77.03921	2.5
79.05482	29.1
80.04987	2.2
81.07047	6.8
81.80820	1.7
84.03361	1.8
84.05679	1.7
86.98815	1.7
90.11190	1.8
91.05472	54.2
92.05801	2.0
93.07033	59.4
95.04959	15.7
100.80214	1.8
105.04485	5.3
105.07030	24.4
107.04935	3.3
107.08582	97.3
108.04514	2.2
108.08888	3.0
109.01088	6.8
109.06482	11.0
111.11413	1.7
117.06995	1.8
119.03609	2.5
119.06067	5.2
119.08598	7.9
120.09360	4.4
135.04521	2.2
135.05551	5.2
135.06583	2.9
135.08063	4.6
135.11694	19.0
136.02147	100.0
136.03885	4.1
136.06161	28.0
136.07590	4.8
136.11174	2.2
141.10306	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03943	5.9
55.01864	2.4
55.05508	7.7
63.02375	1.4
65.03944	2.9
69.07062	4.2
73.02716	1.0
73.06798	0.9
77.03925	5.2
79.05487	36.8
80.05002	1.6
81.03410	1.2
81.07050	3.9
86.80972	1.0
89.03913	31.2
89.04458	1.9
90.04279	1.6
91.05476	44.1
93.05820	2.5
93.07037	50.5
94.06600	1.3
95.04966	27.3
102.05907	1.2
103.05485	1.4
105.04504	11.8
105.07024	16.5
107.04949	87.3
107.08588	69.5
108.04609	1.1
108.05312	3.3
108.08115	2.4
108.08916	3.0
109.01092	6.7
109.06518	4.5
117.03368	10.7
117.07032	1.9
119.03539	1.2
119.06071	4.6
119.08569	7.9
120.09396	3.1
133.10197	1.3
135.04420	34.5
135.05478	4.0
135.06479	2.0
135.08052	5.6
135.09021	1.6
135.11687	24.0
136.02153	100.0
136.06190	22.7
136.07564	6.0
136.11172	1.8
136.84499	1.1
137.04608	2.5
150.11443	1.2
150.12721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02390	1.6
53.03944	4.8
55.05513	13.5
55.77739	1.4
62.58848	1.1
63.02370	3.5
65.03936	2.3
67.05499	7.4
69.07065	5.5
70.65810	2.1
71.04729	1.3
77.03931	4.7
79.05491	53.2
80.05029	1.5
80.05823	3.0
81.07053	7.2
89.03915	45.3
90.04237	2.5
91.05478	54.6
92.05754	1.3
93.07042	65.2
94.06557	1.3
94.07329	1.7
95.04968	28.2
105.04535	9.2
105.07022	25.6
107.04951	40.1
107.08589	100.0
108.05280	2.1
108.08176	1.9
108.08932	3.8
109.01076	6.3
109.06493	9.7
115.05467	1.9
117.03365	13.7
117.07014	3.1
119.03564	1.8
119.06076	7.5
119.08585	8.4
120.09356	3.5
133.10210	2.2
135.04428	30.7
135.05530	3.6
135.06573	1.3
135.08041	7.1
135.11687	24.7
135.18745	1.2
136.02158	68.2
136.06163	14.7
136.07591	3.0
136.11208	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.33019	1.8
53.03946	8.2
55.01870	2.2
55.05503	10.7
63.02384	1.8
65.03929	2.7
65.35522	1.6
67.05468	3.8
69.07072	5.2
69.67781	5.6
77.03926	4.0
79.05486	49.8
81.07053	4.8
89.03909	40.4
89.04459	2.5
91.05476	53.6
92.05804	2.7
93.07037	78.8
95.04972	24.0
104.22300	1.5
105.04500	11.2
105.07021	20.1
107.04945	24.3
107.06084	2.7
107.08585	100.0
108.08923	3.2
109.01156	3.2
109.06517	9.4
110.38380	1.7
115.05496	3.4
117.03373	15.0
117.06999	3.3
119.06070	4.5
119.08571	16.0
120.09347	3.1
135.04417	25.6
135.05394	3.2
135.08069	5.6
135.11682	31.5
136.02148	55.6
136.06187	9.1
136.07518	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02378	0.9
53.03938	4.0
55.05508	11.0
57.07059	1.7
63.02383	1.4
65.03946	1.8
67.05495	3.0
69.07050	4.0
69.58821	0.8
69.99226	0.8
70.61108	1.1
70.61424	1.1
71.55370	1.0
75.28537	0.8
77.03924	3.6
79.05485	32.5
81.07043	3.4
89.03907	24.1
91.05472	59.5
93.07034	57.7
94.07345	1.3
94.07863	1.1
95.04964	20.8
95.08596	2.1
103.05458	1.6
104.06217	1.1
105.04520	7.8
105.07025	27.4
107.04949	16.2
107.08585	100.0
108.08193	1.1
108.08932	3.9
109.01088	4.5
109.06491	9.6
115.05457	1.8
117.03389	6.8
117.07007	2.7
119.03577	1.8
119.06078	7.2
119.08559	10.7
119.09332	1.3
120.09375	5.0
133.10106	1.4
135.04405	15.9
135.05515	3.2
135.06526	1.0
135.08037	6.4
135.11682	27.3
136.02151	70.0
136.06180	11.0
136.07527	2.0
136.12077	1.2
137.04462	0.8
137.09557	1.0
147.09134	1.0
153.56059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33019	1.8
53.03946	8.2
55.01870	2.2
55.05503	10.7
63.02384	1.8
65.03929	2.7
65.35522	1.6
67.05468	3.8
69.07072	5.2
69.67781	5.6
77.03926	4.0
79.05486	49.8
81.07053	4.8
89.03909	40.4
89.04459	2.5
91.05476	53.6
92.05804	2.7
93.07037	78.8
95.04972	24.0
104.22300	1.5
105.04500	11.2
105.07021	20.1
107.04945	24.3
107.06084	2.7
107.08585	100.0
108.08923	3.2
109.01156	3.2
109.06517	9.4
110.38380	1.7
115.05496	3.4
117.03373	15.0
117.06999	3.3
119.06070	4.5
119.08571	16.0
120.09347	3.1
135.04417	25.6
135.05394	3.2
135.08069	5.6
135.11682	31.5
136.02148	55.6
136.06187	9.1
136.07518	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.86356	0.9
53.03934	4.5
55.01870	1.6
55.05509	14.1
57.07073	2.1
65.03939	2.7
67.05502	2.7
69.07072	6.3
69.12482	4.7
69.12897	2.0
77.03925	6.0
79.05489	31.2
80.05827	1.3
81.03434	1.1
81.07051	3.9
87.78418	0.9
89.03913	18.1
90.04250	1.2
91.05479	48.3
93.07043	72.0
94.07359	2.6
94.07871	1.3
95.04970	21.1
95.08639	1.2
98.23595	1.6
103.05445	1.0
105.04520	8.6
105.07027	23.8
105.64409	1.0
107.04954	44.1
107.06084	1.9
107.08591	100.0
108.05288	1.3
108.08191	1.0
108.08940	3.1
109.01104	3.8
109.06511	8.8
110.03659	0.9
115.05440	1.0
117.03366	5.3
117.06976	2.1
119.06032	5.6
119.08564	9.6
120.09386	5.8
133.10121	1.5
135.04425	16.2
135.08127	1.1
135.11688	49.1
136.02158	43.1
136.06181	7.7
136.07578	1.9
136.12088	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.50006	1.3
53.03942	4.4
55.01858	1.5
55.05511	11.1
57.07065	2.4
60.15947	1.3
62.42555	1.3
62.64188	1.4
67.05508	4.4
69.07077	3.3
70.58629	1.6
77.03926	6.1
79.05489	39.5
81.07067	3.6
89.03904	18.5
89.43101	1.2
91.05474	56.6
92.05783	2.1
93.07035	76.7
94.07329	1.9
95.04962	18.5
95.08553	1.9
105.04524	7.4
105.07014	24.0
105.07654	2.4
107.04947	11.2
107.08584	100.0
108.08913	3.3
109.01099	1.9
109.06509	8.8
117.03381	6.3
117.07035	3.0
119.06065	5.3
119.08582	14.7
120.09353	3.9
135.04427	15.9
135.05370	2.4
135.08083	2.1
135.11678	30.6
135.12645	2.1
135.53004	1.5
136.02144	29.5
136.06221	6.0
136.83125	1.5
147.09232	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
51.18277	0.2
53.71766	0.2
65.03925	0.5
66.04707	0.3
67.02979	0.5
67.05492	0.4
69.75547	0.5
69.75893	0.8
79.05480	0.6
80.05011	0.6
81.03400	0.6
81.07065	0.3
90.04253	0.3
91.05480	1.8
92.02502	0.7
93.05767	0.6
94.04086	5.0
94.06564	0.8
94.07368	0.5
94.90050	0.3
94.96784	0.3
95.04963	1.1
98.22745	0.5
105.04486	0.4
108.04475	0.4
108.05234	0.4
108.08109	1.3
108.08776	0.3
109.01100	4.5
109.05111	0.8
112.05059	0.4
119.03545	10.0
119.04863	0.6
122.03637	2.7
136.02153	53.0
136.06171	100.0
136.11197	0.9
137.02483	2.2
137.03441	0.5
137.04578	6.7
137.05960	5.3
153.93745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
55.78488	0.2
67.02987	0.4
70.67930	0.3
82.04059	0.2
82.37310	0.1
91.05473	0.8
92.02467	0.6
94.04047	3.6
96.77061	0.2
109.05113	0.7
112.05100	0.2
113.00850	0.3
119.03542	10.9
120.03928	0.1
120.60114	0.1
131.01883	0.6
136.06172	100.0
137.04578	6.1
137.06628	1.6
140.32718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02383	0.7
53.03929	0.8
55.01867	0.5
65.03925	1.6
66.04713	6.2
67.05473	0.6
69.03408	0.6
71.41726	0.5
77.03922	1.0
79.05494	4.9
81.07037	2.6
82.06565	0.6
91.05463	3.9
94.04179	49.9
95.04429	0.6
95.04995	2.7
104.63892	0.5
105.04471	0.6
107.04951	1.6
109.06503	1.2
115.08018	0.5
122.03636	68.9
123.03980	2.1
135.04385	0.7
137.02538	2.4
137.05965	100.0
138.01689	0.8
138.05403	0.5
138.06329	2.4
147.28537	0.5
152.90825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.02370	0.5
53.03941	0.9
55.01864	0.7
58.88580	0.3
59.22152	0.3
65.03934	2.3
66.04718	5.5
67.05495	1.4
69.03419	0.5
69.26989	0.2
70.07925	0.9
72.14978	0.3
73.49212	0.3
74.10114	0.3
77.03924	0.9
79.05487	4.7
81.03407	1.1
81.07044	3.0
85.48071	0.3
91.05473	8.4
91.16442	0.3
92.05822	0.3
94.04179	39.5
95.04558	0.4
95.04995	2.4
95.08589	0.5
101.81148	0.3
105.03364	0.6
105.04515	0.8
107.04926	1.8
109.02885	1.0
109.06511	1.5
109.10151	0.6
112.29033	0.3
119.04939	1.5
122.03636	65.2
122.07269	1.1
123.03951	1.4
132.46736	0.3
133.36456	0.3
135.04375	0.5
137.02475	4.1
137.05965	100.0
138.01706	0.8
138.05389	0.6
138.06311	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	137.0596
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.02367	0.7
53.03923	0.8
53.10767	0.6
55.01854	0.9
55.59786	0.7
62.21571	0.5
62.56651	0.5
65.03930	2.5
66.04720	6.9
67.05489	0.7
69.83821	2.2
77.03938	1.5
79.05487	5.7
81.03409	0.7
81.07039	2.4
81.61645	0.6
91.05471	10.7
94.04178	48.4
95.04449	1.0
95.04967	2.2
105.03381	1.2
107.04927	1.8
109.02863	0.8
109.06493	0.9
119.04943	1.1
122.03635	68.3
123.03977	1.6
135.04456	0.6
137.02460	3.3
137.05963	100.0
138.01738	0.7
138.06314	2.6
138.09123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.02378	0.6
53.03938	1.4
55.01867	0.7
55.05493	1.0
65.03945	3.4
66.04723	6.4
67.05160	0.8
67.05500	9.9
69.03412	0.7
69.07062	0.5
69.11820	3.2
76.84598	0.5
77.03918	1.7
79.05484	6.3
81.03401	1.7
81.07050	9.4
91.05473	11.6
92.59515	0.4
93.07050	2.2
94.04181	47.2
95.04490	0.6
95.04979	3.5
95.06068	0.5
95.08598	8.5
103.44939	0.4
105.03380	0.7
105.04516	1.6
107.04947	9.1
109.02871	1.4
109.06503	1.4
109.10153	10.6
117.06962	0.5
119.04926	0.8
119.08575	4.0
120.04442	0.9
121.06496	2.9
122.03638	67.6
122.07278	28.3
123.03988	1.7
123.07614	0.8
135.04346	0.5
135.08031	1.1
137.02483	5.8
137.05969	100.0
137.09599	25.5
137.13234	0.5
138.01793	1.1
138.05420	1.0
138.06325	2.3
138.09933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.02378	0.5
53.03937	1.2
55.01873	0.7
63.12573	0.3
64.01542	0.3
65.03933	1.9
66.04717	6.8
67.05499	1.1
69.03421	0.3
72.47118	0.3
77.03926	1.3
79.05487	4.8
81.03417	1.5
81.07052	3.4
90.64378	0.3
91.05478	4.8
94.04179	47.1
95.04471	0.9
95.04996	2.0
95.08591	1.2
105.03377	0.9
105.04499	0.7
107.04950	2.0
109.02876	0.7
109.06497	1.0
109.10171	0.3
122.03635	67.2
123.03971	1.9
127.05848	0.3
134.09592	0.2
135.04404	0.8
137.02521	2.9
137.05962	100.0
138.05408	0.4
138.06319	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02370	0.5
53.00293	0.2
53.03940	0.7
53.89064	0.2
55.01862	0.5
56.17245	0.2
65.03941	2.0
66.04718	6.2
67.05490	0.5
69.03410	0.3
70.66640	0.2
77.03934	1.1
79.05486	4.1
81.07049	1.9
91.05475	3.6
94.04180	45.2
95.04488	0.8
95.05008	1.8
97.38209	0.2
105.03386	0.9
105.04517	0.6
107.04951	1.7
109.06520	0.9
117.21595	0.2
122.03638	66.8
123.03985	1.7
135.04427	0.6
137.05966	100.0
138.06319	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.02385	0.5
53.03939	0.9
55.01872	1.3
59.60363	0.5
65.03946	2.1
66.04721	7.0
66.25613	0.5
66.45156	0.5
67.05502	3.8
69.03421	0.5
69.53377	1.8
77.03932	0.8
79.05492	5.3
81.03406	3.1
81.07040	4.1
82.47533	0.4
89.53150	0.5
91.05470	5.8
93.07029	1.1
94.04180	45.6
95.04460	0.7
95.04980	2.2
95.08597	4.8
98.23413	1.0
105.03419	0.7
105.04535	0.8
107.04932	2.5
108.06842	0.6
109.02893	0.5
109.06499	1.4
109.07653	0.8
109.10150	1.9
118.14279	0.4
119.04874	0.6
119.08566	0.7
121.08879	8.0
122.03638	70.6
122.07248	1.0
123.03969	1.5
135.04411	1.0
137.02397	8.1
137.03500	2.6
137.05963	100.0
137.09537	2.9
138.01730	1.5
138.05516	0.8
138.06300	3.3
138.09140	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	137.0597
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
53.03938	0.8
63.48834	0.6
65.03917	1.3
65.69119	0.6
66.04720	5.9
67.05509	1.3
69.24575	4.1
77.03925	1.3
79.05486	5.0
80.46381	0.8
80.83822	0.7
81.07047	3.1
86.97659	0.8
91.05478	6.2
92.05858	0.6
94.04182	42.5
95.04973	2.1
101.94031	0.7
103.43934	0.7
105.03382	0.6
107.04931	1.8
109.02860	1.4
109.06514	0.9
119.04958	1.0
122.03642	62.5
123.04015	2.2
131.58319	0.6
135.04442	0.8
136.90764	0.7
137.02467	3.2
137.05968	100.0
138.06352	3.3
142.43686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02439	0.6
53.03987	0.9
54.50554	0.5
55.01910	0.7
57.32326	0.5
58.13717	0.4
65.03996	1.5
66.04719	5.8
67.05533	0.5
69.28854	1.7
69.29253	0.8
70.63707	0.5
77.03985	1.6
79.05482	4.6
79.62190	0.4
81.03406	0.6
81.07111	2.0
85.83186	0.6
88.72273	0.4
89.32745	0.4
90.14312	0.5
91.05474	7.3
91.05966	0.6
93.07034	2.3
94.04182	47.1
95.04485	1.0
95.05019	2.3
103.05456	2.1
105.02762	0.4
105.03413	1.1
105.04547	1.1
107.04989	1.9
109.06547	1.2
119.04976	0.6
120.03949	0.7
120.45461	0.4
121.06495	13.5
121.07311	1.0
122.03640	69.1
123.03983	1.3
123.16451	0.4
133.03468	0.5
135.04390	0.8
137.02489	1.2
137.05942	100.0
138.06345	2.9
154.94090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.02362	0.6
53.03941	0.7
55.01867	0.6
59.61181	0.3
65.03934	1.4
66.04719	5.9
67.05482	1.1
69.03442	0.4
71.26359	0.3
77.03925	1.0
79.05484	4.5
81.03403	0.9
81.06633	0.3
81.07034	2.0
91.05473	4.6
94.04181	42.6
95.04437	0.6
95.04960	2.0
95.08602	0.9
95.81969	0.4
105.03392	0.6
105.04475	0.4
107.04945	1.7
107.62441	0.4
108.06727	0.3
109.02863	0.6
109.06495	1.2
109.07636	0.5
110.06021	0.7
122.03638	67.8
123.03970	1.4
135.04378	0.8
137.02487	4.9
137.05966	100.0
138.01711	0.6
138.05386	0.6
138.06366	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
55.01866	0.8
56.96579	1.0
65.03931	8.2
66.04716	0.9
66.90597	0.7
67.05513	3.1
71.43025	1.3
73.85802	0.7
79.05493	2.6
81.03421	1.7
81.07043	6.2
82.06560	1.2
84.57143	0.7
89.38699	0.8
91.05470	100.0
92.05782	4.1
94.04163	6.4
95.04954	1.4
95.06075	2.0
95.08600	2.3
96.04478	2.4
107.04943	0.9
108.06886	1.1
109.06492	5.0
109.07633	2.6
110.06007	3.4
111.48721	0.7
117.85197	0.7
119.04927	28.8
119.05924	1.1
119.06078	1.5
119.08466	0.7
120.04468	0.9
120.05226	1.2
122.03622	7.8
122.07258	1.0
123.06789	0.9
127.38728	0.7
137.02493	15.6
137.03503	1.8
137.05920	35.7
137.06998	3.6
137.09557	1.5
137.10571	0.8
138.01672	3.0
138.05440	3.2
138.06335	0.9
138.09102	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.5
53.03941	1.0
55.01873	2.6
55.05513	1.2
56.22899	0.4
56.59612	0.3
57.07064	1.6
60.52447	0.4
65.03936	2.3
66.04720	6.0
67.05151	0.7
67.05499	8.3
69.03437	0.4
69.07063	1.6
77.03940	0.9
79.05489	8.0
81.03421	0.8
81.07051	20.1
83.22128	0.4
83.22631	0.3
91.05475	6.3
93.07042	1.5
94.04182	41.8
95.04488	0.5
95.04978	3.1
95.06157	0.3
95.08600	19.4
96.04490	0.3
105.03400	0.8
105.04537	0.4
107.04965	2.4
107.05566	0.4
107.08659	0.4
109.06532	2.2
109.07649	0.4
109.10168	2.2
119.08575	0.5
122.03640	61.3
122.07267	1.9
123.03998	1.5
132.38663	0.4
135.04439	0.5
137.02554	3.7
137.05966	100.0
137.09555	3.7
137.13219	1.8
138.01753	0.7
138.05418	1.8
138.06352	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
53.03933	1.2
55.01860	1.5
55.05505	1.2
65.03938	13.4
66.04717	3.4
67.05157	0.6
67.05502	8.6
68.51786	0.4
68.99738	0.5
69.03411	1.9
69.07066	0.5
69.14416	1.3
69.14840	1.4
77.03917	0.5
79.05046	0.7
79.05490	10.8
80.05054	0.5
81.03403	3.5
81.07053	15.5
91.05475	28.9
92.05816	1.0
93.07040	1.5
94.04182	22.9
95.04987	2.6
95.06111	0.5
95.08602	3.3
105.04498	1.0
107.01311	0.6
107.04958	4.2
108.06850	0.5
109.02879	0.8
109.06517	11.2
109.07621	0.6
109.10151	4.9
110.06848	0.4
117.06950	0.5
119.04928	5.1
119.06045	0.9
119.08562	1.5
120.04457	0.6
121.06479	0.6
122.03641	27.0
122.07287	7.4
123.03982	0.7
127.03899	0.6
135.04427	0.5
137.02397	7.8
137.03545	2.1
137.05968	100.0
137.09590	9.1
138.01735	1.2
138.05440	1.5
138.06355	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	137.0597
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
53.03940	2.0
53.14633	0.8
55.01860	2.2
58.19645	0.7
65.03938	19.6
66.04706	1.0
66.95515	0.7
67.05499	2.8
69.03432	1.7
69.35300	1.6
69.35706	3.1
79.05486	11.9
81.03418	2.4
81.07056	14.3
85.81412	0.8
85.89765	0.8
91.05475	52.6
92.05798	1.4
94.04168	7.3
94.06599	0.8
95.04951	2.6
95.08587	1.5
107.04926	2.6
109.06512	13.8
109.10100	1.2
110.06052	1.2
119.04940	11.8
119.05785	1.0
119.06113	0.7
122.03672	6.2
122.07285	1.2
137.02489	9.0
137.05968	100.0
137.09566	2.1
138.01761	1.6
138.06328	3.0
138.09065	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.05510	6.0
65.03913	2.4
66.04722	7.1
67.05499	30.8
69.07043	2.3
70.27869	1.4
70.28204	2.5
74.75740	1.1
76.29832	1.1
77.03904	2.0
77.74763	1.2
79.05488	9.6
81.03379	3.3
81.07053	15.2
86.45187	1.0
88.27229	1.1
91.04956	1.1
91.05472	13.5
93.07043	6.2
94.04180	50.6
95.04395	2.4
95.04937	4.2
95.08599	77.3
96.08901	2.9
105.04511	1.2
107.04889	4.8
107.05600	0.9
109.02831	1.5
109.06451	3.1
109.07647	2.0
109.10150	16.1
110.05990	1.9
111.29183	1.1
119.04887	3.3
119.08564	1.8
120.03843	1.8
121.06510	1.6
121.08825	4.1
122.03637	69.9
122.07289	9.7
123.03974	2.0
127.03835	1.7
137.02345	12.7
137.03471	3.3
137.05907	100.0
137.09593	25.5
137.10626	2.4
137.13187	1.6
138.01665	1.8
138.05402	1.6
138.06287	3.0
138.09065	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02365	1.9
53.03935	4.0
55.01863	5.3
55.05507	9.8
65.03947	6.2
66.04723	6.6
67.01851	1.4
67.05501	83.4
69.03420	2.8
69.07053	5.6
73.47531	1.1
77.03913	2.5
79.05487	17.3
79.51822	1.2
81.03414	7.1
81.07053	48.1
82.45477	1.3
83.04971	1.8
89.69451	1.6
90.18536	1.3
91.05476	35.3
92.05801	3.6
93.06159	1.5
93.07050	8.0
94.03574	2.0
94.04179	40.1
94.06573	1.3
94.07321	1.7
94.07853	1.9
95.04980	15.1
95.06049	1.7
95.08601	30.4
105.03411	1.5
105.04485	2.5
107.04947	24.9
107.08577	5.1
108.05715	1.7
108.06870	1.7
108.08917	1.8
109.02854	2.5
109.06513	28.2
109.10149	77.2
110.06039	2.4
110.10496	1.7
117.06995	2.6
119.04942	2.7
119.06075	2.1
119.08572	16.9
121.06510	9.5
122.03638	60.5
122.07278	94.5
123.07629	3.0
135.08115	3.0
137.02393	17.8
137.03476	7.7
137.05971	95.5
137.07059	4.8
137.09602	100.0
138.01701	2.8
138.05458	2.5
138.06372	2.3
138.09081	1.7
138.10005	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	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03942	0.8
54.03157	0.5
55.01865	0.8
55.05514	2.1
57.07069	0.6
59.28509	0.5
65.03951	0.8
66.04710	1.0
66.64922	0.7
67.05499	27.8
69.03425	1.1
69.07072	1.0
69.41732	2.8
69.53041	0.5
77.03931	1.6
79.05481	3.6
81.03410	0.9
81.07050	9.4
91.05472	13.2
93.07036	3.2
94.04192	5.0
94.07824	1.4
95.04955	3.9
95.08610	7.1
103.05460	2.5
104.06241	1.6
105.04501	1.9
107.04945	25.1
107.08599	1.7
109.06507	1.1
109.10146	30.9
110.10543	0.8
115.05447	0.6
116.80288	0.6
117.07021	2.2
119.08569	15.5
121.06495	10.3
121.07324	0.9
122.03653	7.0
122.07277	100.0
123.07616	2.4
135.08043	5.5
136.06110	0.6
137.02461	2.8
137.03452	0.7
137.05980	12.6
137.09601	88.4
138.09940	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03937	1.8
55.05506	6.0
57.07072	8.7
65.03951	1.6
66.04707	0.5
67.05501	26.5
69.06703	0.6
69.07064	7.6
69.37585	1.5
71.08632	0.6
74.29987	0.3
79.05486	12.9
80.05064	0.3
80.05813	0.5
80.06262	0.4
81.03429	0.4
81.07051	100.0
82.07379	2.1
91.05466	2.0
93.07040	5.9
94.04187	1.8
95.04952	0.5
95.08599	91.2
96.08932	1.9
98.23430	0.6
107.08624	0.5
108.09371	0.8
109.10146	5.5
111.62659	0.3
120.46439	0.3
122.03639	1.9
134.66606	0.3
135.11681	0.4
137.02458	1.1
137.05984	3.7
137.07013	0.7
137.09647	0.4
137.10725	0.3
137.13251	9.0
137.14308	0.6
138.01704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03940	1.6
53.45814	0.8
55.05508	6.2
57.06817	1.2
57.07072	15.5
65.03941	1.6
66.04701	1.4
67.05499	25.6
69.07057	7.5
79.05482	11.2
80.02975	0.8
81.03389	0.9
81.07049	81.5
82.07375	1.6
91.05460	2.6
93.07032	6.8
94.04172	3.1
95.04970	1.5
95.06089	1.3
95.08595	100.0
96.08929	2.3
107.08610	1.5
108.09367	1.1
109.10141	9.6
110.06046	1.0
120.04477	1.1
122.03609	4.6
137.02472	6.3
137.05972	8.5
137.07109	2.2
137.09583	1.4
137.13242	9.2
138.01837	1.6
138.05475	1.8
141.22684	0.7
143.05255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03938	3.2
54.12574	0.9
54.88490	0.9
55.01859	2.7
55.05504	5.5
57.06860	0.9
57.07075	9.1
60.01463	0.8
65.03929	4.1
66.04723	4.3
67.05501	37.1
69.03413	1.1
69.07066	8.0
72.59224	0.8
77.03934	1.5
79.05484	18.7
81.03408	4.5
81.07051	100.0
82.07391	3.2
91.05481	18.6
92.05833	1.1
93.07028	7.7
94.04183	35.7
94.06540	1.0
95.04967	8.4
95.08600	90.5
96.04501	1.0
96.08929	2.1
99.24173	0.8
101.34596	0.9
105.04494	1.3
107.01309	1.0
107.04952	7.2
107.08599	1.2
109.02795	0.9
109.06523	7.3
109.07639	2.0
109.10146	15.5
119.04957	2.0
119.06088	1.3
119.08567	3.6
120.04455	2.7
121.06533	2.7
122.03642	51.1
122.07279	16.9
123.03992	1.4
127.03931	1.0
137.02396	11.2
137.03493	3.2
137.05969	78.5
137.06989	3.0
137.09596	22.9
137.10631	1.3
137.13234	8.6
138.01711	4.2
138.05470	3.4
138.06360	2.9
138.09108	1.8
138.10062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
54.12574	0.9
54.88490	0.9
55.01859	2.7
55.05504	5.5
57.06860	0.9
57.07075	9.1
60.01463	0.8
65.03929	4.1
66.04723	4.3
67.05501	37.1
69.03413	1.1
69.07066	8.0
72.59224	0.8
77.03934	1.5
79.05484	18.7
81.03408	4.5
81.07051	100.0
82.07391	3.2
91.05481	18.6
92.05833	1.1
93.07028	7.7
94.04183	35.7
94.06540	1.0
95.04967	8.4
95.08600	90.5
96.04501	1.0
96.08929	2.1
99.24173	0.8
101.34596	0.9
105.04494	1.3
107.01309	1.0
107.04952	7.2
107.08599	1.2
109.02795	0.9
109.06523	7.3
109.07639	2.0
109.10146	15.5
119.04957	2.0
119.06088	1.3
119.08567	3.6
120.04455	2.7
121.06533	2.7
122.03642	51.1
122.07279	16.9
123.03992	1.4
127.03931	1.0
137.02396	11.2
137.03493	3.2
137.05969	78.5
137.06989	3.0
137.09596	22.9
137.10631	1.3
137.13234	8.6
138.01711	4.2
138.05470	3.4
138.06360	2.9
138.09108	1.8
138.10062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.89065	0.3
53.03925	0.4
56.96563	6.6
65.03938	60.3
66.04272	0.9
70.20386	0.7
70.20699	0.4
83.04981	0.7
90.09791	0.3
93.03400	30.6
94.03750	0.9
95.04965	1.3
97.02892	0.6
98.97577	16.7
98.98462	1.1
111.04434	100.0
112.04748	3.0
116.98614	14.6
121.02879	0.4
121.03989	1.0
121.22872	0.3
125.02328	0.6
134.06024	0.8
134.99643	7.8
135.00597	0.6
139.03896	7.3
139.04955	0.8
139.07452	0.4
140.00267	0.4
153.00679	1.0
156.48894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.52809	0.4
55.35146	0.5
56.06631	0.5
56.96540	0.8
65.03938	65.1
66.04268	1.4
73.67686	0.5
82.40086	0.5
82.59299	0.5
83.05004	0.7
93.03399	40.8
93.10342	0.6
94.03722	0.9
95.04964	1.1
98.97584	2.6
98.98470	0.7
111.04435	100.0
112.04755	2.0
116.98624	1.7
121.03989	1.1
125.02428	0.6
134.05974	0.9
134.99623	0.9
139.03903	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	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
52.16143	0.5
57.02649	0.6
65.03938	61.1
66.04263	1.7
67.85950	0.4
75.45937	0.5
83.04970	0.8
91.89129	0.5
93.03403	33.3
94.03748	0.7
94.47977	0.5
95.04976	0.8
97.05458	0.6
98.98457	1.2
111.04436	100.0
112.04776	2.6
116.98597	1.1
121.02869	0.8
121.03988	0.7
125.02372	1.2
134.05954	0.7
134.99701	0.5
139.03905	7.4
147.67043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98611	0.6
56.96562	30.1
57.02485	0.4
69.93031	0.9
69.93408	0.7
71.95264	1.6
86.07801	0.4
90.45714	0.4
98.97574	100.0
106.56919	0.3
116.98614	56.5
117.98997	0.5
126.69724	0.5
134.99651	19.1
140.00217	0.7
153.00708	2.0
156.17213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17158	0.4
56.96560	27.3
65.11393	0.4
66.09148	0.5
69.99855	0.9
71.95245	2.2
81.34650	0.5
91.32685	0.4
98.97575	100.0
103.07241	0.5
115.09145	0.5
116.98612	61.3
134.99649	21.2
140.00201	0.6
153.00697	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07885	3.7
70.88500	8.5
91.90979	3.9
101.00871	40.0
115.12617	5.3
118.03515	16.2
119.01915	100.0
136.04500	6.2
137.02982	20.5
142.03494	19.5
143.03383	7.5
160.04497	9.7
160.06831	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
71.18458	2.7
73.56613	2.5
82.99864	3.2
89.89294	2.3
101.00877	34.4
118.03511	15.8
119.01915	100.0
136.04523	4.0
137.02962	22.1
142.03471	16.5
160.04553	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66728	3.0
69.98967	7.3
69.99307	6.2
82.99841	3.8
87.45224	2.8
98.23416	3.5
100.02509	5.7
100.97212	3.2
101.00883	30.0
107.91718	2.9
110.50800	3.3
118.03503	10.2
119.01092	6.8
119.01915	100.0
120.01930	3.1
136.04575	7.6
137.02940	26.6
142.03505	20.0
160.04549	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75391	3.7
56.56536	3.7
71.26391	7.3
75.22614	4.0
82.99807	5.6
100.02509	7.0
101.00880	34.6
113.91070	4.6
116.71629	4.0
118.03515	11.4
119.01910	100.0
136.04623	4.6
137.02966	27.4
142.03494	18.3
160.04526	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03070	2.7
59.25277	3.2
71.15437	3.5
100.02484	3.4
101.00881	28.1
115.07211	2.9
118.03490	8.4
119.01912	100.0
120.02037	2.8
136.04561	7.8
137.02950	21.0
141.12076	2.7
142.03459	15.2
145.76804	2.8
154.87820	3.0
159.67599	2.9
160.04567	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26614	2.0
54.41591	1.8
55.11962	1.9
56.15919	1.9
56.96555	3.1
57.04553	2.8
57.07087	2.7
60.08153	4.2
60.95846	27.8
67.05517	3.6
69.03419	2.2
69.14014	7.3
69.14442	8.2
70.06578	5.1
71.04964	2.0
72.08148	28.7
74.07195	6.6
84.04485	3.1
84.08132	29.0
85.02905	5.3
85.06520	7.7
98.06045	8.8
98.23498	4.9
98.97579	5.1
101.00868	5.8
102.00946	28.2
102.02222	2.7
102.91273	2.2
102.96857	59.8
103.00628	22.8
116.98605	3.2
119.01905	25.2
120.01992	100.0
120.03269	7.5
120.97892	42.7
121.00829	3.6
121.01646	77.5
121.02492	5.2
122.29710	2.3
137.02927	8.4
138.03053	30.2
138.04201	4.7
138.98947	20.3
139.01770	3.6
139.02699	23.1
143.03586	2.5
144.03200	15.4
144.10143	3.8
144.13831	5.0
151.37012	2.1
162.04276	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	41.1
57.03428	6.3
57.07067	8.0
60.08157	17.4
60.95850	47.3
61.02918	2.7
62.23927	1.8
67.05495	12.4
69.03416	5.1
69.54932	8.4
70.06595	10.1
70.98107	5.1
71.04996	5.6
72.08153	35.3
73.02893	3.4
74.07212	3.5
75.94534	2.5
83.00784	3.1
84.04501	3.7
84.08140	37.5
84.96030	4.5
85.02895	9.0
85.06528	28.5
97.02894	4.5
97.99186	2.1
98.01279	2.3
98.06039	12.5
98.09663	4.4
98.22717	2.6
98.97589	23.5
99.04446	2.3
101.00868	6.7
102.00922	14.2
102.96861	100.0
103.00614	17.5
110.97520	2.0
115.00710	2.5
116.98637	13.2
119.01923	22.9
120.01995	84.8
120.03302	7.0
120.97899	75.4
121.01650	74.5
126.59759	2.1
128.98679	2.4
134.99681	4.8
137.02959	5.7
138.03058	25.5
138.04274	6.9
138.98932	34.0
139.01921	2.4
139.02716	20.3
144.03209	11.5
144.06555	2.6
144.08160	2.2
144.10179	7.1
144.11316	2.0
144.13834	11.6
147.28514	2.0
157.00035	3.6
162.04308	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.9
55.05513	2.1
56.05035	3.2
58.02946	1.5
60.95847	12.5
60.98724	5.3
62.92992	2.1
68.05028	2.9
69.03430	2.9
70.06227	2.7
70.06586	28.2
70.72514	2.1
71.04978	1.5
72.04511	1.9
73.02911	3.8
75.94569	1.4
76.95598	1.3
78.28545	1.5
78.99374	1.5
78.99754	7.7
80.04999	3.5
84.04507	4.9
84.08130	4.9
85.02878	2.3
97.00800	19.3
97.02869	2.9
98.06048	44.1
99.04446	2.4
99.06384	1.6
101.00862	2.8
102.00941	10.9
102.02193	1.6
102.05525	1.7
102.96857	14.9
103.00613	13.4
106.81499	1.3
119.01923	22.2
120.01988	100.0
120.03251	5.9
120.97906	19.1
121.00775	18.3
121.01626	78.2
121.93724	1.4
121.96612	3.8
126.05482	6.7
127.03795	1.4
137.02928	8.9
137.57997	1.4
138.03061	50.9
138.04285	9.1
138.98938	19.3
138.99921	2.2
139.01794	52.2
139.02722	31.3
144.03180	13.0
144.05582	2.9
144.06554	11.7
144.08051	6.2
144.13817	1.5
157.00000	3.8
162.04311	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	145.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.2
58.65741	0.2
62.01588	0.5
62.92985	2.6
63.02049	0.4
63.02373	5.5
67.16910	0.3
69.03439	0.4
69.06581	0.2
71.08632	0.4
73.60165	0.3
75.02386	0.3
77.03899	0.2
79.05478	0.6
85.02906	0.7
89.03914	100.0
90.04244	2.6
91.05483	2.7
97.82458	0.2
102.04690	0.9
105.07023	7.8
115.05456	3.1
116.06309	0.3
117.03373	42.0
117.07018	4.9
118.03709	1.2
118.06539	0.3
119.05029	0.3
121.96631	4.6
127.05509	0.3
128.06215	0.4
129.04500	0.6
129.06996	0.8
130.04172	0.6
130.07787	3.9
135.04385	0.8
143.08566	1.1
145.02861	1.3
145.06491	3.3
145.10118	11.1
146.10500	0.3
155.05998	1.8
158.06033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92982	6.8
67.05492	3.1
71.42557	1.0
72.08166	1.4
79.05486	3.2
82.07884	0.9
85.02870	1.4
86.06045	1.0
89.03913	1.2
91.05473	33.7
103.05452	3.6
105.07023	73.8
106.07367	2.0
115.05430	16.4
116.06237	5.1
117.07011	54.1
118.07379	1.9
121.96624	13.2
128.06207	7.2
129.06978	11.1
130.07776	45.2
143.08554	10.8
144.98254	1.3
145.05429	1.7
145.06511	10.9
145.10110	100.0
146.05984	1.5
146.08113	1.7
146.10461	4.2
155.06020	2.7
161.49939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
56.05041	1.1
57.03419	1.2
60.69547	0.9
62.92988	10.6
67.05495	2.3
71.43180	0.9
79.05485	2.6
86.06045	1.2
91.05469	30.1
92.73227	0.8
100.07574	1.3
103.05468	2.1
104.08563	0.8
105.07018	71.6
106.07340	1.8
115.05440	18.8
116.06229	6.2
117.07006	53.4
118.07336	1.9
121.96638	19.0
128.06215	7.6
129.07002	11.4
130.07776	47.0
143.08551	10.6
145.06471	12.4
145.07614	2.8
145.10106	100.0
146.05975	2.3
146.08112	1.5
146.10423	3.7
155.05994	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71061	0.8
63.02367	2.0
67.05498	6.5
69.03429	1.7
70.71660	1.6
72.08139	2.4
79.05489	5.8
85.02895	2.7
89.03908	41.9
90.04173	1.3
91.05470	27.3
97.02891	1.5
103.05450	2.4
105.07020	56.7
106.07357	1.3
115.05438	12.9
116.06233	6.0
117.03375	22.9
117.07007	52.3
118.06513	3.2
118.07319	1.4
128.06216	7.8
129.06993	10.2
130.07776	39.0
143.08537	9.6
145.02826	1.3
145.06525	4.6
145.10110	100.0
146.05943	1.2
146.10461	2.7
155.06046	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
56.74287	0.5
62.92950	0.6
63.02382	0.7
65.03926	0.5
67.05494	2.3
69.20550	3.3
70.52557	0.5
71.70612	0.5
76.42684	0.5
76.64967	0.5
79.05499	2.8
80.77844	0.5
86.90911	0.6
89.03912	10.4
90.04240	0.8
91.05473	24.6
95.04964	0.9
98.22755	0.9
98.66310	0.4
103.05457	3.3
105.07019	64.8
106.07347	1.7
115.05447	14.5
116.06259	5.2
117.03361	5.3
117.07007	37.3
118.06564	0.6
118.07336	1.2
121.96600	1.1
124.83647	0.5
128.06204	7.6
129.06996	11.3
130.07776	45.9
131.08121	1.6
133.86087	0.5
143.08545	10.2
145.10109	100.0
146.10445	3.2
155.06007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54779	0.4
53.03955	0.7
56.22402	0.4
59.47118	0.4
62.85669	0.4
67.05492	0.8
69.03419	0.7
77.03925	0.5
79.05482	1.5
85.02914	0.6
86.63571	0.4
88.97401	0.5
89.03902	0.7
91.05478	10.3
97.02842	0.6
100.91574	0.4
103.05458	2.0
105.07022	63.9
106.07369	2.1
108.49026	0.4
115.05444	4.9
116.06239	1.5
117.07014	21.6
128.06209	4.6
129.07001	8.2
130.07780	37.3
130.37462	0.4
131.08128	1.0
143.08548	8.8
145.10114	100.0
146.10452	3.5
155.42474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32201	0.5
53.03942	0.8
62.92971	1.0
65.03925	0.8
67.05500	2.3
71.43288	0.5
71.47940	0.5
79.05489	2.3
88.99770	0.5
89.03918	1.4
91.05474	30.6
95.04959	0.8
103.05458	4.6
105.07023	72.2
106.07368	1.6
106.93739	0.4
115.05444	15.2
116.06243	5.2
117.03407	0.6
117.07011	52.8
117.36227	0.6
118.07336	1.3
121.96638	1.8
128.06203	7.0
128.07074	0.6
129.07004	11.4
130.07779	43.9
131.08121	1.4
143.08560	11.3
144.08913	0.6
145.06474	9.2
145.10112	100.0
146.10435	4.2
155.06036	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29481	0.7
53.03949	1.3
54.10999	0.8
62.92987	7.5
65.03930	0.8
67.05503	2.0
69.03409	1.0
72.04510	0.8
79.05486	3.4
86.06039	1.2
86.33781	0.7
91.05473	27.0
103.05466	4.4
105.07022	75.8
106.07365	1.8
115.05446	15.8
115.27834	0.8
116.06271	4.8
116.06932	0.9
117.07009	49.6
118.06586	0.9
121.96627	11.8
128.06210	8.1
129.07013	11.1
130.07779	44.1
131.08119	1.2
139.01834	1.0
143.08528	9.1
145.06465	7.8
145.10112	100.0
146.05981	1.0
146.08170	1.2
146.10455	3.7
150.25847	0.8
155.06058	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08282	0.6
51.55000	0.5
62.92984	1.7
63.87052	0.5
64.73741	0.7
65.03945	0.7
67.05483	1.6
70.63607	0.9
70.63950	0.6
79.05480	2.5
91.05474	27.5
103.05469	3.7
105.07020	67.6
106.07358	1.2
115.05444	14.9
116.06272	4.3
117.07009	46.0
117.73426	0.6
118.07362	1.0
119.20003	0.7
121.96609	4.6
127.05510	0.8
128.06216	7.6
129.06998	10.4
130.07780	40.4
131.08105	1.6
137.14638	0.5
143.08540	10.2
144.08963	0.6
145.06491	7.5
145.10109	100.0
146.10469	2.5
155.05998	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
66.95883	0.4
67.05495	1.2
67.51234	0.4
69.10714	2.6
77.03926	0.4
78.70348	0.4
79.05486	2.2
91.05474	12.8
95.04950	0.4
97.07986	0.4
98.23531	0.7
103.05463	2.9
105.07021	71.9
106.07369	2.0
111.18237	0.4
115.05439	7.2
116.06251	2.1
117.07008	24.7
118.07381	0.5
121.96691	0.5
128.06200	5.2
129.06084	0.7
129.06996	9.9
130.07779	40.5
131.08115	1.6
143.08556	9.8
145.06465	1.5
145.10110	100.0
146.10439	3.0
147.08046	0.6
155.06041	0.8
157.07637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
57.03424	0.6
58.54202	0.5
62.05315	0.6
62.92980	3.1
65.03936	0.5
65.41794	0.5
67.05486	2.4
70.54385	0.9
77.03928	0.5
79.05486	2.7
91.05472	25.9
95.04971	0.7
103.05456	4.8
105.07024	69.4
106.07349	1.6
106.09702	0.5
115.05444	15.2
116.06255	5.0
117.07014	45.7
118.07354	0.9
121.96619	6.2
128.06213	6.4
129.06998	11.6
130.07785	47.6
131.08134	1.0
143.08559	10.7
145.06473	6.4
145.10115	100.0
146.05971	1.0
146.10475	3.4
155.06029	2.1
162.77673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23837	0.4
53.03934	0.7
55.66256	0.4
59.09573	0.4
62.92987	3.2
65.03923	0.5
67.05478	1.2
69.00495	0.4
71.42875	0.3
73.95779	0.4
79.05483	1.8
87.36403	0.4
91.05465	13.7
95.04964	0.9
103.05469	3.6
103.95544	0.5
105.07016	75.9
106.07339	1.7
115.05442	7.7
116.06229	2.4
117.07004	24.5
118.07305	0.5
121.96615	4.6
128.06212	5.3
129.06990	11.3
130.07770	45.9
131.08112	1.2
135.00591	0.4
143.08548	9.8
144.35809	0.4
145.06459	1.7
145.10104	100.0
146.05995	0.9
146.10451	3.6
155.06046	0.7
157.07582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17609	1.0
62.92984	6.7
67.05487	3.9
69.69501	1.0
70.16812	2.6
70.73773	1.1
79.05501	5.2
82.18000	1.1
91.05477	29.4
95.04967	1.4
103.05457	5.4
105.07022	90.0
106.07382	2.2
115.05449	16.7
116.06283	5.8
117.07011	53.8
118.07194	1.1
121.96629	11.1
128.06197	9.9
129.07007	16.3
130.07780	60.5
131.08136	1.6
141.56544	0.9
143.08553	12.2
145.10110	100.0
146.05998	1.1
146.10464	3.0
146.53516	0.9
147.08157	1.3
152.57101	0.9
155.05968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49066	0.6
53.03930	1.0
56.21526	0.6
62.92980	1.2
64.85134	0.6
65.03947	0.9
67.05499	4.0
67.24303	0.6
69.29826	3.9
71.54679	0.6
77.03928	1.0
79.05482	4.9
91.05474	28.5
92.05779	0.7
95.04961	0.9
95.33983	0.7
98.23436	1.6
103.05464	6.2
103.46310	0.7
105.07021	100.0
106.07346	2.7
106.72374	0.8
107.05171	0.6
115.05439	17.2
116.06278	5.3
117.07010	47.3
121.96608	3.3
128.06213	10.1
129.06990	18.8
130.07774	61.0
131.08105	2.0
143.08549	13.1
145.10112	95.5
146.10396	3.6
155.06029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83004	0.8
62.22122	0.8
64.03167	0.8
67.05496	3.6
69.13284	5.6
77.03934	0.9
79.05470	4.2
91.05476	28.5
91.06046	1.5
95.04964	0.8
98.23444	1.8
103.05489	5.4
105.07019	87.9
106.07383	1.8
115.05451	13.8
116.06239	4.7
117.07010	44.5
128.06218	9.1
129.07002	15.8
130.07777	59.5
131.08139	1.9
143.08539	12.9
145.10110	100.0
146.10448	3.2
155.06046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62270	0.9
58.04536	0.8
62.92982	11.1
63.80395	0.8
67.05484	2.4
73.38582	0.8
79.05470	2.7
80.89396	1.0
86.06055	1.2
91.05470	25.2
103.05463	4.7
105.07020	71.2
105.22983	1.0
106.07385	1.4
115.05447	12.9
116.06275	5.4
117.07011	46.3
118.07354	1.2
121.96627	16.0
128.06227	6.8
129.07001	11.6
130.07782	43.3
131.08234	1.1
143.08551	11.4
145.06458	4.2
145.10112	100.0
146.06006	1.5
146.08107	1.5
146.10443	3.3
155.06024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32573	0.6
53.03943	1.1
59.31054	0.6
62.92986	7.5
65.03942	0.6
67.05496	4.5
69.29793	1.9
69.30199	1.7
79.05502	5.0
91.05473	29.7
95.04945	1.2
98.22733	1.6
98.23409	1.2
103.05459	5.4
103.95609	0.8
105.07020	89.0
106.07358	2.6
114.83913	0.7
115.05447	18.1
116.06252	6.7
117.07009	48.6
118.07348	1.1
121.96622	10.2
128.06195	9.7
129.07002	17.9
130.07776	56.1
131.08089	1.4
143.08562	12.5
144.98296	0.7
145.10109	100.0
146.10475	3.5
147.07803	0.6
155.06059	1.4
157.07649	0.8
163.86482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
58.06075	0.6
60.25970	0.6
62.92671	1.0
62.92983	16.3
65.03907	1.0
67.05498	3.1
79.05483	3.9
86.06056	1.6
87.04485	0.7
91.05471	31.8
95.04963	1.2
98.22658	2.2
100.07584	0.8
103.05450	5.3
105.07019	89.1
106.07368	2.1
115.05445	15.1
116.06280	5.0
117.07006	49.0
118.06544	1.3
118.07340	2.1
121.96626	22.2
128.06203	10.3
129.07002	17.5
130.07776	53.6
131.08105	2.0
143.08548	10.7
144.98242	1.5
145.06444	1.8
145.10109	100.0
146.05997	1.3
146.08076	0.9
146.10390	3.8
155.06050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92983	13.8
67.05487	2.8
79.05501	4.7
86.06090	1.3
91.05469	26.5
95.04947	1.0
96.66501	1.1
103.05468	6.4
105.07019	87.6
106.07372	2.4
115.05437	15.1
116.06261	4.3
117.07004	47.4
118.07315	1.6
121.95779	1.4
121.96638	23.5
128.06198	8.9
129.06999	17.3
130.07771	55.6
131.08128	1.3
143.08540	11.8
145.10107	100.0
146.05977	1.5
146.10480	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92986	16.3
67.05486	2.0
69.31708	3.0
79.05491	3.5
83.53976	0.9
91.05479	22.7
97.37216	0.8
103.05431	4.5
103.95628	1.0
105.07024	85.9
106.07375	2.4
115.05452	13.2
116.06207	3.9
117.07012	33.5
121.96634	20.3
128.06236	8.6
129.07010	16.3
130.07777	55.1
131.08096	1.9
143.08562	9.2
144.98190	1.5
145.10114	100.0
146.06017	1.0
146.10437	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
57.03431	1.1
62.92970	2.1
65.03944	0.9
67.05484	2.1
69.03421	0.8
69.32343	0.7
79.05484	2.5
82.06586	0.6
85.02911	1.2
89.03922	6.3
91.05473	22.7
92.61475	0.7
103.05471	3.9
105.07024	70.6
106.07365	0.9
115.05450	10.1
116.06214	4.3
117.03365	2.4
117.07018	36.8
118.07303	1.2
121.96634	4.4
127.05513	0.8
128.06224	6.8
129.06993	10.9
130.07779	42.0
131.08130	1.5
142.00534	0.7
142.45541	0.7
143.08549	10.7
145.06508	5.8
145.10112	100.0
145.28720	0.8
146.05919	0.9
146.10457	3.9
155.06050	1.9
162.60475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92983	10.3
67.05489	2.0
72.08146	1.1
74.52551	0.9
77.16466	0.9
79.05497	2.2
85.02895	1.2
91.05473	25.3
100.07623	1.4
103.05463	3.5
105.07023	69.4
106.07354	2.2
115.05442	13.5
116.06238	3.5
117.07009	39.1
121.96618	15.6
128.06230	6.1
129.06995	11.7
130.07784	43.2
131.08127	1.6
143.08565	10.2
145.06474	11.6
145.07645	2.5
145.10112	100.0
146.05946	2.4
146.08118	1.6
146.10416	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	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
53.97197	0.8
56.05033	2.3
57.03423	3.4
58.06593	3.6
59.15447	0.7
64.92799	1.1
67.05447	1.0
71.15269	0.9
72.08152	43.1
73.08471	1.1
80.31067	0.8
81.03429	0.8
82.06580	2.5
84.04504	7.1
84.08142	7.5
86.06071	1.6
87.04434	1.1
89.72821	0.7
91.05478	30.6
91.06066	1.6
95.04979	1.1
98.06100	1.0
100.07594	1.7
104.90178	0.9
104.90777	3.7
112.11234	8.8
117.05755	6.1
118.06535	100.0
119.04943	4.1
119.06085	1.0
119.06877	2.8
119.08567	0.8
123.96520	1.9
128.04948	11.1
129.13828	1.2
130.04976	2.2
146.06004	37.2
146.06970	1.5
146.08112	3.4
146.91888	1.8
147.04401	2.7
147.05466	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99667	0.6
55.05515	0.6
56.49338	0.7
63.02383	0.7
65.03934	11.6
91.05470	100.0
92.05813	2.0
92.18181	0.6
94.36745	0.7
105.07012	5.7
117.07046	1.2
119.04931	90.1
119.08573	7.2
120.05276	1.4
147.04393	28.5
147.05435	1.3
147.08061	0.8
147.09094	1.0
147.11627	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.01586	0.4
52.00146	0.4
65.03936	10.2
69.17452	2.7
76.31098	0.3
84.04500	4.9
91.05473	100.0
92.05795	1.8
95.04988	0.6
99.37124	0.4
105.07022	1.0
119.04932	95.4
119.08569	1.4
119.22633	0.4
120.05257	2.6
120.45938	0.4
130.04971	1.0
139.53859	0.4
144.64642	0.4
145.69588	0.3
147.04401	37.7
147.09113	0.8
147.11708	0.5
148.04776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03935	12.1
68.01498	0.3
69.28952	1.8
70.00120	0.3
74.21244	0.3
79.05468	0.4
81.49905	0.3
87.11260	0.3
91.05470	100.0
92.05807	1.9
95.04964	0.5
96.36520	0.3
98.22711	0.7
105.07021	1.0
119.04929	95.6
119.08563	2.3
120.05260	2.5
136.97160	0.3
147.04390	35.8
147.11673	1.0
148.04753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08303	0.4
65.03936	11.5
66.04246	0.4
71.26804	0.5
77.38602	0.3
81.42114	0.4
89.03893	0.7
91.05473	100.0
92.05798	2.3
95.04992	0.4
105.07043	1.8
119.04933	89.5
119.08570	1.6
120.05248	2.5
122.97787	0.4
125.00465	0.4
142.03545	0.4
147.04393	32.4
147.08101	0.6
147.09114	0.5
147.11681	0.5
148.04762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05507	0.5
65.03934	11.4
70.59574	0.7
72.08160	0.5
72.92597	0.4
79.05476	0.7
84.04494	5.3
91.05470	100.0
92.05805	1.8
95.04977	0.8
98.28885	0.4
104.06297	0.5
105.07016	8.1
117.06985	1.2
119.04928	94.1
119.08562	6.7
120.05250	2.7
130.04982	1.4
138.10664	0.4
147.04390	36.8
147.07997	1.0
147.11696	3.6
148.04758	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
63.73715	0.4
64.92810	1.6
65.03938	11.4
84.04491	4.4
90.31086	0.4
91.05473	100.0
92.05821	2.3
95.04987	0.7
103.05473	0.5
105.07060	0.9
119.04933	93.8
119.08577	1.1
120.05248	2.7
123.96440	2.1
130.04964	0.8
147.04393	34.0
147.09090	0.5
147.11714	0.5
148.04758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.70798	1.3
60.10160	1.3
60.39343	1.5
64.92802	24.1
69.87304	4.9
71.62664	1.4
79.05470	3.5
84.04497	5.0
91.05473	44.3
95.05008	1.8
105.07020	2.9
107.04946	45.2
107.25520	1.7
113.45282	1.5
117.07009	4.8
119.04942	2.8
119.08568	38.2
122.60039	1.5
123.96442	33.8
123.97299	3.0
128.06201	2.9
129.07018	2.1
131.04958	3.3
132.05705	22.9
141.81378	1.5
142.05920	1.5
145.06465	3.2
146.98029	3.8
147.04433	2.6
147.05495	8.4
147.08040	100.0
147.09099	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	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.43765	0.9
54.06129	1.1
55.05503	12.2
61.81583	1.1
64.92796	10.9
66.16083	0.9
67.05483	3.0
69.07053	1.6
69.20368	6.0
77.03901	1.0
79.05496	7.4
81.07042	2.4
86.09125	0.9
91.04947	1.5
91.05471	20.7
93.07030	3.1
98.23450	1.5
103.05447	2.7
105.07018	100.0
106.07344	3.7
107.08587	2.7
110.74079	1.1
117.07024	6.6
119.08566	76.2
120.08936	2.1
121.23188	0.9
123.96454	13.2
132.09361	2.5
145.10089	6.0
146.98042	1.1
147.05493	2.4
147.11665	58.0
148.12010	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05506	11.6
56.78785	0.7
64.04362	0.7
64.92796	3.7
65.03940	0.8
67.05483	2.1
69.07058	2.8
70.67564	1.4
75.17529	0.8
79.05480	7.0
79.25484	0.7
81.03415	0.8
81.07048	2.5
91.05470	26.1
92.05797	0.9
93.07038	2.4
95.04951	2.0
103.05453	3.4
105.07019	100.0
106.07349	2.4
107.08585	2.8
114.20374	0.7
115.05430	0.8
116.06242	0.8
117.07017	8.5
119.08567	76.2
120.08926	2.4
123.96446	5.4
131.08559	1.7
132.09299	2.3
145.10109	6.0
147.05548	1.3
147.09157	1.4
147.11667	47.7
148.12003	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03928	0.8
53.53497	0.6
55.05257	0.9
55.05508	13.0
56.85800	0.7
64.34686	0.6
64.92796	1.5
65.03938	1.0
67.05487	2.1
67.37370	0.6
69.07063	3.0
69.07354	0.5
70.77932	1.2
77.03920	0.6
79.05489	7.5
81.07035	2.1
89.85733	0.6
91.05471	25.2
92.05789	0.9
93.07037	4.0
95.04943	1.3
103.05471	3.2
105.07018	100.0
106.07314	3.5
107.08577	2.9
115.05441	0.6
117.07005	7.7
118.07843	0.7
119.08567	80.4
120.08917	2.6
123.45658	0.5
123.96460	0.6
130.07774	1.1
131.08565	1.5
132.09363	2.7
145.10106	6.0
147.11668	48.8
148.12007	2.2
166.78117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05499	11.1
67.05492	2.8
69.07059	2.3
69.30002	5.3
77.70535	1.0
79.05479	8.8
81.07033	2.3
91.04935	1.9
91.05469	24.2
93.07013	2.9
103.05441	3.4
105.07018	100.0
106.07332	2.8
107.08589	2.4
117.07021	7.9
119.08566	82.0
120.08878	2.1
122.03008	1.1
123.96405	1.9
131.08536	1.3
132.09309	2.4
135.29642	1.0
143.98253	1.2
145.10114	7.5
147.05458	1.5
147.11668	53.6
148.12006	3.1
164.19336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.84526	0.8
53.80308	0.9
55.05508	12.3
59.13100	0.8
61.97381	0.8
64.14278	0.8
64.92800	11.3
66.49649	0.9
67.05488	2.6
69.07050	2.6
71.11727	1.0
75.13925	0.9
77.03808	1.0
79.05476	8.2
81.07039	2.5
91.05469	26.5
93.07014	2.6
95.04982	1.6
103.05453	3.1
104.06298	0.8
105.07018	100.0
105.95391	1.4
106.07365	2.5
107.08578	3.3
117.07006	7.0
119.06144	1.8
119.08566	76.1
120.08881	2.5
123.96445	18.2
132.09314	2.2
142.78735	0.9
145.10080	6.1
146.98073	1.1
147.04445	1.6
147.05519	4.8
147.08017	1.2
147.09166	3.3
147.11670	56.1
148.11992	3.2
155.11067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
54.24642	0.7
55.05507	12.8
59.82624	0.7
63.95887	0.7
64.92797	15.3
65.03935	1.5
67.05479	3.1
68.78487	0.6
69.07050	3.3
79.05489	7.7
81.07031	2.3
84.04480	1.6
89.31317	0.7
91.05471	28.8
91.06052	1.4
93.07021	3.7
95.04954	1.7
98.23476	2.6
103.05449	2.9
105.07019	100.0
106.07303	1.6
107.08570	3.2
115.05442	1.4
117.07006	9.4
118.07774	0.8
119.06141	1.9
119.08565	83.6
120.04391	1.5
120.08898	2.4
123.96443	20.7
131.08603	1.2
132.09312	3.7
138.49368	0.8
145.10126	6.3
146.98009	2.1
147.04512	1.1
147.05475	4.2
147.07971	2.2
147.09175	3.5
147.11668	58.3
148.07523	1.3
148.12015	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	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05503	9.9
64.92789	4.9
67.05489	2.9
69.07059	2.6
71.11372	0.8
78.92499	0.7
79.05492	6.9
81.07041	2.2
91.05473	23.4
93.07026	3.5
95.04957	1.1
103.05460	3.3
105.07019	100.0
106.07343	2.3
107.08545	2.3
117.07016	6.5
119.08565	73.9
120.08924	2.7
120.52975	0.7
121.94003	0.9
123.96460	7.0
130.07780	1.3
131.08551	1.9
132.09322	2.5
145.10110	4.8
147.11665	47.2
148.12007	3.3
157.54907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.96073	0.8
55.05512	8.6
59.98512	0.7
60.27515	0.7
67.05486	3.1
69.07059	2.2
70.70753	1.3
70.71092	1.0
75.34064	0.7
77.03895	1.0
79.05475	6.5
81.07048	0.9
85.66077	0.8
89.99469	0.8
91.05472	25.2
92.28436	0.7
93.07042	2.1
95.04967	1.6
96.53917	0.8
101.11575	0.7
103.05453	4.3
105.07021	100.0
106.07350	2.5
107.08583	3.2
115.05478	1.0
117.06998	8.4
119.08569	80.2
120.08904	2.7
123.96510	1.1
129.07027	1.2
131.08607	1.2
132.09340	2.5
145.10141	5.5
147.08043	5.1
147.11678	45.8
148.12010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88676	1.3
55.05504	11.7
64.92800	9.1
65.03911	1.4
67.05492	2.0
69.07056	2.2
69.37405	1.2
75.35433	1.1
79.05487	8.8
81.07047	1.6
91.04939	2.3
91.05466	27.9
93.07039	2.5
103.05449	3.6
105.07018	100.0
106.07335	3.2
107.08574	2.5
117.06986	9.0
119.08566	76.0
120.08899	2.2
123.96458	11.3
124.27071	1.2
132.09360	1.8
133.04936	1.1
145.10101	4.6
147.05492	5.4
147.08150	1.4
147.09163	4.0
147.11661	51.6
148.12035	2.2
162.60466	1.4
166.55287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
55.01868	10.2
55.05504	2.1
62.63618	1.1
65.03936	45.4
67.05492	3.4
69.03418	1.7
69.25806	5.1
77.03911	1.8
78.04694	2.7
79.05486	30.4
89.03905	9.1
91.04936	2.1
91.05471	24.5
93.03393	12.7
93.07041	25.2
95.04957	5.4
101.22013	1.0
103.05466	2.4
105.04514	2.1
105.06342	2.2
105.07022	31.1
106.04156	1.8
107.04947	16.8
107.08586	32.4
111.04426	8.4
116.06240	3.6
116.09540	1.1
117.03366	4.7
119.06069	1.5
119.08563	1.1
121.02855	55.6
121.03969	21.5
121.05768	1.3
121.06461	6.9
121.10123	5.8
122.03201	2.7
129.06964	2.0
131.08563	18.9
132.08853	1.1
133.06470	2.0
134.03633	1.4
149.02328	100.0
149.05995	6.2
149.07007	1.4
149.09602	45.4
150.02695	3.3
150.09952	2.0
160.26506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03934	2.5
55.05510	12.0
55.94205	1.3
65.03936	39.7
66.04272	1.6
67.05496	8.8
69.07062	18.4
79.05484	25.2
81.07053	32.5
83.08596	1.8
91.05472	35.3
93.03381	10.9
93.07037	100.0
94.07384	2.1
95.04957	7.1
95.08590	7.6
105.03380	1.7
105.04484	3.6
105.07037	10.4
107.08587	63.1
108.04491	2.0
109.06534	2.6
111.04422	7.9
119.06057	3.4
119.08532	2.2
121.02853	45.7
121.03978	20.2
121.06450	3.0
121.10124	28.3
122.03182	2.2
122.06023	2.0
126.05476	2.1
128.06656	1.6
131.08504	2.2
149.02328	86.9
149.05966	2.4
149.07094	3.1
149.09612	40.5
149.13242	34.5
150.02675	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.19867	0.6
53.03950	1.9
55.01874	0.9
55.05508	4.3
57.07075	0.8
65.03936	50.1
66.04279	1.1
67.05502	10.9
68.99782	2.5
69.07059	6.7
71.42219	0.7
77.03922	1.3
79.05489	24.8
79.05948	1.3
81.01704	0.8
81.07050	31.0
83.08624	1.7
91.05470	11.6
93.03403	12.0
93.07037	30.9
95.04960	3.6
95.08587	5.6
105.04488	0.9
105.07027	3.5
107.04949	11.2
107.08585	27.2
108.04470	2.2
111.04436	9.0
119.06043	0.8
119.08572	0.9
120.05709	1.9
120.21898	0.6
121.02856	63.0
121.03969	20.7
121.06493	1.4
121.10142	9.5
121.77235	0.8
122.03188	2.4
122.06004	1.3
131.96144	0.8
147.11713	1.0
149.02330	100.0
149.07060	1.3
149.09610	5.2
149.13243	18.6
149.14445	1.0
150.02649	4.0
150.03706	0.9
167.03383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.05502	1.6
57.07067	1.2
65.03937	45.2
66.04267	1.1
68.99789	8.3
69.07050	1.7
71.03226	0.9
78.04684	1.3
78.71014	0.6
79.05488	7.7
81.07040	1.2
89.03913	6.2
91.02781	0.6
91.05476	9.0
93.03394	8.9
93.07043	9.7
95.04953	1.9
95.08588	1.0
103.05460	1.5
105.04474	0.8
105.07020	16.2
106.04193	0.8
106.07814	1.0
107.04931	0.9
107.08590	15.0
108.04503	0.7
109.06520	1.5
111.04443	7.2
116.06129	0.7
117.03359	1.8
119.08577	5.5
120.09374	0.9
121.02855	70.7
121.03961	14.8
121.06492	2.1
121.10136	34.1
122.03207	1.9
123.08067	1.9
131.08572	0.8
133.07584	2.0
133.10100	1.4
133.43449	0.6
134.03645	1.1
134.10860	1.3
149.02328	100.0
149.05977	2.8
149.09624	8.7
149.13235	5.1
150.02649	4.3
167.03503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.055
Annotation	3-Hydroxyindolin-2-one
Peak:m/z	Relative Intensity
51.02373	0.3
53.03945	0.2
57.62576	0.2
65.03924	0.5
66.04265	0.7
67.05489	0.6
70.26645	0.2
70.71480	0.3
72.93784	1.0
77.03929	0.3
77.89958	0.2
78.03448	0.2
80.05022	1.1
83.55410	0.2
90.94817	0.5
94.06575	1.9
95.04945	0.5
96.04466	0.3
101.24487	0.2
104.04982	38.2
105.05309	0.7
106.06549	0.5
107.89246	0.2
108.95832	0.2
112.04765	0.3
121.02896	0.3
121.04088	0.2
122.03192	1.4
122.04272	0.3
122.05998	1.8
123.04415	1.1
132.04440	100.0
133.04779	2.2
150.02757	3.8
150.05489	35.9
150.08888	0.2
150.09207	0.1
151.02797	0.2
151.05829	0.8
151.16484	0.2
168.06633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40421	0.2
53.03933	0.3
58.72847	0.2
60.64740	0.2
65.03941	0.9
66.04261	0.7
67.05503	1.7
72.93429	0.2
72.93768	1.1
77.03911	0.3
79.05513	0.2
80.05019	1.1
84.89874	0.2
90.90386	0.5
90.94819	0.7
91.05513	0.3
94.03727	0.4
94.06561	4.2
95.04958	0.4
96.04489	0.3
104.04984	37.0
105.05321	0.7
106.06557	0.8
106.12283	0.2
108.95872	0.3
122.03186	1.9
122.04312	0.7
122.06020	3.1
122.06850	0.4
123.04405	1.0
132.04440	100.0
133.04764	2.4
150.02740	4.3
150.05487	37.3
150.07576	0.7
150.08937	0.5
151.05827	0.7
168.06546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01384	0.3
50.01594	0.5
51.02370	0.8
52.03159	0.8
53.03944	1.8
55.01865	6.2
55.05488	1.6
57.03425	0.7
59.76881	0.3
65.03934	15.7
67.05495	18.5
68.05006	0.3
68.99774	0.3
69.03404	0.7
69.07083	0.3
76.40964	0.3
77.03940	2.7
79.05487	2.8
80.02631	2.8
81.03407	0.8
81.07042	3.9
83.04921	0.4
85.02874	0.4
91.01826	0.4
91.05470	7.1
93.03391	1.1
93.07050	2.9
94.04198	0.4
95.04957	12.8
95.08589	2.0
97.06541	0.4
98.03684	0.7
105.03390	1.1
105.04501	3.1
105.05235	0.5
105.07021	5.0
106.06530	0.4
107.04932	0.4
107.08582	3.2
108.02084	21.7
109.02941	1.5
109.06516	2.3
109.10169	1.3
111.04433	4.9
112.01620	0.4
112.03981	0.6
119.04919	2.3
121.03978	2.9
121.10069	0.4
123.03522	0.6
123.04398	6.2
123.08062	1.7
123.11699	0.8
127.07526	0.5
130.00583	0.9
131.94865	0.3
133.02827	4.0
133.04802	2.1
133.06499	0.6
133.07587	0.5
133.10109	3.0
136.01520	2.8
136.05141	0.4
137.05925	0.4
141.04314	0.5
141.05446	14.9
151.03896	100.0
151.05028	48.5
151.07530	3.6
151.08649	1.2
151.11150	5.5
151.12274	0.6
152.01344	0.9
152.04257	1.9
152.05354	1.0
152.07091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.075
Annotation	875-59-2
Peak:m/z	Relative Intensity
50.17908	0.4
65.03924	1.3
66.02730	0.3
66.04697	0.6
67.05490	0.6
68.64468	0.4
69.65709	1.1
77.03908	0.6
78.04694	1.4
78.49125	0.4
79.05482	2.6
80.06270	3.4
89.03941	0.4
90.04710	2.9
91.05473	9.3
93.03393	0.8
93.07010	0.5
95.04952	1.6
98.22742	0.7
105.03382	1.5
105.04521	0.4
106.04180	3.0
107.04944	30.6
108.05045	0.7
108.05734	13.0
109.06536	0.7
118.04162	1.9
119.04972	0.7
119.06030	0.8
135.04402	8.9
136.05179	6.0
151.07524	100.0
152.07893	2.4
156.62959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0751
Annotation	875-59-2
Peak:m/z	Relative Intensity
51.02363	0.3
55.01860	0.5
65.03925	1.4
66.04716	0.8
67.05493	0.6
71.28766	0.3
71.42390	0.4
74.51537	0.3
77.03934	0.4
78.04694	1.7
79.05490	3.4
80.06269	4.1
81.07059	0.6
90.04686	3.6
91.05471	10.3
92.05769	0.4
93.03406	0.5
93.07045	0.7
94.04137	0.4
95.04986	1.5
95.08579	0.6
104.95496	0.3
105.03381	2.4
105.04504	0.6
105.07037	0.6
106.04163	3.3
107.04946	34.9
108.05737	12.2
109.06503	1.0
109.10151	0.3
111.37070	0.3
115.40855	0.3
118.04171	2.1
119.04978	0.3
119.06060	0.4
121.06547	0.4
122.61266	0.3
123.08041	0.4
130.66975	0.3
135.04407	9.7
136.05203	4.9
151.07529	100.0
152.07932	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	151.0753
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
51.02367	0.5
51.11229	0.3
53.03945	1.2
55.01860	1.7
55.05513	2.6
57.07065	0.5
59.73706	0.3
62.10451	0.3
65.03941	3.8
67.05500	12.8
67.05865	0.6
69.03419	1.4
69.07051	0.7
69.22498	0.6
69.22905	1.1
71.04977	0.6
77.03925	1.8
79.05487	5.9
80.02616	0.7
80.05061	0.3
80.06254	0.3
81.03413	2.1
81.07051	15.9
81.94451	0.3
82.07379	0.5
83.05012	0.4
84.04519	0.3
91.05473	11.0
93.03385	0.5
93.07036	4.8
94.04223	0.4
95.04962	5.9
95.08599	11.9
96.08942	0.4
103.05475	1.1
104.04965	0.3
105.03399	1.5
105.04518	1.5
105.05320	1.1
105.07024	9.9
107.04939	5.1
107.08578	2.7
108.02087	3.6
108.05730	11.7
109.02882	0.6
109.06516	3.5
109.10121	1.4
110.06035	0.5
111.04417	0.5
112.43388	0.3
119.04944	3.5
121.03974	0.7
121.06483	0.6
121.10088	0.3
122.07281	3.6
123.04430	10.4
123.08057	100.0
123.11667	3.8
124.07581	0.6
124.08395	2.2
133.02844	8.0
133.04808	2.6
133.06453	2.8
133.10114	2.4
134.03117	0.3
134.06017	0.6
135.11728	0.3
136.01573	0.4
136.05167	0.9
136.39897	0.3
141.05478	2.1
151.02904	1.3
151.03888	18.0
151.05028	9.1
151.07529	24.3
151.08614	1.3
151.11142	4.1
151.12260	0.5
152.04340	0.4
152.07007	0.4
152.08032	0.4
158.11209	0.3
169.47165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
51.11229	0.3
53.03945	1.2
55.01860	1.7
55.05513	2.6
57.07065	0.5
59.73706	0.3
62.10451	0.3
65.03941	3.8
67.05500	12.8
67.05865	0.6
69.03419	1.4
69.07051	0.7
69.22498	0.6
69.22905	1.1
71.04977	0.6
77.03925	1.8
79.05487	5.9
80.02616	0.7
80.05061	0.3
80.06254	0.3
81.03413	2.1
81.07051	15.9
81.94451	0.3
82.07379	0.5
83.05012	0.4
84.04519	0.3
91.05473	11.0
93.03385	0.5
93.07036	4.8
94.04223	0.4
95.04962	5.9
95.08599	11.9
96.08942	0.4
103.05475	1.1
104.04965	0.3
105.03399	1.5
105.04518	1.5
105.05320	1.1
105.07024	9.9
107.04939	5.1
107.08578	2.7
108.02087	3.6
108.05730	11.7
109.02882	0.6
109.06516	3.5
109.10121	1.4
110.06035	0.5
111.04417	0.5
112.43388	0.3
119.04944	3.5
121.03974	0.7
121.06483	0.6
121.10088	0.3
122.07281	3.6
123.04430	10.4
123.08057	100.0
123.11667	3.8
124.07581	0.6
124.08395	2.2
133.02844	8.0
133.04808	2.6
133.06453	2.8
133.10114	2.4
134.03117	0.3
134.06017	0.6
135.11728	0.3
136.01573	0.4
136.05167	0.9
136.39897	0.3
141.05478	2.1
151.02904	1.3
151.03888	18.0
151.05028	9.1
151.07529	24.3
151.08614	1.3
151.11142	4.1
151.12260	0.5
152.04340	0.4
152.07007	0.4
152.08032	0.4
158.11209	0.3
169.47165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
50.60491	0.9
51.02380	0.8
52.82650	0.8
53.03937	3.0
55.01854	3.8
55.05260	1.3
55.05510	25.4
57.03426	1.5
57.07066	4.2
59.04988	1.4
65.03935	9.5
66.04248	0.8
67.05499	50.2
68.05833	1.2
68.99747	0.9
69.03420	4.1
69.07063	7.4
77.03935	1.4
79.05482	21.5
81.03415	2.4
81.07051	73.2
82.07410	1.1
83.04984	1.2
83.08591	2.2
85.06548	1.4
91.05472	26.5
91.06055	1.3
93.07035	14.6
95.04964	16.3
95.08599	25.0
97.06517	3.6
103.05462	1.3
105.04504	2.4
105.07019	28.1
106.06567	1.1
106.07308	1.0
107.04902	1.8
107.08582	33.7
108.02098	7.0
108.05737	1.1
108.09412	1.1
109.02888	1.0
109.06505	20.7
109.10146	100.0
110.10478	3.2
111.04435	1.4
119.04911	4.9
119.06054	1.5
121.04007	1.3
121.06516	1.9
121.07446	0.8
121.10155	4.1
122.07244	1.6
123.03467	1.5
123.04402	3.4
123.08063	11.7
123.08957	1.4
123.11694	23.5
125.09627	1.9
126.05546	0.9
127.07549	2.2
133.04799	1.1
133.06482	5.7
133.07478	1.5
133.10114	13.4
134.06027	1.0
136.08865	5.4
141.05458	3.3
151.02808	3.3
151.03888	31.3
151.05028	14.7
151.07538	16.9
151.08641	3.2
151.10240	1.6
151.11169	42.4
151.14813	1.5
152.04390	1.0
152.07079	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03939	1.6
53.22999	0.7
55.01857	2.3
55.05495	2.0
57.03426	1.1
57.07067	1.0
65.03944	3.4
67.05145	1.2
67.05495	11.1
69.03431	1.7
69.07049	2.5
70.72867	0.9
71.04987	1.6
77.03912	1.1
79.05493	6.1
81.07052	20.3
82.07415	0.7
83.04975	1.1
91.05471	17.7
93.07037	56.6
95.04959	10.0
95.08598	2.9
97.06518	1.7
105.04513	3.2
105.07026	16.2
107.08585	10.1
108.02086	1.7
108.05693	0.8
109.06514	17.4
109.10139	10.3
121.10103	2.1
123.04513	0.8
123.08073	5.6
123.11699	4.9
129.93085	0.7
131.08542	1.6
133.10121	15.6
136.08812	2.4
141.05418	2.4
151.03004	0.8
151.03879	13.5
151.05026	6.6
151.07552	2.1
151.11166	100.0
152.11539	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	151.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
53.22999	0.7
55.01857	2.3
55.05495	2.0
57.03426	1.1
57.07067	1.0
65.03944	3.4
67.05145	1.2
67.05495	11.1
69.03431	1.7
69.07049	2.5
70.72867	0.9
71.04987	1.6
77.03912	1.1
79.05493	6.1
81.07052	20.3
82.07415	0.7
83.04975	1.1
91.05471	17.7
93.07037	56.6
95.04959	10.0
95.08598	2.9
97.06518	1.7
105.04513	3.2
105.07026	16.2
107.08585	10.1
108.02086	1.7
108.05693	0.8
109.06514	17.4
109.10139	10.3
121.10103	2.1
123.04513	0.8
123.08073	5.6
123.11699	4.9
129.93085	0.7
131.08542	1.6
133.10121	15.6
136.08812	2.4
141.05418	2.4
151.03004	0.8
151.03879	13.5
151.05026	6.6
151.07552	2.1
151.11166	100.0
152.11539	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	152.0706
Annotation	cis-indole-2,3-dihydrodiol
Peak:m/z	Relative Intensity
51.02380	1.1
53.03949	2.9
55.01870	96.1
55.05489	1.4
56.02219	1.2
56.96569	1.7
58.02953	3.5
58.45591	1.0
65.03938	58.6
67.05494	8.8
68.05012	1.3
69.03423	4.6
70.87344	1.5
79.01844	3.0
79.05482	9.3
80.05022	10.0
81.03432	2.8
81.05800	6.0
81.07053	1.5
81.08334	1.2
82.06584	2.4
83.04992	2.1
84.04498	1.4
91.05521	1.3
92.05000	87.6
93.03409	7.0
93.05774	5.0
93.07044	2.0
94.06557	26.9
95.03677	1.3
95.04971	8.4
96.04477	4.4
96.08093	2.0
97.06516	2.3
98.06056	11.7
103.02422	2.2
104.04980	4.1
105.04494	1.5
106.05724	1.6
106.06557	6.3
107.04946	4.5
107.06076	1.3
108.04465	13.6
109.05256	31.3
109.06438	1.3
110.03645	7.5
110.06034	17.7
110.06736	1.7
111.04427	10.7
112.07518	1.2
119.03714	2.0
120.04462	41.6
121.03432	2.1
121.05247	2.0
122.02377	5.9
122.06022	42.3
122.36890	1.5
123.04449	1.9
123.06835	8.7
124.03921	3.4
124.07585	37.8
125.05983	15.9
132.04430	4.5
134.04993	6.5
134.06015	21.5
134.09645	1.4
136.03940	2.9
137.02388	1.6
137.04703	25.9
138.03136	1.2
147.01416	1.9
152.03380	2.7
152.05853	5.5
152.07054	100.0
152.10646	2.6
153.04146	1.8
153.05435	5.0
153.07431	3.1
153.09082	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
51.02386	0.3
52.78907	0.3
53.03936	1.0
55.01884	0.4
65.03941	3.8
67.05495	1.3
68.96310	1.0
70.62292	0.5
70.94241	0.6
70.95873	0.5
77.03904	1.7
79.05487	17.3
80.05827	0.4
82.04189	0.6
83.04968	0.4
93.03416	2.2
95.04964	5.9
97.06501	0.4
105.03363	0.8
105.04501	2.4
107.04945	16.5
110.03660	1.4
111.04443	3.5
121.02792	0.4
123.04419	6.9
125.05099	0.5
125.05985	5.2
130.96281	1.0
135.04410	3.2
135.05409	0.6
137.02328	31.9
138.03113	37.8
139.03461	0.5
139.05952	0.4
148.97354	1.3
153.05450	100.0
154.05826	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	153.0546
Annotation	Isovanillin
Peak:m/z	Relative Intensity
50.01596	1.0
51.02381	3.1
53.03938	2.7
55.01873	3.9
55.05483	0.9
55.42410	0.4
56.58448	0.5
61.13522	0.4
65.03944	3.7
67.03004	0.6
67.05159	1.0
67.05502	16.7
68.96346	2.7
68.99789	1.0
69.03394	0.5
69.07047	0.5
70.79652	0.6
70.94247	2.6
70.95856	2.6
77.03926	10.7
79.05481	6.5
81.07044	0.9
83.04961	2.1
86.97353	0.6
88.95288	0.8
88.96894	0.9
93.07040	1.9
95.04961	23.2
96.05289	0.5
97.02887	1.0
97.06509	0.8
105.03392	12.9
105.04483	5.2
107.04948	5.5
107.08578	1.3
109.98949	0.9
111.04440	1.2
111.08038	0.9
111.98479	0.5
123.04421	100.0
124.04712	2.2
125.05989	5.8
126.05492	1.0
126.06329	0.5
128.00006	0.6
130.96297	2.8
135.08150	0.7
138.03145	0.9
141.05481	2.6
148.97342	6.4
151.05008	8.2
153.01884	1.5
153.05458	69.1
154.05803	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	Isovanillin
Peak:m/z	Relative Intensity
50.01600	0.7
51.02379	1.9
53.03946	2.8
55.01871	4.0
55.05509	1.2
57.07076	0.6
61.12249	0.4
65.03931	3.7
67.03442	0.4
67.05499	16.1
68.99783	0.7
69.07055	0.7
69.17963	2.7
70.94244	0.5
71.01359	0.5
76.25211	0.4
77.03922	10.5
79.05488	7.2
81.07059	1.3
83.04979	2.4
91.05473	1.2
93.03405	1.0
93.07040	3.8
95.04961	22.1
95.08586	2.5
95.85738	0.4
97.06536	2.0
105.03388	11.2
105.04477	5.1
107.04939	4.5
107.08586	5.8
109.10146	1.1
110.77601	0.4
111.04424	2.1
111.08080	0.7
115.05745	0.4
123.04418	100.0
124.04770	2.2
125.05993	6.0
125.09695	0.4
135.04517	0.6
135.05501	0.4
135.08078	0.4
135.11708	2.5
138.03094	0.4
139.03899	2.3
141.05450	2.2
151.05014	7.5
153.05453	67.3
153.12758	1.9
154.05908	1.3
158.42589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	Isovanillin
Peak:m/z	Relative Intensity
50.07960	0.3
53.03954	1.0
55.01878	0.5
57.32491	0.2
60.66034	0.2
61.19967	0.2
65.03932	2.9
66.28400	0.2
67.05520	0.6
68.96336	0.3
70.02178	0.8
70.94267	0.4
77.03919	1.4
79.05486	16.1
79.73530	0.2
80.05827	0.4
80.44742	0.2
90.41026	0.2
93.03402	1.9
95.04955	4.1
97.06565	0.4
99.48872	0.3
105.04499	1.5
107.04942	13.5
110.03620	1.3
111.04418	2.3
123.04411	4.0
125.05965	4.9
130.96315	0.6
136.91978	0.2
137.02325	29.5
138.03107	36.6
139.03442	0.6
148.97322	0.7
151.04947	0.3
153.05446	100.0
154.05797	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.38730	1.1
53.03938	1.3
55.01863	4.0
55.05510	9.5
55.93534	1.2
57.03424	4.8
57.07072	2.7
59.04995	10.2
64.99747	1.4
65.03941	1.9
67.05501	26.1
68.96329	10.7
68.99471	1.1
68.99786	6.5
69.03429	14.8
69.07066	34.8
70.94263	10.9
70.95861	11.2
71.04993	6.9
71.36818	1.3
71.95263	1.6
73.06535	2.1
79.05487	15.3
81.07051	22.9
83.04999	6.6
83.08620	7.6
84.08152	1.3
85.06538	2.5
86.97369	3.0
88.95280	4.7
88.96890	4.3
91.05475	13.8
93.07045	39.2
95.04958	7.6
95.08601	60.7
96.08946	1.1
97.02890	10.1
97.06532	45.0
105.07034	4.8
107.01315	2.3
107.04951	3.7
107.06078	1.6
107.08592	58.3
108.04518	1.5
109.06519	5.2
109.10152	100.0
109.98939	4.3
110.05994	1.2
110.10480	1.7
111.04391	2.9
111.08080	6.9
111.96841	2.8
111.98460	2.6
119.06091	1.7
119.08563	7.1
120.09370	2.6
123.04451	3.1
123.11687	1.4
125.02338	5.0
125.05956	2.2
125.09651	1.3
126.05521	2.3
127.99991	2.6
130.96289	12.3
133.10117	1.2
133.82256	1.0
135.04459	2.0
135.05472	1.1
135.11687	41.2
136.03860	1.5
137.02281	1.2
138.03166	1.4
139.06288	1.1
148.97345	22.9
153.01830	3.9
153.05460	7.0
153.06538	2.1
153.09143	2.4
153.10223	1.5
153.12741	43.7
153.13797	2.1
153.70854	1.1
154.08638	11.3
171.99001	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
52.36395	0.4
53.03942	1.0
53.67854	0.5
55.01850	0.9
55.05497	2.1
56.28743	0.5
57.03431	1.4
57.07061	0.8
59.04998	5.8
65.03929	4.1
67.05498	5.1
68.96338	4.8
69.03416	2.2
69.07075	6.9
69.17103	3.3
70.94257	4.5
70.95865	3.8
71.04982	1.9
71.95295	0.7
77.03917	1.4
79.05490	20.5
80.04993	0.6
81.07058	3.2
83.04981	1.3
83.08619	1.1
85.41769	0.5
86.97356	1.2
88.95286	1.7
88.96902	1.7
91.05461	2.2
93.03400	2.1
93.07043	7.0
95.04971	5.0
95.08603	13.8
97.06529	8.3
98.22660	1.0
105.04512	1.7
105.07021	1.1
107.04948	14.0
107.06050	0.8
107.08586	12.5
108.04503	0.5
108.05230	0.5
109.06559	0.6
109.10152	20.7
109.98947	1.9
110.03658	1.5
111.04441	5.0
111.05621	0.6
111.08080	1.2
111.96879	1.1
111.98489	1.1
119.08551	1.4
123.04416	1.8
125.05993	4.1
125.09598	0.6
126.05529	0.7
127.99970	0.9
129.97923	0.8
130.96320	5.4
135.04373	0.7
135.08092	0.6
135.11699	8.4
137.02335	30.8
138.03122	33.9
139.03435	1.3
148.97340	8.8
153.05461	100.0
153.12735	10.5
153.13719	0.4
154.05817	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	153.1273
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03948	0.9
55.01847	1.0
55.05505	8.1
57.03432	4.1
57.07083	1.6
65.03919	1.4
67.02968	0.8
67.05498	28.5
69.03413	1.8
69.07059	42.9
69.36333	2.8
70.95850	2.6
71.04979	1.7
71.95256	12.0
77.03873	0.7
79.05038	1.6
79.05487	24.4
81.07050	34.4
82.07360	0.9
83.04966	3.2
83.08607	3.5
85.06532	1.8
91.05478	3.5
93.07037	41.0
95.04945	3.1
95.08597	16.1
97.06525	16.3
98.23473	1.5
105.06999	1.4
107.06090	0.9
107.08586	43.6
108.04450	2.1
108.08920	0.9
109.06533	1.0
109.10144	32.7
109.10890	1.7
111.05564	0.8
111.08073	6.4
111.11692	1.1
117.21567	0.8
122.02299	1.0
125.05959	1.8
125.07034	0.9
126.05502	0.9
126.06306	1.1
129.50397	0.8
135.11678	100.0
136.03848	1.1
136.12013	2.4
136.19313	0.8
138.04967	1.0
142.62883	0.7
147.01237	0.7
148.97318	1.3
153.05412	2.3
153.07407	3.2
153.12729	77.7
154.05002	2.0
154.13069	2.8
154.15878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03946	2.8
55.05507	15.8
57.03430	1.8
57.07072	2.3
59.05001	6.7
61.93094	1.5
65.03940	1.9
67.05504	12.0
68.96330	3.0
69.07055	10.9
70.94260	3.2
70.95843	2.7
71.04990	28.7
71.20865	3.0
71.95222	1.3
72.35928	1.4
73.06552	23.8
74.58621	1.4
77.03957	2.3
79.05491	40.8
81.07052	100.0
82.07372	1.5
83.04971	4.6
83.08611	2.0
84.55186	1.4
88.95261	1.5
91.05475	12.3
93.06446	2.5
93.07040	47.2
95.04974	7.9
95.08603	8.2
97.06520	9.8
105.04530	3.0
105.07036	4.6
107.04949	14.6
107.06084	1.9
107.08582	41.1
108.04464	3.3
109.06512	5.7
109.10155	7.0
109.98962	2.1
110.03648	1.5
111.04431	2.1
111.08089	10.2
111.11738	1.7
119.06026	2.0
119.08618	1.5
123.04420	4.9
125.06010	3.4
125.07034	1.9
125.09642	2.2
130.96326	3.2
135.04439	5.0
135.08080	4.3
135.11681	23.7
137.02296	9.4
138.03117	8.2
148.97348	3.3
153.05467	27.4
153.06570	2.1
153.09084	5.7
153.12750	10.3
154.08585	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	Lyratol
Peak:m/z	Relative Intensity
52.17221	1.2
52.63971	1.3
53.03935	2.5
54.53245	1.3
55.05506	15.6
57.07074	3.4
59.05005	8.2
60.55623	1.1
65.03922	2.1
67.05505	6.6
69.07068	8.9
69.40811	4.4
70.95856	1.9
71.04987	37.8
71.61805	1.1
73.06552	24.6
73.35796	1.6
79.05489	31.6
81.07052	100.0
82.07377	2.1
83.04964	3.1
83.08617	2.2
85.06523	2.1
91.05474	10.7
93.07041	43.2
95.04969	4.0
95.08604	8.2
97.06505	7.6
105.04497	1.3
105.07008	5.0
107.04980	2.5
107.08592	38.8
108.08949	1.2
108.30009	1.3
109.06499	3.6
109.10139	7.6
111.04457	1.8
111.08082	6.6
119.06036	1.7
119.08533	2.1
125.09656	1.9
135.08075	2.7
135.11665	24.2
153.09074	3.1
153.10228	1.6
153.12733	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	153.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01852	1.3
55.05508	14.8
57.03441	1.3
57.07053	2.2
59.05000	7.6
65.03938	7.4
67.05505	8.9
69.03432	1.3
69.07059	11.3
70.68975	1.4
70.95854	1.6
71.04990	32.8
72.03879	0.9
73.06152	1.6
73.06549	23.6
74.92359	1.0
79.05488	33.7
81.07047	100.0
82.07394	2.1
83.04957	3.2
83.08619	2.4
91.05478	12.0
93.03403	4.5
93.07034	42.0
95.04990	5.2
95.08588	7.2
97.06508	8.2
105.04519	2.1
105.07021	3.8
107.04941	3.7
107.08582	41.8
109.06501	3.9
109.10149	7.1
110.03642	1.8
111.04433	9.1
111.08076	7.0
119.08556	2.0
125.05983	4.8
125.09608	2.7
130.96245	1.6
135.08040	3.6
135.11681	23.6
137.72084	0.9
148.97424	1.5
153.01811	1.1
153.05479	2.7
153.07561	0.9
153.09103	2.8
153.12732	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03941	1.8
55.01852	1.3
55.05508	14.8
57.03441	1.3
57.07053	2.2
59.05000	7.6
65.03938	7.4
67.05505	8.9
69.03432	1.3
69.07059	11.3
70.68975	1.4
70.95854	1.6
71.04990	32.8
72.03879	0.9
73.06152	1.6
73.06549	23.6
74.92359	1.0
79.05488	33.7
81.07047	100.0
82.07394	2.1
83.04957	3.2
83.08619	2.4
91.05478	12.0
93.03403	4.5
93.07034	42.0
95.04990	5.2
95.08588	7.2
97.06508	8.2
105.04519	2.1
105.07021	3.8
107.04941	3.7
107.08582	41.8
109.06501	3.9
109.10149	7.1
110.03642	1.8
111.04433	9.1
111.08076	7.0
119.08556	2.0
125.05983	4.8
125.09608	2.7
130.96245	1.6
135.08040	3.6
135.11681	23.6
137.72084	0.9
148.97424	1.5
153.01811	1.1
153.05479	2.7
153.07561	0.9
153.09103	2.8
153.12732	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	155.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
52.03162	0.4
53.03941	2.2
55.01870	2.2
55.05494	0.6
55.93522	1.0
56.96559	0.5
62.17508	0.3
64.40576	0.3
65.03940	3.2
66.04710	0.3
66.53551	0.3
67.05499	4.5
69.03422	0.5
69.50397	1.2
69.96178	1.3
70.95859	17.9
71.94102	0.4
72.93784	14.9
74.45286	0.3
77.03923	3.9
79.05465	0.4
80.02650	0.6
81.03416	1.0
81.07070	0.3
82.04201	0.4
83.04975	1.7
88.96896	3.2
90.94817	3.3
93.03421	0.6
95.04961	53.1
96.05286	1.2
97.02883	5.9
97.06502	0.4
98.98473	1.0
99.04426	0.3
105.04504	5.8
107.01269	0.4
107.04976	0.3
108.02087	0.6
108.95853	0.5
110.03641	2.8
111.04453	2.1
111.98466	7.0
112.05259	0.4
113.05993	0.9
113.96396	2.5
120.34061	0.3
121.03994	0.9
123.04419	23.8
124.04707	0.4
125.02345	31.8
126.02690	0.6
127.07526	1.0
129.99495	2.3
131.96136	2.3
131.97418	1.1
132.95827	20.6
137.07034	0.3
140.04669	100.0
141.04985	2.1
149.97191	3.3
150.96877	30.2
155.07014	8.6
155.07938	0.3
155.97397	1.0
168.97903	0.7
173.98495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0853
Annotation	Acenaphthene
Peak:m/z	Relative Intensity
55.05490	0.6
56.96549	0.9
58.73045	0.3
69.22033	0.9
69.22446	1.1
69.96157	0.5
70.95856	4.0
71.94070	0.4
72.93777	4.6
77.03914	0.8
77.69754	0.3
83.04963	1.1
88.96906	0.8
90.94822	1.4
95.04942	1.8
98.98459	3.2
101.60934	0.3
105.04485	0.6
111.04426	0.4
111.64096	0.3
111.98457	1.4
113.06000	0.8
113.96394	1.3
115.05437	9.4
127.05415	0.6
127.07534	0.4
128.06209	4.7
129.06985	9.0
131.96147	1.6
131.97412	0.8
131.99625	0.5
132.95811	4.0
140.06216	0.5
141.06952	4.3
145.06465	2.1
149.97179	1.8
150.96880	6.4
152.06213	1.8
153.06970	25.0
154.07751	9.9
155.05984	3.4
155.08527	100.0
156.08994	3.5
173.98459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0854
Annotation	Acenaphthene
Peak:m/z	Relative Intensity
53.03941	0.2
68.61725	0.2
70.95848	0.3
72.93782	0.4
74.51470	0.2
77.03916	0.8
95.04967	1.7
98.98477	0.5
105.04497	0.7
115.05448	8.7
116.06269	0.2
127.01389	0.2
127.05412	0.9
128.05336	0.3
128.06226	4.3
129.06993	9.8
130.07359	0.3
132.95813	0.3
140.06181	0.2
141.06981	3.8
145.06467	2.2
149.97186	0.3
150.96872	0.3
152.06224	1.3
153.06981	23.6
154.07777	9.2
155.05994	3.5
155.08540	100.0
156.08945	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	155.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14238	0.2
62.28218	0.2
70.95846	0.5
71.06029	0.3
72.93781	0.8
77.03932	0.7
77.90913	0.2
95.04956	1.9
98.98472	0.5
105.04503	0.8
105.12219	0.2
115.05447	9.2
127.05405	0.7
128.06207	4.1
129.06999	8.7
129.07973	0.4
130.07301	0.3
131.96175	0.3
131.97401	0.3
132.95825	0.7
140.06131	0.3
141.06982	4.2
145.06480	2.3
149.97244	0.2
150.96899	1.0
152.06204	1.8
153.06979	24.0
154.07782	9.7
155.05984	3.4
155.08539	100.0
156.08989	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	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.2
56.96555	5.8
57.03411	1.2
66.07825	0.8
69.03430	1.0
69.78982	3.0
73.02908	1.1
74.09336	1.2
74.09715	19.6
77.39588	0.9
81.03411	1.3
82.05302	2.7
83.00764	1.8
83.06091	12.3
84.01546	4.1
93.02048	1.7
93.04520	9.2
95.06082	7.4
96.96889	2.3
97.02864	1.4
98.22672	1.1
101.00852	1.9
103.02412	2.4
105.02063	2.4
110.07156	100.0
111.02069	1.2
111.07497	1.4
112.05247	1.7
114.00987	1.1
115.02415	2.1
118.03529	1.4
119.01913	5.7
120.01978	2.1
120.97879	0.9
121.03442	2.2
121.90820	1.0
126.37971	1.0
130.06290	22.3
131.01837	2.0
132.01953	7.0
132.05048	5.6
133.01636	7.2
133.03430	10.2
134.79237	1.0
137.02985	1.6
147.03714	2.7
149.01207	3.9
150.03049	1.5
150.06056	3.1
150.16061	0.9
151.04492	2.4
156.04195	88.1
156.07632	8.4
157.09682	1.9
167.02219	1.8
174.06119	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	156.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47073	0.2
70.11855	0.2
70.12182	0.5
72.78962	0.2
74.09688	0.2
82.01436	0.5
82.99828	2.4
86.80357	0.2
90.49191	0.2
100.02471	0.8
101.00874	31.1
102.00984	0.9
114.04046	0.4
115.02428	0.6
118.03510	0.3
119.01912	100.0
120.01982	3.4
121.02338	0.6
124.02431	3.2
124.03731	1.3
127.18237	0.2
132.01973	0.5
132.05051	1.7
133.01659	0.3
133.03467	4.3
133.05162	0.3
137.02950	25.3
138.03035	0.8
142.03491	41.4
143.03659	1.4
147.03783	0.7
150.06168	1.1
151.04518	1.7
156.04173	0.7
156.05237	0.3
160.04550	10.7
161.04715	0.4
165.05067	0.5
174.06154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.4
55.05500	0.5
55.93517	0.9
56.05048	1.1
58.99863	1.3
70.95861	12.8
71.42450	0.5
72.04504	1.1
72.93785	8.0
74.93815	0.6
77.00899	1.0
82.01429	0.4
82.99834	1.0
83.04993	0.6
88.96905	3.8
89.51559	1.1
90.01634	1.2
90.94828	2.5
97.03745	2.2
100.02489	2.1
101.00870	14.7
102.00983	0.6
103.02463	1.9
110.05998	0.6
111.98473	4.5
112.06078	0.4
113.96409	0.5
114.04014	8.7
115.01214	0.7
115.02425	2.5
116.01938	2.2
118.03521	1.9
119.01911	66.2
120.02021	1.4
121.01532	0.5
121.03461	1.0
129.02704	5.5
129.49333	0.6
129.99464	4.2
132.05057	100.0
132.95821	12.3
133.01680	1.0
133.03470	23.9
133.05167	8.5
134.02972	11.1
134.04674	0.7
135.03925	0.5
137.02945	23.8
138.03035	1.0
138.03989	0.5
138.49892	2.4
138.99930	3.8
139.49648	2.3
141.00111	0.5
141.07138	0.4
141.50214	0.9
141.99934	0.7
142.03467	2.6
142.90331	0.5
143.58315	0.4
147.03755	33.2
148.03833	0.8
150.06108	65.3
150.50761	2.6
150.96875	27.5
151.00595	1.8
151.04507	10.9
151.06232	6.3
152.04016	1.5
152.05807	0.6
155.06647	1.3
155.97397	1.3
156.05034	13.2
156.06357	0.7
156.08006	0.7
156.96489	0.5
157.03439	0.6
157.04672	1.7
160.04526	1.4
165.04822	10.7
168.97890	1.3
173.07726	0.9
173.98468	1.3
174.06108	78.3
174.97580	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11938	1.0
54.29417	0.9
55.01846	1.6
56.96557	1.4
58.99842	1.9
69.72197	0.9
70.95848	2.0
71.04984	17.6
71.42208	0.8
82.99820	2.5
84.04494	3.3
85.01433	0.9
85.07607	1.0
86.06102	1.5
91.02441	1.3
96.04494	1.2
97.01410	1.3
100.02448	2.6
101.00876	36.3
101.01546	1.7
102.00980	1.7
103.02421	2.0
106.97849	1.0
114.04019	3.5
115.02422	9.3
117.03936	1.1
118.03502	1.2
119.01912	100.0
120.01999	3.3
124.02402	4.5
124.03699	32.3
129.02654	1.4
129.03978	2.2
130.03531	1.4
131.05547	10.0
132.01976	1.4
132.05057	19.7
132.95816	2.3
133.01700	2.1
133.03458	20.1
133.05115	1.4
134.03032	1.5
137.02953	22.2
139.09483	1.3
141.02663	1.9
142.03494	41.0
143.03650	1.0
144.05054	1.1
147.03764	3.9
147.04890	1.1
149.06621	8.3
150.06079	8.7
150.96887	1.5
151.04466	4.7
156.05020	8.5
156.06230	2.2
157.03442	1.6
160.04544	17.4
162.06148	1.5
174.06104	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	156.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11938	1.0
54.29417	0.9
55.01846	1.6
56.96557	1.4
58.99842	1.9
69.72197	0.9
70.95848	2.0
71.04984	17.6
71.42208	0.8
82.99820	2.5
84.04494	3.3
85.01433	0.9
85.07607	1.0
86.06102	1.5
91.02441	1.3
96.04494	1.2
97.01410	1.3
100.02448	2.6
101.00876	36.3
101.01546	1.7
102.00980	1.7
103.02421	2.0
106.97849	1.0
114.04019	3.5
115.02422	9.3
117.03936	1.1
118.03502	1.2
119.01912	100.0
120.01999	3.3
124.02402	4.5
124.03699	32.3
129.02654	1.4
129.03978	2.2
130.03531	1.4
131.05547	10.0
132.01976	1.4
132.05057	19.7
132.95816	2.3
133.01700	2.1
133.03458	20.1
133.05115	1.4
134.03032	1.5
137.02953	22.2
139.09483	1.3
141.02663	1.9
142.03494	41.0
143.03650	1.0
144.05054	1.1
147.03764	3.9
147.04890	1.1
149.06621	8.3
150.06079	8.7
150.96887	1.5
151.04466	4.7
156.05020	8.5
156.06230	2.2
157.03442	1.6
160.04544	17.4
162.06148	1.5
174.06104	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	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98625	0.4
56.96564	14.1
57.35115	0.2
65.34696	0.2
67.58308	0.2
69.45301	1.0
70.38474	0.2
71.95266	1.0
80.25273	0.2
95.29754	0.2
97.99174	0.2
98.22747	0.4
98.97577	100.0
99.97909	0.5
116.02027	0.3
116.98613	59.0
117.80844	0.2
117.98950	0.4
118.99016	0.2
119.01862	0.3
121.01633	0.3
125.38300	0.2
127.75016	0.2
133.03647	0.2
134.02960	0.6
134.04784	0.5
134.99648	20.5
140.00179	1.0
149.65582	0.2
153.00700	2.0
158.01234	0.8
176.05891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37947	0.2
56.96558	13.4
57.81282	0.2
57.93565	0.3
58.06596	0.5
63.35254	0.2
65.89473	0.2
69.90282	0.8
71.04986	0.8
71.06083	0.3
71.95254	0.9
78.24500	0.3
84.32007	0.2
97.99194	0.3
98.22827	0.3
98.97572	100.0
99.97905	0.5
115.80254	0.2
116.98608	57.5
117.98937	0.4
121.01653	0.3
134.01245	0.3
134.03003	0.3
134.99641	20.0
135.27747	0.2
140.00143	0.9
152.96875	0.4
153.00690	1.8
158.01199	0.7
158.12862	0.4
158.15376	0.7
176.05981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	36.7
57.03429	0.7
57.07078	1.7
57.93561	2.3
59.93105	5.4
69.21795	0.7
70.14996	1.6
71.95245	1.7
72.04520	0.7
72.14496	0.7
73.95664	1.2
75.93631	0.8
76.93369	1.1
77.94147	2.5
90.49546	0.7
94.46613	0.7
95.95168	1.5
98.97573	93.9
99.97875	4.8
101.00874	1.1
102.09152	3.5
114.05528	1.3
116.97231	3.2
116.98608	100.0
117.97606	1.9
117.98961	5.4
118.03532	0.8
118.96753	14.9
119.01940	2.7
131.04904	1.5
131.08585	1.4
132.06554	0.8
133.99066	1.0
134.99643	84.5
135.95667	1.4
135.96947	0.7
135.99988	5.3
136.26280	0.7
137.02904	1.5
140.00211	1.5
141.01836	1.1
142.03455	3.7
150.95534	0.7
152.96904	1.1
153.00691	13.2
153.96756	2.3
154.96426	6.5
158.01282	2.0
158.09564	0.8
158.15413	4.4
159.06894	0.8
159.09047	1.3
159.10207	1.0
159.11671	1.2
159.15750	1.6
160.04527	2.2
172.97491	1.2
176.02486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0916
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
56.96562	14.7
59.93081	1.2
66.35329	0.5
70.44922	0.7
70.45253	0.7
71.95235	0.8
72.08127	0.6
73.02370	0.6
73.95672	0.6
77.94125	0.6
81.04525	0.5
87.00799	0.9
91.05490	0.6
93.05751	0.5
95.95172	0.9
98.97576	48.0
99.97899	2.6
105.07048	0.9
109.67847	0.5
115.05444	18.5
116.04977	0.6
116.05741	0.6
116.98613	38.0
117.05746	15.2
117.98978	2.5
118.06574	3.6
118.96761	4.1
119.01846	1.0
130.06520	25.7
131.06847	3.3
131.08466	0.7
132.08078	100.0
132.90588	0.6
133.08487	2.4
134.99643	18.8
136.00020	1.2
140.04945	1.5
142.06511	25.0
143.07234	0.7
153.00723	2.3
154.96463	1.3
158.08395	1.9
158.46603	0.5
159.09160	80.2
160.07559	14.2
160.09528	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.40123	0.3
51.02349	0.6
53.03900	0.4
55.05476	0.5
56.20877	0.3
67.05482	2.6
70.06094	0.8
70.06467	0.7
71.63654	0.3
74.49146	0.3
79.05435	1.5
81.07008	1.0
90.89790	0.4
91.05470	20.4
93.06999	0.7
95.04897	0.5
103.05441	1.1
105.07019	20.7
106.07315	0.5
115.05447	5.5
116.05605	0.4
116.06245	5.2
117.07008	32.5
118.07364	0.8
119.04896	0.9
119.08577	10.1
120.08883	0.5
126.13996	0.4
128.06209	1.7
129.06990	18.0
130.07803	9.0
131.08554	65.3
132.08897	2.1
141.06955	2.6
142.07747	1.7
143.08502	1.4
144.05682	3.8
144.09340	23.7
145.06500	1.0
145.09677	0.8
157.10110	4.0
158.06837	0.7
159.08061	31.8
159.11678	100.0
160.08440	1.4
160.12036	3.4
169.07668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	0.7
65.03895	0.7
67.05495	3.3
71.43241	0.5
76.92838	0.7
79.05458	1.2
81.07021	0.7
83.64545	0.4
91.05471	16.4
92.05802	0.6
103.05441	1.2
105.07019	19.4
106.07352	0.5
109.40268	0.4
115.05446	5.3
116.06259	3.2
117.07009	28.6
118.07352	0.5
118.21422	0.5
119.04902	0.8
119.08571	9.2
128.06204	2.0
129.06987	16.6
130.07803	10.1
131.08557	59.4
132.08926	1.4
141.06952	2.3
142.07774	1.6
143.08572	1.6
144.05710	1.9
144.09338	25.7
145.06480	0.9
145.09804	0.6
157.10112	4.0
159.08069	20.9
159.11682	100.0
160.08530	0.8
160.12051	3.6
169.07657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44061	0.5
62.77491	0.5
65.85913	0.5
67.00689	0.5
67.05505	3.2
71.14848	0.5
76.92846	1.5
79.05487	1.3
81.07032	1.4
82.24701	0.5
90.02725	0.5
91.05467	9.6
93.00130	0.5
93.07039	0.6
93.64471	0.5
103.05462	0.6
105.07021	21.4
106.07288	0.6
113.94028	0.5
115.05445	3.5
116.06203	1.5
117.07001	22.5
117.99017	0.6
119.08577	10.2
128.06195	1.3
129.06984	15.3
130.07794	7.4
130.53000	0.5
131.08556	37.3
131.11731	0.8
132.08907	1.0
142.07747	1.9
143.08549	2.0
144.09325	27.4
145.09673	1.0
148.97772	0.7
157.10127	4.5
159.08046	1.6
159.11678	100.0
160.11980	4.1
171.19250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.41586	0.5
64.89886	0.5
67.05486	1.8
71.22933	0.6
79.05485	1.5
81.07050	1.2
91.05475	15.9
92.05759	0.5
95.55905	0.5
103.05438	1.2
105.07022	18.9
109.84222	0.5
115.05437	4.2
116.06249	4.0
117.07011	24.8
118.07348	0.6
119.08556	9.5
128.06178	1.6
129.06987	15.7
130.07823	8.8
131.08556	53.5
132.08900	2.0
141.06937	2.4
142.07726	1.4
143.08525	1.7
144.05661	2.9
144.09334	22.7
144.10477	1.2
145.09692	0.8
157.10152	3.9
159.08064	20.7
159.11681	100.0
160.08430	1.1
160.12015	3.5
169.07635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.52056	0.5
56.48470	0.5
65.03919	0.8
65.06520	0.4
67.05505	2.7
71.32404	0.5
79.05475	1.7
81.07028	0.8
85.31038	0.5
87.23727	0.5
91.05476	7.3
93.07001	0.8
103.05467	0.7
105.07021	23.3
106.23299	0.5
115.05452	2.6
116.06216	1.1
117.07003	23.4
119.08569	9.3
119.09408	0.7
128.06206	1.1
129.06996	16.1
130.07787	7.2
131.08554	37.4
132.08865	1.1
142.07768	2.7
143.08533	1.9
144.09323	28.2
145.09695	0.8
157.10100	3.5
157.11195	0.6
159.11673	100.0
160.12024	3.5
163.98930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
57.68343	0.4
61.16846	0.4
67.05495	2.9
69.20362	2.5
79.05466	1.4
81.07034	0.7
82.76680	0.4
91.05476	9.6
98.97607	0.4
103.05479	0.5
105.07020	21.8
106.07331	0.6
115.05420	3.7
116.06259	1.0
117.07011	32.0
118.96772	0.4
119.08569	8.5
128.06181	1.1
129.06989	14.6
130.07791	7.4
131.08557	40.0
132.08910	0.9
142.07765	2.0
143.08531	1.6
144.09334	25.0
145.09705	0.6
157.10092	4.4
159.11678	100.0
160.12003	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	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91143	0.5
56.10070	0.6
56.96562	1.2
59.33735	0.5
66.21645	0.5
67.05502	1.9
69.66659	0.8
69.67007	1.8
70.06581	0.6
76.92857	1.8
79.05488	0.9
81.07041	0.8
84.04452	0.5
84.40292	0.5
91.04934	1.0
91.05470	11.9
98.97569	2.2
103.05501	0.7
105.07021	21.7
115.05443	4.3
116.06259	2.8
116.98638	2.1
117.07009	31.9
117.98954	0.6
118.96764	1.4
119.08562	10.3
126.76723	0.5
128.06218	2.0
129.06992	14.2
130.07776	7.2
131.08557	39.6
132.08897	1.1
134.99652	1.4
139.37910	0.5
141.06987	2.0
142.07738	1.7
143.08513	1.9
144.05687	1.3
144.09329	27.1
145.09721	0.6
154.96452	0.6
157.10092	5.0
159.08133	5.6
159.11673	100.0
160.12000	4.4
169.07616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96526	0.4
65.03920	0.3
67.05500	3.3
69.58654	0.6
69.59038	0.6
71.39784	0.3
71.62337	0.3
74.50906	0.3
76.92890	1.6
76.93245	0.3
79.05476	1.2
81.07059	0.6
89.63691	0.3
91.04951	0.5
91.05479	7.4
93.07044	0.4
93.87086	0.3
98.97598	0.4
103.05442	1.3
103.57166	0.3
103.58018	0.3
105.07021	22.3
106.07357	0.5
106.28097	0.3
111.73872	0.3
115.05423	3.4
116.06243	1.4
116.27419	0.3
116.98608	0.8
117.07010	30.4
118.07390	0.6
118.96792	0.8
119.07743	0.8
119.08567	11.2
128.06192	1.4
129.06996	14.0
129.07971	0.7
130.07770	7.3
131.08554	35.3
132.08865	0.9
142.07764	2.3
143.08565	1.9
144.09329	26.6
145.09641	0.9
157.10110	4.8
159.11674	100.0
160.12000	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.68913	1.0
56.96553	1.1
67.05490	2.8
69.69300	2.0
76.92863	7.0
76.93228	1.0
79.05479	1.2
91.05473	8.6
94.03914	1.0
98.23405	2.4
98.97549	2.0
105.07024	23.5
114.06636	1.3
115.05424	2.9
116.98632	1.4
117.07005	21.9
118.60551	0.9
118.96748	1.8
119.08576	10.3
128.06183	1.5
129.06990	11.6
130.07797	7.2
131.08557	37.4
131.11749	1.0
134.99664	1.5
142.07745	1.8
143.08511	1.2
144.09325	24.9
145.09666	1.3
154.01169	1.2
157.10078	4.9
159.08029	2.2
159.09009	2.5
159.11674	100.0
160.12013	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	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24813	0.3
53.38948	0.3
56.76162	0.4
59.44941	0.4
65.03950	0.5
67.05495	2.2
70.32760	0.3
76.92841	1.6
77.77048	0.3
79.05486	0.9
81.07040	0.9
91.05471	8.5
103.03309	0.4
103.05444	0.9
105.07018	21.1
115.05439	3.7
116.06211	0.9
117.07010	31.3
118.07339	1.1
119.08574	9.2
128.06198	1.7
129.06993	13.8
130.07793	6.8
131.08556	36.6
132.08928	1.1
142.07768	2.4
143.08492	1.2
144.09334	23.4
145.09958	0.8
157.10097	4.4
158.10535	0.4
159.11678	100.0
160.12022	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05486	0.5
67.05506	3.1
71.04967	0.4
76.92857	3.4
79.05488	1.1
81.07047	0.7
91.05467	8.6
93.00877	0.6
103.05405	0.8
105.07018	20.7
105.07732	1.1
106.07317	0.7
115.05434	3.2
116.06253	1.2
116.98558	0.6
117.07001	30.6
118.96799	0.7
119.08571	9.4
128.06216	1.6
129.06987	14.2
130.07787	7.3
131.08549	37.5
132.08888	0.7
135.77533	0.5
142.07755	1.8
143.08574	1.4
144.09326	26.1
145.09731	0.5
157.10091	4.7
159.11671	100.0
160.12010	4.2
163.09885	0.5
171.61263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04540	1.8
67.05504	2.4
72.26801	1.7
76.92857	10.4
91.05466	9.1
96.96381	2.0
98.97518	1.6
105.07003	15.4
115.05444	2.9
117.06998	28.0
118.96755	2.0
119.08559	9.0
124.23157	1.6
129.06993	17.1
130.07742	7.4
131.08549	41.4
131.11813	2.1
143.08514	1.6
144.09317	17.7
157.10112	4.8
159.09117	5.7
159.11674	100.0
160.12024	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
65.03916	0.3
67.05506	2.0
69.22617	0.7
69.23017	1.1
79.05476	0.9
81.07056	0.8
87.00818	1.0
91.05473	6.6
98.97572	0.8
103.05450	0.7
105.07024	15.3
106.07367	0.7
115.05454	2.9
116.06236	1.1
116.98635	0.5
117.01846	1.0
117.07012	25.3
117.98960	0.4
118.06513	1.1
118.07323	0.7
118.96741	0.5
119.08572	6.7
128.06209	0.8
129.06992	12.5
130.06523	0.3
130.06700	0.4
130.07788	5.6
131.04895	1.0
131.08559	28.3
132.08073	2.1
132.08925	0.5
141.06924	0.5
142.06683	0.4
142.07764	1.2
143.08549	2.4
144.05635	0.6
144.09332	24.3
145.09633	0.4
157.10097	3.2
159.11679	100.0
160.07455	0.3
160.12000	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	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.2
58.99858	0.3
59.93112	0.9
60.00632	0.2
68.68587	0.2
69.86504	0.6
72.34829	0.2
77.94146	0.5
82.01435	0.4
82.99827	2.2
95.95175	0.2
100.02473	1.5
101.00872	23.3
102.00950	0.5
116.98624	0.2
118.03515	5.1
118.96761	3.5
119.01912	100.0
120.01978	1.2
121.02337	0.4
124.02440	2.9
130.95711	0.2
132.06572	0.2
133.99075	0.2
136.02826	0.3
136.04544	3.3
136.95329	0.2
137.02946	31.6
138.03036	0.5
142.03491	39.0
143.03638	1.5
154.96452	1.2
155.91675	0.2
160.04544	31.5
161.03006	1.6
161.04810	1.3
162.98447	0.2
165.05106	0.5
167.25371	0.2
178.05597	9.0
179.04008	2.4
179.05646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29789	0.2
53.55373	0.2
53.93524	0.2
63.41936	0.2
69.03412	0.3
69.90579	0.7
77.09006	0.2
80.73763	0.2
82.01429	0.4
82.99831	3.1
98.97586	0.5
99.97923	0.4
100.02488	2.5
101.00873	33.6
102.00959	0.7
108.91050	0.2
117.98959	0.3
118.03516	5.0
118.96738	0.9
119.01911	100.0
120.01991	1.6
121.02332	0.3
124.02442	3.7
132.88812	0.2
136.02748	0.3
136.04539	2.7
137.02946	22.4
138.03044	0.6
142.03491	38.5
143.03650	1.7
160.04546	28.0
161.02960	1.6
161.04640	1.0
165.05122	0.3
175.81897	0.2
178.05606	6.5
178.07236	0.3
179.03992	1.9
179.05463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85284	0.2
59.16397	0.2
59.93105	0.2
65.03934	0.7
70.71423	0.2
85.32657	0.2
90.03425	0.7
92.05002	2.5
92.26978	0.2
94.56615	0.2
101.76489	0.2
105.04503	2.5
105.07015	0.8
107.06036	0.2
118.96722	0.3
119.08570	0.3
132.05563	14.3
135.05533	2.2
160.05045	100.0
161.05467	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00639	0.1
69.61158	0.2
82.99818	1.8
100.93839	0.1
101.00870	25.5
102.00939	1.8
102.02831	0.1
103.00624	0.3
105.07030	0.1
119.01908	100.0
120.01983	6.1
120.03223	0.2
121.01584	0.8
121.02379	0.4
124.02404	0.2
125.02586	0.2
137.02943	28.5
138.03033	1.6
139.02615	0.2
142.03479	1.0
143.01955	0.2
143.03633	2.9
143.39828	0.1
144.03200	0.6
156.97467	0.2
160.04597	0.2
161.02953	3.6
161.04645	2.1
161.06947	0.1
162.03091	0.2
162.04306	0.4
176.04033	0.2
179.02394	0.2
179.04002	4.7
179.05655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99035	0.1
59.47380	0.1
60.00642	0.2
60.12465	0.1
65.85250	0.1
69.88363	0.1
69.88726	0.4
82.15258	0.1
82.99834	1.6
93.95754	0.1
98.22819	0.2
101.00871	24.5
102.00928	1.6
103.00602	0.3
103.01250	0.1
107.13427	0.1
119.01910	100.0
120.01991	5.6
120.03201	0.2
121.01608	0.6
121.02410	0.3
124.02469	0.2
125.02568	0.3
133.63638	0.1
137.02946	29.8
138.03032	1.6
139.03477	0.1
142.03473	1.2
143.03618	2.7
144.03214	0.7
157.03545	0.1
160.04602	0.2
161.02946	3.5
161.04613	1.9
161.07079	0.2
162.04309	0.5
173.04619	0.1
176.04184	0.1
179.03998	5.1
179.05655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19951	0.1
58.99870	0.2
60.00635	0.1
61.96592	0.1
62.24771	0.1
62.59099	0.1
67.77297	0.1
69.78929	0.4
76.28005	0.1
77.00486	0.1
78.36021	0.1
82.01424	0.3
82.99822	2.4
98.22710	0.1
100.02460	0.7
101.00867	29.1
102.00930	1.9
102.02232	0.1
103.00616	0.3
118.03484	0.4
119.01904	100.0
120.01982	5.2
120.03172	0.2
121.01651	0.6
121.02380	0.4
124.02431	0.2
125.02581	0.2
137.02937	25.6
138.03021	1.5
142.03473	0.8
143.01970	0.3
143.03636	2.7
144.03267	0.5
149.50813	0.1
161.02940	3.5
161.04623	1.9
162.04333	0.5
174.86092	0.1
179.03986	5.0
179.05556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32594	0.2
54.28064	0.2
54.60669	0.2
70.06600	0.9
70.42094	0.4
70.89187	0.2
72.08186	0.2
74.81451	0.2
82.99830	2.7
84.04488	0.4
98.97569	0.5
101.00873	27.2
102.00925	1.9
102.05782	0.2
103.00629	0.4
105.09378	0.2
111.00507	0.2
116.13381	0.2
116.98582	0.2
119.01911	100.0
120.01986	5.5
121.01595	0.9
121.02396	0.4
125.02551	0.3
137.02951	26.1
138.03036	1.5
142.03461	0.7
143.01892	0.5
143.03635	2.7
144.03226	0.6
161.02943	3.8
161.04649	2.2
162.04213	0.4
163.34506	0.2
177.33987	0.2
179.04012	4.9
179.05502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03943	1.0
53.27506	0.3
54.91924	0.3
55.01868	1.3
55.05511	0.4
65.03918	0.3
66.64938	0.3
67.05502	0.5
69.03423	0.9
69.07047	0.3
69.99301	0.8
77.03926	1.0
79.05486	19.0
80.05821	0.4
81.03419	0.5
81.07035	0.4
91.05467	4.2
93.07034	1.4
95.04966	5.8
103.05460	10.8
105.03377	0.3
105.04510	2.2
105.07019	38.2
106.07368	1.0
113.59606	0.3
115.05472	1.8
117.07004	1.0
118.04150	0.5
119.04916	0.3
119.08563	4.0
121.06480	1.3
128.06212	3.9
131.04926	0.7
131.08556	0.9
132.05649	0.5
133.06473	3.9
133.10115	6.0
143.08556	5.5
145.06468	0.6
146.07246	3.0
155.05969	0.3
161.05960	100.0
161.09584	12.3
161.13231	2.1
162.06329	2.5
162.09988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01596	0.6
50.94853	0.4
51.02384	0.6
51.18807	0.4
53.03930	1.6
53.51014	0.4
55.01874	4.1
55.05515	2.9
59.15458	0.4
63.15361	0.5
66.04711	0.8
69.07060	1.8
71.00523	0.8
76.16219	0.4
77.03924	1.8
79.05486	21.5
80.05813	0.5
81.07042	0.9
83.06931	0.5
89.03903	1.2
90.04687	5.9
91.05483	4.9
92.02600	1.2
93.07031	1.3
95.04971	7.2
99.77727	0.4
102.04664	0.6
103.05462	24.1
105.04556	2.6
105.07021	100.0
106.07358	2.0
107.04938	1.4
107.08585	0.6
111.06393	0.7
115.05445	29.8
116.05756	0.6
117.07018	1.0
118.04152	20.8
119.01867	0.6
119.08570	18.1
121.10107	0.7
131.04909	4.3
131.08540	1.6
131.44441	0.4
132.05696	0.7
133.06479	44.2
133.10117	9.7
134.06842	1.0
143.04950	0.7
143.06004	5.5
146.03641	0.6
146.10898	0.9
159.11691	0.8
160.67117	0.4
161.05978	7.3
161.07138	0.9
161.09592	1.2
161.13243	13.2
161.14528	1.0
162.13574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.01867	4.1
55.05493	1.7
69.07060	1.0
69.60510	1.3
69.60894	1.1
71.96636	0.6
77.03923	2.3
79.05488	19.5
81.07027	0.9
81.41711	0.7
88.42628	0.7
89.03906	0.9
90.04711	4.3
90.14982	0.6
91.05470	5.2
92.02613	0.7
93.06994	0.7
95.04974	5.7
103.05464	22.5
105.04512	2.3
105.07024	100.0
106.07368	2.4
107.04956	0.6
115.05451	28.5
116.05804	0.7
117.07027	1.4
118.04155	18.6
119.01920	0.6
119.08562	12.3
121.10134	0.9
131.04916	4.4
131.08585	1.1
132.05722	1.0
133.06485	42.6
133.10117	7.1
143.04938	1.1
143.06015	6.0
146.03568	0.7
146.07249	0.9
154.88809	0.6
159.11697	0.9
161.05980	9.7
161.07152	1.3
161.09630	3.4
161.13252	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.33124	0.7
53.03938	4.5
55.01874	2.3
55.77240	0.8
63.82738	0.7
65.03944	1.2
68.56888	0.7
69.07081	0.9
69.33436	3.3
73.95667	0.6
77.03920	4.9
79.05490	56.8
79.32638	0.7
80.05806	0.8
81.07085	0.7
90.04689	0.7
91.05485	4.4
95.04969	18.9
98.22602	1.0
103.04763	1.1
103.05464	34.0
105.04529	8.3
105.07024	100.0
106.07374	2.7
113.19564	0.8
115.05454	12.5
118.04164	5.5
119.04869	0.9
119.08572	6.8
120.97871	0.7
131.04913	2.0
133.06485	27.3
133.07512	1.8
133.10123	3.4
143.03540	0.8
143.04930	1.1
146.03610	2.2
159.59491	0.8
161.05965	82.7
161.09547	4.7
161.13269	3.7
162.06462	1.5
164.37669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02382	0.9
51.25924	0.8
53.03949	1.8
55.01874	5.0
55.12849	0.8
57.53858	1.0
70.67134	2.1
75.23976	0.9
77.03916	1.6
79.05486	16.3
85.81310	0.9
90.04662	0.9
91.05450	5.2
95.04946	9.6
103.05461	36.6
104.05874	0.9
105.04487	3.4
105.07022	100.0
106.07356	1.7
107.04977	1.5
115.05448	31.1
118.04151	14.7
119.08566	3.4
131.04939	10.4
132.05775	1.1
133.06490	36.6
133.07524	2.2
133.10098	3.5
134.05922	1.0
143.05051	1.5
143.06046	8.6
143.08508	0.9
146.03621	44.2
149.05978	1.3
161.05965	49.0
161.07098	3.8
161.09586	5.9
161.13252	3.4
162.05319	1.0
162.06456	1.2
162.07558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31119	1.0
54.75768	0.9
55.01855	1.5
55.05506	5.3
56.60213	0.9
60.61082	0.9
61.27169	0.9
63.72547	0.8
65.03923	1.9
67.05496	6.1
69.03416	4.9
69.07051	3.1
79.05475	9.0
81.03416	0.9
81.07036	8.7
91.05468	95.1
92.05817	1.9
93.07033	9.1
95.04951	3.3
95.08591	2.4
101.52038	0.9
103.05453	3.6
104.06211	1.9
105.07015	93.8
106.07338	2.2
107.04925	5.1
107.08575	2.7
107.56721	0.8
113.49437	0.9
115.05418	5.0
116.06254	1.3
116.64093	0.8
117.07005	16.5
118.07796	2.7
119.04934	2.5
119.08566	50.4
121.06500	4.5
128.06209	37.8
131.04922	1.4
131.08548	11.7
132.05667	2.3
132.09351	1.8
133.06483	8.5
133.10109	46.4
134.10422	1.0
141.06924	1.3
143.08537	54.6
144.08894	1.3
145.06471	4.0
146.07243	12.1
155.05945	2.3
159.08070	1.7
159.11684	1.2
161.05965	2.7
161.09599	100.0
161.13229	38.4
162.09853	2.3
166.57721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60402	0.6
55.01857	1.6
55.05504	5.8
57.40020	0.6
64.33538	0.8
65.03921	0.7
67.05495	3.3
69.03419	5.1
69.07062	3.3
69.77834	2.5
77.03928	1.0
79.05487	7.3
81.07053	5.3
83.99250	0.7
91.05476	38.6
92.05775	0.7
93.07035	10.5
95.04960	3.4
95.08591	1.1
103.05454	3.0
104.06216	0.8
105.07020	86.0
106.07349	2.3
106.10966	0.6
107.04944	5.0
107.08576	1.7
115.05429	4.4
117.07014	17.7
118.07834	3.1
119.04919	2.1
119.08574	49.5
121.06488	7.0
123.50861	0.7
128.06209	31.2
131.04900	2.3
131.08559	8.2
132.05708	1.6
132.09375	1.5
133.06477	6.8
133.10115	48.7
134.10454	1.5
141.06985	1.8
142.07803	1.0
143.08546	40.0
145.06496	4.5
146.07259	15.6
146.10735	0.6
155.06009	1.6
159.08031	0.8
159.11681	1.0
161.05956	2.3
161.09608	100.0
161.13254	29.5
162.09933	2.8
162.13609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.05497	3.9
66.35594	0.9
67.05503	3.1
69.03425	10.3
69.07043	1.9
79.05495	10.1
81.07043	1.6
91.04941	1.4
91.05476	22.4
93.07034	8.4
95.04963	11.9
103.05447	3.1
105.07021	95.1
106.07321	1.5
107.04960	1.5
107.08617	1.4
112.06767	0.8
115.05441	4.4
116.06230	1.7
117.07027	5.6
118.07806	3.2
119.04928	1.4
119.08573	22.9
121.06503	8.1
128.06207	29.3
131.04922	4.0
131.08557	7.6
132.05710	1.3
133.06482	2.7
133.10123	44.6
134.10487	1.6
134.46918	0.8
141.06999	1.5
142.07822	1.3
143.08551	50.4
144.08882	1.0
145.06462	3.9
146.07259	27.5
155.06035	2.3
159.11618	1.1
161.09605	100.0
161.13264	13.7
162.09990	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.48171	0.5
53.03938	0.6
54.71473	0.6
55.05505	4.3
61.98306	0.5
63.75547	0.5
67.05507	1.4
69.07059	5.1
71.43162	0.9
76.27132	0.6
79.05479	4.5
79.11825	0.6
80.39217	0.6
81.07049	10.1
91.05475	17.9
92.05794	0.7
93.07055	4.9
95.05000	0.8
95.08615	1.0
103.05460	2.2
105.07023	82.8
106.07373	2.4
107.08595	2.5
111.98317	0.6
115.56763	0.7
117.07033	4.1
119.08572	100.0
120.08916	2.2
121.10122	1.1
130.07716	0.6
131.08575	5.1
132.09337	1.3
133.06361	0.6
133.10118	30.6
134.10416	0.7
145.10162	1.5
146.10782	2.1
159.11700	2.3
161.07095	1.6
161.09586	1.7
161.13251	63.8
162.13593	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.2
60.04513	0.7
67.05496	1.3
69.07056	3.8
70.77853	1.2
79.05489	3.8
79.97054	0.6
81.07051	3.7
84.44112	0.6
91.05467	13.8
93.07041	2.9
95.04932	1.0
95.08585	0.9
103.05442	1.3
103.77347	0.7
105.07017	63.3
106.07355	1.3
107.08570	1.7
109.98632	0.5
117.06994	4.1
119.08566	100.0
120.08900	2.3
121.10093	0.8
131.08554	2.5
132.09322	0.9
133.06432	0.7
133.10110	19.0
134.84387	0.6
145.10115	0.9
146.10878	1.1
159.11716	1.6
161.07092	1.6
161.09587	2.6
161.10971	1.3
161.13245	36.8
161.23302	0.6
162.13560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97710	0.6
55.05502	2.5
67.05469	1.0
69.07061	2.7
72.26145	0.6
79.05477	3.4
81.07049	4.6
91.05479	13.6
93.07034	2.6
93.92914	0.7
95.08018	0.8
95.08595	0.8
103.05459	1.9
105.07023	58.6
106.06558	0.7
106.07372	1.6
107.08583	1.0
115.05466	0.8
117.07002	3.7
119.08570	100.0
120.08929	1.9
131.08556	2.6
132.09309	0.9
133.10117	18.4
143.08517	0.8
144.13931	0.7
145.10132	1.2
148.64806	0.9
159.11710	1.5
161.07120	3.6
161.09590	3.1
161.13240	36.5
162.05473	1.6
162.13606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.06923	0.3
53.03922	0.5
55.05508	3.0
65.03930	0.3
67.05504	1.4
69.07069	3.7
70.78024	0.4
77.03926	0.3
79.05499	2.9
81.07052	4.9
83.48418	0.4
91.05476	16.2
93.07030	3.6
95.04990	0.7
95.08604	1.0
103.05444	2.0
104.06225	0.7
105.07023	63.4
106.07283	1.5
107.08590	1.4
115.05442	1.0
117.06994	3.5
119.08572	100.0
120.08875	2.6
121.10159	1.1
128.06213	7.8
130.07750	0.6
131.08571	3.7
132.09285	0.4
133.06487	0.6
133.10118	19.0
141.02522	0.3
143.08553	5.1
145.10155	0.6
146.10823	1.2
155.06003	0.7
159.11699	1.3
161.07144	0.9
161.09622	1.9
161.13252	35.8
162.13576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90201	0.4
55.05513	2.8
65.03918	0.5
67.05486	1.2
69.07061	3.4
71.43061	0.5
75.70462	0.4
79.05483	3.2
81.07044	5.2
91.05468	13.6
93.07031	3.9
95.04954	0.5
95.08608	0.5
103.05441	1.2
105.07015	57.7
106.07343	1.8
107.08594	1.0
117.07005	3.4
119.08564	100.0
120.08862	2.4
121.10136	0.7
126.58012	0.5
131.08562	2.0
132.08908	0.3
133.10112	18.1
134.10423	0.6
145.10138	0.8
146.10898	1.0
159.11659	1.7
161.07133	2.0
161.09590	1.1
161.13237	38.5
162.05450	0.5
162.13574	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.18222	0.7
54.14898	0.7
55.05504	2.6
67.05499	1.3
69.07066	4.3
79.05489	2.6
81.07059	5.3
83.08592	0.9
91.05474	15.0
93.07053	4.1
103.05459	1.9
104.06256	0.7
105.07021	78.2
106.07339	1.9
107.08595	1.3
116.43735	0.8
117.06983	3.7
119.08571	100.0
120.08920	2.7
121.08765	0.7
121.10151	1.5
131.08600	2.3
132.09399	1.0
133.10123	22.0
133.11142	1.2
134.10440	0.8
146.10820	1.2
159.11690	1.8
161.07123	3.0
161.13243	42.4
162.13602	1.5
165.79906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.9
62.85338	1.2
69.07052	4.4
69.08391	9.0
79.05478	4.9
81.07058	8.8
91.05471	18.9
93.07032	6.5
95.08581	2.2
98.23503	2.9
103.05495	1.5
105.07024	90.6
106.07331	1.5
107.08595	1.6
115.05460	1.4
117.07002	4.4
119.08573	100.0
120.08910	2.6
121.10127	2.1
131.08554	4.4
132.09299	1.5
133.10118	32.5
145.10150	1.6
146.10889	2.0
159.11681	2.6
161.07100	4.0
161.09558	3.1
161.10889	2.0
161.13246	57.5
162.05527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03938	0.9
63.02352	1.9
77.03918	1.8
79.05485	10.3
89.03909	75.0
90.04249	1.5
91.05472	0.6
95.04958	4.0
98.23608	0.6
103.05459	8.8
105.04510	1.2
106.40997	0.3
107.04942	13.7
110.70753	0.4
117.03368	62.9
118.03719	1.6
121.10163	0.5
122.56750	0.4
131.04921	9.1
135.04402	100.0
136.04774	2.2
145.02838	43.7
145.03838	1.9
146.03159	1.2
163.03888	77.0
163.07515	2.9
163.11118	0.9
164.04239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.25353	0.5
55.89240	0.5
63.02380	2.1
66.45888	0.6
69.57024	2.3
76.70273	0.6
77.03923	1.9
79.05487	11.7
89.03909	82.1
90.04247	2.1
91.05511	0.9
95.04958	3.5
98.22692	0.7
105.04504	1.7
107.04253	1.1
107.04947	16.4
116.25415	0.6
117.03368	67.8
118.03722	1.2
118.21339	0.6
125.63742	0.6
135.04402	100.0
136.04733	2.3
145.02840	44.0
145.03894	2.3
146.03145	1.3
163.03886	75.7
164.04213	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
56.68226	0.6
63.02365	2.6
69.62292	2.3
69.62701	0.5
74.37835	0.6
77.03937	2.7
79.05484	11.4
89.03907	82.9
90.04237	1.7
95.04968	4.1
105.04525	2.0
107.04945	14.3
117.03365	69.1
118.03702	1.9
126.27720	0.5
135.04399	100.0
136.04744	2.2
143.72360	0.5
145.02840	40.8
145.03883	2.6
146.03210	1.3
153.59219	0.6
163.03888	79.1
164.04272	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38649	0.4
53.03939	0.5
61.65957	0.4
63.02347	2.1
65.03934	0.4
70.43528	0.9
77.03931	2.1
79.05487	12.1
89.03912	81.9
90.04241	1.8
95.04959	4.3
98.22761	0.5
105.04510	1.9
107.04249	0.9
107.04948	15.5
108.05306	0.5
117.03369	68.2
118.03738	1.4
135.04405	100.0
136.04726	3.1
138.65929	0.5
140.83801	0.4
145.02843	41.6
145.03909	2.2
146.03171	1.3
150.32364	0.5
163.03891	74.5
164.04231	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
52.79124	0.4
53.03950	0.6
54.36799	0.5
55.01859	0.6
55.05505	0.6
58.99133	0.5
63.02374	1.8
64.34271	0.5
66.57146	0.4
67.05512	0.6
69.07059	1.3
77.03918	1.8
79.05485	10.7
81.07036	1.1
83.05148	0.5
83.08616	0.6
89.03908	64.3
90.04244	1.5
91.05459	1.9
92.02621	0.6
92.74344	0.5
93.07040	2.8
95.04958	5.7
95.08577	0.8
103.05457	7.3
105.03357	1.7
105.04502	2.1
105.07050	1.1
106.06547	1.5
107.04945	14.5
107.08575	3.9
115.05428	0.7
117.03365	55.7
117.05741	1.4
117.07021	0.8
118.03720	1.6
118.26202	0.4
121.06489	0.9
121.10110	1.8
122.09705	0.5
129.68411	0.5
130.06512	3.6
130.07684	0.6
130.17834	0.5
131.04918	10.1
132.08072	3.4
133.02901	0.5
135.04401	100.0
135.11679	0.6
136.04732	2.0
145.02840	37.1
145.03911	1.9
145.10051	1.1
146.03168	0.7
153.64581	0.5
158.05956	0.6
161.72874	0.5
163.03886	75.8
163.07494	4.2
163.11079	3.6
163.12282	2.6
163.14806	1.5
164.04262	1.8
164.06976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
52.12220	0.5
53.03935	1.0
63.02370	1.6
65.74307	0.5
70.72412	0.9
77.03912	2.0
79.05487	11.9
81.07047	0.8
86.28436	0.5
89.03910	78.9
90.04253	1.8
91.05486	0.8
93.07030	1.8
95.04960	5.3
95.08560	0.8
102.57970	0.6
103.03933	0.7
103.05460	2.4
105.03395	0.7
105.04499	1.3
105.07031	1.2
107.04943	14.6
107.07335	0.6
107.08578	3.0
115.05437	0.6
117.03369	58.6
118.03690	1.7
121.10150	0.9
122.09644	0.8
130.06522	1.2
131.04918	2.8
132.08086	1.2
135.04402	100.0
135.11684	0.7
136.04742	2.3
145.02834	42.3
145.03859	1.8
145.10144	1.0
146.03183	1.2
163.03888	74.0
163.07536	1.5
163.11147	3.0
163.12384	1.2
163.14867	0.9
164.04213	2.2
174.93158	0.6
177.51140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80032	0.3
69.49308	0.9
69.49693	0.7
82.01437	1.0
82.99831	4.0
94.67720	0.4
98.23397	0.6
100.02483	0.6
101.00876	41.1
102.00947	1.4
115.35588	0.4
119.01910	100.0
120.01999	3.4
121.02346	0.5
124.02431	6.4
137.02942	21.6
138.03053	0.4
142.03488	61.0
143.03621	2.2
145.33742	0.4
160.04543	13.3
165.05049	0.4
171.12424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49255	0.4
70.49583	0.5
75.60363	0.3
80.22626	0.3
82.01427	0.8
82.99828	4.6
96.95610	0.4
100.02484	0.8
101.00869	44.9
102.00963	1.5
119.01904	100.0
120.01974	2.7
124.02424	6.9
137.02940	20.1
138.02988	0.5
142.03482	58.7
143.03581	1.9
151.86624	0.4
160.04550	12.8
165.05104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43900	0.4
57.69082	0.4
61.75928	0.4
70.00702	1.4
82.01398	0.8
82.99828	3.6
89.00368	0.5
95.04987	0.6
100.02480	1.3
101.00876	35.3
102.00951	1.3
119.01914	100.0
120.02001	3.3
120.08119	1.2
121.02322	0.6
123.04501	0.6
124.02447	5.9
137.02957	24.4
138.03108	0.7
142.03494	64.9
143.03656	2.5
160.04556	15.0
161.04791	0.5
165.10207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
50.70662	0.5
51.02370	0.5
53.03932	1.3
55.01862	1.4
55.05510	0.5
59.38770	0.4
65.03931	2.3
66.88322	0.5
67.05496	1.7
68.99781	1.5
69.03412	0.8
77.03912	0.7
79.05494	3.6
81.03410	1.0
81.07063	3.3
82.99831	0.6
91.05476	30.7
92.05811	0.9
93.07048	1.0
94.04174	1.6
95.04962	26.5
95.08594	0.7
96.05299	0.6
101.00870	8.6
103.05436	2.4
105.04507	2.2
105.07033	1.6
107.04998	1.2
109.06512	2.9
109.10179	0.8
117.06993	0.7
119.01918	46.7
119.04938	64.6
119.08566	2.7
120.01991	1.7
120.05273	1.7
120.08112	1.1
121.06527	1.0
121.10165	0.7
122.03645	2.3
122.09709	0.8
123.04424	32.9
123.08029	0.6
124.02409	1.3
133.02834	0.7
137.02968	19.3
137.04939	1.1
137.05966	16.8
137.09612	1.7
142.03493	27.1
143.03616	1.2
147.04402	100.0
147.11591	0.5
148.04759	3.4
160.04562	9.4
165.01840	1.5
165.04288	0.6
165.05510	7.7
165.06784	1.0
165.09071	1.7
165.10289	0.9
165.12727	0.9
166.04857	0.6
166.08630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	3-(3,4-dihydroxyphenyl)prop-2-enal
Peak:m/z	Relative Intensity
53.03936	1.5
55.01870	12.0
65.03934	2.3
66.04733	2.1
67.05507	2.2
68.99773	0.5
69.03404	0.5
69.25352	2.2
71.01342	1.3
73.84451	0.3
77.03923	0.9
77.74810	0.4
79.05491	11.8
81.03417	1.1
81.07053	11.9
85.51360	0.4
91.05476	19.1
94.03562	0.6
94.04182	9.6
95.04968	3.6
97.06503	0.3
101.00880	1.3
101.33677	0.4
105.03371	1.1
107.04956	2.0
109.06519	2.0
119.01913	3.7
119.04936	3.7
120.37619	0.4
122.03637	5.3
123.04439	0.4
137.05971	100.0
138.06308	2.3
142.03488	2.2
147.04388	0.7
153.87325	0.4
160.04605	0.6
165.05472	31.6
166.05846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24300	0.2
55.05498	0.4
65.03934	1.9
67.05491	0.4
69.03419	0.5
69.07067	0.3
70.94643	0.2
77.03923	0.3
77.45063	0.2
79.05485	0.8
81.07054	1.7
85.53591	0.2
91.05474	28.0
92.05798	0.6
93.07037	0.6
95.04967	1.9
95.08594	1.4
101.00870	0.8
103.05441	0.4
105.07017	0.9
107.08578	1.9
109.06508	0.8
119.01950	1.9
119.04935	53.6
119.08572	0.7
120.05231	1.1
121.10150	0.9
123.04427	1.5
123.08062	1.1
123.11710	1.1
137.02937	0.5
137.09564	0.3
137.13229	0.5
142.03462	1.3
147.04398	100.0
147.11668	0.5
148.04750	2.5
157.99182	0.2
160.04451	0.4
165.05453	0.9
165.09052	0.2
165.12766	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.27660	0.2
61.60627	0.2
65.03931	1.4
69.11655	1.7
71.99781	0.2
73.59715	0.2
89.64767	0.2
91.05473	28.9
92.05803	0.6
95.04975	1.3
95.96086	0.2
98.23411	0.6
101.00873	0.7
119.01982	1.5
119.04931	55.9
120.05245	1.8
123.04441	1.3
142.03500	0.7
147.04391	100.0
148.04721	2.6
165.05463	0.9
174.18405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.44065	0.3
57.07077	0.3
65.03921	2.0
66.14433	0.3
67.05495	0.7
69.22065	1.5
77.49663	0.2
81.07047	1.0
89.03928	0.3
89.24927	0.3
91.05470	29.0
92.05800	0.6
93.07018	0.4
95.04957	1.9
95.08608	1.0
101.00873	2.2
103.05447	0.6
105.07054	0.9
109.10142	1.9
119.01928	7.9
119.04929	56.6
120.02031	0.3
120.05234	1.3
123.04424	2.1
123.11702	0.7
133.02838	0.3
137.02911	1.2
137.05992	0.7
137.09602	0.4
142.03482	4.4
147.04393	100.0
148.04738	3.2
160.04549	0.9
165.05470	1.0
165.09116	0.5
165.12737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
67.79333	0.1
70.98763	0.1
77.03907	0.3
79.05486	1.3
91.05464	0.9
92.05782	0.3
93.07042	2.7
95.04939	0.4
103.00684	0.1
103.05458	12.5
104.05802	0.2
107.04947	2.3
118.06551	0.1
119.01916	0.3
120.02016	0.4
120.08093	100.0
121.01616	0.2
121.07628	0.2
121.08440	2.3
131.04907	2.1
143.03596	0.3
148.04758	0.5
149.05957	0.6
149.56212	0.1
166.08624	1.2
167.06995	0.3
169.47610	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	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.22800	0.2
52.55959	0.2
56.96564	0.2
60.57227	0.2
70.50319	0.3
70.80493	0.2
77.03947	0.3
79.05481	1.6
83.93030	0.2
91.05457	1.0
93.07028	2.6
95.04938	0.3
97.02870	0.2
102.00957	0.4
103.00576	0.2
103.05463	12.4
104.05827	0.3
107.04944	2.6
119.01877	0.3
120.02016	0.8
120.08096	100.0
121.01698	0.3
121.08437	2.1
131.04909	2.0
138.03023	0.3
142.03621	0.2
143.03636	0.7
149.05975	0.7
166.08582	0.9
170.81923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02371	1.6
52.03154	0.5
53.03736	0.5
53.03942	5.1
55.01870	3.1
55.05501	1.1
65.03938	16.2
67.05491	4.6
68.99774	1.8
69.03401	0.9
69.07059	1.9
70.06572	1.6
71.43493	0.5
77.03934	3.7
78.04709	6.0
79.01813	0.6
79.05044	0.7
79.05486	13.0
81.03436	3.3
81.07058	3.4
83.04971	2.1
84.96029	1.0
91.05473	8.8
93.03396	4.9
93.07037	14.2
94.04191	0.9
94.06543	0.7
95.04961	40.2
95.08583	0.9
97.02855	1.8
97.06518	1.9
98.98473	0.7
103.00625	2.2
103.05471	1.3
105.03377	0.6
105.04508	9.5
105.07056	1.1
106.04189	2.6
107.01302	0.8
107.04941	2.9
107.06060	1.2
107.08583	3.8
108.04456	1.4
109.02842	1.5
109.06507	1.5
111.04433	11.2
111.05548	0.6
111.08038	0.6
119.06055	0.7
121.01649	13.9
121.02847	14.1
121.03864	1.0
121.06487	10.9
121.07600	2.2
121.08378	0.7
121.10119	2.5
122.03643	1.5
122.05991	1.0
123.04418	12.0
123.08051	1.3
124.05234	3.2
125.02332	1.2
125.06008	0.9
126.02222	0.7
126.05505	0.6
131.05959	0.7
131.08531	0.6
131.94463	0.5
134.03589	0.7
135.04320	0.6
137.02307	0.6
137.05952	1.1
139.02696	6.1
139.03873	3.0
139.07541	1.3
140.06987	0.8
144.03204	7.8
149.02321	4.7
149.03448	1.0
149.05965	2.4
149.07074	1.7
149.09592	2.3
149.10663	0.6
150.05482	0.8
151.03860	2.6
152.04655	2.6
162.04279	3.1
167.03319	1.7
167.07016	100.0
167.08076	4.3
168.07339	2.0
189.49423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.97442	0.4
53.03950	0.9
54.50687	0.3
55.01871	0.8
55.05514	0.8
57.03434	0.4
63.34335	0.3
65.03951	0.6
67.05502	1.2
68.99804	0.4
69.03436	0.7
69.07068	1.1
75.26444	0.3
77.03925	1.0
78.04733	1.9
79.05487	15.8
81.03418	1.2
81.07052	1.6
83.04980	1.2
83.08606	0.6
84.96039	0.4
91.05485	2.6
93.07038	2.9
94.04221	0.4
95.04965	5.8
95.08618	1.4
96.05780	0.5
97.06536	0.9
98.98479	0.4
103.00608	1.0
105.04517	1.4
105.07024	1.8
106.04182	0.7
106.05367	0.3
107.04947	15.8
107.08584	4.5
108.05218	0.5
109.02864	3.0
109.06521	1.2
109.10146	0.6
111.04456	0.8
111.08032	0.9
120.06752	0.4
121.01669	4.1
121.03037	0.3
121.03987	1.0
121.06504	3.9
121.07600	1.0
121.08403	0.6
121.10146	3.7
123.04436	2.4
123.05228	0.4
123.08076	0.6
124.05205	4.2
125.05986	1.2
125.07152	0.4
125.09621	0.6
126.01102	0.4
126.05487	0.4
131.08549	0.8
135.04401	3.4
137.02335	3.3
137.05960	0.9
139.02713	1.5
139.03835	0.7
139.06497	0.4
144.03195	2.2
149.02313	1.3
149.06003	0.7
149.07031	0.9
149.09599	2.1
151.03897	31.7
152.04671	63.5
153.05049	1.7
162.04280	0.6
167.07022	100.0
167.10692	1.6
168.07399	2.4
171.23674	0.3
181.08786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02373	0.3
53.03936	1.2
53.36848	0.2
55.01863	0.8
55.05510	0.5
65.03934	9.8
66.04749	0.4
67.05509	0.6
68.99793	0.7
69.03410	2.2
69.07084	0.4
70.62912	0.4
73.38120	0.3
74.86652	0.2
76.21134	0.3
77.03934	0.7
78.04703	0.6
79.05488	13.4
81.03387	0.5
81.07050	13.5
82.68111	0.2
83.01326	0.4
83.04974	1.3
85.02862	0.3
91.05473	38.0
92.05795	0.6
93.07037	4.4
94.04177	2.5
95.04956	3.0
96.05727	0.8
97.02912	0.5
97.06527	0.5
102.99577	0.3
103.00624	0.4
105.04510	0.9
106.04147	0.3
107.04944	4.1
107.08600	0.5
109.06512	19.2
110.06847	0.4
111.04437	1.6
111.08096	1.0
119.04939	8.2
121.01653	1.8
121.02863	0.3
121.06497	5.1
122.03635	0.5
123.04431	1.2
124.05206	3.9
124.56018	0.2
133.24564	0.2
137.05965	100.0
138.06285	2.1
139.02696	0.5
139.07532	17.1
140.07854	0.5
144.03258	1.0
149.05981	0.8
149.07030	0.3
151.03848	0.3
152.04662	3.6
153.05438	0.4
155.07043	2.3
162.04240	0.3
165.05258	0.5
165.06578	5.8
167.07021	63.3
168.07372	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	Piquerol A
Peak:m/z	Relative Intensity
53.03944	2.6
53.64609	0.6
55.01615	1.1
55.01868	12.7
55.05501	6.6
56.35888	0.6
57.03434	1.1
59.05574	0.6
62.67918	0.7
65.03934	2.5
67.05500	11.7
69.03423	2.4
69.07069	2.2
69.69628	1.2
71.04988	2.1
72.65297	0.7
77.03925	2.3
78.04696	2.2
79.05486	67.7
80.05814	1.2
81.03411	0.9
81.07046	5.7
83.04971	5.3
83.08611	1.6
91.05471	28.0
91.06045	1.3
93.07034	49.1
95.04966	8.8
95.08607	2.9
97.06524	8.2
103.00626	1.2
103.05471	2.2
105.04520	1.8
105.07024	59.3
106.04185	1.2
106.07348	1.2
107.04952	5.6
107.08583	100.0
108.08924	2.3
109.06502	4.0
109.10126	1.7
111.04417	4.3
111.05606	0.7
111.08103	0.7
116.06233	1.8
119.06078	2.0
119.08556	5.3
121.01687	3.2
121.05627	0.9
121.06499	13.6
121.07478	1.0
121.10133	29.7
123.04431	3.0
123.08087	3.7
124.05212	1.2
125.06026	1.0
125.09613	0.9
129.06976	3.1
131.08557	46.9
132.08882	1.7
133.06473	1.3
134.07242	1.1
137.09596	16.2
138.09933	0.8
139.02759	1.2
139.03908	2.0
139.07520	1.3
144.03258	2.7
147.08127	0.6
149.02303	1.0
149.09604	96.0
150.05460	0.9
150.09972	3.0
151.03889	1.0
152.04675	1.1
166.63380	0.7
167.03374	0.9
167.07007	15.5
167.08205	1.3
167.10663	29.6
167.14326	0.7
168.10999	0.7
184.09433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
55.05499	17.9
55.48647	3.4
57.07066	4.9
59.04990	4.9
66.15376	2.6
67.05501	38.9
69.03415	4.7
69.07064	26.7
69.15897	9.4
69.16324	8.4
71.04987	36.6
73.06550	23.4
78.04697	10.4
79.05489	22.3
80.64965	2.5
81.07051	43.2
83.04982	4.6
83.08617	8.9
85.06533	4.4
91.05468	9.9
93.07038	43.3
93.16145	3.1
95.04964	4.0
95.08601	100.0
97.06523	5.3
105.07005	7.7
106.04144	7.0
107.08592	56.0
109.10133	29.4
111.08050	5.1
121.10132	19.8
123.04426	18.5
123.11700	8.4
124.05163	5.1
125.09634	3.4
143.96104	3.2
149.13240	27.9
151.03894	3.0
167.07019	56.2
167.14247	14.6
169.93343	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	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03955	2.9
55.01870	2.6
55.05508	86.3
56.05846	1.3
57.03436	2.9
57.07065	2.7
59.04997	9.2
61.89248	0.5
65.03930	1.1
67.05499	13.3
69.03426	22.1
69.07066	9.2
71.04986	2.2
71.41307	0.8
78.04682	0.6
79.05494	5.0
81.07051	15.1
82.07399	0.6
83.04976	100.0
83.08614	34.9
84.05315	1.5
85.06540	8.7
87.99513	0.5
91.05477	2.1
93.07032	8.7
95.04969	0.8
95.08605	6.1
97.06541	3.5
97.10169	9.8
99.08080	1.7
105.07021	2.8
107.04927	0.7
107.08583	14.1
107.09258	1.0
109.06531	0.9
109.10153	17.7
111.04425	3.0
111.08071	23.5
112.08885	7.2
113.09646	2.4
119.06087	0.6
120.86520	0.5
121.01644	2.0
121.10125	9.6
123.04460	0.8
123.08054	0.8
123.11695	7.3
125.09621	13.6
139.11188	0.7
144.03079	0.7
149.09622	1.4
149.13246	4.1
156.90941	0.7
159.56274	0.5
167.06998	2.3
167.08319	1.0
167.14302	33.9
168.14665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0656
Annotation	Myrothenone A
Peak:m/z	Relative Intensity
52.03160	0.8
65.03928	2.8
67.05501	2.3
68.05031	0.8
69.25629	0.5
70.02974	0.9
80.05013	8.1
81.69814	0.6
92.04941	0.7
94.06562	2.1
95.04966	45.5
96.05302	0.9
98.06059	2.4
107.03686	6.0
108.04472	11.6
109.05263	5.6
110.06064	2.7
112.07609	3.0
122.05119	1.3
122.06024	36.9
123.04425	100.0
124.03939	3.8
124.04776	1.9
125.04729	49.3
133.02855	1.0
135.03151	15.4
138.05486	9.8
139.06277	5.9
140.07057	46.4
141.05492	3.0
141.07376	1.0
150.05504	18.9
151.02666	0.7
152.03436	3.3
153.04201	37.0
154.04602	1.0
168.06557	71.0
169.06868	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
50.31370	0.4
53.03924	0.4
55.01854	0.4
55.05513	0.4
61.98158	0.4
63.63095	0.4
65.03934	100.0
66.04267	1.6
67.05508	1.5
71.30754	0.5
76.38873	0.4
79.05473	0.6
81.03400	1.5
82.04160	0.4
93.03395	60.2
94.03710	0.9
95.04967	2.1
95.05459	0.3
97.06489	0.6
105.19943	0.4
107.04932	0.9
108.02071	1.5
109.02853	2.4
110.03647	16.1
111.04431	99.5
112.04787	1.8
121.03964	0.5
123.04379	1.2
124.05151	1.0
125.05977	33.4
126.03093	0.4
126.06316	0.6
134.06001	1.1
136.01526	0.8
137.71069	0.4
141.05424	2.0
151.03897	22.7
151.04994	2.6
152.04176	0.6
154.02588	0.8
169.04944	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	169.0495
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
55.01875	0.7
55.05503	1.0
55.24191	0.5
56.22031	0.5
58.85718	0.5
58.96018	0.6
65.03935	91.3
66.04255	1.1
67.05503	1.9
67.81763	0.4
69.03423	1.2
71.20808	0.9
79.05478	1.1
81.03421	2.2
81.07049	1.2
83.04965	1.9
83.08616	0.6
83.65533	0.5
83.92094	0.5
84.05306	1.0
84.54477	0.5
88.58914	0.5
93.03397	59.4
95.04958	8.7
97.06533	0.7
105.04520	0.5
107.08592	0.9
108.02092	1.8
109.02843	1.8
109.03964	0.6
109.10136	0.8
110.03647	16.2
111.04433	100.0
111.60110	0.5
112.04779	2.0
122.09212	0.6
123.04417	15.6
125.05978	31.4
126.03123	6.9
134.05945	0.7
139.03859	7.6
141.05452	4.5
141.07057	0.7
151.03897	20.5
151.05009	2.4
153.01843	2.1
154.02577	3.2
159.24451	0.5
169.04964	13.3
169.07562	1.6
170.49706	0.6
183.74219	0.7
184.84515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
55.01852	0.5
55.05501	0.6
57.03420	0.5
63.02364	0.7
65.03935	79.5
66.04267	1.0
67.05502	2.6
71.04984	0.8
71.05975	0.5
79.05489	1.6
81.03423	1.5
81.07054	3.5
82.93852	0.5
83.04974	0.6
91.05475	1.5
93.03394	35.4
95.04951	3.0
95.08590	1.4
105.04471	0.8
105.07024	0.9
107.04957	1.0
107.08624	0.6
108.02089	1.1
109.02876	1.6
109.06503	2.1
109.10120	1.5
110.03655	13.0
111.04433	100.0
111.08060	2.0
112.04781	1.8
113.99191	0.8
121.03963	1.0
123.04414	3.0
123.08051	2.0
123.48028	0.5
123.64050	0.5
125.05979	27.5
126.03102	1.1
127.07507	0.6
127.11203	0.8
128.00743	0.6
134.05965	0.7
139.03920	0.7
141.00220	0.7
141.05438	2.8
141.06966	1.5
151.03902	18.5
151.05005	1.8
151.07489	0.8
151.08661	0.8
151.11160	0.8
152.04283	0.5
154.02718	0.6
169.04933	6.4
169.06432	1.6
169.07648	4.0
169.09967	0.8
169.12163	0.6
170.05943	0.8
187.55302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
64.82005	0.3
68.99783	2.6
70.78818	0.5
77.95618	0.3
80.02631	0.4
80.68482	0.3
81.03410	0.7
87.99816	0.3
94.17643	0.3
97.02897	0.8
98.03661	3.1
99.04472	0.4
109.02870	1.3
111.00792	25.4
126.03123	29.1
127.03480	0.4
135.97401	0.4
135.98380	0.4
141.05449	100.0
142.05779	2.2
169.04945	46.0
170.05312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.00325	0.8
55.01873	1.0
55.05507	2.6
65.03936	6.4
67.05508	3.1
67.30937	0.6
68.99771	0.7
69.03417	2.3
69.23157	3.7
71.01350	1.9
71.04996	1.4
79.05479	2.3
80.79750	0.6
81.03432	0.8
81.07053	2.7
83.04980	4.4
83.08627	1.6
85.94592	0.7
86.06013	0.6
89.26608	0.6
91.05499	0.9
93.03391	2.9
95.04960	37.7
96.05332	0.8
97.02856	0.8
97.10150	1.7
99.04457	1.0
107.08589	1.3
108.02070	1.4
109.02867	1.5
109.06531	1.2
109.10150	1.2
110.03639	1.3
111.00803	2.0
111.04448	8.5
121.02884	1.0
123.00792	1.5
123.04424	100.0
123.11622	0.8
124.04768	2.3
125.06026	0.9
125.09589	1.4
126.03127	47.4
139.03888	55.2
140.04214	1.3
141.05453	27.6
151.08644	0.8
153.01791	7.8
154.02603	20.5
163.97647	1.7
167.03395	1.0
169.04953	64.4
169.07486	2.8
170.05313	1.5
170.09653	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03951	0.5
55.01884	0.5
59.01384	0.3
60.40860	0.3
65.03951	0.5
68.94656	0.3
68.99774	2.7
70.79405	0.5
80.02613	0.4
81.03406	0.5
81.62333	0.3
85.02891	0.3
91.18165	0.3
97.02887	1.0
98.03665	2.3
109.02854	0.7
111.00794	26.7
111.04413	0.4
113.05994	0.4
126.03123	30.8
141.05450	100.0
142.05801	2.8
151.04999	0.4
169.01785	0.9
169.04945	41.0
169.07442	1.0
170.05255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	DHMAL
Peak:m/z	Relative Intensity
51.98271	0.2
53.03939	0.9
55.05505	0.7
65.03938	1.9
66.06505	0.2
67.05486	0.8
68.02650	0.7
68.99777	0.9
69.03419	0.5
69.29552	1.0
71.04986	0.4
72.90200	0.3
74.60216	0.2
79.01829	0.2
80.02640	0.6
81.03427	1.9
81.07064	1.2
83.04966	0.7
85.02879	0.4
85.06509	0.3
85.94606	0.3
88.16070	0.3
93.03397	0.4
93.07041	0.3
95.04961	7.0
97.06512	0.2
98.03664	1.4
98.22691	0.6
99.04460	0.5
101.22077	0.2
107.08598	0.5
108.02078	0.3
109.02869	13.8
109.06519	0.9
109.10146	0.7
110.06064	0.3
111.00805	1.2
111.04439	3.9
113.05989	0.7
123.04420	7.7
123.08047	0.7
123.11676	0.3
125.02342	0.4
125.06014	0.5
126.03120	31.6
127.03416	0.3
137.02373	1.2
139.03873	2.4
141.05450	100.0
142.05789	1.7
151.03860	0.5
151.08627	0.7
153.01805	0.4
154.02576	1.1
155.03366	1.2
163.97696	0.4
169.04950	24.8
169.07520	1.2
169.09950	0.5
170.05310	0.5
170.08159	0.3
170.09602	0.4
187.16173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47401	5.4
114.77408	5.7
124.03682	13.7
151.04776	100.0
151.79872	6.4
152.03157	30.1
169.05827	11.9
172.28528	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	170.06
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14227	0.4
56.96546	1.0
57.94976	0.4
60.27777	0.4
61.05571	0.4
61.25656	0.3
64.31962	0.4
66.38492	0.4
72.04498	0.9
79.19640	0.5
88.95277	0.6
89.07124	0.5
92.05003	0.8
93.05776	1.1
95.28979	0.4
99.15766	0.4
110.06006	0.4
110.07175	0.4
115.05445	44.8
116.05000	0.8
116.05784	1.3
124.07616	0.7
128.95062	0.4
131.25610	0.4
131.26604	0.5
134.06041	0.6
140.04903	0.4
142.06511	30.8
143.06870	1.1
152.07080	1.0
157.50211	0.4
160.07547	0.7
170.05994	100.0
170.09663	3.0
171.05391	1.5
171.06372	2.3
171.14899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91449	0.3
55.01859	1.1
55.05513	1.4
55.93514	0.4
56.96560	0.4
57.07079	1.9
69.95033	0.6
69.95399	0.6
72.04510	3.2
83.08617	0.9
84.04439	0.3
86.06071	1.0
86.09701	100.0
87.10031	1.4
89.07169	2.2
92.05020	0.3
93.05791	0.7
97.10178	0.5
98.23372	0.6
116.10729	1.1
124.07582	0.4
128.10710	20.7
128.95084	0.8
142.12236	0.5
146.96078	0.5
170.09561	1.9
170.11757	3.2
170.15421	0.6
171.14890	1.8
181.19633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0651
Annotation	2,6-Dimethoxyhydroquinone
Peak:m/z	Relative Intensity
53.03933	0.9
55.01862	1.0
55.05507	23.4
57.03425	3.2
59.04984	0.6
61.02914	1.4
65.03926	1.0
67.05493	4.2
69.03436	0.5
71.01350	1.1
71.05000	0.6
72.04511	4.6
79.05476	0.5
83.04974	82.2
83.08605	2.0
84.05293	1.6
85.02896	100.0
86.03237	1.1
87.00836	0.8
87.04474	2.4
89.07155	3.6
95.58418	0.5
97.10186	0.8
99.04462	0.8
101.06019	0.9
105.34244	0.5
111.04436	22.6
116.38004	0.6
127.03893	0.7
128.06192	1.6
129.05470	7.7
129.06975	0.9
141.06989	0.9
143.08557	2.8
149.17650	0.6
150.48048	0.5
156.09302	2.9
171.06514	30.3
171.11601	2.6
171.14911	1.9
172.06870	0.9
180.42378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0651
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.01854	2.0
55.05500	4.7
56.96559	3.3
58.22650	0.4
61.23877	0.4
65.03934	25.5
66.04240	0.4
67.05504	1.8
68.99783	9.1
69.03420	1.1
69.07069	0.4
69.44252	0.9
69.44641	0.6
70.94254	1.4
70.98120	0.5
71.04978	0.8
72.04507	8.4
79.01859	0.5
81.03412	3.9
83.01333	0.7
83.04974	11.3
83.08617	2.0
85.02900	0.6
88.95300	1.8
89.07144	6.6
93.03395	7.2
95.04958	0.8
96.02103	1.0
97.02880	1.4
97.06516	0.4
98.97569	4.6
106.96281	0.5
109.02865	0.5
110.03644	0.5
111.04429	91.4
112.04756	1.5
113.02343	0.5
116.98609	3.9
121.02878	1.7
121.03969	12.5
122.04340	0.4
128.98587	1.1
129.10284	0.6
134.99654	3.4
139.03882	100.0
140.04210	2.1
146.99597	0.6
147.96684	0.5
153.00676	0.8
153.01807	0.6
165.97672	0.8
171.06468	5.5
171.07719	0.6
171.09923	0.6
171.14926	3.9
193.00024	0.6
194.79150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01899	0.2
55.01853	0.4
55.05512	1.3
57.03424	0.4
57.07056	0.3
65.03916	0.3
67.05495	1.1
68.05013	0.4
68.99774	0.2
69.07040	0.5
71.04986	3.3
72.04508	3.0
72.05286	0.2
72.08134	0.6
76.01884	0.2
78.03435	0.5
79.05489	1.5
81.07053	0.8
83.04975	1.0
83.08612	0.7
85.02905	0.9
85.06532	0.6
87.04442	0.3
89.07143	1.9
90.03430	0.6
91.05476	1.1
93.04497	0.5
93.07029	2.0
94.02931	0.4
95.04952	0.3
95.08580	0.4
97.04053	0.2
97.06516	0.5
103.02954	1.2
105.07054	0.3
107.08590	1.2
109.06547	0.3
109.10133	0.6
111.04457	0.9
111.05531	0.4
111.08057	0.2
115.05417	0.3
115.70964	0.2
117.04485	2.7
118.03928	0.2
120.05566	0.5
121.03983	1.8
128.06194	0.4
129.05402	0.3
130.04012	1.2
131.04767	0.4
135.05530	2.5
135.08038	0.4
135.11661	0.4
141.06973	0.2
143.04874	0.4
143.08528	0.8
144.05548	14.3
145.05061	0.7
148.05035	5.0
148.06219	0.3
156.09338	1.7
162.06599	1.2
171.06635	100.0
171.11447	1.2
171.14926	1.5
172.07277	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	172.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.6
55.18285	3.6
56.36011	3.4
56.96561	40.0
57.03426	3.8
61.72610	3.5
63.71250	3.4
70.06575	7.4
70.98100	6.7
71.60728	3.7
72.04508	4.8
72.08139	6.9
83.04981	5.3
89.07121	4.1
98.97576	100.0
100.02456	8.9
101.00864	8.2
101.05988	4.2
111.04422	9.2
114.09139	4.5
115.02386	4.4
116.98614	66.6
118.03458	7.2
119.01907	31.7
130.03520	4.6
130.52728	3.7
131.01904	7.9
134.99637	29.7
137.02945	6.7
138.95364	4.4
139.08656	10.5
144.05116	4.3
147.22612	4.3
153.00656	5.1
154.03503	4.8
160.77477	4.3
163.25682	3.6
168.15392	3.5
171.11250	4.6
172.02779	9.1
172.04480	6.6
172.09758	4.9
172.13377	8.9
173.08206	8.3
174.74527	4.1
187.00215	10.9
190.03877	9.3
190.05614	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	173.0961
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03938	1.2
55.01869	1.1
55.05503	14.5
56.97912	1.1
57.03430	1.3
59.04994	2.3
65.03920	2.3
67.05495	5.8
69.03395	1.1
70.58611	1.1
70.60859	2.1
71.06087	1.0
72.93778	4.2
76.02210	1.8
79.05483	2.7
81.04517	1.3
82.40051	1.1
83.04973	13.7
90.90360	7.6
90.94820	4.1
91.05474	37.0
93.07028	1.4
95.04927	2.2
95.06082	2.9
101.05986	10.9
103.03281	4.3
103.05467	5.2
105.07018	33.7
111.04435	14.2
115.05454	17.7
116.06223	4.6
117.07008	73.1
118.06507	2.2
118.07333	1.2
119.04910	5.2
121.18017	1.2
127.07568	1.5
128.06194	10.4
129.05521	6.5
129.06990	32.2
130.06717	1.6
130.07782	26.4
131.04895	3.5
131.08562	27.5
131.92958	1.4
132.05627	2.5
133.06454	2.6
143.08517	12.4
144.05643	2.3
144.09300	2.2
145.06470	10.3
145.07582	2.5
145.10106	65.7
146.10442	1.3
149.94014	7.1
149.96082	1.7
153.06987	6.6
154.07768	4.3
155.05969	2.7
155.07039	8.6
155.08527	27.5
156.04465	1.6
157.06465	2.0
158.06009	2.0
158.07248	23.5
158.10823	2.8
167.97121	2.4
171.08102	1.3
173.08188	14.8
173.09598	100.0
173.13191	10.0
174.10004	3.8
174.12820	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.096
Annotation	Palutropone
Peak:m/z	Relative Intensity
50.48380	0.9
53.03931	1.9
53.82606	1.0
55.01850	1.4
55.05507	13.2
59.04996	2.8
65.03928	5.5
67.05499	12.0
69.67380	3.3
71.19931	1.0
72.04511	1.4
72.93773	3.7
76.02197	1.9
79.05484	1.8
79.13521	1.0
81.04542	1.5
83.04980	11.4
89.02394	1.2
90.90375	3.7
90.94819	3.4
91.05471	55.4
93.07030	3.8
95.04957	2.7
95.06069	1.8
98.22724	1.1
101.06022	10.2
103.03294	2.7
103.05461	5.5
105.03379	0.9
105.04466	0.9
105.07021	37.7
108.95869	1.2
111.04433	10.8
112.06429	1.1
113.06000	1.4
115.05446	20.5
116.06226	6.3
117.07007	100.0
118.06529	2.0
118.07298	1.9
119.04931	9.5
119.08558	3.0
121.06517	2.1
127.07506	2.2
128.06209	12.5
129.05536	6.2
129.06995	30.4
130.06606	1.5
130.07784	29.0
131.04933	1.3
131.05989	1.1
131.08556	39.9
133.06396	1.1
141.07013	1.1
143.08545	15.4
144.05789	1.1
144.09317	4.3
145.06456	7.6
145.07613	3.3
145.10106	62.5
146.06049	1.3
146.10368	1.5
149.94069	3.9
153.07001	6.7
154.07758	3.9
155.05988	1.9
155.07047	8.9
155.08528	22.8
157.06474	2.0
158.07257	17.1
158.10924	4.6
167.97133	1.2
173.08186	13.4
173.09605	72.0
173.13220	17.7
174.05434	1.3
174.07596	1.2
174.09937	2.0
174.12741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.096
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03920	2.5
55.01851	1.1
55.05511	8.9
57.03433	1.0
59.04989	1.8
65.03938	5.2
67.05501	12.4
67.99116	0.8
70.48548	1.6
72.93779	2.3
76.02196	1.4
77.03936	0.8
77.92606	0.8
79.05479	3.2
81.07038	1.2
83.04982	9.0
87.04465	1.2
89.02393	1.1
90.90386	5.3
90.94815	2.1
91.05471	56.6
92.05803	1.1
93.07047	4.0
95.04963	1.7
95.06080	1.0
101.06021	7.2
103.03266	2.8
103.05448	5.8
105.04569	0.9
105.07018	34.8
108.95863	1.0
109.07592	1.5
111.04424	7.4
113.05958	0.9
115.05441	21.2
116.06264	7.7
117.07005	100.0
118.06559	1.6
118.07354	2.3
119.04914	7.9
119.08543	1.8
119.91187	0.8
121.06464	1.4
128.06206	13.0
129.05440	3.4
129.06987	28.5
130.07780	29.5
131.04919	2.1
131.08559	50.8
131.92955	1.9
132.05716	1.2
133.06401	1.9
137.07085	1.0
143.08554	14.9
144.05670	1.7
144.09323	4.4
145.06502	9.8
145.07635	2.1
145.10110	67.4
146.10446	1.2
149.94032	6.3
153.07001	6.3
154.07791	2.3
155.06003	1.9
155.07039	5.5
155.08525	22.8
157.06415	1.3
158.07251	19.6
158.10912	6.4
171.07930	0.9
173.08269	8.4
173.09610	91.9
173.13223	30.8
174.09949	2.3
183.09229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.05512	18.8
59.04999	4.1
61.42140	1.1
65.03941	5.3
67.05501	11.9
67.12818	1.2
69.43914	3.2
69.44303	2.4
72.04523	1.2
72.63029	1.3
72.93786	8.9
76.02217	2.1
76.77291	1.2
79.05497	4.5
83.04516	2.4
83.04972	20.9
89.02382	1.8
90.90390	6.0
90.94817	6.5
91.05474	53.3
93.07035	2.1
95.04965	1.6
95.06096	2.1
101.06020	13.8
103.03275	3.1
103.05465	5.7
105.07021	35.3
108.95866	2.1
111.04428	21.9
113.05977	2.8
113.96423	1.8
115.05441	21.3
116.06207	6.5
117.07009	100.0
118.07397	3.7
119.04932	8.5
121.06525	2.4
127.07592	4.2
128.06224	11.6
129.05525	9.4
129.06998	24.7
130.07780	23.9
131.04930	3.4
131.08559	25.4
131.93010	1.6
132.05640	1.3
133.06470	2.0
143.08551	11.7
144.09343	4.0
145.06462	11.9
145.10112	53.1
146.10486	2.4
149.94080	6.2
149.96043	2.7
153.06984	8.7
154.07814	1.9
155.05983	2.1
155.07051	14.9
155.08554	23.7
157.06458	2.5
158.07248	17.1
158.10921	1.7
160.74094	1.2
167.97160	3.1
172.16936	2.0
173.08179	23.3
173.09631	79.5
173.13210	12.3
174.09946	2.7
174.12805	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0961
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03933	1.7
55.01865	1.4
55.05510	14.1
59.04990	2.4
65.03928	3.6
67.05497	10.5
69.89496	3.2
69.89836	1.1
72.93772	4.3
76.02215	2.0
79.05466	2.6
81.03457	1.2
81.07037	1.5
83.04974	13.1
87.04443	1.3
88.50078	0.9
89.02381	1.1
90.90358	2.0
90.94815	3.5
91.05478	45.4
93.07027	2.4
94.07350	0.9
95.04957	2.5
95.06066	1.5
98.22765	1.3
101.06010	8.6
103.03279	2.7
103.05439	5.3
105.07024	37.8
106.73306	0.8
108.95812	1.8
111.04442	15.0
113.06024	1.5
115.05455	18.8
116.06275	6.7
117.07015	84.1
118.06543	1.6
118.07336	2.5
119.04955	5.8
119.77800	0.9
127.07574	1.7
128.04918	0.9
128.05273	1.2
128.06221	14.4
129.05559	7.3
129.07001	31.4
130.07794	31.2
131.04890	3.6
131.08569	32.3
132.05696	1.6
132.08980	1.0
133.06512	2.4
143.08571	14.4
144.05688	3.6
144.09299	2.0
145.06509	11.3
145.07642	2.2
145.10121	86.5
146.05968	1.3
146.10458	1.4
149.94019	1.5
152.06200	1.3
153.06989	9.4
154.07719	4.0
155.05966	2.6
155.07033	8.7
155.08524	36.7
156.08871	2.1
157.06439	1.4
158.07274	28.9
158.10915	3.1
172.16878	1.5
173.08180	15.6
173.09605	100.0
173.13184	11.7
174.09995	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.096
Annotation	Palutropone
Peak:m/z	Relative Intensity
55.01857	1.2
55.05508	6.3
57.03424	1.2
59.04996	1.8
62.30825	0.8
65.03934	4.7
67.05503	9.9
70.64954	1.5
72.93750	1.3
76.02186	0.9
79.05486	2.7
83.04984	6.1
91.05473	50.0
93.07034	3.5
95.04944	2.1
101.06017	5.4
103.03319	1.0
103.05455	5.3
105.07020	39.0
111.04439	8.7
115.05447	21.0
116.06247	5.6
117.07008	99.2
118.07284	1.5
119.04938	7.3
119.08574	1.0
121.06507	2.0
127.07601	1.1
128.06213	12.8
128.49153	0.9
129.05434	2.7
129.06993	29.2
130.07784	28.3
131.04924	3.6
131.08566	24.6
132.05688	1.1
133.06516	2.0
143.08557	12.6
144.05687	2.4
144.09361	2.2
145.06465	10.4
145.10114	65.1
146.10406	1.7
153.06979	6.9
154.07736	2.3
155.05948	1.9
155.07062	4.3
155.08516	23.9
156.08792	1.2
157.06502	1.2
158.07254	23.9
158.10884	1.8
172.16974	1.1
173.08278	6.8
173.09610	100.0
173.13147	4.3
174.09950	3.2
193.32063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25674	0.7
52.70329	0.6
53.03932	1.3
55.05502	3.3
57.65310	0.6
59.04988	0.7
59.66309	0.6
65.03925	2.0
66.64351	0.6
67.05497	6.0
69.11087	4.3
72.93772	1.4
79.05485	2.6
81.03418	0.7
83.04973	3.4
90.90374	1.3
90.94813	0.9
91.05473	26.3
93.07030	1.5
95.04934	2.0
101.05997	1.9
103.03271	1.1
103.05476	3.3
105.07018	36.8
106.07329	0.7
108.95837	0.8
111.04457	4.8
111.89255	0.6
115.05440	13.9
116.06249	4.2
117.07007	49.0
118.07300	1.5
119.04920	2.9
119.08548	1.6
121.06472	1.1
127.05404	0.8
128.06218	8.2
128.07085	1.1
129.05508	1.3
129.06992	20.5
130.07777	27.5
131.04895	2.3
131.08562	19.0
132.05653	0.7
133.06444	0.9
140.06229	0.8
143.08548	9.8
144.05670	1.3
144.09349	3.3
145.06473	7.0
145.10109	80.5
146.10446	1.8
149.96075	0.9
153.06969	5.6
154.07774	1.9
155.05966	1.6
155.07072	2.7
155.08524	25.6
156.09006	1.3
157.06471	3.8
158.07253	49.0
158.10892	2.1
159.07680	1.2
171.07976	1.2
172.08762	1.0
173.08395	3.8
173.09605	100.0
173.13159	8.7
174.09970	2.8
183.09073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.096
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03939	0.9
55.05512	9.8
57.03428	0.6
57.07072	4.2
59.04984	1.9
60.88906	0.6
63.52722	0.6
65.03944	1.2
67.05520	3.3
69.03413	1.1
71.41021	0.7
71.65021	0.6
72.93782	3.0
74.09703	1.4
77.03921	0.8
79.05479	1.5
81.03421	0.7
81.07047	1.0
83.04980	10.8
85.06498	0.7
87.04411	0.9
87.32907	0.6
89.02377	0.9
90.90378	1.1
90.94815	3.7
91.05476	27.5
92.05801	0.8
93.07092	0.6
95.04974	1.2
101.06015	8.6
103.03306	0.7
103.05483	3.5
105.07030	29.9
107.04884	0.6
111.04442	13.9
113.05988	1.1
115.05453	10.9
116.06237	4.2
117.07014	47.8
117.10235	0.7
118.07332	1.0
119.04910	1.3
127.05432	0.7
127.07555	1.2
128.06216	8.6
129.05518	5.0
129.06995	18.7
130.07793	24.2
130.15918	4.5
131.04941	4.4
131.08569	21.5
133.06448	0.9
143.08549	12.5
144.05675	3.1
144.09312	2.1
145.06479	9.4
145.10118	52.7
146.10428	1.2
149.94019	1.5
150.96841	0.7
153.06967	4.3
154.07741	1.7
155.05995	1.0
155.07036	9.1
155.08531	20.3
157.06456	2.4
158.07262	25.7
158.10896	1.4
167.95145	0.7
167.97101	0.9
173.08151	12.6
173.09604	100.0
173.13168	8.3
173.16490	2.1
174.09959	2.7
174.12761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0961
Annotation	Palutropone
Peak:m/z	Relative Intensity
52.93890	0.8
53.03930	1.7
55.01880	1.0
55.05503	6.1
57.03434	1.9
57.07050	0.9
65.03912	1.5
67.05496	4.7
69.07033	1.3
70.48164	1.5
72.93787	1.6
79.05470	3.0
81.03415	1.5
81.07037	1.9
83.04964	5.3
90.94822	1.4
91.05470	32.0
93.07042	1.5
95.04942	2.4
101.06005	2.8
102.02934	0.9
102.09160	1.6
103.05421	4.3
105.07018	28.8
111.04433	4.9
115.05431	13.3
116.06289	5.3
117.07006	52.5
119.04916	2.6
119.08575	2.4
128.06194	10.8
129.06993	27.8
130.07791	24.9
131.04910	3.6
131.08557	44.2
132.08858	1.0
133.06458	2.0
140.07167	1.0
143.08556	11.4
144.05681	3.9
144.09300	3.7
145.06471	8.9
145.10114	67.8
146.10445	2.0
153.06993	8.4
154.07739	4.5
155.05954	2.6
155.07074	2.9
155.08533	31.8
157.06415	1.9
158.06012	1.4
158.07257	20.1
158.10910	2.0
172.16933	2.6
173.08272	4.4
173.09599	100.0
173.13222	19.5
174.09944	3.8
174.13782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0961
Annotation	Palutropone
Peak:m/z	Relative Intensity
55.01868	1.6
55.05254	2.6
55.05509	35.3
57.03435	2.2
59.04984	6.6
65.03931	2.5
65.31792	1.4
67.05513	7.4
69.03445	1.6
71.40959	1.6
72.93777	12.2
76.02225	3.0
76.73677	1.5
79.05487	3.7
81.07045	2.4
83.04977	34.0
85.06538	1.4
86.06080	1.3
87.04444	2.4
89.02395	1.8
89.07127	1.5
90.90376	8.2
90.94828	11.2
91.05473	38.0
93.07056	3.6
95.04974	3.3
98.93900	1.4
100.07549	1.6
101.06013	25.7
103.03285	5.8
103.05456	3.9
104.59935	1.3
105.07021	33.0
107.95161	1.7
108.95840	3.1
111.04431	35.4
113.06005	3.3
115.05445	18.6
116.06241	8.1
117.07014	62.8
118.06579	1.6
119.04958	1.7
119.08578	3.4
127.07575	4.8
128.06198	14.7
129.05536	11.1
129.06999	38.4
130.07782	24.1
131.04959	3.5
131.08560	63.5
132.05701	2.0
133.06532	2.0
134.35703	1.4
137.05939	2.1
137.07111	1.5
143.08569	13.9
144.05701	3.1
144.09328	6.3
144.37138	1.6
145.06482	11.5
145.10114	81.6
145.14700	1.6
146.10468	1.9
149.94016	6.6
149.96065	3.1
150.96912	1.8
153.06969	11.0
154.07785	5.5
155.05984	2.4
155.07033	21.7
155.08548	37.3
156.09006	1.5
157.06493	2.2
158.07259	23.6
158.10875	2.2
167.97156	4.1
173.08154	35.4
173.09627	100.0
173.13248	28.2
174.09975	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	173.0962
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03936	1.5
55.05256	1.1
55.05506	17.4
59.04985	3.0
60.59101	0.8
62.39204	0.7
64.06066	0.7
64.35298	0.6
67.05483	2.6
69.03422	0.8
69.12727	4.4
70.95850	1.3
72.93765	3.3
73.88326	0.6
76.02197	0.8
79.05482	2.6
83.04978	17.6
87.04448	1.7
89.02366	1.7
90.94810	2.4
91.05476	10.6
95.04953	0.8
101.05352	0.9
101.06007	13.8
103.03281	1.1
103.05508	1.5
105.07024	33.5
111.04434	20.1
111.98450	1.3
113.05985	1.5
113.96400	0.7
115.05446	9.1
116.06252	1.5
117.07009	19.1
119.08548	3.1
127.05420	1.4
127.07511	0.9
128.06177	5.2
129.05486	7.7
129.06978	10.3
129.99496	0.7
130.07780	23.4
131.04932	1.9
131.07669	1.2
131.08562	18.0
131.96124	2.1
131.97421	0.7
132.95811	2.6
143.08571	12.8
144.05701	3.5
144.09264	1.7
144.79620	0.7
145.06491	10.6
145.07616	1.6
145.10118	53.0
146.10417	1.6
149.97192	2.2
150.96867	3.2
153.06937	3.9
154.07707	1.4
155.05959	2.5
155.07018	11.9
155.08519	16.2
157.06448	1.9
158.07263	35.0
158.10899	7.5
159.07603	1.0
163.11212	0.9
173.05817	1.7
173.08115	18.1
173.09587	100.0
173.13217	19.0
174.09914	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	173.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32961	2.6
53.03936	3.8
55.05510	98.1
57.03416	5.0
59.05002	20.4
67.05502	96.7
67.32726	2.6
69.03417	3.7
70.85271	5.1
71.06116	3.5
72.04470	2.6
72.93785	31.2
76.02169	3.7
79.92827	2.9
80.81133	2.4
81.07044	15.0
83.04980	88.7
83.08601	4.9
85.06538	5.5
86.09684	7.3
87.04458	5.1
89.02364	5.8
90.90369	9.7
90.94826	23.8
91.05468	8.2
95.06052	4.0
99.04449	3.7
101.06017	63.5
103.03270	9.1
105.07015	3.8
108.95856	5.8
109.08965	2.6
109.10155	54.8
110.10458	2.6
111.04441	100.0
111.98447	3.9
113.05968	9.0
117.07011	4.2
119.08536	5.8
120.45323	2.6
127.07528	10.5
129.05461	47.6
131.08578	12.8
131.97348	3.6
132.06540	4.5
132.95798	5.0
145.06471	5.5
145.10074	4.3
149.46153	2.9
149.93987	10.4
149.96072	7.5
149.97218	4.9
149.98459	5.2
150.96843	10.9
155.05862	4.5
155.07022	66.3
158.10838	3.9
167.97119	5.7
173.08115	96.4
173.11755	6.0
173.13260	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	173.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	49.9
57.03434	3.4
57.07058	2.0
59.05000	14.5
65.03943	1.4
67.05502	100.0
68.05828	1.8
69.03445	1.8
70.95846	2.1
71.04989	2.5
71.06086	1.3
71.22217	1.5
72.93777	10.6
73.02901	1.4
76.02216	1.9
79.05490	1.7
81.07053	12.6
81.30610	1.2
83.04978	37.2
83.08604	9.9
85.06555	3.7
87.04466	4.3
89.02395	3.5
90.90372	3.4
90.94823	11.0
91.05507	5.8
91.05992	1.2
93.07050	2.1
93.69302	1.2
95.06083	1.8
95.08600	3.1
99.04470	1.4
101.06017	28.7
103.03284	4.1
107.08571	2.1
108.95866	2.8
109.10149	62.5
110.10522	1.6
111.04436	40.3
111.05171	2.5
111.08102	1.4
113.06011	4.3
117.07066	1.6
119.08588	2.3
119.65116	1.4
127.07554	5.0
129.05469	16.0
129.99449	1.1
131.08574	3.0
131.97411	2.1
137.05946	1.3
145.07553	1.4
149.94044	4.6
149.96092	2.8
149.97189	1.3
150.96922	2.8
155.07031	27.9
167.97093	2.4
173.08133	38.1
173.11714	4.5
173.13303	3.3
174.05450	1.9
174.12909	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33229	0.5
55.05507	4.9
56.74535	0.5
57.07073	1.0
58.02121	0.5
59.05000	1.5
67.05505	1.5
72.93777	1.6
75.79703	0.6
75.85287	0.6
76.02216	0.7
79.05471	0.7
81.07049	1.4
83.04984	4.5
85.13264	0.5
90.90379	2.4
90.94826	1.4
91.05475	13.0
101.06009	2.6
101.57738	0.5
103.03252	1.0
105.07023	9.1
108.95851	0.7
111.04432	4.8
115.05445	1.8
116.06217	3.0
117.07024	6.8
119.08554	7.4
127.07534	0.7
128.06221	1.2
129.05486	1.5
129.06978	8.1
130.07750	2.0
131.08557	100.0
132.08900	2.9
133.10150	2.0
137.07066	0.7
142.07726	1.1
143.08559	12.7
143.76566	0.6
144.09364	6.1
145.10110	19.8
146.10512	0.9
149.94037	1.6
155.07031	2.3
155.08485	0.8
156.09302	1.5
157.10094	1.0
158.07280	0.8
158.10909	21.5
171.11668	1.7
173.08310	4.4
173.09659	2.4
173.13243	73.9
174.13571	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.02398	0.5
55.05501	2.4
57.07075	1.0
59.04980	0.7
65.03922	1.0
67.05490	1.6
79.05484	1.3
81.07047	1.7
83.04952	2.8
90.17149	0.6
90.94825	0.6
91.05470	12.1
93.07044	1.5
94.14079	0.5
101.06003	1.7
103.03284	0.6
103.05468	0.6
105.07023	7.5
107.08598	0.6
111.04434	3.1
112.87331	0.6
114.14703	0.5
115.05432	1.7
116.06228	2.2
117.07011	7.2
119.08572	6.6
128.06229	0.7
129.05470	0.6
129.06985	7.3
130.07771	2.4
131.08556	100.0
132.08896	2.4
133.10042	0.7
143.08543	10.7
144.09331	4.0
145.10114	20.7
155.07030	2.1
157.10106	1.1
158.10904	15.6
171.11703	1.8
173.08319	2.9
173.13243	83.2
173.30774	0.5
174.13667	2.5
177.04109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.59599	0.8
53.03951	0.6
55.05509	4.6
59.04997	0.9
60.46691	0.6
61.87810	0.6
62.32881	0.6
67.05505	3.1
69.29162	3.7
72.93784	2.9
76.02231	1.6
79.05479	3.2
81.04539	1.0
81.07045	7.3
81.82460	0.8
83.04974	4.4
90.90372	24.8
90.94828	2.4
91.05470	15.8
93.07041	7.4
95.04964	1.0
95.06091	1.3
101.06017	2.5
103.03267	1.6
103.05454	0.9
105.07016	21.2
107.08569	0.8
108.91412	2.6
111.04427	4.2
114.67728	0.6
115.05447	1.6
116.06223	3.1
117.07016	10.2
118.06590	1.0
119.08577	10.8
128.06168	1.2
129.05521	3.3
129.07002	9.6
130.06529	1.2
130.07779	4.2
131.08553	99.2
131.92964	6.6
131.97404	0.8
132.08899	2.8
133.10158	1.7
142.07790	1.2
143.08540	15.0
143.09622	1.2
144.09340	7.8
145.07632	2.5
145.10109	67.9
146.06067	0.8
146.10458	2.2
149.94028	19.1
149.95874	0.8
155.05885	0.7
155.07040	3.2
155.08192	0.8
156.09323	1.2
158.09621	1.3
158.10910	21.8
167.95091	2.5
171.11589	1.3
172.95648	2.3
173.07082	2.0
173.08374	5.0
173.13246	100.0
174.13556	2.8
176.63097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1489
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
55.01858	3.0
55.05260	1.3
55.05508	19.5
55.74591	0.8
55.93512	1.5
56.05022	1.1
56.05818	1.6
57.03426	2.2
57.07061	2.3
59.05001	1.3
66.19579	0.7
67.05496	5.4
69.07063	37.0
70.06583	1.3
70.65047	0.7
70.95856	20.7
72.93784	16.0
73.93815	1.4
77.33586	0.6
79.05482	7.7
79.77213	0.7
81.07052	7.5
83.04967	5.1
83.08548	1.0
84.05302	2.4
86.06059	0.9
88.96891	3.1
90.94831	4.2
91.05473	1.9
93.07038	13.9
95.08609	9.0
97.06524	6.9
97.10160	12.9
98.98457	18.1
101.05978	1.2
102.06347	1.7
108.95836	1.2
111.04465	1.1
111.11714	1.6
111.98469	16.8
112.04755	2.8
113.96363	2.2
114.94746	0.9
115.11176	0.8
118.06577	0.8
121.10134	9.4
129.99524	7.3
131.96474	1.2
131.97415	9.0
132.06554	1.7
132.95825	35.8
138.12733	2.3
139.11214	3.8
145.08806	0.8
147.04372	0.9
149.98471	5.2
150.96881	48.1
151.93904	0.9
151.97075	0.7
155.97401	11.0
156.07353	2.8
156.13823	100.0
157.14197	2.2
167.97128	0.9
168.97714	0.8
173.98470	12.8
174.08479	2.3
174.12799	2.0
174.14879	26.3
175.03886	2.7
191.99495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55347	0.4
55.05492	0.5
56.05841	0.5
57.07068	23.8
58.06591	4.3
62.06082	18.6
63.96984	0.4
69.00054	0.5
70.95850	0.8
71.08622	16.0
72.93766	0.8
80.09344	0.5
91.05477	0.7
98.98456	6.1
111.98463	1.0
112.04778	0.6
115.05398	1.0
119.08572	0.7
123.01027	0.4
131.05023	0.5
131.97418	0.7
132.06554	0.9
132.08041	0.6
132.95837	1.4
138.50443	0.4
149.98471	0.6
150.96858	2.3
156.17464	14.7
157.17854	0.6
160.05196	1.3
173.98473	1.1
174.07533	0.6
174.12738	1.4
174.18512	100.0
175.07515	4.4
175.18881	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.66754	0.3
55.05505	0.9
63.02364	0.4
65.03943	1.1
68.99806	0.4
69.07063	1.4
69.31909	2.0
69.92616	0.3
79.05492	0.6
81.07044	1.3
83.08594	0.5
89.03917	0.9
91.05477	11.9
91.80014	0.3
93.25517	0.3
95.08613	1.1
98.23445	0.8
98.98463	4.1
99.55401	0.4
103.05456	1.3
104.06238	1.4
105.03385	0.7
105.07023	3.2
107.08540	0.5
115.05449	42.7
116.06300	3.0
117.07011	9.7
118.04163	0.4
119.04930	4.2
119.08572	9.6
124.75606	0.4
128.06204	2.7
129.07004	4.7
131.04915	2.6
131.08539	1.0
132.05702	9.6
133.10120	8.3
142.04175	0.5
143.04915	8.0
144.05695	12.3
145.06488	1.8
145.10143	0.4
147.04367	2.2
147.08044	6.6
147.11699	1.4
155.06010	1.5
157.10075	0.4
158.07301	0.5
159.04375	0.4
160.05183	73.9
161.05569	2.0
173.13327	0.4
175.07529	100.0
175.14798	9.1
176.07822	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	175.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90929	0.2
62.21324	0.2
65.12096	0.2
70.73673	0.4
80.05022	0.5
91.05459	0.3
92.05035	0.3
98.98448	0.9
103.43221	0.2
105.04507	1.0
105.07005	0.3
106.06532	1.5
107.06078	1.6
108.06859	0.4
115.05457	0.3
118.05269	0.2
119.06039	1.1
119.08575	1.2
120.05605	1.0
121.87672	0.2
131.06036	1.1
132.05565	0.4
133.06343	4.3
133.07593	1.7
133.10138	0.9
134.07132	3.5
135.05420	0.2
146.07121	3.8
147.06641	7.1
148.07492	0.4
148.08655	2.1
149.08173	0.2
157.06322	0.6
158.07127	4.0
159.07906	5.9
159.09148	0.4
170.04280	0.2
174.09038	2.9
175.09773	100.0
176.10173	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.27346	3.5
67.05495	5.5
69.07042	5.2
70.06570	4.3
71.19133	5.7
79.05459	6.3
81.07055	14.2
91.05470	40.5
92.90079	96.2
93.07031	13.3
95.04952	8.5
98.98460	58.3
105.07021	92.0
107.08603	5.6
110.91109	8.7
115.05440	6.2
117.07006	44.3
119.08570	40.5
120.55316	3.9
121.06445	5.8
129.07010	21.7
131.08543	37.8
133.06499	9.1
133.10139	46.8
133.92664	24.6
141.06953	5.3
142.07755	48.0
147.08034	10.3
147.11682	26.8
151.93741	85.6
157.04271	19.7
157.10109	56.1
160.08812	4.6
169.94818	10.7
174.95367	11.3
175.08774	4.9
175.11151	100.0
175.14780	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.60345	0.9
55.01854	3.7
55.05500	5.4
57.03421	1.4
57.06593	0.9
67.05487	9.9
69.03408	1.2
69.07051	1.7
69.22654	5.7
70.06586	1.2
71.04978	1.0
77.03913	1.5
78.22044	0.9
78.50340	0.9
79.05492	10.3
81.07050	8.3
83.04955	2.2
91.05469	45.6
92.90024	2.2
93.07030	10.2
95.04942	7.9
97.06526	1.2
98.98454	14.0
103.05446	2.7
105.03380	1.8
105.07016	100.0
106.07301	2.2
107.04950	1.6
107.08575	3.5
115.05423	10.1
116.06248	2.2
117.07004	56.1
119.04889	3.2
119.08564	33.8
121.06486	4.6
128.06215	2.2
129.06985	27.4
131.08551	35.3
132.08893	1.4
133.06467	8.4
133.10107	47.7
133.92636	1.4
141.06975	5.0
142.07755	50.7
145.06459	3.3
145.10100	7.6
146.07245	3.5
147.08037	9.1
147.11668	19.5
151.93755	3.8
155.08586	1.0
157.04279	2.8
157.10101	56.4
158.10452	1.7
159.08080	1.0
160.08781	4.5
169.07616	1.1
175.11159	99.2
175.14604	5.5
176.11568	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	175.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03939	0.8
55.01867	1.5
55.05510	6.4
57.89324	0.7
65.03938	1.3
67.05507	3.8
69.03426	1.8
69.07063	2.5
69.26058	3.4
71.04985	1.4
74.93162	1.0
79.05479	6.0
81.03408	0.8
81.07058	4.4
83.08612	0.9
91.05473	25.9
91.06055	1.2
93.07040	6.0
95.04957	4.0
95.08580	1.5
98.98464	24.5
103.05476	1.8
105.03416	1.3
105.07023	85.8
106.07342	1.5
107.04954	1.7
107.08595	4.9
109.06522	0.8
115.05457	4.7
116.06281	1.5
116.97150	0.7
117.07010	15.5
119.04951	1.8
119.08575	46.5
120.08831	1.0
121.06497	4.7
128.06210	3.1
129.06995	14.1
130.07799	1.5
131.08560	17.6
132.09358	1.1
133.06494	10.3
133.10117	25.3
135.08023	1.0
141.06958	5.5
142.07773	44.9
143.08165	1.0
145.06470	4.6
145.10114	11.7
146.07243	5.0
146.10899	1.8
147.08052	9.3
147.11676	31.8
151.93994	1.8
157.04378	1.7
157.10112	45.8
158.10439	2.0
159.07877	0.8
160.08829	11.8
169.07565	0.8
173.09563	1.1
175.11174	100.0
175.14734	12.4
176.11464	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	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01859	1.6
55.05499	3.5
65.90852	0.9
67.05492	2.3
69.03406	2.0
69.07066	1.4
69.75942	3.9
70.06618	0.9
71.04989	1.4
79.05480	5.4
81.07050	2.7
91.05471	18.6
93.07030	2.6
94.71796	0.9
95.04951	2.3
98.22792	1.2
98.98466	14.5
103.05447	1.9
105.07021	75.7
106.07317	1.8
107.08588	3.8
115.05446	4.0
116.07141	1.0
117.07009	13.2
118.07822	0.9
119.04913	1.8
119.08571	37.1
121.06487	4.8
128.06181	2.2
129.06993	17.1
131.08583	12.3
133.06487	9.9
133.10121	14.2
141.06989	6.4
142.07771	50.0
143.08003	1.2
145.06483	5.0
145.10109	11.0
145.49306	0.9
146.07231	3.3
146.10835	1.3
147.08032	8.4
147.11673	21.9
151.93822	1.4
157.10112	50.2
160.08835	11.9
175.11171	100.0
175.14552	5.8
176.11525	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	175.1117
Annotation	Dihydropalutropone
Peak:m/z	Relative Intensity
58.12140	0.7
58.93214	0.5
62.36137	0.7
69.87553	1.9
70.06604	0.7
72.03206	0.6
79.05504	1.2
79.83591	0.5
81.07043	0.7
91.05473	2.0
92.90052	5.0
93.07006	0.6
98.98457	6.8
104.60340	0.6
105.06339	1.1
105.07018	12.7
105.13993	0.5
113.44386	0.6
115.05439	5.1
119.08572	2.0
128.02797	0.6
129.62976	0.6
131.04901	1.0
132.05727	0.9
133.06477	100.0
133.92702	1.2
134.06815	2.4
143.06024	14.5
146.07231	0.8
147.08040	1.2
151.93748	5.1
157.04276	3.1
160.08797	0.6
162.73611	0.7
175.11168	68.8
175.14682	1.5
176.11491	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.00799	1.0
55.01849	1.2
55.05492	3.3
57.03432	21.4
61.64668	1.1
64.05791	1.1
65.03912	1.7
67.05503	10.7
69.03398	2.0
69.07050	1.6
70.06566	1.6
70.18371	1.1
73.36210	1.1
79.05479	7.7
81.07038	4.7
91.05470	21.8
93.07028	3.9
95.04962	12.3
95.08570	2.1
98.98458	65.3
103.05456	2.2
105.07023	32.7
107.04939	8.0
107.08574	3.5
115.05411	3.8
116.06241	1.9
116.99480	1.5
117.07026	7.8
119.08572	56.5
121.06458	6.0
128.06203	4.6
129.06989	8.2
131.01649	1.1
131.04900	5.4
131.08513	3.5
132.05675	2.1
133.06483	29.8
133.10114	15.9
135.08023	2.1
142.07756	11.1
145.06477	11.8
145.10123	1.7
146.07249	33.7
147.08037	73.9
147.11676	15.0
148.08350	1.3
151.93724	1.6
157.04263	2.8
157.07603	3.1
157.10106	10.6
160.05188	1.3
160.08852	7.9
175.07417	2.8
175.11160	100.0
175.14719	13.4
176.11539	2.2
177.26170	1.2
194.30348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
54.57483	0.5
55.01883	0.6
55.05509	3.4
55.88403	0.5
57.03433	22.6
59.05016	0.7
65.03934	1.9
67.05495	12.1
69.03431	1.6
69.07052	0.7
70.13269	1.3
70.13603	0.7
72.60812	0.5
74.61243	0.5
74.91260	0.5
77.03930	0.8
79.05489	5.9
81.07051	1.9
91.05476	15.9
93.07055	1.8
95.04960	13.0
95.08634	0.5
98.98460	20.0
103.05472	1.4
105.04588	0.8
105.07023	22.8
107.04945	8.7
107.08599	1.6
115.05441	2.0
116.06256	1.4
117.07012	5.8
118.07800	0.8
118.88055	0.5
119.08572	48.1
120.08949	1.0
121.06497	6.5
125.29252	0.5
128.06215	2.7
129.06990	5.9
131.04932	4.1
131.08603	2.9
132.05690	2.7
133.06479	30.9
133.10103	7.4
134.06932	0.6
135.08018	2.8
141.06946	1.1
142.07765	10.3
143.05998	0.9
145.06474	11.0
145.10138	2.3
146.07257	38.8
147.08035	77.6
147.11667	13.3
148.08365	1.2
155.06071	0.7
157.04286	0.6
157.07571	3.3
157.10118	8.0
160.08826	10.1
167.14658	0.6
175.11168	100.0
175.14772	3.8
176.11481	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01158	0.4
55.05499	1.5
56.40910	0.4
57.07064	0.8
61.72856	0.5
63.18441	0.5
64.99258	0.4
65.40133	0.4
66.26203	0.5
67.05518	0.6
69.07055	1.4
69.88810	1.6
70.06584	0.8
75.21560	0.5
79.05480	1.0
81.07056	1.7
91.05472	7.7
92.90060	2.8
93.07053	1.5
95.08601	1.2
98.23293	1.0
98.98463	6.7
103.05444	1.2
105.07021	22.3
106.07373	0.6
107.08630	1.2
115.05437	0.5
117.07002	2.9
119.08569	93.9
120.08922	1.9
129.06996	0.5
131.08560	2.6
133.10118	100.0
134.10464	2.3
145.10114	2.0
147.11670	7.0
151.93715	3.1
157.04221	1.5
160.12306	1.1
169.94856	0.7
173.13316	0.6
175.11292	0.8
175.14809	30.4
176.17932	0.6
191.54855	0.6
193.46164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
54.31484	0.5
54.31828	0.6
55.05504	8.7
55.22984	0.6
55.66888	0.6
57.07067	1.1
58.14600	0.6
63.73864	0.5
66.35374	0.6
67.05491	2.8
69.07066	21.3
70.56848	0.9
70.57176	0.8
77.03918	0.6
79.05505	3.2
81.07057	12.8
83.08618	4.9
84.87989	0.6
91.05473	13.4
92.05785	0.6
93.07050	5.9
95.04958	0.7
95.08596	9.9
98.98454	6.3
103.05450	1.2
105.07025	35.3
106.07317	0.7
107.08594	9.9
109.10133	0.8
115.05444	1.3
117.07025	3.4
119.08574	93.5
120.08929	1.7
121.10120	3.0
131.08560	5.4
133.10123	91.3
134.10463	2.5
135.11705	0.9
145.10123	6.2
146.10886	1.5
147.11687	15.3
160.12500	4.4
173.13313	2.8
175.07613	1.0
175.14812	100.0
176.15169	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05502	8.1
67.05495	9.6
68.49828	1.6
69.07063	9.9
69.80475	3.2
69.80836	2.9
79.05492	10.5
81.07050	82.1
83.08620	3.6
91.05466	24.4
92.90070	5.3
93.07030	19.6
95.04964	2.6
95.08595	38.9
95.45882	1.5
98.23399	2.3
98.98460	21.6
100.69334	1.5
103.05429	2.1
105.07022	62.8
106.07331	1.5
107.08593	18.6
109.10123	5.4
110.98849	1.3
117.06962	3.9
118.07823	1.6
119.08569	96.4
121.10117	2.1
121.13679	1.3
131.08545	9.3
133.10118	88.1
145.10114	4.3
146.10887	3.4
147.11658	24.4
151.93823	7.1
157.04283	6.2
160.12459	1.4
173.13187	2.0
175.07349	2.0
175.14801	100.0
176.15234	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.59216	0.7
55.05508	9.5
57.07072	1.5
59.00627	0.5
59.71720	0.4
63.08870	0.4
64.07141	0.5
67.05499	2.2
69.07065	25.8
69.90440	1.7
70.06580	0.7
70.07393	0.6
79.05486	3.0
80.55798	0.5
81.06591	0.7
81.07047	5.7
83.08618	4.7
91.05476	11.2
93.07058	4.1
95.04934	0.5
95.08610	5.6
98.22743	0.9
98.98457	9.7
103.05433	1.0
105.07023	27.1
107.04932	0.7
107.08593	6.4
115.05437	1.2
117.07013	4.1
119.08572	98.2
119.35141	0.5
120.08936	1.9
121.10122	3.0
121.64749	0.5
129.07021	0.5
130.06488	0.5
131.08534	5.0
132.09283	0.5
133.10120	84.0
134.10513	1.4
135.11639	0.8
142.07764	0.4
145.10109	8.6
146.10797	1.0
147.04390	1.2
147.08080	2.7
147.11668	14.1
148.79974	0.5
157.56180	0.4
159.11606	0.9
160.05171	1.0
160.12474	3.9
173.13197	2.8
175.03853	0.9
175.07526	1.5
175.14807	100.0
176.15120	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03939	1.0
55.05509	9.2
56.93541	0.5
57.07073	1.1
61.62930	0.5
63.51220	0.6
66.60605	0.5
67.05502	2.6
69.07060	24.2
69.20607	1.6
69.21011	1.8
75.11104	0.6
79.05472	3.1
81.07054	8.9
83.08600	4.6
91.04940	0.9
91.05475	13.3
93.07042	5.7
95.04968	1.0
95.08598	7.7
98.98454	1.6
103.05470	0.7
104.06248	0.7
105.07022	31.6
107.08586	8.9
115.05454	2.3
117.07022	3.8
119.08572	96.4
120.08925	2.1
121.10138	3.3
131.08557	5.8
132.09357	0.9
133.10118	78.8
134.10461	1.7
135.11690	0.8
143.04950	0.6
145.10104	9.5
146.10876	1.7
147.08008	0.8
147.10590	0.9
147.11685	12.5
158.10861	0.6
159.11681	1.2
160.05193	3.3
160.12524	3.4
173.13220	2.8
175.07536	3.8
175.14806	100.0
176.15152	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.1
61.07341	1.3
61.84527	1.2
67.05492	3.7
68.63481	1.2
69.07062	23.7
69.70171	3.9
69.70519	2.3
77.03897	1.4
79.05476	4.7
81.07053	16.6
83.08614	4.3
85.17848	1.2
91.05471	21.2
93.07039	7.6
95.08591	12.5
98.98447	11.4
103.05447	1.6
104.06257	1.3
104.09885	1.2
104.57100	1.2
105.07018	46.3
107.08584	10.1
115.05445	7.7
117.06980	8.8
119.04916	2.0
119.08569	99.3
121.10145	2.3
131.08577	7.5
133.10114	95.4
134.10423	2.3
145.10101	7.3
146.10951	2.9
147.04370	3.1
147.11659	16.9
160.05196	8.8
160.12476	3.6
173.13217	3.5
175.07518	13.4
175.14799	100.0
176.15176	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
50.65790	0.9
53.03925	1.2
55.05500	9.5
57.07059	1.3
60.61211	0.8
64.04796	0.7
67.05479	2.4
69.07062	21.4
69.26664	1.6
69.27074	2.6
70.29604	1.0
79.05473	2.5
81.07043	10.2
83.08607	4.6
85.27402	0.8
89.03844	1.0
91.05470	19.5
93.07021	7.6
95.08598	7.9
97.67902	0.7
98.98449	2.9
103.05498	1.0
105.07013	32.9
107.08595	6.1
115.05468	0.8
115.48751	0.8
117.06979	3.7
119.04918	3.7
119.08565	86.1
120.08884	1.4
121.10137	3.2
131.08537	4.6
132.09386	1.1
133.10109	88.5
134.10451	1.8
139.66656	0.9
145.10121	6.3
146.10905	2.0
147.04346	1.9
147.11659	12.9
160.12479	3.8
173.13232	3.2
175.03865	1.3
175.14799	100.0
176.15131	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
57.07069	1.1
58.06572	0.6
58.07393	0.7
61.96405	0.4
62.06094	1.2
62.16296	0.4
65.03969	0.4
67.05505	0.8
69.07066	4.9
69.20320	2.0
70.06609	0.4
71.08618	0.6
72.08939	0.4
79.05490	1.4
81.07050	5.1
83.08636	1.1
91.05475	5.2
93.07034	2.5
95.08605	3.7
98.22662	0.8
98.98467	18.4
105.07028	12.5
107.08593	2.2
116.99511	0.6
117.07044	2.1
118.07848	0.5
119.08582	25.2
121.10137	1.0
129.07030	0.4
131.08548	2.2
133.10126	100.0
134.10440	2.7
141.27643	0.4
145.10124	3.2
146.10852	0.4
147.11674	6.1
157.17828	0.6
157.38214	0.4
160.12511	1.9
173.13260	0.9
174.18506	0.6
175.07500	1.8
175.14816	41.6
175.18828	3.9
176.10709	0.4
176.15169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.6
51.02384	1.4
52.78767	0.5
53.03945	1.3
63.02366	0.7
65.03933	20.2
68.99783	72.0
70.00105	0.5
70.92262	0.7
77.03912	0.9
78.04702	2.5
79.01849	13.0
81.03409	12.5
89.03905	33.1
91.05451	2.5
93.03396	7.6
93.07030	0.8
95.04958	2.0
98.22718	0.8
98.98464	0.9
103.05473	1.0
104.80954	0.5
105.03373	0.5
105.04499	0.9
106.04163	3.0
107.01304	5.3
109.02824	0.5
111.04429	5.6
114.42685	0.6
117.03368	57.4
118.03693	1.5
121.02853	100.0
122.03173	2.0
127.48318	0.5
134.03625	6.2
135.04399	3.6
145.02829	68.2
146.03169	1.6
149.02324	65.7
149.05956	18.1
150.02718	1.8
152.72131	0.5
162.03105	1.2
163.03889	1.1
177.01813	50.3
177.05412	16.1
177.12759	0.6
178.02162	1.2
188.25648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02390	1.1
53.03944	1.2
55.01872	0.4
63.02379	0.4
65.03938	22.9
68.99786	72.3
69.07064	0.5
69.74857	0.3
70.00122	0.4
71.42892	0.5
71.48837	0.5
74.51439	0.4
77.03919	0.6
78.04694	1.9
78.83404	0.4
79.01852	12.8
79.05515	0.6
81.03414	14.1
81.03893	0.9
81.07052	0.4
86.87339	0.4
89.03921	4.1
91.05482	3.1
93.03405	5.0
93.07029	1.2
95.04974	2.9
98.98474	6.2
103.05453	1.3
105.03362	0.4
105.04501	1.1
105.07015	0.6
106.04165	6.4
107.01315	5.4
107.04939	0.4
107.08586	1.0
111.04437	7.4
117.03377	4.5
117.07031	0.5
121.02859	100.0
121.06483	2.4
121.10144	1.0
122.03188	1.7
131.08583	0.7
133.10118	0.5
134.03627	1.2
135.04387	0.9
145.02841	4.9
149.02332	67.5
149.05940	6.3
149.42935	0.5
150.02740	1.4
162.03050	0.7
162.06711	0.5
163.03857	0.8
168.10777	0.4
175.70157	0.3
177.01820	53.6
177.08888	2.2
177.10391	0.8
177.12758	0.9
178.02234	1.6
179.08662	0.4
183.95512	0.4
193.74165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.48854	0.5
53.03952	0.4
53.24628	0.4
55.05514	0.5
63.02378	1.5
65.03928	0.6
65.85919	0.4
68.99770	1.1
69.07069	0.5
70.59190	0.4
74.00820	0.5
77.03938	0.7
78.04700	4.3
79.05484	0.9
79.73291	0.4
81.03386	0.5
81.07062	0.7
83.05019	0.5
83.08598	0.5
89.03909	50.4
90.04223	0.6
91.05474	3.7
93.07042	2.1
95.04945	1.9
95.08597	1.7
98.98452	4.4
103.05480	1.8
105.03361	0.4
105.07000	1.1
106.04156	4.0
107.04985	0.6
107.08592	1.6
117.03368	85.7
118.03657	1.3
119.04929	0.8
119.08580	0.5
121.02862	1.9
121.06483	1.4
121.10109	1.8
124.05209	1.7
129.04446	0.7
133.09995	0.4
134.03638	9.6
135.04405	6.6
135.11641	0.5
139.10123	0.4
145.02834	100.0
146.03152	2.6
149.02336	1.6
149.05959	23.8
150.06311	0.8
158.05992	0.9
159.11671	0.7
162.03107	1.9
162.06720	0.5
163.03860	2.6
166.72589	0.4
177.01855	1.3
177.05452	24.8
177.09000	4.7
177.10338	0.6
177.12741	1.6
177.16328	1.0
178.05801	0.6
186.05476	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.85311	0.4
63.02379	0.9
65.80164	0.4
69.72637	0.9
69.73025	0.8
70.96166	0.4
73.43764	0.3
77.03905	0.5
78.04701	2.7
79.05505	0.7
89.03913	44.0
91.05489	2.7
93.07012	0.7
95.04978	1.3
98.23376	0.6
98.98446	0.4
103.05445	1.1
105.04528	0.5
106.04177	2.9
107.08527	0.7
117.03371	80.9
118.03706	1.5
119.04932	0.6
119.24126	0.4
121.06510	0.7
121.10133	0.7
124.05215	0.6
130.03273	0.4
134.02699	0.7
134.03635	7.7
135.04433	4.3
145.02838	100.0
146.03142	2.2
149.05968	23.9
157.86600	0.4
162.03134	1.3
163.03864	3.0
177.05461	25.6
186.05469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03952	0.7
63.02396	1.7
64.41592	0.6
65.03934	7.1
68.56943	0.6
68.99787	23.0
69.77831	1.6
77.03912	1.2
78.04713	5.5
79.01847	3.9
79.05485	1.4
80.18983	0.5
81.03418	4.5
81.07018	0.6
82.03781	0.5
83.73405	0.5
88.02223	0.8
89.03914	73.4
90.04251	1.3
91.05483	6.5
93.03407	1.6
93.07011	1.7
95.04963	2.1
95.08644	0.6
98.98473	9.9
103.05447	2.3
105.03397	0.9
105.04488	0.8
105.07018	0.9
106.04173	4.9
107.01308	1.6
107.04954	0.8
107.08558	0.8
111.04427	2.0
117.03373	89.2
118.03714	1.5
118.96745	0.7
119.04893	1.4
121.02860	27.6
121.06477	2.3
121.10152	0.9
122.20324	0.5
124.05207	2.0
129.04468	0.9
131.04933	1.1
131.08548	1.1
134.03633	14.8
135.04416	15.4
144.63277	0.6
145.02838	100.0
146.03195	2.2
147.04474	0.6
149.02333	19.6
149.05969	40.2
151.25023	0.5
159.08069	0.9
162.03087	2.9
163.03896	14.1
177.01839	17.7
177.05449	40.6
177.08838	1.2
177.10234	1.8
177.12701	1.4
178.02280	0.6
178.05768	1.0
178.08719	0.5
186.05463	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.36321	0.4
55.37501	0.3
63.02341	1.9
68.99774	0.5
69.64014	1.5
74.92374	0.4
77.03922	0.4
78.04699	4.1
78.88058	0.4
79.05480	0.6
89.03909	52.6
90.04245	1.0
91.05483	3.5
93.07027	0.6
95.04952	1.2
98.98462	0.7
103.05457	2.1
105.03378	0.9
105.04510	0.7
106.04174	4.5
117.03368	83.9
118.03708	1.5
119.04927	0.5
121.02878	0.6
121.06505	1.0
124.05200	0.9
129.04489	0.8
134.03621	11.6
135.04417	5.7
145.02834	100.0
146.02203	0.4
146.03149	2.1
149.05962	27.3
150.06339	0.5
162.03120	1.8
163.03885	2.7
177.05457	23.9
178.05754	0.7
186.05472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
54.06468	0.4
55.05511	0.8
62.01599	0.5
63.02374	1.8
65.03937	0.9
67.05480	0.6
68.99789	1.6
69.07061	1.8
69.51917	2.5
70.70393	0.5
77.03913	0.8
78.04716	3.5
79.05482	1.4
81.07050	1.0
83.08615	0.6
87.67207	0.5
89.03912	50.1
90.04234	1.2
91.05462	3.6
93.07045	2.4
95.04936	1.3
95.08596	2.9
98.23533	0.5
98.98464	1.9
103.05452	2.1
105.03445	0.7
105.04571	0.7
105.07018	1.3
106.04173	3.5
107.08585	4.0
109.10130	0.6
117.03368	90.5
118.03700	1.8
121.02848	1.8
121.06517	1.3
121.10126	5.4
124.05176	0.7
134.03612	10.3
135.04413	6.1
135.11673	0.9
145.02835	100.0
146.03174	2.4
149.02316	1.5
149.05971	28.0
162.03128	1.5
163.03925	2.7
163.23965	0.6
169.16914	0.5
177.05450	25.9
177.16405	2.9
178.05913	0.6
186.05495	1.0
192.90891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
63.02357	2.0
65.03923	3.1
67.05487	1.0
68.99776	7.3
69.59682	0.7
71.42764	0.9
78.04705	4.4
79.01837	1.4
79.05483	1.9
80.04984	0.9
81.03413	1.5
81.07026	1.3
82.47363	0.8
83.04989	1.6
89.03909	57.1
90.04245	1.2
91.05483	7.0
93.07007	3.2
95.04942	2.9
95.08585	1.5
98.98463	20.3
103.05434	2.8
105.03408	1.2
105.04531	1.0
105.07002	1.1
106.04168	10.2
107.08546	2.0
109.29098	0.8
116.98625	1.1
117.03368	86.1
117.07009	2.4
118.03716	2.0
118.96682	1.2
119.04910	0.9
119.08534	2.0
121.02852	11.5
121.06470	2.5
121.10127	2.1
124.05205	1.3
131.04866	1.1
131.08502	1.9
131.71527	0.9
134.03629	11.9
135.04420	10.2
135.07961	0.9
135.11668	1.4
139.59924	0.8
145.02837	100.0
146.03200	2.3
149.02330	7.8
149.05975	31.3
149.07137	1.1
149.09534	1.1
158.05911	1.0
159.11679	1.3
162.03073	2.6
162.06781	1.3
163.03894	4.3
170.34998	0.8
177.01900	4.9
177.05434	30.2
177.06937	1.6
177.08868	5.0
177.10265	2.1
177.12694	9.1
177.16318	1.7
186.05458	3.2
197.42772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.00056	0.5
63.02369	1.5
65.03912	0.6
78.04708	3.6
79.05508	0.6
89.03911	57.1
90.04219	1.2
91.05486	4.3
93.07054	0.9
95.04969	1.5
97.69454	0.5
98.98451	0.6
100.05508	0.5
103.05460	2.1
105.03354	0.6
106.04166	5.2
117.03368	92.5
118.03695	1.9
121.06489	0.7
121.10104	0.9
124.05180	1.4
131.58595	0.6
134.03627	10.7
135.04411	5.7
145.02834	100.0
146.03159	2.1
149.05960	29.2
162.01721	0.7
162.03140	2.0
163.03874	4.1
177.05443	27.2
177.09045	1.3
186.05502	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	1,3,8-Naphthalenertriol
Peak:m/z	Relative Intensity
53.03902	0.6
55.05517	0.7
63.02374	2.5
64.25117	0.6
65.03938	2.6
68.99786	7.4
69.77283	2.3
70.30428	0.7
71.05028	0.6
78.04699	4.3
79.01856	1.6
79.05477	1.9
81.03419	1.3
89.03912	100.0
90.04249	1.7
90.27777	0.7
91.05478	9.5
93.07049	1.6
95.04974	2.4
98.98449	8.3
103.05473	3.0
105.03374	1.2
105.04498	1.1
105.07024	0.8
106.04169	7.9
107.04953	0.9
107.08584	1.0
111.04433	1.5
111.96880	0.6
116.82583	0.7
117.03370	59.7
117.07008	1.9
118.03682	1.1
119.04944	1.5
119.47029	0.6
120.08900	1.3
121.02858	12.9
121.06492	4.8
131.04893	1.1
133.10153	0.6
134.03624	27.2
134.10483	1.1
135.04407	44.0
136.04715	1.0
145.02841	25.8
147.04425	1.1
148.58154	0.6
149.02330	8.6
149.05968	63.5
150.06317	1.7
162.03119	5.8
163.03894	52.3
164.04239	1.1
176.15166	0.9
177.01991	5.5
177.05452	77.5
177.08911	8.6
177.12689	1.4
177.15347	0.7
178.05783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.02366	0.9
53.03939	1.9
65.03935	15.8
68.99786	53.7
70.02287	2.2
70.77102	0.7
71.33263	0.7
72.89111	0.7
77.03893	1.0
78.04707	4.3
79.01846	8.8
79.05481	2.4
81.03410	9.4
81.07021	0.9
88.02180	0.9
89.03381	1.6
89.03915	22.2
91.05473	12.3
93.03405	4.2
93.07043	2.7
95.04963	3.9
98.98470	15.7
103.05469	3.5
105.03366	1.3
105.04507	1.5
105.07005	2.9
106.04163	17.2
107.01311	4.0
107.04958	1.2
107.08560	2.4
111.04428	4.4
115.05445	4.0
116.06207	4.3
117.03369	31.3
117.07013	13.8
119.04924	1.5
121.02859	70.8
121.06493	6.7
121.10109	1.9
122.03217	2.1
131.04892	1.9
131.08527	1.8
133.06477	4.4
133.10115	0.9
134.03633	5.2
134.07275	4.2
135.04410	4.4
135.08034	2.8
144.05679	2.2
145.02834	36.9
145.06459	2.4
149.02327	45.1
149.05975	15.9
150.02623	1.3
159.07977	1.0
161.06042	1.2
162.03191	1.9
162.06749	13.8
163.03896	3.8
177.01828	33.4
177.05467	16.9
177.09088	100.0
177.16380	0.9
178.09451	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.10781	2.9
55.01855	3.6
55.05520	6.9
56.96570	8.6
60.40203	3.2
67.05499	8.5
69.03411	6.9
69.07062	8.1
79.05487	24.0
81.07049	13.9
83.04979	4.0
84.81329	3.1
85.06538	6.1
88.02208	5.4
91.05467	49.7
93.07044	40.7
95.08594	7.4
97.06527	6.9
98.98468	33.5
105.07024	71.7
107.08582	48.3
109.06525	7.9
110.93366	3.4
116.99484	4.9
117.03327	4.5
117.07021	25.9
119.08582	56.1
121.06470	16.1
121.10122	22.6
123.07996	3.4
129.07001	10.3
130.07693	3.3
131.08537	24.1
133.10118	96.9
135.08067	10.1
135.11685	38.1
139.51874	3.3
144.09351	13.1
145.02844	4.1
147.07988	3.5
149.05983	3.5
149.09592	4.2
149.13289	16.6
157.10083	4.9
159.11681	65.7
168.37503	3.3
177.05333	4.5
177.10417	16.1
177.12737	100.0
177.16280	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.1
55.35356	5.1
67.63101	5.1
69.07054	8.4
79.05492	26.5
80.05025	6.3
81.07052	25.6
88.02229	6.0
91.05479	45.9
92.21631	5.5
93.07041	49.4
95.04974	7.9
95.08618	14.1
98.98452	20.2
105.07037	48.2
107.08589	46.3
109.06563	10.6
117.07036	18.7
119.08547	41.7
121.06480	13.0
121.10103	29.4
129.07037	5.8
131.08554	28.4
133.06557	5.3
133.10104	65.2
135.11673	32.8
144.09311	18.6
146.88612	6.6
147.11780	6.2
149.13264	24.9
153.93747	8.7
159.11674	95.7
177.06644	9.0
177.10315	30.3
177.12727	100.0
177.16478	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03936	1.5
55.01841	2.0
55.05509	7.5
55.31897	0.9
57.03425	1.6
57.07060	1.5
59.04983	2.5
65.03916	1.9
67.05502	11.4
69.03428	5.4
69.07059	11.5
71.04978	4.4
71.43379	0.8
77.03899	1.4
79.05483	24.3
81.07047	22.9
83.04959	3.3
83.08611	1.9
85.06529	6.5
88.02213	2.0
91.05468	49.4
92.05791	0.9
93.07032	54.7
94.07336	1.3
95.04955	9.1
95.08592	7.9
97.06509	4.3
98.98433	3.4
103.05443	1.8
105.04518	1.7
105.07016	83.7
106.07325	1.1
107.04923	2.9
107.08579	52.5
109.06509	9.4
109.10104	1.7
111.08005	1.3
113.26759	0.8
115.05447	2.6
116.06256	0.9
117.07006	23.7
119.06081	1.2
119.08563	51.1
120.08942	1.0
121.06492	14.3
121.10130	23.3
122.07235	0.8
123.08076	2.1
129.06984	10.3
130.07784	3.9
131.08553	33.4
133.10110	87.6
134.10469	1.2
135.08032	10.8
135.11670	43.3
135.21217	1.0
144.09323	17.5
147.08046	0.9
147.11687	8.5
149.09622	4.4
149.13237	23.7
150.13475	0.9
157.10138	3.3
159.11671	85.9
160.12007	3.3
162.10452	1.5
177.06639	1.8
177.10197	3.6
177.12721	100.0
177.16299	3.1
178.13130	4.5
181.12874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08811	0.5
68.38670	0.6
71.41658	0.8
79.72840	0.6
80.11684	0.7
82.77345	0.6
82.99834	1.7
91.05445	0.9
100.02488	2.5
101.00872	20.1
101.01539	1.1
102.00996	0.8
105.07013	1.5
119.01912	100.0
120.02002	3.5
133.03467	5.5
134.02948	1.1
134.05960	0.7
137.02942	35.2
138.03046	1.6
142.03514	1.0
151.04521	2.4
156.04996	3.3
161.02946	18.6
162.03067	1.2
174.06105	1.4
179.04004	29.7
179.08208	1.2
179.10625	1.4
180.04129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.6
63.52496	0.5
69.85258	1.5
79.05486	0.5
82.99833	0.9
85.02884	0.8
91.05457	1.5
93.07031	0.4
94.01322	0.4
95.01479	0.5
95.04955	1.1
95.06131	0.5
98.23374	1.0
100.02504	2.5
101.00869	16.0
105.07008	0.8
115.02430	1.7
116.98570	0.5
118.03542	0.6
119.01913	100.0
119.04899	3.1
120.01991	3.6
121.02370	0.7
123.04371	0.6
133.01747	0.7
133.02647	0.8
133.03493	11.4
133.06508	0.6
133.10139	0.7
134.03001	0.8
134.05962	0.7
137.02951	36.4
138.03055	1.7
138.96382	0.8
142.03496	0.8
143.01878	1.1
147.04364	3.9
151.04587	3.9
155.01926	0.8
156.02107	0.8
156.05054	6.0
156.97466	4.7
157.03445	1.0
161.02950	18.5
161.05896	0.7
162.03067	1.1
162.05566	0.9
174.06169	1.6
174.98503	4.1
175.04582	0.8
179.00815	0.9
179.04025	26.6
179.06502	1.0
179.08200	1.0
179.10567	0.9
179.99132	3.2
180.04178	0.7
180.06628	1.0
191.38535	0.6
198.00191	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	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.6
63.52496	0.5
69.85258	1.5
79.05486	0.5
82.99833	0.9
85.02884	0.8
91.05457	1.5
93.07031	0.4
94.01322	0.4
95.01479	0.5
95.04955	1.1
95.06131	0.5
98.23374	1.0
100.02504	2.5
101.00869	16.0
105.07008	0.8
115.02430	1.7
116.98570	0.5
118.03542	0.6
119.01913	100.0
119.04899	3.1
120.01991	3.6
121.02370	0.7
123.04371	0.6
133.01747	0.7
133.02647	0.8
133.03493	11.4
133.06508	0.6
133.10139	0.7
134.03001	0.8
134.05962	0.7
137.02951	36.4
138.03055	1.7
138.96382	0.8
142.03496	0.8
143.01878	1.1
147.04364	3.9
151.04587	3.9
155.01926	0.8
156.02107	0.8
156.05054	6.0
156.97466	4.7
157.03445	1.0
161.02950	18.5
161.05896	0.7
162.03067	1.1
162.05566	0.9
174.06169	1.6
174.98503	4.1
175.04582	0.8
179.00815	0.9
179.04025	26.6
179.06502	1.0
179.08200	1.0
179.10567	0.9
179.99132	3.2
180.04178	0.7
180.06628	1.0
191.38535	0.6
198.00191	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	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
52.31978	0.3
55.01867	0.4
65.03930	1.3
67.05487	0.5
70.56289	0.5
76.68277	0.3
79.05512	0.5
79.58591	0.3
91.05470	31.6
95.04958	0.7
101.00861	1.8
105.07003	0.6
107.04975	0.3
118.04136	0.4
119.01924	7.6
119.04929	78.0
120.05269	1.9
133.06488	0.5
136.05156	1.0
137.02942	2.7
137.05963	6.4
146.03636	0.4
147.04390	100.0
148.04739	2.3
151.04060	0.4
151.07526	2.4
153.29019	0.3
156.04996	0.5
156.97520	0.3
160.86771	0.4
161.02951	1.3
161.05966	0.8
164.04654	1.9
171.55136	0.3
179.04095	1.7
179.07007	15.4
181.34685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0855
Annotation	Anthracene
Peak:m/z	Relative Intensity
62.80568	0.3
69.94164	0.6
69.94496	0.3
80.77057	0.3
111.92558	0.2
123.89230	0.3
126.04575	0.4
152.06172	1.2
153.06955	0.9
169.06462	0.5
175.30016	0.3
176.06187	0.6
177.06932	1.5
178.07758	53.2
179.08530	100.0
180.08876	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	180.0654
Annotation	3-(2-Aminophenyl)-3-Oxopropanoic Acid
Peak:m/z	Relative Intensity
53.03902	0.2
56.96560	1.7
63.02320	0.2
65.03890	0.2
77.85026	0.2
79.05489	1.9
89.03909	10.4
91.05471	3.0
95.04937	0.6
98.97578	11.4
100.84818	0.2
105.04445	0.3
106.68483	0.2
107.04942	3.4
116.97784	0.3
116.98612	8.2
117.03370	13.6
118.03700	0.3
119.04939	1.9
121.06444	0.4
131.25682	0.2
134.05959	0.3
134.98695	0.4
134.99654	3.9
135.04402	28.1
136.04695	0.5
137.05969	2.7
138.05507	1.5
139.03900	0.3
140.00159	0.4
145.02834	17.7
146.03246	0.3
153.00740	0.5
158.01257	0.2
162.05588	0.3
163.03886	100.0
164.04231	1.8
166.07799	0.2
180.06549	7.6
180.08014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0654
Annotation	N-Acetylanthranilate
Peak:m/z	Relative Intensity
54.04725	0.3
55.01885	0.2
55.09084	0.3
56.96560	0.6
57.70489	0.2
59.74261	0.2
65.03940	2.4
67.01869	0.8
67.05496	0.9
68.99781	0.4
69.03415	0.3
69.34715	1.1
78.04704	0.2
79.05474	1.3
81.03403	1.2
82.04190	3.4
85.02891	1.4
89.03928	0.3
91.04221	0.3
92.04993	0.5
93.03415	0.5
95.04959	0.8
97.06512	0.4
98.22692	0.4
98.97574	2.7
106.04117	0.2
106.06542	2.4
107.04965	0.5
108.02059	0.5
108.04433	0.4
110.03661	0.6
110.06055	0.3
111.04443	0.7
116.04932	0.6
116.38420	0.3
116.98600	1.8
119.03676	10.2
120.04452	0.8
121.02909	0.3
121.06460	0.2
123.00806	0.4
123.04427	1.0
124.05214	0.3
124.07563	0.3
125.05994	0.8
133.02811	0.5
133.58223	0.2
134.06003	33.2
134.99643	0.6
135.04407	1.2
135.06343	0.8
136.03934	0.9
137.02322	4.7
137.04675	1.4
138.02997	0.3
147.03145	2.8
148.03911	2.1
149.04683	1.2
151.03879	1.9
152.04681	3.0
152.07051	0.7
153.05453	0.8
162.05484	100.0
163.03908	1.0
163.05850	2.4
165.01826	27.8
165.04176	2.9
166.02109	1.0
171.06516	1.3
180.04132	5.0
180.06531	7.0
180.08124	0.3
181.04930	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	181.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53950	0.5
54.92971	0.5
56.96560	10.7
69.55431	2.2
71.95241	1.1
81.03413	0.9
92.84061	0.5
98.06037	0.6
98.97577	100.0
99.97945	0.7
101.00913	0.5
102.96873	1.3
103.00623	0.7
116.98615	58.6
119.01896	1.4
121.01646	2.6
134.99649	20.0
138.96475	1.3
140.00169	2.1
153.00729	2.4
156.97481	11.3
157.97527	1.7
157.98700	0.8
158.01239	2.0
174.98524	8.5
175.98590	1.5
180.99260	1.3
181.03714	1.2
196.11891	0.5
198.98550	0.8
199.00343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.01595	0.6
51.74223	0.5
53.03942	0.7
55.01867	0.7
55.05498	0.6
56.96563	8.6
63.02375	0.7
65.03935	6.2
65.75137	0.4
67.05498	1.1
69.03414	0.6
71.04971	0.6
77.03922	0.6
79.05494	4.4
81.03421	1.2
81.07042	1.0
82.04200	0.6
83.04982	0.8
85.02889	1.5
89.03907	21.3
91.05473	5.0
92.16930	0.4
93.02866	0.8
93.03400	6.5
93.07037	2.9
95.04966	6.5
95.08584	1.0
96.04550	0.5
97.06514	1.2
98.97578	62.4
105.04491	0.7
105.06992	1.1
107.04951	10.4
107.08602	1.6
109.06500	0.5
110.03691	1.1
111.04440	18.1
112.68470	0.6
116.98615	50.6
117.03370	24.0
118.03654	1.1
119.04913	1.6
119.08602	0.7
121.06522	1.7
121.10133	2.3
125.05997	1.9
125.97661	0.5
134.99654	26.5
135.04405	53.3
135.11737	1.1
136.04747	1.2
137.05978	0.5
138.03076	0.7
139.03891	19.1
139.04979	1.0
140.00177	1.9
145.02835	25.7
145.03902	1.1
145.10048	0.7
146.03157	0.5
149.05948	1.0
152.07065	1.4
153.00726	3.2
153.05450	1.6
153.06752	0.5
158.01254	2.3
163.03891	100.0
163.11159	3.7
164.04260	2.5
171.06476	1.2
176.02216	0.9
179.55553	0.5
181.04932	5.1
181.06313	0.8
181.08530	0.5
181.12198	2.0
182.08188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.18874	0.3
53.03941	0.5
63.02369	0.7
65.03924	0.5
69.60454	1.0
73.49627	0.3
77.03929	0.9
79.05489	3.1
89.03906	21.8
90.04251	0.3
91.05474	0.9
93.03381	0.3
95.04958	1.1
98.97567	1.1
105.04510	0.4
105.55039	0.3
107.04942	7.1
111.04428	0.7
116.98605	0.7
117.03365	23.8
117.78987	0.3
118.03771	0.3
135.04399	42.4
136.04732	1.1
139.03870	1.0
145.02834	27.0
145.03845	1.0
146.03139	0.8
163.03882	100.0
164.04211	2.4
181.04918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83244	0.3
57.02248	0.3
63.02367	0.7
65.03924	1.5
68.22026	0.4
69.20084	1.1
69.20507	1.1
77.03928	0.7
79.05491	3.9
89.03908	16.1
90.04214	0.5
91.05474	1.7
93.03387	3.4
95.04951	0.9
98.22643	0.4
107.04942	7.5
108.09164	0.3
111.04438	6.5
117.03371	22.5
118.03730	0.8
119.04931	0.9
127.13054	0.3
135.04402	42.0
136.04701	0.8
139.03877	6.8
140.04646	0.4
145.02838	26.0
145.03838	0.9
146.03133	0.6
163.03888	100.0
164.04201	3.1
181.04907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
63.02350	0.4
65.03928	1.4
69.55824	1.2
69.56229	0.6
79.05501	2.0
82.37170	0.3
89.03912	13.6
91.05479	1.8
93.03401	2.5
95.04977	0.5
98.23394	0.5
105.90475	0.3
107.04939	6.2
111.04443	4.5
114.60627	0.3
117.03370	16.0
118.03682	0.6
119.04959	0.4
135.04404	38.3
136.04723	0.8
139.03903	5.7
145.02834	23.9
146.03157	0.6
163.03889	100.0
164.04227	2.0
181.04916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01884	0.9
55.05518	2.3
56.96556	0.5
57.03436	0.8
57.07072	19.1
57.76121	0.5
59.05012	2.0
67.05511	1.1
69.03426	1.4
69.07066	3.2
69.86761	1.9
79.05486	6.0
79.64482	0.5
81.03409	5.0
81.03775	0.5
81.07050	3.3
83.04974	41.5
91.05475	3.1
93.07038	5.9
95.04958	13.5
95.05527	0.9
95.08601	0.6
97.06525	22.4
98.23392	0.8
98.97565	5.8
105.07021	4.6
105.68388	0.5
107.04949	1.6
107.08579	9.5
109.06516	1.1
109.10155	0.5
116.98621	6.0
117.07054	1.9
119.08582	2.8
121.06534	2.5
121.10142	12.1
123.08086	0.9
125.05978	62.1
126.06320	1.2
130.07808	1.6
134.99652	4.4
135.11696	4.9
145.10115	11.5
158.01237	1.2
158.04080	0.6
160.10391	0.7
163.11166	100.0
164.11581	2.7
164.80333	0.5
181.12215	29.7
182.12602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.17305	0.8
54.62798	0.7
55.01845	0.8
55.05501	2.7
57.03401	0.8
57.07071	18.3
59.04997	2.2
67.05494	1.6
69.07062	2.8
70.82876	1.5
79.05484	6.9
81.03397	5.3
81.07040	5.2
83.04975	41.3
84.05299	0.9
91.05473	2.2
93.07032	6.4
94.27963	0.8
94.86401	0.9
95.04958	13.9
95.08619	0.8
96.04417	1.0
97.06513	21.6
98.97560	2.9
105.07008	5.0
105.72268	1.0
107.04933	2.8
107.08586	9.4
116.98606	2.5
117.07021	1.7
119.08559	2.8
121.06493	3.2
121.10140	11.9
125.05978	62.1
126.06327	1.4
130.07765	2.5
134.99701	1.8
135.08012	1.2
135.11659	5.7
145.10107	11.3
152.07062	1.3
163.11163	100.0
164.11519	3.3
175.04697	0.8
181.12221	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	181.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77217	0.7
55.01865	1.4
55.05501	1.8
57.07074	18.6
59.04985	1.8
67.05493	1.0
67.28378	0.7
69.03416	1.3
69.07057	2.6
70.71136	0.9
79.05498	6.8
81.03415	5.2
81.07058	2.5
83.04977	43.2
84.05309	0.8
84.98871	0.8
91.05459	1.7
93.07040	6.1
95.04967	15.9
97.06525	21.8
97.47917	0.8
98.97579	7.1
105.07033	4.0
107.04931	2.1
107.08593	10.2
116.98616	5.7
117.07003	1.2
118.33790	0.8
119.08588	2.8
121.06493	2.4
121.10143	11.3
125.05981	58.5
130.07784	2.1
134.99637	2.6
135.11684	5.6
145.10104	10.2
153.71275	0.9
162.79164	0.8
163.11166	100.0
164.11581	2.1
171.27180	0.8
181.12213	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03933	4.4
55.01859	2.4
55.05504	6.8
56.96553	4.0
57.03423	2.7
61.22570	1.9
67.05489	9.2
67.65070	2.0
67.99761	2.1
69.03428	1.9
69.07053	8.9
71.01358	2.5
71.04985	10.6
75.64536	1.8
77.03923	2.4
79.05487	39.7
79.13416	2.1
81.07050	33.0
82.31264	2.4
83.04977	5.8
83.08585	2.3
91.05473	11.4
93.07044	50.7
93.76298	1.9
95.04953	7.8
95.08601	22.2
97.06525	21.0
98.97578	45.9
105.06351	2.8
105.07023	37.0
107.04929	4.7
107.08585	25.9
109.06496	5.7
109.10143	24.3
111.04417	5.7
111.08058	7.6
116.98618	27.3
117.07000	8.7
119.08568	7.2
121.06501	22.4
121.10129	63.0
123.08076	21.9
125.05985	6.4
130.07759	3.7
134.99602	7.2
135.08008	6.0
135.11667	18.6
137.09505	2.0
139.07539	18.2
139.11142	15.5
145.08977	3.8
145.10112	58.0
153.12712	3.5
163.11166	69.5
181.12215	100.0
182.12587	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	182.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05513	0.3
59.98515	0.3
64.81751	0.3
65.03938	0.9
67.05503	0.8
68.05027	0.6
69.03422	0.8
69.81213	1.0
70.06593	0.6
71.04980	0.5
77.03912	1.3
79.05479	1.0
80.05016	0.5
81.03405	3.3
81.07047	1.0
83.04972	0.6
84.04503	0.4
85.02908	0.7
86.06049	0.9
90.04247	0.7
91.05474	4.3
93.05802	1.1
93.07032	3.3
94.06557	0.5
94.07387	0.4
95.04961	3.3
95.08623	0.3
96.04487	1.1
98.06048	1.9
98.97572	1.3
98.98462	1.2
99.04448	0.3
99.97937	0.5
105.04510	1.1
107.08581	0.4
108.04476	0.8
108.08110	2.7
116.98604	0.7
117.98993	0.4
118.03716	0.5
118.06611	0.3
122.03612	0.8
122.06026	1.4
122.10476	0.5
123.04406	1.8
124.07571	0.4
126.05506	2.3
126.06315	0.6
136.07562	100.0
137.07904	1.9
140.07039	3.0
146.03136	0.5
146.10526	0.5
151.03929	1.5
152.07062	3.0
153.01749	0.5
153.05472	1.0
154.08586	0.6
164.04269	2.9
164.07047	50.7
164.11539	1.2
165.07349	1.1
168.04138	0.4
179.08705	0.3
182.05289	1.0
182.08067	2.2
182.12502	0.3
183.06517	8.1
183.08118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02384	0.2
51.44907	0.2
53.03933	1.2
55.05521	0.2
65.03927	0.4
67.05487	0.6
68.05020	0.2
69.03419	0.4
69.45675	0.9
77.03913	1.5
79.05500	0.8
80.05019	0.2
81.03423	1.8
81.07054	0.7
84.04510	0.3
86.06064	0.8
90.04257	0.4
91.05467	4.1
93.05769	0.7
93.07034	3.1
94.06548	0.4
95.04954	2.9
96.04508	0.8
98.06065	1.1
98.23499	0.2
98.97588	0.5
98.98470	0.5
99.97906	0.4
105.04499	0.9
108.04453	0.7
108.05191	0.3
108.08123	2.6
111.04386	0.3
116.98619	0.3
118.03685	0.6
122.03635	0.7
122.06033	1.8
123.04417	1.2
124.07552	0.4
125.05960	0.2
126.05504	1.8
136.07565	100.0
137.07938	1.9
140.07059	2.8
146.03172	1.0
149.20940	0.2
150.03185	0.2
151.03885	1.0
152.07094	1.3
153.01805	0.5
153.05484	0.9
164.04251	3.3
164.07054	49.4
165.07393	1.4
168.04070	0.3
175.25040	0.2
182.05316	0.3
182.08116	1.3
182.12495	0.3
182.57097	0.2
183.06514	5.0
183.08127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Lysichitalexin
Peak:m/z	Relative Intensity
53.03920	0.9
55.05489	1.3
67.05490	0.8
68.05013	2.1
69.03418	2.0
69.19139	3.6
70.06577	1.7
79.05486	1.8
80.05003	1.6
81.03404	9.7
81.07018	0.8
82.06574	0.9
83.04954	0.7
83.08589	0.7
84.04478	2.0
85.02906	1.6
86.06043	2.4
94.06565	3.6
95.04948	1.8
96.04478	6.5
98.06047	6.6
98.23439	1.4
98.97578	2.8
98.98464	3.6
99.97903	1.5
100.11224	0.6
104.04985	0.9
105.03338	0.7
106.06541	1.0
107.04940	6.0
108.05300	0.8
108.08083	1.8
109.06522	0.8
110.06030	5.0
112.04771	1.3
114.05557	0.6
116.98628	2.5
117.98952	1.3
121.05231	10.5
122.05228	1.0
122.06027	11.7
123.04365	1.5
124.03926	5.3
124.07553	2.8
127.01540	0.8
132.04454	4.0
133.02846	12.5
134.99628	1.5
135.04387	1.1
136.00015	1.0
136.04744	1.7
136.07561	2.5
138.05487	11.4
139.03900	0.7
139.06227	0.7
140.04259	1.7
140.07115	0.7
146.03368	0.6
146.94331	0.7
149.04688	2.4
150.05486	47.1
152.03407	30.5
152.07034	15.2
152.08212	1.2
153.05399	0.7
154.08620	2.6
164.04240	2.9
164.06998	0.9
166.04997	1.1
167.05760	56.5
168.06107	0.6
182.08107	100.0
182.19038	3.4
182.20508	0.6
183.06496	2.3
183.08458	2.1
190.40480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
50.11059	0.7
52.87909	0.9
55.01863	1.2
55.05505	8.0
56.96572	0.9
57.03408	1.1
57.07064	2.7
58.02959	30.8
64.96821	0.6
67.05500	17.2
69.03436	1.0
69.07064	58.8
69.45365	0.8
70.01107	1.0
70.01451	1.5
70.06580	3.0
70.07398	1.0
73.69025	0.7
74.06066	1.7
79.05488	5.6
79.19707	0.7
81.03419	1.7
81.07053	19.1
83.04961	0.9
83.08608	7.1
84.08132	9.1
86.06057	1.9
91.05480	4.8
93.07032	9.8
95.04964	1.6
95.08621	6.0
96.08132	1.0
97.06558	3.8
98.06053	4.3
98.09684	2.5
98.97586	5.1
98.98381	0.9
99.97889	1.9
100.07616	6.1
105.07017	12.5
107.08584	16.1
109.06524	2.3
109.10148	43.6
110.10480	0.8
112.07581	2.7
114.09160	14.2
116.98607	3.5
117.98994	1.7
119.08585	1.8
121.10148	1.6
123.11687	6.4
126.09148	13.3
126.12764	1.5
133.10120	25.9
134.99622	1.5
135.11685	18.5
137.13255	1.1
138.11751	1.2
138.12764	18.4
140.10680	1.1
140.14340	1.0
147.11658	5.1
151.11154	10.2
152.07037	1.4
153.12738	12.4
154.08690	0.7
154.15892	1.1
164.14345	2.4
165.12735	2.3
182.15390	100.0
183.15672	2.3
192.17462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
54.65840	0.6
55.01871	1.0
65.03939	1.1
67.05492	2.5
74.93410	0.7
79.05485	1.2
80.02609	1.0
81.03404	1.4
81.33118	0.7
83.04932	0.7
84.35726	0.6
93.15123	0.6
95.04958	15.4
97.02864	0.9
97.06519	0.6
98.98460	6.3
105.03387	1.4
108.02010	0.6
109.02864	0.8
109.06478	0.9
110.03692	0.6
111.04418	2.6
112.05196	1.2
116.99503	0.7
119.01895	1.3
119.48804	0.8
122.03634	9.4
123.04428	18.8
125.02342	1.8
125.05989	2.3
127.07528	3.1
133.02902	1.1
137.05969	1.5
137.07933	0.7
139.03867	3.9
140.04645	3.3
141.05452	1.7
150.03134	2.7
151.03894	18.3
151.04944	1.2
153.01820	7.0
153.04248	0.8
153.05455	13.2
155.07014	24.9
160.04593	0.7
167.03291	1.0
168.04178	7.1
173.79205	0.8
183.06508	100.0
184.06856	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	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
59.23109	0.5
60.40572	0.5
63.07494	0.5
66.04748	0.6
67.05499	0.9
69.03444	0.6
77.03912	0.6
78.73065	0.5
80.54974	0.6
95.04917	1.1
98.22664	0.9
105.03361	0.8
107.04904	0.6
122.03636	9.6
123.04436	7.9
125.05973	0.8
130.46962	0.5
133.02768	1.2
139.03864	3.7
139.77289	0.5
146.90147	0.6
150.03110	2.9
151.03909	16.3
151.05017	1.2
153.01811	6.0
153.05463	12.9
167.03394	1.1
168.04134	4.5
183.06511	100.0
184.06888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
52.61423	0.6
55.01868	0.7
55.98812	0.6
65.03942	1.2
65.40605	0.7
67.05479	1.5
69.03422	0.6
70.66760	1.3
73.97003	0.8
78.97182	0.6
80.02652	0.9
83.89334	0.6
95.04961	12.4
97.02904	1.4
97.06500	0.7
111.04438	1.6
112.05224	1.0
113.21582	0.7
122.03647	10.5
123.04422	18.8
125.02342	0.8
125.05982	1.3
127.07549	1.5
133.02864	1.1
137.00804	0.6
137.05937	1.2
139.03912	3.5
140.04684	4.1
141.05453	1.0
144.89859	0.8
150.03105	2.7
151.03903	19.1
153.01852	7.3
153.05482	13.0
155.07014	18.4
167.03415	1.0
168.04196	7.2
183.06516	100.0
184.06841	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
67.05519	1.2
69.92140	1.2
69.92477	1.4
75.48292	0.7
79.05493	0.8
94.04182	1.0
95.04974	3.8
98.22745	1.4
98.98451	0.8
107.04924	0.8
109.13401	0.6
110.09286	0.7
122.03639	11.6
123.04423	18.3
125.06001	1.2
131.61720	0.7
133.02835	1.9
139.03865	4.7
140.04674	2.9
150.03111	3.7
151.03900	17.9
151.05031	1.5
153.01814	7.5
153.05446	14.3
167.03461	1.4
168.04213	7.0
183.06520	100.0
184.06821	2.4
199.51535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
65.03927	1.6
66.04704	0.9
67.05479	2.0
69.03417	1.1
70.69974	1.0
76.99083	0.6
79.05498	1.6
79.65253	0.7
80.02629	1.1
81.03403	1.4
82.35055	0.6
94.04074	0.7
95.04964	18.8
97.02859	0.9
97.06529	0.9
98.98448	2.1
101.05486	0.8
105.04491	0.8
108.02065	0.8
109.02858	1.1
109.06527	0.9
111.04402	1.8
112.05221	1.4
119.01836	0.8
119.87102	0.6
122.03648	10.7
123.04424	24.5
124.05270	1.0
125.02333	2.0
125.05988	2.0
125.84644	0.6
126.03130	1.0
127.07529	2.9
133.02922	1.0
137.02271	1.3
137.05956	1.8
139.03868	3.1
140.04659	6.4
141.05438	1.7
150.03125	2.4
151.03899	19.0
151.04939	0.8
153.01839	6.1
153.05449	15.2
155.07013	31.0
160.04382	0.6
167.03369	1.0
168.04161	7.4
183.06512	100.0
184.06841	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	183.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.05508	83.5
56.80693	1.4
69.13098	10.4
82.03761	1.5
83.04975	100.0
84.05294	1.8
90.12311	1.8
92.15834	1.4
97.23388	1.5
98.98458	28.0
100.97159	3.1
101.00861	2.1
101.95019	8.1
114.33309	1.5
118.03510	3.2
119.01920	9.5
119.96052	5.1
127.01547	5.2
133.62288	1.5
136.00063	1.5
136.04579	1.4
136.99217	2.7
137.02979	1.9
137.97137	2.7
142.03490	9.2
155.04688	2.3
160.04517	16.9
169.10103	6.7
178.05539	8.1
183.11682	4.3
184.12462	2.5
186.84113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05509	78.2
69.28047	5.7
76.58303	0.9
81.07064	1.2
83.04977	100.0
84.05276	1.1
95.08624	1.7
98.23399	2.5
98.98460	14.5
99.04466	1.7
100.97209	1.0
100.97948	1.1
103.56110	0.9
110.88008	0.8
118.98267	1.4
119.01914	2.5
127.01532	2.1
142.03535	1.4
153.07222	1.3
155.08492	1.3
160.04562	4.1
178.05580	1.2
183.11713	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85709	0.3
55.15492	0.3
58.97609	0.3
65.67140	0.3
66.86761	0.3
70.55116	0.4
74.03949	0.4
82.99837	2.8
101.00874	34.6
102.00949	1.1
119.01912	100.0
120.01988	4.5
121.02401	0.6
124.02439	2.0
137.02950	22.4
138.03059	1.0
142.03493	18.9
143.03676	1.7
160.04544	4.7
161.02951	6.9
161.04620	1.6
167.02234	0.3
179.04007	9.3
179.05516	0.5
180.04120	0.4
184.04585	0.5
194.03348	0.3
201.04028	0.4
202.05777	0.3
202.23016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.4
69.85561	1.6
82.99847	3.0
98.22835	0.8
98.97569	1.6
101.00872	32.5
102.00955	1.2
116.98576	0.9
119.01908	100.0
120.01965	4.3
124.02431	1.9
125.00015	0.5
137.02945	25.5
138.03056	1.1
142.03490	21.2
143.01854	0.4
143.03604	1.7
149.07050	0.4
160.04549	5.6
161.02951	9.1
161.04594	1.3
179.03995	9.3
179.05496	0.7
184.04561	0.8
201.18942	0.4
202.05544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.6
57.03432	0.6
70.00810	0.7
70.01152	0.5
73.02916	1.8
82.99843	1.8
84.04523	0.5
85.02891	1.0
87.28333	0.6
97.02888	0.7
98.23425	0.6
98.97575	1.1
101.00874	26.1
102.00961	1.0
102.96870	0.5
115.02403	0.8
116.98618	0.6
119.01911	100.0
120.01991	4.1
120.97887	0.7
121.01613	0.6
124.02442	1.5
131.01888	0.5
133.01640	0.7
133.03404	0.9
137.02948	27.3
138.03137	0.9
139.03316	0.5
142.03496	18.0
143.01854	2.2
143.03642	1.8
157.01628	0.5
157.03436	1.7
160.04546	6.2
161.02943	10.1
161.04651	1.5
162.03073	0.7
174.03148	0.6
175.02757	0.7
179.04015	9.0
179.05487	0.8
184.04289	0.7
184.05679	1.5
184.07222	0.6
185.02937	0.8
186.03038	0.5
202.05626	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85612	0.4
53.06539	0.4
56.05061	0.5
56.96566	6.7
57.03439	0.4
69.03427	1.2
70.03848	0.7
70.98129	0.5
73.02905	0.5
82.99812	2.2
84.04500	4.7
85.02927	0.5
86.09709	0.5
97.01402	0.9
97.02884	1.0
97.99199	0.4
98.97578	5.4
100.02516	0.7
101.00875	26.3
102.00990	0.6
110.01261	0.4
110.97572	0.5
112.02494	0.5
112.99115	0.5
114.04047	0.8
115.02448	3.9
116.98622	2.9
117.03981	1.2
118.03538	0.6
119.01917	100.0
120.01994	3.4
124.02463	1.7
124.95448	0.5
127.00706	0.4
128.98547	0.5
130.03514	1.8
132.05058	0.9
133.03455	1.8
134.99666	1.6
137.02956	27.4
138.03110	1.0
139.02345	0.7
140.02260	0.6
142.03500	21.2
142.96547	1.1
143.00145	0.6
143.01901	1.0
143.03622	1.2
145.01736	0.5
146.99542	0.4
148.04485	0.8
149.02925	0.4
150.06125	0.6
155.02904	0.4
157.03459	12.9
160.04562	16.7
160.97548	0.8
161.01294	0.6
161.02939	7.6
161.04639	1.2
165.04999	0.4
166.03462	0.8
175.04523	4.4
179.04010	7.7
179.05499	0.5
184.04546	13.1
185.02991	4.4
185.04552	0.6
202.05602	8.9
203.04047	1.9
203.05615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05028	1.7
58.06591	0.6
60.08160	18.6
69.73904	1.8
71.07369	10.4
86.09697	100.0
87.10023	1.5
98.98460	18.7
101.95023	4.9
104.10731	5.1
114.89583	0.6
119.96056	1.7
120.97859	0.6
124.99992	83.1
137.97099	1.1
143.01001	0.7
174.26849	0.5
184.07326	96.9
185.07730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05036	1.3
60.08162	18.3
61.53022	0.6
71.07368	11.6
71.43044	0.9
86.09698	100.0
87.10011	1.0
98.98456	17.4
101.95022	14.8
102.96857	2.3
104.10733	3.9
105.07040	0.9
119.96056	9.1
120.02016	1.4
120.97911	1.7
121.07625	0.9
124.99995	81.0
129.06999	1.4
137.97104	5.3
138.98900	0.8
142.07764	1.3
143.01059	0.8
143.08557	4.8
155.08600	0.9
155.98186	1.7
157.10104	2.0
160.98645	1.3
161.04639	2.1
167.08186	1.2
178.99823	0.7
179.05789	0.9
184.07330	96.2
185.07600	1.3
185.13223	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	185.0445
Annotation	3-O-Methylgallate
Peak:m/z	Relative Intensity
51.02363	1.3
52.03152	1.3
53.03945	16.2
55.01853	4.6
55.05510	11.5
65.03924	1.7
66.16887	0.9
67.05504	2.0
68.02648	4.9
68.99776	6.2
69.03445	1.7
71.04978	3.9
79.01875	1.8
80.02646	3.1
81.03413	83.7
82.46243	1.0
83.04475	0.9
83.04980	19.7
85.06540	39.8
87.04456	2.5
95.04976	5.6
96.02081	2.1
97.02894	11.9
98.03081	2.0
98.03674	31.9
99.04468	9.0
107.01301	3.9
109.02877	59.6
111.04437	81.6
113.05992	10.7
123.04448	7.3
125.02352	14.9
126.03131	100.0
127.03973	4.7
136.21626	0.9
139.03896	79.4
141.05453	43.7
142.02629	2.0
153.01842	5.1
155.51385	1.1
157.04956	22.2
167.03387	11.0
170.71756	1.0
173.10704	1.0
185.04443	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	185.1323
Annotation	Chamazulene
Peak:m/z	Relative Intensity
53.03941	0.8
55.05502	5.5
69.07062	1.3
69.75387	2.6
77.03900	1.0
79.05473	2.8
82.64388	0.7
91.05466	5.6
93.07028	5.3
95.04942	1.4
103.05434	0.6
105.07018	13.0
107.08569	0.9
115.05437	3.1
115.62988	0.6
117.06983	1.9
119.08563	2.5
128.06207	23.5
128.12561	0.6
129.06995	26.6
131.08565	3.9
141.06960	13.0
142.07771	28.3
143.08546	80.0
144.09320	4.3
145.06432	1.9
145.10101	1.0
154.07695	0.8
155.06142	1.5
155.08539	13.2
156.09332	19.4
157.10110	51.0
158.10458	1.6
168.09328	0.9
169.10143	1.2
170.10895	19.7
171.11241	1.0
183.11635	2.0
185.09821	4.4
185.13234	100.0
186.13547	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	185.1325
Annotation	Chamazulene
Peak:m/z	Relative Intensity
50.60293	0.8
53.97367	0.7
55.05306	0.6
55.05513	6.3
57.81702	0.6
60.95835	1.8
69.07059	1.3
69.21898	1.0
69.22301	2.8
79.05504	3.4
80.03448	0.7
81.07067	0.8
91.05009	0.7
91.05489	6.0
93.07034	6.7
95.04964	1.8
95.06075	0.9
98.23443	1.3
102.96868	9.6
105.07022	14.2
106.72710	0.7
107.06068	2.8
115.05391	3.3
117.07001	1.8
119.06033	1.5
119.08562	2.6
120.97896	9.3
121.01625	0.8
121.07598	3.7
122.06010	0.7
128.06212	23.3
129.06096	1.4
129.07007	24.0
131.06036	1.2
131.08585	4.8
137.07068	2.2
138.98929	6.0
141.06996	10.5
142.07770	28.0
143.08553	77.4
143.99419	1.0
144.03189	1.5
144.09322	3.3
145.06462	0.7
145.10056	1.3
149.07079	5.5
155.05997	1.7
155.08549	12.6
156.09340	20.1
157.00012	1.1
157.10115	48.4
159.08057	0.8
162.00505	1.0
162.04370	1.7
167.08199	3.0
169.10045	1.7
170.10901	18.2
183.11678	2.0
185.09741	3.7
185.13242	100.0
186.13589	2.6
186.18407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05494	2.4
57.07061	2.6
65.19237	0.7
67.05488	3.4
69.07056	2.5
70.10828	0.8
71.34184	0.9
73.86439	0.7
79.05485	4.6
81.07050	11.6
83.08579	1.2
88.02190	2.6
88.51506	0.8
91.05470	10.8
93.07026	7.2
95.04965	1.4
95.08588	7.3
105.07011	20.9
107.08582	5.5
107.46544	0.8
107.73019	0.8
109.06508	0.9
115.05409	1.7
116.06228	1.5
117.07014	17.9
119.08557	15.5
122.05267	0.9
128.06190	2.3
129.06961	7.8
130.07784	8.0
131.08551	43.1
132.09299	3.3
133.10100	4.5
135.12621	0.7
141.06995	1.1
142.07779	1.8
143.08546	20.5
144.09352	7.3
145.10104	95.1
146.10478	2.5
146.26616	0.7
157.10095	10.4
158.10883	14.5
159.06972	1.1
159.11679	49.6
160.12053	1.5
169.10089	1.7
172.08749	1.0
172.12430	8.1
187.11340	4.8
187.14789	100.0
187.22658	1.0
188.15108	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	187.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.5
57.07055	3.6
57.07304	0.7
67.05508	4.2
69.07055	3.0
70.61815	1.3
79.05486	5.6
81.07043	10.6
83.08599	3.0
83.57801	0.7
88.02216	8.3
91.05479	12.8
93.07019	8.8
95.04971	1.1
95.06068	0.8
95.08595	8.3
103.05479	1.7
104.99263	2.9
105.07026	22.1
107.08591	7.8
115.05463	2.0
116.06197	1.7
117.07006	22.0
119.08574	14.1
121.10107	0.8
128.06186	1.8
129.06978	5.6
130.07761	6.0
131.08562	49.2
132.09236	3.1
133.10117	4.3
141.06967	1.1
141.72533	0.9
142.07768	1.1
143.08548	20.0
143.09628	1.7
144.09352	5.7
145.10112	95.4
146.10460	1.5
157.10114	11.1
158.10905	12.2
158.24828	0.8
159.06976	2.2
159.11679	52.4
169.10043	1.1
172.08754	1.7
172.12431	8.2
186.22188	1.1
187.11273	5.2
187.14801	100.0
188.15163	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03946	1.0
54.11369	0.6
55.05509	2.8
57.07066	2.5
67.05504	5.0
69.07069	2.5
69.11864	1.2
69.12267	3.1
79.05483	6.6
81.07050	15.3
83.08618	1.4
88.02197	5.0
91.05470	14.4
93.07039	12.6
95.04969	1.6
95.08597	9.3
103.05464	0.9
105.07018	22.5
107.08581	9.3
109.10152	0.8
115.05433	2.3
116.06209	1.9
117.07009	19.1
119.08575	14.1
121.10127	1.2
128.06192	1.3
129.06995	6.9
130.07791	7.3
131.08553	43.1
132.09283	1.3
133.10158	3.9
133.11037	0.6
138.69264	0.7
143.08530	10.7
144.09341	4.6
145.10107	100.0
146.10403	1.6
157.10115	4.4
158.10896	6.1
159.06999	0.9
159.11676	32.9
160.12027	0.7
172.12439	3.2
179.09593	0.6
182.78651	0.6
185.13232	0.9
186.22157	0.9
187.11229	2.4
187.14796	81.7
188.15114	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
51.37252	0.8
55.05500	3.3
57.07063	2.1
65.24142	0.8
67.05506	5.2
69.07053	3.6
70.71775	1.1
79.05492	8.1
81.07054	14.4
83.08572	1.4
85.93490	0.9
87.11435	0.7
88.02213	2.2
91.05466	18.0
93.07034	15.2
95.04916	1.4
95.08587	9.7
103.05465	1.6
105.07018	24.7
107.08578	9.2
115.05456	1.3
116.06238	2.2
117.07008	23.1
119.08568	16.2
119.87977	0.8
128.06235	2.3
129.06976	7.7
130.07773	7.6
131.08557	60.4
132.09381	5.5
133.10109	5.5
133.23978	0.8
138.14536	0.8
143.08548	15.0
144.09370	4.8
145.10110	85.3
146.10414	1.9
157.10081	6.0
158.07191	1.1
158.10905	10.5
159.11685	43.0
160.12080	1.0
172.08868	1.6
172.12410	5.2
176.17589	0.8
176.28395	0.8
185.13399	1.0
187.11191	3.6
187.14799	100.0
188.15160	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.75627	0.6
53.75912	0.5
55.05487	0.6
57.07061	2.1
67.05490	1.9
71.41033	0.6
79.05483	1.3
81.07041	2.4
88.02177	1.5
91.05476	7.9
93.07033	1.5
95.04964	0.9
95.08604	0.9
101.65114	0.6
102.34153	0.6
105.07019	9.9
107.08553	1.2
115.05429	1.1
116.06214	2.6
117.07008	11.7
119.08561	4.5
128.06187	2.2
129.06972	4.3
130.07779	4.4
130.39023	0.6
131.08557	70.7
132.08879	1.3
133.10136	3.0
142.07779	1.0
143.08546	27.5
144.09363	6.7
145.10109	45.1
146.10403	1.0
157.10103	7.4
158.10901	24.9
159.11676	72.9
160.11983	2.0
172.08809	1.0
172.12456	4.5
187.11331	3.5
187.14798	100.0
188.15147	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	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40916	0.3
55.66772	0.3
71.32686	0.5
71.58699	0.4
72.47622	0.3
91.05481	4.0
113.57562	0.4
115.05440	6.3
117.05740	1.6
117.07008	4.3
118.06530	69.4
119.06854	1.4
127.05440	0.4
132.08069	0.7
142.06508	6.3
143.07295	12.1
144.04437	1.0
144.08075	24.2
145.06485	0.9
145.08467	0.5
146.05991	100.0
147.06331	2.2
155.06032	1.3
160.07582	1.2
160.55685	0.4
170.05984	8.5
188.07048	23.0
189.07498	0.5
191.37570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
58.08716	0.3
73.50671	0.4
80.71223	0.4
91.05463	4.4
102.09195	0.4
115.05440	6.2
116.18383	0.3
117.05735	1.6
117.06998	4.0
118.06528	70.1
119.06844	1.4
127.05477	0.4
132.08093	1.1
137.70094	0.3
142.06516	6.4
143.07295	12.0
143.59349	0.4
144.04459	1.2
144.08067	25.7
145.06441	0.9
145.08406	0.7
146.05989	100.0
147.06325	1.6
155.06007	1.1
160.07587	1.0
170.06000	8.8
188.07040	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	189.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89224	0.3
67.50055	0.3
70.34834	0.3
70.78860	0.3
70.82458	0.4
77.90921	0.3
96.34355	0.3
102.09926	0.4
115.67607	0.3
149.09837	0.3
188.06158	0.6
189.06973	100.0
190.07745	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	189.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43564	0.9
55.01857	1.3
55.05510	8.8
57.03431	2.6
58.70842	0.9
61.02906	1.1
67.05499	2.6
69.03430	2.7
70.68479	1.2
71.04984	2.1
74.73422	0.7
79.05483	1.1
81.07052	1.3
81.43222	0.8
83.04974	43.7
83.38342	0.8
84.05306	1.2
85.02898	100.0
86.03226	1.4
87.04480	1.0
91.05477	3.2
95.04994	0.9
95.08614	1.4
96.21118	0.8
101.06010	2.5
105.07005	6.0
107.08527	1.0
111.04435	20.2
115.05447	1.1
119.08580	6.9
127.03910	2.4
128.06245	1.7
129.05464	6.1
129.07034	2.5
132.08078	1.5
133.06468	1.7
133.10112	5.5
143.08536	1.6
145.10103	1.2
146.09639	1.4
147.08076	1.7
147.11688	2.7
156.09305	1.0
157.06465	1.3
161.05847	1.1
161.09657	3.6
161.13239	1.4
171.06505	13.7
171.11729	1.7
174.06770	2.0
174.10440	1.1
189.09053	6.0
189.12700	8.5
189.16341	4.5
190.15903	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	189.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.05500	29.6
56.86889	3.0
57.03420	11.0
61.02920	14.4
67.05495	7.1
69.03416	8.5
69.07062	9.3
71.04986	100.0
73.54646	2.9
75.04466	9.2
79.05479	6.7
81.07047	17.1
83.04975	87.1
83.08617	3.3
85.02895	68.5
86.09620	2.8
87.04450	16.3
91.05469	18.8
93.07028	9.8
95.08595	31.7
97.97366	3.4
101.05994	3.6
105.07018	60.8
107.08591	17.0
109.10130	6.3
111.04433	66.0
113.05984	6.0
115.03887	6.7
117.05457	7.3
117.07016	6.0
119.08560	49.9
121.10118	8.3
128.06174	8.9
129.05460	44.8
129.06938	23.9
130.07841	3.4
130.81334	2.9
131.08566	17.7
133.06511	4.9
133.10106	55.4
143.08521	9.3
145.10100	11.4
146.10934	4.1
147.08081	5.3
147.11662	46.0
156.09352	11.4
157.06435	10.8
158.07275	3.5
161.05971	4.6
161.09570	4.8
161.13239	13.5
171.06535	4.8
171.11615	20.2
174.06841	15.9
174.10393	4.1
189.09081	23.8
189.12700	38.4
189.16360	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65902	1.0
53.66616	1.0
55.05503	10.5
57.03417	2.2
61.02926	1.3
67.05492	1.3
69.03422	3.3
71.04986	2.8
71.43587	1.4
73.97482	1.1
82.66621	1.1
83.04469	1.5
83.04974	48.8
85.02898	100.0
86.03223	1.3
97.80794	1.1
98.79095	1.1
99.25395	1.1
102.55052	1.1
105.07018	1.9
110.28151	1.1
111.04429	22.9
119.08600	1.3
127.03867	1.8
128.06194	9.7
129.05531	6.4
129.06982	26.3
131.04906	1.1
133.10149	1.9
136.29895	1.0
145.06512	2.6
146.07288	3.1
157.06483	25.8
161.05908	1.8
171.06499	11.9
174.06734	11.7
189.09077	26.6
189.12692	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.112
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
53.36051	2.7
53.46149	2.5
55.01868	7.5
55.05506	32.6
55.34645	2.4
57.03151	3.6
57.03434	48.0
57.07072	86.3
61.02917	14.5
64.47886	2.3
67.05507	17.1
69.03426	14.0
69.07069	26.3
69.51878	12.4
71.01356	6.6
71.04986	6.3
71.08619	5.7
73.02912	18.0
79.05479	28.8
81.07054	42.8
83.04968	11.4
83.08626	15.2
85.02891	18.7
85.06538	42.5
87.08064	3.3
91.05473	10.6
93.07020	18.7
95.04952	4.9
95.08610	13.8
98.22742	5.2
99.08104	3.9
101.02374	3.6
103.03939	4.7
105.07014	8.0
107.08579	7.2
109.06492	6.6
111.04447	8.0
111.08083	14.8
119.08595	7.7
125.09624	4.4
127.07546	100.0
128.07915	2.7
129.09149	6.5
130.50011	2.8
133.10109	9.1
141.09084	6.4
146.75330	2.9
147.11615	3.8
153.09090	26.6
171.10153	6.4
179.39633	2.5
189.16377	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74018	0.2
55.01868	0.3
57.07059	1.1
58.15867	0.2
71.09480	0.2
71.99329	0.2
79.05513	0.4
90.01823	0.2
91.05475	6.0
93.21099	0.2
95.67106	0.2
103.05477	0.3
105.07000	1.3
107.04948	4.4
117.07014	0.9
119.08570	7.6
128.06203	5.4
129.06995	4.4
131.04935	0.5
132.05708	2.4
133.06526	1.1
145.06468	2.9
146.07260	4.9
146.08354	0.4
147.08034	100.0
148.08357	1.9
155.06044	0.9
157.07597	20.2
158.07968	0.4
159.08047	0.5
161.09579	0.3
174.10371	0.6
189.12723	59.6
190.13097	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30708	2.5
52.96827	2.2
63.76561	2.0
66.36392	2.1
70.30893	5.3
72.32056	2.3
91.05463	7.3
91.70911	2.8
97.53969	2.4
101.54042	2.0
118.64693	2.2
119.08547	7.8
128.06168	3.3
132.05669	2.1
133.10194	3.3
146.07237	3.6
147.08040	100.0
149.02380	3.1
157.07591	19.9
189.06920	9.2
189.12715	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94640	1.4
71.42946	1.4
91.05454	6.3
105.07013	2.7
106.96569	2.0
107.04938	4.4
116.20776	1.4
119.08549	13.4
124.97582	3.0
128.06238	3.7
129.06989	4.3
144.47331	1.5
145.06459	2.8
146.07190	4.3
147.08034	100.0
148.08386	2.7
149.02286	2.0
157.07594	20.5
189.06898	3.4
189.09038	2.6
189.12711	71.4
189.16345	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	0.7
60.19342	0.5
69.17767	0.5
70.32503	1.3
74.61355	0.4
77.37189	0.5
79.05441	0.6
83.27367	0.4
91.05470	5.7
98.00756	0.4
102.03806	0.4
105.07018	0.7
107.04951	3.4
110.34987	0.5
119.08576	6.2
128.06190	4.0
129.07005	3.7
131.04961	0.6
132.05688	1.5
133.06467	0.8
137.46205	0.5
145.05479	0.5
145.06491	1.6
146.07256	4.6
147.08031	100.0
148.08368	1.9
155.06042	1.1
157.07594	17.6
189.07098	2.4
189.12724	75.4
190.11261	0.5
190.13005	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
54.15941	1.0
55.05503	8.4
65.03934	1.1
67.05495	10.8
69.07064	5.8
71.71891	0.9
77.03903	1.0
79.05492	8.9
81.07050	39.4
83.08598	3.0
90.01770	1.2
91.05472	25.3
91.06052	1.4
93.07037	47.1
94.07386	1.2
95.04945	4.3
95.08598	60.6
97.10201	1.1
103.05466	1.5
105.04509	0.9
105.07017	51.6
107.08585	19.1
109.10146	19.0
117.07006	5.3
119.08565	74.5
121.10143	8.6
124.97578	1.2
128.06203	1.1
129.07007	1.2
131.08557	9.6
132.09274	1.0
133.10114	57.2
143.08507	1.9
145.10110	6.2
146.10796	1.4
147.08032	3.0
147.11668	34.1
149.02338	1.6
156.09326	4.1
160.12469	3.1
161.13229	15.5
171.11658	3.0
174.10394	1.3
174.13936	0.9
183.45567	0.9
189.09079	1.5
189.12720	12.2
189.16362	100.0
190.16699	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.98857	2.1
55.05502	8.6
67.05490	5.6
69.07072	11.2
70.65880	3.8
79.05492	4.3
81.07045	5.4
83.08625	5.7
83.68329	1.8
91.05483	11.0
93.07040	6.1
95.08599	28.3
105.07024	36.6
107.08585	13.6
109.10130	2.1
117.07067	2.2
119.08572	57.8
121.10130	3.9
127.49850	2.2
131.08546	9.3
131.32988	1.9
133.09169	3.8
133.10115	43.0
145.10130	11.0
146.10881	2.7
147.08047	3.6
147.11688	42.0
149.02338	2.5
159.11688	6.7
161.13225	6.4
174.14069	5.2
189.06920	8.3
189.09038	3.0
189.12712	6.2
189.16368	100.0
190.16772	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03932	1.2
55.05503	10.0
55.70241	0.6
57.07050	1.2
60.54087	0.7
65.03919	0.9
65.47574	0.6
67.05496	17.2
69.07061	6.6
70.99290	1.3
77.90271	0.6
79.05489	9.9
81.07048	45.2
83.08617	3.4
91.05465	24.6
93.07034	51.0
95.04962	3.2
95.08596	62.7
96.08916	1.3
97.10131	0.6
103.05464	1.0
105.04529	1.4
105.07016	55.6
107.08580	21.9
109.09422	1.1
109.10144	19.4
117.07018	3.0
118.07726	0.7
119.08565	81.0
120.08876	1.8
121.10135	8.3
123.11674	0.9
131.08546	7.6
132.09305	1.5
133.10114	70.3
134.10501	1.0
145.10109	7.2
146.10869	2.6
147.07973	1.0
147.11670	38.7
156.09329	4.9
159.11656	1.4
160.12462	4.1
161.13240	16.5
171.11668	2.9
189.06560	0.8
189.12769	8.6
189.16357	100.0
190.16719	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03957	1.5
55.05501	10.5
57.07077	1.1
67.05208	1.1
67.05504	11.8
69.07066	11.7
70.55634	2.2
79.05489	8.6
81.07052	37.4
83.08615	6.2
83.51727	0.9
90.01760	0.9
91.05480	16.0
91.19524	1.1
93.07033	13.1
95.08601	62.1
96.08926	1.2
105.07022	53.7
106.07377	1.2
106.96589	1.9
107.08588	23.3
109.10142	18.2
117.06983	3.4
119.08572	86.2
120.08972	1.2
121.10114	9.7
124.97628	0.9
131.08559	8.4
133.10117	71.1
134.10497	1.3
143.08554	2.1
143.63966	1.2
145.10106	7.4
146.10875	3.4
147.11668	44.7
148.12033	1.3
156.09280	2.6
159.11685	2.1
160.12477	3.7
161.13254	15.6
171.07945	1.2
171.11659	3.2
174.13953	1.9
189.06602	1.5
189.09067	1.7
189.12717	5.2
189.16367	100.0
190.16716	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03938	1.3
53.84111	0.5
55.05505	9.6
55.93464	0.6
57.03420	0.7
57.07061	0.9
65.03934	0.8
67.05159	1.0
67.05499	13.9
69.03423	1.1
69.07052	8.0
70.92146	0.9
71.04980	0.9
79.05482	8.6
81.07048	24.2
83.04958	0.6
83.08597	3.1
85.02891	1.2
91.05468	23.7
93.07033	15.2
95.04953	2.2
95.08591	42.6
97.10157	1.4
103.05439	1.9
105.04555	1.1
105.07018	69.1
105.78789	0.5
106.07341	1.1
107.04951	1.7
107.08578	18.7
109.06511	1.3
109.10144	23.4
110.10458	0.6
115.05408	2.0
116.98550	0.6
117.07000	4.3
118.07779	1.7
119.04954	3.3
119.08565	70.8
120.08881	1.5
121.06514	3.4
121.10123	7.4
123.11649	1.1
128.06198	5.1
129.06990	11.3
130.07730	1.3
131.04922	5.2
131.08556	16.1
133.06456	2.6
133.10112	47.3
134.10455	1.3
141.06964	0.9
142.07741	0.6
143.08563	3.7
144.05675	0.9
145.06456	2.6
145.10106	8.6
146.03693	0.7
146.06142	0.7
146.07248	6.7
146.10867	4.0
147.04298	0.9
147.06348	0.9
147.08047	4.5
147.11665	70.3
148.05107	3.3
148.11995	1.6
156.09331	5.5
157.06468	3.8
159.04384	0.8
159.08023	2.5
159.11690	2.5
160.08809	1.2
160.12502	2.8
161.05965	21.2
161.08211	1.3
161.09589	24.1
161.13232	21.2
171.08069	0.9
171.11649	7.5
174.06752	6.2
174.10338	3.6
174.14134	0.8
189.06567	1.2
189.09077	31.2
189.12723	19.7
189.16356	100.0
190.06253	1.3
190.09526	0.9
190.13052	0.8
190.16696	3.2
191.68991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99070	0.6
51.87056	0.4
52.07513	0.4
53.16395	0.4
53.76539	0.5
57.07070	24.7
59.99104	4.5
62.99070	0.5
65.03915	0.5
78.00145	39.7
84.08157	0.5
86.09188	0.7
86.09697	10.7
92.01664	1.0
107.64236	0.4
112.42057	0.4
116.05286	1.1
121.02831	0.7
134.06335	43.5
148.07860	4.3
149.02295	2.4
190.12581	100.0
191.12917	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.9
56.96552	3.7
58.26765	1.4
60.04535	8.0
61.01147	13.2
65.03922	2.4
65.48230	1.8
69.03418	2.6
69.59046	5.2
72.04511	47.2
72.93772	3.5
78.03784	23.8
79.05486	3.4
83.04964	2.3
86.06048	5.0
87.92743	1.5
89.03931	1.8
90.94782	2.1
91.05477	7.8
93.07047	3.9
95.04963	3.0
100.95421	1.4
102.03144	2.0
102.03766	28.7
103.02159	100.0
105.07021	6.9
107.04922	3.1
107.08588	5.8
109.06461	2.0
114.03779	13.8
114.05521	93.1
116.91241	1.5
119.08533	2.1
120.04795	73.7
120.08098	2.6
121.06458	2.8
121.10146	3.8
131.04893	3.0
131.06387	14.3
131.08531	4.4
131.97461	1.5
132.04788	20.1
132.95796	1.9
133.10101	4.3
135.04437	1.8
135.08076	5.1
135.11723	1.9
145.06464	1.5
145.10104	6.4
146.06070	1.9
147.17680	1.4
149.01212	3.7
149.07419	49.6
149.09525	3.5
149.96179	1.6
149.98450	1.4
150.96884	3.4
158.10852	2.3
160.05060	39.5
160.06386	2.1
163.03905	2.9
163.07497	2.3
167.97220	1.5
173.13257	4.9
174.05862	9.6
190.17937	2.0
191.03342	8.1
191.06847	3.4
191.08440	33.0
191.11928	11.1
191.14262	14.2
192.07658	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	191.1064
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03938	1.5
55.01861	2.6
55.05500	1.6
57.03407	1.2
58.44781	1.0
65.03921	1.1
67.05486	4.3
69.03404	3.8
71.04971	3.4
71.42777	1.5
79.05487	10.8
81.03401	1.2
81.07047	6.2
83.04971	2.1
91.05472	27.3
93.03364	0.9
93.07034	23.1
95.04948	10.3
95.08584	2.9
97.02885	3.7
103.05432	4.3
105.04507	1.2
105.07018	67.5
105.96013	0.9
106.07326	1.8
107.04918	5.2
107.08589	14.3
109.06497	3.9
111.04399	1.4
115.05423	6.0
116.06220	2.9
117.07008	30.3
118.07890	1.2
119.04944	1.3
119.08562	12.4
120.08076	1.1
121.06497	12.9
121.10133	8.4
123.08057	1.2
124.92236	0.9
128.06178	3.7
129.06992	9.2
130.07771	19.3
131.04875	1.7
131.08549	19.9
133.06476	100.0
133.10112	3.1
134.06836	1.7
135.08038	13.4
135.11697	4.9
143.08560	6.8
145.06433	1.8
145.10109	92.1
146.10492	1.4
147.08051	10.2
147.11682	1.7
148.08800	1.4
149.05937	2.3
149.09598	15.9
155.08533	4.2
158.07217	6.0
160.04988	1.2
161.09586	2.7
163.11176	11.5
173.09604	19.6
191.10625	71.2
191.14270	3.4
192.10976	1.2
213.20282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1065
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
55.05507	4.5
61.30106	2.7
69.03407	4.3
69.07065	5.0
69.71352	10.1
71.04995	3.5
78.20454	2.7
79.05485	9.0
80.05022	4.0
81.07055	9.5
83.04971	4.0
91.05464	21.7
93.07038	19.6
93.07519	3.0
93.21774	2.8
94.06561	3.1
95.04961	10.4
95.08588	5.5
105.07021	67.7
107.04974	6.5
107.08571	20.5
109.06564	3.2
109.10136	7.1
115.05434	5.3
117.07006	24.2
119.08552	12.0
121.06503	12.7
121.10133	16.4
129.06979	8.1
130.07780	14.5
131.08563	20.9
133.06476	100.0
133.10117	8.8
135.08054	12.1
135.11670	8.4
143.08575	5.4
145.10110	72.3
147.08028	10.9
149.09624	15.6
155.08592	3.1
158.07234	7.3
160.05019	5.5
163.11168	10.5
173.09610	13.5
173.13252	3.9
191.08211	4.0
191.10474	56.7
191.14232	14.9
191.17863	3.7
191.92218	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	191.1065
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03928	4.0
55.01852	5.7
55.05502	6.4
57.03432	11.7
57.07065	1.9
65.03925	2.7
67.05496	14.9
69.03410	5.1
69.07048	4.8
71.04993	6.7
71.41628	1.3
77.03917	3.3
79.05046	2.2
79.05487	38.2
80.04959	1.5
81.03413	13.5
81.07058	12.9
83.04971	6.8
85.06525	2.3
91.05475	70.3
93.07044	46.3
95.04964	36.0
95.08596	11.4
97.02890	3.7
97.06509	5.3
97.25713	1.4
99.04457	1.5
103.05465	7.4
105.03377	1.9
105.04495	3.5
105.07025	65.1
105.07731	3.1
107.04261	1.8
107.04950	26.0
107.08587	30.6
108.05724	1.9
109.02834	1.6
109.06535	8.1
115.05431	9.6
116.06212	4.3
117.07015	45.6
119.04865	2.6
119.05992	1.2
119.08569	17.8
120.08072	1.5
121.02811	2.1
121.06500	38.3
121.10130	10.2
123.04420	2.7
123.08050	3.0
128.06197	11.4
129.06995	21.9
130.07802	21.7
131.04919	6.4
131.08562	32.4
133.06479	13.8
133.10080	5.7
135.04465	3.0
135.08073	9.8
135.11690	8.5
143.08575	13.4
144.05634	2.3
145.06473	12.8
145.10115	89.8
146.05913	1.5
146.10493	2.0
147.08034	13.8
149.05954	3.5
149.09650	8.2
155.06049	1.5
155.08522	7.3
155.30708	1.4
158.07275	8.0
160.05037	2.1
161.09576	2.4
163.07484	3.2
163.11151	15.7
173.07201	1.4
173.09584	18.6
173.10904	2.7
173.13174	2.6
179.79752	1.6
184.98755	1.3
191.10603	100.0
191.14229	7.4
191.17848	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
50.01609	1.5
53.03934	3.8
55.01852	4.0
55.05489	4.9
59.94909	1.6
61.02905	1.5
62.43629	1.3
67.05473	6.9
69.03419	2.6
69.07045	2.7
71.04968	5.8
77.03951	2.2
77.59204	1.6
79.05480	24.2
81.03414	1.6
81.07044	11.3
83.04939	3.3
85.06538	1.9
91.05467	58.8
93.07036	26.2
95.04942	10.0
95.08566	5.2
97.06487	2.2
99.04445	1.6
103.05457	14.5
105.04448	2.0
105.07016	84.8
107.04962	10.6
107.08578	17.2
109.06458	4.1
110.06870	1.4
115.05430	10.5
116.06178	5.7
117.07005	41.9
119.04966	2.2
119.08582	14.7
121.06499	16.1
121.10149	7.6
128.06197	9.0
129.06970	16.0
130.07765	17.6
131.04903	7.0
131.08548	45.7
133.06471	49.1
133.10089	17.2
135.04347	2.4
135.08047	12.5
135.11618	6.3
143.08553	17.1
145.06425	6.5
145.10100	100.0
146.10516	2.5
147.08029	13.8
147.11620	3.5
149.05951	3.3
149.09599	18.5
155.06065	1.6
155.08559	7.5
158.07213	4.0
161.09586	6.9
163.11159	11.1
163.14757	2.3
173.08200	2.5
173.09595	37.3
173.13206	4.5
176.08405	1.6
191.10608	64.3
191.14258	12.4
192.87050	1.3
203.54010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1065
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03959	1.6
55.01863	2.5
55.05501	2.1
57.03407	1.4
65.03921	1.4
67.05508	8.1
69.03408	1.6
70.61694	1.5
71.04970	1.9
79.05488	18.2
81.03392	1.3
81.07037	2.7
83.04964	3.7
89.57764	0.9
91.05472	32.3
93.07037	9.7
95.04960	5.0
97.06532	1.2
103.05470	1.8
105.03413	1.3
105.07024	18.1
107.04951	8.4
107.08586	14.7
108.08975	0.9
108.19948	0.8
108.20671	1.0
109.06490	3.2
115.05417	2.0
116.06240	3.7
117.07011	16.8
119.08574	16.7
119.09408	1.2
121.06513	8.9
121.10131	4.7
128.06177	1.6
129.06989	10.5
129.19325	1.0
130.07764	5.3
131.08554	100.0
132.05602	1.6
132.08888	1.9
133.05086	1.1
133.06410	1.6
133.10101	1.5
135.04398	3.0
135.08038	3.3
135.11673	2.0
143.08545	2.3
145.06465	7.7
145.10109	50.9
146.10425	1.0
147.08032	14.7
147.11676	1.9
149.05969	3.9
149.09602	21.2
155.08571	4.7
158.07237	1.4
160.05051	67.6
163.07535	18.6
163.11168	8.8
167.07043	1.4
173.09612	25.4
173.13287	1.9
191.10649	75.3
191.14258	2.4
192.07652	12.0
192.11035	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	0.8
55.01862	1.8
55.05508	4.3
57.07045	1.2
59.04971	1.2
65.03934	1.1
67.05501	9.8
69.03429	7.4
69.07063	11.7
71.04981	3.2
77.03881	0.9
79.05482	8.3
81.07045	11.4
83.04964	6.2
83.08595	2.1
85.06533	3.1
91.05463	13.5
91.17879	0.8
93.07034	15.2
95.04948	8.9
95.08597	27.3
97.06522	16.6
103.05477	1.1
105.07015	30.8
107.04932	2.4
107.08577	26.5
109.06518	5.6
109.10171	4.5
111.08046	1.6
111.24065	0.9
115.05388	1.1
116.06215	1.4
117.06997	3.5
118.07754	1.4
119.08557	11.7
121.06488	11.5
121.10127	24.5
122.10562	1.0
123.08061	7.3
129.06998	2.5
130.07806	1.5
131.08549	29.4
132.05569	1.4
133.10112	100.0
133.52914	0.9
134.10420	1.6
135.08041	12.2
135.11693	6.3
136.08861	1.0
143.08534	8.5
144.09410	1.3
145.10109	11.7
147.08031	1.3
147.11670	14.0
148.08784	3.5
149.09610	13.4
149.13246	11.3
152.70702	0.9
158.10905	11.2
160.05046	36.2
161.09674	1.0
163.11099	1.3
163.14809	6.9
173.13248	46.3
174.13535	1.7
191.14284	69.7
192.07683	6.4
192.14594	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
54.41811	0.8
55.05510	4.9
57.03411	1.7
57.07049	1.2
58.09562	0.9
61.46937	0.8
65.03942	1.2
67.05497	7.7
69.03423	16.6
69.07059	8.1
70.47174	1.9
70.82325	1.1
71.34164	0.9
77.03933	1.0
79.05481	14.9
81.03394	1.0
81.07053	15.9
81.62257	1.0
83.04971	5.9
83.08610	2.2
91.05471	12.6
93.07037	12.0
95.04950	3.0
95.08583	6.3
97.06505	1.7
103.05424	1.1
105.07023	18.6
107.04957	7.9
107.08588	30.1
109.06495	3.2
109.10157	14.1
110.74440	0.9
115.05497	1.0
117.07027	4.5
119.08589	7.3
120.47039	0.9
121.06478	4.0
121.10137	21.5
122.07285	2.0
123.08041	3.5
129.06995	1.5
130.07793	1.4
131.04829	1.1
131.08551	16.6
133.10117	100.0
134.10440	3.3
135.08057	6.0
135.11668	5.8
137.09610	13.9
143.08527	3.7
144.09317	2.0
145.10110	10.0
147.11685	3.9
149.09570	6.0
149.13237	13.5
158.10913	8.2
160.05026	4.3
161.09631	1.1
163.14786	4.6
173.09698	1.0
173.13232	20.8
181.22913	0.9
187.89919	0.8
191.06795	1.1
191.10629	1.7
191.14290	38.7
191.17834	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01865	0.6
55.05512	2.4
57.03411	0.6
57.07068	0.6
61.94612	0.5
65.03913	0.6
67.05502	20.8
69.03430	1.3
69.07066	3.2
69.33945	1.3
69.34351	1.7
71.04987	7.0
77.03951	0.5
79.05479	5.9
81.07049	7.4
83.04962	0.8
83.08617	1.7
85.06528	1.7
91.05470	7.6
93.07026	6.7
95.04958	7.8
95.08591	6.9
97.06525	2.2
103.05453	5.4
105.03373	1.2
105.07025	16.3
107.04951	0.9
107.08581	9.3
109.06507	9.5
109.10149	100.0
110.10480	1.3
115.05444	1.4
116.06228	1.0
117.07030	2.6
117.89463	0.5
118.04144	2.0
119.08577	5.4
120.08105	0.9
121.06519	1.5
121.10126	10.0
123.08038	2.3
129.06989	2.1
130.04092	0.5
131.04932	3.8
131.08557	35.6
132.08876	1.1
133.06494	1.4
133.10130	8.4
135.08032	7.9
135.11717	1.9
137.09613	0.7
143.08606	2.8
144.09312	2.1
145.10120	8.3
147.08061	1.2
147.11659	4.8
148.05138	2.9
148.08827	0.6
149.01227	0.8
149.09621	5.8
149.13232	3.9
150.02644	0.6
158.10916	5.1
160.05049	0.7
161.09605	0.9
162.10390	0.8
163.07550	5.3
163.11118	0.8
163.14873	0.8
171.11687	0.8
173.13249	32.1
174.13611	0.9
176.04631	1.4
191.03394	2.2
191.07034	3.9
191.11922	2.8
191.14297	40.7
192.14703	0.9
198.50821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.8
57.07068	2.3
59.04976	0.9
67.05497	4.9
69.03419	1.9
69.07063	3.8
71.04990	4.6
71.43561	0.9
71.43951	1.0
75.26030	0.9
79.05492	8.0
80.04982	1.1
81.07046	5.6
83.04974	1.2
83.08599	1.7
85.06538	4.2
91.05473	15.6
93.07043	11.8
95.04964	4.1
95.08604	8.5
97.06526	12.2
103.05455	2.7
105.07024	38.1
105.07741	2.0
107.04929	2.7
107.08594	13.7
109.06509	3.7
109.10124	6.1
111.08085	1.6
115.05453	2.6
117.06985	5.2
118.07774	0.9
119.04864	1.0
119.08589	8.8
120.08101	1.1
121.06502	4.5
121.10128	11.0
123.08028	4.5
129.06996	3.3
130.07794	2.6
131.04916	2.0
131.08556	31.3
133.10121	100.0
134.10454	2.1
135.08043	8.8
135.11703	3.0
143.08537	5.9
144.09343	2.7
145.10117	18.0
147.11679	7.1
149.09628	3.2
149.13246	7.8
151.25520	0.8
158.10918	9.4
160.05074	4.9
163.07529	2.0
163.11212	1.8
163.14812	1.8
173.09532	1.6
173.13248	38.2
174.13556	1.0
191.06941	1.8
191.10390	4.5
191.12105	1.6
191.14296	31.5
191.17883	1.2
192.07582	1.1
212.59334	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03933	2.6
53.94793	0.9
55.01853	1.3
55.05515	7.8
57.07058	2.7
59.04967	1.1
62.04639	1.1
65.03942	1.8
67.05501	9.4
69.03422	34.6
69.07059	28.7
69.14548	0.9
70.35106	1.1
70.57016	1.4
71.04976	3.0
77.03899	1.9
78.76238	1.0
79.05483	17.3
81.07046	10.7
83.04954	7.0
83.08588	2.7
85.06528	3.9
91.05472	34.1
93.07037	16.2
95.04946	5.6
95.08594	16.9
97.06516	5.1
102.10472	1.0
103.05460	2.3
105.04498	1.6
105.07021	34.4
107.04946	4.8
107.08581	36.0
109.06503	12.4
109.10132	4.1
111.08070	2.7
113.86604	1.0
115.05425	3.6
116.06190	2.6
117.07020	11.9
118.06570	1.1
119.08567	24.1
121.06487	7.4
121.10130	27.8
123.08035	7.4
128.06158	3.1
129.06969	10.8
130.07751	4.9
131.04875	1.1
131.08559	41.7
133.06494	4.1
133.10121	17.3
135.07034	1.9
135.08038	29.5
135.11638	7.7
137.09583	2.0
143.08549	16.7
144.09299	3.9
145.06483	1.3
145.10104	27.4
147.08026	3.5
147.11697	9.8
149.05998	1.2
149.08466	1.5
149.09610	18.0
149.13252	11.6
156.09201	1.5
158.10893	16.7
161.09569	3.2
163.07486	2.8
163.11191	5.1
163.14793	4.9
171.11769	1.1
173.08339	1.1
173.09526	5.0
173.13243	42.8
174.13605	2.0
176.11954	1.3
191.10587	7.5
191.14285	100.0
192.14616	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02372	0.8
53.03940	1.5
55.01871	1.0
55.05503	5.2
57.03421	1.9
57.07068	1.6
58.19692	0.7
58.58924	0.7
59.05001	2.4
61.25728	0.8
67.05493	6.6
69.03430	3.5
69.07064	7.2
69.12109	4.7
71.04985	3.3
79.05489	9.7
81.07056	8.0
83.04960	3.8
83.08630	4.6
85.06548	1.6
91.05467	19.0
93.07038	13.3
95.04943	4.0
95.08604	9.6
97.06525	7.2
103.05406	0.8
103.57428	0.9
105.04515	1.2
105.07018	40.3
107.04977	1.2
107.08588	28.3
109.06516	4.7
109.10135	5.5
111.08053	1.8
115.05485	1.1
117.07014	5.4
118.07735	1.0
119.06087	0.9
119.08564	18.5
121.06506	5.8
121.10140	18.5
123.08089	4.3
129.07010	4.5
131.08562	41.4
132.05539	3.1
133.10117	95.5
134.10471	1.9
135.08043	14.7
135.11682	3.3
143.08543	9.9
144.09309	4.3
145.10114	19.8
147.07994	1.3
147.11670	10.3
148.08827	1.8
149.09602	8.5
149.12102	1.3
149.13248	19.7
158.10910	15.4
160.05049	100.0
161.09589	1.3
161.13338	1.0
163.11156	1.6
163.14833	3.3
171.11693	1.4
173.13249	52.9
174.13573	1.7
191.10603	1.5
191.14288	47.5
192.07671	16.1
192.14529	0.8
206.21475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.01862	1.8
55.05514	5.1
57.07068	1.2
67.05498	8.6
69.03416	10.7
69.06761	1.1
69.07059	12.0
70.59386	1.8
70.96261	1.1
71.04965	3.5
79.05486	8.9
81.07056	11.7
83.04979	5.1
83.08614	2.1
85.06531	2.0
88.30447	1.0
91.05457	16.0
93.07026	15.0
95.04963	9.5
95.08022	1.7
95.08595	23.1
97.06527	12.1
103.05444	3.7
105.07018	29.2
107.04948	2.5
107.08579	32.2
108.08891	1.0
109.06511	7.9
109.10139	3.3
111.08059	2.3
115.05434	2.1
116.06165	1.0
117.07016	2.4
119.05973	1.2
119.08575	13.4
121.05695	1.6
121.06494	13.1
121.10130	25.1
123.08067	9.3
129.07008	1.9
130.07744	1.3
131.04921	1.6
131.08551	31.4
132.05554	2.4
133.06470	1.6
133.10112	100.0
134.10458	1.2
135.08028	16.6
135.11670	8.0
143.08546	6.2
144.09288	3.0
145.10095	13.2
147.07961	2.7
147.11649	17.9
148.05153	2.1
148.08774	4.1
149.09605	10.7
149.13249	13.3
152.61063	1.1
158.10910	12.9
160.05042	44.4
161.09610	1.7
163.07477	1.7
163.11191	2.2
163.14853	6.2
171.11633	1.1
173.13242	48.9
174.13507	1.7
176.11934	1.5
189.60611	1.0
191.07054	2.4
191.14282	87.5
192.07623	5.7
192.14655	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05507	4.8
57.03413	1.0
57.07061	1.8
59.04957	1.3
63.86658	0.8
65.03947	0.9
67.05159	1.0
67.05492	8.5
69.03430	6.1
69.07063	10.5
69.64215	1.0
69.64561	3.1
71.04974	3.1
77.03894	1.2
79.05473	10.7
79.62469	0.8
81.07047	12.4
83.04983	4.8
83.08598	3.1
85.06528	2.9
89.24851	0.8
91.05467	16.4
93.07033	17.3
95.04957	9.8
95.08595	24.9
97.06525	13.4
97.10161	0.9
98.23375	1.8
102.04675	1.0
103.05468	8.0
105.07017	37.2
106.07339	1.0
107.04935	3.0
107.08580	29.9
109.06508	5.9
109.10145	6.8
111.08061	1.9
115.05449	2.8
117.07009	7.2
118.07832	0.8
119.08575	13.1
121.06473	9.1
121.10132	25.5
123.08075	6.4
123.11624	0.8
129.06998	3.7
130.07770	2.9
131.04930	10.7
131.08559	31.9
132.05573	2.4
133.06470	2.8
133.10115	100.0
134.10426	1.2
135.04373	1.2
135.08028	13.4
135.11665	9.5
143.08545	8.2
144.09306	4.0
145.06490	2.0
145.10097	19.9
147.04396	0.9
147.08070	1.7
147.11665	13.7
148.05150	2.8
148.08817	3.1
149.09612	10.6
149.13246	12.0
158.10907	13.3
159.04424	3.1
160.05051	63.0
160.37639	0.8
161.09544	2.0
162.10431	1.0
163.03867	1.2
163.07512	5.0
163.11140	3.1
163.14813	6.9
166.19969	0.9
171.11626	1.3
173.05936	1.1
173.13239	49.0
176.04648	11.3
176.11938	1.9
191.07002	18.9
191.10452	3.8
191.14290	68.6
191.17935	2.8
192.07668	9.7
192.14633	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02370	0.8
53.03932	3.9
55.01871	1.8
55.05505	11.8
57.03428	1.6
57.07068	4.1
59.04983	1.6
62.77978	0.9
65.03925	2.0
67.05500	12.8
69.03426	39.6
69.07061	8.8
69.36947	3.5
71.04989	1.5
71.32599	0.8
77.03920	3.4
79.05486	76.8
79.13837	0.8
80.05831	1.1
80.35255	0.9
81.03391	2.2
81.07050	63.2
82.07400	1.1
83.04977	17.3
83.08618	3.5
85.06533	2.8
85.80902	0.8
85.91775	0.8
91.05475	26.1
93.07040	25.1
93.11677	0.9
95.04965	12.0
95.08602	10.7
97.06537	4.6
98.43056	0.8
100.66755	1.0
103.05449	2.8
105.04513	3.0
105.07021	30.5
107.04945	35.8
107.08585	89.7
109.06502	9.1
109.10142	12.8
110.07262	1.8
111.08056	2.2
115.05429	2.0
116.06239	1.1
117.07030	3.9
118.04124	0.9
119.06051	2.5
119.08555	10.8
121.06494	13.1
121.10128	27.2
121.10984	1.8
122.07332	3.9
123.08046	5.3
129.06966	2.5
130.07742	1.0
131.08557	16.5
133.06471	2.3
133.10118	100.0
134.10480	1.7
135.08034	13.4
135.11674	4.6
136.08788	1.2
137.09607	24.4
143.08545	6.9
144.09306	1.8
145.10114	9.5
147.11685	6.7
149.09593	6.3
149.13242	16.0
158.10907	7.8
160.05074	1.1
161.09616	2.3
162.88658	0.9
163.07578	1.1
163.11166	1.1
163.14807	4.4
173.13231	23.6
185.53017	0.8
191.06886	1.1
191.14288	74.8
192.14653	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72595	0.8
55.01846	1.3
55.05500	3.6
55.49642	0.9
57.07058	1.3
61.40827	0.8
61.94796	1.0
67.05497	5.9
69.03423	2.1
69.07068	6.5
71.04999	6.7
79.05477	6.9
81.07055	8.7
83.04967	1.7
83.08623	2.1
84.37718	0.9
85.06523	3.7
91.05471	15.6
92.09106	0.9
93.07034	11.7
95.04969	5.5
95.08595	10.9
97.06519	14.1
103.05449	2.0
105.04499	0.9
105.07018	36.9
107.04918	1.9
107.08584	20.1
109.06500	5.6
109.10172	8.1
111.08052	2.8
115.05446	1.6
115.73393	0.8
117.07028	5.8
118.07765	1.0
119.08565	9.7
121.06465	4.1
121.10136	14.9
123.08042	5.8
123.11697	1.6
129.06987	2.4
130.07748	1.5
131.04880	1.5
131.08553	33.4
133.10118	100.0
134.10454	1.3
135.08037	11.9
135.11684	3.5
143.08527	5.4
144.09315	2.1
145.10126	15.1
147.11674	10.1
149.09602	3.5
149.13234	11.6
158.10893	10.9
160.05077	3.1
163.07516	1.1
163.14793	2.0
171.11674	1.3
173.13239	38.9
181.34923	0.8
191.06993	1.3
191.10507	2.2
191.14288	54.0
192.14737	1.5
212.43562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72075	0.9
53.16120	1.0
55.01872	2.5
55.05503	8.2
57.03429	1.3
57.07059	1.7
58.54369	0.9
59.04979	1.1
62.89203	1.0
65.03938	1.1
67.05503	16.3
69.03430	10.5
69.07064	10.9
70.11034	1.7
70.11382	2.1
71.04990	5.5
74.60268	0.9
76.55745	1.1
77.03866	1.3
79.05481	14.9
81.07052	12.5
83.04972	5.8
83.08622	4.9
85.06536	1.9
91.05470	18.8
93.07040	18.5
95.04972	14.9
95.08595	16.8
97.06521	6.2
98.23390	1.3
103.05438	5.5
105.07018	26.8
107.04967	6.2
107.08584	35.5
109.06511	15.2
109.10148	27.2
109.10883	1.6
111.08078	1.3
115.05454	2.7
116.06226	2.6
117.07018	9.4
119.08556	11.6
121.06507	16.5
121.10133	28.1
123.08044	9.0
128.06219	1.7
129.06999	4.5
130.07756	4.7
131.04915	3.6
131.08559	36.6
133.06473	5.7
133.09187	1.4
133.10123	21.0
134.12735	1.2
135.08041	37.1
135.09074	2.0
135.11659	7.9
136.08769	1.2
137.09583	1.6
143.08546	5.9
144.09296	1.9
145.06493	1.4
145.10110	27.9
147.08034	5.2
147.11656	12.1
148.05168	2.4
148.08832	4.6
149.05952	1.5
149.09621	17.2
149.13246	12.1
158.10890	9.7
160.05048	6.5
161.09567	3.2
163.07521	2.2
163.11185	2.3
163.14819	4.9
173.09602	3.5
173.13254	29.3
176.11960	1.6
191.03416	1.4
191.06999	2.9
191.10449	6.1
191.14294	100.0
191.17944	3.7
192.14642	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05505	4.2
57.07086	3.2
65.03926	3.6
65.35723	3.0
66.44864	3.5
66.45213	2.8
67.05502	18.3
69.07056	10.7
70.33799	5.3
71.04986	38.5
76.91906	2.9
79.05479	14.3
81.07047	15.5
83.04960	3.7
83.08627	4.3
85.06550	24.1
91.05473	29.2
93.07036	21.7
95.04966	15.6
95.08601	31.7
97.06529	35.6
98.23392	3.9
103.05440	8.9
105.07015	56.1
107.07921	5.4
107.08594	64.7
109.06523	21.0
109.10143	13.2
111.08057	8.8
117.07027	5.1
119.08602	21.0
121.06500	4.0
121.10136	89.5
123.08068	39.4
128.18939	3.0
129.07021	4.8
129.39626	3.2
131.04979	3.7
131.08556	49.5
133.10132	58.2
135.08032	38.5
135.11641	2.9
143.08534	13.5
145.10114	16.4
147.11673	38.4
149.09607	12.8
149.13254	34.9
158.10905	18.3
163.47255	3.1
173.13246	75.3
173.18596	3.4
176.10667	3.1
191.11772	5.5
191.12433	4.8
191.14290	100.0
204.78270	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	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05505	13.6
57.02224	2.5
57.07044	3.9
67.05498	13.2
69.06704	3.5
69.07057	37.5
69.59507	9.9
79.05489	15.0
81.07047	13.7
83.08615	12.8
88.38241	2.2
91.05450	9.2
93.06461	2.5
93.07033	46.8
93.67976	2.7
95.08591	69.0
97.10143	11.3
98.23412	3.0
103.64515	2.1
104.93248	2.5
105.07014	7.4
107.08584	60.9
107.73041	2.3
109.06545	2.4
109.10142	35.5
119.08510	3.4
121.10138	70.5
123.08118	2.6
123.11681	6.6
133.10088	3.3
135.11673	62.0
149.13240	12.8
155.29622	2.4
160.05031	5.0
169.03221	2.5
181.36942	2.3
191.11899	12.5
191.14314	6.2
191.17908	100.0
192.13725	4.0
210.98122	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05501	26.3
57.07062	6.2
61.98112	2.6
62.42833	2.6
67.05501	22.0
69.07056	34.0
71.26248	3.4
79.05486	24.4
80.05022	4.0
81.07047	30.3
83.08593	17.7
86.01398	3.1
91.05477	15.6
93.07032	73.1
95.08025	3.9
95.08599	57.1
97.10172	15.1
101.98624	2.3
103.13165	2.4
105.07014	8.3
107.08583	89.4
109.06604	2.6
109.10139	56.2
109.10879	3.3
117.64201	3.2
119.08550	3.4
120.08121	3.6
121.10133	77.4
123.02174	2.4
123.08039	2.6
123.11727	12.6
131.08572	3.0
133.10095	4.0
135.08093	4.0
135.11681	100.0
145.10143	3.5
146.05998	3.3
149.13245	26.4
160.05110	4.2
163.14780	4.0
177.83722	3.0
191.08270	3.4
191.11852	19.7
191.14265	26.0
191.17921	85.8
191.82547	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	192.0767
Annotation	Carbendazim
Peak:m/z	Relative Intensity
61.48611	0.2
69.57916	0.8
78.61153	0.2
85.27060	0.2
92.04984	0.5
105.04506	0.3
117.02170	0.2
129.69824	0.2
132.05560	2.7
133.06352	0.4
135.05516	0.5
160.05043	100.0
161.05438	1.7
192.07658	18.7
193.07912	0.3
209.54312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03943	1.1
55.01865	4.1
62.36621	0.9
65.03937	1.0
67.05489	1.3
77.03933	1.5
79.05484	15.2
81.03406	1.8
81.07046	1.4
89.03944	1.1
90.04690	2.6
91.05463	4.5
93.07043	1.2
95.04962	4.4
95.08595	1.2
103.05457	17.6
105.03363	0.9
105.04530	1.7
105.07023	100.0
106.07324	1.9
107.08533	1.5
109.10160	1.4
115.05447	22.7
118.04158	12.2
119.08543	2.1
131.04945	4.9
132.05698	1.7
133.02846	2.4
133.06483	86.4
133.10086	1.4
134.06851	1.3
135.11639	1.5
137.09633	1.2
143.04944	1.9
143.06038	9.1
161.05965	85.0
162.06339	2.6
193.04961	6.5
193.06786	2.0
193.08414	7.2
193.12152	2.2
193.15944	1.1
194.15398	4.2
196.68271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.75581	1.5
54.06927	1.4
55.01855	3.5
55.05510	12.4
57.03412	5.1
57.07071	3.2
59.04994	3.1
67.05495	12.9
69.03416	10.1
69.07048	5.7
71.04993	8.1
77.03863	1.7
79.05479	22.1
81.07050	23.0
83.04978	7.5
83.08605	5.6
85.06540	4.0
90.40524	1.4
90.42173	1.8
91.05474	35.8
93.07042	21.2
95.04966	11.6
95.08601	23.1
97.02888	12.5
97.06510	13.3
103.05432	3.8
105.04498	2.2
105.07022	100.0
107.04945	4.7
107.08583	35.7
109.06509	38.8
109.10170	9.2
115.05412	4.4
117.07014	10.4
119.04928	2.6
119.06063	1.9
119.07742	3.4
119.08570	56.5
120.08928	1.6
121.06493	43.7
121.10141	8.7
123.04383	2.7
123.08056	11.1
123.11690	5.0
125.05946	4.4
129.06989	6.3
131.08574	11.7
132.09282	2.6
132.73418	1.6
133.06473	5.5
133.10112	32.1
135.08054	17.4
137.05962	8.9
137.09605	14.2
140.25655	1.6
141.06902	3.0
142.07777	15.0
145.06476	1.7
145.10098	11.4
146.07251	3.5
147.08029	5.9
147.11673	58.9
149.09607	10.0
151.07555	3.6
151.11185	9.4
152.95778	1.6
157.10100	16.2
160.08826	7.3
163.11099	2.5
165.12697	9.8
175.11169	59.9
193.12228	53.4
193.15965	2.3
194.15411	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.86809	3.2
53.03943	6.1
53.87865	3.8
55.01871	6.9
55.05244	3.4
55.05496	16.7
55.26653	3.2
57.03434	93.0
67.05503	30.3
69.03424	4.5
69.26769	17.7
79.05469	26.6
81.03407	18.1
81.07056	20.6
83.04944	5.7
85.06522	6.8
91.05476	61.2
93.07038	61.2
95.04964	28.8
95.08602	19.9
97.06510	7.3
105.04531	4.5
105.07021	73.6
107.08587	19.7
109.06516	10.7
109.10161	21.4
117.07010	8.1
119.04945	6.3
119.07741	8.5
119.08570	100.0
121.06496	57.6
129.06990	8.4
131.08562	8.8
133.06453	11.4
133.10118	67.8
135.08006	9.2
135.11647	5.9
137.09610	50.8
141.45529	4.2
142.07736	8.6
145.06439	4.3
146.07217	9.7
147.08015	17.0
147.11676	56.0
149.02319	4.5
157.10126	11.6
160.08791	9.7
161.05383	8.8
175.11188	60.4
175.14847	7.8
193.04926	5.1
193.08340	4.3
193.09999	7.8
193.12195	26.0
193.13974	6.2
193.15845	6.6
194.15410	23.4
207.11618	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	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25592	0.8
53.03934	1.3
55.05507	14.1
57.03437	2.0
57.07077	4.3
59.04993	4.5
60.06446	0.8
65.03928	1.0
67.05498	33.0
69.03416	1.4
69.07071	6.1
69.34570	3.2
71.04983	1.9
77.03904	0.9
79.05490	9.6
81.03408	1.3
81.07054	16.2
83.04960	3.4
83.08612	3.4
85.06538	25.4
91.05461	11.9
93.07038	24.3
93.88450	0.8
95.04964	4.5
95.08595	19.2
95.66927	0.9
97.10136	1.1
99.08086	100.0
102.83235	0.9
105.07026	10.3
107.04943	1.0
107.08582	20.7
109.06509	5.9
109.10146	58.9
110.10473	1.0
111.08085	1.7
119.08574	12.0
121.10131	5.9
123.08075	5.4
123.11694	7.2
124.25539	0.9
125.09577	1.0
125.13241	1.1
133.06508	1.6
133.10127	16.4
135.11685	26.8
137.09601	20.8
138.10306	1.3
147.11734	2.3
149.02187	1.5
149.13313	1.1
151.11182	7.6
151.14822	1.2
160.05032	5.0
161.05417	38.3
165.16397	2.7
175.14806	7.4
182.33969	1.0
193.04956	1.3
193.08058	7.2
193.15874	59.9
194.16138	1.9
198.52917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03929	0.9
55.01871	0.9
55.05505	15.7
57.03415	1.3
57.07071	5.5
59.05001	5.5
65.03924	0.9
67.05498	33.0
69.03420	1.1
69.07064	11.0
69.44929	2.8
71.04975	1.7
79.05482	13.2
81.07053	19.9
83.04975	5.0
83.08636	3.8
85.06535	25.5
91.05470	7.1
93.07040	23.8
95.04965	4.6
95.08595	20.3
97.10162	0.9
98.23466	1.5
99.08086	100.0
100.08378	1.0
105.07021	10.5
107.08587	25.0
108.08949	0.8
109.06522	7.7
109.10147	67.0
111.08065	2.1
119.08580	11.3
121.02789	1.1
121.10136	7.7
123.08055	9.7
123.11693	7.2
125.09631	1.1
131.23746	0.9
133.06490	3.2
133.09178	1.4
133.10126	18.9
135.11679	29.1
137.08582	1.4
137.09608	20.9
138.10371	1.4
147.11668	1.7
149.02333	2.8
149.13182	1.7
151.11177	8.5
151.14789	1.5
160.05014	2.9
161.05380	19.1
161.76604	0.7
165.16388	3.9
175.14798	7.6
193.08081	3.1
193.15863	66.9
194.16228	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17477	2.6
54.97418	2.4
55.05509	18.4
57.07053	5.4
59.04994	6.8
67.05501	35.2
68.99767	4.4
69.07043	9.3
70.20232	4.4
70.20548	2.5
79.05483	14.7
81.03410	3.5
81.07054	19.8
81.64445	2.4
83.04977	3.8
83.08585	4.0
85.06537	25.9
91.05456	9.8
93.07030	23.9
95.04945	6.0
95.08606	26.8
97.06528	2.7
98.22786	2.2
99.07446	5.4
99.08088	100.0
105.07037	22.4
107.08588	27.0
109.06492	9.8
109.10148	70.0
111.08074	3.4
115.05425	5.0
119.08552	15.9
121.06467	2.5
121.10135	8.8
123.08059	10.3
123.11697	6.9
123.57220	2.6
131.08496	2.3
132.60208	2.4
133.06497	9.5
133.10117	21.0
135.11687	33.6
137.09607	21.5
138.10394	3.5
147.11635	4.0
150.03087	3.8
151.11197	7.3
160.05077	5.7
161.05325	17.6
175.14772	13.5
178.02661	4.0
193.04965	5.5
193.08150	4.9
193.12154	4.8
193.15865	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.28841	2.0
55.05511	23.5
57.03445	2.7
67.05492	18.1
68.05013	2.3
69.07056	11.3
70.35416	4.6
71.04986	8.4
75.33884	2.2
77.03951	3.0
79.05479	10.2
80.51606	2.1
81.03416	2.4
81.07050	25.6
83.04512	4.4
83.04972	39.1
85.06539	10.3
91.05453	21.2
93.07041	32.1
95.04937	6.4
95.08607	30.8
97.06515	4.8
99.08073	6.0
103.05436	4.9
105.07020	48.4
107.08583	50.6
109.06513	14.5
109.09428	3.1
109.10150	44.6
114.28016	2.9
115.05413	3.4
119.04919	6.6
119.08580	40.5
121.02864	5.0
121.10165	16.0
123.08076	18.4
123.11739	11.4
125.09617	2.5
129.67151	2.4
131.04939	3.0
133.06520	17.1
133.10120	55.4
133.11136	2.9
134.04718	4.7
135.11682	70.6
137.05963	7.2
137.09650	16.9
139.30144	3.0
147.04407	8.7
147.11674	7.6
149.13229	6.8
150.03108	45.8
151.11171	6.0
151.14801	9.6
156.51289	2.3
161.02295	3.4
161.06075	18.2
165.01869	3.2
165.05476	4.2
165.16438	3.7
175.11220	2.9
175.13380	4.0
175.14818	55.1
178.02608	49.2
179.79678	3.0
193.01270	3.9
193.04939	52.6
193.08545	12.8
193.12251	3.8
193.15858	100.0
194.15350	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.64074	2.0
53.03929	3.6
55.01856	2.7
55.05507	24.9
57.03420	2.2
57.07061	7.0
59.04996	3.5
66.75264	1.5
67.05500	35.6
69.03431	11.1
69.06713	2.0
69.07063	30.1
70.96967	2.0
71.04972	5.3
79.05484	18.7
81.03403	2.2
81.07054	37.7
83.04980	19.2
83.08613	10.9
85.06530	9.6
91.05470	21.6
92.81856	1.7
93.07041	27.2
95.04955	10.0
95.08601	53.6
95.09212	2.9
97.06511	9.2
97.10158	3.7
99.08090	10.5
100.58118	1.9
103.05444	6.1
105.07025	52.0
107.08583	46.5
109.06506	31.9
109.09418	3.1
109.10149	61.9
111.08070	7.4
111.11697	2.2
115.05457	4.6
117.06990	4.5
118.04129	3.0
119.08575	100.0
121.10135	25.1
123.08058	40.3
123.11699	10.6
125.09563	3.0
131.08519	3.4
133.02838	3.9
133.06467	17.6
133.10118	54.6
135.11684	74.3
137.09601	33.6
138.10336	2.8
145.10152	2.4
147.11665	34.2
149.13232	13.0
151.11171	11.4
151.14790	7.3
157.50934	1.7
160.31735	1.9
161.05989	19.0
164.64134	2.1
165.12697	2.2
165.16383	3.0
173.54222	1.9
175.11264	8.2
175.14799	48.4
179.06017	1.7
193.08595	7.2
193.12239	6.1
193.15865	88.8
194.15327	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	193.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67332	4.2
56.96560	100.0
57.97980	3.7
71.95258	5.9
72.96051	5.1
75.66919	3.4
85.02894	5.7
94.93005	17.4
98.97581	5.2
116.98561	5.8
135.11668	3.9
137.94197	4.2
142.96562	7.3
149.06070	4.4
160.97618	12.3
161.01192	4.4
170.99716	5.0
176.09134	4.5
188.97038	21.9
189.00664	13.5
193.99794	17.1
194.08102	4.6
194.15381	25.4
206.98143	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0813
Annotation	Cerpegin
Peak:m/z	Relative Intensity
67.05495	3.7
70.30061	1.9
72.95550	0.9
79.05492	2.3
79.56015	1.0
80.05001	2.0
81.07031	2.5
84.87438	1.0
91.05453	2.7
93.07026	2.7
94.06561	5.0
95.03697	4.1
95.07374	1.3
95.08589	1.1
106.04111	1.0
106.06532	4.2
108.04465	6.5
108.08114	1.6
118.03553	1.1
119.05017	1.2
120.04447	1.3
121.05224	1.3
121.06486	7.1
122.02384	1.7
122.06026	27.6
123.06798	9.6
133.10091	1.4
134.06020	4.0
135.08040	1.1
135.11647	1.0
136.03932	12.9
137.08345	6.3
138.09172	6.4
146.02382	1.9
148.07547	2.2
148.97380	1.4
149.05995	9.3
151.06282	43.4
152.06657	1.0
159.11693	2.1
164.03424	10.7
166.08633	100.0
167.07016	3.0
167.09004	1.5
176.07057	1.1
179.05771	2.0
194.08125	98.1
194.15379	31.5
195.06567	1.9
195.08488	1.8
205.19057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1175
Annotation	Dihydrostrobiline
Peak:m/z	Relative Intensity
57.40895	1.1
59.54324	1.1
60.35197	1.0
67.05495	2.1
69.43697	4.3
75.45372	1.2
78.83897	1.1
79.05477	1.9
81.07034	2.7
85.06936	1.0
93.07014	2.7
99.97406	1.1
107.07339	6.8
107.08554	1.5
107.96843	1.0
121.08887	2.4
121.10229	1.1
134.06012	37.9
135.11676	2.6
146.57430	1.2
148.07539	1.9
149.05972	4.2
150.05470	6.4
151.06276	100.0
152.06493	1.1
159.11713	2.8
164.07094	2.0
165.06984	1.3
166.08626	77.5
167.08669	3.1
177.07004	5.2
179.09424	55.5
180.09853	1.4
194.11766	90.6
194.15375	31.7
195.08035	3.4
195.12024	2.0
214.92863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.27722	0.5
55.01842	0.5
63.02367	1.0
65.03926	0.5
78.04703	1.1
79.05521	0.6
87.15826	0.5
88.48238	0.5
89.03909	32.2
91.05482	2.8
93.03365	0.5
95.04958	0.9
98.23506	1.2
103.05447	1.8
106.04163	2.1
109.83531	0.5
114.67782	0.6
115.50737	0.5
117.03368	60.2
118.03738	1.1
119.04975	0.6
121.06493	1.3
124.05236	0.6
125.05938	0.8
134.03627	9.5
135.04399	6.5
145.02837	93.0
146.03157	2.2
149.05965	24.5
150.06265	0.7
153.05446	0.8
162.03160	2.4
163.03883	8.2
177.05455	100.0
178.05785	1.9
186.05623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
64.90059	0.6
65.03945	0.8
68.02353	0.6
69.47739	2.3
69.51540	0.6
78.04712	1.3
87.19688	0.6
89.03909	31.1
89.04461	1.6
90.04226	0.7
91.05478	3.6
92.94206	0.7
93.03412	1.4
95.04995	0.7
103.05456	2.0
104.55663	0.6
106.04170	2.5
117.03369	54.4
118.03705	0.7
121.06514	1.2
134.03615	10.0
135.04428	5.2
145.02835	100.0
146.03207	1.6
149.05975	25.8
149.07201	1.2
162.03111	2.7
163.03899	9.8
177.05455	95.2
178.05804	1.6
178.07297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
51.95071	0.4
63.02368	0.8
65.03942	0.9
65.17439	0.5
65.80769	0.5
66.69425	0.5
70.57135	0.6
78.04710	1.0
79.05502	1.0
89.03909	25.8
91.05479	3.2
92.15262	0.4
93.03399	0.8
93.07041	1.0
94.87025	0.5
95.04974	1.3
96.64185	0.4
103.05457	1.1
105.03355	0.4
106.04163	2.5
107.04950	1.1
111.04446	0.6
116.37172	0.4
117.03370	53.3
118.03728	1.0
119.04926	0.5
121.06496	1.3
124.05152	0.5
125.05965	1.4
133.82069	0.5
134.03624	8.2
135.04404	7.0
145.02832	94.4
146.03174	1.7
149.05968	22.3
153.05429	1.6
162.03073	2.7
163.03894	8.6
167.08488	0.6
177.05450	100.0
178.05833	2.4
186.05522	0.7
195.08054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
51.02367	0.5
63.02370	0.9
64.56938	0.4
65.03925	0.4
67.05486	0.8
69.14225	2.0
74.32434	0.4
77.03909	0.6
78.04704	1.6
79.05472	1.1
89.03909	29.1
91.05470	3.9
93.03399	0.8
93.07026	0.6
95.04964	0.9
95.08617	0.4
103.05457	1.0
106.04177	2.1
107.04964	0.8
110.94901	0.4
111.04445	0.5
117.03367	53.8
118.03684	0.9
119.04895	0.7
120.62659	0.5
121.06497	1.0
134.03618	8.2
135.04413	6.2
145.02834	86.4
146.03145	1.4
147.39059	0.5
149.05965	22.5
150.06314	0.6
153.05417	0.5
162.03107	2.8
163.03894	8.7
176.84911	0.4
177.05453	100.0
178.05836	2.6
186.05415	0.4
192.49757	0.4
195.02936	0.8
195.06485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
58.32232	0.5
63.02368	1.1
65.03931	0.6
65.73733	0.4
67.38979	0.4
68.77287	0.4
69.31922	2.0
70.94081	0.4
72.64281	0.4
77.03931	0.6
78.04702	1.3
79.05484	1.1
81.07052	0.7
89.03910	30.4
90.04210	0.4
91.05462	3.2
93.03402	0.7
93.07027	1.2
95.04964	1.2
95.08659	0.5
103.05456	1.1
105.06992	0.5
106.04182	2.0
107.04952	1.3
107.08579	0.8
111.04450	0.6
117.03371	57.4
118.03644	0.8
119.04911	1.0
121.06486	1.4
121.10162	0.6
124.05232	0.5
129.04465	0.7
131.96208	0.4
134.02585	0.6
134.03613	9.6
134.04568	0.8
135.04401	7.4
135.11682	0.6
145.02837	98.3
146.03154	2.1
147.04370	0.6
148.97395	0.6
149.05968	25.8
150.06287	0.5
153.05350	0.5
159.11642	0.5
162.03082	2.3
163.03880	9.7
172.19487	0.4
177.05457	100.0
178.05988	2.6
186.05481	1.2
194.15372	0.8
195.06453	1.0
195.11734	0.4
195.15678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
56.19818	0.5
63.02364	0.7
65.03929	1.3
67.05495	1.7
68.99788	1.3
69.07063	0.7
69.25803	0.5
69.70484	2.2
71.04971	0.8
72.83015	0.6
76.52352	0.5
77.03929	0.5
78.04697	0.9
79.05489	1.6
79.67377	0.5
81.03410	0.5
81.07050	1.5
85.77977	0.4
89.03909	26.0
91.05467	4.3
93.07038	2.7
95.04955	1.6
95.08614	0.9
103.05463	1.2
106.04157	2.7
107.04942	1.4
107.08572	1.2
109.10146	1.3
111.04493	0.9
117.03371	49.1
117.07027	0.9
118.03662	0.9
119.04924	1.1
121.02843	1.5
121.06477	2.0
121.10129	1.0
123.08046	1.9
126.95113	0.5
134.03627	8.4
134.05898	0.6
135.04405	7.9
145.02835	93.4
146.03189	2.7
149.02321	3.1
149.05966	20.1
150.06305	0.6
151.07541	4.7
153.07384	1.5
153.09209	0.5
162.03120	2.4
163.03897	9.3
177.05455	100.0
178.05818	2.9
186.05449	1.0
194.15422	0.6
195.02823	1.5
195.06387	0.5
195.10185	0.9
195.13898	0.8
195.17387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
55.01856	0.5
62.01582	0.5
63.02367	0.8
77.03909	0.4
78.04701	1.2
79.05486	0.6
79.47247	0.3
81.07055	0.6
89.03911	29.1
90.04251	0.6
91.05465	3.9
93.03381	0.4
95.04948	1.2
96.17133	0.4
97.06516	0.5
98.23431	0.9
103.05465	1.0
106.04165	2.8
107.04958	0.9
109.06474	0.4
110.09064	0.4
110.42746	0.4
116.54472	0.4
117.03370	54.6
118.03709	0.6
119.04930	0.6
121.06493	0.9
124.05183	0.5
125.05914	0.4
129.04459	0.6
131.20494	0.4
134.03624	8.4
135.03470	0.5
135.04413	6.1
145.02834	94.3
146.03110	2.3
149.05963	21.9
150.06308	0.7
153.05461	0.5
162.03127	2.6
163.03896	9.9
168.13786	0.5
177.05452	100.0
178.05775	2.9
186.05475	1.0
195.06496	0.8
209.55663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03949	0.6
55.01881	0.5
55.05494	0.7
57.07073	0.6
63.02357	0.8
64.52365	0.5
67.05501	1.3
68.96329	0.9
68.99783	0.7
69.03433	0.9
69.07060	1.3
69.11690	3.4
69.96173	0.9
76.53873	0.6
78.04703	1.2
79.05483	2.9
81.03394	0.6
81.07048	3.4
85.06570	0.5
88.36180	0.5
89.03909	25.2
90.04219	0.7
91.05489	3.8
93.07032	2.7
95.04983	1.5
95.08607	1.9
98.61596	0.5
99.08107	0.6
103.05486	0.9
106.04176	1.9
106.92156	0.5
107.04958	2.0
107.08601	1.6
109.98959	0.8
111.04433	1.2
117.03371	51.0
117.07043	0.8
118.03696	0.9
119.04925	0.6
121.02878	0.8
121.06508	1.7
121.10114	1.3
121.93337	0.5
123.04442	0.6
124.05224	1.0
130.96268	1.7
131.96136	1.2
134.03622	7.7
135.04401	7.8
135.11678	1.4
137.05939	0.6
145.02835	92.4
146.03192	2.3
148.97359	2.7
149.05965	23.4
149.97212	2.9
152.04701	1.5
153.05415	0.9
153.97862	1.6
159.11673	0.8
162.03098	1.8
163.03908	10.8
164.04361	0.6
165.06912	0.8
165.70898	0.5
167.07095	2.5
167.08287	0.6
170.88820	0.6
171.98952	1.7
172.98872	0.8
176.14459	0.5
177.05455	100.0
177.12671	1.2
178.05775	2.7
186.05475	1.9
194.15352	3.9
195.06497	3.3
195.07951	1.0
195.11736	1.1
195.13861	1.2
195.15707	2.7
196.16907	0.9
209.65878	0.5
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	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.01849	0.7
55.05511	0.8
67.05491	1.2
68.96339	1.1
69.07089	0.7
69.96181	1.2
78.04708	0.7
79.05489	2.1
81.07051	3.0
89.03913	22.8
89.06017	1.1
91.05479	3.7
93.07013	3.1
95.04994	1.0
95.08594	2.3
103.05447	1.0
105.04500	1.0
105.07033	1.3
106.04171	1.3
107.04940	2.7
107.08595	2.1
109.10113	1.0
109.98966	1.2
111.04448	1.2
111.08086	0.6
114.32145	0.6
117.03371	45.2
118.03653	1.6
121.06517	1.3
121.10111	1.8
123.04422	0.7
123.08003	0.6
124.05211	0.8
130.96291	1.8
131.96135	3.7
133.10117	1.0
134.03596	5.9
135.04402	8.0
135.08022	1.4
135.11659	2.2
137.05963	0.6
145.02837	91.5
146.03215	1.7
148.97360	3.5
149.05971	21.4
149.13222	1.0
149.97218	6.0
152.04688	1.7
153.97888	1.1
159.11778	0.6
162.03105	1.4
163.03902	10.4
163.07494	1.0
167.07060	4.9
171.98988	2.0
172.98769	1.3
177.05455	100.0
178.05820	2.4
186.05479	2.4
194.15369	4.1
195.06458	3.6
195.08128	0.6
195.11598	1.2
195.15669	2.1
196.16960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	Silvaticol
Peak:m/z	Relative Intensity
51.02369	1.5
51.98372	1.4
55.05491	2.4
57.07081	1.8
59.55042	1.3
65.03922	2.2
67.01850	3.3
67.05498	9.3
68.96326	2.5
68.99789	11.4
69.07046	3.1
69.96159	1.5
71.04979	2.8
78.04682	5.3
79.05087	2.2
79.05481	17.6
81.03391	3.4
81.07058	8.4
83.04999	2.5
85.02866	2.3
85.06522	2.1
89.06005	2.9
91.05459	6.5
93.03395	3.9
93.07042	7.1
95.04969	10.2
95.08575	3.9
96.05724	3.2
99.33214	1.6
105.04498	3.3
106.04141	1.7
106.62037	1.9
107.04942	14.0
107.08571	4.9
109.06511	2.7
109.98929	2.4
111.04449	15.9
111.08062	2.0
117.03387	2.0
117.06993	1.4
119.04936	3.7
121.02858	16.9
121.06495	7.4
121.10120	2.8
123.04427	11.0
123.08058	1.7
124.05189	3.6
125.05984	2.0
127.03910	5.4
130.96281	4.5
131.96104	3.6
133.10098	1.9
135.04410	12.0
135.08070	1.4
135.11682	4.2
137.02347	4.8
137.06001	2.5
137.09654	1.7
138.06735	1.9
139.07558	3.4
145.02870	3.4
148.97365	4.6
149.06003	8.1
149.13312	2.1
149.97151	4.5
152.04680	46.5
153.05432	8.9
159.11638	2.2
163.03882	13.9
165.01866	3.1
167.07030	100.0
167.14499	1.4
171.98914	4.4
172.98633	2.2
177.05389	3.6
177.12813	1.6
181.04974	3.3
194.15359	9.7
195.06505	89.7
195.07787	3.6
195.11638	4.2
195.13763	2.2
195.15656	6.2
196.07138	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	195.0651
Annotation	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02374	1.1
51.45639	0.9
53.03935	1.4
53.63047	0.8
55.01865	1.7
55.05485	1.2
65.03927	3.6
67.01859	4.7
67.05492	3.4
68.96313	1.0
68.99782	13.4
69.03410	1.2
77.03899	1.2
78.04701	7.2
79.05488	13.5
81.03397	2.3
81.07040	4.1
85.02869	1.8
89.06024	2.0
91.05463	8.4
91.97494	0.8
93.03403	3.7
93.07037	3.6
95.01284	1.6
95.04964	11.1
95.08587	2.0
96.02116	1.3
96.05740	2.6
97.02875	1.0
97.06544	1.1
105.04523	1.9
106.04140	2.5
107.04948	13.1
107.08589	1.8
108.05711	1.0
109.02834	1.6
109.06494	1.5
110.07278	0.9
111.04446	17.7
111.08086	1.8
119.04929	1.9
121.02860	20.6
121.06509	7.2
123.04417	11.0
124.05218	4.9
125.05977	2.3
127.03893	6.0
130.96268	2.3
131.96170	1.7
134.03613	1.3
135.04417	11.8
135.11685	1.9
137.02335	3.7
137.05959	0.8
137.09610	0.9
138.06726	3.6
139.07539	4.0
148.97324	4.6
149.05946	8.9
149.97189	3.6
152.04674	47.9
153.97829	1.9
159.11711	1.0
163.03868	6.6
165.01833	5.2
167.07025	100.0
168.07310	2.2
171.98987	2.3
172.98828	1.5
177.05518	1.4
177.12827	0.8
194.15414	4.2
195.06511	94.8
195.15675	2.8
196.06813	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.03955	0.7
53.65869	0.4
57.04058	0.5
59.03507	0.5
63.02368	0.6
65.03933	0.8
67.05511	0.7
68.99754	0.7
69.67032	1.6
73.73219	0.4
77.64828	0.4
78.04707	1.7
79.05504	1.9
79.71091	0.4
81.07059	0.9
89.03908	26.8
90.04245	0.7
91.05495	3.4
93.03403	0.6
93.07048	1.3
95.04963	1.1
95.08608	0.5
103.05473	1.4
105.04517	0.6
106.04158	2.3
107.04958	1.8
107.08588	0.7
108.01363	0.5
109.10170	0.5
111.04440	1.0
111.08083	0.5
117.03368	51.5
118.03739	0.8
119.04900	1.1
121.02885	1.0
121.06480	1.5
121.10162	0.6
121.55107	0.5
124.05196	0.6
125.06008	0.8
129.02766	0.5
130.96294	0.5
134.03625	7.8
135.04414	7.2
135.11678	1.0
136.98650	0.4
137.09628	0.6
138.62996	0.4
145.02834	92.6
146.03172	2.0
147.04372	0.6
148.97346	0.8
149.05966	24.6
152.04655	1.7
153.05412	1.1
153.97870	0.9
159.11604	0.5
162.03140	1.7
163.03893	10.3
165.01787	0.9
165.06943	0.6
167.07005	3.8
167.08394	0.7
171.98869	0.9
177.05452	100.0
178.05795	2.6
186.05463	0.8
194.15390	1.7
195.06490	3.9
195.08006	0.6
195.11670	1.0
195.13817	0.5
195.15677	1.1
209.96053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03946	0.9
53.09859	0.6
54.95716	0.7
55.05510	1.9
67.05504	3.2
68.05859	0.7
69.03430	1.7
69.07074	2.2
69.27962	3.2
77.03929	1.0
78.04698	1.7
79.05499	4.5
81.07076	2.4
82.07397	0.8
83.04995	1.3
83.08601	0.9
85.06556	1.5
89.03907	31.4
89.04461	1.5
91.05487	4.8
93.03414	0.8
93.07035	4.3
94.07392	1.1
95.04959	3.8
95.08601	2.6
96.08940	2.0
97.06542	0.8
98.23411	1.7
99.08049	1.7
100.08425	2.7
103.05485	1.7
105.04506	0.8
105.07022	1.5
106.04172	2.3
106.07355	0.8
107.04956	1.9
107.08591	3.7
108.08948	1.6
109.06521	1.7
109.10159	2.2
110.10501	2.8
111.04475	1.1
111.94795	0.8
117.03364	59.0
117.07037	0.9
118.03717	1.4
119.01295	0.9
119.08556	1.1
120.08926	1.7
121.02840	1.9
121.06509	1.9
121.10147	2.0
123.04395	0.6
123.08108	1.1
124.05189	1.6
124.08401	1.3
125.05988	1.4
131.08586	1.0
133.10089	0.8
134.03636	8.5
134.10471	2.6
135.04402	12.8
135.05345	1.0
135.08032	1.3
135.11693	2.7
135.41792	0.6
136.12047	1.5
137.09595	1.5
138.09966	1.7
145.02832	95.7
146.03151	1.4
148.97380	1.0
149.02370	3.4
149.05962	25.7
149.09575	1.5
149.13228	0.9
151.03883	2.5
152.04672	5.4
159.11725	0.8
162.03137	3.3
163.03885	10.8
167.07039	2.0
167.08490	1.7
171.99002	0.8
176.15167	1.4
177.05449	100.0
177.12764	1.3
178.05782	2.9
186.05504	1.4
194.16365	3.3
195.03183	3.6
195.06480	13.6
195.08034	1.7
195.10023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17551	0.5
100.19267	0.4
106.53482	0.4
127.93713	0.5
130.64201	0.4
134.53140	0.4
141.07016	1.2
152.06200	1.5
153.06973	9.8
154.07657	0.7
155.08553	4.1
165.06984	64.7
166.07774	5.9
167.08540	16.4
168.08868	0.7
169.29674	0.4
178.07755	1.2
179.08533	10.4
180.09319	53.9
181.09628	1.6
193.10121	1.8
195.11673	100.0
196.12044	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	195.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26438	0.4
101.88762	0.3
141.06946	1.1
148.40013	0.3
152.06165	2.1
153.06979	10.9
154.07758	0.5
155.08549	3.1
165.06982	58.8
166.07742	6.2
167.08546	14.6
168.08868	0.3
178.07785	1.3
179.08542	7.8
179.10034	0.6
180.09315	46.9
181.09714	1.4
193.10123	1.1
194.10898	0.4
195.11671	100.0
196.11987	2.5
209.86298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	5.2
55.01860	3.1
55.05507	20.8
57.03437	6.7
57.07056	3.8
65.03937	3.1
67.05502	70.8
68.96320	1.1
69.03431	1.8
69.07063	20.3
71.01346	2.1
71.04979	5.6
71.43249	1.1
79.05489	46.0
80.05814	1.3
81.03416	17.4
81.07051	100.0
83.04980	12.9
83.08612	13.7
85.06530	4.0
87.04446	1.5
89.03905	1.9
89.06022	1.6
91.05473	46.9
91.13578	1.1
93.07035	65.1
95.04958	10.1
95.08600	34.3
97.06518	12.3
97.10149	1.9
99.08071	1.6
105.04494	2.4
105.07011	14.2
107.04938	3.1
107.08580	33.6
109.06494	4.8
109.10129	2.7
111.08082	6.6
111.08717	1.3
113.09616	1.1
117.03347	3.2
117.06992	14.8
119.08559	5.2
121.06490	5.9
121.10159	9.4
123.11689	3.1
125.09595	1.2
129.06935	1.2
131.08562	14.9
133.09180	1.8
133.10120	28.3
134.03629	1.4
135.04413	1.7
135.08043	4.5
135.11674	34.9
136.24127	1.3
137.09592	2.0
144.09331	1.4
145.02852	7.5
145.35327	1.2
148.97333	2.3
149.05939	2.4
149.09607	1.5
149.13237	17.1
149.97186	3.4
151.11171	2.8
153.97885	1.6
159.11684	18.4
161.16840	1.3
162.51817	1.1
165.06961	2.5
167.01639	1.2
167.08496	1.9
171.98969	2.2
177.05489	7.1
177.12759	11.4
180.09276	1.2
183.52170	1.2
188.55244	1.2
195.08017	1.7
195.11691	5.2
195.13779	16.7
195.15674	4.0
196.16888	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.34289	1.8
52.42300	1.8
55.01866	8.4
55.05508	32.5
57.07067	10.2
59.04997	2.7
65.03935	1.8
67.05492	12.0
68.96328	3.0
69.03421	27.6
69.07064	67.7
69.07445	3.4
69.96169	4.7
70.94206	2.0
71.04975	7.6
71.33057	2.1
72.04507	2.1
76.84861	1.8
78.04725	2.6
79.05484	16.4
81.07055	56.4
83.04972	4.4
83.08612	25.8
85.06533	13.1
89.03915	24.9
89.06030	4.3
91.05453	9.1
93.07038	32.5
95.04974	3.9
95.08599	77.0
97.06500	2.1
97.10155	15.5
98.22640	5.8
99.08089	100.0
105.07030	6.2
107.07853	2.8
107.08584	59.0
109.10146	18.8
109.98920	3.8
111.08076	34.3
111.11691	8.8
113.09645	6.5
117.03369	40.9
121.06551	2.0
121.10137	89.3
123.08056	3.0
123.11729	10.1
125.09625	62.1
130.96303	7.0
131.96175	16.6
134.03618	7.2
135.04399	4.6
135.11681	24.8
137.13246	28.7
139.11179	7.4
145.02829	68.6
148.83267	1.9
148.97340	8.4
149.02315	5.5
149.05975	18.7
149.13252	6.7
149.97186	24.1
151.07443	3.4
151.99251	12.2
153.97903	4.0
154.97736	5.1
163.03886	6.2
166.23315	1.9
167.01593	38.0
171.98955	6.7
172.98799	6.5
177.05441	67.5
177.16374	90.6
195.01097	30.0
195.02806	2.3
195.17419	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01864	8.0
55.05263	2.0
55.05508	33.6
57.03426	2.2
57.07074	8.9
59.04984	2.3
64.37239	1.3
67.05506	14.2
68.96305	2.2
69.03426	21.1
69.07061	62.8
69.96158	2.6
70.51155	1.6
71.04987	10.1
71.08619	1.6
77.03911	1.5
79.05487	14.7
80.06318	1.3
81.03416	2.0
81.07051	53.0
83.04986	3.6
83.08614	26.8
85.06531	11.0
85.10180	1.5
89.03908	16.7
91.05449	7.6
93.07041	34.3
95.04951	2.7
95.08600	73.1
97.06515	4.3
97.10165	15.0
99.08083	100.0
103.05405	1.8
105.07014	5.4
106.04204	1.7
107.04943	1.4
107.08582	58.2
109.06534	1.7
109.10143	20.2
109.98959	1.7
110.98937	1.9
111.08071	30.2
111.11709	8.0
113.09634	7.5
117.03367	29.5
119.04915	1.4
119.08556	1.5
121.06493	2.3
121.10134	88.3
122.10432	2.5
123.11685	9.0
125.05980	2.7
125.09622	62.6
125.13224	1.8
127.99987	1.8
130.96304	5.0
131.96118	6.7
134.03606	4.9
134.99030	2.9
135.04388	5.3
135.08087	1.5
135.11685	24.1
137.13243	29.1
139.11151	8.3
145.02838	51.8
148.97331	7.8
149.02361	3.2
149.05984	10.7
149.13217	7.9
149.97144	8.0
151.07504	3.6
151.14830	1.6
151.99240	10.8
153.12651	1.4
153.97862	2.8
154.97717	1.8
163.03891	7.0
165.06961	2.2
167.01604	49.8
167.98448	1.4
168.01944	1.4
171.98953	5.7
172.98871	1.6
177.05455	62.1
177.06981	3.1
177.16370	98.1
178.05737	1.4
178.16763	2.6
186.05501	1.9
195.01097	48.5
195.02873	3.7
195.06445	2.1
195.11615	2.3
195.15691	2.6
195.17412	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	196.9523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52625	13.1
56.79192	12.4
56.96571	72.8
58.98545	13.8
70.88937	19.0
81.03442	14.0
81.91362	13.2
94.93014	31.8
95.79409	14.2
96.92799	52.8
98.97566	32.2
101.00866	37.8
101.43032	16.4
105.35561	15.3
108.39938	13.0
108.73630	14.6
115.28832	15.7
116.98606	26.9
119.01920	100.0
128.98576	26.5
132.05038	26.3
136.94012	37.0
154.90701	20.4
160.85274	13.0
173.02911	19.1
174.06094	79.5
174.99141	51.0
192.07224	24.4
193.00191	79.7
196.91751	50.0
198.18416	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0444
Annotation	3-(3,4-Dihydroxyphenyl)pyruvate
Peak:m/z	Relative Intensity
53.07833	0.4
55.01901	0.5
55.64042	0.4
65.03934	2.5
67.05540	1.7
69.03463	0.5
70.95860	2.4
72.93825	1.3
80.02644	0.7
81.03425	0.9
83.05000	1.0
93.03420	1.1
95.04961	34.6
98.03678	0.5
108.02106	1.1
109.02892	0.5
110.03650	1.5
111.04453	2.4
111.98451	2.7
123.04419	93.1
124.04755	1.6
125.02339	1.1
126.03120	100.0
127.03436	1.4
129.99501	1.1
132.95828	5.2
133.29417	0.4
137.05951	3.9
139.03888	16.4
140.04727	2.4
141.05450	40.3
142.05768	0.5
149.02290	0.9
150.95786	0.5
150.96866	5.5
153.01875	2.0
154.02594	5.2
155.97351	3.1
167.03281	1.3
169.04945	36.7
170.05238	0.7
172.31921	0.5
173.98508	3.9
179.03276	0.4
183.41539	0.4
197.04433	7.0
197.07980	0.7
198.18500	2.7
202.55560	0.4
214.65950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.96550	1.8
57.07055	0.8
65.03934	1.4
67.05496	1.1
68.39537	0.4
69.07063	0.8
69.73460	0.6
69.73809	1.6
70.95852	2.0
72.53534	0.5
72.93787	1.1
74.20194	0.5
79.05481	1.5
81.07040	2.0
83.08613	1.0
83.33347	0.5
88.13596	0.6
91.05474	17.1
93.07011	0.7
94.04176	2.6
95.04955	1.0
95.08604	1.1
97.10164	0.8
98.97566	2.8
100.02477	0.5
101.00885	1.3
105.07043	1.0
106.27443	0.5
107.04946	1.0
107.08576	2.0
109.06524	0.6
109.10136	0.5
111.98472	2.5
116.98601	2.2
119.01915	5.2
119.04932	31.6
120.05337	0.6
121.06484	0.6
122.03632	9.4
122.04431	0.9
123.04441	1.6
129.99501	1.1
132.05032	4.5
132.95818	2.7
133.02821	0.6
133.10124	1.5
134.99651	1.5
135.11685	0.8
137.05963	100.0
138.06290	0.9
147.04407	42.7
148.04700	0.5
150.06075	3.1
150.96855	6.5
151.03871	1.6
151.07549	1.5
154.90753	1.6
154.94211	0.8
155.97414	3.0
156.05029	0.9
156.93501	0.5
172.95259	1.1
173.02870	0.5
173.98471	3.2
174.06097	13.6
179.06943	3.3
179.10683	1.7
190.96327	0.8
192.07108	3.4
193.00198	0.7
196.16902	0.6
196.91844	2.9
197.02924	0.8
197.11729	1.3
198.18509	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	197.0808
Annotation	Methyl veratrate
Peak:m/z	Relative Intensity
53.96761	0.1
55.93556	0.2
65.03934	1.3
67.05487	0.2
69.03436	0.2
69.07078	0.2
70.20527	0.4
70.95856	1.8
72.93786	1.2
75.04477	0.6
79.05488	1.5
81.07053	2.6
83.08614	0.2
88.96895	0.2
90.94812	0.2
91.05477	5.4
92.45180	0.2
92.60292	0.2
94.04182	0.2
95.04974	0.5
109.06512	3.4
111.98473	1.5
119.04938	2.1
121.06501	0.3
122.03648	0.7
123.04422	21.0
129.99515	0.5
132.95834	3.7
135.08037	0.4
137.05966	100.0
138.06302	1.7
147.04390	0.2
150.03120	1.7
150.96872	3.8
155.97400	2.0
173.98466	2.1
179.10689	0.2
182.05745	2.9
197.08078	14.2
198.08435	0.2
198.18489	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	Methyl veratrate
Peak:m/z	Relative Intensity
51.02378	0.2
51.26472	0.2
53.03948	0.2
54.55691	0.2
65.03924	1.3
67.05481	0.2
68.99751	0.2
69.03406	0.5
69.69534	0.4
69.69893	0.4
70.95843	0.3
72.93778	0.3
75.04475	0.4
79.05476	1.4
81.07044	2.2
91.05467	4.9
93.07005	0.4
94.04198	0.3
95.04951	0.6
103.07912	0.2
105.03378	0.3
105.07034	0.6
107.08575	1.1
109.06510	2.9
109.10186	0.2
111.98471	0.2
119.04919	1.8
119.08638	0.3
120.05679	0.2
121.06499	0.4
122.03642	0.5
123.04414	20.4
132.95825	0.7
133.10123	1.1
135.08034	0.3
135.11684	0.8
137.05957	100.0
138.06279	1.7
142.40907	0.2
150.03113	1.6
150.96864	0.8
153.09128	0.2
155.97406	0.4
161.09596	0.6
165.89149	0.2
173.98470	0.5
179.10625	1.9
182.05721	2.8
197.08064	15.2
197.11656	1.3
198.08495	0.2
198.18507	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	Methyl veratrate
Peak:m/z	Relative Intensity
55.93534	0.4
63.88128	0.4
65.03928	0.6
67.05479	0.5
69.07087	0.5
70.94900	0.4
70.95859	5.3
71.74413	0.4
72.93783	2.5
79.05479	1.7
81.10904	0.4
81.47401	0.4
81.68934	0.4
83.76015	0.4
85.27348	0.4
88.96888	0.7
90.94817	0.6
91.05476	0.6
93.03404	1.0
94.04185	0.8
95.04986	0.8
97.02894	0.7
105.03390	0.7
105.81357	0.5
107.04966	2.1
109.06506	1.4
111.04420	1.7
111.98475	4.8
114.82502	0.4
115.36308	0.4
121.02901	0.6
122.03632	3.0
123.04414	1.6
125.05964	1.7
129.99490	1.8
132.95819	9.8
133.02837	6.9
135.04399	1.5
136.05185	13.7
137.05968	18.3
139.03891	1.0
139.07527	0.5
150.96867	9.4
153.01888	2.1
153.05441	4.9
155.97415	3.9
164.04706	3.2
165.01817	1.2
165.05450	7.4
165.06651	0.7
167.03384	13.3
167.07024	15.0
173.98486	5.8
179.10561	0.4
181.04924	1.3
182.05734	10.4
197.08072	100.0
198.08440	1.9
198.18524	6.0
209.99323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	Methyl veratrate
Peak:m/z	Relative Intensity
55.05508	0.6
57.07092	0.3
65.03933	1.5
67.05504	0.6
69.03419	0.5
69.07064	0.4
70.81540	0.3
70.81894	0.4
70.95866	1.5
72.93780	1.0
75.04469	0.3
76.13202	0.2
77.03943	0.3
79.05494	1.6
81.07053	2.5
83.08592	0.3
88.96893	0.3
91.05477	4.3
93.07006	0.4
94.04132	0.3
95.04992	0.5
105.07001	0.4
107.08583	0.6
109.06503	3.0
111.98460	1.2
119.04922	2.3
121.06471	0.5
122.03603	0.5
123.04420	21.2
129.99529	0.4
132.05049	0.5
132.95828	2.5
133.10075	0.4
135.08034	0.3
135.11671	0.3
136.93155	0.2
137.05963	100.0
138.06320	1.7
150.03123	2.1
150.96881	2.7
151.08623	0.2
154.90764	0.4
155.97400	1.7
172.95271	0.3
173.98468	1.5
174.06084	0.8
179.10675	0.6
182.05707	2.7
191.36789	0.2
196.91856	0.5
197.08069	16.2
198.18518	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.80193	0.4
53.03941	0.9
55.01862	1.0
55.05513	2.8
57.07065	1.2
59.04996	1.3
65.03949	1.8
67.05495	3.1
67.25298	0.4
69.03418	1.2
69.07058	1.1
69.36723	2.0
70.95852	2.8
71.05016	0.5
72.93792	2.0
73.02899	0.6
75.04467	0.5
77.03950	0.5
79.05483	4.8
81.03418	0.5
81.07048	5.3
83.04974	0.7
83.08618	1.1
85.06497	0.5
85.11948	0.4
85.12457	0.4
90.94827	0.5
91.05469	13.5
93.07039	11.5
93.07603	0.9
95.04958	4.9
95.08597	1.9
97.06510	0.6
97.10168	0.7
100.07587	0.4
105.03386	1.7
105.04514	0.6
105.07021	16.3
107.08586	32.7
108.08910	0.5
109.06519	6.8
109.10147	3.2
111.98470	3.4
115.05418	0.8
119.04901	3.3
119.06104	0.8
119.08585	4.1
121.06474	3.6
122.03642	1.0
123.04422	22.8
123.08054	0.7
123.11699	1.5
129.99522	0.9
131.08565	1.2
132.95827	5.6
133.10118	34.7
134.10471	0.6
135.08038	1.0
135.11681	25.7
136.12067	0.5
137.05968	100.0
137.09540	3.8
138.06310	1.6
143.08592	0.5
146.07268	0.6
150.03122	1.7
150.96873	7.1
150.97989	0.6
151.11180	2.5
155.08549	1.0
155.97411	3.1
161.09605	16.5
165.05469	0.5
169.10020	1.1
173.98448	4.1
178.82523	0.4
179.10657	48.5
180.10930	1.0
182.05710	3.1
182.10851	0.8
196.09253	0.4
197.06210	0.8
197.08063	15.1
197.11710	33.1
197.13234	2.1
198.11998	0.6
198.18510	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.56751	0.5
55.01855	1.0
55.05506	2.5
57.07070	1.2
59.04984	1.2
65.03937	0.5
67.05504	2.5
69.03407	1.0
69.07058	1.7
69.24372	2.7
70.95863	5.7
72.93783	3.8
79.05489	3.7
81.07031	3.2
83.04988	0.7
83.08611	1.5
86.06007	0.5
88.96912	1.3
91.04937	1.0
91.05472	13.0
93.07030	7.9
93.41607	0.5
95.04958	1.9
95.08596	1.4
100.07632	0.8
105.07024	19.7
107.08585	100.0
108.08916	1.4
109.06519	4.0
109.10168	5.0
111.98460	6.4
113.96387	0.6
116.98911	0.6
118.07745	0.6
119.04933	1.2
119.06047	3.0
119.08572	4.2
121.06493	2.2
121.10115	0.7
123.04418	1.4
123.11686	0.9
129.99506	2.7
131.08554	1.5
132.95833	9.9
133.10117	57.4
134.10469	1.0
135.11684	15.2
137.05962	7.5
137.09595	2.9
143.08522	0.8
146.07245	1.4
150.96877	14.3
151.03804	0.8
151.11151	3.1
152.93419	0.5
155.97398	6.8
161.09602	16.3
169.10057	0.9
173.98470	8.8
179.10660	22.5
182.10884	1.0
182.36353	0.6
190.60727	0.4
197.07919	2.5
197.11713	44.0
198.12109	0.8
198.18513	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	197.1324
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
51.29557	0.6
52.66209	0.5
52.68809	0.5
55.05502	3.7
57.07071	0.9
66.69423	0.6
69.07059	1.6
69.24800	0.6
69.84912	1.4
69.85309	1.2
70.95862	4.8
72.93772	2.4
78.61492	0.5
79.05477	1.1
83.08623	1.2
83.26665	0.5
84.99570	0.6
86.13350	0.5
88.96865	1.0
90.94820	0.6
91.05487	0.6
105.07024	6.6
111.98468	5.2
115.05407	0.7
119.08568	1.3
128.06223	1.4
129.06987	4.2
129.99515	1.6
131.08548	1.1
132.95824	6.8
134.20511	0.7
141.06976	6.8
142.07756	2.0
143.08537	3.1
145.37796	0.6
150.96881	8.8
153.06970	6.3
154.07774	4.8
155.08533	56.6
155.97366	4.9
156.09351	11.9
157.10117	1.9
165.06979	1.0
167.08545	23.7
168.09343	7.8
169.10110	50.7
170.10477	1.1
173.98486	6.6
180.09372	0.9
181.10092	2.2
182.10895	40.1
183.11234	0.7
195.11627	1.3
197.13231	100.0
198.13545	2.7
198.18503	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	197.1323
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
54.80426	0.4
55.05504	2.4
55.29163	0.4
60.80627	0.4
69.07050	1.2
70.95848	2.1
72.93771	1.5
79.05496	0.9
79.37244	0.5
83.08629	0.8
91.05486	0.9
101.63261	0.5
102.90863	0.4
105.07031	3.2
111.98465	1.7
119.08543	0.6
128.06215	0.5
128.72481	0.4
129.06978	2.5
129.99475	0.6
132.95810	3.8
134.22237	0.4
141.06989	5.3
142.07787	2.4
143.08575	1.7
150.96869	3.8
152.06253	1.1
153.06946	4.9
154.07767	5.3
155.08534	35.4
155.97379	2.8
156.09340	13.5
157.10164	2.4
165.07002	1.1
166.07762	1.0
167.08546	26.3
168.09337	8.4
169.10107	54.5
170.10445	0.9
173.98491	2.1
181.10048	3.3
182.10895	48.5
183.11185	1.4
183.43742	0.4
195.11684	1.0
197.13237	100.0
198.13585	3.7
198.18506	13.4
211.99258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67525	0.3
51.02385	0.7
53.03941	2.5
55.01858	1.3
55.05496	0.5
57.80037	0.2
65.03932	3.3
67.05505	2.3
67.12382	0.3
69.07057	0.3
69.62531	0.6
69.62890	0.6
74.09710	0.5
77.03924	3.2
80.21333	0.2
82.04194	0.3
83.08599	0.3
93.03414	1.1
95.04963	28.6
97.02884	1.7
98.97538	0.3
105.04514	4.0
107.01284	0.4
109.02930	0.3
110.03674	1.6
111.04430	1.8
116.97208	1.0
120.02087	0.8
121.02869	2.8
121.03716	0.3
121.04019	0.3
123.04424	12.5
125.02345	15.5
138.69145	0.3
139.03862	0.8
140.04672	100.0
141.04999	1.4
148.01463	0.2
153.05463	0.4
155.07018	12.9
156.07346	0.3
166.02657	0.5
167.03357	1.5
173.08125	0.6
175.98506	0.4
181.04939	4.8
198.18518	6.6
199.05983	1.0
199.18819	1.8
205.97063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48933	0.6
56.96560	30.8
70.41986	1.0
70.42321	1.1
71.95267	0.9
72.08151	1.8
83.97624	7.9
84.04497	5.0
84.08140	2.0
84.96026	0.9
85.76379	0.6
98.97578	61.6
101.98682	1.1
109.99151	5.0
116.98611	33.4
119.01908	1.9
121.99140	4.7
128.00175	5.5
130.01758	1.3
134.99640	12.4
135.57013	0.8
137.25214	0.8
140.00183	29.6
140.98586	11.9
146.01259	2.6
153.00673	1.8
158.01247	100.0
158.99623	7.8
159.01640	1.1
176.02301	49.9
177.00859	1.9
181.02739	0.7
182.01280	1.6
183.11284	3.1
199.18909	1.0
200.02307	8.9
200.13969	1.0
201.00720	1.8
218.03381	5.7
219.01903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	56.9
57.07070	6.0
59.83282	2.1
59.93084	2.3
62.06091	2.8
67.05484	11.0
69.07053	7.7
71.08607	1.7
71.42362	2.4
73.06535	2.8
73.77605	1.7
79.05480	9.7
81.07048	14.1
81.80996	2.0
83.04976	71.3
91.05470	14.8
93.07038	18.5
94.73325	2.0
95.04941	3.1
95.08596	21.5
97.02872	1.8
101.06003	33.6
105.07018	37.0
107.08591	22.8
109.10143	7.9
109.56772	1.8
115.05455	4.6
116.06210	2.6
117.06992	22.0
118.96750	25.1
119.08578	21.6
121.10146	9.0
123.05497	3.2
128.06207	4.7
129.07019	6.1
130.07779	12.3
131.08553	46.9
133.10109	12.9
133.99051	5.3
136.95403	2.8
143.08545	7.5
144.09300	6.4
145.06491	5.3
145.10115	88.4
145.43147	1.9
153.06926	2.1
154.96461	7.6
155.08557	5.2
157.10106	6.7
158.07266	7.2
158.10826	2.9
159.08018	5.9
159.11670	60.3
172.12462	3.4
173.09637	7.7
173.13266	17.3
177.98038	16.7
183.08018	5.5
186.09799	1.8
201.09071	25.2
201.12898	10.8
201.16367	100.0
202.16707	4.0
202.21594	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
59.93100	1.7
69.07059	1.4
69.77602	1.0
69.77975	1.0
77.94127	0.9
81.07042	1.0
81.31652	0.6
91.05477	4.6
95.95206	0.8
99.17159	0.6
100.95681	0.7
107.04945	3.0
115.05456	9.4
116.06247	1.6
117.07006	3.1
118.96748	11.0
129.07013	2.6
131.04932	4.3
131.08562	20.4
133.06485	1.1
133.18529	0.7
133.99063	2.4
136.95422	1.0
141.06961	18.0
143.08560	0.8
144.05693	14.1
145.06477	19.6
145.10109	2.5
147.07961	0.7
154.96451	2.9
155.05957	0.8
157.06474	3.7
158.07266	9.9
159.08040	100.0
159.11610	1.9
160.08409	1.4
168.09331	1.3
169.07603	16.4
171.08003	3.1
172.08798	0.9
172.97571	0.9
173.09616	3.3
177.98082	5.9
185.09503	1.9
186.10388	14.7
186.12065	0.9
201.12721	87.9
201.16423	2.5
201.20457	1.0
202.13069	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.7
57.07065	1.8
59.93104	3.7
66.33147	1.4
67.47360	1.2
69.18147	2.6
69.18547	6.8
72.04488	2.7
77.94143	1.8
91.05467	4.8
95.95206	1.3
107.04954	3.0
115.05460	7.7
116.06201	1.8
117.06969	1.9
117.10967	1.7
118.96768	22.0
124.78500	1.4
129.07024	2.8
131.04907	4.8
131.08569	21.3
131.09483	2.8
133.99072	5.2
141.06969	18.8
143.08566	2.0
144.05684	13.8
144.85652	1.5
145.06483	18.3
145.10097	3.2
154.96414	6.5
155.08502	2.5
157.06427	3.0
158.07262	11.0
159.08051	100.0
159.11664	2.7
160.08359	2.9
169.07582	14.1
171.08020	4.1
172.08876	1.6
172.82892	1.6
173.09601	4.3
177.98050	13.6
186.10359	13.8
200.20132	3.0
201.12723	99.9
201.20433	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	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.05488	0.4
57.07057	0.3
59.93093	0.4
69.07063	1.0
70.40161	0.7
79.05502	0.3
81.07057	0.5
82.06506	0.3
91.05475	4.9
92.28291	0.4
105.07014	0.5
107.04949	2.4
115.05445	9.8
116.06231	1.5
117.07005	2.7
118.96740	3.2
121.06490	1.0
128.06174	0.4
129.07014	3.3
130.07739	0.3
131.04913	5.1
131.08551	23.1
132.08920	0.4
133.06488	1.4
136.95375	0.4
141.06970	22.3
142.07353	0.5
143.08566	1.3
144.05685	16.2
145.06468	19.3
145.10127	1.1
145.86679	0.4
146.06914	0.6
147.07994	0.6
149.14983	0.4
153.06960	0.9
154.96469	0.8
155.06027	0.9
155.08562	0.6
157.06470	3.5
158.07256	10.2
159.08034	100.0
160.08388	2.2
167.08618	0.7
168.09331	1.1
169.07593	18.8
171.08017	3.6
172.08757	0.8
173.09605	3.0
177.98073	1.7
185.09595	1.5
186.10374	15.9
187.10777	0.4
201.12717	87.2
202.13023	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93100	1.7
69.07059	1.4
69.77602	1.0
69.77975	1.0
77.94127	0.9
81.07042	1.0
81.31652	0.6
91.05477	4.6
95.95206	0.8
99.17159	0.6
100.95681	0.7
107.04945	3.0
115.05456	9.4
116.06247	1.6
117.07006	3.1
118.96748	11.0
129.07013	2.6
131.04932	4.3
131.08562	20.4
133.06485	1.1
133.18529	0.7
133.99063	2.4
136.95422	1.0
141.06961	18.0
143.08560	0.8
144.05693	14.1
145.06477	19.6
145.10109	2.5
147.07961	0.7
154.96451	2.9
155.05957	0.8
157.06474	3.7
158.07266	9.9
159.08040	100.0
159.11610	1.9
160.08409	1.4
168.09331	1.3
169.07603	16.4
171.08003	3.1
172.08798	0.9
172.97571	0.9
173.09616	3.3
177.98082	5.9
185.09503	1.9
186.10388	14.7
186.12065	0.9
201.12721	87.9
201.16423	2.5
201.20457	1.0
202.13069	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
57.07068	5.6
59.15380	2.5
67.70221	2.6
69.07054	6.1
70.99348	2.9
79.05489	8.0
81.07045	8.9
91.05488	7.6
93.07013	5.1
95.08617	6.3
105.07009	26.9
107.08601	7.0
115.05392	4.3
117.07005	51.6
118.96744	23.9
119.08539	13.1
121.10140	3.1
129.06999	8.3
130.07790	10.6
131.08543	44.1
133.10143	7.2
133.99069	6.1
143.08528	15.0
144.09370	10.0
145.10115	100.0
146.10695	4.0
150.57156	2.6
154.96474	11.2
157.10132	6.4
158.10930	7.7
159.11676	97.3
160.12051	2.8
171.11609	5.7
173.13232	8.9
177.98010	12.8
201.12834	2.6
201.16359	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	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03923	1.3
55.05254	0.8
55.05503	5.0
57.07058	3.7
67.05498	8.7
69.06712	1.1
69.07062	15.1
71.08591	0.9
79.05482	6.2
81.07056	11.4
83.08633	4.7
91.05470	17.0
93.07041	12.0
95.04967	1.6
95.08592	12.5
98.23489	2.3
103.05477	1.3
105.07021	33.1
107.08587	13.9
109.10148	7.0
115.05467	3.1
116.06185	1.5
117.07008	29.0
118.96758	2.1
119.08578	15.8
121.10143	6.8
128.06213	3.3
129.07010	6.5
130.07771	10.3
131.08559	36.2
133.10110	8.8
142.07753	1.7
143.08549	12.4
144.09329	6.9
145.10109	100.0
146.10498	1.6
147.11659	1.1
157.10170	6.6
158.10915	6.1
159.11681	51.9
160.12102	1.4
163.44228	1.0
171.11696	3.2
172.12498	2.2
173.13274	11.5
174.71861	0.9
181.74315	0.8
186.14037	2.6
198.38087	0.8
201.16359	79.8
202.16699	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
54.97508	1.1
55.05494	2.9
55.75526	1.0
57.07056	2.7
57.45160	1.1
67.05489	8.1
68.55593	1.0
69.07060	14.3
70.67656	1.5
75.24106	1.0
79.05489	5.5
81.07056	11.8
83.08629	5.2
91.05472	13.2
93.07030	13.8
95.08591	10.6
103.05433	1.7
105.07018	31.2
107.08593	12.3
109.10153	7.3
115.05459	2.6
116.06218	1.9
117.07009	28.0
119.08572	15.1
121.10129	6.9
128.06201	1.7
129.06963	5.7
130.07777	10.0
131.08554	38.6
133.10120	11.2
134.43283	1.1
143.08556	11.2
144.09360	6.7
145.10107	100.0
146.10532	2.2
157.10103	3.9
158.10873	6.9
159.11681	56.1
160.12282	1.1
173.13264	11.0
186.13998	2.7
190.12671	1.0
201.16357	91.7
202.16661	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	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
52.73385	1.2
54.37355	1.2
55.05495	4.3
57.07060	3.1
59.93110	2.2
63.67283	1.3
67.05499	8.2
69.07062	14.3
70.37483	1.1
71.43560	1.2
72.39084	1.3
73.00447	1.3
77.94122	1.9
79.05478	7.6
81.07056	14.6
83.08607	5.1
91.05479	18.1
93.07043	13.4
95.08597	12.8
105.04505	1.4
105.07021	31.1
107.08595	13.5
109.10145	5.3
113.04250	1.2
115.05467	2.5
116.06208	2.9
117.07008	28.3
118.96767	15.8
119.08565	18.3
121.10133	7.0
128.06192	2.1
129.06944	6.3
130.07782	11.4
131.08557	36.2
133.10121	8.9
133.99057	5.1
135.40727	1.1
143.08554	10.3
144.09323	6.1
145.10115	100.0
146.10587	2.5
154.96437	3.4
157.10100	5.4
158.10928	6.2
159.08022	2.2
159.11684	49.8
160.12016	1.5
171.11655	3.0
172.12468	1.6
173.13217	12.4
177.98035	10.3
186.14011	5.3
195.38699	1.4
201.12794	3.2
201.16364	89.0
202.16757	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.39469	0.7
53.03938	0.8
55.05510	3.4
57.07069	3.1
59.86938	0.6
59.93100	1.4
64.46849	0.7
67.05504	9.5
69.07065	14.2
69.12626	1.4
69.13024	3.5
71.08626	0.9
73.82353	0.7
77.03932	1.0
79.05489	5.9
81.06618	1.3
81.07052	13.5
83.08611	4.1
91.05471	15.3
93.07039	16.2
95.04963	1.9
95.08601	13.1
103.05452	1.9
105.07024	32.7
107.08589	14.1
109.10132	6.1
115.05442	2.2
116.06233	2.1
117.07010	32.8
118.96739	6.0
119.08572	17.7
121.10129	6.2
128.06215	3.2
129.06970	7.3
130.07770	12.2
131.08553	37.9
132.09349	0.9
133.10121	9.6
133.99095	1.8
142.07768	2.1
143.08566	9.6
144.09319	5.0
145.10112	100.0
146.10570	2.1
147.11671	1.2
154.96484	2.3
157.10124	5.3
158.10896	6.3
159.11681	50.6
160.12102	1.3
171.11722	3.6
172.12405	1.8
173.13258	11.5
177.98050	4.3
186.14009	3.0
201.16365	93.3
202.16702	2.6
218.25395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05487	4.4
57.07068	2.9
58.35718	1.4
59.93099	2.3
60.89322	1.3
67.05494	7.8
69.06756	1.6
69.07067	16.5
69.46587	4.2
77.94155	1.8
79.05470	6.3
79.36568	1.3
81.07045	11.7
83.08615	7.2
91.05467	15.5
93.07052	12.2
95.08602	11.5
98.09988	1.5
98.22718	2.5
99.53790	1.5
103.05408	2.1
105.07024	26.4
107.08595	13.7
109.10123	6.8
115.05434	2.7
117.07009	25.2
118.96748	18.0
119.08568	15.6
121.10132	5.3
128.06145	1.7
129.06990	9.7
130.07787	11.2
131.07050	1.8
131.08556	39.9
132.84164	1.3
133.10132	9.3
133.99080	3.7
142.07730	1.4
143.08548	11.3
144.09338	6.6
144.67290	1.3
145.10109	100.0
146.10818	1.5
154.96458	8.4
157.10094	5.6
158.10892	6.0
159.11687	47.4
159.97211	1.4
171.11681	2.8
172.97472	2.0
173.13266	8.6
177.98042	12.2
198.33893	1.3
201.16367	80.0
202.16664	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
55.05508	3.2
57.07065	5.0
65.84508	0.7
67.05502	3.9
69.07066	9.8
69.32100	3.6
78.32227	0.8
79.05486	2.9
81.07049	5.2
83.08609	5.8
91.05471	9.1
93.07039	6.7
95.08591	6.5
98.23476	1.3
105.07020	22.7
107.08584	7.6
109.10148	3.0
115.05450	1.5
116.06234	1.0
117.07013	16.2
118.96748	5.6
118.99196	0.8
119.08562	10.2
120.16286	0.7
121.10114	4.2
126.28683	0.7
126.38661	0.8
128.06223	2.1
129.06990	4.9
130.07782	9.7
131.08562	24.7
133.10153	4.2
133.99081	1.2
142.07791	1.0
143.08574	8.8
144.09329	5.5
145.10112	100.0
146.10478	2.3
147.11746	1.1
157.10123	4.4
158.10931	5.1
159.11679	52.6
160.12053	1.5
171.11664	1.8
172.12488	1.6
173.13234	7.2
177.98061	3.9
183.11621	0.8
200.99524	1.2
201.16365	46.5
202.16617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05491	3.2
56.82315	0.8
57.07063	3.1
67.05501	8.1
69.06709	0.9
69.07065	12.3
70.56031	0.7
70.60313	1.5
71.08619	1.5
79.05495	6.3
81.07059	10.8
82.82205	0.8
83.08591	2.3
90.33000	0.7
91.05470	14.2
93.07051	12.4
95.04940	0.8
95.08605	11.9
103.05423	1.0
105.07021	30.5
105.07741	1.5
107.08583	15.4
109.10159	7.7
115.05456	2.6
116.06200	1.2
117.07008	29.1
118.96771	1.3
119.08572	14.0
121.10139	5.5
128.06187	1.2
129.06999	6.1
129.77917	0.8
130.07780	8.7
131.08557	37.2
132.09198	1.2
133.10120	10.3
142.07790	1.5
143.08549	10.2
144.09332	6.8
145.10115	93.1
146.10732	3.1
147.11682	1.1
157.10126	6.8
158.10893	6.6
159.11684	50.3
160.11978	1.4
171.11646	3.2
172.12427	1.5
173.13254	12.7
182.19458	0.9
186.14011	2.5
201.16367	100.0
202.16710	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	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05511	4.6
57.07053	2.8
59.93089	1.2
65.81609	0.8
67.05495	6.0
69.06708	1.0
69.07060	10.9
69.23637	5.0
69.30183	0.9
71.08601	0.9
73.06437	0.7
79.05486	6.4
81.07051	13.9
83.08609	7.4
84.73731	0.9
91.05471	12.0
93.07037	14.8
95.08601	12.6
103.05456	1.2
105.07020	25.6
107.07845	0.9
107.08578	17.3
109.10126	4.1
115.05420	1.2
116.06281	1.0
117.07010	19.0
118.96751	6.4
119.08575	17.1
121.10133	7.2
128.06171	2.0
129.07010	7.1
130.07780	10.3
131.08560	36.1
131.09563	1.8
133.10136	8.3
133.99077	2.1
142.07755	1.3
143.08559	11.7
144.09325	8.2
145.10110	100.0
146.10777	3.2
147.11696	1.4
154.96336	1.0
157.10107	7.4
158.10896	6.1
159.11679	57.8
159.96948	1.0
160.12161	1.1
171.11653	2.7
172.12477	1.8
172.97588	0.9
173.13232	11.3
177.98083	5.0
186.14085	2.8
197.11229	0.8
201.16362	89.2
202.16661	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03951	0.6
54.61806	0.5
55.05511	3.1
57.07064	2.4
57.27338	0.5
63.12759	0.4
67.05501	7.9
69.07066	10.4
71.08598	0.6
77.03935	1.0
78.00159	0.5
79.05485	5.7
80.30819	0.4
81.07053	14.2
83.08614	0.7
84.28292	0.5
91.05470	9.6
93.07041	17.7
95.04954	1.0
95.08601	24.9
97.21889	0.5
102.95522	0.4
105.04572	0.5
105.07024	21.7
106.07326	0.4
106.27667	0.4
107.08585	26.5
108.08915	0.7
109.06527	0.8
109.10162	5.7
115.05418	0.6
117.07016	8.1
119.08574	19.1
121.10128	10.4
128.06255	0.5
129.06972	2.9
130.07764	5.4
131.08560	27.3
133.10117	8.2
142.07806	0.8
143.08569	3.6
144.09315	3.6
145.10114	100.0
145.32333	0.4
146.10902	3.6
157.10129	3.7
158.10889	1.0
159.11687	43.1
160.12309	1.4
171.11659	2.5
172.12463	0.5
173.13266	7.7
186.14026	1.6
199.14806	0.5
201.16367	92.1
202.16695	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	201.1636
Annotation	(3E)-Laurencenyne
Peak:m/z	Relative Intensity
52.34271	0.7
52.47041	0.7
54.59862	0.7
55.05500	4.2
67.05504	7.0
69.07068	5.0
70.33559	1.7
79.05481	6.1
81.07045	6.9
83.08598	1.2
91.05473	7.2
93.07042	10.3
95.08598	25.7
105.06345	1.4
105.07021	19.2
106.74241	0.8
107.08582	18.0
109.06470	1.1
109.10130	3.4
116.06229	1.0
117.07017	9.0
119.08568	12.5
121.10146	6.3
125.16369	0.7
129.07021	2.1
130.07782	4.2
131.08557	26.4
132.08990	0.9
133.10106	5.5
143.08559	4.1
144.09315	3.4
145.10109	100.0
146.10756	3.4
157.10097	2.5
158.10867	1.9
159.11681	36.7
160.12463	2.3
171.11621	2.3
172.12447	0.9
173.13243	6.6
186.14026	1.9
201.16364	90.0
202.16721	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.27250	0.9
55.05508	4.4
57.07070	1.7
67.05496	8.7
69.07063	7.0
69.26695	5.5
77.03921	1.5
79.05487	7.5
81.07055	14.6
83.08606	1.1
88.12932	0.8
91.05466	14.4
93.07031	18.5
95.04988	1.2
95.08024	1.6
95.08598	24.1
105.06345	1.9
105.07023	27.9
107.08591	23.5
109.10151	5.0
114.38762	1.0
115.05476	2.6
117.07013	13.5
119.08572	16.9
121.10130	10.1
129.06996	4.9
130.07806	5.2
131.08563	31.4
133.10129	10.1
133.18336	1.0
143.08542	6.0
144.09326	7.0
145.10110	92.5
146.10782	2.3
147.11745	1.2
157.10080	5.7
158.11018	2.0
159.11678	51.7
171.11655	3.2
172.12411	2.0
173.13266	12.0
180.95853	1.0
183.70386	0.9
186.14027	2.3
201.16365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	(3E)-Laurencenyne
Peak:m/z	Relative Intensity
50.47699	0.8
55.05506	3.6
57.07072	1.1
63.75103	0.6
67.05495	7.5
69.07066	7.8
69.17735	2.4
69.18139	1.6
79.05497	4.7
81.07054	10.3
87.32592	0.7
91.05474	5.9
93.07035	11.1
95.08598	25.4
95.09211	1.3
98.22701	1.6
100.74366	0.8
105.04498	0.7
105.07014	21.1
107.08588	15.9
109.10149	4.5
117.07001	6.5
119.08569	11.4
121.10128	6.4
127.98032	0.6
128.06203	0.9
129.06981	1.9
130.07777	3.9
131.08562	21.3
133.10101	5.0
143.08517	4.0
144.09372	3.7
145.10112	100.0
146.10916	3.5
157.10104	2.0
159.11684	36.9
160.12439	1.8
170.59621	0.7
171.11769	1.7
173.13217	6.2
175.91194	0.7
186.14053	1.7
201.16365	80.5
202.16693	1.9
218.94995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.14119	0.5
55.05499	2.8
55.06178	0.5
55.59437	0.6
57.07050	1.5
59.93089	0.7
67.05497	4.6
69.07076	3.7
69.22925	3.0
79.05491	7.2
81.07052	12.4
83.08630	1.3
91.05473	9.9
93.06449	0.7
93.07040	11.7
95.04938	0.7
95.08598	13.1
102.79977	0.5
103.05430	0.6
105.07030	18.6
107.08580	17.3
109.10133	3.3
115.05458	1.0
116.06219	0.7
117.07015	10.5
118.96749	2.4
119.05994	0.5
119.08578	13.4
121.10145	7.3
128.06160	0.8
129.06973	3.4
130.07784	4.5
131.08559	28.7
132.08844	0.6
133.10112	7.5
142.07729	0.6
143.08546	4.1
144.09352	4.9
145.10115	63.4
146.10902	3.0
152.19249	0.5
154.96434	0.8
157.10091	3.1
158.10913	3.9
158.53522	0.6
159.11682	48.2
160.11986	0.9
171.11694	1.8
172.12445	1.8
173.13248	28.6
174.13614	1.3
177.98036	1.6
186.14047	1.8
199.14847	1.2
201.05492	0.8
201.16367	100.0
202.16774	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76571	2.1
61.19377	2.3
62.06083	4.8
70.06615	2.2
72.08186	2.3
79.73553	2.8
81.02042	2.2
84.04501	6.5
84.08138	70.7
85.06562	2.1
85.07835	2.7
85.08479	20.1
100.02456	3.4
101.00879	21.1
102.00941	3.8
102.09211	14.0
102.09766	2.3
109.13261	2.6
118.03559	4.2
119.01912	100.0
119.02775	4.9
120.02007	7.6
128.10741	10.9
129.11064	5.8
137.02948	29.9
138.03139	3.0
142.03506	27.4
143.01892	3.0
156.97484	4.8
157.03474	4.1
160.04582	21.1
161.02951	20.9
161.04326	3.8
174.98471	3.9
178.01085	6.9
179.00676	5.1
179.04002	27.6
179.99112	5.8
183.60742	2.8
184.04495	14.6
198.00378	3.1
202.05547	16.0
202.18053	12.5
203.00777	3.2
220.02045	17.4
221.01776	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	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.2
56.96553	0.6
57.03431	0.6
58.01443	0.2
58.96180	0.3
58.99855	0.4
59.04997	0.3
62.06086	1.5
70.06570	0.5
71.06116	0.3
72.08154	0.3
82.99788	1.8
84.04494	23.4
84.08128	2.6
85.04821	0.5
85.06487	0.3
85.08466	0.6
94.01460	0.2
97.01381	1.8
98.97578	0.5
99.02926	0.2
100.02460	0.5
100.54247	0.2
100.97174	0.5
100.97961	0.2
101.00866	11.6
101.10534	0.2
102.00946	0.6
102.09171	3.6
112.02451	0.9
114.04016	1.6
115.01597	0.5
115.02422	9.8
116.02492	0.3
116.98581	0.4
117.03992	2.1
118.03486	1.5
119.01906	35.0
120.01979	1.4
121.01629	0.3
124.02407	2.1
128.10770	0.4
130.03496	4.3
131.01897	0.3
132.05026	2.0
133.03442	4.6
134.03568	0.2
134.99704	0.2
135.05025	1.7
137.02939	8.2
138.03091	0.3
139.02388	2.9
142.03482	20.2
143.01898	0.8
143.03606	0.6
148.04538	3.4
150.06107	2.0
157.03452	41.1
158.01227	0.8
158.03595	1.6
160.04539	46.7
161.03008	1.9
161.04636	1.7
166.03458	5.0
167.01917	0.6
171.02797	0.3
175.04506	15.3
176.02287	0.8
176.04605	1.0
176.07651	0.4
178.00960	0.7
178.05594	0.6
179.00693	0.9
179.02539	0.3
179.03996	1.4
179.05434	0.3
180.05046	0.4
184.04532	97.2
185.02971	18.2
185.04669	3.8
186.03116	0.9
202.05585	100.0
202.17960	2.7
203.03975	7.4
203.05766	4.4
204.04179	0.4
207.06076	0.7
220.02026	1.5
220.06647	0.6
221.01791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0861
Annotation	Simazine
Peak:m/z	Relative Intensity
55.30509	0.2
56.05030	0.2
56.96552	0.3
58.06588	0.5
60.77437	0.2
64.17378	0.2
69.03446	0.2
69.75040	0.7
70.06583	0.4
72.08150	1.2
75.24027	0.2
82.42783	0.2
84.08139	3.1
86.09696	0.2
87.04440	0.3
91.05472	0.6
96.08099	0.2
98.06044	0.3
101.66078	0.2
103.05466	0.2
107.04954	0.2
112.11221	1.3
115.05500	0.3
115.12337	0.3
117.06998	0.2
118.06526	2.8
119.01907	0.3
119.04917	0.3
121.06508	0.7
128.10680	0.8
129.07031	0.3
129.13850	0.4
130.06516	0.9
131.04890	0.5
134.99718	0.2
140.10666	0.4
142.12236	0.7
143.12637	0.2
145.06422	0.3
146.05988	11.8
147.06740	0.9
147.07982	0.3
157.06458	0.7
157.07622	1.5
158.11734	0.5
159.06769	0.5
159.08002	0.5
160.07498	0.4
161.05983	0.2
174.05531	0.3
174.09117	8.5
184.09682	0.3
187.01309	0.2
200.06891	0.2
201.17142	0.3
202.08606	100.0
203.05241	0.2
203.09055	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33672	1.5
59.37012	1.5
69.03427	1.5
70.06584	20.8
70.45173	2.5
71.06113	6.3
73.02908	4.2
81.03429	1.6
82.99805	1.5
85.02874	2.5
86.09718	2.6
86.90878	2.5
88.08746	5.3
97.02893	3.0
101.00850	11.1
108.88570	1.5
115.08693	2.5
116.07088	9.4
119.01908	44.6
119.02760	2.2
120.01978	1.7
123.02991	2.2
129.21976	1.6
131.01888	5.9
133.09727	2.9
137.02940	7.6
143.01884	21.8
149.02943	1.6
155.01897	2.2
157.03438	2.4
158.12807	2.8
161.02948	67.9
162.03151	1.8
172.10806	3.9
173.02902	3.8
179.03989	2.7
203.05260	100.0
203.15051	6.5
221.05161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1431
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03934	1.6
55.01861	1.5
55.05510	7.2
55.74809	1.0
57.03433	2.4
65.03928	1.3
67.05212	1.1
67.05505	13.5
69.03412	2.8
69.07064	5.8
69.75430	1.7
69.75753	2.3
71.04980	2.0
79.05488	14.8
81.03403	1.3
81.07050	29.8
83.04957	2.8
83.08617	2.0
91.05469	26.0
93.07034	21.5
95.04474	1.1
95.04972	10.9
95.08603	21.9
97.06517	4.6
98.22774	2.2
100.02464	3.2
103.05478	1.7
105.07023	62.6
107.04947	1.7
107.07909	2.0
107.08584	18.7
109.06519	9.8
109.10146	8.1
110.11357	1.1
111.08080	2.8
115.05437	2.8
117.07014	11.9
118.03535	2.5
119.05988	1.2
119.08568	50.5
119.09425	2.4
120.96534	1.6
121.06483	4.4
121.10128	8.7
123.08080	5.5
123.11687	1.6
128.06197	7.6
129.06990	12.3
130.07761	4.7
131.08563	18.7
133.06483	4.8
133.10118	33.4
135.08044	3.2
141.07004	2.4
142.07767	7.7
143.08560	26.0
144.09314	3.9
145.08958	2.4
145.10110	45.3
147.08028	17.8
147.10558	2.0
147.11678	24.5
155.08510	3.5
156.09364	3.2
157.10107	18.4
159.08046	2.0
159.11700	24.4
160.12225	1.1
161.09596	18.8
161.13231	17.1
170.10921	4.4
173.09694	1.6
173.13231	3.9
174.10278	2.3
175.11211	6.5
175.14792	20.8
179.97929	1.8
185.13243	33.6
197.99138	2.1
201.29811	1.1
203.10603	3.4
203.14294	100.0
203.17931	14.3
204.14632	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.143
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
53.03938	1.3
55.05510	5.0
56.57663	0.6
57.03434	1.1
67.05500	5.0
69.03420	1.8
69.07066	2.8
70.70178	0.6
70.80867	0.7
70.81216	0.7
71.04985	3.1
77.03928	0.7
79.05486	6.6
81.07054	13.5
83.04983	1.0
85.06541	1.5
91.05475	19.4
93.07040	9.7
95.04961	3.7
95.08595	8.5
97.06526	1.8
103.05492	0.8
105.07023	39.1
107.08595	8.3
109.06513	6.0
111.08053	0.8
115.05389	3.0
116.06223	1.2
117.07013	29.1
118.07330	0.8
119.08572	26.4
121.06483	2.1
121.10146	2.7
123.08106	3.0
128.06207	7.2
129.06999	9.4
130.07794	11.3
131.08559	14.4
133.06494	2.3
133.10121	19.9
135.08038	2.0
141.07001	2.2
142.07764	5.4
143.08557	21.5
144.09273	2.2
145.10115	100.0
146.07268	1.0
146.10580	1.9
147.08051	7.8
147.11702	6.7
148.08832	1.5
155.08507	2.1
156.09364	2.4
157.10117	14.2
159.08064	1.0
159.11676	16.7
160.08836	0.7
160.12491	1.0
161.09610	14.6
161.13243	7.3
162.10008	0.6
170.10928	3.1
172.44962	0.7
173.13274	1.5
174.10435	0.9
175.11186	3.3
175.14796	10.2
185.13248	21.0
203.14302	67.1
204.14615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01855	1.2
55.05514	4.9
57.03428	1.0
67.05497	3.7
69.03438	1.1
69.07077	2.0
70.80948	0.8
71.04997	2.4
79.05479	7.4
81.07051	11.6
83.04989	1.5
85.06548	2.0
91.05471	18.6
93.07035	11.1
95.04945	4.1
95.08598	8.6
97.06496	1.2
103.05444	1.1
105.04478	1.0
105.07020	41.1
107.04964	1.0
107.08582	7.6
109.06506	4.6
109.10020	0.9
111.08057	1.0
115.05432	3.8
115.99217	0.7
116.06239	1.1
117.07006	27.9
119.08572	24.9
121.06509	2.5
121.10107	1.6
123.08057	2.5
128.06198	5.8
129.06992	9.0
130.07776	13.8
131.08551	12.3
133.06483	2.9
133.10114	20.4
135.08069	1.4
141.06987	1.7
142.07784	6.4
143.08556	25.1
144.09320	2.6
145.10109	100.0
146.10541	2.3
147.08009	6.8
147.11678	7.1
155.08577	1.4
156.09340	3.9
157.07767	0.8
157.10114	18.0
159.07996	1.1
159.11676	16.6
160.08830	1.2
160.12062	0.9
161.09622	14.5
161.10971	0.8
161.13228	9.6
170.10909	3.4
173.09628	0.8
173.13200	1.7
175.11176	3.0
175.14801	11.6
175.16165	1.0
185.13226	27.0
188.12004	0.9
203.14291	69.6
204.14520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1431
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03941	0.6
54.26807	0.5
55.05510	3.7
56.16120	0.5
57.07058	1.8
66.49456	0.6
67.05502	6.4
69.07053	3.7
70.04115	1.4
71.10139	0.5
79.05499	4.7
81.06567	0.8
81.07053	14.2
82.07406	0.7
83.04992	0.9
83.08598	1.0
85.06555	1.2
91.04939	1.1
91.05476	14.4
93.07043	8.7
95.04947	2.2
95.08603	17.2
103.05496	1.1
105.07024	37.3
107.08599	11.0
109.06502	2.6
109.10151	9.3
110.10445	0.6
115.05449	2.6
116.06232	0.8
117.07010	13.9
119.08575	23.1
120.96464	0.7
121.06475	1.1
121.10153	5.0
121.19996	0.7
123.11695	1.6
128.06235	4.2
129.06982	5.4
130.07780	9.5
131.08560	6.7
133.10126	19.0
135.08000	0.8
135.11737	0.7
141.07004	1.0
142.07771	2.6
143.08559	12.2
144.09335	1.4
145.10117	100.0
146.10515	2.0
147.08057	3.1
147.11662	15.5
155.08539	1.3
156.09354	1.7
157.10101	6.4
159.11678	7.1
161.09613	8.9
161.13257	7.5
170.10870	1.9
173.13251	0.7
175.11183	1.7
175.14806	9.5
175.16188	1.0
185.13249	10.3
202.21613	1.9
203.14307	31.0
203.17934	18.3
203.19919	1.0
203.20337	0.7
203.21968	6.9
204.14487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1429
Annotation	Penidienone
Peak:m/z	Relative Intensity
51.28668	0.9
53.03930	1.7
55.05495	6.0
57.03423	1.2
67.05494	5.4
69.03418	1.4
69.07054	2.8
69.49793	0.9
71.04977	3.2
78.85616	0.9
79.05489	8.6
81.06625	1.5
81.07051	18.2
83.04970	2.0
83.08586	1.1
91.05470	25.7
93.07027	15.6
95.04944	4.4
95.08591	15.3
97.06513	2.6
103.05450	2.5
105.07015	52.6
107.08575	11.2
109.06509	7.9
109.10172	2.5
111.08094	1.2
112.36954	1.0
115.05427	3.7
116.06281	1.4
117.07013	23.7
119.08559	32.0
121.06484	4.0
121.10118	4.3
123.08048	2.6
123.11890	0.9
128.06197	11.5
129.06990	15.0
130.07776	11.4
131.08557	18.8
133.06470	2.6
133.10112	27.6
135.08011	2.2
141.06950	3.4
142.07747	8.0
143.08549	33.9
144.09273	2.7
145.06404	2.1
145.10103	100.0
146.10695	0.9
147.08060	8.0
147.11674	12.0
148.08757	1.2
155.08514	3.1
156.09378	4.7
157.10118	21.3
159.08014	2.0
159.11676	22.1
161.09593	13.0
161.13228	13.1
170.10895	4.6
173.13237	2.1
174.10310	1.7
175.11159	3.5
175.14799	17.6
185.13237	33.5
203.14291	79.5
203.17944	3.7
204.14618	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	203.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	5.0
55.73345	0.8
61.79245	0.9
67.05492	2.9
69.07045	2.8
70.79577	1.7
70.79917	1.2
71.04977	2.7
72.49333	0.9
79.05492	5.0
81.07054	10.1
83.04980	2.3
84.85313	0.9
85.06564	1.0
85.83045	1.2
91.05470	14.3
93.07034	9.1
95.04955	5.1
95.08594	5.8
103.05482	2.0
105.07014	38.7
107.08591	6.4
109.06526	3.4
115.05418	2.6
116.06215	2.3
117.06998	19.3
119.08562	28.9
120.08797	1.1
121.06493	2.1
121.10146	2.0
123.08043	3.0
128.06223	6.0
129.06998	9.0
130.07774	16.4
131.08557	12.2
133.06400	1.3
133.10101	22.4
135.08015	1.8
141.06960	1.9
142.07776	8.0
143.08533	21.6
144.09265	3.3
145.10103	100.0
146.10712	0.9
147.08020	6.4
147.11678	7.1
155.08524	4.1
156.09309	4.2
157.10110	20.7
159.08026	2.2
159.11667	9.9
160.08620	1.0
160.12270	1.1
161.09612	12.8
161.13206	9.2
170.10893	4.2
173.13312	1.5
175.11180	2.0
175.14787	14.6
185.12019	0.6
185.13222	28.9
203.14282	60.4
204.14606	1.9
215.77342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1429
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
53.03924	1.2
55.05496	3.2
55.76842	0.9
67.05491	3.9
69.03422	1.0
69.07060	1.5
70.73978	1.1
71.04986	1.3
76.41671	0.7
79.05074	0.7
79.05477	4.1
81.07047	10.3
83.04973	2.1
85.06525	0.8
91.04942	1.4
91.05473	14.9
93.07042	7.2
95.04958	2.7
95.08604	7.5
103.05452	0.9
105.04521	0.9
105.07022	37.1
107.08597	5.5
109.06530	3.8
111.08084	0.8
115.05428	3.2
117.07005	21.3
119.08571	21.0
121.10119	1.4
123.08025	1.8
128.06213	5.9
129.07001	7.3
130.07777	12.5
131.08585	8.8
133.06471	2.4
133.10115	20.5
133.11137	1.0
135.08099	1.4
141.06966	2.4
142.07788	5.7
143.08549	20.8
143.09642	1.5
144.09293	1.1
145.10110	100.0
146.10503	2.7
147.08038	5.5
147.11656	5.8
155.08530	1.5
156.09358	3.0
157.10121	15.4
159.08054	1.0
159.11678	13.3
161.09602	10.6
161.13257	7.4
170.10918	3.1
173.13245	1.3
174.10316	0.8
175.11169	3.3
175.14819	10.5
185.13248	25.6
203.14297	56.2
204.14610	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.143
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
54.16289	1.1
55.05502	5.8
57.03408	1.1
67.05494	4.1
69.03418	1.7
69.07055	2.1
71.04977	2.0
72.03128	1.1
75.02144	1.3
79.05476	6.2
81.07050	13.3
82.51123	1.2
83.04984	1.9
87.62552	1.2
91.05468	20.2
93.07029	10.0
95.04929	5.8
95.08598	9.7
97.06516	1.7
100.02511	1.6
103.05439	2.0
105.07023	40.1
107.04977	1.4
107.08585	9.8
109.06479	3.6
109.10133	2.1
115.05463	3.4
117.07010	23.1
119.08571	28.4
120.96524	2.7
121.06490	1.6
121.10181	1.7
123.08011	2.9
128.06226	8.3
129.06982	10.1
130.07777	13.7
131.08549	13.5
133.06471	2.2
133.09174	2.0
133.10132	27.5
135.08080	1.6
141.06985	2.3
142.07762	9.5
143.08559	26.2
144.09337	2.3
145.10115	100.0
146.07245	1.2
146.10512	1.8
147.08063	7.4
147.11687	11.9
155.08540	3.5
156.09331	3.9
157.07671	1.2
157.10124	19.7
159.08041	2.0
159.11696	16.5
161.09639	14.8
161.13261	10.4
170.10905	6.4
173.13254	3.6
175.11137	3.4
175.14822	14.9
185.13239	28.8
197.99199	1.3
203.08054	1.9
203.14296	68.9
203.17937	4.7
204.14615	1.9
210.69685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.143
Annotation	Penidienone
Peak:m/z	Relative Intensity
55.05502	4.6
67.05479	3.6
69.07048	5.6
71.04977	2.0
79.05476	5.7
81.07056	12.4
82.01464	2.0
83.04948	1.8
83.97956	1.2
91.05466	13.5
93.07047	8.3
95.04959	7.5
95.08606	10.0
100.02457	2.3
100.53027	1.3
105.07019	40.7
107.08580	10.4
109.06498	4.0
109.10148	2.2
111.08070	1.3
115.05417	1.8
117.06995	11.6
118.03516	1.8
119.08569	39.2
120.96516	2.0
121.06496	2.3
121.10101	3.6
123.08031	3.1
128.06204	4.7
129.07010	9.4
130.07791	8.6
131.08569	13.5
133.06471	2.8
133.09061	1.8
133.10114	33.0
135.08012	1.8
141.06963	2.3
142.07744	13.2
143.08553	14.0
144.09325	2.3
145.10107	100.0
146.10680	2.9
147.08031	5.7
147.11687	19.5
155.08533	2.8
156.09320	5.3
157.10110	25.6
159.08023	2.2
159.11684	9.9
161.09589	22.6
161.13219	10.5
170.10840	7.7
173.13237	3.5
174.10458	1.7
175.11185	3.4
175.14796	33.6
179.97874	1.7
185.13234	20.5
197.99075	2.4
203.08313	4.8
203.14288	82.1
203.17815	8.2
204.14635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
51.97313	0.8
53.84205	1.1
55.05504	11.9
57.07066	1.8
60.52978	0.8
61.92844	0.8
65.03928	1.1
67.05505	14.3
67.51469	0.8
69.06721	0.9
69.07068	15.7
69.09746	2.4
69.10147	5.4
75.23138	1.1
79.05486	7.3
81.07053	19.4
83.08612	2.9
91.05474	17.3
93.07042	12.1
94.61749	0.9
95.04943	1.8
95.08600	39.1
95.09216	1.9
98.22771	2.4
100.02483	1.6
103.05476	1.2
105.07020	76.4
107.08583	16.2
109.10149	29.5
117.07019	5.2
118.03470	1.3
119.08573	56.8
120.08923	1.0
120.96510	1.5
121.06457	1.0
121.10146	13.3
123.11691	6.5
131.08563	7.3
133.10115	49.1
135.11693	3.5
138.40811	0.9
143.08527	1.0
145.10118	15.9
147.11673	97.3
148.11942	2.1
157.10077	1.5
159.11726	5.2
160.12573	5.6
161.13245	21.8
174.14133	1.1
175.14757	3.9
185.13210	2.9
188.15598	1.1
203.14517	6.3
203.17932	100.0
204.18204	2.8
207.40790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
50.15511	5.4
55.05507	7.2
60.41880	6.0
67.05486	13.3
69.03386	6.6
69.07059	9.7
81.07041	13.3
91.05455	20.4
93.07033	12.8
95.08590	34.0
105.07021	55.6
107.08560	24.6
109.10149	24.8
118.03567	7.8
119.08559	43.4
120.96499	16.7
121.10131	11.3
128.06178	7.0
131.08595	6.8
133.10104	36.2
142.07753	15.1
145.10056	8.8
147.11673	79.5
160.12456	6.6
161.13229	20.5
203.08113	6.2
203.08553	7.2
203.10637	94.2
203.17932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
54.12770	1.0
55.05301	0.9
55.05510	11.1
57.07063	3.5
67.05500	15.5
69.07059	16.1
69.24040	0.8
69.32557	5.2
71.08636	1.1
79.05470	7.5
81.06576	1.3
81.07050	26.0
83.08604	4.5
91.05468	18.1
93.07035	16.3
95.04943	1.3
95.08601	38.4
95.09210	2.0
97.10174	1.9
97.23731	1.0
100.02475	4.0
103.05448	1.7
105.07021	82.6
107.08581	18.5
109.10146	36.2
117.06992	4.7
118.03489	2.0
119.08568	87.2
120.08978	1.2
120.96505	3.2
121.10134	16.8
123.11702	12.9
131.08562	11.3
133.10110	46.2
135.11682	2.8
145.10106	9.9
147.11668	100.0
148.12071	1.0
159.11684	4.0
160.12463	4.4
161.13246	23.2
175.14790	3.7
179.97873	1.7
197.99229	1.7
203.08386	2.9
203.10635	7.6
203.17938	93.0
204.18303	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05506	12.0
55.38714	1.1
57.07068	2.5
67.05502	17.1
69.07058	19.4
71.43874	1.1
72.70377	1.4
79.05492	7.0
81.07048	25.8
83.08604	5.0
91.05463	17.6
91.33250	1.1
93.07032	18.4
95.08598	41.5
95.84684	1.1
97.10166	2.8
105.07021	78.2
107.08582	18.5
109.10143	35.5
115.05392	1.6
117.06981	4.0
119.08570	86.8
120.08875	1.5
121.10135	16.8
123.11703	10.7
125.06936	1.1
131.08560	7.8
133.10114	48.3
133.60695	1.2
135.11674	4.1
143.04968	1.5
145.10110	9.3
147.11670	100.0
148.12102	1.6
159.11636	3.5
160.12433	5.2
161.13252	23.3
175.14731	5.4
185.09558	1.4
202.07808	3.2
203.08470	7.3
203.10339	1.5
203.17931	91.9
204.18230	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05509	9.3
57.07059	4.1
65.03948	1.8
67.05214	1.4
67.05505	16.9
67.11234	1.3
69.07066	16.9
69.47988	5.3
75.49760	1.2
79.05480	6.9
81.07051	26.0
83.08619	5.2
91.05477	15.3
93.07033	15.0
95.04929	1.4
95.08598	39.9
95.14260	1.1
100.02473	2.7
102.48137	1.1
103.79832	1.1
105.07024	78.7
107.08582	24.3
109.10143	34.1
115.05439	8.4
117.07005	3.8
118.03513	1.3
119.08572	80.1
120.08868	1.4
120.96497	1.4
121.10117	16.3
123.11691	9.6
129.06985	2.1
131.08546	9.6
133.10120	48.6
135.11694	4.7
142.07809	2.3
143.04910	12.9
145.10091	9.0
147.11671	90.4
148.12163	1.7
157.06502	2.9
157.10136	4.2
159.11717	3.1
160.12509	4.9
161.05974	3.5
161.13260	24.3
167.08549	1.5
167.63593	1.3
175.14804	4.3
185.09616	14.6
197.99030	1.7
203.08775	2.2
203.10667	8.1
203.17940	100.0
204.18149	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.48557	1.6
51.50930	1.8
55.05507	9.1
57.07065	2.2
67.05497	12.7
69.07064	13.6
69.53132	3.9
69.53519	3.7
78.47890	1.6
79.05470	6.4
81.07047	22.0
83.08600	4.0
86.97119	1.7
91.05465	15.3
93.07038	11.2
95.08601	37.9
95.09200	2.6
97.10158	2.4
98.22594	1.9
105.07027	69.1
107.08604	17.4
109.10155	24.2
117.06987	4.4
119.08575	65.8
120.19698	1.9
120.96504	3.9
121.10142	15.2
123.11691	4.9
123.48252	2.2
129.07010	3.5
130.95110	1.9
131.08542	7.1
133.10121	46.2
135.11652	4.5
142.07748	2.5
145.10069	9.4
146.10791	2.0
147.11673	86.3
157.10054	2.1
159.11671	3.7
160.12428	4.4
161.05946	3.0
161.13261	24.5
174.13998	3.2
175.14787	4.4
179.97783	2.3
185.09567	2.5
203.08553	2.6
203.10609	24.7
203.17929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
51.78183	4.3
55.05505	6.0
67.05495	10.8
69.07057	17.1
69.14030	22.1
69.14433	10.2
71.53374	4.3
78.89012	5.1
81.07048	19.7
83.08638	7.0
91.05474	19.0
93.07038	16.0
94.29285	4.5
95.08604	40.0
105.07018	70.9
107.08588	14.9
109.10142	23.4
119.08566	57.3
120.96528	7.6
121.10149	15.2
123.11686	7.5
131.08580	6.2
133.10117	45.4
145.10120	8.1
147.11673	89.3
147.31184	4.2
148.74728	4.5
159.11812	4.4
160.12532	6.0
161.13222	19.2
192.19890	4.6
196.23398	4.0
200.96307	3.9
203.10623	42.9
203.17938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Iso-alpha-curcumene
Peak:m/z	Relative Intensity
55.05504	9.0
56.46410	4.0
57.78242	3.9
61.51611	4.1
64.97702	4.5
67.05495	12.6
69.07068	15.1
77.28348	4.8
79.05477	9.6
81.07025	27.2
83.08628	6.7
91.05475	24.1
93.07034	18.0
95.08601	48.5
105.07024	67.4
107.08587	23.2
109.10155	35.0
116.92331	4.6
119.08575	66.5
121.10121	18.8
123.11740	6.5
131.08600	9.4
133.10114	45.9
135.11708	6.5
145.10086	8.0
147.11662	97.2
150.15842	5.9
160.12410	6.2
161.13228	20.9
180.50624	4.5
203.08177	6.4
203.17937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.93566	1.0
51.89465	0.8
55.05507	12.3
56.05875	1.0
56.49518	1.0
57.07069	2.7
57.26816	0.9
60.72503	1.1
62.98234	1.0
67.05499	15.8
69.06767	1.2
69.07069	14.1
69.11971	1.4
69.12372	5.3
71.08653	1.2
79.05486	7.1
81.07049	27.2
83.08611	5.7
85.59038	1.0
91.05473	17.9
93.07043	15.0
95.08602	40.5
98.22614	1.7
105.07020	74.3
105.50877	1.0
107.08588	19.5
107.09293	0.7
107.62323	1.0
109.10143	27.7
117.06991	2.1
119.08570	68.8
120.08923	1.0
120.96549	1.5
121.10121	14.7
123.11703	8.8
124.83765	0.9
131.08543	7.5
132.09361	1.0
133.10118	43.7
135.11691	4.6
145.10091	9.9
147.11673	100.0
148.11951	1.2
159.11670	3.7
160.12466	4.9
161.13248	23.7
174.14029	1.5
175.14795	4.5
187.42126	1.1
203.17934	86.3
204.18274	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03930	1.0
55.05259	1.1
55.05508	12.5
57.07070	1.6
67.05499	17.2
69.07059	18.8
69.27372	1.5
69.27773	3.7
79.05479	8.1
81.07047	29.3
83.08602	8.9
87.88033	0.7
90.72706	0.7
91.04950	1.0
91.05472	15.0
93.07040	17.5
95.04904	1.0
95.08596	58.8
97.10134	2.0
100.02434	2.0
103.05424	0.9
103.14879	0.8
105.07021	53.2
106.07320	1.0
107.08582	30.5
109.06519	1.4
109.10148	36.9
117.06998	3.4
119.08569	58.1
120.08912	0.8
120.96463	1.0
121.06483	2.2
121.10128	19.9
123.11701	10.5
129.06943	1.8
131.08559	5.3
132.09352	0.9
133.10114	71.7
134.10442	1.1
135.08070	1.1
135.11679	8.2
142.07834	0.9
143.04944	1.4
143.08510	1.1
145.10110	11.9
146.07269	1.3
147.08025	3.2
147.11667	58.8
159.11612	5.2
160.08745	0.9
160.12424	3.9
161.05974	2.2
161.09621	11.1
161.13248	38.2
173.13222	1.2
174.10326	1.2
174.14056	1.3
175.11244	1.3
175.14801	9.8
185.09473	0.7
203.10591	1.8
203.14348	13.6
203.17924	100.0
204.10374	0.9
204.18259	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05507	9.8
57.07075	1.4
62.57404	0.7
63.35051	0.7
65.03917	1.2
67.05162	1.3
67.05500	21.8
69.07059	9.8
77.03956	0.9
79.05489	10.8
81.07050	49.6
83.08610	2.4
86.05406	0.8
91.05469	12.3
93.07038	18.5
95.04948	1.6
95.08598	68.0
105.07022	46.5
105.07742	1.9
106.07426	0.8
107.08586	38.4
109.10147	44.1
110.10494	0.9
117.06995	2.1
119.08569	37.3
120.08967	0.9
121.10143	16.0
123.11700	8.3
129.07005	0.8
131.08539	2.9
133.10117	27.8
135.11662	4.0
145.10118	3.9
147.07990	1.3
147.11670	61.5
148.12054	0.8
159.11697	3.5
161.09576	1.3
161.13251	18.7
165.50546	0.7
172.03915	1.5
175.14813	7.3
188.08249	1.2
203.10701	3.8
203.14252	4.5
203.17938	100.0
204.13835	1.1
204.18268	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.18843	1.4
50.90095	1.3
51.29578	1.1
55.05515	10.5
56.57489	1.2
57.07064	2.8
67.05502	21.4
69.07069	12.3
70.07243	3.4
71.08639	1.7
79.05477	10.8
81.07053	45.6
83.08611	4.2
91.05476	17.9
91.64011	1.3
93.07040	22.1
93.88929	1.4
95.08604	54.7
97.10157	2.3
105.07025	55.5
106.07317	1.3
107.08585	35.8
109.06553	1.8
109.10149	37.5
117.07020	4.6
118.34293	1.3
119.08569	51.9
120.96507	2.4
121.10143	21.3
123.11685	7.1
129.07021	1.3
131.08554	5.8
133.10117	43.2
133.28687	1.3
135.11694	7.3
143.08530	3.7
145.10104	13.6
147.08051	1.8
147.11681	70.9
157.10185	2.4
159.11674	3.3
160.12477	3.0
161.09593	2.1
161.13260	22.5
175.14809	12.1
179.97968	2.1
185.13283	2.2
197.99142	1.8
203.10629	2.1
203.14366	7.9
203.17947	100.0
203.21988	4.0
204.18353	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05503	11.4
67.05154	2.3
67.05498	25.0
69.07060	17.8
71.41145	1.8
79.05486	15.0
81.07048	47.4
83.08613	6.5
84.91180	1.5
88.98654	1.4
91.05479	29.2
93.07038	26.2
95.04953	3.4
95.08600	56.5
95.09209	3.1
97.10161	2.7
105.07019	75.1
106.07327	1.5
107.07916	2.9
107.08585	32.9
109.10146	44.1
115.05416	2.0
117.06969	4.9
119.08571	63.7
120.96531	2.5
121.10131	28.0
123.04408	1.6
123.11682	11.1
129.06975	2.0
131.08542	7.8
133.10121	48.1
135.11671	6.1
138.95032	1.9
142.07748	2.8
143.08507	3.1
145.10156	15.3
147.04381	2.2
147.11678	92.7
157.07629	2.5
157.10088	2.0
159.11624	7.6
160.12367	3.4
161.13243	26.8
173.41235	1.5
175.14832	6.9
185.13321	3.8
203.06966	2.6
203.10710	3.9
203.14294	6.7
203.17935	100.0
204.18222	2.7
205.28586	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
60.41237	0.2
68.53679	0.2
70.87092	0.2
78.72321	0.2
79.05474	0.3
81.07040	0.2
85.85391	0.2
91.05472	0.5
93.07044	0.2
95.08610	0.2
105.07004	1.2
106.07333	0.6
117.07016	0.5
118.07345	0.5
119.08591	0.6
120.08868	0.3
121.06449	0.2
121.94077	0.2
129.07018	0.2
130.07748	0.1
133.10095	0.4
134.10442	0.5
143.08490	0.4
144.08893	0.5
145.10112	2.5
146.10432	2.0
149.02338	0.5
157.10097	0.3
158.10464	0.3
159.11670	0.6
160.11946	0.2
162.13585	0.2
162.51331	0.2
176.15137	0.2
178.07730	1.0
185.13284	0.3
186.13589	0.6
189.06978	15.1
190.07611	1.0
201.06969	0.2
202.07767	7.5
203.08525	76.9
204.09291	100.0
205.06519	1.6
205.09744	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	205.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21087	2.3
54.80474	3.0
57.07058	11.1
61.02953	2.7
65.03935	4.3
70.40604	4.7
71.06107	3.1
120.39543	2.6
120.40569	2.7
121.02843	9.6
149.02328	100.0
173.55818	3.2
205.04721	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0495
Annotation	1,2-Dihydroxy-8-carboxynaphthalene
Peak:m/z	Relative Intensity
56.75389	0.8
57.07072	6.3
57.37169	0.8
59.63634	0.7
59.98280	0.9
65.03924	2.8
66.08994	0.9
69.03423	1.2
70.62103	0.8
70.99122	1.2
71.04965	0.8
71.06092	0.8
74.19769	0.9
74.97924	0.8
79.05479	0.9
85.02901	2.6
91.05495	1.3
93.07013	0.8
95.04945	1.3
102.25160	0.8
103.05450	14.1
105.07016	3.8
107.08578	1.1
112.19630	0.9
115.05449	54.5
117.07011	2.3
119.08570	1.8
121.02849	6.5
121.03693	0.8
121.06491	1.4
131.04935	15.3
131.08559	1.4
133.10118	1.3
135.11668	1.1
142.04106	0.9
143.04915	38.0
145.06502	1.5
145.10107	4.3
149.02330	47.9
149.05975	3.3
149.13202	1.1
159.04401	100.0
159.11713	2.5
160.04935	1.3
161.05972	1.8
163.03914	2.3
163.11205	1.4
176.06213	3.2
177.05540	1.4
177.06999	2.9
177.12743	1.1
187.03886	55.8
187.07423	2.0
205.04919	12.1
205.06554	11.2
205.12215	2.9
205.15826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
50.84144	0.5
57.02271	0.5
57.07078	0.7
62.49105	0.5
69.72852	2.1
69.91909	0.5
74.02425	1.2
75.44659	0.5
91.05467	1.8
98.22745	1.0
115.05446	2.9
117.05756	1.2
117.07004	2.7
118.06532	44.7
119.06907	0.8
121.02857	0.8
130.06487	3.0
132.08073	11.3
142.06476	3.7
143.07292	7.2
144.04340	0.8
144.08075	21.3
145.08455	0.7
146.05991	100.0
147.06296	1.1
149.02318	5.0
155.06020	1.1
159.09172	8.8
160.07578	2.0
167.51042	0.5
169.37219	0.7
170.06010	7.3
188.07050	74.1
189.07422	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	Mayurone
Peak:m/z	Relative Intensity
55.05511	4.6
57.07061	3.6
59.05017	1.2
65.03934	1.3
67.05489	2.8
69.07066	9.2
69.42903	3.6
75.49532	1.1
79.05479	3.6
80.21944	0.8
81.07034	5.2
83.05005	1.0
83.08609	4.2
83.80611	0.9
91.05495	6.1
93.07040	8.9
95.08600	9.3
105.07030	7.8
107.08585	22.8
109.06455	1.0
109.10160	3.5
117.07028	4.9
119.08568	17.3
121.06490	1.8
121.10126	22.3
128.19315	1.0
130.07776	1.3
131.08549	7.2
133.10112	12.8
135.08006	1.6
135.11717	5.3
139.18251	0.9
143.08553	2.4
145.10117	22.0
147.11665	2.0
149.01181	1.3
149.02322	8.0
149.09572	2.5
149.13237	2.2
157.10095	2.4
158.10933	1.2
159.11688	5.7
161.13261	1.6
163.11183	18.1
163.14816	3.0
165.06931	2.8
172.12413	0.9
173.13077	1.2
175.14807	25.0
177.06902	1.2
177.16338	12.3
178.07774	4.2
179.08580	6.9
187.14798	14.9
189.05305	1.3
189.06985	23.8
190.07750	26.6
191.08070	1.7
202.07668	4.8
203.08522	8.3
204.09222	4.4
205.10109	100.0
205.15848	30.5
205.19524	2.4
206.10422	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	205.1586
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03939	1.7
55.05505	8.0
57.03430	1.8
57.07057	3.3
62.65583	1.0
66.82460	0.9
67.05490	8.2
69.03408	2.7
69.07066	6.9
70.56688	2.0
71.04992	2.5
79.05489	9.5
81.07044	16.0
82.45829	1.0
83.04977	1.4
83.08601	3.2
84.74413	1.0
85.06514	2.1
89.54637	0.9
91.05466	18.6
93.07031	25.5
95.04958	3.8
95.08599	20.0
97.06516	5.4
105.07021	100.0
107.08580	45.8
109.06449	4.6
109.07758	0.9
109.10136	5.9
111.08068	5.5
115.05462	1.1
116.06107	1.0
117.07013	7.0
119.08568	40.6
121.06477	3.1
121.10136	38.5
123.08060	3.3
123.11673	1.7
129.06970	2.3
130.07777	3.6
131.08562	15.2
133.10123	10.2
135.08051	5.9
135.11665	8.3
137.09657	1.5
143.08553	4.2
144.09323	2.2
145.06471	2.7
145.10109	48.5
146.10733	1.3
147.11673	85.9
148.12022	1.8
149.02312	7.6
149.09596	8.1
149.13246	3.5
157.10106	2.1
158.10939	2.9
159.11664	14.9
161.13237	7.9
163.11128	6.8
163.14871	5.0
172.12511	2.0
175.14786	2.8
177.16397	6.5
186.78831	1.0
187.14806	30.2
205.15865	59.8
206.16000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.9
57.03420	1.6
57.07059	3.4
65.03927	2.2
67.05484	6.7
69.03411	5.5
69.07052	9.5
71.04983	2.5
71.43031	1.6
72.52019	1.4
79.05489	11.6
81.07049	15.2
83.04979	1.9
83.08606	2.7
85.06509	1.8
91.05471	20.4
93.07031	30.1
95.04952	6.8
95.08588	24.6
97.06516	5.5
103.05424	2.2
104.48172	1.4
105.07018	100.0
106.07326	2.8
107.08585	43.0
109.06493	4.7
109.10161	6.6
110.11442	1.7
111.08057	5.6
113.96658	1.5
117.06995	6.0
119.08566	42.0
121.02858	3.5
121.06484	3.4
121.10133	39.6
123.08041	4.4
125.09581	1.7
129.06992	1.9
130.07776	3.6
131.08560	17.8
132.09370	2.0
133.10120	9.8
135.08032	6.6
135.11694	8.9
143.08533	5.8
144.09268	2.0
145.06468	3.4
145.10107	52.3
146.10867	1.8
147.08067	2.7
147.11670	85.8
148.11957	1.9
149.02327	21.4
149.09622	7.6
149.13237	3.8
157.10153	2.5
158.10867	2.4
159.11668	14.3
161.13214	9.7
163.11143	8.2
163.14784	4.7
172.12373	1.5
175.14771	3.5
177.12740	2.0
177.16402	9.7
187.14798	28.9
205.12349	7.8
205.15858	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
55.05505	9.3
55.53759	1.6
57.07076	4.5
67.05494	13.7
69.07059	19.2
70.63243	1.5
71.06124	2.5
71.08373	2.2
79.05482	12.7
81.07049	55.6
82.64693	1.5
83.08617	6.7
91.05479	6.7
93.07035	52.2
95.08594	33.8
97.10161	5.1
105.07015	6.7
107.08585	37.4
109.10141	24.5
110.14959	2.1
111.11781	1.9
116.78546	1.8
119.08586	1.8
121.02866	3.0
121.10133	100.0
122.10442	3.3
123.11689	15.3
135.11670	22.5
137.13254	2.3
149.02310	29.5
149.03423	2.6
149.12115	2.8
149.13252	44.8
149.14436	2.5
163.14833	4.6
191.14272	2.0
205.09769	3.4
205.15868	3.1
205.19505	22.5
225.37634	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03930	0.9
55.05259	0.7
55.05505	8.1
57.07074	4.0
61.43610	0.5
62.77768	0.5
65.03933	1.0
67.05496	7.9
69.06706	0.9
69.07060	14.1
71.06093	0.5
71.08608	1.1
72.63878	0.5
79.05481	13.7
81.07047	52.0
82.07375	1.2
83.08607	4.5
85.10189	0.6
91.05458	6.6
93.07032	52.2
95.04951	1.8
95.08598	22.3
97.10174	3.6
105.04479	0.9
105.07032	5.3
107.08582	27.5
109.06515	0.6
109.10143	17.5
109.96358	0.5
110.03366	0.4
111.11710	2.1
119.08553	1.8
121.02844	1.6
121.10130	100.0
122.10468	1.7
123.08076	1.0
123.11687	8.0
131.08525	0.9
133.07628	0.6
135.11685	15.6
137.13239	1.3
145.10078	1.1
149.02322	9.4
149.13237	32.2
151.95828	0.5
157.10333	0.5
163.11136	0.8
163.14783	3.0
169.86232	0.5
175.14832	0.9
177.16295	0.7
187.14778	0.8
205.09753	0.7
205.12201	0.5
205.15904	2.3
205.19492	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42583	5.8
60.20438	7.6
61.90501	6.2
69.99061	18.0
82.11287	6.6
83.59340	6.3
96.10746	6.4
142.55156	7.7
172.96532	6.1
183.60706	6.2
205.99799	100.0
211.00717	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	206.1175
Annotation	Bellendine
Peak:m/z	Relative Intensity
50.01584	0.3
55.05491	0.3
57.03434	2.4
77.03931	0.4
79.05486	3.0
81.07047	0.3
84.04494	0.4
85.02900	18.6
91.05473	1.3
95.04958	0.6
103.05428	2.0
105.07022	100.0
106.07350	1.9
115.69496	0.2
116.05761	0.7
119.04932	0.7
119.08521	0.5
122.09657	25.9
123.10002	0.5
133.10129	0.6
144.05211	0.5
147.04370	1.0
149.02338	0.5
149.09572	1.0
150.02699	0.7
151.07553	0.7
154.98112	0.3
160.04774	1.3
161.05978	1.0
161.09537	0.4
163.11163	0.4
165.09116	1.2
175.03897	0.8
188.04236	0.9
188.10687	17.1
189.12694	0.4
202.39923	0.3
206.11740	8.9
207.06427	1.9
207.13811	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02371	1.1
55.01875	5.1
62.01591	0.6
65.03939	8.4
67.05473	0.7
69.07071	0.6
76.03139	1.1
77.03912	1.6
79.05474	2.3
80.06266	1.1
81.07045	1.5
83.01321	1.5
89.03900	4.8
90.04681	1.8
91.05470	100.0
92.05803	1.4
93.03417	0.8
95.04957	1.8
95.08575	1.2
96.46647	0.6
98.22559	1.0
101.03895	1.7
103.05447	6.0
104.02603	2.8
105.03394	1.1
105.07037	3.1
107.04955	2.8
107.08548	1.2
108.05705	1.4
109.10145	1.2
117.03362	2.4
118.04143	6.8
119.04929	97.0
120.05246	1.3
121.02862	2.9
124.05176	0.7
129.03354	1.8
129.04456	1.5
131.04916	1.8
132.02065	8.2
133.02818	1.1
133.06476	0.9
133.10152	1.1
134.03621	1.4
135.04404	4.5
136.05162	3.2
137.05940	1.8
145.02831	2.3
146.03598	5.6
147.04391	75.7
147.11646	1.1
148.04810	1.3
149.02336	9.8
153.16991	0.7
155.84068	0.6
157.03955	8.7
160.01537	0.8
161.05930	3.5
161.09651	0.7
161.13234	0.9
162.03087	1.6
163.03868	1.0
164.04663	6.2
174.03107	4.0
175.03889	80.6
176.04317	1.4
177.01886	1.6
179.06981	8.4
189.05495	0.8
192.04150	14.6
207.06500	62.4
207.11743	1.5
207.13814	1.1
207.17462	0.9
208.06795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
55.01870	4.9
55.05489	0.7
65.03928	9.5
67.05493	2.0
76.03149	0.9
77.03928	2.1
79.05488	2.3
80.06273	1.4
81.07048	2.3
83.01320	1.0
83.05032	0.9
85.06493	0.6
86.28953	0.6
89.03905	5.4
90.04705	1.7
91.05470	100.0
92.05844	1.3
93.03410	0.7
93.07037	2.5
95.04951	2.1
95.08598	2.0
101.03896	2.8
103.05461	3.2
104.02601	1.7
105.03385	1.0
105.07042	3.5
107.04939	2.0
107.08604	1.5
108.05746	2.0
109.10162	1.5
115.09184	0.5
117.03367	1.8
118.04138	7.2
119.04929	93.6
119.08537	3.2
120.05270	1.6
121.02850	2.2
121.10165	1.0
122.03616	1.0
123.11693	0.7
129.03383	1.7
129.04463	1.5
131.04907	1.1
132.02045	8.0
133.02847	1.7
133.06502	1.3
133.10132	1.5
134.03616	1.9
135.04390	4.3
136.05200	3.5
137.05981	1.0
145.02847	2.5
146.03630	6.2
147.04388	69.9
147.11661	2.5
148.04788	0.9
149.02335	11.1
150.03104	0.8
151.07486	0.8
157.03951	10.2
161.05920	4.9
161.09608	0.6
161.13281	1.2
162.03128	0.8
163.03946	1.2
164.04646	5.9
174.03102	5.2
175.03885	81.9
176.04317	1.8
177.01845	1.6
178.02634	0.7
179.07011	9.4
179.08459	1.1
189.05487	0.6
189.09088	0.6
189.16344	2.3
192.04135	15.9
207.06491	52.1
207.13817	2.1
207.17485	1.7
208.06804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
55.01856	1.7
65.03934	11.1
67.05492	1.3
69.20689	1.6
69.21096	3.8
75.20627	0.8
76.03139	1.4
77.03903	1.1
79.05459	2.8
80.06255	1.2
81.07042	2.3
85.02891	1.2
87.04501	1.3
89.03918	4.8
90.04639	1.8
91.05472	100.0
92.05782	1.4
93.03391	1.5
95.04939	1.5
95.08562	1.9
101.03843	2.0
103.05437	2.3
104.02606	2.3
105.07014	3.1
107.04926	2.6
107.08580	1.7
108.05732	1.6
109.10166	1.2
116.41343	0.9
117.03339	1.5
118.04147	8.2
119.04934	92.8
119.08562	3.4
120.05240	1.3
120.08113	1.0
121.02849	2.8
121.08407	1.5
123.08060	2.1
123.11629	1.1
128.29362	1.0
129.03331	1.7
129.04440	1.3
132.02066	8.4
133.06471	2.1
133.10126	1.5
135.04373	4.2
136.05136	3.0
137.05757	1.5
145.02797	2.3
146.03612	2.3
147.04395	62.9
147.08044	1.7
147.11647	1.6
148.02713	1.1
148.04800	1.1
149.02341	14.5
149.09669	1.1
151.02753	1.1
157.03946	8.1
161.05946	3.5
161.09531	2.3
162.03061	1.2
163.03900	1.5
164.04637	7.7
174.03127	2.2
175.03893	75.5
177.01764	4.3
179.06989	7.8
189.08946	1.5
192.04155	27.2
200.33163	1.0
207.02597	4.1
207.06485	41.4
207.09796	1.7
207.13799	2.8
218.10339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
50.83906	0.5
65.03940	9.0
70.13104	1.1
70.13456	0.9
75.02351	0.6
76.03135	1.3
77.03928	1.9
79.05489	3.3
80.06267	1.3
81.07062	1.0
89.03905	5.1
90.04687	1.8
91.05476	96.1
92.05799	2.2
93.03391	1.1
95.04973	1.7
101.03885	1.8
103.05470	3.0
104.02597	2.5
105.03435	0.8
105.07026	6.2
106.04166	0.8
107.04944	1.7
107.08599	0.7
108.05723	1.6
117.03364	2.2
118.04137	5.6
119.04936	100.0
119.08582	1.3
120.05293	1.4
121.02870	2.1
121.10098	0.7
122.03645	0.8
128.36946	0.6
129.03363	2.2
129.04465	1.4
131.04900	0.9
132.02058	8.1
133.02846	1.2
133.06476	4.0
133.10196	0.7
134.03606	0.8
135.04414	4.6
136.05151	3.0
137.05981	0.6
137.09593	0.8
139.56757	0.5
145.02826	3.0
146.03644	3.3
147.04399	73.6
147.11673	0.9
148.04799	1.3
149.02338	9.3
157.03970	11.2
160.01538	0.9
161.05991	4.9
162.03098	1.5
163.03934	1.3
164.03450	0.8
164.04652	4.4
174.03111	3.3
175.03899	89.5
176.04271	0.9
177.01863	1.2
179.07025	8.1
184.50038	0.7
187.28549	0.6
189.05545	3.3
189.12810	0.6
192.04156	12.0
207.06520	33.3
208.06897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
50.50510	0.8
51.02373	0.8
55.01873	1.0
55.92348	0.7
65.03932	6.8
67.05492	1.2
70.01040	2.3
71.05000	0.9
76.03130	1.1
77.03933	1.6
79.05486	2.5
80.06285	0.9
80.30341	0.7
81.07078	1.4
89.03905	5.1
90.04694	2.2
91.05473	99.5
92.05799	1.3
93.07027	1.9
95.04961	2.1
95.08601	1.9
98.22773	1.2
101.03902	2.1
103.05443	1.8
104.02609	1.5
105.03364	0.7
105.07024	4.1
107.04957	1.9
107.08578	2.0
108.05747	2.3
109.06521	1.5
114.16248	0.8
117.03332	1.0
118.04144	5.6
119.04933	100.0
119.08569	2.8
120.05267	2.0
121.02859	1.5
121.10133	0.8
122.03603	0.9
123.08095	1.4
129.03348	2.1
129.04448	1.2
131.04906	1.3
132.02057	7.3
133.02834	0.9
133.06371	0.9
133.10141	1.6
134.03622	1.4
135.04396	4.1
135.11682	1.0
136.05177	3.2
137.05916	1.0
145.02835	3.1
146.03654	4.0
147.04391	74.7
147.11694	2.2
148.04837	1.5
148.12067	0.7
149.02336	8.4
149.09589	1.6
150.03130	1.0
151.07497	1.3
157.03963	9.9
161.06003	1.0
161.09587	2.2
161.13246	2.1
162.03136	1.5
163.03801	1.4
164.04697	4.1
174.03120	3.3
175.03893	85.2
176.04367	1.1
177.01746	1.0
179.07022	8.8
192.04169	14.0
207.06508	38.2
207.09853	1.3
207.13693	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	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
55.01856	1.8
55.05511	1.3
55.46395	1.2
63.88492	1.1
65.03938	8.7
67.05492	2.1
69.07079	1.5
69.22868	3.7
69.23278	2.9
71.04946	1.1
76.03136	1.7
77.03925	2.1
79.05483	2.7
81.07047	2.9
89.03884	5.2
90.04681	2.3
91.05472	93.9
92.05811	2.1
93.07047	3.1
95.04940	4.1
95.08592	3.0
103.05453	2.4
104.02621	2.1
105.07014	4.9
107.04931	2.9
107.08572	2.7
108.05695	1.4
109.10152	1.4
117.03404	1.6
118.04174	7.5
119.04933	100.0
119.08557	3.5
120.05282	2.6
121.02866	3.2
121.06467	1.8
121.10125	2.3
121.47374	1.4
123.04359	1.2
123.08102	1.4
129.03300	2.5
129.04419	1.1
132.02077	7.5
132.02890	1.3
133.10048	2.5
135.04378	4.0
136.05162	4.9
137.05934	1.5
145.02853	1.6
146.03627	8.1
147.04398	83.8
147.11661	4.2
149.02336	12.6
151.07501	2.5
157.03961	11.6
160.70566	1.2
161.05901	2.1
161.09639	1.7
161.13248	1.8
162.03159	1.4
163.03990	1.5
164.04683	9.8
174.03070	6.5
175.03891	92.1
176.04294	1.4
179.06998	10.4
189.16296	1.8
191.64777	1.2
192.04150	16.2
207.06490	54.6
207.13753	2.9
207.17361	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0803
Annotation	Diphenylcyclopropenone
Peak:m/z	Relative Intensity
55.01832	0.9
56.39278	0.2
69.85699	0.8
91.05434	0.9
113.35658	0.2
114.59362	0.2
119.04967	0.4
147.04370	0.3
152.06197	0.5
153.06944	0.4
165.07008	1.0
175.03906	0.4
176.06221	0.5
177.07053	1.2
178.07762	33.3
179.08539	100.0
180.08894	3.4
189.06992	1.1
190.07855	0.3
191.08493	1.2
192.05702	0.7
192.09303	6.4
206.06845	5.3
207.08023	47.3
207.11638	4.3
208.08694	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	207.1168
Annotation	1,4-Dimethylphenanthrene
Peak:m/z	Relative Intensity
55.01885	0.3
55.05523	0.2
57.70534	0.1
69.31477	0.1
71.17226	0.1
72.94823	0.1
78.21825	0.1
91.05476	0.2
95.56969	0.1
99.23490	0.1
105.07051	0.2
115.05428	0.6
128.06204	0.2
129.07028	0.6
140.06236	0.2
141.07011	0.2
142.07753	0.9
145.62555	0.1
148.46622	0.1
151.05356	0.1
152.06212	0.6
153.06946	0.5
155.08562	0.3
161.97093	0.1
163.05417	0.1
164.06198	2.2
165.06979	4.2
166.07777	1.3
167.08560	0.4
168.05664	0.7
176.06210	0.3
177.06975	0.5
178.07755	11.4
179.08539	19.6
180.08914	0.7
189.06985	1.3
190.07744	0.9
191.08540	19.9
192.09311	100.0
193.09654	3.0
196.05168	0.3
197.09589	1.1
205.10069	0.6
206.06944	0.6
206.10896	1.2
207.08124	18.5
207.11655	80.5
208.08521	0.8
208.11983	2.4
217.07510	0.2
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
52.61238	1.0
53.03937	2.6
55.01875	5.2
55.05304	1.1
55.05508	14.1
57.03429	2.9
57.07059	3.0
59.04982	1.8
63.67595	0.9
65.03937	2.6
67.05504	16.8
69.03431	11.5
69.07057	5.7
69.07399	1.0
69.19439	6.5
71.04986	20.3
77.03903	2.2
79.05485	19.4
81.03400	3.3
81.07057	15.5
83.04974	12.3
83.08596	2.2
84.08095	1.2
85.02900	11.3
85.06526	4.9
89.03909	1.2
91.05472	77.6
92.05762	1.0
93.07044	19.6
95.04395	1.7
95.04957	13.7
95.08604	21.1
97.06501	4.1
97.10168	2.2
99.04433	2.7
103.05459	4.0
104.02647	1.2
105.03382	1.4
105.04445	1.9
105.07021	74.5
107.04954	10.3
107.08584	31.8
109.06506	13.3
109.10146	6.4
111.04425	5.2
111.08070	2.4
113.06020	2.0
115.05412	3.0
117.07020	11.5
119.04940	21.8
119.08570	100.0
121.06488	6.6
121.10140	24.7
123.04433	7.2
123.08058	25.1
123.11693	13.2
125.05951	3.4
125.09638	1.8
127.38158	1.2
128.06198	12.3
129.06982	20.5
130.07805	1.9
131.08560	11.8
133.06479	8.1
133.10121	42.5
135.04434	5.3
135.08009	7.3
135.11684	3.7
137.05952	4.6
137.09604	35.8
137.13226	1.9
139.07529	1.1
141.05490	1.3
141.06992	1.9
143.08554	34.9
145.06490	1.4
145.10117	12.4
146.07278	1.8
147.04395	12.2
147.08035	75.9
147.11676	31.8
148.08659	1.2
149.02232	1.1
149.09602	43.9
151.07521	7.8
151.11176	2.0
155.06053	1.3
156.09309	6.4
157.03900	1.7
159.11678	2.6
161.05965	10.1
161.09598	43.2
161.13242	11.2
163.07472	1.3
163.11191	9.4
165.05495	6.1
165.09067	9.8
165.12737	22.6
171.08061	1.5
171.11642	7.7
175.03882	10.1
179.07063	1.9
179.10695	7.6
179.14302	2.6
189.09084	19.2
189.12717	19.1
192.04140	2.3
196.98685	1.0
207.06685	5.8
207.10141	63.2
207.13753	40.3
208.10402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02367	0.8
53.03941	1.8
55.01864	3.2
55.05509	6.9
57.03416	2.6
57.07061	2.8
59.04988	2.1
62.77810	0.8
63.02373	0.8
65.03939	9.1
67.05501	10.4
69.03426	5.5
69.06763	0.8
69.07070	9.2
70.54788	1.2
71.04990	7.5
76.03130	0.8
77.03909	1.3
78.11143	0.8
79.05489	8.4
81.03401	1.5
81.07053	13.9
83.04979	4.5
83.08603	3.6
85.02899	1.6
85.06527	2.4
89.03931	4.1
90.04710	1.1
91.05474	100.0
92.05789	1.2
93.03393	1.2
93.07034	10.3
95.04959	10.3
95.08604	15.8
97.06518	7.0
99.04452	0.8
101.02840	0.8
101.03867	2.2
103.05473	4.2
104.02601	1.6
105.03336	1.4
105.04514	1.2
105.07021	23.0
107.04955	2.3
107.08582	16.7
109.06512	11.6
109.10146	8.2
111.04444	1.4
111.08071	4.9
115.05412	1.2
117.03390	1.4
117.07016	2.2
118.04150	7.4
119.04935	88.6
119.08571	27.8
120.05248	2.2
121.02832	2.8
121.06488	2.7
121.10134	16.9
123.04428	1.2
123.08074	13.8
123.11708	5.3
125.05949	1.4
125.09618	1.2
128.06197	1.1
129.03337	1.9
129.04469	1.5
129.07007	2.4
131.04936	1.0
131.08565	5.9
132.02039	6.2
133.02869	1.0
133.06506	4.0
133.07410	0.8
133.10126	14.3
134.03629	1.6
134.05981	1.1
135.04391	3.3
135.08046	4.6
135.11684	10.5
136.05171	2.9
136.08752	1.1
137.05931	7.0
137.09605	13.5
137.13216	4.4
139.07501	2.3
143.08542	4.3
145.02852	1.6
145.10115	3.7
146.03600	1.8
146.10895	0.8
147.04398	66.6
147.08023	9.6
147.11674	30.4
148.04890	1.7
148.12312	0.7
149.02342	13.0
149.09601	22.3
151.07524	7.7
151.11169	8.5
156.09305	3.7
157.02887	0.8
157.03986	7.7
159.11673	2.4
161.05966	1.0
161.09634	4.7
161.13240	17.1
162.03140	1.1
162.05498	2.3
163.03882	1.6
163.11156	5.5
164.04651	7.2
165.09093	3.2
165.12752	12.1
171.11685	5.0
174.03107	1.8
174.08922	0.8
174.10347	3.8
175.03893	79.4
176.04346	2.4
177.01808	2.4
177.12794	1.1
179.06981	6.7
179.14262	6.1
189.09071	1.9
189.12723	19.3
192.04153	28.6
193.04605	1.1
207.06490	45.7
207.10289	3.4
207.13786	52.2
208.06067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03945	3.5
55.05515	11.3
57.03431	6.4
57.07074	3.4
59.04992	5.4
67.05499	21.0
69.03406	7.2
69.07072	17.9
69.66431	5.1
69.66810	5.6
71.04977	8.6
79.05484	18.4
81.07047	28.9
83.04996	11.6
83.08581	4.4
85.02878	3.7
91.05468	24.0
93.07038	22.2
95.04967	13.3
95.08601	30.9
97.06056	1.9
97.06548	16.2
99.04442	5.9
101.34084	2.3
103.05434	3.2
105.07019	45.3
107.08596	29.0
109.06507	23.8
109.10155	16.3
111.04504	3.2
111.08082	7.5
113.57227	2.4
115.69431	2.8
117.07013	5.3
119.04939	7.1
119.08563	55.9
121.06483	7.5
121.10141	33.8
123.08065	25.4
123.11700	15.0
124.08830	3.4
125.06033	3.2
125.09633	3.2
130.37465	2.3
131.08546	8.6
133.06491	6.4
133.10109	31.0
135.08047	7.1
135.11699	18.4
136.08855	2.5
137.05998	14.1
137.09604	19.9
137.13242	5.5
139.07506	6.1
143.08592	6.7
145.10123	8.3
147.04436	3.9
147.08006	12.5
147.11678	61.2
149.09601	42.1
151.07489	14.6
151.11166	17.3
156.09360	7.4
159.08043	4.4
159.11716	5.0
161.09625	4.7
161.13235	32.4
161.26231	2.4
163.11198	6.5
165.09122	8.3
165.12750	21.6
171.11662	10.2
174.10426	5.9
179.14307	10.9
189.12743	44.7
207.13786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.08100	0.9
55.01867	1.1
55.05505	5.8
59.04989	1.1
65.03937	2.8
67.05506	7.5
69.03416	4.4
69.07053	2.8
70.51197	2.0
71.04701	0.8
71.04996	10.1
77.03929	1.0
79.05482	6.6
81.03419	1.8
81.07044	7.5
83.04967	3.3
85.02887	1.1
85.62092	1.0
91.05470	37.8
93.07026	11.3
95.04958	4.2
95.08606	7.7
97.06506	3.0
103.05462	1.5
105.07025	21.0
107.04945	2.5
107.08582	10.0
109.06506	11.6
109.10143	12.5
110.07288	1.0
111.08090	1.0
117.07019	1.3
118.04136	1.6
119.04943	27.2
119.08570	22.7
121.06503	2.9
121.10133	18.5
123.08052	13.1
123.11675	3.3
128.06235	1.6
129.03416	1.0
129.06966	3.3
131.04907	1.8
131.08542	4.4
132.02107	1.9
133.06499	4.5
133.10110	8.9
135.04362	1.1
135.08058	6.2
135.11671	1.0
137.09604	27.0
141.06964	0.9
143.08521	3.0
145.10117	3.7
147.03314	1.5
147.04402	17.7
147.08032	7.3
147.11682	14.6
149.02330	2.5
149.09604	100.0
151.07552	5.7
152.08287	1.7
153.09053	1.2
156.09331	5.3
157.03937	2.5
159.08025	1.6
159.11650	1.0
161.05974	18.9
161.09607	7.5
161.13248	14.8
163.03885	1.3
164.04619	1.9
165.12758	5.3
171.11681	5.9
174.10361	4.5
175.03912	19.7
176.08379	1.6
179.06993	2.1
179.14313	1.3
189.09166	5.2
189.12726	29.1
192.04189	2.8
207.06482	10.4
207.09779	2.0
207.13779	38.3
223.97633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02383	1.4
51.80351	0.9
55.01858	1.6
55.05508	7.1
57.07063	3.2
59.04978	1.2
65.03928	10.3
65.96586	0.7
67.05499	27.6
69.03421	5.3
69.03742	1.1
69.07058	3.1
71.04976	1.9
76.03132	0.9
77.03899	1.4
79.05486	7.8
80.06260	1.7
81.03413	1.0
81.07056	8.6
83.04958	3.4
85.02898	10.8
85.06548	6.1
88.60442	0.9
89.03915	4.5
90.04677	2.5
91.05474	100.0
92.05804	1.2
93.06512	1.3
93.07035	12.2
94.99472	0.8
95.04974	6.2
95.08601	76.1
97.06535	2.0
101.03872	1.1
103.05453	2.0
104.02586	1.7
105.03412	1.3
105.07031	20.7
107.04939	3.6
107.08589	19.1
108.05701	1.5
109.06515	6.0
109.10150	4.7
109.10811	0.8
111.08038	1.3
113.06013	5.2
116.06212	1.1
117.03386	2.0
117.07007	2.7
118.04160	4.8
119.04936	86.6
119.08579	28.4
120.04457	2.1
120.05255	1.3
121.06520	4.3
121.10145	15.4
122.03641	1.2
123.04450	1.0
123.08064	49.2
123.11689	12.8
125.05968	1.5
125.09576	1.2
128.06189	1.7
129.03438	1.3
129.04485	2.2
129.06979	2.0
131.04906	3.3
131.08569	6.8
132.02077	7.3
133.02847	0.9
133.06470	3.2
133.07408	0.9
133.10127	6.7
135.04390	4.8
135.08040	3.2
135.11679	1.8
136.05142	3.1
136.56221	0.8
137.09628	4.8
137.13235	1.3
139.07555	1.1
143.08528	2.3
143.12048	0.8
145.02841	2.0
145.06435	1.1
145.10078	2.7
146.03613	3.5
146.07231	1.6
147.04398	68.0
147.08014	6.2
147.11676	16.2
148.03877	2.4
148.04982	1.4
149.02348	6.7
149.09612	46.1
151.07527	3.9
151.14792	3.2
156.09334	2.8
157.03964	8.7
159.08038	2.2
159.11696	1.0
160.01547	1.2
160.08775	1.3
161.05971	21.9
161.09625	9.2
161.13239	18.5
163.03883	1.7
163.11182	3.2
164.04689	4.5
165.09096	1.7
165.12738	10.6
171.11649	5.1
174.03134	2.5
174.10393	4.1
175.03896	75.1
176.04344	1.5
179.07018	6.9
179.08481	1.5
179.14305	2.5
189.01787	0.9
189.07394	0.8
189.09096	5.2
189.12727	21.8
190.08635	0.9
192.04173	9.7
207.02644	3.3
207.06480	28.4
207.08072	2.2
207.09824	1.8
207.13780	41.0
207.16899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.3
55.01854	1.6
55.05493	5.8
55.18765	1.2
57.07059	3.3
59.04979	1.5
65.03935	10.1
67.05497	23.7
69.03414	4.1
69.07055	3.8
69.29798	6.2
71.04977	4.5
77.03912	1.7
78.04722	1.3
79.05489	8.0
81.03413	1.6
81.07043	8.1
82.61113	1.1
83.04964	3.6
83.08618	1.1
85.02905	2.8
85.06535	4.9
89.03902	3.6
90.04678	2.8
90.80824	1.0
91.05475	100.0
93.07027	14.8
95.04951	5.2
95.08601	72.8
97.06530	2.0
98.23576	1.3
101.03866	1.5
103.05473	2.2
104.02606	2.5
105.07026	25.6
107.04932	2.9
107.08593	21.7
108.05724	2.0
109.06529	8.8
109.10156	4.3
113.06003	2.9
117.03345	2.8
117.07010	2.3
118.04157	6.1
119.04936	81.0
119.08579	25.2
121.02861	1.6
121.06470	4.8
121.10130	21.8
123.08055	37.9
123.11699	6.8
124.87222	1.0
125.09573	1.6
126.01042	2.4
127.01849	1.3
129.03297	2.7
129.06937	1.7
131.04936	2.1
131.08557	4.5
132.02083	7.6
132.05713	1.4
133.06476	3.7
133.07492	1.4
133.10115	8.6
133.40515	1.1
135.04410	4.3
135.08060	4.0
135.11678	3.7
136.05214	2.4
137.09637	6.5
137.13203	2.1
143.08514	3.7
145.02863	1.6
145.10103	4.0
146.03610	6.4
147.04399	62.6
147.05580	3.0
147.08038	7.5
147.11679	20.5
148.04932	1.2
149.02307	9.7
149.09607	86.7
151.07538	4.0
151.14751	2.1
156.09305	2.7
157.03929	6.2
159.08028	2.2
161.05984	7.7
161.09586	5.0
161.13237	19.5
163.03877	2.1
163.11171	3.2
164.04671	5.4
165.09055	1.9
165.12726	8.8
171.11652	7.4
174.03099	1.6
174.10426	3.4
175.03888	81.0
176.04315	1.4
179.07011	5.2
179.14352	1.6
180.03255	1.5
189.09100	2.3
189.12730	30.0
189.16351	2.5
192.04175	7.7
207.04402	3.1
207.06483	32.9
207.09763	2.2
207.13780	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	209.0444
Annotation	Fraxetin
Peak:m/z	Relative Intensity
51.02387	0.9
55.05508	1.6
65.03936	14.5
67.05495	1.4
68.99784	40.5
70.69692	1.5
72.04812	0.8
77.03915	1.5
79.01848	7.3
79.05482	3.6
81.03412	13.2
83.04972	1.2
91.05482	1.5
92.02631	1.4
93.03398	7.5
93.07067	1.1
95.04962	5.6
95.08625	0.8
97.02952	0.8
97.06536	1.2
106.04172	3.5
107.01340	4.0
107.04962	3.4
107.08605	1.4
109.06546	1.1
111.04458	4.4
117.23592	0.7
119.04909	0.8
120.02077	2.6
121.02857	77.0
121.06521	2.9
121.10152	1.2
122.03230	1.7
125.05981	2.5
133.10127	1.1
135.04411	12.1
137.05978	2.1
149.02328	58.9
149.05962	3.4
153.05482	2.1
153.09213	1.4
163.03897	22.8
177.01813	100.0
178.02127	2.2
181.04980	4.8
181.08496	1.1
191.03410	1.7
209.04422	18.8
217.73245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.01597	1.4
53.03948	4.1
55.01871	21.2
55.05505	2.9
65.03934	24.8
67.05481	7.8
68.99786	25.2
69.07063	1.6
71.05004	2.4
75.04480	13.8
77.03919	3.9
78.04704	14.5
79.01844	5.8
79.05499	11.6
81.03415	11.4
81.07038	3.5
83.04973	1.6
85.02899	10.9
89.03925	7.1
89.06032	3.4
90.98280	1.4
91.05473	45.2
93.03395	33.3
93.07041	17.3
95.04963	28.7
95.08582	2.7
96.42803	1.6
97.06522	10.9
103.05470	20.5
105.03383	4.2
105.04503	7.0
105.07027	4.1
106.04167	84.8
107.01318	3.9
107.04951	8.7
107.08601	3.0
108.05756	1.6
109.06538	4.4
109.10170	1.8
110.03628	1.6
110.07346	2.0
111.04462	7.7
117.03383	7.1
118.04168	3.2
119.04940	5.9
119.08546	1.7
120.02048	2.8
120.05767	2.7
121.01974	1.4
121.02860	45.9
121.06496	86.2
121.10109	2.8
123.04431	4.1
123.08070	2.8
124.05193	2.9
125.05974	23.1
130.04172	2.1
131.04921	7.9
133.02811	2.8
133.06476	1.7
134.03630	15.2
135.04433	16.0
135.08096	2.4
137.05971	10.8
138.03058	2.2
138.06757	2.6
139.07533	6.4
145.02866	8.1
145.10126	1.7
147.04385	2.6
148.05211	10.7
149.02327	35.3
149.05971	100.0
149.09647	2.3
151.03874	2.9
151.07547	3.5
152.08371	2.4
153.05432	8.2
153.09079	17.7
159.04472	3.3
163.03900	16.8
163.07507	6.8
166.06302	2.9
167.07034	2.2
177.01826	60.5
177.05428	41.9
179.08533	1.5
181.04971	4.5
181.08575	18.6
185.07622	1.3
191.06908	7.3
191.14287	1.9
194.05782	1.6
209.04344	11.7
209.06052	3.3
209.08022	24.4
209.09802	2.4
209.11436	1.8
209.13348	3.6
209.15356	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	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.41024	3.3
55.01870	59.1
55.05508	3.7
57.03431	3.0
65.03947	24.1
67.05489	6.4
68.99782	50.6
69.07048	7.6
70.67318	5.3
77.03924	2.8
79.01829	7.3
79.05486	13.5
81.03419	14.7
81.07032	5.5
85.02898	3.7
89.03915	6.5
91.05470	40.4
93.03387	16.0
93.07030	21.5
95.04961	21.4
97.06522	3.7
98.14834	2.5
98.62787	2.2
103.05450	27.9
105.04485	5.9
105.07011	7.9
106.04158	26.6
107.01308	4.3
107.04955	19.1
107.08587	8.1
109.06511	6.2
109.10152	5.9
110.03677	3.4
111.04432	9.7
115.27602	2.7
117.03349	14.9
117.06979	5.0
118.04192	4.9
119.04964	9.1
120.02153	2.6
120.05732	3.0
121.02859	86.0
121.06495	49.3
121.10106	7.5
123.04343	3.4
123.08062	3.5
125.05994	10.0
131.04916	17.4
132.02112	3.2
133.02802	2.7
133.10107	21.8
134.03644	8.6
135.04413	22.4
135.08012	7.9
135.11664	4.0
137.05960	8.9
137.09596	17.2
145.02829	21.5
145.10133	3.9
147.04390	11.0
148.05171	11.1
149.02328	60.7
149.04863	5.2
149.05968	65.2
149.07025	2.8
149.09589	2.9
149.13214	5.0
151.03876	4.6
153.05420	14.3
153.09103	3.2
159.05573	2.9
163.03879	31.1
163.07553	10.8
166.06223	6.9
167.14290	2.9
176.04729	5.1
177.01823	100.0
177.05428	59.0
181.04955	6.2
181.07063	3.0
181.08588	11.9
183.38313	2.7
191.03317	4.5
191.06926	24.5
193.04961	2.9
209.04388	27.1
209.05992	4.1
209.07924	35.7
209.09428	3.2
209.11592	3.8
209.13553	4.1
209.15208	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	209.117
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03938	1.8
55.01858	7.1
55.05500	10.7
57.03413	3.9
59.05003	1.7
65.03946	7.4
67.05492	11.4
68.99786	16.8
69.03416	4.6
69.07058	32.0
71.02612	2.4
71.04982	30.0
75.25271	1.4
77.03901	2.9
78.67575	1.2
79.01840	3.5
79.05486	61.2
79.05946	3.4
81.03413	8.1
81.07050	20.1
82.51353	1.5
83.04966	11.6
87.07431	1.3
91.05464	28.6
91.69594	1.4
93.03376	3.5
93.07034	65.6
95.04525	1.5
95.04971	15.0
95.08605	8.1
97.06525	14.2
99.04417	2.9
101.06023	1.5
103.05431	3.5
105.07021	34.8
107.01313	3.0
107.04948	32.7
107.08578	73.4
109.06478	9.4
109.10136	4.9
111.04427	5.1
111.08073	1.4
113.05944	1.5
116.06250	1.8
117.07001	9.0
119.08579	10.0
121.02853	37.8
121.06494	48.8
121.09258	2.8
121.10130	43.6
122.10368	2.0
123.04401	1.9
123.08044	6.1
123.11687	2.3
125.05987	11.7
125.09563	2.1
126.01054	3.9
129.06981	4.2
130.07762	2.7
131.08553	100.0
133.10146	9.6
135.04373	9.6
135.08028	4.5
135.11670	6.0
137.05972	3.4
137.09581	2.0
139.07492	5.4
141.05431	3.2
143.08482	1.8
145.06404	1.8
145.10115	41.0
147.08031	6.5
147.11702	2.6
149.02325	27.5
149.05939	4.5
149.09601	96.3
149.13200	3.3
150.09981	1.6
151.07532	2.2
151.11180	8.5
153.05443	20.5
153.06544	2.5
163.03882	13.1
163.11157	37.3
163.14777	3.5
165.09152	3.0
167.07045	10.1
167.10687	5.3
173.09570	3.2
173.13261	4.6
175.09778	3.3
177.01814	46.2
181.04993	2.8
189.74901	1.5
189.76665	1.4
191.07289	1.6
191.09038	2.3
191.10664	33.4
191.14223	9.5
209.04329	6.1
209.05997	29.1
209.11702	52.4
209.15331	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	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
55.01851	6.2
55.05503	7.4
57.03422	2.5
65.03921	2.0
67.05497	21.3
69.03410	2.9
69.07077	10.7
69.41293	7.2
71.04980	15.2
79.05488	43.7
81.07062	7.3
83.04969	9.5
85.06530	4.1
91.05474	22.4
93.07040	36.1
95.04965	15.0
97.06532	8.9
105.07025	21.7
107.04948	32.1
107.07845	2.2
107.08585	39.0
109.06495	5.2
111.04454	7.7
117.07021	9.9
119.08572	13.8
121.06496	22.4
121.10129	25.4
123.04426	4.9
123.08041	2.7
125.05991	11.6
126.01047	6.7
129.06998	4.9
131.08551	75.0
135.08076	3.6
135.11713	7.9
137.09624	2.1
139.07556	2.1
141.05457	1.7
145.06433	3.5
145.10109	35.6
147.08041	8.0
149.05942	3.7
149.09604	100.0
150.09981	1.5
151.07466	2.3
153.05467	5.1
155.08553	1.6
163.07513	6.3
163.11163	29.2
165.09088	18.0
167.07025	4.4
167.10646	12.8
167.14311	2.1
173.09622	10.9
191.10657	51.5
192.10979	2.0
209.04039	2.5
209.11710	57.6
210.12065	1.7
212.81104	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.08699	1.1
53.03916	1.8
55.01853	4.0
55.05497	4.8
57.07068	2.1
59.04994	2.0
64.29335	0.9
65.03595	1.3
65.03935	17.6
67.05495	8.4
68.99786	44.7
69.03421	5.3
69.07062	13.7
69.63816	1.9
69.64222	3.6
71.04987	10.0
77.03922	1.5
78.04706	1.3
79.01848	8.5
79.05496	9.1
81.03416	15.7
81.07044	11.1
83.04974	13.8
83.08622	3.0
85.02892	1.7
91.05473	8.0
93.03407	9.5
93.07037	14.4
94.03731	1.0
95.04961	9.8
95.08022	1.8
95.08600	27.9
97.06526	12.6
98.23524	0.9
99.04423	1.5
99.08070	2.4
103.05456	1.9
105.03347	1.5
105.04482	1.7
105.07014	6.8
106.04163	7.9
107.01303	4.0
107.04944	4.7
107.08586	34.6
109.06519	9.1
109.10145	13.1
111.04460	6.3
111.07394	0.9
111.08041	5.7
116.45947	1.0
117.06989	1.6
119.08585	4.1
120.02055	3.2
121.02859	83.2
121.06492	15.0
121.10132	25.1
123.04414	1.1
123.08050	4.2
123.11696	4.8
125.05984	4.2
125.09620	7.1
126.01057	3.2
129.06964	1.5
131.04906	1.3
131.08543	7.4
133.10117	21.1
134.03525	1.1
135.04401	15.1
135.08037	12.8
135.11688	6.3
137.05927	2.3
137.09607	2.9
139.03870	1.5
139.07498	1.6
139.11168	4.0
143.08517	1.7
145.10103	4.8
147.11682	15.8
148.08832	1.5
149.02336	64.3
149.05956	9.1
149.09647	10.1
149.13249	13.3
150.02765	1.0
150.83279	1.0
151.11171	82.0
153.05450	2.5
153.09111	3.2
158.10939	7.1
163.03889	22.2
163.14804	9.2
167.10692	1.9
167.14285	1.2
170.14130	1.0
173.13261	18.7
177.01816	100.0
177.05374	4.3
178.02214	2.5
181.04961	4.4
181.08528	2.1
191.03365	3.0
191.07019	1.2
191.14290	65.3
209.04404	20.1
209.06238	1.5
209.07854	1.4
209.15353	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02368	0.9
53.03930	1.8
54.40327	0.8
55.01862	3.3
55.05500	3.6
57.03431	1.2
59.20807	0.8
65.03934	13.0
67.05499	3.7
68.99786	35.0
69.03429	4.1
69.07059	8.0
69.27291	1.3
69.27569	4.8
71.04994	6.6
77.03912	1.7
77.36605	0.8
79.01854	5.5
79.05489	15.6
79.56184	0.7
81.03412	13.9
81.07053	11.1
83.04980	5.1
83.05401	0.8
83.08606	1.9
91.05468	10.6
92.02649	1.4
93.03396	6.6
93.07038	12.9
95.04971	10.7
95.08595	3.5
97.06519	3.8
99.04433	2.3
103.05423	1.5
105.04520	2.1
105.07016	8.6
106.04156	1.3
107.01297	5.2
107.04954	8.1
107.08591	24.6
109.02870	1.1
109.06506	6.6
109.10136	3.5
111.04430	6.4
111.08073	2.1
115.05451	1.2
117.03343	0.9
117.07005	3.8
119.08549	4.7
120.02078	2.5
121.02855	71.6
121.06488	13.3
121.10133	14.5
122.03210	1.6
122.07291	3.9
123.08046	2.6
123.11727	1.4
125.06024	4.7
125.09625	0.9
126.01071	1.3
130.07797	1.3
131.08551	23.6
133.10118	34.7
135.04405	13.4
135.08049	8.3
135.11696	1.9
137.06007	2.2
137.09607	21.1
141.05446	1.0
145.09018	0.7
145.10112	11.4
147.07957	1.3
147.11638	1.9
149.02328	58.7
149.05952	3.2
149.09602	20.2
149.13229	6.8
150.02684	1.1
151.11186	3.8
153.05377	4.5
153.09061	2.5
154.39510	1.0
163.03882	22.6
163.11150	9.8
163.14803	1.5
164.04585	1.2
166.02765	0.8
167.07007	1.6
167.10690	1.2
173.13280	3.3
177.01813	100.0
177.05365	3.5
178.02190	1.7
181.04921	4.1
191.03371	2.5
191.10663	5.8
191.14253	2.7
209.04341	18.3
209.05997	3.3
209.07887	1.6
209.09811	1.8
209.11662	11.7
209.13480	1.3
209.15376	2.2
209.87082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05505	5.6
57.03409	1.4
57.07074	1.7
65.00371	1.5
65.03946	4.2
67.05501	7.1
68.99799	7.3
69.03416	6.1
69.07059	4.3
69.32380	5.1
69.32784	3.3
71.05001	1.8
79.05492	9.1
81.03417	3.0
81.07059	16.6
81.47196	1.2
83.04978	4.4
83.08611	2.3
83.52954	1.3
91.05473	15.3
93.03393	2.7
93.07045	7.2
95.04957	3.6
95.08603	3.7
97.06562	1.8
98.23445	2.8
103.05480	2.8
105.07016	12.8
106.04164	5.2
107.04955	2.7
107.08579	28.3
109.06512	15.7
109.10143	9.8
111.04454	2.0
111.08083	1.3
115.05460	4.3
117.07014	6.7
119.08595	4.0
121.02867	13.7
121.06490	5.2
121.10130	21.2
121.10977	1.7
122.07295	9.7
123.08083	2.6
131.08563	4.6
133.10115	100.0
135.04431	2.4
135.08061	21.6
135.11688	2.1
137.09602	81.6
145.10143	2.3
147.11722	2.5
149.02312	10.8
149.05992	5.8
149.09630	4.2
149.13237	17.4
151.11241	3.3
153.05473	1.5
163.03873	3.9
163.11171	2.3
165.12750	4.5
173.13324	7.2
177.01790	16.4
191.14326	3.5
209.04378	2.9
209.06116	2.3
209.07890	1.5
209.15378	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01870	1.4
55.05502	5.0
57.03428	1.5
57.07080	1.7
65.03939	0.8
65.67759	0.4
67.05498	5.8
67.25700	0.4
68.99797	1.2
69.03420	100.0
69.07063	4.0
70.03760	0.6
71.00243	0.9
71.04989	4.7
77.03847	0.7
79.05479	12.4
81.03440	0.8
81.07047	7.5
83.04967	9.5
83.08608	14.8
85.06522	3.6
87.04503	0.5
90.03434	2.0
91.05474	8.0
93.07035	8.6
95.04963	4.3
95.08606	3.1
96.05647	0.9
97.06531	3.0
99.00008	1.2
99.08095	0.6
103.05481	0.6
105.07023	7.8
107.04934	5.9
107.08578	39.7
108.08898	0.7
109.06492	5.1
109.10116	2.8
111.04434	1.7
111.08065	3.6
115.05474	0.7
117.07007	1.9
119.06065	0.6
119.08566	5.9
121.02870	2.1
121.06496	5.6
121.10118	10.9
123.08047	3.1
123.11688	5.4
125.05976	2.1
125.09618	31.8
126.01053	43.1
126.09995	0.6
129.06992	1.3
130.07773	0.7
131.04980	0.6
131.08551	17.3
133.10121	3.4
135.04393	1.0
135.08023	4.1
135.11703	2.7
137.05952	0.5
137.09598	1.1
143.08546	0.8
145.10100	8.7
147.08003	1.4
147.11665	2.3
149.02307	2.2
149.05997	1.1
149.09598	21.1
149.13216	6.4
151.11185	2.8
153.05473	1.8
153.09019	2.3
163.07573	1.0
163.11176	7.3
163.14749	1.0
165.09119	2.5
165.12730	3.2
167.06975	0.5
167.10675	2.8
167.14308	11.2
173.08203	1.1
173.09604	1.8
173.13232	5.0
177.01785	3.0
177.05481	0.6
191.10658	9.8
191.14281	18.8
192.14578	0.5
196.87425	0.5
209.05888	18.7
209.10130	0.4
209.11734	12.4
209.15327	24.8
210.06200	0.7
210.15694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03938	2.3
55.01854	4.4
55.05507	68.1
57.03423	3.7
57.07068	5.0
59.04987	4.3
65.03943	5.5
67.05504	11.3
68.99778	5.4
69.03428	6.9
69.07060	8.3
69.47032	2.5
69.47437	5.0
71.04986	5.1
79.05506	11.1
81.03425	3.3
81.07056	21.8
83.04977	100.0
83.08613	41.0
85.06546	4.6
91.05468	8.8
93.03383	2.2
93.07042	14.0
95.04449	1.9
95.04961	11.8
95.08589	13.1
97.05956	2.2
97.06527	15.7
97.10165	9.1
99.04427	2.0
103.05438	1.8
103.82037	1.5
105.07046	9.6
107.04946	2.6
107.08583	23.6
109.05758	2.0
109.06513	41.6
109.10151	26.7
109.36360	1.5
111.04426	3.6
111.08059	11.4
111.79904	1.3
113.05972	1.7
113.09631	2.0
119.04943	2.1
119.08600	4.1
121.02850	17.7
121.06503	4.6
121.10135	18.8
123.08057	5.9
123.11676	11.6
125.06019	2.6
125.09622	19.1
131.08537	4.2
133.10112	11.5
135.04364	3.3
135.08049	6.7
135.11700	1.9
145.10103	2.6
149.02338	17.6
149.05991	3.7
149.09610	7.2
149.13272	10.6
151.11166	36.2
153.05568	2.0
153.09091	13.8
153.22887	1.5
162.04201	1.7
163.03918	5.3
163.07474	1.9
163.11150	2.7
163.14771	1.8
165.12659	1.4
167.14305	65.0
173.13274	6.1
177.01852	18.6
177.04305	2.1
179.22971	1.9
191.14316	10.6
209.04391	5.8
209.06149	3.3
209.07870	2.1
209.09726	2.4
209.11646	3.4
209.15350	37.9
210.07530	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05502	7.2
57.07090	1.2
59.04981	2.9
63.06649	1.1
67.05504	7.6
68.99769	1.8
69.03415	9.2
69.07056	16.4
69.73322	4.1
71.04985	9.0
79.05488	6.3
81.03394	1.5
81.07049	11.6
83.01313	2.0
83.04973	10.6
83.08601	4.4
85.06558	1.5
86.89961	1.1
91.05479	6.2
93.07031	15.9
95.04958	4.4
95.08602	39.6
97.06515	11.6
98.22744	2.3
99.04457	2.1
99.08083	8.6
105.07031	10.0
107.04909	2.0
107.08582	38.8
109.06528	8.2
109.10147	16.6
111.08073	5.8
113.09627	1.8
119.08566	5.3
121.02898	3.4
121.06498	5.0
121.10130	29.5
123.08063	5.4
123.11673	4.8
125.09621	10.9
126.01044	1.8
127.43194	1.4
131.08534	8.1
133.01137	1.2
133.10106	28.0
133.11023	2.2
135.08031	14.6
135.11682	5.2
136.08826	1.7
139.07526	4.5
139.11160	5.2
143.08572	2.6
145.10095	4.3
147.11685	11.9
149.09599	24.0
149.13255	17.0
151.11166	100.0
152.11505	1.9
153.09087	3.7
158.10857	4.8
163.14819	12.0
165.12779	3.8
167.10612	1.9
173.11824	2.7
173.13240	28.5
177.01799	3.3
191.14284	61.6
199.28859	1.4
209.15343	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.92790	1.4
55.05502	6.0
56.05535	1.6
56.75254	1.5
57.07067	1.9
65.03947	2.2
67.05498	6.6
68.99786	6.2
69.03421	5.6
69.07058	4.9
69.47105	6.6
72.31501	1.5
76.56337	1.4
79.05482	9.0
81.03413	2.5
81.07050	13.3
83.04980	2.1
91.05466	14.7
93.07037	6.4
95.04963	3.5
95.08600	4.5
97.06503	1.5
98.22751	2.9
102.48655	1.6
103.05459	2.2
105.07027	13.6
106.04223	2.6
107.04983	3.6
107.08585	24.5
109.06509	13.7
109.10152	11.5
115.05477	3.6
117.07011	5.6
119.06044	1.7
119.08567	4.3
119.90675	1.6
121.02841	10.1
121.06512	4.2
121.10142	19.2
122.07284	9.6
123.08014	2.3
123.11639	1.8
131.08585	4.0
133.10115	100.0
134.10570	1.7
135.08029	21.1
137.09601	77.2
145.10130	2.1
147.11711	3.4
149.02313	8.6
149.05942	3.1
149.09639	4.5
149.13254	12.8
151.11159	3.0
163.03922	2.1
163.14851	1.7
165.12769	2.3
173.13257	5.4
177.01784	14.3
177.05560	1.9
178.49110	1.5
191.14337	3.5
209.04231	2.1
209.05991	3.1
209.11868	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.38727	1.4
53.03944	2.9
55.01868	3.9
55.05507	72.2
57.03425	2.4
57.07063	2.6
59.04994	3.0
65.03933	3.6
67.05496	11.8
68.99786	9.5
69.00107	1.4
69.03420	13.0
69.07059	8.7
70.38529	3.1
71.04981	8.6
77.03925	2.0
79.01851	1.9
79.05481	17.8
81.03416	4.7
81.07045	17.5
82.04069	9.4
83.01340	3.1
83.04971	100.0
83.08607	38.8
85.06539	4.0
90.03427	5.8
91.03743	2.4
91.05480	12.8
93.07032	21.5
95.04959	32.8
95.08598	12.4
97.06509	15.1
97.10143	8.0
99.00008	3.8
99.04453	6.8
99.08092	4.5
103.05503	2.4
105.07026	13.8
107.04951	6.6
107.08585	32.9
107.09266	2.7
109.06503	27.5
109.10145	26.9
111.04451	4.1
111.08087	13.0
113.09647	2.9
115.00645	1.4
117.07053	2.6
119.08594	6.4
121.02845	22.4
121.06487	7.4
121.10137	20.6
123.08064	4.6
123.11688	14.2
125.05970	2.2
125.09624	12.6
126.01058	81.8
127.01320	20.5
128.00764	34.7
128.02187	9.7
128.16034	1.3
129.01521	12.1
129.06944	1.9
131.08554	21.6
133.10114	14.8
135.04428	4.3
135.08061	6.3
135.11671	5.1
137.09624	2.9
139.07523	4.1
139.11163	1.7
145.10109	13.1
147.04384	3.2
147.11700	3.0
149.02319	14.7
149.05978	4.0
149.09598	25.8
149.13252	11.4
151.11163	37.1
153.05450	2.9
153.09119	13.6
158.10822	1.6
163.03905	5.7
163.07555	3.6
163.11136	9.1
163.14859	4.1
165.09117	2.6
167.01988	1.8
167.06992	2.2
167.10669	3.2
167.14299	69.5
171.06647	4.1
173.08257	2.0
173.09599	1.9
173.13269	6.4
174.08591	2.9
174.17012	1.5
177.01817	24.3
177.05505	2.3
181.03462	3.6
181.15874	1.3
182.02956	5.8
191.10648	13.6
191.14297	11.1
208.04732	2.8
209.04059	30.0
209.05881	29.6
209.11710	15.8
209.15324	43.1
209.17204	2.9
210.04788	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.41970	1.9
53.03950	1.7
55.01858	2.7
55.05508	9.6
56.72852	1.7
57.03432	1.7
57.07081	2.9
59.05008	3.1
59.18559	1.5
65.03946	4.1
66.78923	1.6
67.05501	10.1
68.99792	8.0
69.03425	7.0
69.07061	19.8
69.32777	3.3
69.33160	4.3
71.04987	14.7
73.00047	1.6
79.05492	6.0
81.03413	4.7
81.07039	14.5
83.04991	13.9
83.08609	5.3
84.20679	2.0
85.02922	1.7
85.06526	2.1
91.05466	9.3
91.17119	1.7
93.07036	13.5
95.04960	14.5
95.08605	42.3
95.51298	1.7
97.06541	13.9
98.23470	3.7
99.04459	4.2
99.08097	6.6
105.07023	12.8
107.04953	2.3
107.08586	40.6
109.06513	18.4
109.10153	21.5
111.08073	6.9
119.08564	8.2
120.02082	1.8
121.02879	20.6
121.06505	9.5
121.10134	36.2
123.08064	7.7
123.11738	7.3
125.09631	9.7
126.01070	3.2
131.08574	9.8
133.10123	40.3
135.04433	4.9
135.08064	14.7
135.11671	10.5
139.07524	3.4
139.11191	5.0
143.08563	3.2
145.10135	6.8
147.11664	13.1
149.02335	14.5
149.09639	13.6
149.13251	21.6
151.11172	100.0
153.09123	9.3
158.10916	4.7
163.03929	4.9
163.14818	11.7
173.13240	32.2
177.01817	24.6
191.14302	72.1
209.04454	5.9
209.15341	33.4
209.17180	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05506	9.7
57.07064	4.2
57.89432	1.3
59.04998	3.2
62.12030	1.3
65.03931	5.3
67.05501	11.5
68.99786	9.3
69.03418	12.6
69.07064	18.3
71.04983	11.3
79.05488	16.4
81.03411	4.6
81.07051	23.0
83.04978	15.8
83.08602	5.7
85.02898	1.3
85.06526	2.5
91.05469	15.7
93.03402	3.7
93.07046	18.7
95.04972	11.7
95.08599	34.2
97.06528	10.3
99.08090	3.7
101.14835	1.3
103.05412	1.4
105.07019	16.1
106.04147	4.6
107.04954	4.2
107.08588	45.4
108.10764	1.3
108.75854	1.3
109.06517	48.3
109.10141	20.1
111.04478	2.2
111.08057	3.7
117.07086	2.1
119.06151	1.4
119.08605	7.9
121.02874	17.7
121.06498	10.1
121.10136	41.1
122.10474	1.6
123.08052	11.5
123.11695	3.8
125.05959	3.4
125.09604	13.2
131.08553	11.8
133.10126	17.1
135.04437	3.9
135.08046	22.7
135.11678	7.4
137.06013	2.1
137.09604	4.7
139.07458	2.0
139.11136	3.0
143.08525	1.4
145.10132	4.6
147.11652	9.1
149.02336	14.7
149.05965	6.1
149.09622	16.3
149.13242	20.9
151.11172	100.0
152.03592	1.3
153.09088	3.8
158.10904	5.4
163.03880	7.5
163.11162	3.4
163.14832	7.8
165.12756	12.2
166.06282	1.4
167.10678	2.1
173.13263	18.7
177.01833	23.6
191.10689	1.9
191.14311	46.5
209.04260	3.2
209.06097	6.4
209.11656	2.3
209.15366	16.7
216.05713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.40285	2.1
55.01873	3.7
55.05506	12.3
57.03423	5.1
57.07063	4.1
59.04974	2.9
59.33630	2.4
65.03942	4.5
67.05502	42.1
68.44680	2.6
68.99781	4.1
69.07063	14.1
71.04990	20.1
79.05486	16.9
81.03404	2.8
81.07050	37.6
83.04968	9.4
83.08598	5.7
85.02882	2.6
85.06532	9.3
91.05476	21.4
93.03390	3.0
93.07037	44.9
95.04962	26.7
95.08611	15.3
97.06545	12.5
97.10148	6.2
99.08101	5.0
101.09642	2.2
105.07026	46.3
106.04156	5.6
107.08590	37.1
109.06505	54.4
109.10141	57.4
111.08083	8.5
117.07056	2.9
119.08567	21.4
121.02832	11.3
121.06477	7.4
121.10123	30.4
123.08057	14.6
123.11679	4.6
128.50623	2.3
129.06975	4.2
131.08566	30.7
133.10129	33.9
135.08054	27.2
135.11685	3.8
137.09642	4.6
143.08572	2.6
145.10120	9.4
147.08051	3.6
147.11661	20.7
148.69188	2.3
149.02345	16.7
149.05939	6.3
149.09604	30.8
149.13269	18.9
151.11192	23.9
153.09131	6.5
158.10898	3.3
161.13235	15.8
163.03923	2.6
163.11090	2.6
163.14830	4.0
173.13223	19.8
177.01840	8.6
179.14304	10.5
191.14284	100.0
207.85406	2.3
209.04329	3.9
209.06189	3.1
209.09650	3.1
209.15340	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	2.0
55.01864	2.0
55.05256	1.5
55.05508	26.4
55.75589	0.9
57.03441	1.1
57.07061	2.2
58.50678	0.8
59.04996	1.9
65.03943	1.2
65.13082	0.8
67.05488	3.2
68.99784	1.3
69.03419	2.7
69.07058	9.3
70.62015	0.9
71.01269	0.8
71.04572	1.1
71.04980	3.9
79.05483	7.6
81.07053	7.2
83.04980	30.0
83.08617	13.9
85.06526	1.9
91.05492	5.3
93.03371	1.0
93.06445	1.6
93.07040	30.7
95.04957	15.6
95.08601	7.4
97.06523	4.3
97.10172	4.2
99.04432	3.7
99.08072	1.1
105.07042	5.2
107.04979	1.1
107.08589	31.4
109.06502	9.0
109.10138	7.2
111.08054	4.9
116.64827	0.9
119.08562	3.1
121.02863	2.0
121.06534	1.5
121.10137	100.0
122.10466	2.0
123.11687	4.8
125.09605	4.9
131.08551	1.2
133.10094	4.7
135.08018	1.7
135.11676	3.2
145.10161	1.3
149.02336	3.2
149.06047	1.1
149.09590	1.4
149.13251	4.1
151.11169	14.4
153.09087	5.5
163.14813	20.9
167.14328	23.4
173.13310	2.4
175.53670	0.9
177.01816	3.5
191.14299	9.9
209.04317	1.2
209.06097	1.0
209.13371	1.3
209.15331	21.0
209.17212	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0601
Annotation	Methyl haematommate
Peak:m/z	Relative Intensity
53.16981	1.1
53.60437	1.1
57.83318	1.1
65.03923	3.7
67.05479	5.4
68.99748	1.5
69.07028	1.4
71.22622	2.3
76.47119	1.2
76.60968	1.1
79.05459	3.7
80.02613	1.6
81.23870	1.1
91.05487	1.9
93.03367	2.0
95.04962	54.3
95.08557	1.6
97.02864	1.8
105.04514	1.3
107.04899	1.7
108.02079	1.7
109.02856	1.5
109.06492	1.7
111.04398	2.2
121.02845	2.7
122.03664	7.2
123.04420	28.3
125.05968	3.6
126.01079	6.0
127.07519	3.6
136.01509	1.8
137.02374	1.2
137.05919	2.0
138.03082	2.3
139.03876	2.9
140.04648	5.5
141.05484	10.0
150.03096	3.4
151.03899	30.4
153.01804	6.3
153.05449	18.6
155.05836	2.2
155.07019	32.1
163.97787	1.9
165.01808	1.6
167.03340	3.7
168.04146	15.3
179.03395	15.5
181.04980	8.5
183.06519	100.0
184.06819	1.7
193.04935	6.2
196.03699	2.4
205.98827	1.4
211.05943	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.06
Annotation	Longissiminone A
Peak:m/z	Relative Intensity
52.03152	0.9
53.00301	0.6
55.01880	1.3
55.05510	1.6
65.03938	6.6
67.05499	7.3
68.99778	1.4
69.03419	1.0
69.07083	1.0
69.14321	0.4
73.38974	0.4
77.03933	0.6
79.05490	1.6
80.02614	1.1
81.03404	1.0
81.07033	2.2
83.04957	1.6
83.08620	1.0
84.05627	0.7
85.02895	1.5
91.05465	2.7
93.03394	2.3
93.07036	1.3
95.04962	100.0
95.08592	3.1
96.05288	1.3
97.02859	0.8
97.06519	1.6
98.03650	0.7
99.08122	0.7
105.07014	1.3
107.04927	0.5
107.08600	1.1
108.02093	3.0
109.06506	0.9
109.10165	5.0
119.08566	1.3
121.02866	5.1
121.10132	1.1
121.84786	0.4
123.03523	1.1
123.04424	20.5
123.08045	1.7
123.11694	0.9
125.02349	2.4
125.06016	2.1
125.06805	0.4
125.09624	0.8
126.01065	5.5
128.00757	1.2
133.06441	0.5
133.10123	1.9
135.11661	1.8
136.01555	2.3
137.02307	3.3
137.09578	1.6
138.03148	0.6
139.03880	0.7
140.04677	1.2
141.05453	23.1
149.13248	0.5
151.02841	0.6
151.03908	4.6
151.07538	1.4
151.11145	1.1
151.14833	0.6
153.01857	4.5
153.05455	13.2
153.06787	0.5
162.05504	1.2
165.01837	4.6
167.03418	2.6
168.04176	17.4
168.09290	1.0
169.04732	0.7
175.14803	1.4
179.02339	0.5
179.07025	4.5
181.04956	14.6
181.06517	0.6
182.01973	0.9
183.06454	0.7
183.11630	0.7
185.32008	0.4
193.08560	0.6
193.15971	0.9
196.03654	10.4
196.08803	0.9
211.05956	64.3
211.11192	3.6
212.06415	2.3
217.95648	0.5
225.85835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0601
Annotation	Longissiminone A
Peak:m/z	Relative Intensity
50.50718	0.4
51.02365	0.4
52.03159	0.5
53.00309	0.7
55.01861	0.5
60.20811	0.4
61.92415	0.4
61.96269	0.4
65.03934	6.6
65.09058	0.4
67.05502	3.0
68.99789	1.1
71.05415	0.5
78.72272	0.4
79.39672	0.4
80.02633	1.4
81.17334	0.5
83.45521	0.4
85.02882	0.6
88.64625	0.4
93.03413	2.1
95.04961	100.0
96.05303	1.3
97.02850	0.8
97.06512	0.8
98.03654	0.6
100.52054	0.4
108.02103	2.2
109.05275	0.8
110.03632	0.6
110.06033	2.4
121.02848	5.6
123.04418	17.3
125.02364	2.5
125.05994	2.7
126.01046	0.8
136.01553	1.7
137.02307	2.9
137.04698	1.0
138.03079	0.8
138.05469	1.2
139.02342	0.5
139.03888	1.0
140.04694	2.5
141.05452	24.1
148.03920	2.6
151.03896	5.5
153.01822	4.8
153.05444	3.8
155.07086	2.5
165.01831	3.2
166.04971	2.8
167.03380	2.7
168.04163	19.4
179.03381	0.8
181.04948	13.0
183.06529	6.1
196.03656	9.6
209.04282	0.5
211.05988	69.7
212.05476	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01871	4.4
56.28073	0.4
57.04557	0.5
65.03934	2.6
67.05486	1.8
77.03918	0.9
78.04707	0.9
79.05486	6.1
80.06281	0.5
81.03394	0.5
81.07059	1.0
83.04853	0.7
84.05625	13.4
90.03432	4.4
91.05473	38.8
93.07043	2.6
94.04159	0.4
95.04961	6.4
95.08572	0.6
99.00007	1.5
103.05457	3.9
105.03391	7.0
105.04512	1.3
105.07018	7.8
106.04148	0.7
107.04948	16.0
108.05717	1.7
109.06514	9.5
115.05417	0.8
118.04178	2.2
119.04933	42.4
119.08604	0.5
120.05254	0.6
121.06490	10.9
122.03629	0.8
122.07293	0.6
123.04436	3.0
123.08066	5.3
124.05172	0.6
125.02468	0.5
126.01060	89.5
127.01401	1.4
128.00772	9.2
131.04904	0.8
133.02846	0.6
133.06485	5.2
133.07608	4.4
134.03622	5.4
135.08133	0.7
136.05176	1.0
137.05948	3.2
144.02121	1.2
147.04391	7.4
149.05968	14.0
151.03909	1.6
151.07530	20.7
152.04694	0.4
153.05428	1.8
154.40811	0.4
155.07033	0.6
161.05969	3.4
165.05527	0.8
165.06946	0.5
165.09178	0.8
166.06479	0.4
167.03482	0.6
167.07016	12.1
168.03137	0.5
169.05292	1.7
175.09781	7.5
179.07040	6.1
181.08592	2.4
183.06523	4.6
183.08011	0.7
193.04828	0.4
194.04845	1.1
211.05812	4.8
211.07463	100.0
211.09543	7.5
212.07764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
54.82822	1.5
55.01866	2.3
55.05507	22.0
57.07067	5.3
59.04995	2.7
67.05495	32.6
69.03421	12.8
69.07059	25.9
70.69530	1.7
71.04983	4.1
71.08626	2.0
73.06534	2.2
75.85164	1.6
79.05486	8.8
81.03410	4.3
81.07047	34.8
83.04974	17.2
83.08619	10.9
84.05602	4.8
85.06538	4.6
91.05476	9.2
93.07037	14.1
95.04952	12.9
95.08598	51.5
97.06527	3.7
97.10163	5.1
99.08099	8.5
105.07029	12.2
107.08588	23.7
109.06509	12.6
109.10142	100.0
111.08079	6.4
119.08569	30.6
121.10135	16.5
122.07276	1.7
123.04415	2.3
123.08057	22.8
123.11686	15.8
125.09632	4.1
126.01057	31.9
127.11177	2.0
128.00742	9.1
131.08551	2.3
133.10115	32.3
135.10638	3.1
135.11676	61.6
137.09615	22.5
138.10393	3.4
139.11174	2.8
147.11659	4.5
149.13266	7.4
151.11186	10.5
151.14810	12.7
152.07033	1.8
153.12698	2.5
165.16379	2.9
167.06999	2.0
170.01472	1.6
175.09837	3.5
175.11230	1.8
175.14796	28.4
193.12253	3.2
193.15868	19.6
211.05745	6.7
211.07481	40.3
211.16888	3.1
212.05896	2.2
212.07826	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.19995	0.6
55.02989	0.8
55.05503	7.0
57.07058	2.1
59.04987	1.5
59.11315	0.5
65.03934	0.6
67.05500	13.1
69.03414	3.4
69.07060	10.6
71.04974	2.8
71.08617	0.9
79.05479	3.4
81.03415	1.2
81.07050	11.3
82.04071	5.0
83.03861	0.8
83.04383	3.4
83.04947	8.5
83.08605	3.5
84.05621	8.5
85.06528	1.9
90.03429	8.6
91.03761	2.1
91.04245	1.2
91.05465	3.1
92.04534	0.8
93.07035	5.7
94.75795	0.6
95.04957	7.3
95.08596	18.3
95.77849	0.5
96.05578	1.9
97.06523	1.8
97.10142	1.3
98.99993	0.8
99.08088	5.3
100.99675	3.2
102.00054	1.1
105.06996	5.5
105.23301	0.5
106.06518	0.7
107.07909	1.1
107.08583	10.5
109.05273	0.7
109.06494	3.8
109.10143	35.4
110.05561	1.4
111.08105	3.0
113.05951	0.8
119.08566	12.4
119.18900	0.6
121.10154	6.1
123.04452	0.8
123.08054	7.5
123.11708	5.3
125.09572	1.1
126.01054	56.3
127.01370	1.8
127.11176	0.7
128.00757	100.0
129.01025	34.2
130.01889	17.7
133.07605	2.1
133.10115	11.0
135.11676	21.4
136.11986	0.9
137.09592	9.7
139.11122	0.7
144.02090	0.8
146.01811	1.7
146.07137	0.6
146.89743	0.6
147.02129	0.7
147.11639	1.4
149.13240	2.4
151.11142	3.3
151.14784	3.3
153.12779	0.8
155.10649	0.9
165.16391	1.2
167.07045	2.1
169.05212	1.0
173.08192	3.1
174.08546	1.8
175.09763	4.8
175.14796	11.0
182.02863	0.9
183.03300	5.8
193.12187	0.8
193.15823	8.4
195.03249	1.6
210.04300	3.9
211.05484	37.0
211.07446	54.5
211.16898	2.7
212.07753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.17611	1.5
55.05507	17.1
57.03431	1.4
57.07069	4.4
59.04994	2.1
63.29815	1.5
65.03951	2.3
67.05495	45.8
68.31654	1.2
69.03426	8.4
69.07056	17.3
70.68530	1.3
71.04984	4.4
71.08591	1.4
79.05473	8.7
81.07053	30.8
83.04977	10.8
83.08623	10.9
85.06540	5.8
91.05485	5.8
93.07031	15.7
95.04980	4.1
95.08597	63.3
97.06552	2.5
97.10168	3.6
99.08106	4.9
105.07024	7.9
107.08578	29.6
109.06510	13.7
109.10146	100.0
110.10496	1.4
111.08080	3.8
113.06010	2.2
113.09655	1.7
115.07546	1.4
119.08573	24.7
121.10117	9.8
123.04423	2.2
123.08051	13.5
123.11700	12.6
125.09621	3.8
133.10117	23.8
135.11682	67.7
136.12006	1.5
137.09605	17.1
139.11159	3.1
147.11705	2.2
149.13220	9.1
151.11174	12.3
151.14803	10.2
152.60991	1.3
153.12758	2.0
163.14857	2.4
165.16411	4.1
167.06961	1.5
171.19994	1.7
175.14806	26.3
179.07016	3.6
181.13086	1.5
186.13109	1.2
193.08684	1.3
193.15877	22.6
198.75069	1.5
211.05707	3.9
211.07664	2.8
211.16890	15.6
234.74414	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47360	1.7
55.01865	2.4
55.05508	27.8
57.03430	5.0
57.07079	8.7
59.05004	8.3
67.05499	53.9
69.03429	10.4
69.07062	29.4
69.07405	3.0
71.04987	29.7
71.41953	1.9
79.05484	17.9
80.74944	1.6
81.03410	18.9
81.07054	57.6
83.04971	21.0
83.08607	22.3
85.06544	8.0
90.58495	1.8
91.05463	17.2
93.07038	34.5
95.04959	11.8
95.08599	86.1
97.06523	11.8
97.10167	9.3
99.04452	4.0
99.08092	6.7
105.07011	18.9
107.08586	41.9
107.09261	3.4
109.06514	14.8
109.10149	100.0
111.08089	7.2
111.11713	2.7
113.09649	4.6
115.07559	7.1
117.06996	2.0
119.08566	39.5
121.10132	23.5
123.04447	3.4
123.08059	16.8
123.11702	37.3
125.09632	4.9
131.08553	3.0
133.10123	38.0
135.11679	91.4
137.09605	20.4
137.13217	2.9
139.11180	2.6
141.12726	3.2
147.11665	9.7
149.13229	12.0
151.03926	2.5
151.11154	9.7
151.14836	10.8
153.12717	10.2
155.10655	4.9
157.41891	1.7
163.14839	3.0
165.16400	4.6
175.11232	3.1
175.14806	40.2
191.72729	1.6
193.12283	6.6
193.15837	27.0
211.13399	2.5
211.16890	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13382	3.3
55.01880	4.8
55.05509	18.0
57.07060	5.5
59.05964	3.4
62.13040	3.6
67.05502	34.7
69.03391	7.5
69.07072	17.6
69.20596	3.1
71.04984	6.5
71.08629	4.6
72.89824	3.0
76.05953	2.9
79.05462	9.1
81.07050	35.9
83.04980	14.5
83.08607	9.6
85.06496	3.3
91.05459	22.1
93.07039	17.1
94.93936	3.0
95.04951	37.0
95.08591	43.0
105.07040	7.6
107.08569	22.9
109.06505	14.2
109.10144	100.0
109.10894	5.9
111.08060	8.1
119.04975	4.1
119.08559	23.4
121.06483	5.1
121.10140	12.4
123.04433	22.2
123.08079	16.9
123.11681	14.0
133.06470	4.6
133.10092	21.7
135.11694	58.0
137.09625	26.9
139.03905	14.6
139.11078	3.5
141.05441	9.8
146.32684	3.6
150.03165	6.5
151.03873	3.6
151.11189	14.0
151.14792	14.5
151.87228	3.6
152.04669	4.6
165.05453	6.6
167.07048	13.5
169.04950	30.0
175.14787	20.8
178.02547	8.4
179.02141	3.3
179.07040	6.6
181.04880	4.9
193.04938	12.6
193.08620	4.7
193.15875	24.4
211.05943	23.5
211.07700	4.4
211.10997	5.1
211.14948	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	212.0584
Annotation	Imidacloprid-urea
Peak:m/z	Relative Intensity
56.05033	2.2
65.03938	1.7
70.02940	1.0
70.14480	0.7
71.06115	1.4
71.45528	0.3
80.04990	0.5
84.05618	6.0
85.04013	0.9
90.03439	1.3
90.99827	0.3
92.04995	3.0
93.05775	2.8
96.04487	0.6
97.06416	0.7
98.07160	0.7
98.99995	0.4
99.05570	29.0
105.04549	0.4
106.06555	0.8
107.06081	1.1
110.06024	1.3
110.54813	0.4
114.01079	3.5
119.06042	0.6
120.05610	0.4
123.05527	0.3
126.01060	27.1
127.01832	1.4
128.02621	100.0
129.02992	0.9
133.06383	0.8
133.07614	1.5
134.07130	0.5
137.04700	0.5
143.01854	1.5
144.02092	0.9
146.05893	1.0
146.07140	2.1
147.06635	1.9
148.08681	0.8
152.07054	5.1
153.01561	1.5
154.00967	0.4
158.07130	0.9
159.06656	0.5
159.07855	0.5
166.08635	0.9
168.01292	0.4
169.01817	1.1
169.03436	1.5
169.05251	1.6
173.08224	2.6
174.08989	5.6
175.09775	46.1
176.08186	1.5
176.10057	0.6
177.06342	0.3
177.10439	0.5
183.02452	0.9
194.04793	1.2
194.08125	3.8
195.03242	2.5
211.05568	19.3
212.05849	86.2
213.06151	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05032	2.8
56.96562	5.9
57.03430	0.3
61.02908	0.3
64.91257	0.2
65.63129	0.2
67.05517	0.4
69.03409	0.5
70.06587	0.3
70.72095	0.2
70.98107	0.3
71.95265	0.4
84.08136	100.0
84.96018	0.3
85.02890	0.5
85.08469	0.8
86.02734	0.2
88.71755	0.2
95.10611	0.2
97.02879	0.3
97.99184	0.2
98.97575	3.4
101.00884	0.5
112.07601	2.7
116.98620	2.3
119.01888	1.5
127.03904	0.4
128.98598	0.3
129.02132	0.3
130.93440	0.2
133.03404	0.3
134.99664	1.2
137.02879	0.3
142.96494	0.4
149.01195	0.2
158.06660	1.0
158.99504	0.3
161.02846	0.4
166.07127	0.3
170.06599	0.9
170.95944	0.3
176.07716	0.4
184.04721	0.4
184.08174	5.9
188.07651	0.8
188.97058	1.1
189.00713	0.3
189.04308	0.9
194.06566	0.7
202.09265	2.0
206.98083	0.8
207.01865	0.3
207.05432	0.7
212.07648	16.3
213.07875	0.6
230.08713	23.6
231.08833	0.8
232.39897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27690	0.6
69.03425	8.3
69.07074	1.3
82.05103	0.6
82.06603	0.9
84.08139	6.5
95.51482	0.6
98.06050	3.5
101.00905	0.9
112.07597	80.5
119.01908	1.6
122.04539	0.7
140.05557	9.1
158.06616	59.3
159.06813	2.3
162.06265	0.9
170.06598	13.3
173.05350	0.5
176.07669	34.2
177.07846	1.5
182.06650	0.6
185.05252	0.7
186.06108	1.3
188.07663	39.1
189.07788	1.0
190.07965	0.6
194.06577	3.1
200.07634	4.6
203.06541	0.6
212.07660	100.0
213.07903	3.9
230.08717	69.0
231.08968	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	Ethyl 3,5-dihydroxy-4-methoxybenzoate
Peak:m/z	Relative Intensity
55.01872	0.8
57.15652	0.7
65.03942	1.0
67.01853	1.0
67.05487	1.8
68.99782	1.8
70.29369	0.7
70.45414	1.7
75.04459	1.7
79.05480	2.1
80.02642	0.8
81.03391	1.6
81.07056	0.9
83.04957	0.9
91.05477	2.9
93.03402	1.7
93.07054	1.1
95.01350	1.0
95.04987	1.4
96.02090	1.0
97.06551	1.0
107.04955	6.2
110.03654	5.8
111.04445	5.4
121.02876	3.7
121.06481	0.8
123.00758	1.1
123.04437	0.9
123.08057	3.1
124.01568	0.9
125.05993	7.1
127.03915	2.6
128.00813	0.9
135.08041	1.5
137.02344	10.3
137.03391	1.3
138.03102	6.6
139.03900	14.6
142.06226	1.1
148.97346	1.5
149.02304	2.8
151.07521	1.4
153.01767	1.1
153.05476	4.4
154.06256	13.5
155.03365	1.8
156.04179	1.4
163.07559	1.3
165.01836	46.7
166.02586	6.3
167.03394	57.9
167.07036	6.8
167.08514	2.8
169.04926	6.7
170.05745	5.5
181.04980	8.9
182.05756	0.8
183.02856	2.6
185.08173	7.0
195.08057	2.4
197.04456	1.2
198.05231	51.0
199.05556	0.9
213.07564	100.0
214.07948	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.00320	0.3
53.03947	0.3
55.01873	1.1
55.05516	0.3
57.03413	0.3
65.03929	0.3
67.05495	0.5
77.03931	0.7
77.58108	0.3
78.04709	2.2
79.05486	8.1
81.07058	1.0
88.07606	0.4
91.05465	3.9
93.03412	0.5
93.07035	0.6
95.04958	2.7
97.06537	0.5
98.22733	1.1
98.97566	0.5
99.90728	0.3
103.05462	7.2
105.03410	0.4
105.04493	0.7
105.07021	6.1
106.04149	1.7
107.04949	59.6
107.08582	0.9
108.05273	0.9
109.06512	0.6
110.03693	0.8
111.04442	0.7
115.05463	3.9
116.98669	0.5
117.07000	1.9
119.04913	0.7
120.05721	2.2
121.06468	0.8
122.03668	0.6
123.04420	6.8
123.05277	0.5
124.05213	3.1
125.05965	1.4
127.03912	0.6
128.00801	0.6
128.10677	0.8
131.04939	2.3
133.02905	0.3
133.06497	1.2
134.03606	0.6
135.08043	15.0
137.02336	0.8
137.05974	1.3
138.03102	0.7
139.03889	2.4
140.10736	0.6
145.06555	0.5
145.07584	1.7
147.04408	1.2
148.97334	0.7
149.05994	0.9
151.03880	1.7
152.04672	2.4
152.05899	0.4
153.05461	0.6
154.06238	3.8
156.10191	0.5
163.07533	24.8
164.07903	0.4
165.01843	4.4
165.05554	0.9
166.02539	0.5
167.03377	5.4
167.07028	100.0
168.07323	1.2
168.10204	0.5
169.05003	0.4
170.05783	0.6
180.07816	3.5
181.04932	0.6
185.08253	0.6
195.08110	1.1
195.10141	14.2
198.05211	4.9
213.07567	9.1
213.09424	0.6
213.10855	2.1
213.16090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.15111	0.5
53.42614	0.5
55.01857	0.9
55.05502	0.7
63.00035	2.0
67.05489	0.7
69.15993	3.0
70.06571	0.5
77.03927	0.8
78.04707	2.5
79.05487	8.4
81.03440	0.6
81.07045	1.1
88.07616	1.1
91.05475	4.4
93.07024	1.1
94.04227	0.7
95.04966	3.3
98.22688	0.9
98.97576	0.6
103.05454	7.9
105.04481	0.7
105.07025	5.6
106.04186	1.8
107.04947	55.8
107.08587	1.0
109.02890	0.5
109.06520	0.5
110.03663	0.5
115.05447	3.8
116.98604	0.5
117.06993	1.2
119.04862	0.6
120.05686	2.4
121.06547	0.8
122.03648	0.7
123.04421	6.0
124.05196	4.2
125.05998	1.1
125.28997	0.5
127.03913	0.7
128.00829	0.8
130.96280	0.8
131.04944	3.0
133.06480	0.7
134.03635	0.7
134.99643	0.7
135.08034	15.3
137.06024	1.0
139.03883	1.3
145.07629	1.2
147.04398	1.4
148.97379	1.1
149.05971	0.7
149.07072	0.5
151.03934	1.5
152.04683	2.1
152.06215	1.9
154.06239	2.6
154.96428	0.5
163.07529	25.0
164.08002	0.6
165.01833	0.6
165.05557	0.9
165.07004	2.7
166.07773	0.6
167.07043	100.0
167.08496	10.1
168.07378	1.3
169.06491	0.6
177.06990	1.6
180.07773	2.6
185.05910	0.7
195.08067	7.7
195.10170	13.0
198.05237	0.8
207.90843	0.5
213.05446	1.1
213.07339	1.2
213.09129	3.0
213.11107	1.1
217.91734	0.5
231.02954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1273
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
55.01870	0.7
55.05499	2.7
57.03413	0.7
57.07051	0.8
67.05496	0.9
69.03421	2.0
69.07359	4.3
73.31258	0.5
79.05482	1.6
81.07056	3.5
88.07605	2.0
91.05474	4.1
93.07036	1.9
95.04937	1.6
105.04521	0.6
105.07028	7.1
115.05452	2.1
117.06977	1.8
117.57479	0.5
119.08567	1.2
121.06496	1.7
128.06209	14.1
129.06999	13.5
131.08569	2.4
133.06519	0.6
138.27739	0.5
141.06972	7.2
142.07765	9.3
143.08546	29.4
145.06479	5.0
145.10115	1.6
148.97733	0.6
152.06226	1.2
153.06976	3.8
154.07756	1.7
155.06030	1.6
155.08546	14.6
156.09332	8.9
157.06462	1.5
157.10110	16.6
158.07295	1.6
159.08018	0.6
165.06987	15.0
166.07767	2.1
167.08531	5.3
168.09335	0.6
169.06519	2.5
169.10112	9.1
170.10889	6.0
171.08040	24.8
171.11676	10.0
172.08806	2.4
179.08504	2.9
180.09325	12.2
183.08011	5.6
183.11697	1.8
184.08803	5.6
184.12445	1.1
185.09610	5.2
185.13222	14.5
185.14729	1.1
195.07977	0.8
195.11673	25.6
197.09596	2.4
198.10382	9.6
210.75955	0.6
213.12723	100.0
214.13057	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	213.1273
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
55.01863	0.8
55.05499	3.0
57.03421	0.7
67.05476	0.9
69.03417	2.7
69.43750	0.7
74.35651	0.7
78.86748	0.7
79.05481	2.5
79.05956	0.7
81.07040	4.4
88.07616	2.5
91.05460	3.9
93.07024	3.4
95.04961	3.1
103.05508	1.1
105.07027	6.1
109.06471	0.8
112.91842	0.7
115.05434	3.3
116.06190	0.9
117.07007	2.3
119.08549	1.2
121.06459	1.4
128.06209	13.1
129.06999	17.6
131.08583	4.0
133.06444	1.3
141.06969	11.6
142.07780	12.6
143.08551	29.3
144.09280	1.3
145.06470	4.9
145.10071	0.7
152.06232	0.7
153.06964	5.6
154.07755	3.3
155.06023	1.0
155.08527	21.0
156.09331	12.1
157.06508	1.5
157.10114	24.6
158.07234	1.5
159.08005	1.7
165.05652	1.3
165.06996	18.5
166.07695	2.2
167.08565	5.8
168.09320	1.0
169.06480	1.4
169.10095	10.4
170.10915	5.9
171.08057	16.1
171.11678	11.9
172.08774	1.5
179.08490	1.6
180.09309	11.8
182.10779	0.9
183.08028	5.7
183.11711	2.7
184.08804	3.5
184.12416	2.5
185.09622	4.1
185.13242	19.4
186.41571	0.8
195.11662	25.7
197.09573	2.2
198.10406	9.7
198.12125	1.2
213.12724	100.0
214.13110	3.0
234.12801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81255	1.0
53.03921	1.4
54.44791	0.9
55.05496	3.7
67.76353	1.0
69.03415	2.7
69.07076	1.5
71.03446	1.0
71.03835	0.8
71.04996	1.4
75.09615	0.9
79.05482	3.2
81.03414	1.0
81.07040	2.8
88.07607	3.1
91.05462	5.3
93.07015	3.8
95.04955	4.5
98.97581	1.8
105.07018	7.8
115.05437	4.0
116.98579	1.2
117.06992	3.2
119.04909	1.2
119.08555	1.9
120.29521	0.9
121.06456	3.2
125.79919	0.9
125.80860	0.9
128.06207	13.4
129.07018	15.8
129.62376	1.0
130.07791	1.0
131.08563	5.1
131.35269	0.9
133.06580	1.0
134.99661	1.4
141.06984	11.0
141.41389	1.0
142.07770	12.1
143.08546	40.6
144.09265	1.8
145.06480	4.0
145.10138	2.5
153.06998	6.7
154.07773	4.3
155.06018	1.6
155.08536	25.1
156.09328	12.9
157.06465	2.3
157.10104	21.5
159.08008	2.4
165.06989	23.1
166.07726	2.4
167.08562	8.5
169.10135	12.7
170.10892	7.6
171.08025	16.7
171.11664	18.1
172.08788	4.6
179.08536	3.6
180.09309	17.4
183.08041	6.4
183.11700	3.2
184.08807	2.8
184.12520	2.6
185.09610	8.7
185.13219	19.7
195.11667	31.7
197.09560	2.2
198.10394	10.7
213.12726	100.0
214.13081	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	213.1272
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
51.95256	0.6
55.05495	2.3
57.03412	1.0
69.03423	2.8
75.38464	0.5
75.93182	0.5
79.05508	3.4
81.07063	3.5
83.04977	0.8
91.05468	4.5
93.07027	2.2
95.04961	3.4
103.05420	0.7
105.07008	6.3
110.67809	0.6
115.05423	2.9
117.06994	1.7
117.17001	0.6
119.08545	1.5
121.06483	1.3
128.06204	15.6
129.07004	14.0
131.08543	3.4
141.06976	10.7
142.07758	12.4
143.08546	33.8
144.09328	0.9
145.06487	3.6
145.10138	1.6
152.06189	1.1
153.06981	6.2
154.07806	3.7
154.72673	0.5
155.05986	1.3
155.08536	19.8
156.09329	11.6
157.01001	0.6
157.06496	2.6
157.10107	20.1
158.07237	1.6
159.08078	1.5
165.06978	20.7
166.07826	3.0
166.09026	0.5
167.08566	6.0
168.09267	0.8
169.06392	0.9
169.10109	9.3
170.07236	0.9
170.10889	7.1
171.08044	18.1
171.11656	11.0
172.08801	5.0
173.09555	1.0
179.08548	3.2
180.09311	14.8
181.09845	0.6
183.08035	7.8
183.11589	3.2
184.08844	3.2
184.12471	2.2
185.09637	6.9
185.13231	18.5
195.11671	26.7
196.11974	1.4
197.09659	1.4
198.10378	11.1
213.12717	100.0
214.13010	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51816	0.6
53.17954	0.6
55.05495	2.7
55.54807	0.5
57.03430	1.0
58.59500	0.6
67.05511	1.4
69.03429	4.7
69.09876	1.3
69.10281	3.0
71.04969	0.8
77.03893	0.6
77.78400	0.5
79.05479	2.7
81.07055	1.6
91.05481	4.4
93.07024	2.7
94.90564	0.6
95.04943	3.0
98.91355	0.6
102.98996	0.6
105.07019	7.2
107.04939	0.9
115.05455	1.9
116.06223	0.7
117.06976	1.1
119.08549	1.3
121.06481	1.8
128.06200	9.6
129.07005	12.5
131.08545	3.5
133.06451	0.7
135.07983	0.7
141.06961	8.0
142.07768	15.0
143.08551	22.2
144.09334	1.0
145.06483	3.0
145.10129	1.6
153.06966	4.3
154.07744	1.8
155.06007	0.7
155.08549	18.5
156.09328	13.4
157.06445	2.2
157.10110	25.6
158.07257	1.7
159.08038	2.0
165.06992	18.3
166.07706	1.7
167.08580	4.0
168.09286	0.8
169.06462	2.2
169.10115	5.8
170.10889	7.6
171.08043	13.1
171.11674	9.5
172.08801	4.0
179.08514	2.4
180.09322	17.6
183.08047	11.4
183.11745	1.2
184.08824	3.6
184.12503	1.1
185.09633	6.1
185.13240	20.2
186.09816	0.7
192.39897	0.6
195.11676	27.0
196.11995	0.8
197.09570	2.2
198.10387	15.6
213.12723	100.0
214.13036	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1273
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
55.01851	0.9
55.05496	2.1
55.50571	0.5
57.03413	0.8
57.07077	0.8
60.11699	0.5
67.05490	1.3
69.03416	5.4
69.07076	0.8
71.55483	0.6
79.05474	2.9
80.67923	0.5
81.03445	0.7
81.07041	2.8
83.04993	0.9
88.07623	2.8
91.05474	4.6
93.07040	3.1
95.04955	3.3
105.07021	7.1
107.04951	1.3
107.08578	0.9
115.05438	2.3
117.07001	1.5
119.04958	0.8
119.08569	1.5
121.06487	2.0
128.06201	11.7
129.06992	12.2
131.08553	4.6
133.06497	0.9
141.06960	7.4
142.07765	14.6
143.08554	25.2
144.09340	0.9
145.06493	2.2
145.10107	1.5
153.06952	3.7
154.07718	2.4
155.05988	1.4
155.07294	1.2
155.08545	18.1
156.09323	11.7
157.06451	2.3
157.10110	26.5
158.07228	1.9
158.10298	0.6
159.08055	2.2
165.06982	21.1
166.07672	1.1
167.08569	5.2
168.09425	1.2
169.06528	1.2
169.10103	7.6
170.10893	9.6
171.08041	13.3
171.11662	10.5
172.08810	5.3
179.08519	3.0
180.09315	16.3
183.08037	12.1
183.11624	1.8
184.08784	4.0
184.12367	0.9
185.09663	6.6
185.13234	24.8
195.11661	28.1
196.12190	0.7
197.09555	1.6
198.10374	17.0
213.12718	100.0
214.13062	2.5
214.25278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1272
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
51.30366	0.5
51.94860	0.6
55.01867	1.4
55.05515	3.6
57.03429	0.7
58.65686	0.5
65.03912	0.6
67.05500	1.1
69.03401	2.1
69.07060	0.6
70.14500	1.4
70.14869	1.4
71.04969	0.8
77.03906	0.7
78.66661	0.7
79.05482	2.8
81.07040	2.3
83.04977	1.3
87.91699	0.5
91.05472	5.4
93.07032	3.9
95.04980	3.6
98.22731	0.7
99.17999	0.6
103.05486	0.7
105.07012	9.1
107.04930	0.7
107.08558	0.8
115.05445	2.3
117.07007	2.5
119.04906	1.1
119.08569	2.2
121.06467	1.9
124.60638	0.6
128.05328	1.2
128.06216	16.6
128.74869	0.7
129.06999	16.0
130.07771	0.8
131.08542	3.9
141.06975	11.1
142.07764	12.7
143.08545	40.2
144.09224	1.4
145.06482	4.4
145.10088	2.6
152.06227	1.1
153.06996	5.3
154.07750	4.7
155.06041	1.7
155.08533	24.5
155.09790	1.4
156.09348	11.9
156.40712	0.6
157.06479	2.3
157.10115	21.1
158.07259	1.7
159.08081	1.6
164.12759	0.6
165.06985	24.4
166.07690	2.5
167.08543	8.8
168.09256	1.4
169.06491	1.7
169.10120	13.1
170.07285	1.0
170.10904	8.4
171.08037	18.0
171.09439	1.2
171.11655	15.2
171.13046	1.1
172.08812	5.6
179.08553	3.7
180.09323	21.3
181.09775	0.7
183.08026	6.7
183.11656	2.4
184.08809	3.6
184.12428	1.8
185.09641	7.8
185.13234	24.3
190.03952	0.6
195.11673	36.3
196.12045	1.0
197.09662	1.3
198.10382	11.5
202.29562	0.6
211.11201	0.7
213.12718	100.0
214.12976	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1273
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
55.01874	0.9
55.05493	2.9
57.03408	0.7
67.05485	1.1
69.03423	2.0
69.07050	0.8
71.04967	0.8
77.05608	0.7
79.05491	3.7
81.07059	4.7
83.04969	0.9
88.07621	1.9
91.05475	4.2
93.07060	3.9
95.04955	2.8
105.07034	8.8
107.08582	0.9
115.05428	3.6
117.07019	1.4
119.04877	0.9
119.08553	1.6
119.19185	0.7
121.06504	1.6
127.03926	1.2
128.05331	1.3
128.06212	15.8
129.07001	20.0
129.07965	1.1
131.08574	5.3
141.06963	11.7
142.07776	15.4
143.08553	39.5
144.09280	1.6
145.06471	4.1
145.10094	1.8
147.08194	0.7
152.06244	1.1
153.06975	7.8
154.07785	3.2
155.05998	2.0
155.08545	22.8
156.08144	1.2
156.09341	16.3
157.06493	2.9
157.10107	25.4
158.07257	1.6
158.10443	1.0
159.08061	2.1
165.06987	25.0
166.07684	2.5
167.08545	8.7
168.09335	1.5
169.06444	2.0
169.10123	11.1
170.07266	1.1
170.10881	9.3
171.08031	20.0
171.11688	12.9
172.08806	6.1
173.09483	0.8
179.08540	4.3
180.09338	17.0
183.08037	8.0
183.11693	4.5
184.08850	3.4
184.12448	2.4
185.09634	7.8
185.13239	23.7
193.10089	0.9
195.11678	36.3
196.11842	1.1
197.09628	1.8
198.10396	11.7
213.12724	100.0
214.13049	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1273
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
55.05494	0.9
61.13276	0.2
74.41698	0.2
81.07046	0.3
91.05459	0.8
93.07017	0.5
95.04939	0.2
103.79110	0.2
105.07017	1.2
107.08492	0.3
115.05431	0.9
117.07008	0.2
119.08542	0.3
123.52602	0.2
128.06204	5.0
129.06995	7.3
130.07785	0.5
131.08556	0.8
141.06964	2.0
141.36174	0.3
142.07761	5.7
143.08557	6.6
144.09305	0.7
145.06464	0.6
145.10126	0.3
153.06970	0.6
154.07709	0.3
155.08531	6.1
156.09314	2.1
157.06522	0.4
157.10120	5.0
159.07999	0.7
165.06996	2.2
167.08578	0.4
168.09280	0.5
169.06337	0.5
169.10120	2.2
170.10881	5.3
171.08076	1.9
171.11523	0.4
172.08859	0.4
179.08557	0.5
180.09296	1.2
183.08000	2.2
184.08824	1.1
185.09631	1.0
185.13229	5.3
186.13632	0.2
195.11571	0.5
197.09618	0.5
198.08519	0.3
198.10371	7.2
213.12714	100.0
214.13045	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
54.11409	1.8
55.01889	4.0
55.05506	25.8
55.59829	2.1
57.03436	8.0
57.07071	2.6
67.05501	76.8
69.03412	2.5
69.07062	29.5
69.60176	2.1
70.54410	2.8
70.54736	2.2
71.04983	7.4
73.02926	2.2
77.03946	2.2
79.05489	40.6
81.03408	4.1
81.07050	100.0
83.04982	8.7
83.08614	21.2
85.06535	4.0
85.69328	2.2
88.07619	3.6
91.05481	23.3
93.07044	56.1
93.07609	4.6
95.04966	5.3
95.08606	24.6
97.06499	12.9
105.07043	12.8
107.08582	31.3
109.06470	2.3
109.10246	2.4
111.08091	7.1
117.07042	15.7
119.08594	4.7
121.10124	17.4
123.11705	3.3
127.03926	4.5
128.06236	5.3
129.07019	9.9
131.08571	9.9
133.10147	13.3
135.08067	2.7
135.11696	11.3
141.06955	2.4
141.17372	2.5
142.07834	4.6
143.08554	9.3
145.10097	5.9
149.13237	29.5
155.08635	3.5
156.09326	2.7
157.10138	13.5
159.11725	16.9
165.07033	2.1
169.10208	2.2
171.11716	9.1
177.12750	5.9
180.09369	2.2
183.08109	2.3
185.13292	5.3
195.13806	6.0
197.84210	2.3
198.10461	2.5
204.18106	2.2
213.05473	5.6
213.09077	2.7
213.12740	42.5
213.16228	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	213.1485
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03935	2.4
54.02440	0.8
55.01621	1.1
55.01871	19.9
55.05508	84.9
57.03427	2.2
57.07072	1.1
59.04974	3.3
61.46474	0.8
63.76012	0.9
67.05499	32.8
69.03422	7.7
69.07061	15.8
69.67625	2.0
70.06577	1.8
71.04988	81.4
77.03931	1.0
79.05490	24.1
81.03385	2.1
81.06570	1.1
81.07054	34.3
83.04988	6.1
83.08614	53.4
84.08916	0.8
85.02884	1.3
85.06538	7.9
87.04462	11.9
88.07639	0.9
91.05462	8.4
93.07038	21.9
95.04935	2.8
95.08604	11.9
97.06525	99.9
97.10161	73.5
98.06851	1.0
98.10490	1.2
101.03905	1.1
101.05993	2.3
101.09632	4.0
102.56905	0.8
105.03274	0.9
105.07017	5.6
107.04919	2.8
107.08581	24.6
109.02883	1.7
109.06502	2.4
109.10145	16.0
111.08073	5.6
113.06013	1.6
117.07007	5.3
119.08540	2.7
120.29939	0.9
121.06481	2.5
121.10134	3.7
125.09624	44.8
127.03925	1.2
129.03352	2.2
129.06992	1.8
131.08522	4.3
133.10109	5.8
135.08031	6.8
135.11687	5.6
136.07512	1.1
142.07738	2.8
143.08514	2.5
147.11664	1.4
148.85112	0.9
149.09532	1.3
149.13304	4.6
151.04123	0.9
153.09050	2.1
157.02802	2.6
157.03981	1.6
157.10094	3.6
159.11690	6.8
163.07516	1.3
167.07005	3.9
167.08382	0.8
167.14261	1.7
171.07968	0.9
171.10081	0.9
171.11620	1.6
177.12733	8.0
185.02333	1.0
185.13203	1.6
189.11200	9.7
195.12125	1.5
195.13786	42.3
196.14198	1.5
213.01842	9.7
213.09105	2.4
213.12799	5.7
213.14809	100.0
214.15218	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.0
53.03942	3.9
55.01866	3.1
55.05508	50.8
57.07079	12.3
57.07318	2.7
59.04994	7.5
67.05499	21.2
69.03421	4.0
69.07065	99.9
70.06596	3.5
70.06931	2.8
71.04989	18.2
71.08631	3.3
77.03934	1.8
79.05481	13.7
81.03429	3.2
81.07056	64.5
82.07397	1.9
83.04988	8.9
83.08627	22.6
85.06541	33.6
91.05476	9.5
93.07042	40.7
95.08602	100.0
97.06522	6.6
97.10160	23.9
99.08096	28.6
101.03903	6.6
105.07029	6.2
107.08589	68.1
109.10155	31.0
111.08075	10.7
111.11707	9.0
113.09641	13.2
119.08611	1.8
121.09262	4.3
121.10136	78.0
123.11701	13.8
123.48361	1.7
125.09620	9.9
127.03907	4.7
127.11173	2.5
129.03386	13.0
129.04224	2.1
133.02806	1.9
135.11699	35.4
137.13240	37.0
139.11140	11.3
139.53018	1.9
143.08565	2.2
147.04395	2.2
149.13248	9.3
151.14807	2.7
153.12761	7.6
157.02837	13.7
157.03949	3.7
157.10170	4.1
177.16373	74.7
178.16797	3.2
185.02365	4.1
195.05443	3.1
195.17456	14.7
213.01839	30.6
213.06876	2.6
213.09012	2.6
213.12752	4.0
213.16537	4.0
213.18475	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	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.02391	2.0
53.03942	3.9
55.01866	3.1
55.05508	50.8
57.07079	12.3
57.07318	2.7
59.04994	7.5
67.05499	21.2
69.03421	4.0
69.07065	99.9
70.06596	3.5
70.06931	2.8
71.04989	18.2
71.08631	3.3
77.03934	1.8
79.05481	13.7
81.03429	3.2
81.07056	64.5
82.07397	1.9
83.04988	8.9
83.08627	22.6
85.06541	33.6
91.05476	9.5
93.07042	40.7
95.08602	100.0
97.06522	6.6
97.10160	23.9
99.08096	28.6
101.03903	6.6
105.07029	6.2
107.08589	68.1
109.10155	31.0
111.08075	10.7
111.11707	9.0
113.09641	13.2
119.08611	1.8
121.09262	4.3
121.10136	78.0
123.11701	13.8
123.48361	1.7
125.09620	9.9
127.03907	4.7
127.11173	2.5
129.03386	13.0
129.04224	2.1
133.02806	1.9
135.11699	35.4
137.13240	37.0
139.11140	11.3
139.53018	1.9
143.08565	2.2
147.04395	2.2
149.13248	9.3
151.14807	2.7
153.12761	7.6
157.02837	13.7
157.03949	3.7
157.10170	4.1
177.16373	74.7
178.16797	3.2
185.02365	4.1
195.05443	3.1
195.17456	14.7
213.01839	30.6
213.06876	2.6
213.09012	2.6
213.12752	4.0
213.16537	4.0
213.18475	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	214.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.9
58.06586	1.2
65.38595	0.7
67.89661	0.7
69.03397	0.9
69.07063	9.3
77.90471	0.6
82.99859	2.1
84.08138	1.3
86.09702	86.2
97.06522	10.5
98.97581	2.4
100.02471	1.1
101.00872	26.2
104.96437	0.6
112.02453	0.8
112.07587	2.5
116.98617	1.5
118.03523	8.7
119.01916	100.0
120.02029	3.3
126.03947	0.7
130.03500	2.6
131.01904	3.7
136.04559	1.4
137.02954	32.1
138.03058	0.8
142.03517	1.6
144.05040	3.0
144.08707	2.3
145.03450	1.0
149.02942	1.2
154.03435	1.1
155.05527	1.6
156.04567	0.6
160.06346	1.6
161.03102	0.7
162.09776	2.0
168.08717	3.0
172.04503	2.6
172.06129	1.0
173.02966	2.1
173.06572	2.5
186.09750	55.9
187.09875	2.2
190.07507	0.9
191.03926	1.7
191.07700	1.7
196.08167	2.3
197.06551	4.0
204.10805	26.3
205.10974	1.1
209.11499	0.8
214.05766	1.4
214.07739	1.7
214.09245	29.2
214.14095	7.1
215.07639	5.7
232.10301	66.7
233.08646	2.5
233.10535	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.143
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
52.50681	2.5
55.05505	5.0
57.07071	4.6
58.81398	2.4
67.05479	5.8
69.07059	4.6
72.93751	2.6
74.09720	13.9
74.96092	2.4
79.05489	7.6
81.07042	14.0
83.08601	2.9
91.05475	15.5
93.07050	14.9
95.04948	7.9
95.08595	15.0
105.07018	29.2
107.08581	9.3
108.06863	5.2
109.06535	3.6
109.07634	3.7
110.49768	2.3
115.05423	4.4
116.05334	3.0
116.06198	3.7
117.07029	16.8
119.08556	22.9
121.06509	3.5
123.08029	3.6
125.07098	3.6
128.06227	6.1
129.06981	16.4
130.07755	9.2
131.08563	43.1
131.97365	5.9
132.95840	5.0
133.10101	8.7
137.07043	11.9
141.06984	9.8
142.07761	39.2
143.08553	27.9
143.99016	2.5
144.09279	6.9
145.10106	72.6
150.96849	8.7
153.06961	3.5
154.07724	3.8
155.08533	23.6
156.09315	11.1
157.10112	93.3
158.07181	4.3
158.10872	17.8
159.08076	15.4
159.11670	56.3
160.08900	4.0
167.08519	18.4
169.10069	25.9
171.11714	12.2
172.12364	2.6
173.09587	26.4
173.13191	14.1
179.08116	7.1
182.10902	28.9
185.09595	3.7
187.11119	3.4
187.14801	49.4
197.09113	5.1
197.13228	42.0
200.11913	2.8
214.25250	3.2
215.10306	8.4
215.14282	100.0
215.17836	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	215.1429
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03945	1.0
55.01852	0.7
55.05501	4.5
57.03424	1.4
57.07056	1.5
59.59789	0.5
65.03941	1.1
67.05496	6.0
69.03410	1.4
69.07047	2.8
71.04974	1.7
72.93790	0.6
74.09695	4.1
77.03926	0.6
79.05476	10.3
81.07042	15.6
83.04951	1.4
85.06530	1.1
91.05464	21.3
93.07028	15.1
95.04953	6.2
95.08593	9.9
97.06521	1.6
103.05451	1.5
105.04513	1.1
105.07014	32.4
105.07733	1.6
107.08582	10.0
109.06522	3.2
115.05431	4.3
116.05410	0.7
116.06213	2.3
117.06995	21.1
119.04922	0.9
119.08562	18.2
121.06470	3.7
121.10126	0.7
123.08041	1.9
128.06197	7.0
129.06992	22.4
129.07951	1.1
130.07787	6.2
131.08548	44.3
132.09407	4.2
132.95804	2.0
133.06537	0.7
133.10118	5.3
135.08046	2.6
136.73164	0.6
137.07063	2.5
141.06960	9.3
142.07751	33.7
143.08537	25.2
144.09314	6.0
145.06450	4.1
145.10103	59.8
146.10493	1.3
147.08015	3.6
150.96881	4.3
153.06956	4.0
154.07750	2.0
155.08525	22.4
155.34917	0.6
156.09334	8.2
157.10100	73.5
158.07253	1.8
158.10909	9.5
159.08060	10.6
159.11665	46.5
160.08746	0.9
160.12033	1.3
161.09613	1.6
167.08556	8.7
168.09372	3.3
169.07777	0.9
169.10089	16.0
169.11479	1.2
171.11670	14.4
172.08771	1.2
172.12440	3.3
173.09602	15.6
173.13219	10.4
174.10181	0.8
179.08150	1.2
182.10883	14.6
185.09627	1.6
185.13251	4.6
186.10373	1.4
186.14011	1.8
187.11177	4.9
187.14786	32.9
191.97134	1.1
197.09229	0.8
197.13220	29.6
198.13519	1.0
200.11920	1.8
215.14273	100.0
216.14619	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1429
Annotation	LMPR0103220001
Peak:m/z	Relative Intensity
55.05496	0.6
57.07076	0.5
62.98259	0.6
69.07072	0.6
69.87527	0.5
69.87862	0.7
72.93788	0.4
74.09712	3.1
79.05484	0.6
88.02197	0.4
91.05470	1.2
95.04948	0.4
99.68816	0.4
105.07008	0.8
107.04955	1.6
115.05431	1.4
116.05260	0.6
116.06274	0.3
117.07003	3.9
125.07102	0.5
128.06181	1.0
129.07048	1.9
130.07773	0.7
131.04913	4.1
131.08534	1.1
131.97452	0.6
132.05673	1.2
132.95807	0.9
133.06503	0.4
135.55688	0.4
137.07086	0.7
141.06938	0.6
143.08536	0.8
144.05685	5.1
145.06471	26.2
145.10112	5.4
146.06783	0.7
149.09592	0.6
150.96872	1.1
153.06947	2.5
154.07744	1.4
155.06010	2.3
155.08551	6.9
157.06474	3.4
157.10033	0.5
158.07262	8.2
159.08037	7.0
159.11687	0.5
160.16119	0.4
171.08006	3.1
172.08804	5.4
173.09596	62.1
173.98413	0.4
174.10103	2.0
182.10823	0.5
183.09160	10.3
184.87584	0.4
185.09581	3.1
186.10408	0.5
187.11127	3.9
200.08302	0.6
200.11919	6.6
214.21629	0.9
214.25237	0.5
215.14281	100.0
216.14711	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	215.1429
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
50.77826	0.9
51.73502	1.0
53.03937	1.3
55.05494	4.1
57.03419	2.1
57.07081	1.2
64.26202	0.9
67.05491	5.5
69.03415	3.4
69.07045	3.0
69.31403	4.3
69.31811	2.0
71.04991	2.3
72.93836	1.0
74.09702	2.4
77.03925	1.6
79.05482	7.4
81.07056	12.8
83.04970	1.5
91.05471	13.9
93.07037	11.2
93.15688	1.0
95.04942	4.4
95.08585	9.2
98.22726	2.5
103.05462	1.5
105.04510	1.1
105.07023	21.4
107.08590	6.6
109.06491	3.6
115.05441	3.5
117.07005	16.7
119.08566	15.3
121.06494	3.4
123.08018	1.8
123.94573	1.0
125.07170	1.5
128.06201	6.6
129.06107	1.5
129.06995	16.9
130.07758	5.7
131.08546	38.0
132.09306	1.8
132.95779	1.3
133.10143	5.5
135.08020	2.6
137.07109	5.3
141.06967	8.7
142.07755	31.9
143.08545	28.8
144.09299	7.5
145.06490	5.2
145.10106	52.9
146.10526	1.3
147.08049	1.3
150.96869	2.8
152.33533	1.0
153.06992	3.4
154.07761	2.5
155.08536	22.4
156.09309	10.0
157.10112	77.2
158.07259	1.9
158.10893	22.1
159.08041	18.2
159.11679	42.7
159.38834	1.1
160.08792	1.0
161.09628	1.3
167.08560	13.0
168.09332	4.4
169.10109	19.4
171.08174	1.2
171.11676	12.3
172.08875	1.4
172.12457	4.2
173.09613	20.4
173.13219	12.9
178.50911	1.0
179.08206	1.9
182.10896	23.2
185.09689	1.8
185.13245	1.7
186.10356	2.4
186.14009	3.3
187.11263	4.8
187.14793	46.9
188.15086	1.1
197.13234	33.9
200.11897	2.5
214.25340	3.1
215.14290	100.0
215.17719	2.4
215.25597	2.8
216.14598	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1429
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
55.05496	3.8
57.03424	2.8
57.07067	5.7
60.22733	1.2
67.05495	4.8
69.03413	3.5
69.07050	3.6
70.96680	2.1
71.04984	4.0
74.09704	6.1
75.35076	1.4
77.03896	1.4
79.05502	6.6
81.07043	11.5
91.05460	12.7
93.07050	7.8
95.04945	6.0
95.08590	6.5
104.36958	1.3
105.07018	22.5
107.08603	9.7
109.06466	2.9
115.05390	3.4
116.05350	2.2
116.06280	1.7
117.07011	15.4
119.08565	15.4
121.06493	2.9
122.89529	1.1
125.07140	2.1
128.06224	5.2
129.06982	16.7
130.07745	4.5
131.08554	34.5
132.09319	3.0
132.95761	2.8
133.07570	1.2
133.10097	6.1
135.08037	2.8
137.07053	6.7
141.06979	5.5
142.07768	32.3
143.08556	30.8
144.09380	6.9
145.06432	3.1
145.10112	63.1
147.07985	1.9
150.96870	4.9
153.07014	3.8
154.07765	3.9
155.08537	22.2
156.09322	12.2
157.10114	76.3
158.07227	2.7
158.10905	25.0
159.08025	15.3
159.11678	46.7
160.08800	2.0
167.08548	14.5
168.09261	4.0
169.10121	20.2
171.11670	9.6
172.08614	1.8
172.12430	5.8
173.09599	19.6
173.13245	9.4
179.08171	3.1
182.10916	26.9
183.11403	1.6
185.09615	2.0
185.13252	1.9
186.10338	2.0
186.14038	3.9
187.11168	2.9
187.14798	52.3
197.13235	33.4
198.13464	1.4
200.11891	1.6
214.25273	12.7
215.10493	4.6
215.14291	100.0
215.25629	4.5
216.14525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1429
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03945	0.7
55.05507	2.7
57.03423	1.3
57.07060	1.7
57.09552	0.5
64.08791	0.4
65.03932	0.8
66.08015	0.5
67.05494	4.8
69.03419	2.0
69.07060	1.9
71.04990	1.8
71.08620	1.0
72.58530	0.5
74.09715	2.6
79.05479	6.4
81.07047	13.2
83.04990	0.7
88.02213	0.8
91.05469	13.2
93.06447	0.7
93.07038	11.3
95.04956	4.5
95.08598	7.2
97.06518	1.4
98.22716	1.4
99.77370	0.5
103.05430	1.2
105.07020	24.6
105.92008	0.5
107.04877	1.1
107.08585	9.0
108.06802	0.6
109.06490	3.2
115.05402	2.7
116.05312	0.6
116.06226	1.3
117.07014	13.9
119.04934	0.6
119.08562	12.6
121.06484	4.1
121.10119	1.3
123.08031	1.6
125.07030	0.7
128.06218	3.8
129.06993	13.2
130.07787	4.9
131.08553	31.1
131.97479	0.6
132.09296	0.9
132.95845	0.8
133.06509	0.8
133.07556	1.2
133.10112	4.0
135.07968	3.0
137.07063	2.2
140.91545	0.5
141.06949	6.0
142.07761	12.6
143.08551	19.9
144.09320	4.5
145.06448	3.0
145.10112	54.1
146.10478	1.0
147.08006	2.4
150.96869	1.6
153.06953	2.3
154.07785	1.6
155.06055	0.6
155.06471	0.5
155.08536	26.4
156.09343	5.4
157.10110	31.7
158.07266	1.5
158.10893	5.4
159.08047	10.1
159.11674	29.7
160.08844	0.8
161.09637	1.1
161.38470	0.5
167.08534	7.3
168.09273	2.8
169.10109	12.7
171.07967	0.8
171.11673	13.0
172.08774	1.1
172.12399	2.8
173.09607	13.2
173.13234	6.8
174.10222	0.7
175.92078	0.5
179.08171	1.0
181.10132	0.9
182.10899	10.2
185.09702	0.6
185.13200	3.2
186.10477	0.6
186.14012	7.6
187.11302	2.9
187.14799	33.7
189.14323	0.5
197.09317	1.2
197.13239	23.3
200.11945	1.5
214.25255	1.8
215.14287	100.0
215.25568	0.6
216.14574	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1431
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03934	1.5
55.05496	5.2
57.03422	2.0
57.07058	2.5
61.27614	1.1
61.86143	1.1
67.05489	5.3
69.03410	2.6
69.07056	3.8
71.04984	3.0
74.09711	3.6
79.05487	7.0
81.07054	12.9
83.05019	1.5
84.96321	1.2
85.06538	2.1
91.05476	17.8
93.07037	11.0
95.04955	3.9
95.08613	10.5
98.22715	3.5
103.05464	1.9
105.04499	1.4
105.07027	26.8
105.21748	1.2
107.08583	8.2
109.06503	2.7
109.10177	2.1
109.64276	1.1
115.05416	6.0
116.05334	1.4
116.06218	3.1
117.07016	18.2
119.08568	14.3
121.06499	2.9
125.07118	1.8
128.06187	7.3
129.06992	19.3
130.07813	9.2
131.08562	45.5
132.09395	2.9
132.95810	3.2
133.10129	5.1
135.08044	1.8
137.07079	4.6
138.71367	1.2
141.06982	9.4
142.07773	39.5
143.08560	38.9
144.09332	9.4
145.06476	3.7
145.10114	73.9
146.10477	1.6
150.96906	3.4
153.06964	4.1
154.07780	4.0
155.08531	19.0
156.09337	14.2
157.10123	100.0
158.07227	2.5
158.10905	39.6
159.08070	16.5
159.11685	60.9
167.08562	16.9
168.09328	3.4
169.10103	21.9
171.08075	1.5
171.11665	12.4
172.12509	5.4
173.09608	20.8
173.13251	11.2
179.08173	1.8
182.10909	32.8
185.09573	2.2
185.13383	1.8
186.14081	6.6
187.11143	4.6
187.14812	70.4
188.15089	1.5
191.97165	1.2
197.09296	1.9
197.13251	41.8
200.11938	2.8
214.21631	1.1
215.10451	3.4
215.14304	92.5
216.14713	1.7
238.72353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1594
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01875	0.6
55.05508	2.6
56.85400	0.4
57.07074	1.2
59.04992	0.5
61.02918	0.5
67.05478	0.3
72.04520	0.4
73.02905	1.0
75.29996	0.3
82.75831	0.3
83.04974	3.7
83.08601	0.3
85.06543	0.3
86.06068	0.9
86.09699	100.0
87.04446	0.7
87.10029	0.8
89.06023	1.4
98.22647	1.1
98.98425	0.4
101.05999	1.7
104.78577	0.3
111.04434	5.0
113.05996	0.8
116.10738	1.0
127.07551	0.6
128.10707	48.4
129.05469	1.3
129.11015	0.7
147.40875	0.3
155.07021	6.4
161.05978	0.5
170.11748	47.3
171.12119	0.5
171.85864	0.3
173.08051	4.1
174.14902	5.9
175.15077	0.3
199.09642	0.5
216.15921	1.2
217.10657	3.0
217.12425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03936	1.4
55.01863	2.3
55.05505	46.4
57.07059	4.2
59.04992	5.9
62.99034	1.6
63.85436	1.3
67.05497	11.2
69.03415	3.2
69.07060	9.1
70.05103	1.1
70.05434	3.3
71.08630	1.7
73.02909	2.3
73.06539	1.2
77.00607	3.7
79.05479	7.3
81.07053	7.1
83.04975	60.4
83.08602	5.2
84.05324	1.3
85.06533	6.6
87.04454	5.9
89.02393	5.9
89.06028	10.8
90.75390	1.2
91.02149	2.8
91.05472	16.3
93.07029	6.4
94.95893	1.0
95.04964	2.3
95.08588	9.2
97.06509	1.5
97.10133	1.8
98.97583	1.2
99.04447	3.1
101.05350	1.4
101.06013	21.0
105.06353	1.6
105.07021	26.4
107.08588	7.5
109.06509	1.4
109.10142	3.5
111.04434	71.0
111.08051	1.4
112.04751	1.1
113.06011	10.9
115.05438	1.4
117.07017	14.7
119.08570	17.1
121.06476	2.2
121.10102	4.2
123.08046	1.3
127.07547	11.3
128.06204	7.1
129.05472	22.0
129.06969	13.3
130.07776	1.7
131.08546	19.1
133.06448	1.3
133.10106	18.3
135.08098	1.3
137.05925	3.1
137.09621	1.2
141.06969	3.5
142.07768	15.2
143.08545	20.8
144.09302	3.3
145.10118	27.8
147.06578	1.2
147.08018	5.9
147.11653	6.3
149.09541	1.7
155.07019	100.0
155.08305	3.9
156.07396	2.2
156.09325	3.0
157.10120	36.5
158.10730	1.4
159.11673	30.5
161.05943	3.4
161.09598	9.8
161.13208	2.6
163.07487	1.8
169.10088	3.3
170.10907	1.5
171.11691	8.1
173.08080	54.0
173.13190	3.5
175.07532	7.7
175.11118	5.1
175.14828	3.2
175.24844	1.2
179.98070	1.4
184.12436	2.9
187.14813	1.5
189.12714	1.6
189.16357	8.5
199.09619	6.6
199.14787	20.1
217.10634	49.2
217.12238	3.6
217.15877	47.9
217.19153	2.1
218.16365	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
51.81445	0.7
53.03953	1.0
55.05509	6.3
57.07060	0.8
67.05503	5.1
69.03425	0.9
69.07076	3.6
70.34046	1.8
71.04992	1.2
77.03930	0.6
79.05486	5.1
81.07053	12.3
83.04983	5.1
83.08627	1.7
85.06502	0.9
89.06020	0.8
91.05472	10.5
93.07034	10.5
95.04963	3.8
95.08605	16.3
97.06523	2.4
101.06017	2.1
105.07023	31.4
107.08585	8.2
109.06538	5.1
109.10146	6.3
111.04442	6.3
111.08109	0.9
112.26694	0.6
113.06011	1.0
115.05488	1.7
117.07011	12.4
119.08572	26.9
121.06497	1.4
121.10135	7.0
123.08047	4.8
127.07504	0.9
128.06201	2.9
129.05528	1.3
129.06999	7.3
130.07771	2.7
131.08562	26.5
133.10121	14.7
135.08006	1.0
135.99953	0.6
137.09639	1.2
142.07765	9.1
143.08560	14.0
144.09329	10.5
145.10115	14.2
147.08023	2.0
147.11674	9.8
149.09663	0.6
155.07031	10.9
155.08342	1.1
156.09343	3.3
157.10114	33.6
158.10860	2.2
159.11684	100.0
160.12300	2.0
161.09599	8.0
161.13232	6.6
162.10211	0.6
169.10121	0.7
170.10928	1.1
171.11679	8.9
173.08057	5.2
173.13246	16.7
175.11176	2.7
175.14801	2.4
182.11011	0.8
184.12465	1.9
189.12767	1.9
189.16368	14.4
199.13327	0.5
199.14803	27.8
217.10738	5.2
217.15868	63.7
218.16229	1.3
225.12328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
55.05258	2.1
55.05508	33.5
59.04997	1.6
67.05508	12.6
69.03413	5.0
69.07056	6.3
69.29648	2.1
69.30045	4.2
71.04980	1.9
79.05477	6.6
81.07043	11.4
83.04973	45.6
83.08617	3.5
85.06538	2.8
87.04472	7.3
89.02375	4.1
89.06010	6.5
91.05478	8.4
93.07032	12.9
95.04976	3.9
95.08592	16.8
97.06519	2.5
99.04438	3.9
101.06007	17.7
105.07021	30.3
107.08589	12.5
109.06489	3.4
109.10139	10.2
111.04436	56.3
111.08076	3.4
113.05990	5.0
117.07014	5.5
119.08563	28.8
121.06496	2.6
121.10146	7.3
123.08029	5.2
127.07532	8.5
128.06221	1.9
129.05469	19.7
129.07005	4.6
131.08577	15.6
133.06427	1.7
133.10107	16.0
135.08061	6.2
137.05965	2.2
142.07756	6.2
143.08557	13.6
144.09288	2.1
145.10117	15.8
147.08047	3.7
147.11664	13.6
149.09566	1.8
155.07021	71.4
155.08324	3.5
156.07333	1.6
156.09312	2.5
157.10117	26.2
158.10803	2.4
159.11676	42.1
159.12952	3.0
161.09602	8.6
161.13287	8.1
171.11659	4.8
173.08089	45.6
173.09586	2.6
173.13214	8.8
175.11121	5.1
175.14815	3.4
184.12509	3.2
187.14812	1.9
189.12640	1.5
189.16403	10.4
199.09613	3.8
199.14796	25.5
217.10683	37.7
217.15860	100.0
218.16078	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
51.02379	0.7
55.05503	5.5
56.15298	0.6
67.05497	8.2
69.03423	1.3
69.07062	4.6
69.30672	2.2
69.31078	1.3
71.04966	1.8
72.32944	0.7
72.57138	0.8
79.05481	7.2
79.51171	0.8
81.07044	14.9
83.04973	1.1
83.08634	1.3
91.05469	11.3
93.07037	12.9
95.04961	4.8
95.08597	16.8
97.06507	2.7
105.07019	36.3
106.07320	0.8
107.08578	9.8
109.06499	5.8
109.10144	6.7
111.04412	2.6
111.08024	0.7
115.05418	1.7
117.07006	14.0
119.08566	27.6
121.06495	3.6
121.10131	7.7
123.08049	3.6
128.06186	4.3
129.06999	8.1
130.07771	3.0
131.08551	26.4
133.06468	1.3
133.10114	15.8
135.08052	1.2
141.06998	1.3
142.07765	10.5
143.08542	17.4
143.09627	1.1
144.09312	10.3
145.10120	13.8
147.08044	2.6
147.11668	9.8
155.07037	2.3
156.09337	2.6
157.10109	34.8
158.10838	1.5
159.11674	100.0
160.12131	2.7
161.09602	8.4
161.13219	8.0
169.10150	1.3
170.10954	1.2
171.11674	8.2
173.08113	1.4
173.13239	14.8
175.11168	4.1
175.14815	2.4
184.12486	2.1
187.14786	0.9
189.12695	1.1
189.16351	13.0
199.14790	28.1
217.15848	63.7
218.16284	1.5
231.15704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03939	0.8
55.01865	0.9
55.05510	7.1
55.98364	0.8
57.03413	0.9
57.07056	0.7
67.05505	5.0
69.03399	3.2
69.07047	3.6
69.14207	5.3
71.04993	3.8
79.05481	5.2
81.06622	1.3
81.07047	15.4
83.04967	6.6
83.08597	1.8
85.06540	1.8
86.33639	0.8
87.04488	0.8
91.05463	8.6
93.07043	14.0
95.04939	3.0
95.08024	1.4
95.08601	20.6
96.08909	0.9
97.06508	2.6
101.05998	2.0
105.04436	0.9
105.07021	30.6
107.08578	19.3
109.06503	6.3
109.10133	7.3
111.04439	6.9
111.08044	1.8
115.05412	1.3
117.06999	6.1
119.08575	37.2
121.06455	3.9
121.10131	9.1
123.08051	6.4
127.07511	0.8
128.06213	2.4
129.06979	4.3
130.07773	1.5
131.07552	1.0
131.08554	17.3
132.09026	0.9
133.10120	16.2
134.02782	0.9
135.08070	3.7
135.11685	1.1
137.09607	1.9
141.07030	1.0
142.07774	7.7
143.08545	15.3
144.09344	5.6
145.10114	18.4
147.08012	1.9
147.11670	15.4
155.07028	7.4
155.08257	1.3
156.09346	3.0
157.10114	29.5
158.10820	1.3
159.11681	47.0
160.12085	1.6
161.09599	5.5
161.13242	8.2
169.10147	1.7
171.11682	7.3
173.08180	4.5
173.13235	10.3
175.11177	5.1
175.14792	5.2
184.12468	2.0
189.12752	2.6
189.16393	12.8
199.14806	32.9
200.15181	1.7
201.25293	0.9
217.10695	4.8
217.15855	100.0
218.16162	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	217.1585
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
54.27867	1.0
55.01883	1.0
55.05499	11.8
55.55694	1.1
58.12204	1.0
59.96299	1.0
61.02921	1.2
62.21275	1.0
67.05495	9.5
69.03409	2.3
69.07053	4.8
69.51872	3.9
69.52233	1.9
71.04984	2.3
79.05498	8.1
81.07054	14.7
83.04965	13.7
83.08589	2.6
87.04428	1.3
88.24287	1.1
89.06022	2.5
91.05460	13.4
93.07024	14.0
95.04944	7.1
95.08599	21.0
97.06514	2.2
101.05979	5.6
103.05463	1.3
105.07014	34.9
107.08578	10.5
109.06501	6.1
109.10143	6.3
111.04422	17.1
111.08058	1.2
113.06046	2.3
115.05439	1.9
117.07009	13.4
119.08566	31.9
121.06474	5.1
121.10132	8.4
123.08065	5.4
127.07539	3.1
128.06171	3.0
129.05441	3.6
129.06981	8.2
130.07767	3.7
131.08540	25.0
133.10112	17.9
137.09650	1.2
141.06982	1.0
142.07767	9.8
143.08524	16.1
144.09349	8.7
145.10095	16.2
147.07988	3.9
147.11667	12.1
149.75455	1.2
155.07021	22.1
155.08374	2.0
156.09311	2.9
157.10106	35.3
158.10802	3.3
159.11670	100.0
160.12051	2.9
161.09612	8.6
161.13220	10.5
165.20259	1.1
170.10931	1.6
171.11661	8.5
173.08057	13.1
173.13232	18.1
175.11217	3.1
175.14754	2.1
183.04301	1.2
184.12505	2.9
189.12769	1.4
189.16368	13.6
199.14784	28.0
202.64032	1.0
217.10655	12.6
217.15843	63.7
218.16168	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03927	4.3
55.01849	6.1
55.05504	52.5
55.48220	1.5
57.03426	3.3
59.04974	3.1
65.03938	2.0
67.05495	14.5
69.03413	6.0
69.07052	5.8
70.89323	1.8
71.04992	1.9
73.02888	3.7
77.03938	1.8
79.05494	16.3
81.07049	28.7
83.04971	73.6
83.08594	4.9
85.06528	5.6
87.04443	7.4
89.02378	6.4
89.06027	8.1
91.05481	21.8
93.06522	2.4
93.07040	27.7
95.04948	5.9
95.08596	29.4
97.06528	2.4
97.25813	1.4
99.04424	6.0
101.06010	22.3
103.05441	1.5
105.07016	47.1
105.07722	2.3
107.04976	2.3
107.08593	19.1
109.06516	8.6
109.10129	6.6
111.04431	94.5
111.08015	2.8
113.05995	9.7
115.05431	3.7
117.07018	12.7
119.08568	26.1
121.06482	11.4
121.10102	6.8
123.08051	7.0
127.07536	14.3
128.06213	27.6
129.05524	15.8
129.06989	55.3
130.07837	2.8
131.04858	5.5
131.08551	36.7
132.09241	1.5
133.10118	18.3
135.07993	3.0
137.06006	2.9
141.06969	2.7
142.07762	19.2
143.08549	43.1
144.09283	5.2
145.06444	5.0
145.10103	25.7
146.07161	2.4
147.08026	6.2
147.11635	12.7
149.70450	1.4
155.06055	5.0
155.07018	100.0
155.08313	4.4
156.05630	3.2
156.09303	5.2
157.06479	38.0
157.10107	58.7
158.07256	1.8
158.10977	1.9
159.08006	1.6
159.11674	40.9
161.05930	2.2
161.09618	12.0
161.13229	5.7
169.10075	5.0
170.10873	2.7
171.09180	2.0
171.11659	15.4
173.08080	63.0
173.09560	3.3
173.13210	10.4
174.06761	16.0
175.11269	8.0
175.12498	1.6
175.14713	4.9
184.12413	4.3
185.05902	3.9
187.07567	2.5
187.14816	3.8
189.09065	35.7
189.12682	3.1
189.16383	16.2
199.07724	1.5
199.09625	4.2
199.11188	4.2
199.14787	64.1
217.08565	17.8
217.10663	52.5
217.12282	5.4
217.15843	86.7
218.16086	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03942	2.6
55.05260	2.8
55.05510	41.4
57.03418	4.3
59.05003	4.2
65.03883	2.0
67.05504	20.8
69.03403	3.5
69.07055	8.4
69.17210	8.4
69.17634	4.3
73.02892	2.3
74.39388	2.0
79.05489	21.7
81.07046	34.9
83.04973	47.6
83.08606	2.1
85.06536	4.6
87.04444	3.7
89.02397	4.8
89.06028	6.8
91.05473	34.1
93.07040	34.3
95.04957	6.4
95.08604	40.5
97.06508	2.5
99.04463	5.2
101.06019	12.2
103.05506	2.1
105.06354	4.0
105.07022	67.9
107.08577	26.8
109.06487	4.3
109.10134	8.2
111.04434	65.7
111.08020	3.7
113.05978	6.3
115.05447	6.5
117.07038	12.3
119.08561	31.3
121.06470	6.3
121.10118	7.9
123.08045	7.7
127.07529	5.7
128.06204	18.0
129.05533	11.2
129.07001	23.9
130.07739	3.7
131.07643	3.9
131.08553	43.5
133.10121	27.3
135.11678	2.3
137.09654	3.7
141.06952	4.3
142.07784	32.5
143.08556	63.3
144.09285	6.4
145.10107	44.4
147.08038	4.9
147.11679	14.1
149.09572	3.0
155.07033	81.2
155.08345	5.9
156.09329	7.1
157.10114	91.7
158.10834	3.6
159.08107	2.6
159.11681	34.6
161.09619	8.6
161.13252	5.1
169.10089	7.2
170.10855	3.6
171.11668	15.2
173.08084	40.1
173.13239	8.9
175.11136	8.6
175.14760	6.2
184.12486	5.1
186.14087	2.4
187.14787	4.0
189.12772	2.9
189.16388	18.7
199.09622	4.6
199.14799	89.8
210.46687	2.0
217.08752	3.4
217.10674	33.8
217.15858	100.0
218.16142	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	217.1586
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
51.04408	1.1
51.78386	1.0
55.05285	1.3
55.05507	12.1
57.03432	1.5
57.07065	1.6
57.64070	1.1
59.04995	3.0
67.05495	8.3
69.03413	4.9
69.07056	6.7
77.03939	1.1
79.05475	5.7
81.07040	10.4
83.04967	14.9
83.08615	2.1
85.06523	2.5
87.04411	1.1
89.02393	1.8
89.06013	2.8
91.05475	14.8
93.07037	13.7
95.04953	5.6
95.08597	15.5
97.06519	3.5
101.06029	5.3
105.07016	33.2
107.08575	36.7
109.06507	38.8
109.10126	5.9
111.04435	19.4
111.08072	6.4
113.05994	3.1
113.85149	1.1
115.05443	1.3
117.07001	5.6
119.06094	1.8
119.08571	33.3
121.06474	5.4
121.10130	9.6
123.08070	9.9
127.07560	2.8
128.06204	8.0
129.05443	3.4
129.07004	13.4
131.08549	17.5
133.06502	2.8
133.10117	25.1
135.08034	4.9
135.11583	1.3
136.52228	1.2
137.09602	1.2
142.07756	10.2
143.08556	23.0
144.09326	2.5
145.06468	2.1
145.10106	16.6
146.07243	2.7
147.08029	16.1
147.11656	10.6
148.08804	7.2
149.09592	6.0
155.05835	2.2
155.07027	27.1
155.08322	2.4
156.05745	5.6
156.09340	3.4
157.10103	26.9
158.10910	2.4
159.08049	6.7
159.11674	29.1
160.08810	2.1
160.12181	1.3
161.09599	36.4
161.13231	4.5
162.10329	1.3
169.10117	1.6
170.10905	2.3
170.20932	1.2
171.08025	1.3
171.11700	6.2
173.08130	14.2
173.09529	1.9
173.13223	12.0
174.06708	2.2
174.10406	4.8
175.11188	20.5
175.14775	7.0
184.12407	1.4
189.09085	2.4
189.12746	4.0
189.16376	11.9
199.09554	1.7
199.14789	24.9
200.15236	1.1
217.08607	7.7
217.10706	15.4
217.15858	100.0
218.16197	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	217.1586
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03943	0.8
55.05501	9.1
57.07066	0.9
59.04992	0.9
63.03228	0.9
65.03933	1.0
67.05498	6.4
69.07073	3.0
70.54260	1.6
71.04980	2.4
77.64076	1.0
79.05491	5.1
81.06678	0.9
81.07066	8.4
83.04976	9.4
83.08630	1.1
85.06535	32.9
89.02390	1.0
89.06012	1.9
89.14684	0.9
91.05476	13.1
93.07037	7.7
95.04955	3.2
95.08597	8.1
101.06005	3.8
105.07026	28.7
106.93923	1.0
107.08591	8.0
109.06521	2.6
109.10147	2.2
111.04441	15.1
113.05999	1.6
115.05425	2.2
116.06245	1.9
117.07011	14.9
119.08559	16.1
121.06498	2.5
121.10177	2.1
123.08005	2.4
127.07555	1.7
128.06221	11.8
129.05498	2.0
129.06999	15.2
130.07764	4.2
131.08559	35.9
133.10121	8.2
135.08058	1.3
137.09628	1.0
141.07031	1.7
142.07761	10.6
143.08556	23.3
144.05692	0.9
144.09328	12.8
145.06409	1.0
145.10130	10.3
147.08046	2.1
147.11673	7.4
155.05861	1.2
155.07034	16.2
155.08481	2.6
156.05692	16.3
156.09306	2.8
157.06528	1.8
157.10120	30.5
158.10750	0.9
159.11681	100.0
160.12030	1.7
161.09633	7.3
161.13202	1.6
167.13303	0.9
169.10167	2.2
170.10916	1.9
171.11638	8.0
173.05966	1.9
173.08115	7.7
173.13268	5.7
174.06755	0.9
175.11183	2.1
175.14838	2.6
184.12427	2.5
189.12796	1.6
189.16345	4.6
197.31717	0.9
199.14803	25.8
200.15018	1.6
202.06236	2.9
217.08589	18.7
217.10698	8.7
217.15857	47.8
229.88606	0.8
232.02637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03928	1.2
54.31658	0.9
55.01862	2.2
55.05508	48.6
57.07053	1.8
59.04993	2.6
59.13467	0.9
65.03926	1.7
67.05501	10.8
69.03406	3.4
69.07064	7.2
71.04966	1.1
73.02917	2.0
78.07408	1.1
79.05493	9.2
81.07041	14.4
83.04977	58.6
83.08622	5.9
85.06528	4.3
87.04463	6.1
89.02396	6.6
89.06036	8.7
91.05482	16.8
93.03388	3.0
93.07042	17.5
95.04955	4.9
95.08598	15.0
97.06515	1.9
98.22674	2.2
99.04432	4.7
101.06014	21.2
105.04488	1.5
105.06352	1.9
105.07026	31.2
107.04945	2.3
107.08587	16.3
109.06509	5.2
109.07573	1.1
109.10175	7.7
111.04436	77.0
111.08046	3.6
113.06014	9.9
115.05479	1.4
117.07015	5.9
119.08573	29.9
121.06487	8.6
121.10123	7.3
123.08092	5.2
123.11697	1.8
127.07563	10.1
128.06198	4.8
129.05481	17.9
129.06993	8.1
130.07803	1.6
131.08554	15.0
133.06476	3.4
133.10120	19.8
134.42023	1.0
135.08047	2.3
135.11659	3.0
137.05951	4.0
137.09595	1.3
141.06906	1.5
142.07765	6.3
143.08560	14.7
144.09302	4.9
145.06429	1.0
145.10107	13.3
147.08054	5.3
147.11681	11.7
149.09608	2.6
155.07019	100.0
156.05725	1.6
156.07361	2.5
156.09340	3.6
157.10127	19.5
158.10847	1.1
159.11685	33.7
161.05957	3.8
161.09607	10.0
161.13272	5.4
169.10138	2.4
170.10872	1.5
171.11673	8.5
173.08087	59.3
173.13222	9.6
174.10414	1.6
175.07539	2.3
175.11180	5.4
175.14822	4.9
184.12543	1.6
187.14841	1.4
189.12711	2.3
189.16391	9.8
199.09616	6.3
199.11061	2.7
199.14815	25.3
217.08821	2.0
217.10614	50.2
217.12262	5.7
217.15848	51.4
217.19199	2.1
218.10982	1.8
218.21144	3.0
218.86017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
50.31137	1.8
55.01870	2.8
55.05508	43.9
59.05000	5.8
63.31169	1.9
63.61722	2.0
67.05501	11.8
69.03421	5.9
69.07076	6.3
70.53529	4.6
79.05499	7.8
81.07040	11.4
83.04974	59.2
83.08608	8.1
85.06556	6.6
87.04460	6.8
89.02396	4.5
89.06026	9.1
91.05482	14.5
93.07028	17.0
95.04960	4.3
95.08610	13.3
97.06522	3.7
99.04446	4.1
101.06004	24.4
105.07012	34.5
107.04933	2.8
107.08587	9.5
108.81167	2.0
109.06517	6.7
109.10118	4.5
111.03660	4.0
111.04432	75.7
111.08083	2.8
111.23747	1.7
113.05993	12.5
115.05528	1.9
117.07012	6.5
118.75770	1.8
119.06136	2.0
119.08568	33.9
121.06463	4.7
121.10137	14.4
123.08035	4.2
124.05475	1.9
127.07510	9.5
128.06190	3.7
129.05473	18.1
129.07013	6.6
131.08569	26.6
133.06467	15.2
133.10109	19.7
135.08058	3.5
137.06073	2.9
142.07817	5.5
143.08504	9.5
144.09334	2.3
145.10114	16.1
146.07272	2.2
147.08051	5.5
147.11671	9.9
149.09648	2.3
155.07019	100.0
156.09261	3.2
157.10143	13.4
159.08122	2.3
159.11682	22.8
161.09641	8.0
161.13257	2.2
171.11714	6.2
173.08084	54.6
173.09587	3.0
173.13225	30.5
175.11166	21.1
175.14792	15.8
184.12399	2.7
187.41661	2.1
189.16382	8.9
199.09700	3.9
199.14748	10.0
202.09911	2.7
217.10629	43.4
217.15843	40.4
217.19315	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28172	34.6
70.63259	55.4
98.97586	100.0
177.72142	39.1
197.24181	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06722	1.1
51.81174	1.1
55.01863	4.2
55.05501	5.1
55.28328	1.2
56.96570	6.9
61.02925	17.0
67.05516	2.3
69.07047	2.6
70.60095	2.3
71.01347	20.8
75.04477	39.6
79.05486	2.5
81.07039	4.0
83.04955	3.9
84.08131	17.2
87.04465	14.2
89.02377	5.4
90.05551	4.3
91.05476	2.4
93.07019	3.0
95.08591	1.9
98.97578	3.6
101.06020	1.5
103.03934	43.9
105.07005	1.7
107.08566	2.4
111.04402	2.6
111.08140	1.4
113.04923	1.1
116.98623	1.9
119.08559	5.4
121.10113	7.7
128.10721	7.8
131.03389	7.4
133.10144	7.2
135.11667	1.4
145.10065	1.9
147.11592	2.2
154.29601	1.4
154.93129	2.5
154.94240	1.7
155.07030	1.9
157.07556	3.9
159.02875	62.0
161.09612	2.1
161.13202	3.1
172.94232	4.0
175.08560	4.0
175.14830	1.8
187.02336	4.6
187.11197	2.3
188.11940	1.2
190.95200	7.3
192.99634	1.5
202.10866	1.6
203.14304	32.5
205.15909	3.1
208.96504	1.7
213.96956	1.5
219.04921	4.1
219.07855	1.3
219.11313	3.8
219.17421	100.0
220.17738	2.9
236.98712	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	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05524	0.8
57.03428	1.3
57.10262	0.8
67.05473	1.7
69.03398	0.8
69.07085	0.6
69.82991	2.5
71.04980	0.9
79.05486	1.0
81.07044	2.3
91.05466	12.3
93.07050	1.2
95.04958	0.9
95.08599	1.0
98.22808	1.0
103.05442	3.0
105.07034	4.2
107.08583	1.5
109.06471	0.8
110.37478	0.6
115.05436	11.9
116.06252	4.2
117.07031	3.9
119.04906	0.8
119.08591	3.5
121.10132	1.1
128.06195	10.6
128.50636	0.7
129.06995	43.6
129.36169	0.7
130.07816	3.7
131.04926	8.4
131.08559	39.4
132.05678	0.9
133.06465	1.1
133.10112	3.7
135.08029	1.5
135.11620	1.0
137.05966	4.7
141.06976	38.3
142.07362	0.8
143.04921	2.4
143.08545	2.7
144.05692	6.8
145.06483	9.7
145.10138	3.4
146.07254	5.1
146.08278	1.0
147.04395	1.0
147.08052	1.0
148.05153	1.3
149.09598	1.2
153.06920	1.4
155.06070	1.6
157.06477	23.1
158.07266	24.1
158.10847	0.8
159.04419	3.9
159.08043	27.6
159.11687	2.1
160.05173	5.7
160.08640	0.9
161.05914	1.3
161.09560	3.7
163.07535	3.5
168.05714	0.9
169.06451	15.9
169.07664	1.7
170.07239	7.5
171.04419	1.5
171.07959	1.3
173.05946	5.3
173.09607	2.6
173.13321	1.0
174.06752	82.3
175.07526	12.8
185.05927	1.1
186.06741	19.3
187.07465	2.4
188.08261	4.1
189.09091	100.0
190.09512	1.6
191.06929	1.9
191.10643	6.7
201.09088	41.3
201.16371	2.0
202.09416	0.8
203.14328	1.0
215.34801	0.8
219.10141	89.5
219.13628	2.1
219.17387	4.8
220.10457	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.8
57.03428	1.3
57.10262	0.8
67.05473	1.7
69.03398	0.8
69.07085	0.6
69.82991	2.5
71.04980	0.9
79.05486	1.0
81.07044	2.3
91.05466	12.3
93.07050	1.2
95.04958	0.9
95.08599	1.0
98.22808	1.0
103.05442	3.0
105.07034	4.2
107.08583	1.5
109.06471	0.8
110.37478	0.6
115.05436	11.9
116.06252	4.2
117.07031	3.9
119.04906	0.8
119.08591	3.5
121.10132	1.1
128.06195	10.6
128.50636	0.7
129.06995	43.6
129.36169	0.7
130.07816	3.7
131.04926	8.4
131.08559	39.4
132.05678	0.9
133.06465	1.1
133.10112	3.7
135.08029	1.5
135.11620	1.0
137.05966	4.7
141.06976	38.3
142.07362	0.8
143.04921	2.4
143.08545	2.7
144.05692	6.8
145.06483	9.7
145.10138	3.4
146.07254	5.1
146.08278	1.0
147.04395	1.0
147.08052	1.0
148.05153	1.3
149.09598	1.2
153.06920	1.4
155.06070	1.6
157.06477	23.1
158.07266	24.1
158.10847	0.8
159.04419	3.9
159.08043	27.6
159.11687	2.1
160.05173	5.7
160.08640	0.9
161.05914	1.3
161.09560	3.7
163.07535	3.5
168.05714	0.9
169.06451	15.9
169.07664	1.7
170.07239	7.5
171.04419	1.5
171.07959	1.3
173.05946	5.3
173.09607	2.6
173.13321	1.0
174.06752	82.3
175.07526	12.8
185.05927	1.1
186.06741	19.3
187.07465	2.4
188.08261	4.1
189.09091	100.0
190.09512	1.6
191.06929	1.9
191.10643	6.7
201.09088	41.3
201.16371	2.0
202.09416	0.8
203.14328	1.0
215.34801	0.8
219.10141	89.5
219.13628	2.1
219.17387	4.8
220.10457	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1378
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
55.05503	3.4
56.96557	1.2
57.03440	1.1
65.03920	0.9
67.05495	4.6
69.03423	1.2
69.07056	2.0
70.64898	1.1
71.04985	1.3
79.05486	6.4
81.07051	9.8
83.04987	0.9
91.05470	100.0
92.05785	1.0
93.07030	11.8
95.04957	3.1
95.08023	1.2
95.08602	21.3
97.06481	1.9
105.07020	30.3
107.04933	1.8
107.08591	5.0
109.06509	2.5
115.05459	2.1
116.06223	1.7
117.07020	9.3
118.79313	0.7
119.04904	0.7
119.08566	11.9
121.06483	2.8
121.10146	2.2
123.08089	1.1
125.05993	2.9
128.06195	6.2
129.06996	6.6
130.05759	0.7
130.07767	3.2
131.08551	68.8
133.06459	1.1
133.10114	28.2
135.08070	1.5
135.11618	1.0
137.05933	0.9
141.06984	1.9
142.07753	2.0
143.08539	19.3
144.09300	2.1
145.06419	1.8
145.10110	34.2
147.08038	2.1
147.11661	2.0
149.09583	2.0
149.13304	0.8
153.06984	1.4
155.08530	2.9
157.10146	3.8
158.10880	1.9
159.08022	7.3
159.11649	9.1
161.09602	24.0
161.13252	1.8
163.07468	1.0
163.11127	1.5
163.14809	1.6
166.74231	0.7
168.09305	2.0
171.11569	0.8
172.08778	0.9
172.94237	1.4
173.08315	0.9
173.09586	3.6
173.13243	19.7
175.11058	1.1
177.12700	1.7
183.11673	5.9
189.12698	4.2
190.95247	1.2
191.14278	2.5
201.10930	1.1
201.12727	17.9
203.14375	1.0
219.13776	49.5
219.17345	4.0
220.14139	1.0
220.83296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	Occidol
Peak:m/z	Relative Intensity
55.05512	12.1
56.96552	18.7
57.03436	3.1
57.07077	5.5
67.05504	9.2
68.89742	1.9
69.07072	15.4
69.07382	2.0
69.18993	7.2
69.19396	4.3
71.04984	4.8
79.05487	14.6
81.07043	22.5
83.04977	3.3
83.08585	2.7
85.06533	8.3
91.05458	21.7
91.05929	2.5
93.07040	22.5
94.68294	2.2
95.04950	3.4
95.08607	20.4
97.06505	4.4
101.06018	11.6
105.07015	61.0
107.08601	21.1
109.06523	3.5
109.10147	8.9
111.08073	2.9
117.07015	16.5
119.08577	61.2
119.09425	4.0
121.06545	2.6
121.10143	19.2
123.11695	3.0
126.82267	2.2
129.07030	3.9
130.07675	2.9
131.08557	16.2
133.10109	25.5
135.08005	3.1
135.11700	10.1
144.09341	2.6
145.10114	43.0
147.11649	5.7
149.09633	5.1
149.13223	4.0
154.93190	3.3
157.07695	2.4
157.23787	2.4
159.11690	39.0
161.13245	88.3
163.03891	3.1
163.11148	11.6
172.94231	16.1
173.13251	5.2
175.14853	5.1
190.95239	25.3
195.95714	2.7
201.16351	33.0
203.14236	11.3
213.96887	5.0
219.07852	3.8
219.10155	7.7
219.14015	4.5
219.17429	100.0
220.14633	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	219.1741
Annotation	Occidol
Peak:m/z	Relative Intensity
55.05492	10.1
56.96550	12.8
57.07046	4.0
63.59369	2.5
66.22469	2.8
67.05481	12.7
69.07058	17.5
70.44640	2.3
71.04977	3.1
71.43105	2.6
79.05471	11.3
81.07053	17.9
83.04960	4.0
83.08592	4.0
85.06511	5.8
89.66301	3.2
91.05482	20.2
93.07046	21.5
95.04971	3.1
95.08603	13.4
96.28362	2.6
97.06520	2.9
101.06023	4.3
105.07015	55.7
107.08592	24.1
109.10144	4.9
111.08081	3.6
111.25690	3.2
117.06995	13.0
119.08572	49.3
121.10114	19.5
123.08033	3.2
124.10700	2.5
131.08548	13.8
133.10117	23.3
135.08061	2.8
135.11659	8.9
143.08595	3.6
145.10098	40.6
147.11664	7.5
149.09596	6.1
154.93193	4.8
159.11681	30.3
161.13242	71.6
163.11224	11.7
172.94249	20.4
173.13222	4.2
175.14796	4.6
177.12793	3.8
177.16255	3.3
190.95262	24.2
201.16362	24.8
203.14278	12.9
213.96992	4.7
219.14021	3.7
219.17412	100.0
225.30168	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	219.1742
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03953	2.6
53.17832	2.1
54.18482	1.6
54.72740	1.7
55.05500	14.9
56.96558	18.9
57.03432	2.4
57.07067	6.0
59.04969	2.4
67.05496	16.5
69.03413	2.1
69.06707	2.7
69.07062	35.8
69.21020	9.4
71.04972	3.9
79.05489	14.5
81.07044	31.4
83.04955	2.6
83.08611	10.7
85.06509	3.3
91.05474	25.8
91.16464	1.7
93.07037	42.8
95.04961	4.5
95.08598	40.9
95.09207	2.3
97.06512	13.9
97.10166	2.8
105.07018	53.3
106.83402	2.0
107.08585	28.5
109.06498	3.8
109.10154	15.6
111.08061	4.2
117.07011	15.8
119.08571	34.5
121.06477	5.9
121.10130	31.6
123.08059	8.0
123.11687	4.5
125.09620	7.3
129.06964	2.8
130.07765	7.5
131.08560	28.9
133.10110	32.0
135.08075	7.7
135.11678	23.3
136.92154	3.6
137.09557	3.4
143.08571	4.6
144.09329	3.3
145.08972	2.8
145.10112	50.1
147.11664	19.9
149.09622	5.2
149.13261	6.6
154.93164	7.3
157.10097	4.3
159.11673	50.9
161.09584	3.5
161.13219	20.8
163.11154	13.8
163.14726	2.7
172.94200	20.9
173.13272	6.9
175.14806	14.3
177.12704	4.9
177.16385	3.8
186.14108	2.4
189.16333	7.6
190.95270	21.7
191.17894	14.5
195.95845	2.4
201.16356	47.0
201.18127	3.6
203.14220	5.2
208.15536	1.9
213.96860	6.0
219.17424	100.0
220.17894	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	219.1743
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
50.67853	1.7
55.05501	6.1
56.96548	3.5
57.07066	2.4
60.60385	1.4
61.34360	1.6
67.05479	4.6
69.03427	3.0
69.07063	15.2
71.04976	1.9
79.05483	6.0
81.07053	11.2
83.04965	2.1
83.08611	3.7
85.06522	2.1
91.05486	8.9
93.07041	12.2
95.04984	2.7
95.08604	9.5
97.06506	2.4
97.10165	1.5
103.70931	1.5
105.07024	19.2
107.08592	17.0
109.06506	7.4
109.10140	7.2
111.11694	1.6
117.07016	5.9
119.08566	23.8
121.06476	5.5
121.10120	14.9
123.08027	4.0
123.11687	4.1
125.09660	2.1
129.06944	2.1
130.07770	3.4
131.08559	14.2
133.10112	11.9
135.08040	12.1
135.11665	10.3
137.09599	8.2
144.09320	2.1
145.10118	29.5
147.11667	5.2
147.37529	1.4
149.09612	6.5
151.11148	2.1
157.10153	1.7
159.11716	24.4
161.09578	5.3
161.13251	16.0
163.11177	23.0
172.94228	2.8
173.13231	4.8
175.14822	5.1
177.12747	6.0
177.16367	3.8
190.95256	3.5
191.17973	1.7
201.16393	13.4
203.14319	3.3
219.17424	100.0
220.17751	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	219.1741
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03956	2.4
55.05507	15.3
56.30759	2.0
56.96553	6.9
57.03415	5.1
57.07074	16.7
59.05002	4.1
65.03941	2.5
67.05494	19.0
67.16042	2.1
69.07063	20.9
69.67834	4.9
69.68197	4.8
73.06557	4.3
74.29333	2.3
79.05480	28.5
81.07050	50.6
83.04955	7.8
83.08598	5.5
85.06532	8.7
91.05471	38.9
93.07036	45.9
95.04955	3.1
95.08597	55.0
97.06490	5.4
98.23426	4.2
101.05989	7.2
105.07019	56.3
107.08583	40.5
109.06528	4.1
109.10148	22.2
111.08041	3.3
111.11733	2.5
113.09586	2.1
117.06999	28.5
119.08567	38.3
119.52852	2.5
121.06536	3.4
121.10136	42.0
122.10473	2.8
123.08058	11.5
123.11681	3.5
124.06195	2.2
125.09627	3.3
125.42983	2.2
129.06981	4.9
130.07767	8.3
131.08546	42.1
133.10114	37.6
134.10442	2.6
135.08078	3.7
135.11678	34.6
136.34616	2.1
136.35677	2.2
143.08556	6.0
144.09303	3.6
145.10100	99.2
146.10756	2.2
147.11678	9.8
149.09601	4.8
149.13303	3.9
154.93161	2.8
157.10190	3.0
158.10916	2.9
159.11685	50.8
161.09561	2.4
161.13266	21.5
161.94922	2.4
163.03860	4.0
163.11160	18.5
171.11656	4.2
172.94284	7.5
173.13165	10.5
175.14830	7.1
183.11530	2.3
186.14027	10.1
189.16335	6.9
190.95267	11.5
191.17795	5.1
200.89433	2.5
201.16359	64.7
203.14265	7.9
219.10117	6.3
219.17415	100.0
220.17665	3.7
222.96936	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	Occidol
Peak:m/z	Relative Intensity
52.69864	1.4
53.83576	1.5
55.05512	9.8
56.96562	14.4
57.03429	1.8
57.07064	5.4
58.92873	1.4
64.02612	1.7
65.85370	1.5
67.05492	13.3
69.03410	2.7
69.07063	19.4
71.04977	5.8
73.06554	2.9
75.89124	1.6
79.05483	15.4
81.07047	25.7
83.08600	5.1
85.06529	4.8
91.05467	23.2
93.07028	25.1
95.04938	4.0
95.08595	21.2
97.06519	6.1
99.45810	1.7
101.06003	5.8
105.07021	54.5
107.08583	26.1
109.06521	6.1
109.10124	11.3
111.08035	2.4
117.06992	18.7
119.08568	51.0
121.06483	4.7
121.10127	25.4
123.08030	4.1
123.11684	2.4
129.06949	2.1
130.07794	4.8
131.08554	21.0
133.10115	27.5
135.08064	4.2
135.11676	14.0
137.09625	2.3
143.08537	4.9
144.09296	2.9
145.10101	52.1
147.11659	7.5
149.09564	5.5
149.13263	4.1
154.93204	3.2
157.10144	4.2
159.11685	41.4
161.09624	5.9
161.13240	54.8
163.11142	13.8
172.94200	12.2
173.13245	8.6
175.14777	5.4
177.12729	6.0
177.16364	3.0
186.13994	2.1
190.95270	14.8
191.17909	2.6
195.95938	2.8
198.97792	1.8
201.12703	2.1
201.16345	31.7
203.14267	6.5
213.96904	4.3
219.13937	4.1
219.17415	100.0
220.17728	3.9
223.75296	1.8
236.75282	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	Bisacumol
Peak:m/z	Relative Intensity
55.05507	13.3
57.03430	4.5
57.07074	12.9
59.04980	2.6
67.05511	21.0
69.07056	21.7
69.75762	6.9
71.84675	2.3
73.06534	2.9
73.93917	2.1
79.05491	31.2
81.07040	34.4
83.04974	7.0
83.08592	6.3
84.22897	2.3
91.05479	27.8
91.31192	2.3
93.07037	42.8
95.04942	6.8
95.08601	29.8
101.05992	10.6
105.07020	48.0
107.04977	3.2
107.07924	3.9
107.08581	41.9
109.06507	8.2
109.10143	22.4
111.08053	3.9
116.06172	3.1
117.07010	30.5
118.12914	2.1
119.08565	31.2
120.05668	2.0
120.58500	2.2
120.65056	2.3
121.06486	6.3
121.10136	24.4
123.08069	4.4
123.11703	11.6
129.06992	2.6
130.07762	8.4
131.08559	33.0
133.10101	25.0
135.08008	2.7
135.10645	2.8
135.11678	54.1
135.32817	2.5
137.09572	4.7
143.08575	4.3
144.09329	3.1
145.08969	4.8
145.10115	100.0
147.11673	11.1
149.09613	9.1
149.13246	3.2
157.10130	3.7
157.49625	2.5
159.11685	46.5
161.13257	13.4
163.09891	2.1
163.11165	54.2
173.13289	12.8
175.14778	6.5
177.12799	2.5
191.17934	7.3
201.16367	54.0
219.17426	99.0
220.17754	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03936	1.5
55.05505	9.7
57.03413	1.8
57.07058	1.5
57.38709	1.1
58.71247	1.3
59.04995	1.9
67.05502	7.6
69.07059	7.2
69.35271	3.0
69.35668	4.3
71.04983	13.5
73.06533	2.2
79.05487	12.2
81.07050	36.2
83.04953	5.5
83.08633	2.6
85.06522	1.7
91.04944	1.7
91.05476	25.3
93.07027	21.3
95.04991	2.3
95.08588	13.1
97.06520	5.5
99.08165	1.4
100.89647	1.1
101.06016	7.5
103.05489	1.5
105.07021	73.3
107.08577	19.3
109.06539	1.9
109.09524	1.1
109.10149	7.7
111.08089	1.3
115.05447	5.1
117.06983	7.3
118.07790	1.7
119.08565	17.2
121.06494	2.9
121.10133	12.2
123.08058	3.1
125.09617	23.0
128.06194	2.0
129.07013	8.8
130.07785	2.5
131.04895	1.8
131.08554	21.4
133.10117	100.0
134.10373	2.0
135.08064	2.4
135.11690	4.4
137.09665	1.4
141.06972	5.0
143.08536	2.1
144.09399	1.7
145.06482	1.3
145.10107	18.9
146.07169	1.1
147.11661	12.4
149.13306	2.4
149.45082	1.1
157.06470	3.0
157.10147	1.9
158.07230	3.5
158.10956	2.2
159.08049	5.5
159.11679	15.8
160.07593	4.9
161.13243	11.8
163.11145	2.8
169.03511	1.7
169.06439	2.1
173.13246	5.9
174.06718	11.0
175.07451	1.6
175.14784	2.7
177.16393	1.6
186.06749	2.8
187.07352	1.3
189.09091	12.4
201.09090	6.0
201.16341	16.7
202.08583	2.2
219.10091	13.8
219.13754	3.5
219.17416	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	219.1742
Annotation	Occidol
Peak:m/z	Relative Intensity
50.72989	1.2
51.41194	1.3
55.05503	15.2
56.96567	8.5
57.03425	3.0
57.07056	6.1
59.04996	2.6
60.91784	1.2
61.23732	1.4
64.47161	1.2
67.05206	1.5
67.05498	16.1
69.03409	1.9
69.07059	23.0
69.21681	5.5
69.22086	2.3
71.04971	5.3
71.08649	1.7
73.06541	2.7
79.05094	2.0
79.05485	19.2
81.07051	36.4
83.04964	5.0
83.08600	3.6
85.06541	9.3
91.05470	34.0
93.07033	32.2
95.04945	3.9
95.08595	37.2
97.06512	4.9
98.23444	2.5
99.08031	1.7
101.06008	7.4
103.05470	2.3
105.07018	82.5
107.04966	2.2
107.07842	1.6
107.08578	32.2
109.06512	3.8
109.10138	15.4
111.08063	4.7
115.05453	1.7
117.07008	30.3
119.06021	2.1
119.08563	62.1
121.06474	11.7
121.10125	26.2
123.08028	7.2
123.11651	3.4
125.09591	2.7
129.07022	4.5
130.07739	4.8
131.08548	27.2
133.10107	38.9
135.08064	2.5
135.11682	22.7
137.09552	2.5
143.08548	4.3
144.09315	4.4
145.10107	71.3
146.10623	2.6
147.11662	7.3
149.09610	13.9
149.13194	2.4
154.93152	3.5
157.10095	4.0
159.11673	54.4
161.13242	73.2
163.11160	15.7
171.11693	1.9
172.94231	10.4
173.13229	10.6
173.74998	1.4
175.14841	9.3
177.12773	2.4
177.16385	3.0
186.14037	3.8
189.16393	3.8
190.95303	15.1
191.14261	2.5
191.17935	4.2
201.16367	45.4
203.14285	2.1
213.96858	3.1
219.17409	100.0
220.17693	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	219.1742
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
55.05489	9.0
56.96565	25.1
67.05492	7.4
69.07054	16.6
69.28300	6.3
69.28709	13.5
71.04980	3.5
79.05492	10.9
81.07047	19.2
83.04966	4.2
83.08584	3.2
85.06535	4.4
91.05481	22.2
93.07047	22.7
95.08624	15.7
97.06535	4.6
101.06015	4.8
105.07021	50.1
107.08582	18.2
109.06501	2.9
109.10178	8.0
117.07014	15.9
119.08573	44.8
121.10142	22.0
123.08042	3.7
131.08572	16.9
132.59349	2.8
133.10136	18.2
135.08009	7.4
135.11652	7.9
145.10123	41.0
147.11668	6.1
149.09590	5.7
149.13176	4.6
154.93221	8.8
159.11688	38.1
161.13249	53.4
163.11163	11.1
172.94209	26.4
173.13237	5.8
175.14798	5.9
190.95244	35.7
195.95897	5.0
201.16331	33.5
203.14261	12.7
213.96933	9.2
219.11563	3.5
219.17418	100.0
220.17940	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	219.1741
Annotation	Occidol
Peak:m/z	Relative Intensity
55.05490	6.9
56.96548	11.7
57.07055	3.3
63.43150	2.7
67.05482	9.9
69.07053	14.0
71.05001	2.6
71.78905	2.2
79.05479	14.6
80.76531	2.6
81.07047	25.9
83.08602	3.6
91.05452	21.9
93.07046	19.6
95.04948	6.1
95.08591	21.7
97.06520	3.4
105.07026	42.7
106.07380	3.1
107.08587	27.0
109.10126	10.6
117.07007	13.1
119.08579	41.1
121.10173	14.8
123.08025	5.0
123.11688	3.2
131.08575	18.3
133.10112	24.0
135.11665	15.8
145.10115	39.7
147.11714	6.3
149.09624	2.7
149.13252	5.3
159.11685	32.1
161.13249	45.9
163.11148	12.0
172.94273	10.2
173.13286	7.7
175.14786	9.9
180.87531	2.7
190.95232	14.5
191.17952	3.4
195.95984	3.9
201.16388	34.9
203.14246	8.9
213.96724	3.3
219.07637	3.4
219.17415	100.0
220.17737	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	219.1742
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.01853	1.1
55.05502	8.9
63.60283	0.8
65.03934	1.4
66.75053	0.9
67.05502	9.0
67.77514	1.0
69.07063	5.8
70.58947	1.6
71.04986	13.9
73.06544	1.0
75.50520	0.9
79.05484	13.2
81.07049	34.0
83.04971	3.9
83.08624	1.4
88.79613	1.0
91.05473	24.0
93.07030	20.4
95.04948	2.8
95.08598	12.4
97.06516	6.9
97.10168	2.3
99.08053	1.7
103.05467	2.1
105.07016	70.5
107.08577	20.5
109.06519	2.1
109.10158	8.0
112.06306	1.0
115.05446	1.9
115.97249	1.1
117.07012	6.7
118.07767	1.7
119.08558	16.5
121.06484	4.4
121.10133	14.0
123.08028	2.7
123.11686	1.6
125.09619	24.5
129.07042	1.5
130.07809	1.3
131.04904	1.6
131.08551	14.8
133.10112	100.0
134.10454	1.5
135.11681	3.9
137.09578	1.4
139.11189	1.9
143.08560	2.8
144.09297	1.9
145.10120	17.0
147.11670	13.9
149.09613	1.5
149.13248	1.4
157.10150	1.1
158.10922	1.8
159.11670	18.4
161.13246	9.4
163.11176	3.1
173.13242	2.8
175.14780	2.1
177.12743	2.1
177.16348	1.9
191.17958	1.6
201.16353	16.8
207.62590	1.0
219.14024	1.8
219.17413	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	219.1743
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03934	2.0
55.05511	5.8
56.96565	7.2
57.07069	2.6
60.87550	1.1
66.96188	1.2
67.05501	10.1
69.03399	3.7
69.07066	10.6
71.43324	1.5
79.05488	14.4
81.07050	34.8
83.04976	1.7
85.06530	2.4
91.05467	15.8
93.07042	26.7
95.04933	2.1
95.08604	20.5
97.06518	6.2
105.07024	46.3
107.08589	36.4
109.06496	5.3
109.10152	11.9
111.08057	4.4
117.06995	9.8
119.08562	28.6
121.06563	1.5
121.10138	11.5
123.08052	4.1
123.11694	1.8
125.09601	1.3
129.06940	2.1
130.07776	2.3
131.08551	19.1
133.10106	15.4
135.07990	2.9
135.11697	8.1
139.11197	1.9
142.15486	1.1
143.08528	1.1
144.09344	4.3
145.10110	41.1
147.11678	9.2
149.09586	1.4
149.13257	4.6
151.11174	1.8
154.93152	1.2
157.10126	1.9
159.11679	40.7
160.12198	1.2
161.13243	51.9
163.11197	5.0
163.14812	2.8
172.75836	1.1
172.94232	5.8
173.13261	5.8
175.14839	2.1
177.12726	6.6
190.95271	7.6
191.17896	2.9
199.25903	1.3
201.16382	26.5
201.18111	0.9
203.14262	4.1
219.17419	100.0
220.17685	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03941	1.5
55.05512	11.1
57.07072	2.0
67.05499	13.3
69.03425	2.5
69.07069	8.8
69.64243	4.1
71.04990	11.6
77.03933	1.0
79.05489	19.8
81.03415	2.3
81.07052	35.0
81.55815	1.2
83.04981	5.9
83.08601	2.4
85.06530	1.9
91.05471	28.6
92.09048	1.2
93.07040	28.2
95.04957	4.0
95.08601	16.8
97.06541	6.1
97.10161	1.8
99.08076	1.2
101.05986	2.4
101.26173	1.1
103.05460	1.5
105.07024	77.8
106.07219	1.2
107.04233	1.3
107.04929	3.4
107.08585	19.3
109.06501	3.5
109.10134	10.6
109.20334	1.3
111.08064	2.0
115.05446	3.6
116.06255	1.5
117.07022	17.6
118.07776	1.6
119.08567	21.7
121.06475	4.4
121.10143	13.5
123.08056	2.7
123.11678	3.6
125.09625	19.3
129.06996	4.8
130.07809	2.4
131.08557	29.4
133.10123	100.0
134.10449	1.5
135.08047	5.8
135.11635	6.2
137.09581	3.0
137.13199	1.8
141.06947	3.6
143.08553	3.7
144.09352	2.3
145.10109	24.2
147.11665	11.6
149.09621	2.9
149.13251	3.6
151.11150	2.4
157.10107	2.9
157.91678	1.3
158.10892	2.4
159.08020	2.3
159.11690	30.6
161.09637	2.1
161.13237	14.8
161.78561	1.2
163.03783	1.3
163.11162	3.5
164.36684	1.2
173.13216	7.2
174.06786	4.1
175.07414	1.8
175.14787	3.7
177.12759	1.7
183.11707	2.1
186.06783	1.7
189.09076	3.3
191.03442	1.3
191.14360	3.1
191.18010	1.9
201.09055	2.1
201.12772	4.1
201.16360	18.9
203.14299	4.0
219.02907	1.4
219.10243	5.0
219.13963	10.0
219.17418	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
50.95016	1.4
53.03936	3.5
53.55382	1.2
54.83392	1.3
55.05509	20.4
57.03428	2.4
57.07059	6.2
66.03531	1.8
67.05502	21.3
69.07050	12.0
69.17744	9.3
71.04976	2.0
72.39500	1.4
79.05492	22.4
81.07048	35.8
82.69382	1.4
83.04969	9.2
83.08596	5.8
85.06538	1.3
85.67668	1.4
91.04940	2.4
91.05473	34.4
93.07037	50.4
95.04967	7.2
95.08598	48.5
97.06508	3.4
97.10165	2.5
103.05439	5.8
105.07021	70.7
105.07732	3.4
107.08578	46.0
109.06507	5.2
109.10151	20.2
111.08054	5.2
115.05427	2.7
117.07007	22.0
119.08570	49.8
121.06516	2.2
121.10134	49.8
123.08038	4.1
123.11697	6.5
125.09595	3.6
129.06992	6.3
130.07784	7.3
131.04877	2.8
131.08556	49.0
133.10121	26.7
135.08037	2.9
135.11694	19.5
137.09512	1.9
143.08548	6.2
144.09308	4.7
145.10110	88.4
146.10846	3.3
147.11667	15.1
149.09615	4.4
149.13277	3.4
157.10112	6.3
158.10857	3.9
159.08034	1.8
159.10356	3.3
159.11682	64.8
161.13242	26.1
163.11131	9.9
163.14812	3.5
171.11633	2.2
172.12454	2.4
173.13232	19.9
175.14812	6.0
186.14041	2.5
189.09114	3.5
189.16386	2.6
191.17924	4.4
201.16362	83.1
203.14287	4.0
219.06529	1.7
219.10143	2.7
219.13927	3.4
219.17413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
54.73609	1.2
55.05499	9.3
56.96566	1.7
57.03425	2.7
57.07059	1.6
67.05499	13.4
69.07066	10.8
71.04997	1.9
79.05495	11.2
81.07048	22.5
83.04960	5.3
83.08601	2.8
85.06516	2.5
88.07652	1.5
91.04939	1.8
91.05469	17.4
93.07039	24.1
95.04973	6.6
95.08599	25.1
97.06507	3.5
97.10149	1.5
99.08079	1.1
103.05457	3.2
103.38633	1.2
105.07016	44.7
107.04942	2.3
107.08577	28.0
109.06491	7.4
109.10146	15.3
111.08071	3.1
115.05473	1.6
117.07007	12.1
119.08565	33.9
121.06496	3.6
121.10130	20.3
123.08054	4.2
123.11695	3.7
125.09605	1.3
129.06978	3.2
130.07787	2.7
131.04921	2.8
131.08560	23.4
133.06464	2.6
133.10124	20.3
135.08017	2.7
135.11693	8.7
137.05911	1.2
137.09570	1.9
141.06947	1.3
143.08505	2.9
144.09375	2.9
145.10101	36.6
146.10706	1.2
147.11694	9.4
149.05878	1.6
149.09602	5.2
149.13179	3.5
151.11264	1.1
155.18573	1.2
156.07336	1.5
157.07588	1.6
157.10081	3.6
158.10890	1.9
159.08025	3.3
159.11684	41.8
160.07468	1.3
161.13252	32.5
161.80090	1.1
163.07553	1.9
163.11153	8.0
163.14844	2.5
172.12390	1.2
172.94263	2.1
173.09590	1.7
173.13257	12.7
175.14850	5.7
177.09070	2.7
177.12753	3.5
177.16356	3.5
189.09079	1.8
189.16304	1.6
190.95274	3.9
191.14288	2.2
191.17947	3.1
201.12733	4.1
201.16356	41.4
203.14258	13.0
215.79521	1.3
219.06325	1.3
219.08122	1.4
219.09952	1.9
219.11714	1.8
219.14145	13.2
219.17412	100.0
219.21445	6.5
220.17772	1.9
225.26724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.2
59.11705	0.1
90.53317	0.1
126.31375	0.1
129.17746	0.1
129.45650	0.1
129.60327	0.1
152.06212	0.1
153.07031	0.2
163.05353	0.1
164.06209	0.2
165.06985	3.5
166.07668	0.2
172.80930	0.1
176.06181	0.4
177.06990	1.7
178.07751	3.6
179.08513	0.3
181.06465	0.4
182.07378	0.1
189.06908	1.0
190.07704	1.5
191.08534	21.7
192.09285	7.3
193.06503	0.4
193.10103	1.5
196.08772	0.2
197.09579	0.5
201.05011	0.1
201.05458	0.1
201.06955	2.8
202.07742	4.5
203.08528	17.1
204.05725	0.1
204.08842	0.8
205.06461	25.0
205.15817	0.3
206.06984	1.6
209.05920	0.4
215.22192	0.1
218.07256	2.7
218.09404	0.2
219.08022	55.5
220.08781	100.0
221.06067	1.5
221.09332	5.0
224.08231	0.5
229.07628	0.7
230.08035	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Pantothenate
Peak:m/z	Relative Intensity
55.01875	1.7
55.05512	1.1
56.96562	2.3
57.07070	9.9
59.04984	5.6
67.05509	6.0
69.07069	5.0
69.37080	4.8
70.02951	9.0
72.04510	13.7
72.22080	0.9
73.02921	4.7
74.02443	1.6
75.04499	1.2
76.04797	1.2
81.03426	1.0
83.04976	2.6
85.06531	9.4
86.09689	2.5
87.08090	2.0
90.05547	100.0
95.04964	8.0
96.08135	2.7
98.02411	15.6
98.97570	1.6
100.03963	2.2
103.07566	7.6
104.04240	1.1
105.07026	1.6
113.05981	3.1
116.03445	14.5
116.98611	2.0
119.08656	1.6
121.06470	1.2
124.07583	19.5
132.04488	1.0
142.08614	8.5
145.10130	2.8
146.06010	3.4
160.03177	1.2
160.09706	2.8
166.08621	2.1
174.05429	1.3
174.11247	1.9
184.09694	20.1
197.01167	1.9
202.10722	26.5
204.14688	3.6
205.15858	24.1
213.42731	0.9
220.05943	1.9
220.09732	2.4
220.11780	24.1
220.13860	1.3
220.17886	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05501	0.9
57.07073	8.4
58.91145	0.6
59.04994	4.3
67.05503	5.9
69.07065	4.7
70.02953	8.0
70.61414	1.3
72.04507	15.5
73.02917	3.0
74.02419	1.8
83.04992	1.7
84.08131	1.1
85.06539	10.6
86.09700	0.8
87.08086	1.5
90.05548	100.0
95.04948	5.7
96.08118	2.4
98.02408	15.0
100.03971	2.2
103.07574	7.9
113.06012	2.3
116.03447	13.2
124.07588	17.1
130.10193	0.7
131.07033	1.2
132.10223	1.3
139.35678	0.7
142.08636	7.0
156.10199	1.4
160.09668	1.9
166.08685	1.5
173.38397	0.7
174.11234	2.7
177.12782	1.1
184.09677	18.4
202.10715	27.0
204.14658	1.4
205.15862	9.7
220.05908	0.8
220.11766	25.2
220.17894	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	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
52.08363	1.2
55.01873	1.7
57.07075	1.9
69.99850	4.2
77.38901	1.1
81.07058	2.1
82.02960	1.5
84.65097	1.3
91.05465	2.1
94.06554	3.3
94.71540	1.3
95.08624	1.5
105.07021	1.7
109.06526	1.5
115.05481	1.6
119.08519	2.3
121.06480	1.7
123.08172	1.2
128.06154	1.3
129.07039	2.2
130.06522	47.6
131.06865	2.0
132.04437	32.4
143.31784	1.1
144.36145	1.1
154.78627	1.3
157.06421	2.8
157.07600	22.4
158.06012	66.6
175.08659	100.0
176.07036	1.4
180.11841	1.3
186.05511	3.7
197.01192	1.6
203.06934	3.6
204.06609	4.4
204.14597	1.9
205.15889	11.1
206.16203	6.1
220.17906	4.8
221.00845	1.5
221.09259	24.0
221.18294	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
55.05494	0.3
62.09202	0.2
64.06262	0.2
67.05520	0.2
67.60596	0.2
71.36006	0.2
79.05479	0.5
81.07043	0.6
91.05465	1.4
93.07050	0.5
95.04953	0.3
95.08597	0.5
103.05455	0.4
105.07026	1.1
107.08578	0.6
108.04775	0.2
109.10130	0.2
111.64481	0.2
115.05447	1.5
116.06227	0.6
117.07014	5.2
117.46120	0.2
119.08565	0.9
121.06506	0.3
123.20222	0.2
128.06238	1.1
129.07030	0.3
130.06602	0.2
131.04826	0.3
131.08549	0.3
133.06487	1.4
133.10115	0.3
134.07236	1.2
135.08043	0.9
135.11668	0.4
137.09647	0.2
143.08534	1.1
144.05669	0.7
145.06509	1.0
147.08086	0.5
147.11679	0.5
149.09648	0.3
155.06013	0.3
158.06041	0.3
160.05197	0.4
161.05965	0.8
161.08203	0.6
161.13301	0.3
162.06760	5.6
165.06932	0.3
171.08025	0.8
175.07532	2.5
175.08846	0.2
175.14725	0.3
176.07037	3.5
177.09099	100.0
178.09436	1.9
193.06543	0.2
203.10632	0.7
206.16283	0.3
221.05988	1.0
221.07971	0.3
221.11755	0.3
221.15259	0.5
221.18932	0.6
222.07576	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	221.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99117	0.2
53.85912	0.2
55.05516	0.4
61.04438	0.3
69.33932	1.5
70.27409	0.3
89.40862	0.2
106.78858	0.2
108.99710	0.3
129.07019	0.3
142.18527	0.2
147.77260	0.2
165.07033	0.9
177.07047	0.6
178.07755	12.7
179.08511	2.1
180.09279	0.3
189.06857	0.4
190.07820	1.2
191.08533	19.1
192.09296	4.3
193.10100	12.7
193.11897	0.4
194.10423	0.5
203.08557	0.4
205.06343	0.3
205.10114	7.2
206.10878	100.0
207.11223	3.2
217.34941	0.3
221.09720	21.6
221.13208	58.8
222.09952	0.6
222.13507	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04523	0.4
54.63923	0.4
58.06594	0.7
60.08157	4.5
69.45242	0.4
70.21664	1.0
71.48433	0.4
101.90652	0.4
103.86383	0.4
104.10734	100.0
105.11042	1.0
144.82253	0.4
166.67461	0.4
207.75974	0.4
224.34392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05499	14.1
57.07071	7.3
64.46426	4.6
65.53010	4.3
67.05498	26.0
69.07062	13.4
69.66864	10.6
71.04977	11.5
79.05486	26.6
81.07046	53.2
83.08627	8.8
85.06542	7.1
91.05473	18.7
93.07036	43.2
95.08595	68.5
105.07013	61.0
107.07923	8.5
107.08587	100.0
109.10146	64.7
119.08567	41.2
121.10139	29.9
123.08073	6.1
123.11692	14.7
133.10094	36.4
135.07939	4.8
135.11679	12.3
135.37003	4.1
137.09668	6.5
147.08032	7.7
147.11667	66.1
156.63002	5.0
161.13246	29.7
163.14795	50.2
165.09093	10.6
175.08507	4.7
175.14757	5.8
177.16370	10.4
184.84457	4.4
203.17932	61.7
206.10867	5.8
207.49034	4.2
218.06087	4.6
221.13239	11.1
221.15366	10.4
221.19008	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05508	7.8
57.07063	8.5
58.46171	2.6
61.95314	2.6
67.05498	19.0
69.07071	18.0
71.04987	8.4
79.05481	19.4
81.07045	47.3
83.08626	7.6
85.06544	10.7
91.05447	19.0
93.07029	47.6
95.08594	58.0
96.15009	2.4
97.06487	2.6
99.08058	2.7
105.07027	67.2
107.08584	100.0
109.06505	4.2
109.10135	48.8
119.08575	45.1
121.10132	36.8
123.08105	3.1
123.11699	15.5
133.10117	36.4
135.11691	11.0
146.42581	3.0
147.11668	97.5
149.13304	6.4
151.11185	6.6
161.13240	32.7
163.14795	53.5
165.12788	5.3
175.14793	6.0
177.16399	4.3
203.17924	87.8
221.15468	3.9
221.18962	63.3
232.42522	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05492	8.5
55.54181	2.1
57.04881	1.8
57.07056	7.0
59.05000	2.5
67.05503	23.0
69.07066	17.1
71.04982	10.2
79.05479	20.9
81.07047	48.5
83.08606	9.1
85.06532	8.9
91.05472	19.3
93.07034	47.7
95.04936	3.6
95.08593	61.8
97.06499	2.1
97.10181	2.8
98.22693	4.0
98.23370	9.6
99.08097	5.2
105.06346	3.9
105.07021	56.3
107.08583	100.0
109.06509	3.7
109.10148	61.8
111.08058	2.7
119.08575	44.0
119.79499	1.9
121.10126	37.5
123.08022	2.1
123.11704	16.9
125.09626	2.5
133.10127	30.2
135.11676	16.8
137.09644	2.8
137.13274	2.3
145.10132	4.4
147.11671	74.4
149.13269	4.3
151.11128	7.2
159.11612	2.0
161.13232	25.4
163.14803	56.7
165.12715	6.1
175.14778	3.3
177.16348	4.8
184.85449	2.0
203.17924	75.8
221.07347	2.4
221.18987	45.0
229.06569	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05504	12.3
57.07073	8.2
62.54599	2.5
63.27450	2.6
67.05505	24.0
69.07057	21.1
71.04983	11.2
71.26119	4.1
72.11331	2.4
78.65591	2.4
79.05485	20.9
81.07050	42.6
83.08634	4.8
85.06557	5.5
86.35449	2.6
91.05468	21.3
93.07042	47.5
95.08593	58.2
97.10152	3.4
99.08105	4.1
105.07023	57.9
107.08588	100.0
109.06552	3.3
109.10158	63.9
119.08573	35.6
121.10136	37.6
123.11697	12.8
133.10130	38.4
135.11691	14.9
137.13309	3.5
147.11684	70.9
147.12866	3.7
151.11133	3.7
161.13246	32.3
163.14798	44.3
163.16002	4.0
165.12794	5.0
175.14803	5.1
177.16373	6.5
183.87395	2.6
203.17931	81.3
221.18999	44.6
232.91354	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05500	15.9
55.80135	6.5
57.07063	8.0
60.96016	6.1
67.05485	36.0
69.07061	35.5
70.37699	6.2
71.04980	13.7
71.42819	6.5
71.43243	6.7
73.33764	6.2
79.05482	22.8
81.07058	48.8
83.08595	12.3
85.06528	10.0
91.05456	19.8
93.07030	48.4
95.04917	6.3
95.08603	66.8
99.08110	7.3
105.07033	65.7
107.08581	100.0
109.06516	6.5
109.10175	58.1
109.85938	7.0
111.08107	6.4
111.98476	7.0
113.09618	6.7
119.08562	45.4
121.10147	43.6
123.08119	8.1
123.11691	20.9
133.10097	30.6
135.11682	19.6
145.10120	6.4
147.11676	83.6
151.11115	9.3
161.13229	23.6
163.14798	56.8
165.12733	9.1
177.16399	6.6
178.68794	6.2
199.71782	6.7
203.17947	63.2
221.15529	8.6
221.19016	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	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.22357	2.7
55.05497	12.5
57.07052	7.7
64.19429	2.7
67.05497	28.0
69.07054	24.4
69.39591	13.8
71.04974	10.7
79.05479	28.0
81.07043	50.2
83.08605	8.1
85.06541	13.5
91.05472	17.7
93.07033	41.4
95.08592	64.0
97.06485	4.7
99.08099	5.5
105.07021	59.0
107.08582	100.0
109.06512	3.1
109.10144	57.0
111.08109	4.3
113.09574	3.3
119.08567	46.5
121.10116	44.8
123.08061	5.3
123.11699	23.9
125.09587	3.1
133.10112	32.5
135.11719	15.3
135.12547	2.6
137.09584	4.3
137.13280	3.2
138.05687	2.9
145.10197	3.2
147.11673	70.8
149.13211	4.8
151.11140	4.2
161.13232	25.9
163.14798	56.4
165.09074	4.5
165.12747	6.0
175.14819	6.6
177.16380	4.9
179.14243	3.3
182.25864	3.0
203.17929	74.1
221.18985	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.47756	2.6
55.05502	9.6
57.07066	10.4
59.05003	3.6
59.72726	2.5
64.27940	2.5
67.05489	18.0
69.07063	23.8
71.04982	9.6
72.81824	2.6
79.05480	20.0
81.07044	56.2
83.08617	8.1
85.06525	6.2
91.05467	16.8
93.07027	47.6
95.04934	4.5
95.08597	58.9
96.11470	2.7
97.06543	4.1
99.08096	5.0
103.81006	3.0
105.07018	64.8
107.08581	100.0
109.06479	4.3
109.10140	54.6
119.08557	39.8
121.10133	35.1
123.08074	4.1
123.11716	15.8
123.59862	2.4
133.10109	34.1
135.11687	12.7
137.09587	7.4
145.10068	3.0
147.11670	64.9
149.13235	5.3
151.11191	3.4
159.11687	3.7
161.13245	25.1
163.14793	41.7
165.09108	8.4
168.92987	2.4
175.14793	3.9
177.16339	3.2
196.68752	2.8
203.17934	56.1
221.09232	3.3
221.13387	2.8
221.15443	6.5
221.18968	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05506	10.4
57.07070	10.5
61.71336	2.4
63.16977	2.7
64.08932	2.3
67.05499	23.1
69.05248	2.5
69.07060	18.1
69.61325	7.7
71.04991	11.2
79.05478	21.7
81.07041	50.3
83.08609	7.5
85.06562	7.0
91.05457	18.5
93.07036	40.1
95.04952	4.3
95.08591	65.9
97.06545	3.4
97.10132	2.6
98.23523	2.5
99.08086	4.5
103.23329	2.3
105.07015	64.5
106.92004	2.7
107.08584	100.0
109.06518	3.4
109.10140	62.4
111.08060	3.2
113.09651	4.0
119.08559	43.6
119.55928	2.2
121.10139	35.4
123.08041	2.6
123.11688	18.2
133.10109	38.6
135.11697	12.6
138.59802	3.4
145.10089	2.9
147.11673	80.1
149.13297	6.1
151.11249	2.9
151.14801	4.2
161.13242	30.2
163.14796	50.6
165.09224	2.2
175.14822	5.3
177.16351	5.1
203.17931	67.0
221.09331	3.5
221.13374	3.9
221.15431	5.2
221.18976	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05506	11.3
57.07074	4.4
62.75185	1.7
67.05494	8.4
69.07072	13.2
69.10935	6.4
69.11359	6.0
71.04991	22.6
79.05489	22.0
81.07050	68.6
83.08625	6.4
83.27037	1.9
85.06520	2.5
91.05487	7.6
93.07034	40.6
95.04997	3.7
95.08600	28.4
97.06522	2.7
97.10133	1.8
99.08084	5.1
103.42559	1.9
105.07014	24.9
107.08589	60.6
109.06529	2.1
109.10152	24.8
111.07993	2.1
111.11658	2.5
113.09634	2.5
119.08575	47.5
121.10149	9.2
123.08054	2.8
123.11694	14.4
125.09624	2.0
127.11205	5.2
128.71625	1.9
133.10104	20.2
135.11685	100.0
137.09596	2.8
137.13232	2.0
137.72227	1.7
147.11687	22.5
149.13249	6.9
151.11188	4.3
161.13240	9.3
162.52750	1.8
163.14793	4.8
173.32510	1.8
175.14803	3.8
185.79164	1.7
200.67169	1.7
203.17938	36.4
208.31099	2.0
221.15581	2.2
221.19000	53.5
221.21655	2.6
244.66969	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05500	15.9
57.07077	5.0
67.05488	13.7
69.07059	14.9
71.04992	25.3
71.40870	2.3
79.05489	26.1
81.07053	80.1
83.08595	6.3
91.05437	13.2
93.07043	49.8
95.04991	4.8
95.08598	41.6
97.06516	4.4
97.10168	6.7
97.67885	2.7
99.08123	3.7
105.07023	40.0
107.08588	69.6
109.06557	3.9
109.10145	28.6
113.09616	2.7
117.07021	4.9
119.08568	52.4
121.10163	13.8
123.08079	5.9
123.11717	17.6
125.09657	3.1
127.11184	8.6
133.10126	25.3
135.11688	100.0
137.09624	7.3
147.11684	29.4
149.13269	10.5
151.11243	4.0
159.11624	3.0
161.13293	14.6
163.14873	6.7
165.12779	6.0
175.14919	4.3
177.09116	35.5
177.12750	6.7
177.16350	4.1
193.15939	8.0
194.37714	2.7
203.14377	3.6
203.17966	44.6
221.11792	3.0
221.15382	10.6
221.18958	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.66201	1.1
53.03926	1.7
55.05505	8.7
57.07063	3.3
65.03937	1.1
67.05486	8.2
69.07051	8.2
69.37406	5.7
71.04987	16.2
72.04131	1.1
79.05488	16.0
81.07050	44.3
83.04956	1.8
83.08600	3.9
91.05463	11.0
93.07035	34.9
95.04959	3.2
95.08595	23.7
97.10131	2.7
99.08073	5.0
105.07019	18.5
107.08586	59.9
108.08904	1.4
109.06525	3.0
109.10143	17.5
111.08038	2.0
113.09620	1.2
119.08565	31.8
121.10131	9.3
123.11682	14.8
125.09618	1.4
127.11162	3.8
131.08534	1.4
133.10115	23.2
135.08069	2.0
135.11678	100.0
136.11989	1.4
137.09630	3.3
137.13234	3.0
145.10071	1.9
147.11661	18.4
149.13240	5.0
151.11227	3.0
159.11632	1.1
161.13229	11.2
163.14810	4.3
165.12761	2.7
175.14818	3.6
176.07030	1.8
177.16339	3.0
188.47450	1.0
193.19540	1.2
196.34462	1.4
203.17934	27.2
205.88152	1.1
221.15387	3.5
221.18987	38.4
221.21985	2.3
222.07535	1.7
238.29359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05499	8.0
57.07066	3.7
67.05504	10.8
69.07066	11.9
69.20390	9.9
71.04990	24.3
71.08607	1.7
79.05479	17.8
81.07051	70.7
83.04961	1.8
83.08595	3.4
91.05462	10.1
93.07042	42.9
95.04965	2.2
95.08608	25.4
96.93177	1.5
97.06511	4.1
97.10145	2.8
98.23449	3.1
99.08108	2.8
105.07023	32.6
107.08588	58.9
109.06474	3.0
109.10136	22.6
113.09600	1.9
117.07002	2.5
119.08562	41.1
121.06528	2.0
121.10128	13.6
123.08036	2.4
123.11709	12.7
127.11180	6.7
133.10120	23.8
135.11684	100.0
137.09573	4.5
137.13232	2.7
145.10184	4.3
147.11679	25.3
148.10680	2.1
149.13226	6.5
151.11092	3.3
159.11639	1.8
161.13208	12.1
163.14824	3.0
165.12753	4.2
175.14815	4.8
177.09109	8.7
195.19995	1.8
203.17947	33.1
221.15314	3.0
221.18990	48.3
222.19212	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.15987	1.0
54.92807	1.2
55.05508	11.4
55.80887	1.0
57.07061	3.4
67.05499	7.5
69.07066	10.8
71.04988	22.0
73.06554	1.4
79.05482	13.1
81.07050	55.9
83.04990	1.3
83.08617	5.9
86.68006	1.1
87.75363	1.1
91.05466	10.4
93.07043	32.9
95.04937	1.4
95.08600	25.5
96.07681	1.2
96.55740	1.0
97.06528	1.7
97.10147	3.3
99.08083	5.0
105.07019	26.3
107.08587	56.8
108.08925	1.8
109.06522	2.2
109.10146	22.1
111.08051	3.1
119.07738	2.1
119.08569	32.0
119.38591	1.0
121.10156	9.2
123.08041	4.0
123.11693	16.8
125.09643	1.4
127.11192	7.4
133.10115	24.6
135.11682	100.0
136.12010	2.5
136.66087	1.2
137.09581	3.7
137.13190	3.2
139.11153	1.3
145.10072	1.4
147.11676	18.4
149.02328	6.5
149.13246	7.7
151.11165	3.1
159.11678	2.0
161.13223	13.7
163.14816	5.4
165.12732	1.5
175.14810	3.8
177.09065	2.1
177.16397	1.4
185.27487	1.1
203.14236	1.3
203.17946	30.3
206.16136	1.4
221.15343	3.3
221.18983	44.1
223.60619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0759
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
57.86045	0.2
69.31130	1.4
78.35049	0.2
89.03901	0.3
91.05489	0.5
93.03383	0.5
97.63334	0.3
100.64693	0.3
107.04955	0.6
108.75992	0.3
111.04424	1.7
113.80424	0.3
117.03306	0.3
120.08114	0.4
130.06509	2.9
131.95320	0.3
133.05240	0.6
135.04398	3.8
137.05994	0.5
139.03886	3.8
148.07564	3.8
152.07060	1.7
158.05992	3.0
162.05490	0.6
163.03909	2.4
163.06259	0.9
165.05508	0.7
175.47891	0.3
176.07053	78.9
177.07535	2.7
178.08647	1.1
180.06551	0.3
181.04965	0.9
193.04941	1.5
222.07591	100.0
223.07991	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
57.03432	1.6
69.22963	1.0
77.03914	0.4
78.84404	0.2
79.05489	0.2
85.02898	8.5
85.38847	0.2
88.44370	0.2
89.07098	0.2
89.43555	0.2
89.53533	0.2
91.05471	3.3
93.07040	7.5
95.04980	1.5
95.85905	0.2
98.07287	0.2
101.34953	0.2
102.05565	0.4
103.05460	5.2
105.04509	0.8
121.06496	100.0
122.06817	1.8
138.09123	10.6
170.36893	0.2
204.10185	7.2
204.14276	0.2
222.11224	5.8
223.07391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.05507	69.2
55.59095	0.5
58.99577	4.4
67.05486	0.7
76.02218	1.9
83.08611	100.0
83.72649	0.7
84.08960	1.0
86.99057	5.2
101.09648	12.3
105.00073	9.5
121.06448	2.8
122.02686	1.4
130.06509	2.3
149.02336	1.7
159.08302	1.2
162.06282	2.8
168.02603	0.6
176.07088	1.8
204.07320	1.0
205.08914	13.5
222.07625	3.0
222.11496	1.8
223.07579	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	223.0937
Annotation	cytosine dimer
Peak:m/z	Relative Intensity
52.03645	15.3
69.07054	29.1
77.23990	15.8
79.19194	16.2
81.07050	21.1
83.08570	24.2
88.07358	16.3
95.08598	20.0
96.98878	16.2
107.08572	28.7
109.10164	17.3
116.98639	19.4
123.04163	38.7
149.02322	68.6
154.86786	16.2
164.92010	36.2
167.04686	21.5
194.94742	17.0
223.09198	100.0
223.16963	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Pichiacin A
Peak:m/z	Relative Intensity
53.01394	0.3
53.03937	0.4
55.05509	1.6
57.03439	0.6
66.98396	0.4
67.05488	1.0
69.07073	0.4
71.04977	0.4
73.06543	0.9
77.03925	0.4
79.05487	5.9
81.03437	0.5
81.07051	1.2
83.04969	0.6
85.06519	0.4
91.05495	0.6
93.07034	1.1
95.04953	2.7
95.08598	1.5
101.06021	1.4
103.05468	4.0
105.07021	100.0
106.07354	1.4
107.08574	0.5
109.10135	0.5
121.10118	0.8
125.09593	0.3
135.11703	0.4
149.02335	2.7
149.13272	0.5
167.07053	0.4
223.11081	0.6
223.13199	0.5
223.16885	0.8
225.04329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.9721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60983	12.1
70.06799	11.4
81.58044	14.0
94.93004	32.1
118.01227	11.9
223.95085	16.7
223.97124	100.0
223.99014	12.7
241.37630	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	224.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	45.7
57.03433	16.0
57.28801	11.6
58.02955	17.5
61.75894	11.2
63.57494	12.4
65.21718	11.8
66.83484	10.4
71.42704	11.8
72.04520	10.4
73.02899	11.4
84.04514	11.2
84.96024	12.9
86.06064	10.4
87.04474	13.6
98.97596	31.3
101.02374	14.1
104.07159	11.0
115.03893	20.9
116.98611	24.9
119.01920	34.3
129.01840	57.8
131.01932	15.0
133.04956	14.9
134.99692	21.1
142.88354	12.7
149.02438	13.5
157.01337	26.8
161.04446	49.5
177.00923	88.9
183.01427	12.1
189.03984	25.5
201.00755	20.6
219.02014	100.0
226.04404	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	224.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02190	0.4
70.02531	0.2
115.40749	0.1
141.06956	0.6
142.07762	0.6
152.06171	2.7
152.07297	0.2
153.06984	13.7
154.07599	0.5
155.08469	0.3
165.07010	0.7
166.07547	0.3
167.08542	9.0
168.09326	18.0
169.06413	0.3
169.09698	0.5
176.43896	0.2
177.06931	0.5
178.07758	3.2
179.08546	4.5
181.06464	32.6
182.06793	1.0
185.05943	0.4
195.08037	28.3
196.08806	23.7
196.11823	0.4
197.09200	0.8
203.72513	0.2
205.06458	0.7
206.07201	0.5
207.08037	3.2
209.05954	4.8
210.06429	0.2
223.07481	1.0
224.08290	100.0
225.08690	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	224.0916
Annotation	13-Hydroxystreptazolin
Peak:m/z	Relative Intensity
50.28864	1.3
52.63702	1.5
60.04506	4.1
65.03919	1.8
66.72721	1.4
68.05027	1.6
68.99792	1.4
70.50346	1.8
77.03928	1.6
79.05495	7.9
80.04981	2.9
81.07066	1.7
91.05466	8.1
92.05009	1.8
93.03355	1.5
93.07053	2.7
94.02914	13.5
94.04166	2.0
95.04976	7.4
103.05457	2.4
104.04999	2.1
105.03402	8.6
105.04518	2.2
105.07047	1.3
106.06539	3.1
106.29525	1.4
107.04933	11.9
109.06512	6.8
110.06015	5.6
111.04445	5.6
111.15257	1.6
117.05750	1.6
118.06538	14.8
119.04948	3.1
120.04447	5.3
120.08102	2.0
121.02883	2.0
121.06488	3.7
122.03632	1.8
124.07582	6.6
125.05973	2.8
132.04443	1.9
133.02835	11.6
133.03693	1.9
133.05130	1.8
134.05968	4.8
135.04420	9.5
136.07523	4.5
137.05972	15.3
138.05460	6.6
139.03851	3.2
145.05357	1.6
146.06004	35.8
148.03943	2.2
148.07535	3.7
149.02333	75.9
149.04710	11.6
149.05820	3.6
150.02843	1.5
151.03900	10.2
151.06279	2.2
151.07426	1.9
152.07076	14.2
160.07501	1.6
161.05948	6.0
162.05487	15.9
163.03900	39.4
163.06201	9.6
164.03380	5.6
164.07042	4.1
165.05476	29.8
165.07652	1.5
166.04979	48.3
166.06363	2.7
174.05499	73.0
176.07068	6.0
177.05331	1.8
178.05095	2.1
178.08670	11.6
179.03319	4.6
179.05719	6.8
179.06975	2.7
180.06573	11.5
181.07320	100.0
189.05455	4.1
190.04997	1.9
191.05696	3.2
192.06590	10.2
193.07237	2.1
194.08138	25.9
206.06157	3.0
206.08110	61.6
224.09297	56.2
225.07532	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	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03931	1.8
55.01859	3.4
55.05514	7.1
57.03424	2.3
57.07077	1.6
59.05001	1.1
62.26439	1.4
65.03921	5.7
67.05495	11.1
69.03401	1.3
69.07072	5.5
69.66607	2.4
69.66976	3.6
71.04988	9.8
71.64109	1.1
77.03931	1.3
79.05486	5.1
80.06288	1.3
81.07050	32.8
83.04960	4.7
83.08641	2.0
85.02886	3.3
85.06530	3.1
89.03908	3.5
91.05473	66.9
93.07039	6.5
95.04960	12.1
95.08599	11.5
97.02861	1.5
97.06509	4.1
97.10127	1.4
98.09646	1.7
99.04448	64.7
99.08086	5.3
101.06000	1.5
103.05466	6.2
104.02604	1.8
105.03378	1.8
105.06999	8.2
107.04942	2.4
107.08591	10.6
108.05726	1.3
109.06519	7.1
109.10146	11.2
115.03889	2.6
117.03337	1.4
118.04126	8.6
119.04934	69.8
119.08583	9.2
121.02850	2.2
121.06488	3.6
121.10154	10.2
123.04406	6.7
123.08035	9.5
123.11688	6.5
126.01019	3.4
127.07523	3.9
127.11160	4.7
129.03261	1.2
131.04868	2.0
132.02066	5.2
133.02846	1.4
133.10127	3.7
135.04398	2.8
135.07986	1.4
135.11627	1.9
136.05170	3.1
137.06000	1.6
137.09631	10.2
137.13214	6.2
141.09106	4.1
143.08501	2.4
145.10115	1.7
146.03644	1.6
147.04395	50.1
147.08026	3.1
147.11681	7.3
148.04919	1.6
149.02330	7.7
149.05995	1.2
149.09605	12.9
151.07550	2.4
151.11160	6.7
153.05394	1.8
157.03947	6.6
161.09660	1.7
161.13269	3.0
163.03815	1.3
163.11188	4.1
164.04683	6.2
165.12772	6.0
171.11650	1.4
174.03024	2.5
175.03886	84.1
176.04332	1.8
177.01828	3.6
179.07031	4.8
179.14224	1.4
183.06497	2.7
183.13805	1.1
189.12717	6.4
192.04155	27.7
193.04938	6.2
198.14888	2.2
207.06491	100.0
207.13823	4.2
208.06372	1.6
225.07616	4.1
225.14725	8.7
242.85144	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	Sparanone A
Peak:m/z	Relative Intensity
53.03934	1.3
55.01865	1.1
55.05490	1.2
55.68585	0.8
63.82262	0.7
65.03933	0.8
66.04708	1.7
67.05486	2.1
69.07056	1.1
77.03944	1.5
79.05490	8.4
81.07043	2.1
82.23964	0.8
83.04942	1.1
91.05464	5.7
92.06764	0.7
93.03392	1.5
93.07048	1.2
94.04170	2.6
95.04971	4.8
95.08559	1.7
95.47852	0.7
97.06548	0.9
99.04436	0.9
104.02621	1.1
105.03374	2.3
105.04510	1.1
107.04939	0.9
107.08569	0.9
109.06501	7.1
111.04442	3.0
119.04957	5.1
121.02849	2.3
121.10111	1.1
122.03651	4.4
123.04420	3.7
123.08016	1.3
133.02776	1.8
133.10085	1.0
135.04410	1.1
135.11658	0.8
136.05150	1.7
137.05960	3.4
137.09546	1.3
139.03893	2.7
141.05493	0.9
147.04387	3.4
149.02335	6.2
150.03107	2.0
151.03888	31.8
153.01842	2.0
153.05528	1.2
155.07014	1.1
157.03937	0.9
163.03877	2.0
164.04668	3.3
165.01848	1.5
165.05450	4.7
165.06734	1.5
167.03392	5.9
169.06429	1.4
173.66858	0.8
175.03874	6.1
179.03377	8.8
181.04932	2.0
181.60419	0.8
182.05768	5.6
192.04163	3.2
193.04857	2.7
195.02882	2.6
195.06520	6.1
195.96046	0.7
197.05965	4.0
207.06476	7.2
207.10168	1.2
207.13774	1.1
210.05217	3.5
210.49054	0.8
217.27147	0.9
225.03868	4.8
225.05646	4.6
225.07545	100.0
225.19652	1.0
226.07872	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	225.0757
Annotation	Sparanone A
Peak:m/z	Relative Intensity
51.02365	0.5
53.03934	1.4
57.07740	0.5
59.30944	0.4
60.71096	0.4
65.03924	1.2
66.04709	1.5
69.03423	0.5
69.17334	1.3
69.17735	1.5
77.03926	1.8
79.05493	8.1
81.07039	0.7
93.03379	1.0
94.04174	2.2
95.04970	2.6
95.05459	0.4
104.02609	0.6
105.03386	1.5
105.04483	0.9
107.01322	0.5
107.04963	1.2
109.06508	5.7
111.04463	2.2
121.02866	2.2
122.03651	4.3
125.05967	0.6
133.02846	2.6
135.04381	0.7
136.05196	2.6
137.05975	4.2
139.03886	1.3
149.02341	5.8
150.03075	2.1
153.01857	1.1
153.05466	1.3
164.04683	4.1
165.05450	6.2
167.03365	7.3
167.06972	0.8
181.04929	1.4
182.05739	5.2
192.04079	0.6
193.04893	1.6
195.02831	2.3
195.06508	7.4
196.03636	0.5
210.05249	4.5
225.07558	100.0
226.07872	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39865	0.1
55.01864	0.7
55.52206	0.1
62.98257	0.1
71.43285	0.1
81.07069	0.2
87.29976	0.1
87.59293	0.1
90.47778	0.1
101.94992	0.1
101.96569	0.1
141.06956	0.3
151.05444	0.1
152.06221	0.3
153.06964	0.8
154.07600	0.2
155.08531	0.9
163.05455	0.2
165.06982	2.5
168.05713	1.0
169.09921	0.2
177.06995	0.8
177.32031	0.1
178.07759	20.8
179.08536	100.0
180.08871	2.6
181.06456	0.4
181.10172	0.1
182.07237	1.3
183.08034	18.1
183.11462	0.4
184.08350	0.5
185.09483	0.1
189.06984	0.5
192.05650	1.1
195.08096	0.7
196.08588	0.2
197.09483	0.5
197.13336	0.1
205.06419	0.3
206.07211	0.4
207.08029	93.6
207.41058	0.1
208.08348	2.7
210.06801	0.2
210.10387	0.5
225.09180	3.2
225.12694	5.8
225.14700	0.3
225.19539	0.2
226.13100	0.2
247.64157	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	225.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
63.91994	0.1
69.71607	0.2
69.71955	0.5
72.33512	0.1
101.95026	0.2
104.50482	0.1
125.68617	0.1
151.05373	0.2
151.82968	0.1
152.06120	0.3
153.06934	0.4
155.08507	0.2
173.31775	0.2
176.06084	0.2
177.06953	0.7
178.07756	20.2
179.08534	100.0
180.08868	3.1
182.06950	0.2
189.06956	0.6
192.05704	1.1
196.08331	0.2
197.09444	0.1
205.06380	0.2
206.07251	0.5
207.08025	92.9
208.08354	3.1
225.09084	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	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03936	1.2
55.01859	5.2
55.05504	13.1
57.03421	3.8
57.07060	2.8
59.04982	1.8
65.03930	2.5
67.05498	18.4
69.03422	10.3
69.07063	6.0
71.04984	10.0
72.90723	1.0
79.05112	1.4
79.05489	17.9
81.03416	2.1
81.06618	1.8
81.07047	19.9
83.04977	8.5
83.08630	2.5
85.02900	27.8
85.06525	10.3
91.05472	54.6
93.07036	22.4
95.04962	12.4
95.08599	32.2
95.09207	1.5
97.06511	4.3
97.10144	1.6
98.22600	2.1
99.04452	18.8
99.08070	1.7
103.05451	4.1
104.06244	1.0
105.03382	1.8
105.07019	59.3
107.04943	11.3
107.08585	22.0
109.06509	10.8
109.10133	8.3
111.04440	1.7
111.08023	1.3
115.04029	1.1
115.05472	2.5
117.07007	13.4
119.04935	9.1
119.08569	100.0
120.08909	1.5
121.06502	6.1
121.10132	24.1
123.04426	7.1
123.08065	16.9
123.11687	10.7
125.05991	5.3
125.09615	1.9
126.01073	2.8
127.07535	3.1
127.11218	1.8
128.06221	8.2
129.07002	20.7
130.07700	1.4
131.08549	9.1
132.05655	1.6
133.06494	7.2
133.10114	45.3
135.04417	4.3
135.08049	6.5
135.11674	8.8
137.05939	4.3
137.09598	14.8
137.13200	3.7
139.11203	2.4
141.05460	1.8
141.09105	7.4
143.08548	34.9
145.06468	3.9
145.10121	10.9
146.07298	1.2
147.04399	2.9
147.08032	86.7
147.11630	7.0
148.08430	1.9
149.09590	15.7
151.07533	5.9
151.11157	6.2
153.05466	3.3
153.09065	1.2
161.05983	13.4
161.09599	48.9
161.13223	6.0
162.10036	1.1
163.07526	1.7
163.11174	25.5
165.05470	7.7
165.09076	12.6
165.12717	10.5
167.10683	2.0
171.08018	2.1
171.11728	1.3
175.03862	4.7
177.09085	2.9
179.07045	4.1
179.10670	14.8
179.14305	4.6
181.12215	7.4
189.09065	23.7
189.12798	5.0
190.09399	1.0
192.04146	1.3
195.10139	22.2
207.06505	4.5
207.10133	90.0
207.13461	10.6
208.10521	2.1
225.05493	2.1
225.07535	2.3
225.11195	41.2
225.14638	12.3
226.11577	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	MKN-003A
Peak:m/z	Relative Intensity
52.86454	1.4
53.03937	1.3
54.91332	1.4
55.01867	1.8
55.05509	10.7
57.03424	4.2
57.07064	2.0
59.04982	2.5
62.12258	1.3
67.05503	11.7
69.03403	1.5
69.07069	7.4
69.52915	5.1
71.04990	13.0
79.05484	9.4
81.07052	41.3
83.04961	6.7
85.02900	3.9
85.06532	3.4
87.02557	1.3
87.03957	1.3
91.05457	11.8
93.07060	7.8
93.07519	1.4
95.04947	5.1
95.08598	20.1
97.02885	4.8
97.06519	4.0
97.10157	2.8
99.04447	100.0
99.08090	6.3
101.06095	1.3
103.61397	1.3
105.07038	11.6
107.08582	14.2
109.06527	8.3
109.09412	1.9
109.10142	17.6
111.08052	4.6
115.03907	2.2
119.04918	7.1
119.08559	11.3
121.10134	14.3
123.08049	15.4
123.11697	6.6
125.09575	1.5
127.07528	4.0
127.11171	6.4
133.10124	3.0
135.07994	2.0
135.11600	1.4
137.09604	14.0
137.13196	7.2
141.09099	9.1
142.07695	1.8
143.08585	1.5
147.04401	4.6
147.08070	1.8
147.11702	14.6
149.09575	12.7
151.07552	2.9
151.11169	7.2
156.09415	1.3
161.13269	3.7
163.11192	2.9
165.12756	8.8
175.03908	7.0
179.14243	2.0
183.13742	2.1
189.12738	9.6
192.04091	2.0
207.06467	8.9
207.13765	4.0
225.14844	11.3
229.37029	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13946	2.9
51.83609	2.8
55.03700	3.1
55.05507	4.7
65.41106	2.8
69.87234	5.6
75.04484	3.8
79.05509	5.7
81.07056	16.6
82.05315	8.1
83.06105	17.7
90.93922	2.8
91.05466	5.8
95.05012	3.0
95.34181	2.4
96.00598	33.5
100.11264	3.0
111.05558	100.0
116.62574	2.8
123.04386	6.7
126.01052	19.2
137.05960	15.3
139.03889	4.0
139.07430	3.2
150.03198	2.9
153.05440	32.9
154.06261	10.0
162.81915	3.4
165.01776	2.9
167.07021	45.8
167.08319	5.0
180.04195	4.8
182.05731	19.9
189.90138	2.9
209.12856	34.6
210.05244	19.5
212.06778	8.2
227.07765	57.6
227.13867	18.6
227.17628	3.1
236.59779	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	227.0914
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
54.13290	0.6
55.01870	0.8
55.05515	3.3
60.71109	0.6
65.03934	2.4
67.05507	1.6
69.03422	1.1
69.91766	1.9
75.04481	6.6
79.05496	4.6
81.07047	4.9
83.04971	0.9
83.08600	2.0
85.56017	0.7
89.06007	1.5
91.05478	10.1
93.07047	2.5
95.04957	2.8
100.11250	22.8
107.04950	3.6
109.06509	6.0
109.60784	0.6
111.04424	2.9
119.04958	2.2
121.06505	4.2
123.04426	15.0
124.05219	1.1
125.05981	1.9
135.04413	1.8
135.08067	0.6
137.05969	42.9
138.06326	1.2
139.03903	12.4
139.07530	8.8
141.05533	0.7
149.05969	2.3
151.03926	1.2
151.05042	1.7
151.07585	1.0
152.04668	3.5
153.05460	82.4
154.06244	17.4
155.07008	2.2
163.03905	1.2
165.01826	12.3
165.06618	4.1
167.07028	100.0
177.05447	2.1
180.04167	14.5
180.05649	1.2
187.06877	0.6
195.06526	2.3
209.08009	1.4
209.16463	3.7
212.06770	19.4
227.09125	45.2
227.17485	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
53.03929	0.6
65.03924	1.9
67.05499	1.2
69.03416	0.9
69.20436	1.7
69.20857	1.1
70.73109	0.5
75.04480	6.3
77.03922	1.0
79.05478	3.7
81.07047	3.6
83.04942	0.5
89.05997	1.2
91.05470	8.0
93.07025	1.5
95.04963	2.2
100.02341	0.5
103.05437	0.5
105.03389	0.5
107.04951	3.3
109.06510	6.4
111.04444	2.8
111.05090	0.5
114.83920	0.4
119.04973	2.2
121.06496	3.0
123.04424	13.8
124.05221	1.3
125.06023	2.3
129.62837	0.4
135.04382	1.8
135.08038	0.5
137.05969	38.3
138.06310	0.5
139.03888	11.8
139.07510	7.4
141.05409	0.6
149.05962	1.6
151.03915	1.0
151.05006	1.7
152.04630	3.2
153.05453	72.7
154.06235	17.8
155.06956	1.0
163.03922	2.0
165.01817	9.5
165.06587	3.6
167.07025	100.0
168.07341	1.2
171.97205	0.5
177.05476	2.8
180.04164	12.3
181.08638	0.8
195.06541	1.6
209.08118	2.5
212.05159	0.5
212.06767	23.0
227.09125	52.2
228.09529	1.0
230.21698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
62.03854	0.7
65.03915	1.6
67.05499	2.3
69.27770	3.9
75.04475	7.4
79.05491	4.3
81.07043	5.0
82.04227	0.8
83.08577	1.2
84.73470	0.8
89.06020	1.9
91.05466	11.6
93.07035	2.2
95.04951	3.3
99.08083	0.8
100.11249	3.4
105.06969	0.8
107.04961	4.1
109.06502	6.3
110.06075	1.0
111.04433	3.1
111.08105	0.8
119.04929	3.4
121.06474	4.1
123.04421	17.0
123.08135	1.0
124.05186	1.1
125.05956	2.0
135.04382	2.6
137.05966	47.2
139.03888	13.2
139.07535	9.2
147.04346	0.9
149.05951	3.3
151.04938	1.6
151.07477	1.0
152.04640	4.2
153.05455	86.9
154.06242	17.9
155.06976	1.4
163.03879	2.6
165.01828	12.8
165.06561	4.2
167.07025	100.0
168.07408	1.0
177.05411	2.3
180.04150	14.1
181.08588	0.9
195.06578	1.9
209.08035	2.1
212.06770	25.5
218.33939	0.7
226.81299	0.8
227.09114	53.5
228.23305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
51.63972	0.6
53.03938	0.6
55.01892	0.9
55.05519	1.8
57.07067	0.7
65.03924	1.4
67.05505	2.4
69.03419	0.9
69.07087	0.9
71.04996	1.2
71.41024	0.6
75.04473	6.7
76.44080	0.5
77.03931	0.8
79.05480	4.5
81.03410	0.6
81.07061	4.9
83.04996	1.9
83.08582	0.8
89.06039	1.6
91.05470	9.7
93.07045	2.1
94.04184	0.9
95.04968	2.5
95.08549	0.6
97.06557	0.9
99.04475	1.1
100.11261	2.7
104.68543	0.6
105.03383	1.2
107.04961	3.5
107.08611	0.8
109.06526	6.0
111.04424	1.5
117.06963	0.6
119.04937	2.5
121.06490	4.5
121.07620	0.5
123.04414	14.7
123.07971	0.6
125.06006	2.2
135.04399	1.3
135.08095	0.7
137.05965	39.9
138.06288	0.7
139.03896	13.0
139.04961	0.8
139.07521	8.7
149.05995	1.9
151.03896	0.9
151.05032	2.2
152.04660	2.9
153.05455	84.5
154.06235	18.6
155.07053	1.4
155.08307	0.6
163.03883	2.4
163.08684	0.7
165.01825	11.7
165.06615	4.0
167.07022	100.0
168.07387	1.5
171.11699	0.9
177.05501	2.7
180.04161	15.9
180.05635	1.2
181.08519	1.1
181.09962	0.8
195.06544	1.9
197.04543	1.0
203.09479	0.6
203.11417	0.6
209.08034	1.8
212.06769	21.3
227.09109	48.9
227.17755	1.8
228.09470	1.2
228.23161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
60.27287	0.6
65.03937	1.5
67.05493	1.1
67.27264	0.6
69.12644	4.4
75.04478	7.8
77.03920	1.1
79.05479	4.3
81.07037	3.2
83.04967	1.3
89.06016	1.8
91.05482	10.1
93.07052	1.5
95.04969	3.3
98.23506	1.4
105.03375	0.8
105.04497	0.8
107.04942	3.0
109.06512	6.7
109.52090	0.6
111.04421	2.5
111.08054	0.7
114.60372	0.6
119.04931	2.1
121.06492	2.8
123.04427	15.7
124.05182	1.3
125.05965	1.8
135.04402	1.1
135.08072	0.8
137.05965	42.0
138.06293	0.7
139.03893	13.3
139.07521	8.0
141.05412	0.8
149.05962	2.1
151.03902	1.0
151.05051	1.9
151.07504	1.3
152.04642	2.9
153.05457	79.2
154.06247	17.8
155.06976	1.5
163.03853	1.4
165.01807	11.6
165.06589	3.9
167.07025	100.0
168.07350	1.2
177.05457	2.4
179.32545	0.6
180.04158	15.5
181.08549	0.9
194.36240	0.6
195.06471	1.5
209.08012	1.8
212.04826	1.4
212.06770	23.2
227.09120	53.0
228.09468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1064
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
50.08138	0.1
55.05495	0.3
67.05491	0.2
67.42884	0.1
69.96804	0.4
72.08160	0.2
72.61216	0.1
79.05471	0.2
81.07043	0.3
83.08595	0.3
95.08575	0.2
97.10154	0.2
100.11233	0.6
115.05421	0.3
121.07538	0.2
128.06195	0.2
129.06975	0.3
141.06981	0.8
143.08586	0.2
146.22998	0.1
153.06973	0.4
154.07735	0.4
155.08508	1.2
156.09293	0.5
157.06482	0.2
165.06906	0.6
166.07806	0.7
167.08295	0.1
168.05696	0.2
169.06456	2.7
171.11649	0.2
174.06769	0.5
182.07130	0.2
183.08067	1.0
184.05191	1.4
184.08800	3.8
185.05957	0.3
185.08727	0.4
185.13292	0.1
193.06558	0.2
194.07237	1.4
195.07819	0.2
197.05954	5.0
199.03908	0.5
199.07460	0.3
206.76144	0.1
209.09261	0.2
209.16451	0.1
211.07510	16.8
212.08282	15.0
213.08646	0.3
225.09053	2.0
226.21477	0.6
227.10629	100.0
228.10965	3.0
228.23184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65387	0.1
55.05498	0.2
69.21534	0.7
81.07021	0.1
83.08614	0.2
84.78790	0.1
89.86501	0.1
95.08611	0.2
98.22698	0.3
100.11247	0.4
115.05420	0.2
128.06218	0.4
129.06978	0.3
137.72612	0.1
141.06995	0.6
153.06985	0.6
154.07710	0.3
155.08525	0.9
156.09315	0.5
157.06479	0.2
165.07010	0.7
166.07738	0.8
168.05771	0.2
169.06470	2.8
171.11653	0.1
174.06747	0.4
179.08476	0.1
181.06642	0.2
181.10068	0.2
183.08015	1.0
184.05170	1.4
184.08803	3.8
185.09251	0.2
193.06485	0.2
194.07256	1.2
195.07977	0.2
197.05956	4.6
199.03899	0.5
199.07501	0.3
199.11079	0.3
199.69647	0.1
211.07520	16.6
212.08293	13.8
213.08620	0.4
225.09114	2.3
227.10640	100.0
228.10988	2.8
228.23196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1066
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
55.05517	0.2
67.83712	0.2
69.07062	0.3
69.44839	1.1
69.45103	0.2
79.12495	0.2
88.37202	0.2
95.08601	0.4
98.23502	0.3
100.11224	1.0
107.04961	0.2
126.20989	0.2
129.07071	0.2
141.07010	0.8
152.31035	0.2
153.06989	0.5
155.08516	1.2
156.09293	0.7
165.07028	0.7
166.07761	0.9
169.06496	2.5
174.06674	0.5
183.08008	1.0
184.05211	1.7
184.08812	4.1
184.10324	0.4
193.06465	0.3
194.05960	0.2
194.07297	1.9
197.05959	4.2
199.03877	0.7
199.07472	0.2
211.07523	17.7
212.08296	13.6
214.07436	0.2
225.09108	2.2
227.10641	100.0
228.10979	2.6
228.23193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1065
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
55.05493	0.2
67.05497	0.2
69.41628	0.2
69.98309	0.3
79.99348	0.2
80.65714	0.1
81.07050	0.2
83.08607	0.1
83.14392	0.1
98.22615	0.1
100.11214	0.5
108.48090	0.2
128.06198	0.4
129.06970	0.2
139.85323	0.1
141.06993	0.9
152.06075	0.1
153.06973	0.5
154.07703	0.3
155.08537	1.0
156.09361	0.4
157.06516	0.3
165.06984	0.6
166.07784	0.8
169.06464	2.8
174.06711	0.3
182.07228	0.2
183.06470	0.2
183.08018	1.2
184.05225	1.9
184.08820	4.2
185.05965	0.3
194.07266	1.2
195.07722	0.2
197.05960	4.5
199.03946	0.5
211.07520	16.6
212.08295	15.0
212.11243	0.2
213.08586	0.4
225.09062	2.6
227.10640	100.0
228.10992	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.81776	1.8
52.08091	1.7
55.01857	4.3
55.05505	15.9
55.32700	1.8
57.03421	4.1
57.07071	6.4
59.20518	1.9
60.04527	2.6
65.03923	3.1
65.75605	2.0
67.05504	28.8
69.03411	7.6
69.07066	9.8
70.75249	3.2
71.04703	1.8
71.04993	21.2
72.04509	2.9
79.05484	29.5
81.03413	4.3
81.07056	11.0
81.07430	1.9
83.04974	11.7
83.08614	5.6
85.06536	100.0
86.09650	2.1
87.04443	2.3
91.05466	21.7
93.07037	35.7
95.04940	12.6
95.08596	11.4
97.06512	8.9
98.06041	2.7
99.04435	7.3
99.08066	10.3
100.11247	39.5
105.04490	3.0
105.07020	25.6
107.04957	11.1
107.08583	39.9
109.02867	4.8
109.06490	6.8
109.10120	2.3
111.04423	16.9
111.08057	4.0
113.05946	2.1
117.06995	6.8
119.08572	17.5
121.06496	18.6
121.10136	27.5
123.08064	9.5
123.11658	3.0
125.06015	9.1
125.06836	1.9
125.09660	2.5
126.01053	10.6
126.09184	2.0
127.11132	2.3
128.06279	2.1
129.06989	3.7
130.07765	2.5
131.04907	2.6
131.08553	57.8
133.06480	2.6
133.10107	6.3
135.11664	9.8
137.06004	4.5
137.09593	7.8
139.07550	3.7
142.12267	6.0
143.08569	3.1
143.11830	2.6
145.10129	28.9
147.08046	4.8
147.11670	3.7
149.05963	5.5
149.07085	2.8
149.09610	73.1
149.10818	3.7
149.13235	2.7
151.11142	2.9
153.05438	8.1
153.09067	2.1
155.07118	3.2
158.10861	4.3
159.14912	11.4
161.13333	2.1
163.07478	4.3
163.11165	22.2
163.14784	4.5
165.09094	10.8
167.07039	34.1
167.10672	35.1
168.13847	3.6
170.02788	2.1
173.09651	5.6
173.13217	14.6
177.05428	7.0
181.12067	2.5
185.12839	1.9
185.16461	8.5
191.10654	60.4
191.14282	5.8
192.09579	3.9
209.04034	13.8
209.11713	48.5
209.15059	2.6
227.05064	19.5
227.06990	3.9
227.10632	4.4
227.12633	16.4
227.17841	10.0
228.05312	7.3
228.23193	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01855	3.7
55.05502	3.6
57.03419	2.6
57.07066	7.2
62.27364	1.7
63.62543	1.8
65.03947	3.8
67.05499	28.9
69.03413	1.9
69.07059	4.4
70.59455	2.4
71.04987	19.3
79.05483	28.8
79.91586	1.5
81.03373	1.8
81.07031	8.5
83.04964	9.2
85.06536	100.0
91.05474	21.7
93.07039	23.9
95.04973	8.1
95.08645	2.9
97.06516	5.1
99.08086	3.1
105.07021	20.1
107.04940	12.5
107.08580	33.4
109.06505	5.6
111.04441	12.4
116.06236	1.9
117.07018	5.1
119.08559	18.1
121.06528	15.7
121.10139	17.6
125.05980	5.2
128.06213	2.4
129.06992	6.9
130.07785	3.2
131.08551	62.6
135.08076	2.5
135.11719	5.9
137.09616	7.3
145.10117	29.0
147.08035	5.7
149.05980	2.3
149.09610	63.2
153.05495	3.1
163.07520	3.6
163.11166	22.8
165.09125	11.2
167.10670	33.3
173.09621	8.6
179.10732	1.8
191.10638	55.3
209.11708	44.9
227.12737	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01870	2.6
55.05511	4.4
57.03441	2.8
57.07072	4.8
59.65347	1.3
64.96632	1.5
65.03940	1.8
67.05500	28.3
69.07061	4.9
69.34793	3.0
69.35165	7.6
71.04989	18.9
77.03934	1.5
79.05487	29.7
81.03398	2.1
81.07056	7.6
83.04973	8.5
85.02923	1.6
85.06539	100.0
91.05482	20.3
93.07047	23.0
94.81277	1.5
95.04961	8.5
95.08630	3.0
97.06537	5.7
99.08111	4.6
100.11248	7.9
101.20959	1.5
105.07011	19.7
107.04957	13.3
107.08591	26.7
109.06517	5.9
109.10151	1.5
111.04433	12.0
117.07031	6.2
117.76856	1.5
119.08569	20.3
121.06503	14.8
121.10139	20.7
123.04468	3.3
125.05982	10.0
126.01102	5.9
129.07024	4.6
131.08565	66.3
133.10120	2.4
135.08049	3.7
135.11720	5.6
137.05959	3.4
137.09598	8.2
139.07494	1.4
141.05576	1.6
145.06454	1.8
145.10106	27.9
147.08055	5.4
149.06030	3.7
149.09608	66.5
153.05476	6.4
155.08434	1.7
163.07480	2.0
163.11165	24.3
163.12419	1.7
165.09103	11.9
167.07050	30.7
167.10684	32.1
173.09653	7.1
177.05525	2.3
178.80695	1.7
179.10707	2.6
191.10657	53.1
197.11797	2.8
198.65691	1.6
209.11713	41.3
227.12759	16.1
227.17679	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
50.95832	2.9
53.03947	3.6
55.01856	6.9
55.05507	40.1
56.92281	2.7
57.03429	6.0
57.07073	7.6
67.05495	22.9
69.03419	16.1
69.07059	30.4
71.04987	10.8
74.90351	2.7
77.03897	4.0
79.05486	51.3
81.07048	24.3
83.04972	54.2
83.08637	6.4
85.02898	6.3
91.05470	22.1
93.07040	63.6
95.04968	21.9
95.08594	18.3
97.02885	35.0
97.06522	13.1
97.10168	8.4
99.04462	6.1
100.11256	9.7
102.14484	2.9
105.07017	28.4
107.04955	28.4
107.08585	41.0
109.06519	9.6
109.10171	9.0
111.04436	100.0
116.06278	3.0
117.07002	9.2
119.08593	14.4
121.06491	24.1
121.10133	65.1
123.08080	16.2
125.05986	11.3
125.09661	19.7
130.07736	3.2
131.08560	48.9
135.04401	4.9
135.08037	4.2
135.11679	13.5
137.06010	11.4
137.09628	8.9
139.03882	7.0
139.07536	6.0
139.11153	16.3
141.05490	3.4
145.10109	25.4
147.08035	5.4
149.09604	57.7
153.05473	17.6
153.09178	3.3
163.11172	37.3
165.09103	5.5
165.21124	2.9
165.99294	3.6
166.29378	3.1
167.07022	21.8
167.10661	53.8
169.08607	3.6
171.06412	3.6
181.12245	10.8
189.11169	5.4
191.10635	23.2
192.10860	3.2
195.02940	15.9
209.11700	71.6
227.09113	5.0
227.12766	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.64678	3.7
53.03956	3.5
55.01876	13.1
55.05498	23.9
60.97724	4.6
67.05495	25.8
69.07059	15.2
70.59517	6.0
71.04986	5.8
79.05490	54.1
81.03422	5.4
81.07053	37.8
83.04963	11.8
83.08628	15.7
87.79166	4.6
91.05486	11.8
93.07037	65.5
95.05001	11.7
95.08599	73.8
97.02873	3.9
97.06525	4.9
99.04459	6.1
100.11234	12.4
102.32610	3.9
105.07022	13.7
107.04950	12.8
107.08591	40.1
109.06563	7.5
111.04507	4.1
112.60305	3.7
117.07017	17.2
118.31458	4.0
119.08597	15.6
121.06496	13.2
121.10172	21.6
125.05965	9.3
133.10118	4.8
135.11674	80.8
137.05988	18.9
139.03879	5.1
139.07541	9.7
143.08574	4.6
145.10117	46.6
153.05450	29.3
154.06235	6.0
155.08574	4.9
157.10193	4.9
163.11172	97.3
164.11514	4.8
165.01837	4.1
166.07802	4.5
167.07034	61.2
181.12204	18.6
209.11626	5.3
212.06863	10.2
227.09055	24.3
227.10832	5.8
227.12663	100.0
227.17845	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	227.164
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.01867	1.9
55.05509	6.3
57.03426	5.2
57.07060	4.3
59.05009	5.5
61.93255	1.0
63.24546	1.0
67.05222	0.8
67.05506	9.0
69.03407	3.9
69.07059	12.7
70.77814	1.3
70.78133	1.2
71.04990	26.9
73.06551	1.3
75.04473	1.1
75.47966	0.9
77.03905	1.5
77.66058	0.9
79.05474	10.8
81.07052	16.9
81.13108	1.1
83.04971	5.7
83.08600	4.5
85.06538	20.1
85.07044	1.4
91.05466	8.7
93.07040	29.8
95.04961	100.0
95.08599	17.4
97.06529	17.3
97.10155	2.9
99.04446	11.4
99.08091	35.1
100.11245	1.3
105.07014	14.1
107.04918	1.7
107.08586	26.6
109.06511	20.2
109.10138	11.4
111.08093	7.1
113.05991	1.6
113.09650	2.0
113.58981	1.1
115.07566	7.4
117.06980	1.3
119.08566	11.0
121.06513	2.8
121.10135	23.1
123.08041	3.0
123.11693	5.2
125.05929	1.9
125.09633	9.4
127.07552	16.0
128.02699	1.0
129.07002	1.3
131.08572	13.6
133.10118	39.9
135.08072	5.4
135.11665	6.5
137.09558	5.1
139.11168	14.0
143.08571	1.6
143.10690	2.9
145.10129	7.0
147.07982	1.4
147.11684	10.5
149.09627	10.4
149.13254	8.9
151.11171	6.0
153.09093	26.6
154.09364	1.0
158.10916	2.0
163.11148	3.6
163.14833	5.3
165.09077	2.5
165.12721	2.6
167.10638	4.4
167.14348	1.5
171.10150	11.4
173.13260	14.5
191.10637	7.4
191.14301	12.6
209.11798	5.1
209.15343	12.9
227.05696	1.3
227.16389	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
54.53331	0.9
55.01861	4.8
55.05506	9.6
55.28202	1.0
57.03427	1.7
57.07057	2.9
67.05502	9.8
69.03405	1.7
69.07066	7.9
69.78275	2.4
69.78635	2.1
71.04969	4.7
72.04536	5.9
79.05494	7.9
80.05004	1.3
81.03411	4.1
81.07052	11.0
83.04956	4.7
83.08617	5.4
84.04509	6.6
85.03999	1.7
85.06557	5.3
90.03439	1.7
91.05470	6.4
93.07033	12.7
95.04957	4.0
95.08602	14.7
97.06495	4.5
97.10138	1.2
98.15637	1.2
99.04450	2.8
99.08076	4.3
100.10644	1.7
100.11250	21.6
101.06030	1.1
105.04532	1.5
105.07037	10.6
107.04951	1.6
107.07928	1.7
107.08591	18.2
109.06511	2.6
109.10152	8.1
111.08006	3.4
114.01064	1.1
115.05024	3.5
116.06154	0.9
117.06965	1.6
119.04906	1.0
119.06036	1.1
119.08558	7.7
121.06504	2.3
121.07610	1.4
121.10120	16.0
123.04360	1.1
123.08060	4.9
123.11681	4.7
125.09592	3.4
126.01058	49.6
127.01878	6.1
127.11203	5.2
128.00731	2.4
128.02655	9.8
128.10657	1.3
131.08537	7.2
132.24684	1.0
133.10121	13.3
135.08009	3.8
135.11679	9.0
137.05988	1.7
137.09647	5.0
137.13217	5.0
139.07526	1.6
139.11159	1.7
142.02512	1.1
143.01825	10.2
143.08543	2.2
144.02112	4.5
144.09355	1.0
145.10094	5.2
147.06596	2.7
147.07576	1.5
147.11667	3.3
148.06984	2.1
149.05853	1.1
149.09610	21.7
149.10765	1.1
149.13234	7.5
151.11134	3.8
153.02042	1.9
153.09062	2.8
154.12259	7.2
155.63315	1.0
156.10252	1.5
156.13780	1.4
158.10912	3.8
163.11171	3.1
163.14790	8.0
165.07007	1.6
165.12685	2.5
166.07761	2.0
167.03593	1.2
167.06996	6.6
167.10617	4.5
167.14230	1.2
168.01315	7.5
169.01714	1.2
170.01596	1.3
171.14896	11.1
172.07327	1.1
173.08179	3.6
173.13240	23.0
174.08560	5.3
182.02911	8.3
182.11789	1.6
183.02470	1.4
185.07191	1.3
189.07652	1.1
190.08302	1.9
191.09291	14.2
191.10765	1.9
191.14291	12.5
192.01352	2.4
192.09634	18.1
197.19366	1.0
200.55316	1.1
208.04616	3.0
209.04005	80.9
209.09583	2.4
209.11641	2.1
209.15128	6.6
210.02411	1.9
210.04268	9.4
210.06020	1.7
211.05519	1.6
212.08340	1.6
226.05730	5.7
227.05043	100.0
227.10730	5.3
227.17807	6.3
228.05336	40.8
228.23158	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.89506	0.4
53.03938	1.4
55.01880	0.5
55.05510	4.3
56.02650	1.4
57.07080	0.5
58.10617	0.4
60.58079	0.4
64.92951	0.4
65.03935	0.7
67.05496	22.7
69.07055	3.4
71.04985	100.0
72.05329	0.7
73.39408	0.4
79.05490	9.6
81.03341	0.4
81.07048	32.9
83.04976	1.2
83.08605	3.3
85.06534	2.8
91.05471	4.3
93.07037	14.8
95.04973	1.8
95.08596	18.7
97.06527	4.3
97.10165	1.7
99.04425	0.6
99.08053	1.0
100.11255	2.0
105.04484	0.4
105.07019	3.0
107.08576	5.7
109.06526	1.2
109.10148	3.2
111.08094	2.2
113.06015	1.0
117.07014	2.9
119.08579	1.3
120.38585	0.5
121.06512	0.7
121.10138	2.0
123.08068	0.5
125.09643	0.8
128.29427	0.4
131.08546	3.7
133.10114	3.9
135.08047	1.2
135.11681	8.3
135.12659	0.7
137.09564	0.7
147.11664	0.8
149.13245	5.6
159.11679	6.7
161.13243	0.5
175.14832	1.4
177.12741	2.8
193.16058	0.6
195.13814	1.4
204.73813	0.4
209.15421	1.6
227.08786	0.7
227.10767	0.6
228.23311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84603	0.3
56.96560	1.5
58.55341	0.3
58.99854	1.0
60.08154	0.4
64.55696	0.3
70.06589	1.8
70.99843	1.6
77.00910	1.0
82.99850	1.3
84.95996	0.3
89.00880	0.9
91.02464	0.4
95.20946	0.3
98.97570	2.8
101.00870	26.3
102.00964	0.6
105.00365	0.5
113.00873	0.5
115.02460	0.7
116.98614	2.4
118.03511	0.5
119.01910	100.0
120.01985	2.2
123.19416	0.3
126.98762	2.3
131.01921	1.1
133.03467	5.4
134.99625	0.8
137.02945	32.4
138.03047	0.9
142.03497	1.4
142.08685	1.6
143.01904	1.6
144.99817	10.6
145.03426	0.6
146.00018	0.4
149.02893	0.7
151.04494	1.6
159.01363	0.6
159.03159	0.4
160.04633	0.7
161.02930	3.3
163.00822	1.8
168.99818	8.7
170.00021	0.3
172.99306	2.2
173.02995	1.1
177.00919	0.8
177.02434	1.6
179.03966	0.6
184.04512	0.6
187.00871	23.7
187.02649	0.9
188.01027	0.4
191.00385	1.5
191.04048	0.7
196.99310	3.5
197.00963	0.7
202.05507	0.6
204.99989	0.5
205.01929	9.3
205.03706	0.6
210.02299	0.5
212.03952	0.3
215.00352	16.4
219.03548	0.4
228.23277	0.7
229.03461	0.8
229.06848	0.6
229.15443	4.9
233.01378	1.2
238.01807	0.3
247.01491	0.9
248.06320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98640	0.5
56.96560	16.3
57.97318	0.3
58.06592	0.5
60.08169	0.5
69.55271	0.6
70.06585	2.4
71.95258	1.7
74.97585	0.3
75.87724	0.3
84.05615	3.0
84.08141	0.9
85.95551	0.5
97.96817	0.3
98.23384	0.6
98.97572	100.0
99.97898	0.4
101.00859	2.5
114.05506	0.4
116.98608	70.5
117.99041	0.3
119.01904	5.7
127.01776	0.4
133.03494	0.7
134.99643	29.3
137.02934	1.2
140.00240	0.7
140.01289	0.8
140.99725	1.4
141.00775	0.3
142.08627	2.5
144.99783	0.6
145.02780	0.4
152.99678	2.6
153.00723	2.7
154.00465	2.2
155.00026	0.7
157.03574	0.3
158.01270	0.4
158.02444	0.5
158.04877	0.5
158.99597	0.4
159.00764	2.7
159.01939	0.5
160.06409	0.7
161.02928	0.4
168.99806	0.4
171.00764	7.1
172.01546	5.8
175.02637	0.8
175.04700	0.5
177.00673	0.5
182.02345	17.7
183.03140	9.1
185.99496	0.8
186.04433	0.3
187.00928	1.3
187.04657	0.7
188.05867	0.5
189.01842	1.4
189.04375	0.8
190.02554	0.8
196.87711	0.3
199.02568	0.6
200.03406	21.4
201.04205	8.4
204.05333	0.4
205.02304	2.2
205.05667	0.7
206.06944	1.0
207.05441	0.3
211.10701	0.3
215.00301	0.4
215.02103	3.6
217.03714	0.8
218.04425	2.0
219.05249	0.6
223.03380	0.4
224.07990	1.5
229.02309	1.7
229.15474	6.7
233.03224	0.8
247.01071	0.8
247.03497	11.8
248.08057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1221
Annotation	1,1-Bis(4-hydroxyphenyl)propane
Peak:m/z	Relative Intensity
67.05454	0.4
70.94443	0.4
70.94901	0.2
91.05431	0.4
105.07019	0.5
108.45284	0.3
128.06172	1.1
129.06958	1.3
130.07780	0.3
131.08604	0.7
141.06963	2.1
142.07759	7.7
143.08560	5.0
144.09178	0.3
145.10130	0.7
153.06955	2.8
154.07755	0.3
155.08522	3.3
156.09340	5.1
157.08868	0.4
157.10110	7.3
158.10834	1.1
159.08000	0.5
159.11639	0.4
165.06981	0.5
166.07692	0.9
167.08562	0.9
168.09328	8.6
169.06421	0.6
170.07222	1.1
171.08017	5.3
171.11665	4.2
173.09612	3.4
173.13205	1.0
178.07716	0.7
181.06432	2.3
181.10088	1.1
183.08025	1.4
183.11664	10.1
184.08818	2.9
185.09593	11.6
186.10371	13.7
187.10785	0.5
188.08238	0.9
193.10114	1.0
195.07983	0.7
196.08801	4.8
197.09477	0.4
199.07501	1.6
199.11147	15.1
200.11539	0.6
201.09111	6.4
201.12715	45.6
202.13026	1.3
211.09135	0.4
211.11154	8.0
213.09084	0.4
214.09891	4.3
228.23059	0.4
229.12212	100.0
230.12611	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	229.1222
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
55.05502	0.4
58.12209	0.3
58.54193	0.2
61.02942	0.3
67.05496	0.4
69.03411	0.7
70.91536	0.5
71.04941	0.4
79.05458	0.3
81.03403	2.0
81.07043	0.6
91.05470	1.0
93.07014	0.5
95.08634	0.3
99.04482	0.5
105.07000	1.0
107.08614	0.3
107.66264	0.3
109.02859	0.8
109.10165	0.5
111.74162	0.3
115.05446	0.6
117.07024	0.4
118.14377	0.3
119.08551	0.5
122.57766	0.3
127.03917	1.7
128.06212	1.7
129.07004	2.1
129.30971	0.3
131.08562	1.9
133.10129	0.5
141.06987	1.5
142.07767	4.2
143.08571	2.8
152.06166	0.6
153.06973	8.3
154.07762	1.4
155.08549	4.5
156.56842	0.3
157.10143	1.8
159.08080	1.7
165.06999	1.2
166.07727	1.2
167.08589	2.9
168.09328	8.7
169.06361	0.3
171.07977	0.5
173.09631	0.5
178.07799	0.8
181.06520	0.7
181.10098	0.6
183.08008	0.5
183.11678	6.3
184.08763	0.4
185.05876	0.3
185.09595	3.7
193.09981	0.5
196.08852	2.3
199.07486	0.4
199.11182	0.5
200.08295	0.4
201.09070	0.4
201.12701	0.9
211.09125	0.5
211.11157	8.8
214.09903	0.7
219.70132	0.3
229.12216	100.0
230.12564	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	229.1222
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
53.10788	0.8
57.07067	1.1
67.05501	4.0
69.07084	0.9
69.21791	1.6
69.22195	2.6
69.28023	0.7
81.07056	1.5
83.08622	0.7
90.55956	0.7
91.05489	1.5
93.07038	1.0
95.08599	1.3
105.06993	1.3
107.08514	0.8
109.10163	2.0
113.25466	0.7
119.08545	1.8
123.74861	0.8
128.06233	1.5
129.07008	1.8
131.08524	1.3
133.06479	1.1
134.63364	0.7
135.08029	2.1
141.06995	2.5
142.07741	8.7
143.08571	4.6
145.10144	3.4
153.06964	4.5
155.08536	5.3
156.09344	6.2
157.10103	9.6
158.07228	1.4
158.10953	2.2
159.08046	1.8
159.11658	1.8
166.07838	0.9
167.08714	0.7
168.09326	7.6
169.10089	1.3
170.07321	1.9
171.08057	6.5
171.11693	4.8
172.08774	0.8
173.09601	11.6
173.13202	1.5
174.10313	0.8
181.06497	1.8
181.10114	1.3
183.08124	1.4
183.11737	7.3
184.08833	2.7
185.09593	13.6
186.10368	15.9
187.11128	5.0
193.10083	1.6
195.07939	0.9
196.08777	5.4
199.11169	15.0
200.11633	0.9
201.09132	8.1
201.12720	46.7
202.09314	0.9
202.13100	1.1
211.11177	6.6
211.14891	1.3
214.09897	3.4
228.23276	2.0
228.26845	1.0
229.12238	100.0
229.15585	13.3
229.23405	1.5
230.12556	2.2
240.96654	0.9
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
52.85125	0.6
53.03946	0.6
54.05615	0.5
55.01880	0.8
55.05505	8.0
55.24200	0.5
57.03436	17.3
57.07064	1.9
59.04998	5.9
65.03934	1.6
67.05502	100.0
68.05841	1.1
69.07069	2.4
69.33359	1.2
69.33778	2.0
71.04988	4.2
79.05484	2.2
81.07051	12.2
83.05016	0.6
83.08607	6.1
85.06551	2.7
91.05477	5.0
93.07024	2.9
95.08606	4.4
103.03925	0.9
107.08582	2.1
109.10152	81.1
110.10490	1.5
111.08107	3.3
119.08584	4.3
137.09613	3.7
141.47774	0.5
145.06485	0.6
155.08614	1.0
155.10620	5.1
162.21989	0.5
173.11720	23.0
183.11655	0.9
211.11179	0.7
213.92328	0.6
228.23189	0.8
229.12146	5.1
229.14291	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	229.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
55.05499	1.0
59.34647	0.2
63.87780	0.1
67.05495	0.7
69.07053	0.3
71.09544	0.2
77.03905	0.1
79.05490	0.9
83.08600	0.4
91.05466	0.9
93.07034	0.6
95.04963	0.2
105.07008	0.4
107.04944	6.9
115.05407	0.4
117.07001	1.5
121.06503	2.1
128.06195	0.8
129.06998	0.8
131.04909	1.9
131.08549	1.1
132.05679	0.2
133.06473	5.8
134.06802	0.2
141.06982	3.5
144.05688	0.6
145.06467	31.2
146.07289	1.5
147.08043	0.7
149.09599	1.3
153.06953	0.4
154.07771	3.5
155.06044	1.2
155.08325	0.2
157.06488	1.4
157.10153	0.2
158.07243	2.7
159.08031	9.4
159.11682	0.3
160.08408	0.2
163.11160	0.3
167.08589	0.4
169.07623	0.5
169.10107	5.3
171.08057	0.7
172.08826	0.8
173.09602	2.2
174.10384	0.4
175.11176	0.4
185.09604	2.3
186.10378	4.1
187.11156	100.0
188.11549	2.2
197.10718	8.0
201.12688	1.0
228.23152	0.6
229.15846	51.8
230.16209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49648	0.9
55.05508	3.1
56.38719	0.8
57.03426	1.2
57.21715	1.0
60.05643	2.2
67.05478	4.6
69.03430	0.9
70.06572	2.8
71.08626	16.0
72.08150	41.9
73.04026	1.5
79.05476	1.6
81.03405	1.5
81.07062	2.0
91.05457	3.3
93.07018	1.2
97.07644	7.2
98.06028	2.4
99.08092	24.9
105.07015	2.4
109.10154	2.6
114.10284	39.7
114.11088	2.3
115.08685	10.1
115.51795	0.9
116.10725	5.0
119.08582	1.5
128.10730	5.2
129.07005	2.5
131.08583	1.7
133.10144	1.8
141.06990	2.0
142.07739	4.2
143.08559	2.1
145.10098	1.4
147.11710	1.1
153.05898	1.0
153.06964	6.8
154.07790	1.6
155.08525	4.1
157.10197	1.2
159.08064	1.4
167.08545	2.8
168.09358	7.0
169.16994	27.3
170.15390	68.8
172.08832	1.4
173.09422	1.0
175.07399	1.2
181.06522	1.4
183.11690	5.1
185.09633	2.7
187.18036	3.5
196.08818	2.9
199.07472	1.2
200.08234	1.5
201.12773	1.5
211.11229	8.1
212.17566	38.1
212.19626	1.8
214.09862	1.7
228.86969	1.1
229.12222	100.0
229.20215	99.0
230.12572	2.5
230.20509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98646	0.5
56.96563	32.6
66.53803	0.2
69.91474	0.4
69.91811	0.5
71.95265	1.0
72.08171	0.3
72.96049	0.9
74.97622	0.7
83.97631	0.6
84.96038	0.5
86.09702	3.3
97.63075	0.3
97.99174	0.3
98.97578	100.0
99.97921	0.4
102.00953	0.4
110.97564	0.4
111.71381	0.3
116.00211	2.0
116.98616	62.6
119.01896	0.5
119.51006	0.3
120.02021	1.2
124.00690	0.3
126.02289	0.9
128.98601	0.3
134.01225	1.6
134.99652	20.9
140.00185	0.7
140.03783	2.2
142.01791	0.3
142.05397	2.9
144.03320	0.4
145.01646	0.3
146.99693	0.4
149.81895	0.3
153.00710	1.9
158.01308	0.5
158.04878	3.3
160.06447	5.2
161.04913	0.3
170.04881	1.3
171.03275	1.5
176.05952	0.9
177.04616	0.3
178.07509	1.1
188.00999	0.3
188.05913	2.8
189.00821	0.3
189.04349	8.0
202.07500	0.6
206.06981	6.4
207.05394	3.9
212.05902	0.9
213.04190	0.4
216.00453	0.4
220.08652	0.3
224.08041	7.2
225.08429	0.3
229.15421	0.4
230.06981	9.5
231.05455	1.5
242.08966	0.3
248.08044	15.7
248.99113	0.3
249.06413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
63.60116	0.2
76.67393	0.2
77.03924	0.4
79.90990	0.2
91.05472	2.7
95.04947	0.7
101.03897	0.4
102.04681	0.3
103.05460	8.7
104.05820	0.2
105.04467	0.2
115.05458	0.3
119.04943	1.6
129.03386	2.4
129.04366	0.3
131.04910	0.9
133.02773	0.2
143.04878	0.3
147.04399	14.1
148.04765	0.4
157.02820	2.4
157.03987	1.1
159.04390	0.4
162.03026	0.4
175.03893	41.0
176.04271	0.9
185.02309	0.7
187.03868	0.7
193.04938	0.3
203.03372	6.0
213.01772	0.7
229.36305	0.2
231.02866	100.0
232.03146	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.3
69.03416	0.5
70.69939	0.5
77.03915	0.5
86.27011	0.2
88.27134	0.2
91.05467	2.9
91.91821	0.3
95.04954	1.0
103.05460	9.6
105.03351	0.3
111.04412	0.6
115.05458	0.4
119.04933	2.1
126.87299	0.3
129.03368	2.5
129.06999	0.4
130.34222	0.3
131.04880	2.0
147.04391	14.0
157.02823	2.0
157.03984	0.7
157.06456	0.7
159.04382	0.6
162.03108	0.6
175.03893	41.1
175.07260	1.7
176.04221	0.9
185.02309	1.4
187.03894	3.3
193.04988	0.5
203.03378	6.0
213.01764	0.3
213.12605	0.3
231.02866	100.0
231.13777	2.0
232.03168	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.0
55.01855	3.4
57.03431	2.0
57.69526	1.2
61.02889	1.3
68.99799	2.7
69.03424	100.0
71.04981	3.3
74.06084	1.8
81.03410	50.3
81.07039	1.7
83.01308	1.5
85.02401	2.2
85.02898	34.4
85.06559	1.3
87.00821	19.6
88.07607	5.2
91.05492	2.8
97.02884	48.5
99.04457	14.9
103.05442	2.8
105.01847	4.2
105.07010	3.9
109.02872	18.3
111.04411	1.2
115.05491	1.9
119.08556	2.4
127.03905	24.5
133.10117	3.1
142.07811	1.3
143.08540	3.1
145.04977	2.8
145.10052	2.5
147.04413	5.1
151.20717	1.4
157.06398	1.5
157.10159	1.6
171.11615	1.4
175.03908	7.1
175.06264	1.3
175.07524	5.7
185.13271	2.8
186.18524	2.0
203.03448	1.8
203.14638	1.3
207.24423	1.3
213.03923	1.9
230.78601	1.4
231.02849	18.4
231.04982	5.0
231.13663	8.8
231.17294	2.1
232.19075	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	231.1016
Annotation	Hibiscoquinone C
Peak:m/z	Relative Intensity
53.03937	5.3
53.43658	1.2
55.01853	4.4
55.05495	5.9
57.03418	5.5
65.03924	1.8
65.27528	1.5
67.05490	5.6
68.99786	3.3
69.03427	49.0
69.07063	3.5
70.06563	1.3
70.68001	1.5
71.04975	5.3
73.89819	1.3
79.05492	6.7
80.86146	1.7
81.03408	22.8
81.07058	6.9
83.04958	4.1
85.02895	24.2
87.00834	9.6
91.05476	9.2
93.07056	9.3
95.04963	6.9
95.08567	4.3
97.02888	18.3
98.23328	1.3
98.98471	1.3
99.04447	6.3
102.61325	1.3
103.05459	2.6
105.01834	1.2
105.07024	14.9
107.08588	6.6
109.02867	11.3
109.06509	3.8
109.10119	2.3
111.04452	2.3
115.05434	5.5
117.07037	8.1
119.08577	10.0
121.06498	3.1
123.04394	4.9
123.08114	2.0
127.03894	12.0
128.06192	15.4
129.07001	45.6
130.07741	1.7
131.04945	1.6
131.08562	9.0
133.06480	4.1
133.10098	6.3
135.08032	4.1
137.05956	1.7
141.06976	8.3
142.07784	23.8
143.04803	1.7
143.08551	20.9
145.06450	5.5
145.10109	14.3
147.04396	4.0
147.08003	5.6
147.11636	2.4
149.09634	1.5
152.06207	10.1
155.08537	5.8
156.05708	1.7
156.09334	4.5
157.06509	14.1
157.10117	82.1
158.10478	1.6
159.08023	5.5
159.11690	5.6
161.05972	16.9
161.09615	4.8
161.13351	1.7
163.07564	1.4
165.06978	8.4
166.07817	2.0
167.08548	38.2
168.08984	1.3
169.06482	4.6
169.10115	2.1
170.07240	5.6
170.10956	2.8
171.08037	8.2
171.11609	6.7
172.08829	1.3
173.05986	7.2
173.09654	10.0
174.06740	1.7
175.03926	2.8
175.07535	17.3
175.11180	2.5
180.09338	2.3
183.08054	3.1
184.05173	5.3
185.06004	7.9
185.09605	66.8
185.13214	14.7
186.09958	1.7
187.07436	6.3
187.11137	3.9
188.08299	5.2
189.05394	2.4
189.09074	7.6
189.12791	4.0
195.08038	68.1
195.11684	5.4
198.06677	4.7
198.10406	2.9
202.06190	3.5
203.06966	2.0
203.10640	15.2
203.14220	6.5
213.09091	85.1
213.12494	16.8
213.16188	1.7
213.45462	1.4
214.09431	3.1
216.11514	3.4
231.02939	8.3
231.10233	34.8
231.13771	100.0
232.10559	1.4
232.13986	1.7
232.22621	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70248	0.1
69.21651	0.8
69.33531	0.2
83.77081	0.1
85.77301	0.1
98.23534	0.2
100.18784	0.1
111.54517	0.1
202.07736	0.4
203.08629	0.2
208.17508	0.1
215.06396	0.3
215.08540	9.6
216.09315	100.0
216.43642	0.1
217.09642	3.2
229.10086	0.3
230.10837	0.6
231.11659	61.7
232.11975	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03925	1.9
55.01856	1.8
55.05489	1.5
57.03415	1.4
67.05487	1.4
69.03072	1.1
69.03421	16.5
69.07051	1.9
69.31419	2.7
71.04978	1.8
79.05472	3.1
81.03407	9.9
81.07037	4.4
83.01315	0.9
83.04984	1.1
85.02887	6.4
85.06537	0.9
87.00793	2.6
91.05465	6.9
93.07030	3.8
95.04962	5.2
95.08582	1.1
97.02888	7.5
99.04454	3.5
105.07010	11.9
107.04904	0.7
107.08575	2.8
109.02891	3.9
109.06494	1.9
115.05419	2.2
117.07024	5.8
119.08573	8.1
121.06485	1.9
123.08054	1.3
127.03889	5.9
128.06200	6.0
129.06987	13.3
130.07770	1.8
131.08537	5.9
133.06467	2.8
133.10091	4.5
135.08000	1.3
137.05956	1.0
141.06985	1.9
142.07744	5.5
143.08551	16.3
144.09258	0.8
145.05237	1.0
145.06462	13.6
145.10092	12.0
147.08026	7.1
147.11662	1.4
149.09598	1.5
153.06949	0.8
155.08557	5.1
156.09370	3.2
157.05171	0.8
157.06470	13.7
157.10124	12.3
158.07256	1.7
159.07997	2.3
159.11681	5.0
160.05154	1.1
161.05954	1.5
161.09612	4.7
161.13289	2.4
165.06989	3.1
167.08478	0.9
169.10129	1.6
170.10828	2.1
171.08020	4.5
171.11658	4.5
172.08780	1.3
173.09599	12.7
175.07524	58.4
175.11078	1.9
175.14801	1.5
176.07942	1.0
180.09242	3.3
180.49327	0.8
183.08078	0.9
183.11652	0.9
184.08797	1.7
185.09563	3.0
185.13234	12.8
187.11125	2.8
189.09097	2.2
189.12682	2.2
195.11668	5.2
198.10367	3.0
201.12701	5.2
203.10622	0.9
203.14307	3.7
213.09221	0.9
213.12712	20.5
213.14648	1.4
214.12924	0.9
216.11333	1.0
231.02979	1.3
231.04895	1.5
231.13768	100.0
232.14113	2.1
253.66791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	Secoeurabicol
Peak:m/z	Relative Intensity
53.03939	0.4
55.01874	0.3
55.05505	0.5
67.05492	0.4
69.03423	4.4
69.07063	1.1
69.17328	1.2
70.06616	0.3
74.75421	0.2
79.05473	0.5
81.03412	2.5
81.07040	0.3
85.02891	2.0
85.66710	0.2
87.00803	0.7
88.07626	0.3
91.05482	2.0
93.07015	0.6
95.04946	0.5
95.35391	0.3
97.02891	1.7
98.23427	0.6
99.04435	0.8
105.07009	1.3
107.04924	0.5
107.08586	0.3
109.02905	0.7
111.04449	0.3
115.05434	0.3
117.06999	1.1
119.08573	3.0
121.06462	0.5
122.60237	0.2
123.08147	0.2
127.03915	1.1
128.06212	2.5
129.06995	11.1
131.08568	0.7
132.05779	0.4
133.10104	0.4
141.06966	0.4
142.07768	1.0
143.08566	3.5
144.09129	0.2
145.06491	1.6
145.10118	0.9
147.04427	0.5
147.08028	4.0
155.06075	0.3
155.08513	0.3
156.09279	0.3
157.06477	20.1
157.10086	2.4
158.06955	0.7
159.08061	0.9
159.11597	0.3
160.05226	0.4
161.05948	0.5
165.06978	0.6
169.06482	0.5
170.10924	0.7
171.08038	3.9
171.11670	0.4
172.08853	0.5
173.09578	0.3
175.07529	83.8
176.07867	1.6
180.09308	0.3
183.08020	0.9
184.08853	1.5
185.09596	2.1
185.13214	3.5
187.11176	0.4
189.09071	1.4
189.12706	0.3
195.11697	0.3
198.10385	2.9
201.09105	0.5
203.14331	0.3
213.09200	0.7
213.12726	13.1
214.13130	0.4
216.11447	0.5
231.02914	0.6
231.13779	100.0
232.14140	2.5
232.22694	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Secoeurabicol
Peak:m/z	Relative Intensity
50.56718	0.2
53.03930	0.3
55.01862	0.3
55.05482	0.3
66.68806	0.2
69.03424	1.5
69.07063	1.0
70.68040	0.3
77.03953	0.2
79.05479	0.3
81.03400	0.7
83.04987	0.2
85.02884	0.6
87.00838	0.2
91.05470	2.6
93.07014	0.7
97.02896	0.4
103.05462	0.3
105.07027	0.9
115.05414	0.2
117.07005	0.9
119.04963	0.2
119.08568	3.0
121.06449	0.2
127.03892	0.4
127.24923	0.2
128.06204	1.8
129.06985	9.6
130.07294	0.3
131.08539	0.4
132.05731	0.3
133.06483	0.5
135.04413	0.2
140.54678	0.2
141.06946	0.2
142.07788	0.4
143.08563	2.9
145.06436	1.2
145.10059	0.2
147.08028	4.1
155.05965	0.2
155.08539	0.3
156.09367	0.2
157.06470	18.6
157.09999	1.1
158.07056	0.2
159.08069	0.9
160.05162	0.5
161.06038	0.4
165.07008	0.2
167.08496	0.2
169.06516	0.3
170.10901	0.3
171.08032	3.7
171.11641	0.2
172.08745	0.3
175.07521	94.4
176.07874	1.4
178.20184	0.2
180.09271	0.2
183.08090	1.3
184.08846	1.6
185.09610	1.4
185.13222	3.1
189.09094	1.4
195.11790	0.4
195.13861	0.2
198.10362	2.4
201.09053	0.6
201.12723	0.3
202.09981	0.2
204.31306	0.2
213.12715	14.0
214.13052	0.3
216.11427	0.5
231.13768	100.0
232.14113	2.4
235.05975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03936	1.2
55.01860	1.4
55.05505	3.2
57.03430	1.3
65.03938	1.1
67.05498	3.8
69.03424	7.4
69.07061	3.4
69.14381	1.1
69.14787	2.8
69.42365	0.6
71.04993	4.3
77.03918	0.8
79.05489	8.7
81.03403	2.4
81.07048	11.5
83.04970	3.0
85.02893	2.5
85.06522	4.8
89.16423	0.7
91.04937	1.3
91.05471	18.2
93.07025	8.9
95.04956	10.3
95.08604	3.8
97.02946	1.6
97.06522	4.1
98.23450	1.1
99.04427	1.8
103.05462	1.6
105.04539	0.9
105.07019	31.4
107.04937	2.0
107.08575	7.4
109.02821	0.8
109.06512	4.7
111.04446	1.0
115.05467	4.0
117.06275	1.1
117.07014	11.0
119.08565	17.4
121.06525	4.0
121.10125	1.9
123.08057	1.8
127.03884	1.4
128.06204	14.3
129.06998	16.5
130.07787	6.5
131.04866	1.0
131.08548	18.0
133.06473	3.7
133.10121	11.5
135.08035	3.2
137.05946	1.5
141.06975	6.2
142.07773	13.6
143.08548	44.6
144.09348	4.2
145.06480	5.8
145.10107	40.9
147.08028	11.7
147.11641	4.0
148.08766	0.9
149.09602	2.7
153.06978	3.7
154.07701	3.1
155.06033	1.2
155.08537	14.9
156.09331	9.5
157.06506	1.1
157.10112	33.5
158.07251	2.1
158.10834	0.9
159.08067	3.9
159.11678	19.3
161.09605	11.9
161.13228	6.1
163.07529	1.2
165.06992	10.3
167.08540	2.6
168.09332	0.8
169.10097	7.0
170.10898	7.6
171.08032	8.4
171.11650	12.8
172.08850	1.5
173.09599	25.2
173.13383	0.9
174.12811	0.8
175.07568	2.8
175.11153	5.2
175.14783	3.1
179.08549	2.1
180.09341	9.6
183.08028	1.7
183.11684	2.7
184.08783	1.2
184.12479	1.6
185.09601	2.6
185.13237	35.1
185.85454	0.6
186.13699	0.7
187.11183	5.0
188.11957	0.8
189.09116	1.8
189.12744	4.6
193.48489	0.7
195.09996	1.2
195.11685	18.6
197.09660	0.7
198.10367	2.9
200.64095	0.7
201.12677	1.2
203.14305	8.5
213.10646	1.4
213.12724	30.1
231.13776	100.0
232.14156	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03957	2.0
55.01873	1.4
55.05502	6.6
57.03412	2.5
65.03952	1.5
67.05494	3.7
69.03406	3.4
69.07081	1.3
70.22330	2.7
71.04972	4.9
79.05479	8.6
80.66676	1.5
81.07044	13.0
83.04978	2.6
85.02825	1.5
90.18272	1.4
91.05474	20.7
93.07039	14.8
95.04976	10.2
95.08575	4.9
97.06509	2.1
103.05403	1.4
103.69025	1.3
105.06348	2.2
105.07021	33.2
107.04937	2.1
107.08572	7.7
109.02853	1.5
109.06507	6.3
115.05437	5.0
117.07016	19.7
119.08571	16.7
121.06490	5.5
121.10178	2.1
123.08023	1.5
128.06186	14.9
129.06990	28.3
130.07777	8.8
131.08565	26.6
133.06502	5.3
133.10138	12.5
135.08009	2.0
141.06966	9.7
142.07791	13.7
143.07425	2.4
143.08546	49.9
144.09328	2.2
145.06453	9.8
145.10104	54.2
147.08012	10.5
147.11682	3.8
149.09532	2.2
151.07500	1.5
153.06938	2.6
154.07768	4.5
155.08539	17.8
156.09355	10.6
157.06564	1.7
157.10115	32.1
158.07227	3.3
158.10832	3.0
159.08055	6.8
159.11691	10.7
161.09578	12.3
161.13292	3.2
165.06985	9.7
167.08536	4.8
168.09381	2.2
169.10129	6.0
170.10890	4.1
171.08041	7.6
171.11674	18.3
172.08812	3.8
173.09605	48.3
174.10306	1.7
175.07541	2.0
175.11174	4.6
175.14787	3.9
179.08556	1.6
180.09290	10.6
183.08060	2.4
183.11661	4.0
185.09630	4.4
185.13228	41.1
187.11214	9.4
189.05368	2.2
189.09085	4.6
189.12727	8.6
195.11678	22.1
198.10390	2.8
198.29233	1.6
201.12718	2.4
203.10742	1.9
203.14293	12.9
213.12727	41.7
214.12889	1.7
230.24774	2.9
231.02838	3.4
231.10086	3.2
231.13780	100.0
232.14099	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	231.1379
Annotation	Volvatellin
Peak:m/z	Relative Intensity
55.05494	2.9
55.42700	0.7
57.03434	1.0
59.04976	1.1
65.03928	0.9
67.05502	4.2
69.03411	2.1
69.07049	1.4
69.68207	1.7
69.68553	1.9
70.58009	0.9
71.04980	3.1
77.03938	1.2
79.05486	6.1
80.57410	0.8
81.07045	10.5
82.68840	0.7
83.04947	2.2
85.06544	6.7
91.05470	13.6
93.07043	7.9
95.04951	9.9
95.08599	2.7
97.06536	1.7
98.22725	1.1
99.04456	1.0
103.05461	1.0
105.07022	24.8
107.04941	1.1
107.08586	5.1
109.06522	5.4
115.05463	4.9
116.06247	1.1
117.07008	14.9
119.04862	0.9
119.05975	0.8
119.08569	15.3
121.06490	3.7
121.10151	1.3
123.08046	2.2
128.06209	12.5
129.06998	16.8
129.55968	0.7
130.07803	7.0
131.08559	17.5
133.06467	5.0
133.10109	8.7
135.08028	5.0
141.06917	5.0
142.07776	11.9
143.08548	33.9
144.09241	2.7
145.06474	9.1
145.10114	31.9
147.08046	9.9
147.11685	3.8
149.09607	3.1
151.07524	1.1
153.06938	2.4
154.07690	1.6
155.05928	1.5
155.08531	11.9
156.09335	6.8
157.10115	25.4
158.07222	5.2
158.10948	1.5
159.08049	7.5
159.11671	10.0
160.08774	1.2
161.09616	9.7
161.13232	3.2
165.06973	7.8
167.08531	3.4
169.10104	5.1
170.10902	6.7
171.08041	7.1
171.11673	11.2
172.08791	2.4
173.09602	40.5
174.10118	2.0
175.07504	1.8
175.11104	4.4
175.14801	3.2
179.08572	1.7
180.09290	5.7
183.08159	1.7
183.11644	1.5
184.08797	1.3
185.09615	3.4
185.13232	26.9
185.47086	0.8
187.11182	6.0
189.09142	1.6
189.12724	3.5
195.11658	13.1
197.09608	1.1
198.10358	4.3
203.14294	7.0
213.12720	29.9
231.13779	100.0
232.14085	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	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
55.05502	3.3
56.87818	1.5
57.03407	2.0
59.20209	1.2
63.58648	1.3
64.31612	1.5
64.35741	1.2
67.05510	1.7
68.08429	1.2
69.11195	8.3
69.11586	3.2
71.04983	4.1
72.01817	1.4
74.19985	1.3
79.05482	6.2
81.07056	10.9
83.04950	2.4
85.06545	2.9
86.95962	1.3
91.05479	14.0
93.07021	5.3
95.04982	7.9
95.08591	3.5
97.06510	1.5
98.23449	2.4
100.72679	1.3
105.07021	23.9
105.07729	1.8
107.08591	5.4
109.06498	5.2
115.05457	3.5
117.07020	11.8
119.08549	13.9
121.06487	4.2
123.08117	1.5
128.06227	8.7
128.46094	1.3
129.06995	15.0
130.07774	6.0
131.08569	15.7
133.06493	5.1
133.10101	10.1
135.08081	3.6
141.06952	3.2
142.07748	8.4
143.08553	34.9
144.09326	1.9
145.06468	6.8
145.10130	28.2
147.08046	10.7
147.11638	4.4
149.09604	1.8
154.07780	2.1
155.08525	10.3
156.09344	6.9
157.06502	2.3
157.10126	21.2
158.07324	3.6
159.08032	6.1
159.11661	14.1
161.09575	9.7
161.13235	4.6
165.06982	5.7
166.07391	1.7
167.08508	1.6
169.10118	4.8
170.10841	3.9
171.08023	6.7
171.11705	10.7
172.08856	2.1
173.09604	27.5
175.11192	4.3
175.14911	2.5
180.09332	5.3
183.07961	1.4
183.11681	2.6
185.09618	4.3
185.13220	31.2
187.11198	4.0
189.09166	1.8
189.12764	5.2
195.11659	13.5
198.10396	3.6
201.12804	1.5
203.14259	7.5
213.12730	26.7
231.13788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
55.01881	0.8
55.05502	3.2
57.03444	1.3
60.78023	0.7
67.05498	3.8
69.03419	2.7
69.07053	1.5
70.02782	1.7
71.04977	3.0
71.05923	0.7
79.05484	7.3
81.07043	8.5
83.04963	2.7
85.06534	4.7
91.05462	16.3
93.07027	9.3
95.04943	10.0
95.08601	4.2
97.06513	1.0
99.04419	1.0
103.05469	1.4
105.07018	27.2
107.04934	1.5
107.08594	6.0
109.06496	4.6
110.70493	0.8
115.05447	4.3
116.06197	1.3
117.06185	0.9
117.07003	13.3
119.04920	0.8
119.08563	14.4
121.06503	2.8
121.10094	1.8
123.08047	1.5
128.06213	10.7
129.06990	16.9
130.07774	6.7
131.08551	16.3
132.05678	0.7
133.06458	5.4
133.10126	8.1
133.60983	0.7
135.08031	2.6
137.05984	1.1
138.08629	0.7
141.06932	5.0
142.07767	10.4
143.08540	37.7
144.09296	3.4
144.13493	0.8
145.06473	6.9
145.10101	29.5
147.08022	10.2
147.11656	3.1
148.08838	1.6
149.09613	1.8
151.07491	1.6
153.06963	2.1
154.07745	2.5
155.05927	0.9
155.08530	10.3
156.09305	6.4
157.06453	1.3
157.10106	25.7
158.07249	2.0
158.10786	1.2
159.08052	6.3
159.11671	12.2
160.08768	1.0
161.09604	10.4
161.13268	4.5
165.06981	7.0
166.07716	0.7
167.08507	2.1
169.10072	5.6
170.10892	5.1
171.08035	7.4
171.11662	10.0
172.08850	2.3
173.09598	32.5
174.10315	1.5
175.07603	0.9
175.11159	5.8
175.14767	2.3
179.08667	0.8
180.09317	5.7
183.08058	1.8
183.11665	2.4
184.08833	1.2
185.09636	1.6
185.13245	27.3
187.11157	5.4
188.11890	1.2
189.09062	2.5
189.12746	4.9
195.11647	13.0
198.10400	2.9
201.12727	1.1
203.14310	10.3
213.12727	24.9
214.13109	0.8
231.13770	100.0
232.14047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
55.05493	3.2
55.80589	1.1
57.03420	1.9
67.05493	4.2
69.03422	2.4
69.07045	1.6
71.04971	4.3
79.05481	5.9
81.07053	8.7
83.04941	1.9
85.06525	4.4
91.05476	12.4
93.07043	9.1
95.04957	10.2
95.08576	4.3
103.05451	1.5
105.03382	1.2
105.07024	25.5
107.04922	1.4
107.08584	4.2
107.97044	1.1
109.06524	1.8
111.04481	1.2
115.05433	2.8
115.33603	1.5
116.06269	2.0
117.07014	12.4
119.08561	13.2
121.06501	3.6
127.73228	1.1
127.85703	1.1
128.06195	10.4
129.06998	17.8
130.07715	3.5
131.08560	16.1
133.06477	5.6
133.10120	11.4
134.62340	1.1
135.08028	3.7
137.05899	1.5
141.06950	5.2
142.07768	9.9
143.08548	32.9
144.09282	2.4
145.06467	4.7
145.10107	30.5
146.07210	1.4
147.08029	10.9
147.11649	4.2
149.09583	1.4
151.07410	1.3
153.06943	3.0
154.07715	2.6
155.08527	9.6
156.09288	6.9
157.06458	1.8
157.10098	28.0
158.07269	3.9
158.10858	1.2
159.08005	7.4
159.11659	13.8
161.09639	9.9
161.13234	4.2
165.07008	6.3
167.08553	1.8
169.10088	4.9
170.10899	6.1
171.08041	8.3
171.11674	11.9
172.08771	3.2
173.09598	26.6
174.10043	1.3
175.07497	3.5
175.11154	5.0
175.14825	2.5
180.09314	4.5
185.09618	1.8
185.13243	28.0
187.11160	6.5
189.09030	2.7
189.12704	5.0
195.11673	14.2
198.10397	4.0
201.12730	2.1
203.14273	8.9
212.28513	1.3
213.12729	20.9
231.13773	100.0
232.14079	2.3
254.62727	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1377
Annotation	Volvatellin
Peak:m/z	Relative Intensity
52.79524	1.0
55.01858	2.1
55.05490	3.7
57.03430	2.2
57.07067	17.3
58.06570	1.6
58.07388	1.0
58.68837	0.9
62.06084	11.0
63.02368	0.9
67.05482	4.1
69.03419	3.8
69.07039	2.6
69.44972	2.3
69.45380	2.8
71.04975	4.0
71.08596	5.9
72.08936	0.9
79.05483	7.0
81.07042	11.7
83.04964	2.5
85.02870	1.5
85.06495	2.4
85.10181	2.5
87.90140	1.0
90.46896	1.2
91.05466	17.6
91.34225	1.1
93.07027	8.3
95.04935	8.7
95.08595	4.6
97.06486	1.5
103.05462	1.3
105.04506	1.4
105.06352	1.6
105.07020	26.3
105.07729	1.3
107.04939	2.2
107.08592	6.2
109.06490	5.2
113.04529	1.2
115.05440	4.9
116.57198	0.9
117.07005	10.4
117.30991	1.1
119.04949	1.1
119.08560	15.4
120.01505	1.1
121.06475	3.9
121.10161	2.0
123.08038	3.2
124.68877	1.1
125.05995	1.1
125.56819	0.9
128.06184	11.7
129.06990	17.1
130.07787	6.1
131.04918	1.0
131.08548	18.5
133.06503	4.9
133.10123	9.5
135.08051	2.6
139.07507	1.3
141.06943	7.0
142.07748	11.5
143.08548	34.9
144.09277	3.4
145.06456	4.7
145.10109	31.1
147.08035	9.8
147.11627	3.2
149.09589	2.8
153.06941	2.5
154.07736	2.3
155.08531	10.6
156.09349	9.4
157.06502	1.4
157.10106	30.6
158.07245	3.4
158.10826	1.4
159.08067	5.9
159.11679	12.2
161.09605	10.3
161.13217	3.5
163.07504	1.0
165.06993	7.1
167.08620	1.7
169.10115	4.9
170.10939	6.6
171.08055	5.2
171.11679	11.8
172.08833	2.4
173.09596	29.5
173.13190	1.2
175.07498	1.8
175.11122	5.0
175.14775	1.4
180.09309	6.3
183.08078	1.8
183.11543	2.3
185.09601	2.0
185.13237	29.4
187.11121	5.0
188.11847	1.2
189.09079	2.2
189.12740	4.4
195.11641	12.1
198.10405	2.7
203.14314	8.8
212.23749	4.7
213.12706	21.2
213.22115	1.0
213.24052	2.8
230.24765	66.3
231.13771	100.0
231.25098	35.7
232.14142	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
55.01887	1.1
55.05497	3.6
57.07067	14.2
57.38658	1.1
58.06574	2.3
62.06088	7.1
67.05488	3.3
69.03429	2.6
69.07066	1.3
69.96043	2.9
71.04976	3.5
71.08620	6.7
73.18427	1.1
79.05471	6.2
81.07056	9.6
83.04960	2.2
83.76474	1.1
85.02885	1.3
85.06561	3.0
85.10180	1.8
91.05469	12.6
93.07048	9.7
95.04950	9.5
95.08605	2.6
97.06525	2.1
97.41614	1.1
105.07028	22.4
107.04932	1.7
107.08573	5.4
109.06495	4.0
115.05436	4.6
117.07024	11.4
119.08566	13.8
121.06487	3.6
121.10106	1.4
128.06213	12.0
129.06996	20.1
130.07759	4.5
131.08554	14.3
133.06483	3.3
133.10107	9.3
135.08011	3.2
141.06978	5.0
142.07776	11.4
143.08551	34.3
144.09309	3.5
145.06482	5.3
145.10123	28.8
147.08052	8.9
147.11664	4.7
149.09555	1.4
153.06970	1.9
154.07715	2.3
155.08551	10.2
156.09387	5.9
157.06470	1.4
157.10112	27.4
158.07225	3.0
159.08051	4.0
159.11685	14.5
160.55714	1.2
161.09625	9.2
161.13203	5.6
165.06978	6.0
167.08498	1.5
169.10085	4.6
170.10890	6.2
171.08075	7.1
171.11656	10.1
172.08821	2.7
173.09616	23.8
175.11198	3.1
175.14812	2.6
180.09367	6.3
183.07964	2.7
183.11690	3.4
185.09669	2.6
185.13237	29.3
187.11180	5.7
189.06979	7.6
189.09088	4.3
189.12700	5.2
195.11676	12.9
198.10361	2.7
202.07700	7.1
203.08553	15.0
203.14345	8.2
204.09384	3.8
212.23749	4.1
213.12714	22.4
213.24020	1.6
215.08568	4.2
230.10147	1.4
230.24782	60.7
231.08047	77.4
231.10075	2.6
231.13780	98.3
231.25114	22.8
232.08804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03930	1.5
55.05490	4.2
58.29100	1.4
63.15015	1.2
67.05480	3.9
69.03414	2.5
70.63687	2.1
71.04962	2.5
79.05484	8.1
81.07051	8.5
83.04971	1.7
85.06515	3.1
88.45323	1.2
90.39677	1.4
91.05476	13.3
93.07031	9.8
95.04964	13.2
95.08588	4.4
97.06517	2.1
98.61871	1.5
105.07010	28.0
107.04979	1.9
107.08570	4.9
109.06515	5.3
115.05439	4.0
117.06999	14.6
117.16744	1.4
119.08559	14.6
121.06499	3.1
123.08034	1.7
128.06206	11.0
129.06969	15.2
130.07797	6.1
131.04912	1.2
131.08549	15.4
133.06470	4.6
133.10143	7.2
135.08029	4.7
141.06950	4.8
142.07736	10.9
143.08537	29.3
144.09383	2.1
145.06476	6.4
145.10106	36.5
147.08023	10.4
147.11650	3.6
149.09605	2.0
153.06992	2.9
154.07750	2.7
155.08507	10.8
156.09314	7.0
157.10106	27.5
158.07257	5.4
159.08058	7.9
159.11697	10.6
160.08759	1.4
161.09610	11.3
161.13258	4.2
165.07011	6.4
167.08510	1.7
168.09334	1.6
169.10065	4.2
170.10860	5.4
171.08031	6.2
171.11649	11.5
172.08739	2.3
173.09604	29.9
173.13225	1.9
174.10326	1.4
175.11201	3.3
175.14842	3.9
179.08611	1.6
180.09314	7.2
182.10927	1.4
185.09610	2.1
185.11700	0.9
185.13240	26.9
187.11185	3.8
188.11848	2.2
189.12729	6.4
195.11636	11.4
198.10396	3.2
201.12657	2.3
203.14325	10.1
203.75777	1.5
213.12706	25.5
218.70367	1.3
231.13776	100.0
232.14125	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	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
54.81218	0.7
55.01871	1.0
55.05518	4.3
57.03432	1.6
57.07061	3.1
58.06585	2.5
59.04981	0.8
59.06927	0.7
62.06059	1.5
67.05510	4.0
69.03410	3.0
69.07058	1.8
69.15843	3.2
69.16274	1.4
71.04989	3.6
71.08619	1.6
79.05490	6.8
81.07042	11.7
83.04968	2.2
83.08610	0.7
83.49789	0.7
85.02877	1.0
85.06542	3.7
91.05466	16.4
93.07029	8.7
95.04961	10.4
95.08595	3.5
97.06532	1.5
98.23492	1.5
103.05471	1.1
103.35551	0.7
105.07014	28.1
107.04942	1.7
107.08595	6.1
109.06484	4.2
115.05430	4.4
116.06215	0.9
117.07008	12.1
119.04930	1.3
119.08577	14.6
121.06522	3.6
121.10126	2.0
123.04372	0.8
123.08071	2.5
128.06203	12.2
129.06985	17.0
130.07785	6.4
131.08553	18.0
133.06491	4.2
133.10118	10.5
135.08022	4.6
141.06946	5.2
142.07745	13.2
143.08546	38.0
144.09248	3.1
145.06476	6.3
145.10104	40.2
146.07126	0.9
146.17392	0.7
147.08041	11.8
147.11656	4.6
148.08804	0.8
149.09599	3.1
151.07608	1.0
153.06969	2.4
154.07779	2.0
155.06004	1.4
155.08546	13.0
156.09314	7.6
157.06471	1.0
157.10110	29.6
158.07263	3.1
158.10808	1.2
159.08041	6.4
159.11676	14.9
160.08777	0.8
161.09598	11.0
161.13246	4.3
165.06984	7.3
167.08521	2.9
169.10138	5.3
170.10881	6.9
171.08028	8.3
171.11684	10.0
172.08786	2.4
173.09595	29.6
173.11104	1.5
174.10239	1.6
175.07555	1.8
175.11191	5.7
175.14806	3.0
180.09311	6.9
183.08055	1.2
183.11671	1.9
184.08813	1.5
185.09598	3.2
185.13226	28.4
187.11130	5.2
188.11888	1.4
189.09099	1.9
189.12703	6.7
195.11650	12.1
197.09724	1.2
198.10428	4.5
201.12680	1.3
203.14288	9.4
213.12718	25.1
230.24741	9.6
231.13768	100.0
231.25119	4.2
232.14200	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	231.138
Annotation	Sugikurojinol B
Peak:m/z	Relative Intensity
55.05503	1.5
58.06588	0.7
60.18558	0.2
67.05500	1.0
69.03431	0.2
69.07067	2.4
69.53349	0.6
69.53754	0.4
79.05486	1.5
81.07044	2.4
83.04965	0.3
83.08606	0.4
91.05487	1.5
93.07049	1.5
95.04955	2.4
95.08598	1.6
97.06508	0.8
98.22702	0.2
103.05471	0.3
105.07020	2.5
107.08584	7.5
109.06507	1.5
109.10109	0.3
115.05411	0.3
117.06999	0.6
119.08549	1.5
121.06496	2.4
121.10130	0.2
123.04414	6.7
123.08027	0.9
124.04797	0.2
125.05976	1.1
128.06204	0.2
129.07001	0.4
130.07750	0.2
131.08514	0.3
133.06485	1.1
133.10101	1.1
135.08035	1.6
137.06012	0.2
142.07751	0.4
143.08516	1.4
145.06448	1.0
145.10141	0.5
147.08029	2.1
147.11740	0.3
149.05968	1.8
149.09581	0.4
151.07567	0.4
155.08545	0.5
156.09326	0.4
157.10126	1.3
159.08069	0.6
159.11684	0.3
161.05959	13.4
161.09598	1.2
162.06314	0.2
163.07524	2.0
165.07033	0.6
169.10124	0.2
170.10873	0.5
171.08025	0.7
171.11690	0.6
173.09657	0.5
174.06729	0.7
175.07536	10.0
175.10980	0.4
175.14819	0.3
177.09114	0.3
180.09271	0.3
183.08034	0.4
183.47055	0.2
184.08765	0.4
185.09666	0.3
185.13336	1.0
187.07521	0.3
188.11958	0.3
189.09103	0.7
189.12695	0.4
195.11678	0.7
198.10342	0.7
201.09076	0.9
203.14291	1.8
213.12778	1.3
216.11426	2.2
230.24734	0.8
231.13777	100.0
232.08719	0.4
232.14142	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	231.1379
Annotation	Secoeurabicol
Peak:m/z	Relative Intensity
51.43643	0.3
53.29224	0.3
55.01862	0.4
55.05499	0.4
55.37292	0.3
58.44285	0.3
66.42094	0.3
67.62214	0.3
69.03422	1.4
69.07050	0.7
70.63159	0.5
79.05505	0.4
81.03413	0.3
81.07028	0.7
91.05467	1.8
93.07006	0.6
95.04964	0.5
95.08607	0.4
97.02888	0.4
97.59882	0.3
99.86080	0.3
105.07025	1.5
107.08611	0.3
109.02845	0.3
112.87602	0.2
117.06972	1.1
119.08586	2.9
121.06517	0.4
123.08051	0.3
128.06194	1.4
129.06989	7.4
131.08557	0.7
132.05711	0.3
133.06491	0.4
133.10133	0.6
135.07930	0.3
141.06989	0.4
142.07739	0.6
143.08548	3.0
145.06479	0.6
145.10120	1.0
147.08032	3.8
153.06964	0.3
155.08571	0.8
157.06476	15.6
157.10049	2.0
158.07022	0.5
159.08044	0.8
159.11664	0.3
160.05171	0.4
161.09575	0.6
161.13280	0.3
165.07047	0.3
170.10870	0.8
171.08043	3.0
171.11641	0.5
172.08762	0.5
173.09590	1.3
175.07526	78.0
176.07863	1.5
180.09389	0.5
183.08037	0.9
184.08833	1.1
185.09657	1.8
185.13214	3.7
189.09126	1.3
195.11635	0.6
198.10356	2.2
201.09146	0.4
202.09924	0.4
203.14351	0.5
213.12724	15.1
216.11453	0.5
231.13774	100.0
232.14145	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	231.1379
Annotation	Volvatellin
Peak:m/z	Relative Intensity
52.71535	0.8
53.03943	5.5
55.01863	1.9
55.05497	2.4
57.03420	3.2
57.25307	0.9
59.90680	0.8
61.02921	1.3
65.03957	1.4
65.28023	0.8
67.05513	6.5
68.99773	1.2
69.03424	40.6
69.07056	3.3
70.51355	1.7
70.91987	0.8
71.05002	4.0
77.03914	1.4
79.05482	6.7
79.22197	0.9
81.03410	26.7
81.07050	15.7
83.01315	2.3
83.04954	1.1
85.02898	22.7
87.00822	10.5
91.05473	14.0
93.07038	9.1
95.04960	6.0
95.08596	15.0
97.02880	13.9
99.04457	7.9
101.26175	0.8
103.05470	12.0
105.01849	2.0
105.04494	1.4
105.07020	14.9
107.04922	1.7
107.08587	3.3
109.02876	8.6
109.06511	7.2
110.22218	0.8
111.04420	1.2
115.05437	2.9
116.06264	1.4
117.07003	7.4
119.04929	2.2
119.08575	12.3
121.06524	4.1
123.08056	2.6
127.03909	12.5
128.06178	6.4
129.03352	3.2
129.06990	9.6
130.07724	2.1
131.04924	2.7
131.08568	6.7
133.02751	0.8
133.06458	2.5
133.10112	6.2
135.08032	2.9
137.05945	4.0
141.06989	3.0
142.07776	7.7
143.08543	20.2
144.09351	1.7
145.04961	1.5
145.06487	2.8
145.10115	13.1
146.07346	1.1
147.04388	15.3
147.08038	5.9
147.11679	2.5
149.05966	0.9
149.09602	0.9
151.07526	0.9
155.08549	4.6
156.09320	2.8
157.02823	2.0
157.03952	0.9
157.06482	1.7
157.10107	20.8
157.86694	1.1
158.07230	1.0
158.10889	2.8
159.08029	3.2
159.11732	4.4
160.05225	1.7
161.05981	4.6
161.09610	3.6
161.13237	2.4
163.07530	2.2
165.06934	1.6
169.10179	1.2
170.10898	3.5
171.08067	2.6
171.11726	4.2
173.09599	7.1
174.10201	1.0
175.03891	39.3
175.07515	30.4
175.11162	2.0
175.14801	2.4
180.09341	2.3
183.08025	1.1
184.08907	0.9
185.02304	2.0
185.09610	1.0
185.13229	19.3
187.03920	4.5
187.11218	1.2
189.05450	1.9
189.09094	2.4
189.12706	3.2
195.11690	3.4
198.10391	1.9
203.03351	6.9
203.14297	21.8
213.12708	9.1
231.02869	100.0
231.13776	55.8
232.03203	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	231.138
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03942	1.9
55.01867	2.1
55.05514	4.1
55.48074	0.8
57.03421	2.2
59.04995	1.2
59.39965	0.8
59.76229	0.7
62.51348	0.8
65.03931	1.8
67.05491	5.5
69.03426	13.8
69.07063	2.8
69.60663	2.4
71.04989	4.3
75.76420	0.9
77.03899	1.8
79.05493	12.5
81.03409	6.9
81.07054	20.5
83.04975	3.8
83.08608	1.0
85.02910	4.8
85.06544	8.2
87.00824	2.0
91.05479	21.7
93.03384	1.2
93.07049	13.6
95.04963	20.2
95.08600	7.5
97.02904	2.3
97.06526	1.6
99.04449	2.8
103.05455	5.1
105.03394	0.9
105.04564	1.3
105.07021	38.3
107.04968	2.2
107.08584	11.2
109.02848	1.6
109.06509	7.9
111.04456	1.1
111.08089	0.9
115.05424	6.2
116.06223	1.4
117.07016	16.5
119.04949	1.5
119.08582	17.9
121.06503	7.3
121.10170	2.5
123.08050	4.1
127.03863	2.6
128.05307	1.7
128.06207	17.8
129.06097	1.3
129.07005	22.0
130.07799	7.0
131.04892	2.3
131.08563	19.4
133.06519	8.8
133.10110	11.4
135.08020	6.2
137.06015	1.5
141.06958	7.7
142.07782	14.1
143.08554	53.8
144.09314	3.9
145.06467	9.7
145.10121	40.3
147.04390	5.4
147.08018	9.4
147.11679	3.5
149.05969	1.1
149.09575	5.7
153.06944	4.7
154.07751	1.8
155.06000	1.7
155.08534	16.6
156.09348	9.3
157.02756	1.5
157.10117	30.6
158.07263	4.0
158.10820	1.8
159.08060	6.9
159.11676	9.9
160.08745	1.0
161.05923	1.8
161.08374	1.4
161.09619	15.5
161.13229	3.2
165.06985	10.1
166.07700	1.1
167.08569	3.1
168.09380	1.2
169.10123	6.1
170.10922	7.0
171.08047	9.4
171.11685	12.8
172.08839	1.9
173.09613	39.1
173.13269	1.3
174.10272	1.0
175.03918	13.3
175.07544	4.7
175.11200	5.0
175.14763	4.3
176.08057	0.9
179.08545	1.4
180.09323	12.5
183.08047	2.6
183.11652	2.1
184.08812	2.0
185.09613	3.2
185.13245	36.7
186.13669	1.0
187.03896	1.9
187.11220	5.7
187.14679	0.9
189.09091	2.5
189.12735	7.3
195.11682	22.8
198.10358	3.6
199.11139	0.9
200.12074	1.2
201.12721	2.1
203.03372	1.7
203.10690	2.5
203.14305	12.8
213.12735	39.3
214.13124	1.1
231.02899	26.6
231.05037	1.9
231.13786	100.0
232.14139	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0603
Annotation	Eglinazine
Peak:m/z	Relative Intensity
68.99785	1.0
71.36983	0.4
72.08152	0.6
81.07024	0.4
91.05473	1.6
95.04990	0.4
103.05460	4.7
105.03388	1.3
109.06497	0.6
115.05444	3.6
117.07014	0.5
128.00926	0.4
128.04980	1.8
129.03357	5.2
129.04343	0.5
131.04935	1.7
141.03320	0.5
143.04865	0.8
146.03584	2.3
148.03929	1.0
158.06012	0.7
159.04405	4.7
161.05959	24.1
169.08598	0.7
172.03867	1.8
173.02324	8.6
174.12733	0.5
177.05434	2.0
186.05470	2.2
187.03773	19.6
188.04317	0.5
189.04150	2.9
204.06540	100.0
205.06761	2.3
206.37044	0.4
215.03290	1.7
232.06020	77.0
233.06285	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1696
Annotation	Rotundine A
Peak:m/z	Relative Intensity
52.17222	0.3
54.19772	0.4
54.58379	0.3
57.07072	0.7
57.64339	0.4
62.60272	0.3
70.97155	0.4
74.51464	0.3
76.45200	0.4
85.02903	0.5
91.05479	0.6
95.08624	0.3
106.06556	0.8
112.04775	0.6
117.41896	0.4
118.06555	3.5
118.07324	0.5
123.69382	0.4
132.08083	11.7
133.10066	0.4
134.09622	1.1
144.08063	1.6
145.08838	2.1
157.10077	0.4
158.09610	3.0
159.10403	3.6
174.12775	100.0
174.94005	0.4
175.13127	2.0
175.14404	0.4
232.14273	1.2
232.16930	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	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02032	27.4
56.96568	82.7
57.47703	25.2
67.95188	29.7
71.18005	54.9
71.81843	27.4
83.38573	32.9
94.93016	40.1
98.97548	76.8
116.98579	56.3
119.01881	38.4
121.38958	36.7
128.98607	50.1
143.10637	32.8
161.02930	100.0
164.52312	30.3
174.25508	30.8
190.98576	44.6
212.44258	32.1
233.58316	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64519	44.3
68.18887	34.5
71.41443	38.1
87.94118	36.6
94.92994	89.6
101.00835	46.2
103.80229	36.6
111.19978	37.9
119.01787	43.7
143.01949	57.1
160.43221	43.9
161.02937	100.0
166.54190	41.5
167.57990	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70274	1.3
66.69582	1.2
69.85536	1.7
69.85889	4.8
73.02903	1.5
84.08121	2.0
129.21931	1.3
143.01924	1.6
161.02968	2.9
186.52232	1.5
233.06316	100.0
234.06534	2.2
252.21040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0959
Annotation	1-Methoxypyrene
Peak:m/z	Relative Intensity
66.21484	0.2
67.96499	0.2
69.02459	0.2
84.87528	0.2
85.95943	0.2
128.06151	0.2
138.21469	0.2
165.06960	1.9
176.06319	0.3
177.06920	0.3
178.07739	2.0
179.08534	8.0
180.08907	0.3
187.05414	0.2
189.06969	35.9
190.07751	82.5
191.08072	2.7
202.07736	3.8
203.08528	7.0
204.05701	0.4
204.09328	5.9
205.10103	65.7
206.10449	2.1
207.08061	0.2
214.07774	0.7
215.08542	3.2
216.09251	0.5
218.07246	16.3
219.07605	0.6
232.08817	2.0
233.09579	100.0
234.09917	3.1
237.81737	0.2
243.09190	0.8
248.31224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0959
Annotation	1-Methoxypyrene
Peak:m/z	Relative Intensity
56.89274	0.1
71.31216	0.1
71.43398	0.2
76.41666	0.1
95.01265	0.1
97.12103	0.1
102.89106	0.1
111.85416	0.1
152.20993	0.2
155.06046	0.2
163.07518	0.5
165.06972	1.8
166.07811	0.2
176.06090	0.3
177.06937	0.4
177.09068	0.2
178.07716	1.6
179.08540	7.5
180.08794	0.2
189.06967	33.0
190.07747	71.3
191.08087	2.0
193.06418	0.2
202.07755	3.2
203.08534	7.5
204.06017	0.2
204.09311	5.2
205.10097	58.8
206.10416	1.6
213.07127	0.2
214.07739	0.8
215.06435	0.2
215.08528	3.7
216.09251	0.5
218.07237	15.5
219.07634	0.5
231.08022	0.5
232.08780	2.2
233.09572	100.0
234.09918	3.2
243.09180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57157	0.3
56.96516	0.3
62.50611	0.3
62.98295	0.3
66.37563	0.4
69.66329	1.4
81.07033	0.4
91.05481	0.6
95.08599	0.3
95.49711	0.3
98.97588	0.5
105.07029	0.4
107.08587	0.5
112.23228	0.4
113.82707	0.4
116.98600	0.4
145.10147	0.5
158.10841	0.4
159.08069	2.9
165.06973	1.8
166.75183	0.4
173.09584	0.4
177.05499	0.8
177.06927	0.5
178.06215	1.4
178.07758	1.3
178.96068	0.6
179.08540	9.2
186.95239	0.5
189.06972	40.0
190.07748	94.7
191.08081	2.8
202.07701	2.8
203.08519	6.5
204.05774	0.6
204.09322	5.8
205.10100	100.0
206.10501	3.3
215.08496	1.5
215.14282	0.7
216.09082	0.5
218.07242	18.0
231.08052	0.4
232.08791	1.8
233.09578	86.7
233.15178	4.9
234.09940	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0961
Annotation	1-Methoxypyrene
Peak:m/z	Relative Intensity
69.66153	1.4
91.05444	0.4
98.97529	0.4
121.22941	0.4
131.08658	0.4
145.10078	0.4
165.07033	1.5
178.07759	1.8
178.95943	0.6
179.08554	7.7
189.06979	32.2
190.07764	69.8
191.08148	2.2
202.07739	2.9
203.06770	0.6
203.08542	6.3
204.05682	0.5
204.09344	4.1
205.10114	59.1
206.10390	1.7
214.07837	1.0
215.08537	3.7
215.14247	0.9
216.09326	0.6
218.07253	14.5
219.07788	0.5
231.07956	0.4
232.08792	2.1
233.09593	100.0
234.09937	3.4
243.09328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03954	1.2
55.01871	3.0
55.05526	2.5
65.03963	1.8
67.05496	5.0
68.13908	0.5
68.99800	0.6
69.03420	3.2
69.07084	2.5
69.36353	2.8
71.05006	2.0
77.03947	0.8
79.05489	12.7
81.03434	1.1
81.07050	10.0
81.07500	0.9
83.04989	2.5
87.00823	1.2
91.05473	14.7
93.07037	10.4
95.04965	8.0
95.08631	2.5
97.01427	0.5
97.06532	1.7
99.04459	2.3
103.05486	1.4
105.04528	1.3
105.07019	25.9
106.07383	0.7
107.04936	11.7
107.08574	3.7
109.06500	6.6
109.10136	0.8
111.04430	0.8
115.05423	3.8
116.06271	0.7
117.07008	13.9
119.04933	17.7
119.08566	7.7
120.08112	4.6
121.06499	14.6
121.10126	1.9
123.04445	1.0
123.08032	0.6
125.05988	0.9
125.09610	3.2
127.07554	2.0
128.06190	4.6
129.06995	8.2
130.07776	10.1
131.04907	1.6
131.08556	10.1
132.08073	1.5
133.06464	5.5
133.10106	2.3
134.07263	0.5
135.04390	2.0
135.08034	3.2
135.11711	1.1
136.59261	0.5
137.05951	5.8
139.07605	0.7
141.05490	0.6
141.06973	3.8
142.07724	0.6
142.35892	0.5
143.08556	5.6
144.05690	2.0
144.09338	2.7
145.06451	7.4
145.10109	47.7
146.07259	0.6
146.09599	11.5
147.08037	1.5
147.11678	4.9
148.08795	1.1
149.05939	0.9
151.07491	0.7
153.06989	1.3
154.07758	4.6
155.06044	0.8
155.08527	3.1
157.06447	2.2
157.10120	1.6
158.07249	5.9
159.04410	0.6
159.08038	6.5
159.11678	13.5
160.05161	2.4
161.05888	0.7
161.09613	1.5
163.07498	0.6
163.11162	22.7
164.11508	0.5
167.08574	1.1
169.06424	1.2
169.10097	8.7
171.08051	2.3
171.11671	1.5
172.05132	0.9
172.08772	2.4
173.09602	100.0
174.06740	1.6
174.10005	1.3
175.07510	9.2
177.04361	0.6
177.09174	0.9
178.07773	0.8
179.08542	5.3
181.06474	1.9
182.07259	3.0
185.09689	1.0
187.07536	3.0
187.11160	27.8
187.14742	1.4
188.11539	0.8
189.09081	1.6
189.12756	2.8
191.10306	1.3
191.11896	10.7
197.09602	12.3
197.13335	0.6
205.06479	5.4
205.12245	3.7
215.10614	25.3
215.14111	1.3
215.17955	0.8
216.10892	1.2
233.03362	1.7
233.05859	3.4
233.07758	3.5
233.11670	19.7
233.15242	8.3
233.18872	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03935	1.0
55.01861	2.2
55.05500	2.4
59.05416	0.8
67.05508	4.9
68.99787	1.6
69.03417	5.6
69.07047	2.9
70.22049	2.0
71.04984	2.5
77.03927	1.1
79.05488	13.4
79.95033	0.6
81.07050	5.0
83.04955	1.4
85.06519	1.8
87.00820	1.0
87.04436	0.7
91.05477	13.4
93.07031	9.3
95.04967	7.6
95.08592	1.1
97.06515	0.8
99.04464	5.5
103.05463	1.1
105.06351	1.4
105.07025	25.6
107.04941	14.1
107.08590	4.2
109.06505	3.0
111.04398	0.8
113.05950	0.8
115.03903	1.0
115.05445	2.8
116.06213	0.8
117.07009	14.5
119.04919	3.8
119.08569	6.4
121.06512	9.5
121.10122	2.2
125.05930	1.1
128.06227	2.5
129.06984	4.9
130.07788	8.5
131.04921	1.1
131.08557	10.8
133.06476	2.9
133.10123	3.6
135.04390	2.1
135.08070	2.0
135.11665	3.0
137.05942	2.0
141.06972	2.7
142.07788	0.9
143.08559	7.0
144.09315	2.8
145.06496	5.9
145.10120	62.3
146.07356	0.7
147.08026	2.9
147.11676	5.8
148.08859	2.6
151.07520	0.9
154.07756	2.4
155.08556	1.7
156.09271	1.0
157.10155	1.1
158.07259	3.4
159.08043	4.9
159.11688	19.1
161.06067	1.4
161.09641	1.1
163.07567	1.8
163.11168	69.4
164.11478	1.1
169.10098	7.5
171.11642	1.2
172.08827	2.4
173.09612	100.0
174.09970	2.6
175.07593	1.4
177.12784	1.0
179.08539	1.1
182.07257	0.8
184.77646	0.7
187.11163	34.3
189.09148	0.8
189.12721	2.7
191.10637	5.2
197.09601	4.1
205.06499	1.0
205.12236	5.3
207.77173	0.6
215.10648	20.8
215.13986	0.8
233.03568	0.7
233.05890	0.9
233.11716	27.9
233.15388	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
53.03957	1.1
55.01868	2.0
55.05510	3.1
57.07074	1.1
59.04992	1.1
62.99070	1.1
65.03944	1.1
67.05502	8.6
67.78783	0.7
68.99792	0.8
69.03425	5.5
69.07059	5.6
71.04992	2.8
71.40939	0.7
72.54181	0.7
79.05486	12.1
81.03430	0.7
81.07058	7.9
83.04977	2.0
83.08607	0.9
85.06548	2.3
91.05470	16.6
93.07044	12.2
95.04979	7.5
95.08609	4.8
97.06522	2.6
99.04454	5.9
103.05470	1.0
105.03746	0.9
105.04481	0.9
105.07024	28.2
107.04945	8.8
107.08587	6.5
109.06512	3.0
109.10133	1.6
111.08086	1.3
115.05447	2.6
116.06255	1.3
117.07017	17.1
119.04948	2.4
119.08562	12.3
121.06500	10.1
121.10148	7.1
123.08068	1.1
125.05959	1.3
127.07570	1.1
128.06192	1.6
129.07025	4.3
130.07784	7.3
131.08556	19.5
133.06488	2.1
133.10123	9.3
135.04416	1.3
135.08032	2.3
135.11714	4.1
137.05972	2.5
137.09602	1.1
141.06998	1.9
142.07722	1.5
143.08530	6.8
144.09367	2.9
145.06477	6.2
145.10114	57.0
146.10451	1.1
147.08052	2.0
147.11678	9.2
148.08803	1.2
149.06017	1.8
149.09572	2.6
151.07483	0.8
153.06911	1.1
154.07800	3.5
155.08554	1.6
156.09358	1.0
157.10132	3.6
158.07271	4.0
159.08047	4.4
159.11682	31.3
161.06013	1.5
161.09779	3.0
163.07510	1.3
163.11168	35.0
164.11487	0.8
169.10092	6.4
171.11659	2.4
172.08833	1.5
173.09610	100.0
173.13228	3.2
174.10002	2.6
175.07510	1.5
175.11086	1.2
176.06163	1.5
177.04453	1.5
177.06966	2.1
177.09181	1.0
177.12686	2.1
179.08510	0.8
181.06409	0.8
182.07256	1.2
187.11169	31.5
187.14748	7.9
189.09213	1.4
189.12674	3.6
189.16353	0.9
191.10699	6.4
197.09564	4.8
205.06473	16.4
205.08284	0.9
205.12172	5.3
206.06845	0.9
215.10657	21.4
215.14304	2.0
215.17908	6.1
233.03419	4.6
233.05937	10.9
233.08008	1.3
233.11696	29.6
233.15262	10.3
233.18939	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	233.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49571	2.9
55.05501	7.3
67.05493	12.2
69.03412	3.3
69.07056	4.1
70.52181	5.0
71.04984	6.1
79.05486	14.3
81.07047	37.3
83.04986	3.2
85.06535	5.4
91.05465	18.8
93.07040	21.1
95.04952	18.0
95.08609	20.9
97.06516	7.3
105.07018	76.3
107.08590	27.4
109.06509	8.3
109.10159	8.1
115.05457	3.0
117.06993	29.8
119.08580	37.7
121.06485	8.7
121.10184	14.1
123.08051	4.2
128.06229	3.8
129.07001	11.4
130.07803	5.1
131.08559	45.4
133.06476	8.3
133.10124	21.7
135.08034	9.1
135.11668	3.6
137.05986	2.4
137.09595	2.8
141.06981	3.3
142.07774	18.6
143.08551	9.1
144.09337	6.4
145.06418	3.8
145.10123	63.7
146.07263	3.1
147.08011	5.5
147.11671	37.2
149.09592	5.9
149.13313	2.6
154.52608	2.8
155.08585	8.1
156.09389	4.6
156.22226	2.6
157.10127	42.2
158.10890	5.4
159.08072	8.2
159.11684	80.1
160.12102	2.6
161.09633	25.3
161.13326	3.7
163.07326	3.3
163.11217	4.3
169.10147	5.3
171.11673	8.5
173.09612	10.8
173.13290	18.9
175.11165	72.9
177.05507	2.6
177.12772	4.3
178.06264	3.2
182.10939	7.4
187.11201	3.6
187.14809	43.6
189.12686	5.2
191.10703	3.7
191.14304	6.7
197.13161	12.7
203.14178	3.1
205.15858	9.4
215.14291	36.5
226.45229	2.8
233.15350	100.0
233.17635	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	233.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.7
57.03415	2.3
57.07047	1.6
59.04993	1.4
66.06713	1.6
67.05507	10.4
69.03402	2.9
69.07049	4.3
71.04967	3.7
71.19293	1.9
79.05486	16.1
81.07049	24.2
83.04969	2.9
83.08612	2.7
85.06517	1.9
90.34113	1.7
91.05470	25.7
93.07033	21.3
95.04955	15.9
95.08592	18.2
97.06514	5.7
98.23061	1.8
99.04455	1.9
105.06344	2.9
105.07017	39.1
107.08575	20.5
109.06501	7.6
109.10135	8.4
111.08025	2.6
115.05421	2.3
117.07012	15.7
119.08572	22.8
121.06506	11.7
121.10126	16.6
123.08040	6.8
129.06984	10.3
130.07762	2.5
131.08542	30.2
133.06477	6.2
133.10106	17.4
135.08037	9.2
135.11671	11.1
137.09616	3.8
142.07776	13.0
143.08537	7.0
144.09326	3.2
145.06453	2.1
145.10115	30.5
147.08014	4.5
147.11682	17.0
149.09576	4.7
149.13214	3.2
151.07472	1.8
155.08504	6.0
156.09360	1.7
157.10110	32.2
158.10825	2.3
159.08054	6.3
159.11694	35.8
160.08768	3.1
161.09587	6.9
163.11174	3.6
163.14775	2.9
165.07010	1.5
167.08563	2.2
169.10089	4.9
171.11650	4.3
172.12407	1.8
173.09622	10.1
173.13234	10.8
175.11165	66.2
177.05417	5.0
177.09097	3.4
177.12787	3.1
178.06241	3.2
178.73439	2.1
179.08553	1.9
182.10889	3.6
187.11134	3.4
187.14795	21.7
189.06891	7.6
190.07765	20.2
191.10748	1.6
191.14305	10.2
193.12164	1.9
197.13254	12.6
203.08565	2.6
205.10089	16.7
205.15875	4.5
215.08481	1.7
215.14314	22.2
218.07291	4.3
225.50125	1.7
233.09605	26.3
233.11555	2.7
233.15326	100.0
233.22638	5.5
234.15572	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51712	2.4
55.05498	8.5
57.03435	3.1
67.05489	13.0
69.03418	3.6
69.07043	3.2
70.04369	3.4
70.04689	5.4
71.04989	4.8
79.05486	11.1
81.07046	32.5
83.04971	4.2
91.05459	20.0
93.07027	16.3
95.04966	18.2
95.08593	15.5
97.06515	5.9
105.07022	53.7
107.04993	2.7
107.08588	13.8
109.06488	9.6
109.10144	7.6
111.08141	3.6
116.98575	2.4
117.07041	14.6
119.08587	30.3
121.06493	7.0
121.10137	8.5
123.08062	5.0
128.06171	3.2
129.06989	8.8
130.07640	3.5
131.08548	31.6
133.06500	4.3
133.10104	16.8
135.08026	9.6
137.06006	3.7
137.09567	3.6
142.07762	10.8
143.08551	11.4
144.09364	5.2
145.06436	3.5
145.10110	42.3
147.08015	7.6
147.11676	24.8
149.09621	4.2
149.13126	3.1
151.07626	2.6
155.08575	6.8
156.09326	4.9
157.10103	33.2
158.10855	2.5
159.08052	9.3
159.10368	3.5
159.11673	58.8
161.09622	25.4
161.13165	3.2
163.11110	2.4
169.10114	5.2
171.11659	9.6
173.09608	9.1
173.13254	18.5
175.11163	59.1
175.14738	2.7
177.05426	3.2
177.09058	3.0
177.12721	4.5
178.06219	3.6
178.95981	6.1
182.10977	4.5
187.11211	3.2
187.14787	30.7
189.12740	4.3
197.13269	14.0
203.14394	2.4
205.15872	5.6
215.14325	33.9
233.11803	5.3
233.15343	100.0
233.18954	4.1
234.15930	3.2
234.18584	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	233.1535
Annotation	Oculatol
Peak:m/z	Relative Intensity
52.84857	0.9
55.01876	0.9
55.05495	2.3
67.05491	4.5
69.03407	2.0
69.07040	2.1
71.04968	2.1
71.43441	1.2
76.17355	0.8
76.65347	0.9
79.05482	2.7
81.07053	7.2
91.05464	8.1
92.87978	1.0
93.07043	5.4
95.04960	6.3
95.08589	4.5
96.87601	1.1
97.06509	2.0
98.97620	0.8
100.08569	0.9
105.07024	18.2
106.51762	0.9
107.08580	9.7
108.92559	0.8
109.06487	5.7
109.10151	7.4
116.06237	1.0
117.06998	4.0
119.08567	11.5
120.51693	0.9
121.06509	6.5
121.10107	3.1
123.04420	1.6
123.08028	3.2
125.09591	0.9
129.06999	2.0
130.07733	1.3
131.08582	9.1
131.09489	1.3
133.06512	1.5
133.10117	4.0
135.08032	7.2
135.11667	1.8
135.15393	1.0
137.09586	1.2
141.06975	1.2
142.07788	5.7
143.08534	3.2
145.06461	3.8
145.10106	17.6
147.08026	3.0
147.11668	8.6
149.09569	4.7
151.07437	2.7
155.08519	2.6
156.09288	1.5
157.10117	14.7
159.08043	41.8
159.11671	7.4
160.08658	1.4
161.09615	2.4
163.07539	1.0
163.11174	2.4
163.14760	1.1
167.02028	0.9
167.08609	1.1
169.10112	2.5
169.59201	1.0
173.09691	6.6
173.13243	3.4
175.09645	1.9
175.11166	38.3
177.05460	3.0
177.09062	1.6
178.06229	3.2
178.96039	2.6
182.10901	2.8
185.13164	1.0
187.11110	1.6
187.14844	6.7
189.12715	1.4
191.07137	1.4
191.14290	1.7
197.13257	7.0
200.11952	1.4
203.14284	1.3
205.15894	3.0
215.14311	21.8
233.11569	2.6
233.15341	100.0
234.15656	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	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
55.01867	4.1
55.05491	12.4
57.03431	5.8
67.05502	20.7
67.47113	3.3
69.07053	9.0
79.05481	41.2
81.03400	4.5
81.07049	33.1
83.04974	9.3
83.08643	4.4
86.74866	3.3
91.05467	39.0
93.07037	26.9
95.04947	8.8
95.08609	21.0
95.09150	3.3
97.06528	5.0
105.07024	54.0
107.04926	27.6
107.08575	26.2
109.06518	22.7
109.10150	7.4
111.04447	6.6
111.08057	6.3
113.29247	3.0
116.98631	5.6
117.06985	17.7
119.08597	27.6
121.06506	28.1
121.10093	6.1
123.08051	5.6
129.06996	7.3
131.08554	63.0
133.06500	5.4
133.10143	22.1
135.08026	9.5
137.05991	4.2
141.06929	3.6
143.08527	13.6
144.09314	4.0
145.06412	5.0
145.10109	59.4
147.11659	10.9
149.09644	4.9
149.13167	3.6
155.08536	14.9
156.09372	4.2
157.10106	11.1
159.08061	9.3
159.11711	23.8
161.09602	16.1
163.07497	5.9
167.08693	3.5
169.10136	6.7
171.11649	10.8
173.09618	24.4
173.13234	87.8
174.09985	3.6
175.11105	7.2
177.05394	3.3
177.09132	9.7
178.96068	7.3
182.10921	3.9
182.74506	3.5
187.14804	48.5
191.07022	3.7
191.10738	3.4
191.14278	4.3
197.13205	17.4
205.15808	6.6
209.71870	3.2
215.14291	43.0
233.15341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	7.0
55.47992	2.5
56.96526	2.5
57.03408	3.8
60.29151	2.6
61.86249	2.2
65.70378	2.4
67.05479	9.1
69.07069	4.9
69.74009	3.1
69.74313	5.5
71.04976	4.9
72.58346	2.5
74.87034	2.5
79.05470	10.1
81.07055	37.7
83.04969	3.9
85.06519	4.6
91.05475	19.6
93.07027	21.1
95.04956	18.4
95.08598	14.3
95.49136	2.7
97.06501	6.7
98.22717	3.0
105.07021	82.4
107.08577	20.7
109.06519	6.3
109.10117	7.6
111.10670	2.7
116.06181	2.7
117.07026	20.2
119.08579	36.2
121.06489	8.9
121.10123	10.6
123.08046	5.4
128.06248	4.6
129.06999	9.9
130.07767	3.6
131.07629	4.5
131.08556	44.1
133.06447	3.2
133.10109	21.3
135.08032	8.7
135.11627	5.1
142.07771	17.4
143.08556	7.6
144.09300	6.2
145.10101	50.6
146.10461	2.9
147.08055	7.5
147.11678	29.9
148.10663	2.5
149.09605	4.5
155.08495	7.7
156.09253	2.8
157.10106	42.8
158.10898	8.7
159.08018	9.5
159.11678	90.7
161.09607	31.1
161.13188	5.3
163.11127	4.4
169.10103	5.0
171.11671	5.2
172.12407	4.6
173.09613	8.5
173.13251	15.0
175.11186	71.7
177.05423	7.2
177.09042	7.1
177.12601	2.5
178.06206	8.7
178.96085	5.8
182.10945	6.1
187.14790	40.6
189.12697	7.4
191.10686	3.1
191.14241	7.0
197.13222	13.8
205.10204	2.8
205.15846	7.1
215.14313	31.9
233.09447	9.2
233.11644	10.8
233.15329	100.0
233.56007	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	233.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58735	1.0
55.05508	5.1
57.03430	1.3
67.05496	9.5
69.03457	1.3
69.07048	3.8
69.26546	0.9
69.26879	6.3
71.04987	5.0
79.05491	10.3
81.07049	23.9
83.04967	4.3
85.02901	1.2
85.06519	2.6
91.05468	25.2
93.07037	20.5
95.04962	9.1
95.08600	12.5
97.06517	4.4
99.04421	2.8
103.05463	1.2
103.17397	1.2
105.07018	42.9
107.04937	1.5
107.08576	18.5
109.06520	8.3
109.10113	2.5
111.08080	2.3
115.05437	3.4
116.06247	2.4
117.07005	23.1
119.08575	26.5
121.06470	7.4
121.10161	7.6
123.08051	4.4
128.06223	1.5
129.06984	12.5
131.08551	36.3
133.06445	4.4
133.10117	17.5
135.08009	5.3
135.11659	1.6
137.09593	1.8
139.07576	1.3
141.06958	2.6
142.07770	12.1
143.08559	7.5
144.09375	2.8
145.06462	3.3
145.10106	26.1
147.08070	4.9
147.11670	21.5
149.09639	2.6
149.13185	1.6
151.11267	1.4
155.08540	6.6
157.10104	30.4
158.10875	2.0
159.08041	6.6
159.11682	33.6
160.08774	2.7
160.12288	1.3
161.09598	10.5
161.13303	3.2
163.11162	4.4
163.14777	2.9
167.08519	1.6
169.10100	4.9
171.11610	5.2
172.12361	1.1
173.09605	7.6
173.13234	13.1
175.11171	86.6
176.11497	2.9
177.05606	1.2
177.07318	1.0
177.09035	2.4
177.12744	3.2
177.16222	1.4
178.06125	1.0
182.10884	3.3
185.13338	1.7
187.11125	2.4
187.14790	24.2
189.12724	2.0
191.10579	1.4
191.14272	6.1
193.12178	4.4
197.13252	13.9
203.14407	1.0
205.06458	2.2
205.15939	5.3
215.14296	28.3
233.06062	2.1
233.15334	100.0
234.15706	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
50.12138	1.3
53.03943	2.5
55.01845	1.6
55.05497	6.0
57.03427	1.5
57.07051	2.4
59.04993	1.2
60.72088	1.2
62.13710	1.6
65.03957	1.4
67.05506	9.5
69.03411	5.2
69.07057	6.5
70.20277	3.5
71.04974	5.5
74.29984	1.1
74.79633	1.3
79.05485	10.9
81.07054	22.2
83.04971	3.2
83.08593	1.4
85.06520	3.8
91.05467	15.7
93.07031	18.1
95.04964	13.5
95.08595	16.8
97.06523	21.4
98.97546	1.6
103.05456	1.6
105.07021	42.0
107.04950	1.7
107.08583	16.0
109.06505	10.1
109.10140	4.9
111.08076	4.0
115.05427	2.0
116.32188	1.4
117.07002	10.9
119.08573	34.4
121.06485	11.1
121.10110	9.0
123.08085	8.8
125.05964	1.5
125.09588	2.1
128.06201	2.0
129.06966	6.0
130.07788	2.4
131.08549	26.6
133.06523	3.5
133.10107	20.6
134.88713	1.1
135.08051	9.7
135.11668	4.8
137.05975	1.2
137.09515	2.1
141.06998	2.5
142.07758	10.3
143.08568	7.8
144.09331	3.1
145.06474	2.8
145.10114	43.6
146.10565	1.2
147.08046	6.7
147.11687	24.2
149.09576	5.6
149.13263	1.8
154.07716	1.4
155.08548	3.7
155.79153	1.3
156.09340	3.6
157.10121	30.9
158.07275	1.9
158.10860	4.1
159.08028	9.9
159.11691	32.0
160.08759	1.4
161.09590	14.3
161.13252	3.6
163.07501	1.6
163.11209	5.5
163.14745	1.7
163.87419	1.3
167.08553	1.9
169.10094	3.4
171.11719	7.6
173.09627	11.6
173.13237	21.2
175.11180	40.5
175.14772	1.6
177.05479	3.2
177.08983	1.9
177.12694	4.5
177.16173	1.4
178.06244	4.4
178.95975	2.3
182.10898	4.9
185.13216	2.5
186.95213	2.4
187.11156	2.9
187.14819	29.7
189.12767	3.7
190.32079	1.3
191.07053	1.9
191.14281	4.0
197.13219	12.7
203.14328	7.0
205.12181	1.7
205.15848	10.5
215.14299	28.7
231.25406	1.2
233.11586	4.2
233.15346	100.0
234.15709	2.5
244.23106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03934	4.0
55.01859	2.8
55.05511	7.3
57.03424	1.3
57.07061	2.3
57.47254	1.0
63.02378	0.9
65.03947	1.4
67.05498	10.8
69.03411	4.5
69.07065	7.5
69.99442	0.9
71.04982	2.2
71.43499	1.0
79.05487	12.1
81.03395	3.2
81.07053	38.9
83.04971	3.2
83.08616	1.3
91.05473	22.1
93.07040	28.8
95.04966	7.9
95.08603	22.8
97.06519	4.7
103.05464	2.6
105.07024	45.1
107.04926	3.5
107.08588	26.6
108.08823	1.1
109.06504	6.8
109.10158	7.3
111.08049	2.3
111.12980	1.1
115.05477	2.1
116.06242	1.0
117.07018	21.4
119.04944	1.6
119.08574	25.1
121.06506	8.3
121.10139	9.9
123.08038	5.1
125.05963	1.2
128.06200	2.6
129.07001	8.0
130.07762	4.0
131.08557	51.3
133.06454	5.4
133.10127	13.5
135.08023	7.1
135.11693	4.0
137.09624	2.3
139.07518	1.2
141.06923	2.1
142.07782	7.5
143.08537	9.5
144.09329	7.1
145.06487	2.6
145.10115	44.9
147.08015	6.7
147.11665	14.3
149.05945	2.0
149.09589	3.8
149.13239	2.4
151.07535	1.9
153.09102	3.2
155.08508	7.0
156.09303	3.1
157.10129	20.3
158.07227	1.6
158.10834	2.7
159.08118	7.3
159.11685	100.0
160.08835	1.4
160.12195	2.1
161.09575	3.4
161.13243	4.6
163.03922	3.0
163.07570	5.2
163.11171	1.5
167.08591	2.7
169.10078	4.4
171.11671	4.2
172.08713	1.4
173.09619	10.5
173.13258	17.4
175.11189	30.6
177.05463	23.4
177.09099	6.2
177.12715	3.4
177.16302	1.6
178.06241	21.9
178.96056	1.6
182.10895	3.6
185.54063	1.1
187.11284	5.8
187.14798	45.3
188.15163	1.7
189.12740	4.8
191.07013	6.7
191.10645	3.0
191.14326	3.1
197.13263	14.2
200.11960	1.1
205.12280	2.8
205.15816	8.4
212.94685	1.1
215.10864	1.5
215.14314	31.2
224.04936	1.1
233.09279	2.3
233.11829	18.2
233.15346	86.3
234.15604	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.0
55.20265	1.5
59.84788	1.4
62.31482	1.3
67.05494	8.2
69.03421	4.2
69.07067	4.7
71.04991	5.8
71.43058	1.4
75.00052	1.5
79.05479	9.5
81.07048	15.4
83.04951	1.8
85.06530	3.1
91.05471	15.7
93.07031	16.8
95.04964	12.7
95.08592	10.5
97.06531	4.2
101.72409	1.3
105.07022	39.3
107.04929	2.9
107.08586	22.5
109.06503	8.7
109.10153	3.7
111.08069	2.3
114.68655	1.4
115.05482	1.9
117.07033	10.2
119.08565	33.7
121.06466	8.0
121.10117	5.2
123.08077	1.9
123.11717	2.2
125.09615	2.9
128.06210	2.1
129.06996	6.9
130.07790	2.9
131.08551	21.3
133.06482	3.8
133.10101	14.6
135.08035	16.1
135.11668	4.5
137.09631	2.2
141.06969	1.6
141.13487	1.5
142.07727	14.2
143.08507	3.6
145.06438	1.6
145.10107	40.8
146.10410	1.6
147.07993	3.8
147.11676	25.7
149.09592	9.6
151.11108	1.5
155.08568	5.9
157.10109	35.3
158.07207	2.1
158.10966	1.9
159.08031	12.3
159.11656	22.7
160.08839	4.6
161.09590	7.0
161.13200	2.6
163.07541	6.1
163.11205	10.6
163.14929	2.0
169.10149	3.1
171.11674	4.1
172.08540	1.7
172.12408	2.0
173.09567	13.7
173.13248	10.9
175.11171	88.9
176.11508	2.0
177.05421	6.3
177.09096	4.7
177.12726	3.3
178.06247	7.6
178.95992	1.9
182.10912	9.0
187.11183	3.5
187.14806	22.4
189.06888	2.7
189.12846	2.3
190.07742	2.5
191.07051	2.2
191.14296	5.9
197.13242	16.8
203.14372	2.4
205.10074	3.1
205.12227	2.6
205.15790	7.6
215.14304	43.7
233.09441	5.7
233.11583	8.2
233.15337	100.0
254.77338	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58582	1.3
55.01857	2.0
55.05495	5.2
57.03429	1.6
67.05499	9.5
69.03408	1.9
69.07050	2.3
70.93403	2.0
71.04982	6.3
77.03952	1.2
79.05486	13.1
81.07050	19.1
83.04979	6.8
85.06525	2.6
91.05471	26.6
93.06519	2.2
93.07038	22.1
95.04955	14.5
95.08598	13.8
97.06512	4.5
105.07018	37.1
107.04925	2.2
107.08586	12.9
107.19250	1.3
109.06491	9.2
109.10156	2.6
115.05448	2.5
117.07014	22.9
119.08567	32.6
121.06505	7.7
121.10143	7.6
123.08039	4.6
128.06215	3.0
129.06987	8.4
131.08553	34.4
133.06482	4.6
133.10115	20.9
135.08009	5.6
135.11642	2.4
137.09558	2.3
141.06929	2.9
142.07751	8.4
143.08551	9.7
144.09346	2.0
145.06490	3.2
145.10120	24.9
147.08034	5.9
147.11664	18.9
149.09612	4.0
155.08562	5.0
156.09294	2.0
157.10115	20.9
158.10794	1.8
159.08072	6.6
159.11687	27.1
161.09558	10.4
161.13208	2.8
163.11154	3.7
163.14798	5.1
169.10144	2.8
171.11636	7.1
173.09607	6.4
173.13232	12.7
175.11172	71.1
177.12749	4.4
182.10912	3.0
187.11208	1.4
187.14787	16.1
188.15152	1.6
189.12675	1.7
190.98656	1.8
191.14334	9.4
193.12274	3.4
197.13216	11.0
205.15880	4.3
215.14302	26.9
216.14699	1.3
233.15341	100.0
234.15765	2.6
236.60008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03930	2.9
55.05515	13.6
57.03411	3.0
57.07045	7.3
62.29697	2.4
67.05493	13.8
69.03405	5.8
69.07078	13.0
71.04967	8.7
71.43748	3.0
79.05482	22.8
81.03345	2.8
81.07056	37.1
83.04970	4.7
83.08606	11.4
85.06511	2.8
91.04942	4.4
91.05464	46.0
93.07043	31.3
95.04955	12.4
95.08599	28.9
97.06495	3.8
99.73688	2.4
103.05450	3.6
105.06357	3.5
105.07020	49.4
107.04934	5.3
107.08570	34.9
109.06516	5.4
109.10120	12.0
111.08044	4.5
115.05449	3.9
116.79766	2.3
117.07001	32.8
119.04911	4.8
119.08569	53.1
121.06461	7.1
121.10148	19.7
123.04358	2.7
123.08009	3.9
123.11680	2.8
125.05968	4.5
129.06956	7.1
130.07762	2.8
131.04947	2.4
131.08557	44.2
133.06396	3.5
133.10112	28.8
135.04384	3.2
135.08044	14.1
135.11653	15.6
137.05946	10.2
137.09645	2.8
139.07512	3.5
141.06990	2.7
142.07736	4.2
143.08534	8.0
144.09372	4.8
145.06416	6.4
145.10098	51.9
147.08005	4.5
147.11647	14.5
149.06007	5.8
149.09564	3.8
149.13283	5.2
151.07553	5.6
155.08501	7.3
157.10115	7.6
158.10904	3.9
159.08089	18.6
159.11681	51.7
161.09567	4.1
161.13248	68.3
163.07558	12.5
163.11131	2.7
167.08458	3.8
169.10107	4.0
171.11575	4.1
172.12486	3.1
173.09595	24.8
173.13226	6.6
175.11240	14.2
177.09119	19.4
177.12730	8.9
180.30479	2.4
182.10892	4.6
182.42378	2.5
187.11186	7.7
187.14792	71.4
188.15036	3.8
189.16347	3.7
191.10651	7.9
191.14218	3.6
197.13272	10.4
205.08432	2.9
205.12206	9.5
205.15770	4.0
215.10652	5.7
215.14299	55.6
215.17792	3.6
233.11629	9.6
233.15324	100.0
233.19034	5.0
233.22986	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	233.1534
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03925	2.7
53.51484	1.9
55.01852	2.3
55.05502	7.2
57.03415	3.4
65.77617	1.9
67.05501	9.8
68.51463	1.8
69.03408	6.8
69.07063	3.2
69.20850	2.2
70.80625	3.1
71.04978	3.2
72.37185	2.0
75.25195	2.3
79.05481	12.1
81.07053	43.5
83.04967	3.7
85.06525	5.8
91.05457	16.0
93.07035	18.1
95.04971	20.8
95.08595	17.7
97.06506	8.0
98.97539	2.4
103.05411	2.5
105.07020	85.8
106.07343	2.6
107.04898	2.1
107.08572	23.1
109.06491	8.8
109.10151	14.3
111.08079	4.7
115.05424	3.7
117.06995	13.7
119.04879	2.4
119.08566	33.6
121.06502	5.2
121.10125	10.2
123.08038	4.5
125.05933	4.0
128.06209	3.3
129.06960	6.3
130.07756	2.6
130.53410	2.2
131.08546	40.3
133.06512	3.3
133.10114	19.7
135.08038	6.7
135.11678	4.3
137.09593	2.8
139.07565	3.3
141.06927	2.9
142.07809	15.8
143.08545	11.4
144.09293	5.1
145.06471	4.1
145.10098	54.5
147.08040	8.4
147.11671	32.1
149.09579	5.3
153.09062	2.0
155.08545	4.1
156.09335	4.8
157.10107	39.6
158.10857	4.8
159.08133	10.5
159.11678	80.2
160.08751	3.7
160.12244	2.4
161.09616	32.3
161.13225	3.1
163.11142	3.7
167.08513	2.8
169.10144	3.4
171.11665	7.4
173.09593	11.7
173.13257	19.0
175.11162	46.2
175.14769	2.6
177.09087	4.5
177.16338	2.9
182.10939	10.7
187.14798	48.6
189.12624	5.0
191.10638	3.2
191.14304	3.2
197.13228	15.4
205.06485	14.0
205.08148	2.6
205.15868	3.6
213.79105	2.5
215.14268	40.7
233.05952	8.2
233.15334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Nootkatin
Peak:m/z	Relative Intensity
58.99345	0.8
71.43929	0.8
87.90596	0.8
91.05471	1.7
93.07038	2.9
93.88692	0.8
105.07027	1.8
110.30859	0.8
121.06509	1.5
121.10141	3.0
131.08563	2.8
135.08063	0.7
135.11656	0.8
146.65088	0.7
149.09624	3.5
159.08096	0.9
162.06773	2.8
177.09099	100.0
178.06194	1.8
178.09471	1.2
178.96042	2.0
179.08595	1.7
189.07011	5.8
190.07753	11.7
203.08357	1.2
204.09395	1.1
205.10117	11.0
205.11879	1.4
215.08513	1.3
218.07297	1.5
233.09599	19.4
233.11638	1.5
233.15317	14.9
233.19005	1.6
235.85385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	alantolactone
Peak:m/z	Relative Intensity
55.01865	0.4
55.05512	1.1
55.07230	0.3
56.74037	0.2
57.03431	0.3
57.07062	0.3
65.03922	0.4
67.05499	4.1
69.03422	0.9
69.07064	1.7
69.55603	0.4
69.55991	0.6
71.04980	0.4
79.05484	2.3
81.07051	8.6
83.05000	1.1
83.08628	0.4
91.05477	1.9
93.07047	2.5
95.04971	2.3
95.08598	4.0
97.06516	0.9
103.05466	0.3
105.07024	3.1
107.04927	0.4
107.08585	2.4
109.02903	0.3
109.06516	1.6
109.10137	2.2
111.08043	0.5
115.05518	0.2
117.07029	0.8
119.08571	2.7
121.06486	1.0
121.10125	2.6
123.08052	2.0
123.11661	0.4
125.09598	0.4
129.07018	0.2
130.07817	0.3
131.08563	2.6
133.06505	0.5
133.10120	1.3
134.07253	0.3
135.08026	2.7
135.11707	0.5
137.05992	0.3
137.09610	1.7
139.07535	0.4
142.07809	0.2
143.08531	0.6
145.06462	0.8
145.09111	0.4
145.10121	4.0
147.08038	0.7
147.11670	2.2
149.05977	0.7
149.09621	2.9
149.13225	0.3
151.07532	9.5
153.09079	2.5
157.10056	0.5
158.10904	0.3
159.08037	2.2
159.11665	1.3
161.05899	0.4
161.09567	0.3
162.06740	0.5
163.07529	4.7
163.11125	1.1
163.14809	0.5
164.08261	0.4
165.09119	2.2
172.12402	0.2
173.09589	1.0
173.13271	1.0
175.07489	1.3
175.11153	0.8
177.09090	3.0
177.16380	0.4
178.09892	1.3
187.11180	0.3
187.14828	2.3
187.51659	0.3
189.03314	0.2
189.09097	0.3
190.13504	0.6
191.10651	0.5
191.14299	1.8
197.13257	0.5
200.11974	0.3
201.12735	1.1
203.10649	0.9
205.15880	2.4
215.10747	0.3
215.14284	1.9
218.13010	4.2
233.15341	100.0
234.15697	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94438	1.6
53.03963	2.3
55.05504	7.1
57.03427	2.6
57.07089	2.0
57.40984	1.8
67.05498	13.2
69.03416	4.1
69.07072	5.3
71.04990	4.9
71.42312	1.7
79.05495	11.1
81.07050	37.1
83.04974	4.0
85.06530	5.1
89.75567	1.6
91.05466	18.7
93.07047	19.6
95.04951	16.8
95.08585	15.4
97.06522	6.5
99.04462	2.4
101.34056	1.8
105.07018	83.3
106.07301	2.2
107.04936	4.8
107.08575	23.3
109.06506	6.7
109.10144	9.7
111.08092	2.4
115.05428	3.9
117.07024	18.7
119.08564	32.2
121.06472	10.0
121.10155	10.7
123.08052	4.7
125.05963	2.5
128.06203	3.6
129.06999	7.6
130.07761	3.9
131.08556	45.1
133.06490	3.3
133.10114	19.7
135.08061	6.3
135.11664	4.2
139.07513	2.6
141.07001	4.6
142.07779	18.6
143.08533	14.9
144.09329	7.0
145.06480	3.8
145.08965	3.3
145.10114	57.5
146.07338	2.4
147.08022	6.9
147.11678	36.2
149.09619	4.5
149.13286	2.6
151.07558	2.3
155.08542	6.5
156.09390	3.7
157.10121	46.7
158.10875	3.8
159.08060	8.0
159.11681	85.1
160.08783	2.7
161.09608	41.6
161.13272	4.8
163.07542	3.0
163.11115	3.5
163.14845	2.1
167.08479	2.2
169.10124	5.2
171.11662	7.1
173.09613	11.1
173.13263	20.2
175.11172	58.0
177.09007	6.2
177.12746	3.2
182.10889	5.8
187.11180	2.4
187.14809	38.3
189.12723	4.1
191.10654	2.8
191.14293	4.0
197.13255	10.0
205.04959	14.1
205.15831	6.5
209.00060	1.9
215.14284	34.8
233.04427	7.2
233.11580	3.9
233.15344	100.0
247.67416	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
55.05500	1.1
56.05028	0.4
57.07063	0.3
58.06596	0.3
65.03953	0.4
67.05499	1.9
69.03420	0.4
69.07059	0.9
69.56548	1.2
71.04984	0.4
79.05478	2.2
81.07047	9.3
83.04973	0.6
85.06511	0.3
88.07624	0.7
91.05467	4.0
93.07033	3.9
95.04939	0.9
95.08593	4.8
97.06520	1.2
103.05479	0.5
103.67590	0.2
105.07014	10.3
107.04974	0.5
107.08586	6.8
109.06501	0.9
109.10139	0.4
115.05459	1.1
116.06211	0.4
117.07007	18.2
118.07820	0.6
119.06073	0.3
119.08559	7.9
121.06485	1.1
121.10144	1.6
125.19680	0.3
128.06168	0.5
129.06982	2.6
130.07777	2.4
131.08553	23.6
133.10121	1.6
135.08011	0.9
135.11647	0.5
139.07487	0.5
141.06949	0.5
142.07787	1.8
143.08522	2.1
144.09328	6.8
145.10106	18.7
146.10477	0.4
147.11652	1.2
149.09579	0.3
153.09091	1.4
155.08525	0.4
157.10109	8.1
158.10854	1.2
159.11673	100.0
160.12360	2.9
163.07481	0.7
163.11122	0.3
171.11588	0.3
173.09651	1.4
173.13255	0.5
175.11191	2.4
177.09094	3.7
177.12701	1.3
177.16333	0.4
182.10989	0.4
186.18515	1.3
187.11209	0.7
187.14796	25.9
188.15239	0.7
191.10675	0.7
197.13231	0.9
205.15863	0.6
215.10739	0.4
215.14291	4.5
233.15332	21.8
234.15611	0.4
234.20593	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Mitchellene B
Peak:m/z	Relative Intensity
56.96542	2.7
69.03387	2.2
69.07061	2.4
70.15554	4.2
70.15884	2.6
81.07057	2.2
87.45464	1.7
91.05455	10.0
93.07033	6.1
98.22829	3.2
105.07005	8.1
107.08543	3.2
107.73171	2.1
116.06170	2.4
116.98615	3.7
117.07040	3.6
119.08543	2.2
121.06502	9.1
121.10122	6.7
129.07028	2.9
131.08575	15.4
135.08043	4.1
136.94992	2.3
141.06940	2.9
143.08548	2.7
144.09343	3.3
145.06462	2.3
145.10104	14.5
146.25761	2.0
147.46268	2.0
149.05969	3.1
149.09586	4.0
155.08511	4.3
158.07253	4.3
159.08052	47.9
159.11687	12.2
162.06717	2.8
172.08801	9.1
173.09624	16.0
174.10381	3.0
175.07484	5.4
177.09100	98.9
178.96069	4.4
186.95268	2.7
187.11160	12.5
187.14848	2.5
190.07793	2.8
190.09837	4.8
191.10625	9.5
205.10304	4.0
205.12216	86.0
206.12538	2.4
215.14249	10.0
221.12846	1.9
233.09515	8.5
233.15341	100.0
234.15623	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1123
Annotation	Phyllantidine
Peak:m/z	Relative Intensity
51.02371	0.3
53.03937	0.3
53.24149	0.1
55.54307	0.1
67.05483	0.2
69.03414	0.2
69.07054	0.1
70.69051	0.3
77.03901	0.7
78.21281	0.1
79.05486	5.9
81.07043	0.4
84.04505	0.4
85.02885	1.0
91.05455	0.2
93.07044	0.2
93.19701	0.1
94.62546	0.1
95.04974	1.4
102.05531	0.3
103.05456	4.2
105.07018	100.0
106.07339	1.4
107.08562	0.2
109.06512	0.2
112.25687	0.1
119.08538	0.2
122.09649	1.1
129.56339	0.2
130.04993	1.8
133.10199	0.2
134.34941	0.1
141.80994	0.2
145.10031	0.2
156.09271	0.1
159.11714	0.2
191.14268	0.2
203.02533	0.2
206.11748	0.5
217.15695	0.2
234.11221	48.4
235.11543	1.1
235.16870	0.6
247.17192	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	234.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05028	12.6
57.06780	0.4
57.07066	7.3
58.06590	6.8
59.03719	0.2
60.04513	1.9
66.27625	0.2
68.05026	1.0
68.92404	0.2
69.07065	0.8
71.08619	4.9
74.06067	11.1
86.06055	1.5
88.07616	32.8
90.05544	0.4
104.07096	1.0
112.69157	0.2
118.08633	5.8
122.08122	7.8
137.13300	0.2
154.15907	0.4
172.16949	0.3
186.18498	55.5
187.18906	1.0
216.19553	1.6
234.20593	100.0
235.20952	1.6
252.12729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.9171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38817	1.5
70.12808	3.1
94.93014	2.0
136.94012	100.0
147.56628	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	37.0
56.05013	1.2
56.96566	2.5
57.03436	1.9
57.06799	2.3
57.07069	14.3
57.57501	1.4
59.04995	12.3
59.89491	1.1
61.02925	20.2
67.05499	3.9
70.06580	2.0
70.87440	1.1
71.01347	31.8
71.16412	1.2
71.41687	1.4
72.08144	3.0
73.02917	1.4
75.04476	49.1
75.76160	1.2
81.07034	1.2
84.04506	5.5
84.08131	2.8
85.02919	2.3
85.51144	1.3
87.04459	100.0
88.04771	1.3
88.07642	1.4
89.06013	4.7
91.05476	1.6
98.97558	10.1
103.03932	97.3
105.07008	1.6
106.06553	23.9
109.06571	1.3
109.10146	1.9
109.64159	1.4
115.05466	2.0
116.98606	9.3
129.01866	1.2
131.03395	36.6
134.99670	6.8
143.04903	2.1
144.08032	1.3
146.08107	2.5
147.04352	2.2
161.04465	29.5
161.05948	4.4
171.09146	16.1
172.07568	1.6
175.02397	3.9
179.10638	8.6
179.12033	1.3
189.03868	3.2
189.05447	4.2
213.47572	1.3
217.03447	8.7
217.09648	11.2
218.08102	2.1
222.63454	1.5
228.90891	1.3
233.75099	1.5
234.18015	1.5
235.10750	6.1
235.16893	38.4
252.92863	1.6
252.96318	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0576
Annotation	Benzo[b]naphtho[2,1-d]thiophene
Peak:m/z	Relative Intensity
55.05505	7.3
55.19881	5.2
57.07067	32.2
65.79030	5.6
69.27988	34.1
71.04956	7.7
81.07048	14.5
87.23617	6.0
91.05479	18.1
93.07036	13.4
95.08599	10.5
105.07031	22.4
107.08582	12.3
113.96396	7.3
117.07019	9.0
119.08559	18.0
125.97538	6.3
128.06239	8.8
131.08627	10.2
144.05565	6.0
144.28062	6.2
145.06500	6.0
147.07913	7.4
147.11684	10.1
167.50063	7.7
171.06590	8.7
175.07631	7.6
175.11212	10.0
179.10675	20.9
187.07535	8.1
189.09212	8.9
189.12700	7.5
189.16318	7.6
205.02774	13.4
217.12122	11.1
235.05750	100.0
235.07861	8.0
235.13248	15.4
235.16812	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	235.0963
Annotation	Swerilactone M
Peak:m/z	Relative Intensity
55.01867	10.8
55.05529	1.9
57.03439	1.4
57.07068	1.5
67.05506	4.7
69.07076	1.3
69.07414	2.6
69.07826	4.3
76.95351	1.0
77.51398	1.0
79.05499	5.0
81.03447	1.9
81.07056	7.8
83.04962	1.2
85.02993	1.1
85.06533	1.9
86.93725	1.2
88.48423	1.0
89.06053	3.3
91.05482	7.2
93.07056	5.4
95.04947	1.4
95.08597	4.2
98.23424	2.8
101.19003	1.0
103.05464	16.7
105.07032	11.7
106.06544	2.6
107.04947	1.9
107.08591	5.6
109.06508	2.4
109.10175	1.1
111.08118	1.5
115.05442	9.4
116.06210	1.4
117.07018	16.0
119.08582	7.8
121.06462	6.3
121.10164	2.5
123.08085	2.5
128.06213	28.3
128.07172	1.4
129.06995	80.0
130.07248	1.3
131.04924	21.2
131.08583	6.1
132.05722	1.3
133.06488	3.3
133.10097	6.5
135.08029	1.1
135.11676	2.0
137.05963	5.8
142.07756	2.0
143.04926	3.1
143.08575	4.3
144.05675	8.2
145.06477	30.9
145.07585	2.0
145.10120	3.7
146.03633	2.4
146.07254	4.8
147.04413	3.6
147.08060	2.9
147.11688	4.2
148.05176	1.2
149.09618	1.7
151.07578	1.5
155.04915	10.0
155.06053	5.6
156.05582	1.3
157.06480	100.0
157.10037	5.2
158.07181	4.6
159.04375	2.0
159.11681	5.0
160.05208	4.6
161.05984	7.9
161.09669	2.5
161.13255	2.7
162.06758	12.7
163.07530	17.2
164.04720	1.5
171.11708	2.1
172.05170	3.0
173.05981	5.2
174.06750	32.6
175.07524	13.2
175.11070	1.7
175.14806	2.9
176.08337	1.6
177.09090	13.4
177.12628	1.5
179.07004	12.2
185.06001	7.4
187.07536	14.1
189.09091	99.2
189.12689	3.4
189.16376	2.8
190.06223	23.6
190.09509	2.9
199.07555	3.8
199.11182	2.4
199.14838	2.8
202.06303	3.0
205.08591	65.4
206.08957	2.0
207.10152	10.1
215.08162	1.3
217.08565	46.1
217.12271	4.7
217.15834	6.3
218.08934	1.4
234.20673	1.1
235.09602	25.1
235.13351	3.3
235.16956	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	235.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
57.07061	0.2
69.03413	0.2
70.01225	0.4
73.65532	0.2
78.49590	0.2
81.03355	0.2
92.56037	0.2
115.05440	0.6
129.06966	0.3
141.06950	0.3
141.64859	0.2
142.07727	1.1
145.30812	0.1
152.06200	0.7
155.08586	0.4
161.77620	0.1
165.06985	5.2
166.07785	1.3
167.08545	2.8
169.06375	0.2
176.06215	0.6
177.06981	2.5
177.22476	0.2
177.86435	0.2
178.07755	5.0
179.08542	6.4
181.06441	0.5
189.06987	0.6
190.07739	0.8
191.08540	11.2
192.09322	47.7
193.06406	0.4
193.10031	3.3
194.07259	12.8
195.08093	1.7
201.06889	0.3
202.07762	19.0
203.08430	1.7
205.06442	3.0
205.10057	0.5
206.07265	0.8
206.10954	0.8
207.08119	4.8
207.11670	17.3
208.08614	0.3
208.12009	0.5
215.08563	1.7
216.09334	1.4
217.10112	7.9
218.07208	0.7
218.10632	0.4
219.08032	6.7
220.08818	21.9
221.09323	0.7
233.09663	0.5
234.10378	1.2
234.42723	0.2
235.11153	100.0
236.11476	2.8
245.10793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
57.07069	0.9
57.32764	0.3
81.07072	0.4
91.05475	0.4
93.07045	0.5
95.08592	0.4
105.07037	0.3
107.08633	0.4
115.05448	0.4
119.08553	0.7
129.06979	0.4
142.07771	1.0
152.75497	0.3
164.06276	0.5
165.06989	2.6
166.07762	0.9
167.08502	0.6
176.06119	0.5
177.06808	0.4
178.07780	3.9
179.08543	7.5
182.17775	0.3
183.90318	0.3
189.06940	1.8
190.07791	2.7
191.08542	16.2
192.09323	68.3
193.09918	3.4
194.07164	0.4
202.07764	26.7
203.08461	3.4
205.06456	3.7
205.10100	1.4
206.07265	1.8
206.10910	0.6
207.08098	6.5
207.11671	21.0
208.08682	0.3
208.12032	0.6
215.08577	1.1
216.09418	1.7
217.07927	0.7
217.10097	10.8
218.07324	2.1
218.10806	0.5
219.08011	9.5
220.08810	27.0
221.09361	0.6
232.33762	0.4
233.09598	1.1
234.10359	0.5
235.11156	100.0
236.11465	2.7
245.10724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.02382	1.5
53.03926	4.4
55.01851	4.5
55.05267	1.5
55.05508	19.1
57.07062	2.9
65.03927	2.3
67.05499	16.7
69.03411	2.1
69.07057	7.1
69.33570	8.2
70.50934	1.5
71.04974	2.6
77.03924	3.4
79.05484	24.5
81.07054	44.8
83.04972	38.2
87.01645	1.5
88.38381	1.6
90.30965	1.4
91.05466	41.1
93.07038	27.7
95.04961	9.2
95.08597	50.9
97.06532	7.3
97.10182	1.7
103.05448	6.2
105.04473	1.7
105.07026	44.7
107.04946	4.4
107.07927	2.3
107.08588	27.3
108.37383	1.5
109.02833	2.1
109.06501	10.8
109.10141	5.1
111.04433	17.9
111.08032	2.7
115.05432	4.2
117.07008	17.8
119.04922	1.9
119.08572	37.5
121.06499	9.6
121.10129	4.7
123.04433	4.2
123.08057	6.6
125.05989	4.9
127.07544	2.5
128.06201	8.7
129.07002	17.9
130.07782	3.3
131.08554	46.4
133.06512	3.3
133.10117	13.9
135.04416	3.9
135.08057	5.3
137.05954	11.3
137.09558	3.4
139.03920	4.0
141.06955	4.8
142.07742	7.6
143.08554	29.5
144.09277	3.6
145.06418	3.4
145.10114	26.7
145.28487	1.6
147.04344	2.3
147.08041	9.1
147.11626	12.9
149.05989	3.6
149.09586	2.9
149.13289	2.2
151.07469	2.8
153.05446	26.3
154.12611	1.6
155.08577	1.6
156.09322	27.5
157.06462	1.8
157.10149	11.1
158.10954	10.0
159.08041	7.0
159.11647	8.4
161.05954	6.0
161.09633	4.5
161.13249	14.2
163.07530	1.8
165.05460	15.2
165.12785	4.0
171.08031	2.9
171.11684	54.2
172.12463	2.1
173.13234	26.0
174.10344	1.7
175.07544	12.7
175.11183	7.9
175.14774	2.3
177.09087	2.6
181.10072	2.9
184.08751	3.1
187.07516	2.9
187.11165	2.2
189.09084	3.0
189.12720	27.6
193.12189	6.0
199.11165	32.9
199.14809	2.1
205.12267	3.6
207.13774	3.1
217.12209	95.7
217.15782	5.0
218.12529	2.1
234.10468	1.6
235.13261	100.0
235.16718	8.9
236.13542	3.4
236.59302	1.5
257.91888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
54.50045	4.0
55.05503	28.6
57.07064	11.0
62.66298	3.8
66.94131	3.5
67.05495	12.2
69.03418	4.0
69.07061	5.9
69.09974	3.4
69.94678	11.5
71.04992	6.2
79.05484	29.5
81.07050	37.9
82.27118	3.3
83.04976	37.4
85.06516	4.0
91.05462	36.2
93.07041	97.1
95.04960	9.6
95.08585	28.6
97.06515	4.8
98.23351	3.8
99.04461	3.8
105.07012	44.1
107.08582	100.0
109.06506	10.5
109.10147	13.0
113.96362	4.4
117.06960	9.0
119.08578	32.5
121.10120	15.2
129.26225	3.5
131.08554	14.9
133.10123	20.8
135.11678	50.3
143.08534	9.2
144.09352	7.1
145.10141	7.1
147.11719	11.8
149.13217	12.8
157.10110	17.0
159.11685	67.5
161.09602	7.6
161.13239	26.3
173.13255	5.9
175.14799	7.7
177.12740	38.5
179.06961	3.9
179.10692	7.2
189.12662	3.9
189.16382	16.5
199.14771	15.7
217.15846	32.3
218.45517	3.6
235.13252	5.8
235.16869	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	alpha-Santalene-12-oic acid
Peak:m/z	Relative Intensity
55.05493	6.4
57.07059	6.0
67.05486	11.9
69.07056	8.6
71.04978	8.1
72.93785	3.6
79.05477	12.8
81.07036	28.9
85.06532	6.7
87.51110	2.8
91.05467	18.1
93.07034	31.6
93.11191	2.8
95.04946	9.2
95.08604	26.0
95.80083	2.7
97.06522	7.8
99.04449	4.2
100.48165	2.7
105.07019	57.7
107.08577	37.3
109.06506	10.4
109.10139	13.3
111.08064	4.4
113.96376	4.3
117.06993	8.8
119.08565	50.5
121.06464	6.9
121.10127	20.9
123.08034	8.4
129.07059	4.4
131.08536	13.4
131.97462	3.4
133.10117	30.0
135.08014	7.5
135.11690	13.2
137.09555	3.5
142.07777	6.5
143.08554	10.2
144.09319	8.0
145.10049	6.3
147.11679	17.0
149.09662	6.5
149.13239	17.5
157.10136	22.3
159.11676	100.0
161.09598	12.1
161.13245	47.5
171.11707	3.2
173.13132	6.9
175.11157	7.0
175.14827	13.5
177.12724	57.4
177.14111	2.3
179.10539	3.5
189.16368	14.7
195.13852	6.3
199.14769	25.3
211.93982	3.1
217.15871	43.8
235.13136	6.5
235.16898	95.0
235.18768	3.6
240.00450	2.9
259.79218	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	235.169
Annotation	alpha-Santalene-12-oic acid
Peak:m/z	Relative Intensity
55.05500	8.8
57.07060	4.5
67.05499	18.5
69.03424	3.0
69.07066	13.8
71.04973	7.3
79.05480	19.3
81.07052	42.5
83.04960	2.9
83.08597	5.0
85.06532	7.1
91.05463	22.6
93.07037	35.6
95.04968	11.4
95.08599	29.9
97.06514	9.1
105.06344	4.6
105.07015	62.0
107.08587	45.9
109.06499	13.2
109.10134	11.5
111.08068	3.8
113.96379	5.3
117.06992	9.8
119.08570	54.2
121.06493	9.3
121.10108	22.1
123.08058	6.1
128.06201	3.9
129.07011	5.0
131.08568	21.9
131.97432	3.3
133.10104	38.2
135.08080	6.0
135.11678	12.6
137.09628	2.9
142.07751	5.3
143.08556	9.8
144.09312	8.8
145.10106	9.5
147.07909	2.8
147.11668	21.2
149.09654	5.4
149.13280	19.0
157.10132	21.7
159.10353	5.1
159.11667	100.0
160.11974	2.9
161.09625	4.5
161.13249	48.2
163.11182	2.8
171.11649	4.0
173.13263	7.3
175.11198	10.3
175.14848	8.4
177.12730	67.3
178.13121	3.1
179.10602	3.3
189.12741	3.6
189.16356	16.4
191.14244	2.7
195.13757	7.0
195.51118	2.3
199.14780	21.4
217.15842	42.8
217.17787	4.0
235.16895	92.3
235.18791	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	235.1692
Annotation	Rishitinol
Peak:m/z	Relative Intensity
52.23578	1.3
55.05511	6.3
57.07064	3.5
65.03943	1.3
67.05508	10.6
69.03420	1.8
69.07055	6.4
71.04986	8.1
71.19643	1.1
77.03884	1.1
79.05483	14.5
81.07053	31.8
83.04972	2.4
83.08620	1.7
85.06524	10.7
91.05470	20.3
93.07034	28.3
95.04953	6.6
95.08603	23.8
97.06526	6.6
97.10152	2.1
99.04440	3.6
99.08083	1.6
105.07021	53.7
107.08582	35.1
109.06510	10.8
109.10136	8.4
111.08060	3.1
113.05969	1.8
117.07008	9.1
119.08574	36.6
121.06482	4.4
121.10139	13.6
123.08054	6.3
123.11700	1.5
125.09615	3.1
128.06206	2.1
129.07007	5.2
130.07764	1.5
131.08553	18.6
133.10117	29.9
135.08040	4.0
135.11679	10.9
137.09633	1.8
142.07762	5.2
143.08560	11.9
144.09334	8.9
145.10127	6.8
147.08090	2.3
147.11693	11.8
149.09601	2.2
149.13223	14.2
157.10109	24.3
159.11687	100.0
161.09590	8.2
161.13246	33.1
163.11206	2.7
165.12793	2.7
169.10156	1.9
171.11684	5.2
173.13206	6.8
175.11218	5.8
175.14796	7.8
177.12738	49.1
179.10663	2.2
189.12726	2.7
189.16405	11.2
191.14310	1.7
193.15814	1.4
195.13838	3.0
199.13054	2.2
199.14809	29.9
217.15874	43.9
218.16164	1.3
235.16904	90.9
236.17210	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	alpha-Santalene-12-oic acid
Peak:m/z	Relative Intensity
55.05507	10.5
57.07051	14.0
67.05489	16.7
69.03436	4.5
69.07055	11.8
69.21644	28.4
71.04972	8.0
78.37904	4.9
79.05481	15.4
81.06644	5.5
81.07050	39.9
85.06519	14.1
91.05479	25.2
93.07059	35.9
95.04973	11.4
95.08582	32.1
105.07012	71.7
107.08578	38.2
109.06510	8.5
109.10143	13.8
112.84864	5.5
117.06999	19.2
119.08578	59.7
121.06475	11.8
121.10117	16.5
123.08065	6.1
131.08522	20.7
133.10126	33.8
135.08070	5.2
135.11649	13.9
142.07809	6.8
143.08540	14.0
144.09282	7.3
145.10112	11.3
147.11653	13.7
149.13232	18.1
157.10089	24.8
158.10950	5.8
159.11674	97.6
160.12030	6.1
161.09622	8.7
161.13242	54.8
172.73651	4.6
175.11194	8.8
175.14796	11.2
177.12720	72.0
178.07736	6.7
179.08492	17.6
179.10583	6.0
189.16364	19.3
191.08569	9.5
192.09315	28.3
195.13788	7.3
197.09520	4.9
199.14793	25.5
202.07759	10.3
207.08055	6.8
207.11757	15.0
217.10016	8.9
217.15880	55.8
219.07999	9.1
220.08720	30.7
235.07530	15.9
235.11137	90.0
235.13327	11.2
235.16867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	Terrecyclol
Peak:m/z	Relative Intensity
53.03926	2.7
55.05502	15.8
57.07061	6.0
58.30245	2.0
67.05504	17.6
69.03429	11.7
69.07060	23.8
69.41492	9.4
71.04976	4.2
71.51026	2.0
75.21740	1.8
79.05489	20.9
81.03394	5.3
81.07050	59.1
83.04972	2.9
83.08613	2.4
85.02883	2.5
85.06533	5.0
85.10918	2.3
91.05463	21.2
93.07033	48.6
95.04952	7.6
95.08595	37.1
97.06518	13.7
99.04423	4.0
105.07020	57.3
107.04972	3.7
107.08588	51.6
108.08924	2.8
109.06487	8.4
109.10147	18.3
111.08071	4.7
115.05456	2.4
117.07007	9.8
119.08565	42.1
121.06469	5.3
121.10125	30.2
123.08041	7.9
123.11680	3.8
125.09640	2.3
128.06223	7.7
129.06985	18.4
131.08521	16.7
133.06491	2.3
133.10117	35.0
135.08009	9.8
135.11681	50.7
136.06128	7.4
137.06516	6.5
137.09570	6.0
139.11172	16.2
140.69427	2.1
142.07756	9.6
143.08546	10.1
144.09325	4.3
145.06499	3.4
145.10104	19.9
147.08015	7.1
147.11681	19.0
149.09601	5.1
149.13200	5.2
151.11203	2.5
155.10590	4.1
156.09340	3.7
157.06453	9.8
157.10110	26.3
159.08080	2.8
159.11678	40.2
161.09601	20.5
161.13213	9.1
163.11156	12.9
165.12752	5.4
171.11708	5.2
173.13246	7.1
174.06812	3.9
175.07530	3.5
175.11176	18.3
175.14775	11.6
177.12727	24.3
179.10680	5.4
187.14737	6.4
189.09087	8.7
189.12723	4.9
189.16356	10.2
191.12543	3.9
191.14279	64.6
193.12276	2.9
193.15874	6.5
199.14813	19.4
204.70984	2.3
205.15839	5.8
205.32828	2.5
217.08452	3.4
217.12450	3.2
217.15849	56.2
235.09639	13.4
235.13570	13.9
235.16893	100.0
236.17307	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	235.1691
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
55.05509	12.0
57.03421	1.5
57.07048	5.6
59.04998	1.8
67.05504	18.2
69.03424	20.9
69.04398	1.4
69.07063	17.9
69.87635	1.4
71.04964	4.9
71.44012	1.6
73.02921	2.9
79.05482	15.5
81.03411	1.4
81.07053	49.5
83.04964	4.5
83.08617	2.9
85.02913	4.2
85.06528	3.8
91.05470	19.0
93.07039	37.4
93.76743	1.5
95.04984	9.9
95.08595	28.5
96.04443	1.7
97.02850	1.6
97.06530	12.5
99.04456	2.0
99.08085	1.7
105.04460	2.0
105.07021	38.9
107.04930	2.1
107.07845	1.7
107.08582	34.5
109.02714	1.4
109.06512	8.4
109.10147	15.6
111.08054	6.3
113.06009	2.0
115.05413	2.4
117.04495	1.9
117.06995	8.2
119.04963	2.1
119.08559	27.4
121.06454	6.0
121.10123	17.8
123.04436	1.8
123.08060	7.2
123.11700	3.8
125.09659	1.8
126.01018	8.5
128.06236	5.2
129.06999	12.0
130.00494	2.4
130.07758	1.9
131.04880	3.0
131.08551	14.2
131.47147	1.5
133.06557	1.6
133.10109	29.9
135.08058	9.0
135.11684	35.2
137.09642	7.0
139.11179	9.3
141.07004	1.8
142.07758	4.9
143.08548	7.7
144.05583	6.1
144.09338	3.1
145.06480	3.6
145.10124	11.7
147.04364	2.4
147.08054	3.7
147.11653	17.8
148.05019	2.2
149.09615	5.0
149.13246	5.9
151.07527	1.7
151.11182	5.2
152.01376	3.3
155.10635	2.1
157.06496	10.0
157.10121	19.6
159.11674	26.6
160.05061	2.0
161.09619	16.3
161.13219	6.9
163.07455	1.7
163.11151	5.1
164.70084	1.4
165.12733	6.5
167.00082	6.0
169.05069	1.3
171.06645	38.9
171.08110	2.2
171.11707	5.7
173.05937	1.8
173.13260	4.7
174.06790	3.7
175.07529	4.8
175.11154	14.4
175.14813	8.8
177.12718	20.5
179.10651	5.0
185.01167	2.8
185.06004	4.1
187.07527	3.2
187.14799	5.1
189.09111	5.9
189.12759	3.6
189.16374	10.3
191.14294	43.8
193.12175	1.5
193.15865	5.8
199.07451	2.8
199.14780	9.3
202.06221	1.6
205.02737	38.2
205.04590	2.6
205.15910	3.9
206.03484	2.1
217.08516	10.2
217.12354	2.7
217.15865	38.7
235.09570	8.6
235.13240	5.5
235.16911	100.0
236.17242	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	235.169
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
55.05504	3.1
57.07066	1.2
57.59841	0.6
67.05500	3.8
69.03423	0.8
69.07059	4.7
69.34731	2.6
70.75184	0.5
71.04985	1.3
79.05479	3.9
79.83250	0.5
81.07048	13.2
83.04967	1.0
83.08607	2.1
85.06535	1.0
91.05466	4.7
93.07035	9.5
94.06567	1.3
95.04957	2.0
95.06897	1.0
95.08595	11.6
97.06512	3.9
97.10139	0.8
105.07018	21.8
106.16257	0.5
107.08585	21.2
109.06488	7.1
109.10149	4.6
111.08047	3.0
117.06997	1.8
119.08570	27.4
121.06483	1.8
121.10136	7.4
123.08055	2.7
123.11700	0.9
124.44783	0.7
129.07007	0.7
131.08557	6.0
133.10120	16.3
133.11148	0.8
135.08041	1.9
135.11656	1.9
137.09593	1.2
142.07732	2.1
143.08545	3.7
144.09344	0.9
145.10112	5.5
147.07990	0.6
147.11662	6.9
149.09572	1.1
149.13219	1.6
153.08997	0.8
157.10124	9.3
158.10841	0.9
159.11682	10.1
161.09573	2.6
161.13246	21.9
163.11179	2.1
163.14832	4.5
171.11694	3.6
173.13245	8.0
175.11176	1.3
175.14806	6.6
177.12675	2.7
179.10634	1.7
187.14775	1.5
189.16362	19.4
191.14279	2.9
199.14795	11.0
205.15779	0.6
207.17404	1.5
217.13718	0.6
217.15849	18.5
235.16899	100.0
236.17310	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	alpha-Santalene-12-oic acid
Peak:m/z	Relative Intensity
55.05504	8.0
57.07070	9.6
62.18294	2.7
67.05493	17.6
69.03431	2.9
69.07060	11.6
70.72125	3.3
71.04989	3.5
78.71399	3.0
79.05488	12.8
81.07061	35.0
83.08638	3.8
85.06532	11.6
91.05478	21.0
93.07035	36.4
95.04980	11.7
95.08594	25.9
97.06535	8.9
99.04458	3.4
105.07017	56.9
107.08591	32.9
109.06528	8.1
109.10139	10.1
111.08072	5.6
113.96407	11.6
115.05405	3.1
117.07023	12.9
119.08572	51.8
121.06511	5.7
121.10166	20.0
123.08083	8.8
129.07022	5.2
131.08525	19.1
131.97453	5.5
133.10132	27.4
135.08032	4.2
135.11682	12.0
142.07788	6.1
143.08559	8.7
144.09303	8.1
145.10086	6.1
147.11700	10.9
149.09566	4.1
149.13222	18.0
157.10095	16.0
159.11678	100.0
159.12932	6.1
161.09642	7.1
161.13240	40.6
164.75095	2.9
171.11748	3.6
173.13277	6.4
175.11195	10.7
175.14810	12.1
177.12738	60.0
189.16394	16.2
195.13762	4.9
199.14815	22.3
211.93839	3.4
217.15858	40.0
235.10855	7.0
235.13103	4.2
235.14882	5.2
235.16891	93.7
235.19055	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	235.1691
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
53.03933	4.8
53.98063	3.0
55.01873	6.1
55.05510	17.3
57.03428	5.8
57.05739	2.9
57.07077	14.3
60.10724	2.5
65.03941	4.2
67.05501	32.3
69.03431	7.9
69.07064	27.9
70.69041	2.5
79.05487	48.8
81.07053	96.4
83.01868	2.6
83.04971	5.3
83.08624	8.9
85.00311	2.7
91.05473	41.8
93.07035	75.4
93.07601	4.7
95.04972	15.5
95.08597	44.2
97.06537	10.8
103.05417	3.9
105.04539	3.5
105.07022	93.5
107.04948	8.7
107.08578	89.3
109.06507	37.4
109.10145	17.8
111.08063	10.8
115.05454	4.2
117.07016	14.4
119.08568	100.0
121.06508	37.3
121.10139	53.2
123.08067	14.5
123.11718	5.1
128.06242	3.9
129.06993	11.0
131.08548	45.2
133.06474	33.6
133.10117	52.9
135.08034	37.2
135.11684	34.8
137.09593	8.3
142.07761	15.8
143.08559	33.7
144.09297	4.2
145.06473	3.2
145.10089	19.4
146.07297	4.5
147.08023	23.5
147.11673	39.0
149.09634	15.1
149.13226	26.5
149.14128	2.8
150.13647	2.9
151.07498	4.6
153.09071	9.0
153.41432	3.3
156.09355	4.4
157.10107	36.8
158.10794	4.2
159.11684	33.0
160.08862	9.8
161.09612	48.6
161.13261	22.1
163.07437	5.0
163.11221	9.3
165.09090	4.4
169.10065	2.8
171.11679	14.3
173.13243	53.4
174.10362	6.0
174.13815	2.9
175.11188	59.8
175.12653	4.3
175.14799	37.8
177.12737	41.9
179.10660	21.2
189.12723	41.0
189.16336	19.1
191.14284	4.1
199.14799	48.8
207.26677	2.5
217.12360	6.5
217.15829	71.6
217.19475	7.4
235.11183	3.6
235.13266	6.5
235.16908	51.3
235.20689	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	237.1273
Annotation	9-Methoxy-1,7-dimethylphenanthrene
Peak:m/z	Relative Intensity
53.37664	0.2
55.05473	0.2
57.07060	0.2
67.05499	1.7
71.42947	0.2
77.03954	0.2
95.04948	0.3
108.04417	0.3
115.05449	0.4
118.30579	0.2
129.06979	0.3
137.49835	0.2
141.06958	2.0
145.86969	0.2
152.06183	3.0
153.06975	4.8
154.07739	0.5
155.08536	24.8
156.08876	0.7
159.08064	0.2
165.06976	27.3
166.06276	0.5
166.07759	26.8
167.08545	31.0
168.09131	1.3
169.06448	3.4
169.07709	0.4
169.10109	0.8
176.06146	0.2
178.07741	1.8
179.08534	40.2
180.09306	15.6
181.06654	1.5
181.10092	27.6
182.07281	0.8
182.10440	0.8
183.07990	0.3
189.06920	1.3
190.07779	1.5
191.08553	3.6
192.09291	2.3
193.10121	5.3
194.07281	3.7
194.10898	34.1
195.08032	12.2
195.11588	3.6
196.08800	4.5
202.07701	0.5
203.08511	1.5
204.09442	2.8
207.08214	0.9
207.09880	0.3
207.11632	1.9
208.08797	2.5
208.12219	0.2
209.09885	12.7
209.13220	96.6
210.09950	0.4
210.13556	2.6
219.08035	0.8
219.11699	3.5
221.05888	0.6
221.09354	0.3
222.06795	2.8
222.10464	1.8
223.20236	0.2
237.09081	34.0
237.12712	100.0
238.09567	1.1
238.13029	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	237.1272
Annotation	9-Methoxy-1,7-dimethylphenanthrene
Peak:m/z	Relative Intensity
55.01855	0.4
57.07077	0.4
59.04985	0.2
63.72261	0.2
67.05486	0.3
94.76777	0.2
95.04985	0.2
110.75648	0.2
111.14394	0.2
118.06472	0.2
151.07179	0.2
152.06148	0.3
153.06990	0.2
155.08551	0.4
165.06915	1.1
166.07701	0.6
167.08542	1.5
169.10069	0.3
177.07034	0.2
178.07739	3.3
179.08530	5.0
180.09261	0.7
181.04933	0.4
181.06480	0.9
181.10146	0.7
189.06984	0.5
192.09294	0.9
193.10091	4.2
194.07188	0.9
194.10880	2.1
195.08029	4.4
195.11688	1.3
203.08522	0.5
204.09296	0.8
205.06378	0.3
206.07286	0.5
207.08029	6.0
207.11624	2.1
208.08604	0.2
208.12399	1.0
209.11533	0.5
209.13222	0.8
213.85275	0.2
221.09583	23.9
222.10342	3.8
222.13879	1.7
228.62569	0.2
235.11142	4.3
235.13335	0.3
237.12708	100.0
237.16096	4.8
238.13057	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1273
Annotation	9-Methoxy-1,7-dimethylphenanthrene
Peak:m/z	Relative Intensity
55.01860	0.6
57.07066	0.6
61.94527	0.2
67.05492	0.3
69.30396	1.2
71.63123	0.2
75.40628	0.2
83.04973	0.4
83.91949	0.2
91.05569	0.2
95.08524	0.2
98.22763	0.3
111.04392	0.3
152.06236	0.2
153.05463	0.3
155.08507	0.5
158.65489	0.2
165.07007	1.0
166.07735	0.4
167.08556	1.6
176.90242	0.2
178.07715	2.3
179.08531	4.5
181.04901	0.5
181.06500	0.9
181.10080	0.5
189.07024	0.5
191.08627	0.3
191.10638	0.5
192.09361	0.6
193.10118	3.4
194.07178	1.0
194.10922	1.3
195.08044	4.3
203.08571	0.6
204.09322	0.4
205.06514	0.3
206.07291	0.9
207.08011	5.7
208.08334	0.2
209.09792	0.3
209.11725	0.8
219.11728	0.6
221.09590	24.2
222.10318	3.7
235.11151	4.4
237.12717	100.0
238.13068	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1274
Annotation	9-Methoxy-1,7-dimethylphenanthrene
Peak:m/z	Relative Intensity
56.96552	0.5
64.24739	0.5
67.05491	2.3
67.07291	0.4
70.55258	0.6
73.31312	0.5
74.79906	0.5
79.05511	0.5
91.05463	0.7
93.07037	0.5
107.08572	0.7
117.07033	0.5
124.39836	0.5
128.06180	0.8
129.06999	1.3
141.06979	1.6
143.08513	0.6
145.06528	0.7
152.06187	2.4
153.07047	3.1
154.07716	1.8
155.08530	23.5
162.18320	0.5
165.06989	17.5
166.07774	8.6
167.08571	10.3
168.09219	0.6
169.06395	3.4
169.10085	2.0
177.06837	0.6
178.07742	5.5
179.08540	36.4
180.09302	10.0
181.06500	4.2
181.10085	10.9
182.07227	1.0
183.08029	1.6
189.06981	11.5
190.07770	3.6
191.08559	7.0
192.06482	0.9
192.09320	1.8
193.06468	0.8
193.10085	5.4
194.07236	4.4
194.10886	18.0
195.08043	7.0
195.11626	2.1
196.08870	2.5
197.09619	1.4
202.07721	3.4
203.08530	20.3
204.09314	28.7
205.09920	1.3
207.08023	9.4
207.11481	1.0
208.08810	15.5
209.07578	0.9
209.09599	17.4
209.13199	12.6
210.10025	0.7
217.10065	1.1
218.10876	1.0
219.11667	43.3
220.12111	1.2
221.09509	2.6
222.10376	15.9
223.10788	0.8
237.12715	100.0
238.13048	3.3
245.15370	0.6
249.87650	0.5
252.66754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1274
Annotation	9-Methoxy-1,7-dimethylphenanthrene
Peak:m/z	Relative Intensity
51.52990	0.5
55.01867	0.8
55.05491	0.8
55.28651	0.5
57.07059	0.9
61.23248	0.4
66.02300	0.5
67.05497	2.7
69.07063	0.6
69.14536	0.4
69.90742	1.2
69.91074	0.6
70.37114	0.5
71.05001	0.8
79.05493	0.7
81.03413	0.6
81.07038	1.5
84.04422	0.5
91.05494	1.2
93.07037	1.5
95.04987	0.6
95.08614	1.2
95.11859	0.5
107.04958	0.5
107.08561	0.5
109.10136	1.0
115.05437	1.0
119.08553	1.2
121.10124	0.8
127.73753	0.5
128.06308	0.5
129.07008	1.5
129.39803	0.5
131.08549	0.9
141.06982	1.9
143.08536	0.5
147.87280	0.5
152.06219	2.6
153.06998	3.1
154.07796	1.3
155.08540	22.2
162.26299	0.5
165.06987	18.7
166.07784	9.1
167.08556	11.6
168.09138	0.5
169.06464	2.4
169.07724	0.7
169.10104	1.6
173.13254	0.8
178.07771	6.5
179.08543	37.7
180.09331	10.2
181.06535	4.4
181.10097	9.0
182.07162	1.2
183.08043	1.3
183.11711	0.5
189.06987	9.4
190.07693	3.0
191.08556	6.6
192.06508	0.8
192.09286	2.2
193.10106	6.1
194.07294	4.8
194.10909	17.9
195.08031	6.9
195.11536	2.0
196.08784	3.2
197.09581	1.0
202.07765	2.8
203.08537	22.5
204.09329	29.5
205.09912	1.4
207.07994	9.4
207.11595	1.0
208.08821	18.2
209.09615	16.4
209.13210	13.7
217.10107	1.4
218.10873	0.8
219.11681	35.7
220.11946	1.1
221.09616	2.1
222.10362	15.3
237.12723	100.0
238.13065	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	237.1484
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
55.05504	4.9
57.07074	8.2
65.06180	1.0
67.05507	4.2
69.07067	4.8
69.10867	7.4
70.75688	1.1
79.05482	5.3
81.07046	9.4
82.23722	1.0
83.04999	1.4
91.05485	4.3
93.07049	6.8
95.04953	2.2
95.08596	7.7
97.06550	2.3
105.07041	5.8
107.08592	8.7
109.06546	3.4
109.10180	2.7
111.08070	1.9
115.46270	0.9
117.07027	1.9
119.08595	4.9
121.06493	1.2
121.10168	3.9
123.08100	1.7
131.08571	6.5
133.10132	4.7
135.08057	6.3
135.11690	2.8
135.64699	1.1
137.05994	1.3
143.08545	1.4
145.10135	4.2
147.11671	2.6
149.06027	1.5
149.09602	1.9
149.13264	2.4
151.07472	1.4
155.07007	2.6
158.10855	2.6
159.11703	2.2
161.09633	1.3
161.13254	1.4
163.07506	20.6
173.13263	7.2
177.09137	1.7
177.12724	2.7
181.08516	1.3
191.14220	1.6
192.06509	2.5
193.04939	1.4
195.13957	1.3
201.12779	3.7
207.13828	2.9
219.13788	100.0
219.17342	3.1
220.14166	2.9
237.12692	1.3
237.14803	16.0
237.18484	3.7
237.22318	0.9
238.15239	1.4
239.69052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1483
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
50.12137	3.2
55.05509	7.6
57.07044	4.8
67.05504	9.9
69.07053	6.4
70.65687	5.7
71.04997	7.6
79.05504	18.4
81.07039	27.3
82.66547	3.3
83.04977	5.0
85.06559	7.5
91.05477	100.0
93.07039	38.9
95.04951	8.6
95.08595	20.4
96.05646	3.5
97.06554	3.6
98.39227	3.3
99.04430	5.2
105.07027	69.5
107.08595	22.3
108.04478	3.6
109.06503	11.8
111.08051	5.0
117.06974	21.4
119.08576	27.1
121.06460	6.5
121.10136	12.4
123.08041	6.0
123.11629	3.6
125.05972	6.5
128.06195	7.4
129.07103	3.9
130.07730	3.3
131.07632	6.9
131.08546	54.4
133.10139	58.2
135.08080	4.2
135.11694	5.5
143.08545	25.9
144.70145	4.4
145.06456	5.9
145.10126	28.5
147.11638	5.2
149.09604	13.3
149.13202	4.7
157.10088	5.5
158.10979	4.2
159.08040	6.3
159.11670	26.9
161.09590	53.2
161.13225	7.4
163.11147	7.5
168.09288	7.1
173.13275	36.8
175.11218	6.2
177.12772	11.5
179.10651	24.3
183.11685	6.0
189.12769	5.9
191.14276	10.8
201.12752	30.4
205.83943	4.0
219.13785	48.2
224.62183	4.3
229.74509	3.9
237.08742	9.1
237.14854	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
52.72402	4.3
53.03937	8.9
55.01871	24.2
55.05511	39.4
55.21920	5.2
57.03432	7.4
57.07074	9.5
65.03930	5.8
67.05499	54.5
67.07544	3.7
69.03441	12.9
69.07061	72.8
70.20648	3.5
71.01344	6.0
71.04989	11.2
71.08634	12.6
71.43009	4.0
79.05487	59.8
81.03410	49.5
81.07047	33.8
83.04973	15.2
83.08612	7.2
85.02913	12.2
85.10155	4.9
91.05472	44.0
93.07043	59.3
94.23560	3.4
95.01361	4.5
95.04971	34.4
95.08601	26.8
97.02876	14.8
97.06539	16.1
99.08094	9.3
103.05477	7.9
105.04588	5.9
105.07018	28.8
107.04948	100.0
107.08579	34.0
109.06538	10.5
109.10167	16.3
111.04460	8.1
111.08089	11.2
113.02373	8.2
115.05469	8.8
117.07023	36.2
119.08587	20.7
121.06505	37.4
121.10117	12.3
123.08085	6.8
125.05962	4.8
125.09714	9.0
127.03951	4.2
129.05507	6.0
129.07001	11.5
131.04951	10.3
131.08566	37.5
133.06483	4.7
133.10117	20.9
135.04396	7.7
135.08034	14.1
135.11691	14.6
137.05988	4.9
137.09662	18.9
139.03909	16.1
141.07037	6.2
144.05730	16.5
145.06529	6.8
145.10170	11.9
147.08089	7.1
147.11710	9.7
149.05937	14.0
149.09647	9.5
149.13274	15.4
151.11143	22.5
153.05469	11.9
159.08020	22.4
159.11710	17.4
161.05963	6.3
163.04018	5.2
163.07506	10.6
163.14816	6.4
169.07649	5.1
173.13271	12.9
175.07573	6.9
177.05475	11.1
177.09149	6.2
177.12740	90.9
181.08641	8.2
187.07530	15.6
191.07033	7.7
191.10686	6.3
191.14275	62.9
195.13861	4.2
201.12672	4.4
201.16454	4.7
205.05013	4.4
207.10109	8.9
219.10208	32.4
219.13748	37.9
237.05527	5.7
237.09091	4.5
237.11195	9.7
237.14842	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03930	4.1
55.01870	17.3
55.05510	15.0
57.07061	3.5
59.00811	1.2
61.01817	1.1
65.03934	2.7
67.05498	22.2
69.03418	3.3
69.07059	12.6
71.04630	1.6
71.04989	18.8
76.56333	1.1
77.03892	2.5
79.05045	2.5
79.05488	40.1
81.03396	10.1
81.07050	23.6
83.04983	8.7
83.08636	5.5
85.02879	1.2
85.06537	25.7
87.04459	7.3
91.05476	38.3
92.05798	1.2
93.07040	48.3
95.04960	11.2
95.08601	28.0
97.06525	16.0
99.08104	1.7
101.06012	1.3
103.05466	2.9
105.04481	1.2
105.07012	23.2
107.04955	13.0
107.08584	20.2
109.06519	6.7
109.10168	3.0
111.04433	5.2
111.08085	7.2
113.05979	4.7
115.03905	2.1
115.05442	3.5
117.07011	24.1
119.08575	13.2
120.08051	1.4
121.02843	1.5
121.06500	21.5
121.10095	5.5
123.08047	12.5
123.11716	1.3
125.05978	19.1
125.09600	6.3
126.01043	5.0
129.05452	1.4
129.06989	6.7
131.08557	41.0
133.06471	3.7
133.10103	5.3
135.08055	30.1
136.97758	1.1
137.05939	5.0
137.09579	5.8
139.07516	4.0
141.06996	6.4
143.07021	4.3
143.08611	1.8
145.06479	4.7
145.10114	19.7
147.08041	4.7
147.11665	4.4
149.05966	43.6
149.09587	6.9
149.13243	1.7
151.07556	7.6
153.09084	4.6
155.08563	5.0
157.10114	7.5
159.08014	5.3
159.11678	15.8
159.90936	1.2
163.07524	21.9
163.11185	1.7
163.14807	1.6
165.09061	1.6
167.07016	6.1
168.09317	1.3
171.11610	1.1
173.09605	3.2
173.13242	46.1
174.13678	1.4
175.11162	3.0
177.09137	7.7
177.12677	6.3
181.08556	3.8
183.11659	14.6
191.10663	1.7
191.14299	14.9
193.12144	1.5
201.12732	29.7
209.05792	1.9
209.15343	4.3
219.06319	1.4
219.11613	2.5
219.13783	41.1
237.14827	100.0
238.08525	4.7
238.15170	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Cuspidiol
Peak:m/z	Relative Intensity
53.03940	5.6
55.01870	14.6
55.05506	11.3
57.03429	2.3
57.07064	4.8
60.83872	1.3
61.34672	1.3
67.05164	1.8
67.05501	23.4
68.99800	1.6
69.03429	2.7
69.07063	12.1
69.13796	9.6
71.04987	14.0
72.39207	1.3
77.03918	3.2
79.05492	49.9
81.03407	10.2
81.07059	18.4
82.95154	1.6
83.04996	9.6
83.08627	2.1
85.02885	2.2
85.06542	26.0
87.04444	5.6
91.05475	40.4
93.07042	60.0
95.01289	1.6
95.04961	11.6
95.08612	12.6
97.02881	1.8
97.06525	9.9
99.08123	3.0
103.05443	7.8
105.04504	2.4
105.07027	19.3
107.04953	21.4
107.08593	19.6
109.06493	4.9
109.10136	5.0
111.04444	2.4
111.08067	7.5
113.06011	2.2
115.03871	1.5
115.05460	2.9
117.07008	22.4
119.04985	1.5
119.08576	11.0
120.74053	1.2
121.06495	62.4
121.10124	4.4
123.08072	11.8
125.05975	6.3
125.09618	1.5
128.06273	1.4
129.07002	2.6
131.08559	29.0
133.06450	3.7
133.10123	5.0
135.08041	36.2
137.06001	2.6
137.09598	7.2
139.07526	5.4
141.06958	4.5
143.08519	2.2
145.06444	4.5
145.10115	12.2
147.08000	2.8
147.11674	4.1
148.68950	1.4
149.05945	9.3
149.09592	3.3
151.07503	2.9
153.09052	2.7
155.08569	2.9
157.10085	5.3
159.08047	5.2
159.11691	11.7
163.07533	19.4
165.09077	2.1
173.13249	26.0
175.11189	3.4
177.09105	4.7
177.12694	4.7
183.11688	10.7
191.14279	9.8
193.12344	1.9
201.12729	19.9
203.03526	1.7
219.13763	17.9
237.14836	100.0
238.15262	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03940	0.5
55.01855	0.8
55.05500	1.4
57.03429	0.4
57.07072	2.7
59.04998	2.1
67.05489	1.9
69.03416	0.9
69.07053	1.3
69.45818	1.4
71.01324	0.3
71.04995	1.8
74.65622	0.4
79.05482	3.4
81.03372	0.3
81.07047	6.3
83.01337	0.5
83.04979	4.3
83.08618	0.6
85.02898	7.5
85.06556	1.6
91.05470	5.8
93.06443	0.6
93.07037	10.8
95.04958	5.9
95.08598	2.3
97.06519	2.9
99.04440	3.7
105.04513	0.7
105.07015	5.2
107.08585	6.2
109.06512	14.3
109.10143	0.9
111.08092	2.0
115.05428	0.6
117.07013	3.0
119.08552	4.5
121.06495	10.5
121.10111	3.7
121.95612	0.3
123.08075	2.3
123.11656	0.4
125.05997	0.5
125.09613	0.4
129.07001	1.6
131.08560	5.7
133.06419	0.5
133.10117	3.4
135.08043	10.6
135.09065	0.7
135.11671	2.7
137.05978	9.5
137.09590	0.9
139.07539	4.0
142.07730	0.5
143.08557	1.4
144.09332	5.0
145.06494	0.5
145.10124	1.5
147.08069	0.4
147.11687	0.5
149.09627	1.3
149.13254	1.8
151.07527	4.8
151.11082	0.5
153.09103	2.0
157.10117	1.2
158.10876	0.9
159.08043	0.6
159.11682	24.6
160.11987	0.6
161.09596	3.1
161.13234	0.4
163.06184	0.7
163.07523	11.8
163.11125	0.5
164.08296	1.9
168.09419	0.6
173.13214	2.7
175.11185	0.7
177.09242	0.7
177.12747	7.8
181.08586	15.1
186.10403	0.4
189.12730	0.5
191.14236	1.6
195.13696	0.4
201.12732	1.3
201.16449	0.4
219.13774	8.3
219.17264	0.8
225.49089	0.3
237.14827	100.0
238.15164	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.05500	9.5
57.07060	11.8
67.05491	21.7
69.07069	24.7
71.04971	4.4
71.08656	3.8
79.05476	25.5
81.07050	35.0
81.68090	3.1
83.04971	16.4
83.08619	7.7
85.02850	3.1
85.06524	5.2
87.04423	3.6
91.05473	19.1
93.07034	43.6
95.04948	7.5
95.08601	37.9
97.06517	15.8
102.37324	3.3
105.07020	30.0
107.04984	3.3
107.08588	43.7
109.06505	7.2
109.10136	27.0
111.04456	5.8
111.08057	7.4
117.06993	9.8
118.06531	5.3
119.08588	23.6
121.06425	4.1
121.10127	30.5
123.08064	5.0
123.11702	6.1
125.05971	3.3
130.07707	5.7
131.08539	17.0
133.10129	18.6
135.11679	37.6
137.09625	8.9
145.10115	43.2
147.11676	9.1
149.09534	6.0
149.13242	11.5
154.92641	3.4
159.11702	26.8
161.13237	8.1
163.11139	17.1
163.14760	9.3
173.13222	6.5
175.14749	6.3
177.12791	4.3
181.04921	6.5
181.12224	34.4
189.16364	4.2
191.10690	5.2
191.17957	5.3
201.16394	36.8
209.11705	8.9
214.77063	3.6
219.17403	23.3
227.22536	3.5
237.14755	10.9
237.15977	5.1
237.18448	100.0
238.18480	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	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.37315	1.2
53.03937	2.5
55.01862	6.4
55.05508	14.3
57.03433	3.1
57.07079	6.2
59.04995	7.2
65.03945	1.5
67.05503	16.9
68.97349	1.0
69.03420	17.7
69.07062	10.7
71.04986	36.1
73.06540	1.8
79.05487	24.7
81.02885	1.0
81.07050	100.0
83.04958	3.8
83.08612	5.1
85.06528	5.5
88.73089	1.1
91.05462	9.7
93.07036	22.7
95.04954	8.6
95.08599	19.4
97.06517	8.4
97.10149	4.2
99.08083	49.6
103.05487	1.3
105.07021	27.6
107.08582	25.3
109.06514	21.0
109.10148	33.8
111.08079	2.7
116.89711	1.1
117.06973	2.1
118.67048	1.0
119.08572	12.3
121.10142	16.0
123.08066	4.3
123.11699	11.7
125.09641	8.0
127.07540	23.7
127.11183	30.2
127.12087	2.3
127.48835	1.1
131.04930	1.1
131.08553	5.0
133.10112	40.1
134.10452	1.3
135.11678	8.6
137.09583	2.5
139.11131	6.3
141.99266	1.1
143.10637	6.8
145.10104	14.7
147.11642	9.3
149.09622	2.0
149.13246	10.4
151.11160	49.2
151.71809	1.0
152.11583	1.3
155.10640	9.4
159.11714	5.7
161.13231	5.7
163.11211	2.4
164.93114	1.3
165.12729	4.4
169.12238	4.8
173.13252	1.9
175.14790	1.3
177.12718	2.1
177.16316	2.5
179.14262	1.4
191.17943	1.6
192.45399	1.3
201.16328	7.9
219.17445	14.0
237.14812	1.5
237.18440	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	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
52.42196	1.6
53.03934	3.8
55.01866	5.8
55.05504	18.2
57.07069	3.0
59.04995	7.4
65.03947	2.5
65.66795	1.7
67.05493	28.1
69.03422	17.4
69.07070	14.6
71.04984	34.3
77.03925	1.6
79.05484	29.8
79.05892	2.9
81.07049	100.0
82.07429	1.6
83.04966	11.0
83.08623	4.8
85.06532	8.4
87.04459	3.1
91.05473	33.4
92.12579	1.8
93.07037	55.7
95.04965	15.6
95.08604	30.3
97.06512	13.9
97.10164	4.1
99.08086	38.5
101.06004	8.7
105.07018	37.8
106.07332	1.5
107.04941	3.8
107.08586	38.0
109.06516	23.6
109.10141	25.2
109.72680	1.5
111.04459	8.7
111.08121	4.8
115.05449	1.9
116.64685	2.0
117.06998	10.3
119.08571	19.6
121.06499	5.1
121.10138	16.9
123.08053	11.2
123.11688	15.4
125.09621	8.7
126.01072	4.8
127.07547	19.1
127.11181	24.7
129.05464	3.5
131.08546	18.2
133.10115	46.0
135.08037	6.2
135.11696	7.9
137.09608	3.7
139.11177	3.3
141.07004	2.3
143.10693	5.1
145.10118	17.2
147.11690	10.1
149.09622	3.2
149.13268	6.3
151.11163	52.4
153.09183	2.0
155.10715	8.2
157.10117	3.3
159.11681	12.3
161.13268	9.8
163.07556	1.7
163.11223	4.8
165.12717	1.8
167.10670	2.0
169.12276	3.5
173.13246	13.4
177.05424	2.2
177.09106	2.8
177.12703	4.4
177.16415	2.6
183.11717	3.5
191.14246	3.5
191.17793	2.2
201.12759	6.8
201.16428	7.5
209.05913	3.4
219.13898	8.8
219.17336	17.5
237.07576	5.1
237.11105	3.2
237.14816	16.5
237.18463	27.5
238.08617	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	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
50.75041	2.1
53.03946	5.0
55.01863	5.6
55.05511	12.6
57.03434	3.7
57.07074	3.5
59.05009	5.8
67.05492	21.4
69.03423	21.1
69.07047	13.1
69.57242	7.8
71.04987	40.6
79.05482	29.6
81.07047	100.0
83.04967	4.3
83.08621	6.2
85.06554	6.4
91.05472	14.3
93.07040	30.3
95.04969	8.7
95.08595	26.4
97.06522	13.5
97.10154	5.4
99.08082	53.8
105.07021	32.0
107.08586	32.4
109.06516	23.5
109.10143	35.1
111.08076	4.5
117.07024	7.2
119.08597	17.7
121.06516	3.7
121.10130	16.9
123.08102	5.2
123.11714	14.7
125.09609	9.0
127.07545	28.9
127.11196	35.8
129.07054	2.4
131.08565	11.1
133.06499	3.0
133.10110	47.9
133.11021	3.8
135.07968	3.2
135.11690	13.2
137.09593	3.4
137.89894	2.4
139.11214	3.9
143.10698	8.2
145.10091	26.1
147.08000	3.0
147.11658	13.3
149.13295	8.6
151.11163	65.8
155.10678	10.5
159.11673	14.3
161.13216	12.1
169.12187	4.0
173.13312	6.5
182.71812	2.4
191.18021	2.5
201.16422	9.6
219.10194	4.2
219.13844	3.1
219.17390	20.7
237.14778	8.0
237.18375	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	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
54.22370	4.7
55.05506	24.7
57.07063	15.1
58.51276	4.3
59.04983	4.3
64.07105	5.2
67.05487	30.6
69.03419	11.5
69.07061	30.4
71.04974	8.9
76.37422	4.6
79.05478	31.8
81.07043	53.2
83.04958	15.4
83.08598	20.6
91.05470	23.1
93.07017	52.2
95.04959	8.4
95.08598	68.5
97.06525	14.0
99.04474	6.3
99.08043	7.7
105.07012	36.0
107.08578	96.9
109.02872	7.0
109.06528	11.6
109.10139	55.1
111.04424	14.7
111.08075	16.7
118.06521	8.3
119.08545	29.3
121.06483	9.2
121.10120	45.2
123.08057	6.5
123.11700	20.0
125.05962	6.0
125.09625	9.5
131.08549	13.1
133.10132	17.0
135.08008	8.4
135.11668	34.4
145.10118	17.6
147.11671	9.4
149.13228	12.6
151.11209	5.1
153.05461	8.2
159.11687	32.8
161.13248	17.7
163.11172	32.0
163.14798	23.9
173.13173	5.2
177.12688	5.8
177.16281	6.9
179.14212	4.8
181.04889	7.7
181.12204	15.5
191.10683	7.2
191.14365	7.8
191.17908	13.8
201.16364	18.2
209.11688	17.7
219.17448	38.4
237.08839	6.4
237.11105	7.4
237.14803	21.8
237.18481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.05507	29.5
57.03430	5.3
57.07086	13.9
59.04992	2.9
67.05503	23.2
69.03410	10.2
69.07063	33.4
69.83427	2.5
70.03955	7.9
71.04981	7.0
76.25167	2.3
79.05486	24.4
81.07051	60.0
83.04955	8.1
83.08613	17.3
85.06531	9.6
91.05482	13.6
93.07040	50.8
95.04957	7.3
95.08604	68.6
97.06523	8.7
97.10146	10.0
99.04465	5.5
99.08096	6.1
105.07034	26.2
107.04959	3.1
107.08588	83.3
108.08933	3.4
109.06518	7.3
109.10146	54.3
111.04427	6.3
111.08067	10.9
113.09632	3.4
117.07013	6.3
118.02064	2.6
119.08582	21.7
121.06445	3.7
121.10139	52.1
123.08024	7.2
123.11687	23.3
125.05982	4.0
125.09605	17.8
127.07528	3.8
131.08527	9.0
133.10117	12.7
135.08041	21.7
135.11687	37.5
137.09569	6.5
139.11111	3.3
145.10088	20.7
147.11694	15.1
149.09639	7.5
149.13220	11.5
151.11139	9.1
153.05505	4.0
153.09058	6.7
153.12781	3.0
159.11682	40.2
161.13277	19.4
163.11140	28.6
163.14793	19.4
167.10754	3.1
168.38361	2.7
173.13249	4.8
175.14861	4.2
177.12758	14.9
177.16438	5.0
179.14304	4.7
181.12238	15.0
189.67653	2.8
191.10683	3.2
191.14316	3.6
191.17856	18.2
192.06613	5.2
201.16357	31.8
209.11696	12.3
219.17436	50.2
222.26505	3.0
237.14703	8.9
237.18466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0983
Annotation	Esketamine
Peak:m/z	Relative Intensity
51.24922	0.2
59.00997	0.2
61.39169	0.3
63.02475	0.2
64.27887	0.2
69.03430	1.9
70.31509	0.3
75.24104	0.2
83.27373	0.2
100.76472	0.2
115.05440	0.3
128.06201	0.4
129.06992	0.5
140.06207	0.3
141.06987	2.4
152.06197	2.2
153.06978	3.9
154.07788	1.4
154.16597	0.2
155.04929	0.4
155.08514	0.9
165.05646	0.5
165.06972	6.1
166.07730	1.6
167.08542	8.7
168.05692	0.8
168.09131	0.5
169.06471	8.5
169.10161	0.5
177.06975	1.6
178.07755	10.0
179.08525	1.5
179.87044	0.2
180.05614	0.4
180.09221	0.5
181.06479	4.3
181.10051	2.4
182.07248	5.4
182.10808	1.0
183.08018	1.0
183.11656	1.0
189.06926	0.3
190.07684	0.5
191.08530	11.6
192.09299	6.3
193.06439	0.4
193.10106	9.6
194.07169	0.6
195.08028	12.7
196.05173	1.0
196.08688	1.0
197.05939	5.1
197.09602	0.6
198.06680	1.7
202.07741	0.7
203.08553	2.2
205.06448	6.3
206.07234	2.2
207.07993	0.3
208.05188	0.4
208.08781	0.6
208.11990	0.3
209.06216	0.3
209.09590	4.2
210.06725	4.9
210.10307	2.7
211.07523	1.8
211.11108	0.9
219.08023	7.6
220.08784	7.3
221.09570	9.4
222.06583	0.4
222.10239	0.5
223.07509	22.6
223.11111	0.7
224.08214	2.5
237.09061	4.5
238.09840	100.0
239.10609	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1066
Annotation	Micrandrol A
Peak:m/z	Relative Intensity
53.45835	0.6
55.01867	1.8
57.07057	0.7
80.32916	0.6
80.94847	2.6
85.84100	0.6
89.05534	0.7
89.06022	2.9
93.07036	0.9
95.08582	1.1
132.77704	0.8
133.08611	0.8
141.06956	2.5
152.06175	1.4
153.06970	2.0
154.07668	1.5
155.08533	3.7
157.06396	1.4
165.06972	8.0
165.38997	0.7
167.08534	10.9
169.06418	1.4
169.10129	5.9
177.06895	3.6
178.07764	29.6
179.08545	44.8
180.08864	1.0
181.06474	9.1
182.07263	12.9
183.08020	2.8
183.11665	1.1
191.08514	1.1
192.05652	1.4
192.91158	1.5
193.06451	1.6
193.10114	46.6
195.08041	9.2
196.08826	19.0
197.09598	100.0
198.10022	2.0
201.06857	0.9
202.07787	4.2
203.08517	7.3
206.07220	3.5
207.09280	1.2
210.06750	1.7
210.92155	2.4
211.07520	37.2
211.10815	4.1
211.14806	0.7
212.07808	0.9
219.08040	3.3
221.09590	85.0
222.10182	3.5
223.07613	1.4
224.08299	44.0
225.08638	1.2
239.08850	13.1
239.10626	75.1
239.14288	69.2
240.11057	2.0
240.14566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.107
Annotation	Micrandrol A
Peak:m/z	Relative Intensity
53.12008	0.1
55.01854	0.6
62.45173	0.1
66.74427	0.1
85.10952	0.2
91.05505	0.2
95.04940	0.2
99.67550	0.2
101.58286	0.2
115.05413	0.8
128.06206	0.7
129.07014	1.2
141.06969	3.1
143.04887	0.3
152.06175	2.8
153.06989	3.8
154.07741	0.8
155.08542	2.5
157.06438	0.2
165.06975	7.4
165.80074	0.1
166.07768	1.5
167.08568	2.1
168.05714	0.2
168.09331	1.3
169.06464	5.3
169.07921	0.3
169.10123	1.4
170.07040	0.4
177.06946	0.5
178.07755	24.7
179.08513	2.8
180.05714	0.8
180.09314	0.9
181.06480	2.3
181.10088	2.0
182.07262	3.0
182.10519	0.3
183.08034	2.3
183.11664	1.8
189.06966	0.2
190.07809	0.2
191.08548	1.7
192.09128	1.7
193.06541	0.9
193.10110	23.8
194.07365	0.2
194.10521	0.9
195.07988	0.9
195.11664	0.3
196.08691	1.6
197.05948	5.3
197.09596	1.0
198.06726	4.1
202.07710	1.3
203.08551	3.1
204.09071	0.3
205.06456	1.1
206.07245	5.5
207.08040	1.3
208.08754	0.8
209.05907	0.6
209.09550	1.6
210.06636	0.3
210.10049	0.3
211.07529	5.1
211.11087	3.1
219.08098	0.4
220.08421	1.0
221.09581	19.1
222.10242	1.3
223.07492	0.5
224.08221	7.2
225.09006	0.9
231.43172	0.2
238.09694	0.6
239.10605	100.0
240.11035	3.3
258.55969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68829	0.2
53.23074	0.2
55.01862	1.3
59.04996	0.2
70.03677	0.6
79.42294	0.2
83.10971	0.2
89.05998	0.2
90.81635	0.2
112.34231	0.2
115.64008	0.3
128.06303	0.2
141.06963	0.9
146.17081	0.2
152.06142	0.3
153.07036	0.3
154.07722	0.7
155.08521	3.7
159.79660	0.2
165.07060	1.1
167.08553	4.8
169.06464	0.6
169.10112	1.8
178.07724	1.5
179.08534	62.2
180.08890	1.7
181.06456	55.4
182.07208	4.9
183.08011	4.7
183.42578	0.2
191.08440	0.4
195.08032	11.0
196.08806	8.3
197.09587	60.7
198.09938	1.2
206.10919	0.8
207.09383	0.3
221.11043	0.3
221.13235	4.9
239.14267	100.0
240.14622	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	239.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05484	0.2
69.98275	0.2
69.98625	0.6
89.06030	0.4
122.07471	0.3
141.06941	1.2
152.06216	0.7
153.06989	0.6
154.07703	0.6
155.08536	3.2
165.06975	0.8
167.08548	5.3
168.05719	0.3
169.06456	0.7
169.10135	1.6
178.07739	1.3
179.08539	59.5
180.08891	1.5
181.06462	52.6
182.07205	4.5
183.08035	3.7
187.54289	0.2
191.08485	0.5
192.91194	0.4
195.08028	10.2
196.08817	6.9
197.09595	57.8
198.09949	1.1
206.10936	0.8
210.92287	0.3
221.13257	5.2
239.09305	2.5
239.14276	100.0
240.12016	0.4
240.14586	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	239.1641
Annotation	OPC-4:0
Peak:m/z	Relative Intensity
53.03940	5.7
54.34326	2.4
55.01878	13.2
55.05507	31.8
57.03431	10.7
57.07067	8.6
65.03925	3.9
67.05501	100.0
69.03422	5.2
69.06705	4.4
69.07063	63.0
69.93957	7.8
71.04984	33.9
71.08624	23.4
78.50613	2.5
79.05486	42.7
81.03422	25.4
81.07051	37.5
83.04969	14.6
83.08615	9.2
85.02906	10.2
85.06523	5.8
87.04462	45.6
91.05476	50.7
92.07092	2.1
93.03397	2.6
93.07037	43.4
95.01333	9.6
95.04960	32.2
95.08599	61.6
97.02902	2.9
97.06526	31.8
97.10191	6.3
99.04443	19.7
99.08097	19.0
100.97727	2.2
105.04519	3.1
105.07024	48.5
107.04922	5.1
107.08588	19.0
109.06500	8.5
109.10148	46.9
111.04400	11.1
111.08056	4.8
111.11755	4.3
113.02357	4.4
113.05995	31.6
115.03915	23.5
117.07013	7.8
119.08573	73.3
121.06501	4.2
121.10149	10.3
123.04424	9.8
123.08054	45.4
123.11747	3.7
125.06023	11.9
127.03928	5.9
127.11224	2.6
129.05498	3.3
129.06990	5.4
131.08554	4.3
133.06523	7.0
133.10115	32.6
135.08049	8.9
135.11732	6.1
137.05989	6.4
137.09616	24.9
139.11186	4.2
141.09100	6.6
143.08566	6.2
145.10112	4.2
147.06970	1.9
147.07977	12.5
147.11639	11.2
149.09654	2.9
149.13185	3.0
151.07507	18.6
151.11169	5.3
156.81247	2.1
157.10130	2.5
159.11673	7.0
161.09633	7.2
161.13242	29.8
165.09090	11.3
175.11325	3.1
175.14813	43.4
177.12692	25.4
179.10687	2.3
179.14307	7.5
185.13245	14.9
193.15872	34.4
203.14291	23.5
211.07471	3.4
221.15347	74.2
239.06917	3.0
239.09018	6.7
239.16399	38.7
239.18562	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	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.05239	9.3
55.05487	28.1
56.05032	21.1
57.07061	19.2
59.04986	29.7
67.05495	35.5
69.07042	34.7
71.01124	16.8
79.05509	25.4
81.07054	92.2
83.08607	24.0
85.06532	12.0
86.09697	100.0
91.05435	13.9
93.07037	49.2
95.08610	74.5
97.06509	15.4
97.10172	14.1
105.07021	32.5
107.08596	59.9
109.10149	51.6
111.08051	22.2
111.96874	10.8
119.08568	45.1
121.10111	34.3
123.11629	26.3
127.11173	10.4
127.70931	10.7
133.10118	33.6
135.11688	45.4
137.13251	76.3
139.11159	17.8
147.11659	25.8
147.33394	9.9
149.13246	16.6
151.11052	10.5
161.13237	20.1
163.14828	23.9
176.40608	9.4
183.11732	9.7
203.17874	60.6
221.15442	13.5
221.18950	47.9
239.08881	64.4
239.17865	14.4
239.20094	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	239.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05239	9.3
55.05487	28.1
56.05032	21.1
57.07061	19.2
59.04986	29.7
67.05495	35.5
69.07042	34.7
71.01124	16.8
79.05509	25.4
81.07054	92.2
83.08607	24.0
85.06532	12.0
86.09697	100.0
91.05435	13.9
93.07037	49.2
95.08610	74.5
97.06509	15.4
97.10172	14.1
105.07021	32.5
107.08596	59.9
109.10149	51.6
111.08051	22.2
111.96874	10.8
119.08568	45.1
121.10111	34.3
123.11629	26.3
127.11173	10.4
127.70931	10.7
133.10118	33.6
135.11688	45.4
137.13251	76.3
139.11159	17.8
147.11659	25.8
147.33394	9.9
149.13246	16.6
151.11052	10.5
161.13237	20.1
163.14828	23.9
176.40608	9.4
183.11732	9.7
203.17874	60.6
221.15442	13.5
221.18950	47.9
239.08881	64.4
239.17865	14.4
239.20094	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	240.1149
Annotation	Bupropion
Peak:m/z	Relative Intensity
55.01855	0.6
58.59471	0.2
70.10380	0.6
70.11462	0.2
70.46093	0.2
78.95827	0.2
81.39730	0.2
98.23399	0.3
110.27908	0.2
141.06989	1.3
152.06142	1.5
153.06967	3.5
154.07709	0.5
155.08580	1.4
165.06975	6.6
166.07800	1.1
167.08575	1.7
169.06474	3.1
169.10121	0.7
170.07227	0.4
178.07761	4.1
179.08536	35.4
180.05641	0.8
180.09300	5.4
181.06450	5.5
182.07259	1.2
183.08003	2.0
184.05177	0.3
189.06979	0.8
190.07736	0.7
193.06427	1.1
193.10100	0.7
194.07237	0.7
194.10818	2.1
195.07953	0.8
195.09982	0.4
195.11674	6.0
196.08781	0.3
197.05974	6.4
197.09592	4.8
198.06735	3.2
199.07510	1.4
203.78561	0.2
205.10110	0.5
206.07243	0.4
207.08031	30.3
208.08754	4.2
210.06732	1.9
211.07520	12.2
211.10835	0.5
212.08260	2.1
212.11827	0.3
213.08820	0.2
221.09598	0.7
222.10371	5.0
223.11156	16.5
224.08281	0.4
225.09074	82.1
226.09441	2.5
239.10556	0.6
240.11414	100.0
241.12125	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	240.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05452	0.2
54.98640	0.4
56.96561	15.7
57.04432	0.2
58.62060	0.2
65.00543	0.2
69.55471	0.6
69.55878	0.4
71.95250	0.8
92.30675	0.2
98.23382	0.4
98.97575	100.0
99.97909	0.5
116.98612	54.4
119.01850	0.2
134.99648	18.5
140.00191	0.7
153.00674	1.6
158.01274	0.3
174.97667	0.3
216.98750	0.9
234.99710	0.8
240.98665	1.5
241.15460	0.7
241.83342	0.2
258.99747	26.0
259.99945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98647	0.4
56.96563	13.1
65.75594	0.2
70.88541	0.3
71.95248	1.1
84.17318	0.2
98.97578	100.0
99.97913	0.3
107.00726	0.2
116.98615	50.8
125.62803	0.2
134.99649	14.8
140.00198	0.5
153.00703	0.9
156.55724	0.2
174.97586	0.2
181.97414	0.2
216.98674	0.4
219.02051	0.3
234.99792	0.5
240.98625	2.5
258.99753	30.3
259.99924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98638	0.4
56.96562	16.3
70.99140	0.3
71.95255	0.9
91.51505	0.2
98.97575	100.0
100.53745	0.3
112.97321	0.3
116.98611	61.2
118.99072	0.3
121.11782	0.2
134.99646	22.6
140.00171	0.7
153.00687	2.1
158.01273	0.6
174.97675	0.4
192.98694	0.3
198.97562	0.3
216.98668	1.2
228.08488	0.2
234.99748	0.7
240.98598	2.4
241.15434	0.3
258.99747	30.9
259.99832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37533	0.2
50.54670	0.2
54.98642	0.3
56.96561	16.0
58.06604	1.1
63.38881	0.1
70.06569	0.3
70.50166	0.3
71.95248	0.8
84.08151	0.4
84.33663	0.2
96.08775	0.1
98.97575	100.0
99.97926	0.2
106.41491	0.2
116.98612	51.9
117.98904	0.2
128.10707	0.2
134.99646	16.2
140.00191	0.5
153.00693	1.4
158.01164	0.2
174.97562	0.2
192.98759	0.2
196.09721	0.2
216.98669	0.6
234.99681	0.8
240.98595	2.0
241.15456	4.2
241.17896	0.2
258.99738	25.3
259.99866	0.8
260.07904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0857
Annotation	Chrysophanic acid 9-anthrone
Peak:m/z	Relative Intensity
55.06890	0.2
57.07064	0.2
77.03918	0.2
81.07050	0.3
84.86198	0.1
88.07626	0.7
91.05462	0.3
95.04957	0.3
95.08592	0.2
98.97574	0.5
103.05463	1.4
109.10137	0.2
114.79150	0.1
115.05451	0.8
116.98615	0.5
119.01309	0.7
121.06486	0.7
127.05556	0.2
128.06216	2.2
129.07004	0.8
131.04935	10.0
131.06015	0.9
134.06000	0.2
134.99646	0.4
139.05420	0.4
141.06984	2.7
142.07732	0.3
143.08551	0.5
145.06401	0.3
151.05453	0.3
152.06201	19.3
153.06955	1.2
157.06467	0.2
157.10132	0.4
165.06996	12.6
166.07782	5.1
167.08553	45.6
168.05606	0.4
168.08891	1.4
169.06432	1.4
170.07271	0.4
171.08038	4.1
172.08452	0.2
176.06250	1.3
177.07002	4.3
178.07750	1.4
179.06029	0.3
181.06494	0.5
185.05962	1.0
185.09540	0.5
194.07297	0.7
195.08040	63.6
196.08376	1.8
197.06107	0.3
198.06798	0.4
199.07596	0.8
205.06511	0.4
208.05200	0.6
213.05490	0.7
213.09126	2.7
222.06731	0.6
223.07523	100.0
224.07878	2.8
226.06299	0.4
240.23265	0.9
241.08575	54.3
241.23627	0.5
242.08904	1.6
242.24960	0.2
242.28310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1219
Annotation	Navenone C
Peak:m/z	Relative Intensity
63.90359	0.2
64.28963	0.3
70.20032	0.8
75.35693	0.3
98.27324	0.3
117.66833	0.3
131.11342	0.2
141.06932	0.6
142.07416	0.3
152.06178	3.7
153.06970	22.3
153.17310	0.3
154.07513	0.4
155.08582	0.5
157.06467	0.4
165.06972	22.3
166.07753	6.8
167.08549	8.2
168.08943	0.3
169.06439	1.6
170.07030	0.8
173.05975	0.4
177.07008	0.5
178.07733	1.0
179.08519	3.7
180.05867	1.8
180.09296	30.8
181.06462	29.6
181.09805	1.1
182.07155	2.7
183.07970	0.8
184.05171	0.3
184.08397	0.3
185.05864	0.3
189.06979	1.2
190.07771	4.4
191.08398	0.5
193.06435	0.4
193.10066	0.6
194.07228	3.7
195.08026	6.5
195.11665	43.6
196.11986	0.9
197.05919	0.6
198.06726	11.0
198.09917	1.0
199.07498	8.5
202.07730	0.4
203.08549	1.0
204.09297	0.4
205.10114	4.7
207.07948	1.8
208.08759	24.7
209.09169	1.0
211.07576	1.5
212.08162	5.4
213.08783	0.8
219.41603	0.3
222.10220	0.3
223.11142	100.0
224.11478	2.8
225.09048	1.1
226.09439	15.9
227.09570	0.3
241.12123	83.9
242.12469	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1221
Annotation	Didehydroconicol
Peak:m/z	Relative Intensity
55.01862	0.3
69.11066	1.0
81.07055	0.2
82.85966	0.2
95.08611	0.2
98.97571	0.5
115.05461	0.2
116.98586	0.2
123.47109	0.2
128.06212	0.5
129.06987	0.3
141.06964	0.6
142.07745	0.5
142.31599	0.1
143.08522	0.8
152.06158	0.6
153.06966	2.5
155.08563	0.4
157.06447	0.9
157.10196	0.2
165.06960	0.6
167.08510	0.3
169.06453	0.8
170.07242	1.2
170.10936	0.2
171.08037	5.2
179.08545	0.3
180.09291	1.0
181.06462	4.3
182.07201	0.5
183.04358	0.2
183.08136	0.8
184.05182	5.9
185.05963	1.7
185.09613	0.4
190.07784	0.2
195.07994	0.3
195.11661	0.9
197.05959	3.3
197.09575	0.2
198.06732	100.0
199.07500	28.0
200.07892	0.6
205.10063	0.2
208.08759	0.7
211.07465	0.7
212.08322	0.3
213.09447	0.3
213.12714	7.0
223.11137	2.6
225.09082	0.3
226.09851	1.8
241.12196	24.1
242.12500	0.8
242.28421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.7
56.96563	34.2
57.03433	5.2
58.06594	4.6
58.61816	1.8
58.98412	1.5
69.87957	5.4
71.01334	3.3
71.95267	2.5
73.02920	2.1
80.05011	8.5
84.08151	2.5
84.96013	1.9
85.02903	2.0
87.04471	3.3
89.02374	2.4
98.95203	1.7
98.97579	100.0
99.97917	10.4
101.00874	3.8
101.02362	7.8
104.10746	4.8
106.55979	1.8
115.03902	13.6
115.63204	1.7
116.98615	96.4
117.98985	9.2
119.01889	11.0
129.01836	9.2
132.05072	2.3
134.99655	58.7
135.99986	7.6
137.02924	4.2
143.03409	4.4
153.00650	9.7
157.01329	12.8
161.04456	7.4
177.00923	20.0
189.03929	31.7
201.00768	4.1
205.80275	1.9
219.01976	31.7
242.15781	21.1
243.02049	6.3
251.04201	3.9
252.93683	2.0
259.99939	37.1
260.99695	6.0
261.03052	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	2.8
64.94935	1.9
65.07081	2.1
67.05495	2.5
69.36847	8.8
72.08167	2.4
75.04476	67.5
79.04230	2.4
81.03390	3.1
82.02952	3.3
95.04958	3.0
96.04459	2.8
96.90755	1.9
98.97579	6.0
116.98590	5.0
122.06008	7.9
124.03965	3.7
135.03175	13.1
150.05487	39.7
163.02652	25.0
164.03304	2.5
167.05771	7.6
178.04976	100.0
180.06566	3.1
182.08067	6.8
189.21468	2.4
195.05264	6.4
195.64120	2.2
198.14862	2.3
210.07616	47.4
211.07889	2.5
224.09116	2.6
226.14333	2.6
242.09991	2.8
252.25607	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61926	3.1
58.06593	5.0
61.75335	2.8
69.69252	2.6
69.79881	2.7
86.85275	2.5
93.31817	3.9
100.11237	17.3
130.15866	5.0
142.15892	51.6
142.16907	3.8
184.20599	8.7
186.22145	14.1
204.39935	2.9
242.28406	100.0
242.30858	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	243.159
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
55.01867	12.9
55.05503	17.2
56.19557	6.5
57.03436	8.6
59.05020	7.7
61.48818	6.6
65.65549	6.8
67.05505	17.8
67.72201	8.0
68.49512	7.3
69.03414	7.9
69.07060	35.5
70.72494	8.8
71.04975	24.6
73.47229	7.0
79.05485	28.7
80.56716	7.0
81.07054	40.1
83.04996	16.8
83.08627	9.6
91.05463	11.1
93.07037	28.0
95.08603	45.1
96.40086	6.7
97.06525	67.7
98.72525	8.9
99.04419	8.2
99.08117	10.7
105.07025	37.0
107.08573	60.9
109.06512	22.2
109.10155	31.7
111.04441	28.2
111.08075	29.4
115.07565	13.8
119.08573	31.7
121.10136	100.0
122.66462	7.1
123.08060	71.9
123.11730	11.6
125.09621	35.1
129.09148	7.9
133.10136	12.9
133.59843	7.1
137.09645	34.9
137.13213	11.5
141.09131	15.1
145.10147	12.9
147.11707	42.6
149.09628	47.4
151.05951	6.7
151.07523	18.1
161.13274	41.2
163.11157	35.0
165.12761	26.9
167.10674	16.0
169.04886	7.5
169.08545	19.6
169.12247	27.5
179.14398	8.2
189.12746	23.8
193.05388	8.3
207.13821	32.3
225.14813	23.0
243.15895	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1591
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
55.01868	11.8
55.05486	12.2
57.03402	8.7
57.07060	7.5
57.68385	5.0
59.04979	8.9
60.56241	4.4
65.03922	5.4
67.05483	16.8
69.03415	14.0
69.07063	35.6
70.80467	10.5
71.05000	29.1
74.30682	5.6
79.05481	25.9
81.07045	63.7
83.04971	17.2
83.08598	12.3
85.06524	8.6
88.38165	5.2
89.09985	4.5
91.05470	13.5
93.07026	28.4
95.04960	10.7
95.08591	45.7
97.05969	5.9
97.06532	63.9
97.24651	4.5
98.09662	14.4
99.08109	9.6
100.07593	12.6
105.07032	35.4
107.08572	62.3
109.06495	21.7
109.10164	37.6
111.04423	22.8
111.08061	26.3
113.09595	6.3
115.07556	11.2
116.10691	12.5
116.98580	4.9
117.06994	4.7
119.08584	31.6
121.10136	100.0
123.08076	62.2
123.11703	7.4
125.05977	5.9
125.09593	14.2
126.00996	5.1
129.09135	9.2
131.08623	5.6
133.10133	6.2
135.11694	10.8
137.09583	30.0
137.13208	6.6
141.09065	15.9
145.10101	5.6
147.11638	40.7
149.09613	60.6
151.07614	9.6
151.11121	8.7
153.09056	5.8
155.10619	7.7
161.13263	41.9
163.11208	34.9
165.12772	21.5
167.10654	14.4
169.08559	14.5
169.12228	28.1
171.11710	6.5
174.20729	5.3
179.14099	5.5
181.12248	7.9
189.12746	31.1
198.14880	54.5
207.13744	27.0
225.14816	30.8
226.14357	50.4
243.06540	6.4
243.15872	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1743
Annotation	Dehydrofalcarinol
Peak:m/z	Relative Intensity
52.58376	0.6
55.05255	0.9
55.05505	10.8
57.07069	16.4
59.05242	0.6
67.05484	1.0
69.07061	20.5
69.53300	3.0
71.08612	0.8
74.42871	0.7
79.05471	2.2
81.07040	4.4
82.82469	0.6
83.08598	6.8
85.10168	12.7
91.05454	3.4
93.07034	1.4
95.08565	2.7
97.10174	6.4
100.11251	0.9
100.46975	0.7
105.07025	3.3
107.04248	1.3
107.04941	17.9
107.08525	1.2
109.10126	2.3
111.11755	1.4
115.05466	2.2
117.07015	4.8
119.08563	1.9
121.06487	7.4
121.10103	0.7
123.11697	0.9
129.06984	1.3
131.04875	5.4
131.08562	7.7
132.05659	2.2
133.06477	23.7
133.07500	1.3
133.10063	0.9
135.08052	3.4
141.07010	4.3
142.15886	1.4
143.08549	0.7
144.05687	7.4
145.06465	58.3
145.10118	3.2
146.07047	1.3
147.08029	43.2
149.09607	8.2
153.06970	1.5
155.06029	2.5
155.08551	3.5
157.06409	1.7
158.07231	6.6
159.08032	76.1
159.11646	1.7
160.08423	2.0
161.09593	16.8
161.10852	1.4
167.08450	0.8
168.09308	2.5
169.07565	2.2
171.08003	1.1
172.08836	2.4
173.09593	40.2
174.09932	1.3
175.11119	2.0
183.07991	0.8
183.11751	3.4
185.09604	3.5
185.20834	0.8
186.10364	0.9
187.11154	61.7
188.11617	0.8
199.11180	1.9
200.11919	3.0
201.12714	72.6
202.12985	1.0
211.12257	6.6
228.14618	1.4
242.28368	2.9
243.17407	100.0
243.28726	2.1
244.17787	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	245.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	5.9
56.96564	33.2
60.95843	10.5
69.03429	4.0
69.07077	2.4
69.75821	7.5
70.06583	2.9
83.04992	2.9
84.08149	2.5
84.96030	4.9
92.97342	2.1
97.02863	5.3
98.97574	34.9
100.07632	3.1
100.11250	16.3
100.97208	2.3
101.00872	9.9
101.11601	3.8
102.96857	36.2
103.00586	2.3
116.98606	27.0
119.01909	27.1
120.97892	36.5
121.01651	3.6
128.00769	5.2
130.04955	4.0
131.01881	3.8
134.99664	16.6
137.02950	6.5
138.98930	26.0
142.01784	2.7
142.96513	2.2
143.01894	5.0
145.03448	6.5
153.00732	3.4
155.01883	3.5
156.99934	3.7
157.03448	5.7
160.02895	2.4
161.02951	14.1
173.02995	4.9
179.00694	25.0
185.02936	7.0
186.04326	3.2
188.97050	11.6
190.95363	4.2
197.02954	4.4
203.03960	8.3
206.98100	6.8
210.35970	2.1
215.04045	2.6
219.03865	3.6
221.01695	21.6
221.05020	2.6
222.04483	2.7
240.05229	2.7
244.20213	6.8
244.98250	10.2
245.01830	7.0
245.05107	19.7
245.09961	100.0
246.10213	3.0
246.17949	2.4
262.99179	24.4
263.02890	88.0
263.06082	5.1
264.03104	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	245.1172
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
53.03942	0.6
55.01851	2.0
55.05500	1.0
57.03427	1.0
57.07059	1.3
62.06071	1.2
67.05486	2.2
69.03417	1.5
69.07085	0.8
69.13831	4.8
71.04974	1.0
71.08629	0.8
72.61626	0.6
77.03960	0.8
79.05491	5.6
81.03374	0.7
81.07045	2.6
82.70816	0.6
83.04961	1.5
85.02917	0.7
91.05474	10.7
93.07045	5.3
95.04964	10.3
97.02863	0.8
97.06510	1.4
98.22674	1.1
103.05431	0.8
105.04501	1.0
105.07018	8.7
107.04942	9.1
107.08572	2.4
109.02856	1.9
109.06515	11.1
115.05444	3.5
116.06210	1.7
117.07004	6.8
119.08563	5.2
121.06495	4.8
123.04427	1.2
128.06194	6.5
129.06992	9.4
130.07761	0.8
131.08543	10.7
132.05725	1.3
133.06496	3.9
133.10120	2.8
135.04396	1.3
135.08055	3.7
137.05930	2.7
139.58762	0.7
141.06990	5.7
142.07785	5.8
143.07443	0.8
143.08543	12.5
144.05669	1.4
144.09274	0.9
145.06480	19.0
145.10094	2.9
146.07306	1.1
147.08028	5.4
147.11650	2.6
149.05968	1.5
153.07004	1.3
155.08517	2.5
156.09332	5.3
157.06451	0.8
157.10071	4.7
158.07214	4.3
159.08037	19.4
159.11661	2.2
160.08806	5.1
161.06006	1.9
161.09578	6.0
163.07529	2.3
165.07013	2.3
166.07759	4.2
167.08488	1.3
169.06462	2.7
169.10190	0.9
170.07188	0.9
171.08064	5.8
171.11699	6.6
173.05966	2.6
173.09613	5.1
174.06737	0.8
175.07506	2.5
175.11169	3.6
181.10100	5.2
183.08026	3.1
184.08836	2.9
185.09616	6.1
187.07526	18.5
187.11179	2.0
188.08302	7.1
189.09117	10.1
189.12695	3.2
197.09595	1.3
199.07544	1.0
199.11157	16.6
201.09065	3.9
202.09750	1.3
203.10638	5.0
209.09602	2.0
212.08342	1.4
215.10664	0.9
217.12212	14.1
227.10635	9.4
227.12822	1.1
244.26340	8.2
245.11717	100.0
245.26648	6.1
246.12053	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	245.1383
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.03933	1.6
55.01868	8.5
55.05511	87.3
57.03434	26.8
63.48698	1.3
67.05222	1.8
67.05503	22.0
69.03430	8.3
69.07064	13.7
69.70520	5.9
78.63813	1.5
79.05490	22.4
80.05014	3.0
81.07059	17.4
83.04958	4.7
83.08119	2.5
83.08614	46.5
85.06528	2.4
86.09698	2.1
91.05478	3.1
93.07037	7.1
95.08598	2.8
97.10166	100.0
101.09603	1.8
105.06999	2.0
107.08591	25.8
109.10112	2.3
111.08047	4.3
113.71103	1.5
114.03662	1.8
117.06976	2.7
125.09624	98.1
135.08072	8.8
142.03229	12.3
143.10629	5.4
153.09091	6.3
158.92703	1.6
171.10121	6.9
171.11476	2.0
189.05481	8.1
189.11200	78.8
199.10919	1.8
217.12067	1.8
227.12746	6.4
245.04370	2.3
245.11716	4.4
245.13809	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55509	0.4
66.92426	0.4
69.57135	1.7
69.57446	0.4
80.39095	0.4
101.00903	0.8
103.00652	0.7
104.99263	100.0
119.01902	1.7
121.01662	1.2
122.06721	0.4
145.01651	0.6
147.03131	0.6
161.02979	2.0
163.02742	1.5
175.02690	0.4
187.02722	0.5
201.02492	0.7
215.00363	0.4
229.03145	2.6
247.00310	1.3
247.04262	9.0
247.07893	0.7
263.86893	0.4
265.02670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28677	1.0
71.42573	1.1
101.00869	2.2
103.00647	2.1
104.99263	17.0
119.01899	3.2
121.01681	3.0
125.08779	0.9
143.01831	1.3
145.01614	2.0
152.07304	1.0
161.02963	3.5
163.02707	1.7
167.03104	1.3
169.01054	0.9
175.02679	1.8
175.04778	0.9
185.69569	0.9
187.02470	0.9
188.98616	0.9
199.41779	1.0
229.03183	29.0
247.04239	100.0
247.07967	10.2
247.70244	0.9
248.04494	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54510	1.0
62.00961	1.1
66.98751	1.0
99.53422	1.1
101.00857	6.8
103.00629	3.8
104.99267	47.6
114.62365	1.1
119.01911	15.1
120.01944	1.3
121.01664	9.2
131.01839	1.5
133.01601	2.2
133.03429	1.4
137.02942	2.5
143.01848	2.7
145.01604	2.2
147.03236	1.3
157.01617	1.5
161.02966	10.8
163.02660	5.2
167.03104	1.1
168.99861	1.8
175.02776	3.6
177.00912	2.7
181.00481	3.6
187.00865	3.2
187.02562	2.3
201.02454	1.2
215.00313	4.8
223.01598	4.1
229.00873	1.2
229.03169	34.8
247.04237	100.0
248.04527	2.1
253.44939	1.2
265.02698	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	247.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60091	0.3
60.59545	0.2
69.79950	0.8
69.80284	0.3
131.94713	0.2
132.04047	0.3
145.22821	0.3
167.29643	0.2
178.07768	1.5
179.08551	1.7
189.06943	6.0
190.07764	3.0
191.08536	5.7
200.31284	0.3
202.07739	6.2
203.08534	27.2
204.09320	60.1
205.06520	1.5
205.09729	2.1
206.07277	3.3
207.07962	0.3
214.07800	0.6
215.08583	1.0
217.10106	2.9
218.07304	0.3
218.10867	1.8
219.08067	5.3
219.11661	51.6
220.11946	1.9
227.08508	1.1
228.09341	3.0
229.10098	8.9
230.10596	0.5
231.07991	5.7
232.08806	29.1
233.09178	0.7
245.09506	0.3
247.11153	100.0
248.11533	3.5
257.10687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01871	0.8
55.05505	0.5
57.03434	3.2
57.07072	100.0
58.07417	0.6
59.05023	0.4
61.02928	1.3
67.05495	0.5
69.03425	17.3
71.04996	0.9
72.08156	1.3
73.02907	0.5
79.05497	0.7
81.03411	11.6
81.07067	0.8
83.04975	2.2
85.02898	17.1
85.06542	11.8
85.07063	0.8
91.05469	2.1
93.07034	1.0
95.04967	0.9
95.08641	0.4
97.02882	7.5
99.04451	2.1
103.07582	7.6
105.06988	2.2
107.08607	1.3
108.21244	0.4
109.02879	8.1
109.06538	1.4
111.04446	0.4
117.07075	0.7
119.08632	1.1
121.02861	0.6
121.06512	1.1
121.10136	0.6
123.08080	0.6
127.03908	8.0
128.06163	0.4
129.07024	0.6
131.08574	1.7
133.10146	1.0
135.08032	2.0
142.07739	0.4
143.08560	0.8
144.02866	0.7
144.09360	0.9
145.04974	1.1
145.06531	1.3
145.10156	1.1
148.05257	0.5
149.09639	1.8
155.08603	0.6
157.10109	0.4
158.10864	0.8
159.08194	0.9
159.11644	2.3
161.09618	0.5
163.07567	1.5
170.10928	0.5
171.08081	0.7
172.08820	1.4
173.09608	2.2
173.13293	2.4
176.14403	0.7
183.08101	0.5
183.11696	0.9
186.10457	1.6
187.07695	0.7
187.11163	8.3
191.07014	4.2
196.08824	0.8
201.12758	4.1
211.11240	1.5
214.09979	0.7
229.10620	2.3
229.12560	4.7
247.13423	6.5
247.17152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Xanthatin
Peak:m/z	Relative Intensity
52.09968	1.9
55.01865	3.6
55.05500	7.9
57.03434	2.3
67.05483	6.0
69.03417	4.6
69.03799	1.9
69.77034	5.7
71.04987	3.8
79.05482	12.7
81.07032	8.6
83.04964	9.0
91.05473	27.1
93.07029	11.8
95.04966	21.6
95.08587	5.7
97.06521	4.6
98.22822	3.5
103.05448	2.2
104.99255	8.6
105.07011	27.9
107.04942	3.1
107.08562	5.7
109.06496	6.5
111.04440	2.7
115.05437	4.9
116.06165	3.3
117.07018	27.3
119.04922	2.5
119.08566	14.9
121.06495	10.0
121.10114	3.0
123.08061	3.0
128.06210	12.2
129.06995	26.7
130.07774	3.7
131.04877	4.0
131.08556	36.7
133.06470	17.0
133.10114	8.8
135.08022	6.2
137.05927	3.3
141.06979	7.3
142.07761	5.8
143.08553	27.0
144.09329	3.3
145.06482	12.5
145.10101	23.1
146.07256	3.6
147.08028	20.4
147.11696	2.2
149.06012	3.7
149.09567	3.9
150.90019	1.9
153.06996	3.1
154.07748	4.1
155.08557	11.2
157.10120	9.4
158.07266	3.4
158.10924	2.6
159.08052	17.4
159.11696	17.3
161.09610	28.7
163.07474	3.9
163.11182	2.4
167.28020	2.0
168.09280	5.2
169.10107	6.0
171.08009	17.6
171.11818	2.2
172.08755	3.3
173.09607	17.3
173.13184	7.3
175.11165	5.8
177.09171	4.4
177.12723	4.4
183.11731	12.2
185.09550	2.4
186.10329	3.0
187.11169	15.7
189.09108	23.3
191.10681	3.0
196.08730	2.4
200.63602	2.3
201.12729	20.4
203.10689	4.3
205.12206	9.3
211.11115	4.5
219.13811	5.7
229.12215	20.8
246.24341	3.7
247.13268	100.0
248.13712	2.5
248.16360	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	247.1329
Annotation	Cybrodal
Peak:m/z	Relative Intensity
53.03940	0.8
55.01863	1.0
55.05501	1.4
57.03432	1.5
57.07074	3.8
67.05489	2.4
69.03414	3.5
69.07043	0.9
69.20623	1.8
69.21028	1.8
70.06596	0.7
74.06051	1.8
74.82114	0.7
77.03913	0.9
79.05482	2.4
81.03406	2.2
81.07039	2.1
83.04957	1.6
85.02901	1.4
86.09678	2.1
87.04438	0.7
89.03983	0.7
91.05481	4.4
93.07024	2.3
95.04949	2.3
95.08606	1.3
97.02889	2.5
105.07011	6.2
107.04926	0.7
107.08589	2.0
109.02876	2.7
109.06525	1.1
109.10134	0.9
115.05428	1.4
117.06998	3.1
119.04956	1.0
119.08562	4.3
121.02845	1.4
121.06439	1.4
121.10162	1.1
123.04438	1.9
123.08056	1.4
125.02299	1.0
128.06186	3.9
129.06981	5.0
130.07715	1.2
131.04958	1.2
131.08542	7.8
133.06451	1.2
133.10083	1.6
137.05986	0.7
141.06969	3.7
142.07745	3.7
143.08546	10.2
144.05685	0.8
144.09297	3.1
145.06468	2.7
145.10124	5.7
146.07184	0.9
146.11765	0.9
147.08034	2.9
149.06058	0.7
149.09630	0.7
151.07524	1.0
153.06970	4.7
154.07774	2.1
155.08527	8.8
157.06480	4.6
157.10109	2.0
158.07207	2.3
158.10880	1.6
159.08023	11.9
159.11693	7.0
160.08733	0.7
161.05966	2.8
161.09608	2.6
163.07573	1.0
165.06877	1.4
167.08543	1.5
168.09306	8.5
169.06488	0.7
169.10054	1.4
171.08018	9.7
172.08817	8.6
173.05965	0.9
173.09653	6.5
173.13226	3.1
175.07523	14.0
175.11174	1.0
177.09016	0.7
178.07690	1.6
181.06506	4.1
181.10115	1.0
182.07219	3.0
183.08051	1.8
183.11668	14.0
185.05957	3.9
185.09584	1.2
186.06726	1.4
186.10400	3.7
187.07526	6.2
187.11160	29.4
188.11623	0.8
189.09082	13.6
189.10788	0.8
190.09866	15.4
191.06995	1.4
191.10651	1.0
193.10127	3.1
195.08035	1.1
196.08823	7.1
197.09572	1.3
199.07506	12.8
199.11234	1.4
200.08307	10.4
201.09065	4.0
201.12717	22.1
203.10672	1.4
211.11165	14.0
212.11710	1.2
213.09071	1.2
214.09866	19.2
219.13725	2.2
219.66394	0.7
229.12213	71.2
230.12445	2.6
247.13266	100.0
248.13628	2.3
265.52206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.05505	3.5
57.07077	6.4
67.05499	4.7
69.14035	23.4
70.06578	6.1
79.05498	10.9
81.07054	10.5
83.04974	4.9
88.07624	10.4
91.05470	20.4
91.66666	3.4
93.07035	12.5
95.04961	19.9
104.99274	33.7
105.07029	22.3
106.08659	3.6
107.04971	2.9
107.08537	7.8
109.06519	11.8
112.30653	2.8
116.06140	3.6
117.07011	14.4
119.08590	15.5
121.06500	8.8
123.08028	6.6
128.06226	14.4
129.07005	22.9
131.04955	5.1
131.08559	31.4
133.06473	6.2
133.10115	7.9
141.06975	7.7
142.07764	7.6
143.08566	26.5
145.06517	13.7
145.10110	18.7
146.07246	3.0
147.08049	20.7
153.07008	4.9
154.07780	4.1
155.08592	7.2
157.10170	7.5
159.08032	19.9
159.11700	14.2
161.09604	17.7
163.07524	3.3
168.09338	9.8
171.08043	16.0
171.11716	6.6
173.09642	11.5
173.13257	9.6
175.11253	6.0
181.10147	4.3
183.11697	13.9
185.09718	5.4
185.17317	3.5
187.11177	19.1
189.09114	20.4
201.12782	20.1
203.10576	3.6
205.12236	13.0
211.11159	5.2
217.12215	4.4
219.13794	5.7
229.10054	10.2
229.12259	23.8
246.24266	22.8
247.13268	100.0
247.24651	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03934	4.8
55.05505	6.1
55.27591	1.5
57.03431	4.1
57.07070	80.7
58.74982	1.7
59.04974	1.9
65.03928	5.7
67.05489	5.0
69.03422	34.5
73.40869	1.7
75.15314	1.6
79.05481	8.9
81.03419	12.7
81.07059	9.5
83.04973	25.8
85.02912	14.2
85.06527	8.7
86.66111	1.8
91.04919	2.9
91.05458	17.4
93.03403	6.9
93.07017	11.3
95.04947	9.1
95.08586	3.1
97.02885	9.7
97.06545	2.6
103.05451	3.5
103.07563	5.2
105.07025	16.4
107.04945	3.4
107.08601	15.2
109.02874	17.2
109.06507	12.4
109.10118	2.2
111.04420	5.2
115.05415	3.6
117.07021	9.9
119.08575	16.0
121.02842	5.6
121.06496	16.4
121.10133	7.2
123.08118	2.7
123.47961	1.8
127.03919	6.9
128.06200	4.0
129.06996	7.7
130.07790	2.4
131.08569	18.3
132.05693	3.4
133.10124	11.3
135.08061	30.2
137.05983	5.9
137.09615	2.3
139.03893	2.3
141.07010	2.6
142.07767	5.2
143.08574	13.8
144.02780	3.8
144.09331	8.9
145.06451	13.9
145.10097	13.3
147.08041	4.1
149.05902	1.9
149.09595	24.2
150.10356	2.8
151.11156	3.5
153.06981	2.4
155.08542	7.4
157.10132	6.0
158.07240	3.6
158.10922	14.0
159.08038	14.0
159.11662	27.6
160.08813	5.1
161.09616	7.8
163.07483	13.2
165.09149	2.4
168.09299	3.1
169.10120	3.1
170.10898	4.4
171.08044	7.5
171.11626	2.0
172.08827	20.5
173.09596	27.2
173.13234	34.9
181.06564	2.2
183.11699	10.0
185.09656	2.8
185.13196	2.9
186.10376	25.4
187.07597	3.4
187.11163	100.0
189.09077	5.4
191.07008	44.0
193.10165	1.8
196.08868	6.4
199.07573	3.4
201.12721	58.7
203.14268	2.1
205.12239	5.6
208.88669	1.6
211.11151	11.1
214.09848	4.7
214.71124	1.6
219.13841	4.3
223.07054	1.7
229.12241	61.7
247.13286	75.9
248.13589	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	247.1328
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
53.03928	2.6
55.05499	4.1
57.07071	100.0
64.16597	1.8
65.03919	2.8
65.21306	1.8
67.05488	4.9
69.03425	33.3
69.07046	1.8
70.17970	1.5
70.53426	2.0
70.53758	3.4
74.94671	1.8
75.58304	1.5
79.05082	1.6
79.05484	8.2
81.03418	15.1
81.07052	4.8
83.04971	17.6
83.26512	1.9
85.02901	14.4
85.06557	10.4
85.06996	2.0
91.05479	15.4
93.03377	2.6
93.07040	9.3
95.04955	4.9
97.02893	15.6
98.23328	1.9
103.05416	1.6
103.07590	5.0
105.04479	1.6
105.07018	11.7
107.04978	2.4
107.08592	12.7
109.02876	18.0
109.06490	9.6
109.10146	1.9
111.04423	5.4
111.08065	1.8
115.05447	2.9
117.07011	9.1
119.08566	12.7
121.02834	4.3
121.06506	14.9
121.10133	7.8
127.03902	8.2
129.07001	6.1
130.07794	2.5
131.08527	14.0
132.05710	2.3
133.06512	2.4
133.10121	6.7
135.08041	28.3
135.11653	1.6
137.05948	4.0
137.09637	2.1
143.08534	10.3
144.09348	9.5
145.06493	10.1
145.10071	9.6
147.07983	2.8
149.09599	19.9
150.10379	3.2
151.11113	3.4
155.08514	4.7
157.06422	1.9
157.10184	3.5
158.07320	2.1
158.10910	9.7
159.08020	10.9
159.11700	21.8
160.08809	4.9
161.09685	4.2
161.13290	2.3
163.07515	19.1
168.09290	3.6
169.10097	3.0
170.10823	2.9
171.08015	6.4
172.08795	12.2
172.42676	1.7
173.09619	29.0
173.13248	32.6
183.11661	9.4
185.13219	2.9
186.10382	22.5
187.07556	2.7
187.11157	83.2
189.09134	2.1
191.07019	36.6
196.08829	6.4
199.07516	3.2
201.12724	47.2
205.12233	6.2
211.11171	10.6
214.09805	4.4
219.13771	5.0
229.12253	59.6
247.13277	70.2
248.13536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Manicol
Peak:m/z	Relative Intensity
53.03939	1.5
55.01856	1.3
55.05489	2.6
57.07053	0.6
61.70745	0.8
65.03940	0.9
67.05489	3.2
69.03425	3.5
69.07062	5.3
79.05485	6.5
81.07047	9.9
83.04969	0.9
83.08631	1.2
83.62456	0.7
85.02903	0.8
91.05476	7.2
92.54292	0.7
93.07047	7.8
95.04965	4.6
95.08596	4.8
97.06512	0.7
103.05455	1.6
105.04543	0.9
105.07022	6.0
107.08581	10.8
109.02888	0.8
109.06496	5.6
109.10119	2.1
115.05459	1.4
117.07006	5.0
119.04906	1.0
119.08595	5.1
121.06488	10.6
121.10146	3.9
123.08047	2.5
125.98795	0.7
129.06998	1.6
131.04971	0.8
131.08559	6.7
133.06509	1.6
133.10109	2.7
135.08057	8.3
135.11597	0.9
137.05957	15.8
139.03871	2.2
141.05412	0.9
141.06972	0.9
142.07710	0.9
143.08543	1.9
145.06480	4.7
145.10123	6.2
147.08078	1.4
147.11661	1.5
149.04842	1.2
149.05963	14.4
149.09604	1.8
151.07561	1.3
153.05447	2.0
157.10094	0.8
158.10905	0.8
159.08017	4.0
159.11639	1.8
161.05977	1.2
161.09521	1.6
163.07544	9.7
163.14799	3.2
165.05469	34.3
168.09360	1.6
172.08815	1.5
173.06026	1.4
173.09621	2.7
173.13249	13.5
175.07587	1.2
177.05464	42.6
177.12851	0.9
179.07030	7.8
183.11707	2.9
187.07542	0.9
187.11192	2.2
189.09062	2.6
191.07033	15.3
191.08681	1.5
191.14297	29.6
193.08568	2.2
201.09230	0.8
201.12735	17.3
201.16362	1.2
203.10799	0.9
205.08542	1.4
205.12154	1.0
211.11107	1.1
217.08595	1.0
219.13792	6.6
229.12196	11.5
232.10941	3.3
247.07747	2.1
247.13275	100.0
248.13666	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	247.1328
Annotation	Furanoeremophilane-6,9-dione
Peak:m/z	Relative Intensity
53.03933	1.8
54.05787	0.8
55.01852	1.2
55.05502	2.2
67.01862	6.8
67.05501	7.3
68.43404	0.8
69.07059	2.2
69.72427	0.9
69.72765	3.0
79.05488	4.7
81.03418	1.6
81.07063	5.4
83.04960	1.6
83.28867	0.8
91.05476	4.8
93.07041	3.7
93.07550	0.8
95.04926	2.1
95.08591	6.7
95.41910	0.9
103.05487	1.0
105.04463	0.7
105.07035	4.4
107.08601	3.4
109.02871	78.9
109.06490	6.0
109.10155	10.0
110.03201	1.3
111.04422	1.3
115.05472	1.4
117.07005	3.5
119.08561	4.2
121.06503	1.7
121.10140	1.1
123.04383	1.1
123.08033	1.9
128.06206	1.1
129.06982	2.0
131.08572	4.9
133.06451	2.0
133.10115	1.6
135.08006	1.8
137.05952	3.1
137.09589	12.8
141.06993	1.3
142.07751	1.1
143.08519	2.5
145.06477	10.8
145.10103	3.1
147.08069	1.3
149.05960	2.2
149.09622	0.9
151.04042	1.0
151.07518	2.5
153.06900	0.9
155.08517	2.9
157.10081	1.8
159.08009	4.0
159.11647	3.3
161.06007	4.8
161.09605	2.8
163.07529	4.8
165.05565	1.1
165.06889	1.2
168.09373	2.9
171.08092	1.1
172.08769	1.1
173.06035	1.3
173.09602	2.2
173.13261	5.3
173.16589	0.9
175.07535	2.1
177.05440	5.9
178.06125	0.8
179.06979	1.2
183.11664	4.3
186.10384	1.2
187.07526	1.8
187.11147	3.3
189.06992	3.1
189.09058	1.8
190.07759	7.4
191.06982	12.3
191.08540	18.4
191.14310	1.1
196.08707	1.1
200.08333	1.0
201.09027	1.1
201.12747	10.6
205.08839	0.9
205.12169	1.4
211.11113	3.8
214.09929	1.8
217.12181	2.2
219.08049	20.5
219.10176	1.2
219.13773	7.0
229.12213	14.6
232.10982	0.9
247.07626	22.3
247.13272	100.0
248.07832	1.4
248.13608	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	247.1327
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03936	1.8
55.05507	73.9
56.05833	0.9
61.58567	0.8
71.68108	0.9
76.25568	0.8
82.31715	0.8
83.04974	100.0
85.26070	0.9
91.05470	6.9
102.42377	0.9
104.99269	4.6
107.04946	1.5
114.02334	0.7
116.26037	1.1
117.07037	2.3
119.08570	13.4
129.07030	0.8
132.05696	2.7
147.08028	40.4
247.13199	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.65430	1.0
55.01863	2.1
55.05498	5.3
57.03416	3.9
57.07053	1.5
62.95792	1.1
65.03918	1.8
67.05494	9.6
69.03417	4.2
69.07050	3.2
70.05288	1.1
71.04984	1.8
77.03911	1.9
79.05481	7.6
81.03422	1.9
81.07043	6.4
82.45480	1.1
83.04974	7.0
85.02898	3.2
85.06539	2.6
85.57610	1.2
86.09686	1.4
91.05028	1.2
91.05476	13.8
93.07040	8.3
93.69157	1.1
95.04966	12.7
95.08604	8.4
97.02866	3.3
97.06519	3.3
99.04464	1.2
103.05453	2.7
105.07030	16.3
107.04940	2.7
107.08598	10.6
109.02867	4.1
109.06497	5.3
109.10142	4.0
111.04433	4.5
111.08071	1.2
111.19202	1.5
115.05418	2.9
116.06252	1.3
117.07029	8.4
119.08574	17.6
121.02844	1.9
121.06476	6.8
121.10124	3.4
123.04428	16.9
123.08051	8.4
124.08884	1.9
128.06180	5.9
129.06978	10.3
130.07759	1.8
131.07645	1.6
131.08557	15.9
133.06479	3.3
133.10114	5.5
135.04375	1.9
135.08031	4.5
135.11653	1.3
137.02327	1.3
137.05954	5.2
137.09604	1.2
139.03864	4.1
141.06963	4.9
142.07767	5.1
143.08556	13.7
144.05658	1.9
144.09288	3.4
145.06487	7.5
145.10115	13.8
147.08015	4.6
147.11693	2.2
149.05995	3.4
149.09616	3.4
151.04033	1.4
151.20915	1.1
153.06967	2.4
154.07721	1.8
155.08571	8.9
156.05785	1.6
156.09315	2.0
157.06435	2.6
157.10091	8.6
158.07275	2.2
158.10933	1.7
159.08022	11.5
159.11694	10.1
161.06003	2.0
161.09596	5.9
163.07512	3.6
163.11200	4.9
165.05457	2.9
167.08563	1.6
168.09346	6.4
169.10092	2.1
170.10884	1.9
171.08049	5.1
171.11687	2.3
172.08807	3.6
173.09653	9.3
173.13280	9.8
175.07590	8.5
175.11185	3.8
177.09126	1.8
177.12740	1.6
181.06485	2.1
183.11668	12.4
185.09595	1.8
185.13205	4.7
186.10336	2.5
187.07568	6.9
187.11140	14.5
189.09108	6.2
190.09830	3.3
191.07002	4.8
191.10594	4.7
196.08786	3.6
199.07487	2.8
199.11159	5.3
200.08269	3.9
201.09155	2.9
201.12732	22.9
203.10652	6.3
205.12199	4.5
211.11192	6.3
214.09929	4.6
217.08606	2.1
219.08124	1.5
219.13742	7.8
229.12213	38.4
247.13271	100.0
248.13623	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Bullerone
Peak:m/z	Relative Intensity
50.25724	0.6
53.03921	0.7
53.90518	0.6
55.01849	2.0
55.05503	1.1
57.03409	0.8
59.02230	0.6
59.04976	0.7
67.01833	0.8
67.05495	3.4
68.99776	2.3
69.03426	4.9
69.07077	1.3
71.42656	0.6
74.60329	0.6
79.05478	5.2
81.03416	1.1
81.07056	4.7
83.01340	3.1
83.04964	1.1
83.33797	0.6
85.02886	0.9
91.05468	5.1
93.07022	3.3
95.04967	3.0
95.08597	3.1
97.02862	1.7
97.06529	0.9
103.05481	1.0
105.03394	0.9
105.04523	1.0
105.07021	3.8
107.04937	1.9
107.08610	3.4
109.02795	1.1
109.06492	2.3
109.10117	1.3
111.04437	1.5
111.55730	0.6
115.05450	1.2
117.06989	2.4
119.04937	1.1
119.08549	2.6
119.76660	0.6
121.02821	1.9
121.06501	1.6
121.10143	1.6
123.04418	2.4
123.08087	1.1
125.02343	10.5
125.05969	1.6
128.57578	0.8
129.07024	0.7
131.08536	2.7
133.06444	1.1
133.10115	2.1
133.87514	0.6
135.04378	1.9
135.08064	1.3
136.31705	0.6
137.02327	7.3
137.05963	2.2
139.03848	0.9
142.07761	1.4
143.08556	1.9
145.06471	1.9
145.10086	2.6
147.04378	1.4
147.08040	1.5
149.05972	2.5
149.09622	1.3
151.03914	1.5
155.08568	1.2
157.10016	0.9
159.08006	2.2
159.11662	1.6
161.09618	1.4
163.03902	3.3
163.07536	2.2
163.11128	1.0
163.14871	0.8
164.04622	1.4
165.05452	2.9
168.09340	1.0
171.08063	0.8
173.09558	0.8
173.13232	2.2
174.05475	5.1
175.07492	1.9
177.05437	19.9
178.06134	1.2
181.04982	7.3
183.03551	0.9
183.11748	1.0
185.05164	1.0
187.07617	1.3
187.11130	0.8
189.09096	2.1
191.07004	10.7
195.02280	0.8
197.17087	0.7
201.08960	0.9
201.12788	4.3
205.08591	2.7
205.12190	1.9
211.11043	0.8
217.08591	2.0
218.12949	0.8
219.08029	1.0
219.13753	3.8
229.12204	5.6
236.64922	0.6
247.13269	100.0
248.13776	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84763	0.8
56.96551	2.9
58.72499	0.8
66.58337	0.7
69.77731	2.5
77.96909	0.7
82.99851	1.6
91.05472	1.3
93.07030	2.8
98.97605	3.6
100.02494	1.0
101.00864	18.5
103.04880	0.5
103.05459	14.5
104.99229	1.0
109.57639	0.8
116.98611	2.5
118.03502	21.0
119.01905	100.0
119.47475	0.7
120.01982	1.8
120.08089	62.4
130.03500	1.1
130.06512	2.5
131.04915	4.1
131.05771	0.7
134.99666	1.5
136.04520	7.1
137.02946	38.2
138.03050	0.8
141.05092	0.9
142.03465	1.3
149.33008	0.7
150.05498	1.1
153.86276	0.9
160.06036	2.5
174.02548	1.2
178.07161	4.4
179.05537	1.3
202.07101	16.5
202.08823	1.4
203.05513	5.3
203.07133	1.1
206.06586	6.0
220.08185	4.9
221.06554	20.5
224.07520	1.4
230.06575	3.0
231.04935	1.9
238.09247	1.5
239.07680	5.6
242.08731	0.9
248.07637	41.4
249.06021	10.8
249.08279	1.0
265.94073	1.2
266.08710	29.0
267.07028	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	248.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72396	1.0
56.96287	2.3
56.96563	41.2
71.42715	1.0
72.96043	1.6
85.06413	1.3
86.09700	5.1
88.99182	1.5
98.97577	100.0
99.97910	2.6
110.97556	1.1
116.00182	1.4
116.98618	56.8
117.98959	1.4
119.01891	1.5
120.01997	2.0
122.99699	1.3
126.02255	1.6
134.01320	1.3
134.99641	23.1
140.03880	2.0
142.05394	2.8
146.99614	2.5
153.00679	2.3
158.04852	3.5
160.06462	4.8
165.00711	1.8
170.04907	1.3
171.03294	1.8
176.05937	1.5
188.05925	3.5
189.00577	1.2
189.04312	9.2
206.06996	5.8
207.05467	5.5
212.05710	1.2
224.02707	1.4
224.08043	8.5
230.06990	32.5
231.05391	2.1
248.03856	4.9
248.08051	65.9
249.08618	1.3
266.09073	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	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91485	11.2
56.61256	10.9
63.63808	13.5
80.38604	13.2
105.10932	11.7
128.19615	13.3
132.51120	12.1
140.70862	11.8
249.03685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60706	1.0
53.03944	8.9
53.58172	0.9
55.01872	12.5
55.05508	1.2
57.03437	11.5
58.06630	0.9
58.35801	1.0
61.02930	6.1
63.57319	1.1
67.05502	1.9
68.99791	5.0
69.03429	75.8
69.10065	6.8
71.01329	1.7
71.04985	9.4
73.02914	8.2
74.06078	1.2
75.88327	1.0
79.05489	1.8
81.03416	33.1
81.07050	2.5
83.01345	2.3
83.04984	1.2
85.02901	100.0
86.03283	1.1
87.00826	43.6
87.04456	2.0
88.07626	4.3
91.03992	1.1
91.05469	1.4
93.07045	2.4
93.36310	1.0
93.61234	1.0
95.04978	1.7
95.08621	1.7
97.02889	50.2
99.04453	26.9
101.02396	2.7
105.01867	17.5
105.07027	2.9
107.04938	1.0
109.02877	20.8
109.04810	2.3
115.03937	2.7
117.01855	1.8
117.06983	1.4
119.08569	2.2
121.10130	1.4
127.03913	51.6
127.05898	1.9
129.01802	3.1
133.10167	0.9
135.08064	1.2
145.04962	9.9
145.10136	1.5
147.02914	1.0
147.11736	1.7
159.02882	4.7
173.09622	1.1
180.24002	1.0
185.13278	1.4
189.03960	1.1
193.08557	2.2
200.20132	4.0
201.20505	1.6
213.04111	1.0
231.05002	4.1
231.13840	4.2
248.22244	6.0
249.14896	4.5
249.18517	1.6
249.22577	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	249.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
55.01875	13.4
55.05505	3.8
57.03437	13.3
59.05012	2.0
61.02931	5.4
68.60867	1.5
68.99783	5.3
69.03426	76.8
70.51830	1.4
70.70325	2.1
71.01357	2.0
71.05001	7.2
73.02915	10.6
79.05486	3.3
81.03414	44.4
81.07052	5.6
83.01339	1.8
85.02900	100.0
86.62434	1.6
87.00823	44.0
87.04465	2.9
91.05489	5.2
93.07055	4.9
95.04964	3.2
95.08627	1.9
97.02883	43.5
97.06526	1.4
99.04452	27.5
101.02372	2.4
105.01865	20.0
105.07023	11.9
107.08601	5.3
108.04493	2.2
109.02871	27.3
109.04887	2.2
109.06528	1.8
109.10184	2.3
115.03938	2.7
117.07005	3.6
119.08522	7.2
121.10141	3.8
121.19613	1.3
123.08070	4.8
127.03903	53.6
129.01866	3.3
129.07053	2.4
131.08560	3.7
133.06454	3.9
133.10141	5.7
143.08586	4.2
145.04979	6.1
145.10081	7.6
147.11685	4.1
157.10114	6.2
159.02875	3.6
159.11713	2.9
161.09627	4.0
161.13297	1.8
165.07016	3.9
171.11583	1.5
173.09604	3.9
175.11166	3.1
175.14792	3.9
179.62862	1.5
185.13341	3.9
189.12769	2.1
191.10681	2.5
195.58650	2.0
203.14320	5.9
213.12708	2.2
221.05998	6.7
231.04991	4.3
231.13850	8.7
239.56917	1.5
249.05420	10.2
249.14812	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	249.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76102	1.0
53.03941	7.8
54.73305	1.2
55.01872	11.6
56.05029	1.6
57.03433	12.0
61.02925	6.0
67.05507	2.4
68.99781	4.0
69.03425	73.7
69.07047	1.6
71.01339	1.7
71.04983	8.2
73.02913	10.5
74.06066	2.3
79.05475	1.6
81.03410	38.1
81.07049	3.0
83.01344	1.5
85.02898	100.0
87.00823	47.3
87.04446	1.7
88.07628	4.3
88.78201	1.2
90.81725	1.1
91.03945	1.4
91.05486	1.4
93.07008	1.6
95.04976	2.0
95.08593	2.4
97.02886	47.7
98.06065	1.3
99.04447	28.0
101.02377	3.0
105.01854	22.3
105.07023	4.0
107.08581	2.6
109.02869	26.5
109.04796	1.8
115.03910	2.4
119.08548	1.3
121.06588	1.1
127.03904	56.8
129.01834	4.0
129.07014	1.5
133.06465	1.7
133.10042	1.5
135.08072	1.4
143.08583	1.5
145.04942	9.3
147.02838	2.7
159.02905	4.9
161.09576	1.6
171.02779	1.4
175.07449	1.4
189.03944	2.1
193.08603	3.2
200.20094	3.9
201.20448	2.5
203.14392	1.4
213.03935	1.5
213.12599	1.2
222.59125	1.0
231.04948	5.7
231.13756	4.7
248.22238	7.7
249.05464	1.4
249.14752	5.2
249.22514	4.2
254.03947	1.0
262.54453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76102	1.0
53.03941	7.8
54.73305	1.2
55.01872	11.6
56.05029	1.6
57.03433	12.0
61.02925	6.0
67.05507	2.4
68.99781	4.0
69.03425	73.7
69.07047	1.6
71.01339	1.7
71.04983	8.2
73.02913	10.5
74.06066	2.3
79.05475	1.6
81.03410	38.1
81.07049	3.0
83.01344	1.5
85.02898	100.0
87.00823	47.3
87.04446	1.7
88.07628	4.3
88.78201	1.2
90.81725	1.1
91.03945	1.4
91.05486	1.4
93.07008	1.6
95.04976	2.0
95.08593	2.4
97.02886	47.7
98.06065	1.3
99.04447	28.0
101.02377	3.0
105.01854	22.3
105.07023	4.0
107.08581	2.6
109.02869	26.5
109.04796	1.8
115.03910	2.4
119.08548	1.3
121.06588	1.1
127.03904	56.8
129.01834	4.0
129.07014	1.5
133.06465	1.7
133.10042	1.5
135.08072	1.4
143.08583	1.5
145.04942	9.3
147.02838	2.7
159.02905	4.9
161.09576	1.6
171.02779	1.4
175.07449	1.4
189.03944	2.1
193.08603	3.2
200.20094	3.9
201.20448	2.5
203.14392	1.4
213.03935	1.5
213.12599	1.2
222.59125	1.0
231.04948	5.7
231.13756	4.7
248.22238	7.7
249.05464	1.4
249.14752	5.2
249.22514	4.2
254.03947	1.0
262.54453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01617	1.6
53.03942	2.4
55.01865	3.8
57.03428	4.5
61.02911	1.6
62.13471	1.2
69.03420	18.2
69.10970	4.1
69.11373	7.4
71.05005	2.5
73.02904	2.2
79.05472	2.2
81.03423	12.6
81.07037	3.6
85.02896	24.5
87.00829	9.9
89.03923	1.5
91.05479	12.5
93.07073	3.0
95.04973	2.6
97.02366	1.8
97.02890	10.4
99.04420	7.6
102.04684	2.6
103.05453	31.3
104.39342	1.6
105.01861	6.3
105.07003	8.8
107.04939	2.9
107.08593	2.9
109.02874	5.9
115.04633	3.2
115.05441	63.5
116.06251	4.8
117.07012	45.3
117.07806	3.2
118.04181	1.6
119.04938	3.2
119.08573	4.6
127.03930	14.1
127.05444	2.4
128.06233	6.6
129.07016	12.5
130.04123	7.7
130.07809	1.8
131.04916	56.7
131.08572	11.6
132.05702	4.3
132.97073	1.4
133.06488	5.0
133.10138	2.3
135.08023	1.9
137.05965	2.1
141.06995	5.1
142.07799	1.9
143.04916	37.3
143.06052	2.2
143.08513	3.7
144.05702	17.2
145.06467	51.2
145.10120	5.5
146.03610	24.2
147.04402	5.0
147.08090	6.2
147.11699	1.9
148.05165	25.7
149.05969	4.3
151.07478	2.0
153.07033	2.1
155.04898	10.1
155.06075	5.0
157.06459	5.1
157.10048	3.7
157.28889	1.7
159.03027	3.0
159.04382	18.6
159.08051	15.1
160.05186	57.1
161.02501	1.6
161.05966	38.3
161.09636	6.5
161.13205	1.9
162.06744	6.3
163.07529	40.0
165.07019	4.6
169.07570	1.9
170.07248	4.6
171.04396	4.3
171.08061	1.9
172.05168	8.0
173.05975	13.9
173.09641	2.0
174.03081	1.8
175.07529	100.0
176.08083	1.6
177.05475	3.8
177.09041	8.7
187.07524	40.8
188.04686	2.3
189.05453	39.8
189.09122	6.3
190.02658	4.1
190.06171	7.3
191.06996	26.5
193.06479	2.3
193.08754	2.3
201.05400	3.2
203.07021	14.1
203.14278	2.9
204.07768	4.6
205.05003	10.0
205.08578	21.9
207.06645	4.2
221.05972	7.4
221.07918	2.8
231.06569	23.9
231.10219	4.2
231.13795	5.1
249.05383	12.3
249.07631	32.7
249.11243	42.3
249.14684	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	249.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
59.04991	0.3
70.09619	0.7
87.08043	0.3
90.55378	0.3
104.99255	0.5
105.07024	0.3
115.05444	0.9
115.40421	0.4
128.06209	1.4
138.55399	0.3
139.06113	0.3
140.52625	0.3
141.06979	0.4
152.06194	2.5
153.06978	0.9
157.06433	0.6
157.72490	0.3
161.09543	0.5
165.06987	6.7
167.08557	1.0
169.06458	0.5
175.07433	0.4
176.06189	0.7
177.06966	1.5
178.07758	61.9
179.08434	4.2
181.06427	0.3
189.06972	1.1
189.12662	0.3
190.07790	0.7
191.08527	3.4
192.09302	3.6
193.10107	27.0
194.10481	0.9
202.07745	21.0
203.08527	17.0
204.09125	1.2
205.06465	2.9
206.07246	9.5
207.07999	1.6
219.08061	1.6
220.08827	2.1
221.09587	64.9
222.09904	2.2
231.07898	4.5
231.13861	1.1
232.08817	0.9
234.06731	4.1
235.21173	0.4
248.08275	1.3
249.09079	100.0
250.09413	3.7
250.17763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0911
Annotation	1-Hydroxy-6-methoxypyrene
Peak:m/z	Relative Intensity
55.01857	0.4
69.03419	0.3
70.36790	0.2
70.37125	0.5
81.07005	0.2
86.04036	0.2
91.05453	0.3
104.99226	0.3
105.07071	0.3
115.05441	0.7
128.06201	1.2
129.06999	0.3
141.06987	0.8
152.06161	1.7
153.06999	1.1
155.04958	0.5
157.06429	0.4
161.09607	0.3
165.06987	5.9
167.08562	1.1
169.06468	0.5
175.07527	0.6
176.06099	0.4
177.06944	1.7
178.07758	61.4
179.08409	3.4
181.06458	0.8
189.06960	0.7
190.07623	0.5
191.08527	3.1
192.09349	3.3
193.06427	0.9
193.10115	27.0
194.07314	0.3
194.10445	0.7
195.08063	0.4
201.07024	0.5
202.07747	21.0
203.08531	15.9
204.09178	0.7
205.06406	2.7
206.07256	8.8
207.08040	2.0
218.07254	0.3
219.08044	1.4
220.08786	2.1
221.09593	58.0
222.09927	1.7
231.07954	4.4
232.08665	1.0
234.06750	4.5
235.07339	0.3
248.08260	1.4
249.09081	100.0
250.09422	3.4
250.17766	1.0
251.99782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03940	0.7
55.01864	0.7
55.05502	1.1
57.03429	1.0
59.04996	0.6
67.05494	2.3
69.03416	3.8
69.07053	1.0
70.69497	0.6
70.69844	0.7
71.04973	1.0
77.75483	0.5
79.05476	2.0
81.03386	1.5
81.07040	2.3
83.04991	0.6
85.02885	4.6
85.06529	0.7
87.00855	1.1
91.05469	9.2
91.05990	1.0
93.07034	3.1
95.04935	2.4
95.08601	1.0
97.02906	2.5
97.06526	1.3
99.04455	1.5
99.81430	0.5
103.05458	1.4
105.01802	0.5
105.03359	0.7
105.07017	9.6
107.04352	0.5
107.04923	3.0
107.08581	1.9
109.02892	1.3
109.06500	0.5
115.05437	6.4
116.06227	4.0
117.07016	3.5
119.04901	1.6
119.08557	2.6
121.06467	2.0
121.10151	1.2
123.04384	0.6
123.08067	0.5
127.03893	2.3
127.05384	0.7
128.06215	10.6
129.06996	23.9
130.07721	0.8
131.04893	2.6
131.08557	21.8
132.05713	1.0
133.06491	5.1
133.10110	4.2
135.04390	0.6
135.08092	0.6
137.05963	0.6
137.41206	0.5
141.06972	11.1
142.07790	5.7
143.04913	1.4
143.08553	5.8
144.05679	11.0
145.06487	6.8
145.10123	3.7
146.03699	0.6
146.07306	3.8
147.04416	3.1
147.08023	2.2
147.11630	1.4
149.05952	0.9
149.09557	1.2
149.13109	0.5
151.07523	0.6
152.06203	0.7
153.06958	2.3
155.04877	0.9
155.06038	1.4
156.05672	2.2
157.06477	11.3
157.10043	1.8
158.07263	3.4
159.08037	30.1
159.11633	1.1
160.05147	1.2
160.08842	1.2
161.05980	4.2
161.09604	10.8
163.03874	1.4
163.07541	0.7
165.06992	1.3
167.07050	1.1
169.06409	1.6
169.07610	4.2
170.07242	9.4
171.04366	1.7
171.08032	8.5
171.11600	1.2
172.05173	3.2
173.05971	4.6
173.09550	2.7
174.06714	2.8
175.07512	4.9
175.11078	1.0
175.14777	0.7
177.05466	0.6
178.06256	1.1
184.05141	1.3
185.05997	1.0
185.13229	2.2
186.06760	1.1
187.07529	19.1
187.14841	0.6
188.08180	1.7
189.05484	4.2
189.09074	8.2
189.12685	1.0
190.06271	1.8
191.06993	1.7
191.08557	1.4
191.10635	1.7
192.09381	0.9
193.08534	1.5
198.06749	1.5
199.07565	2.7
201.05470	1.2
203.07025	5.8
203.14198	2.9
204.07811	13.3
205.08551	2.5
205.12146	0.8
206.09309	1.3
213.12698	1.6
216.07808	3.9
217.08586	1.3
218.09349	1.7
219.10121	1.6
221.05916	1.6
221.07954	1.3
221.11588	3.0
231.10194	6.6
231.13716	4.3
234.08731	1.0
249.05585	2.3
249.11177	100.0
249.14728	5.2
250.11493	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	249.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95260	0.5
55.01852	0.7
57.03419	0.5
58.96854	0.5
59.04997	0.6
69.03412	2.4
70.82825	0.6
72.04510	18.3
81.03415	1.3
81.36191	0.5
85.02905	2.9
87.00829	1.3
91.05475	1.2
92.46610	0.5
97.02883	1.9
98.97557	0.9
99.04458	0.9
100.03975	1.0
105.01898	1.0
105.07014	1.7
109.02871	1.0
115.05438	3.1
117.05743	3.1
117.07018	2.1
118.05022	24.2
118.06525	33.6
119.06847	0.5
125.42823	0.5
127.03899	1.6
130.06487	2.2
132.08080	81.5
133.06538	0.6
133.08470	1.0
134.99602	0.6
142.06474	3.4
143.04887	0.7
143.07309	3.7
143.08336	0.7
144.08073	18.5
146.05995	76.4
147.04366	0.6
147.06296	1.1
151.46043	0.6
160.07571	1.2
161.09550	1.6
170.05986	5.8
188.07050	100.0
189.07373	1.1
189.93803	0.6
190.96078	0.6
203.11807	4.6
221.06023	1.3
227.55960	0.6
231.13707	0.6
249.05450	1.1
249.12332	16.1
249.14612	0.7
249.18306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	5-Hydroxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
53.03934	1.8
55.01857	2.0
55.05491	6.3
57.03429	2.7
59.04978	3.0
61.26150	1.7
65.66850	1.6
67.05494	10.6
69.03402	3.0
69.07047	6.9
70.39482	3.2
71.04974	4.3
76.65482	1.5
77.03885	1.9
79.05488	17.0
81.07050	17.2
83.04975	8.2
85.06527	4.0
91.05473	23.2
93.07031	24.1
95.04958	23.1
95.08597	13.1
97.06517	9.9
99.04427	2.8
100.00937	1.4
103.05391	1.7
105.07020	33.1
107.04938	4.4
107.08576	19.4
109.06516	18.6
109.10142	4.4
111.04435	5.1
111.08072	3.2
115.05443	3.3
117.07014	9.7
119.06022	1.9
119.08575	21.4
121.06493	10.9
121.10155	7.4
123.04414	2.4
123.08047	10.2
125.05941	5.0
125.09545	2.0
125.28078	1.6
128.06209	5.3
129.06973	9.4
130.07779	4.5
131.08557	15.3
133.06467	6.8
133.10117	15.5
135.08032	8.7
135.11673	3.7
137.05963	2.8
137.09572	2.8
139.07536	2.2
142.07761	3.4
143.08543	20.3
145.06474	4.9
145.10115	28.8
147.08026	11.0
147.11671	6.3
149.09576	6.5
151.07513	4.9
153.09084	1.7
155.08525	4.0
156.09294	2.1
157.10107	11.5
159.08064	3.3
159.11702	7.6
161.09586	8.0
161.13181	3.5
162.10188	1.6
163.07635	2.1
163.11162	7.4
165.09082	2.9
170.10933	1.7
171.08038	4.3
171.11673	4.7
173.09624	13.7
175.07555	2.6
175.11197	6.5
175.14777	6.4
185.13226	18.0
187.11214	4.6
188.11935	1.7
189.08997	1.8
189.12718	5.9
191.10670	16.3
195.11691	3.5
198.10327	2.1
203.10649	1.8
203.14296	17.4
205.12141	2.3
213.12701	9.3
219.13835	2.3
221.15335	4.3
231.13780	33.1
249.14839	100.0
250.15146	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	5-Hydroxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
54.96843	5.1
55.05508	13.7
67.05492	8.5
69.07080	6.9
71.04987	11.0
79.05491	19.3
81.07047	19.0
82.57836	4.9
83.04985	19.4
85.06538	7.6
91.05471	27.0
91.25965	4.6
91.34916	4.9
93.07016	26.4
95.04961	15.4
95.08585	16.4
97.06555	10.4
99.04469	8.4
104.99292	9.2
105.07024	39.6
107.04967	7.5
107.08597	16.1
109.06517	10.9
117.07027	13.5
119.08590	19.4
121.06519	9.7
121.10101	9.1
123.08085	6.6
128.06259	4.8
129.07010	12.3
131.08549	24.8
133.06505	17.1
133.10162	18.4
135.08099	9.2
143.08543	24.2
145.06456	7.6
145.10086	40.8
147.08066	13.0
147.11700	4.6
149.09639	21.0
155.08565	5.3
157.10121	12.1
159.11679	8.2
161.09663	13.8
161.13223	5.2
163.11082	5.0
171.11758	8.2
173.09637	31.7
175.11179	10.3
185.13280	13.4
187.11209	5.5
189.12752	7.4
191.10695	21.3
191.14250	6.4
194.11784	7.3
203.14340	19.9
213.12622	10.7
214.02081	5.1
231.13832	38.8
249.14827	100.0
249.20415	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	249.1484
Annotation	5-Hydroxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
55.05495	5.3
56.50438	1.5
57.03425	2.6
65.03939	1.6
67.05509	7.1
69.03423	2.9
69.07066	2.3
70.87764	2.1
71.04990	10.1
76.96914	1.7
77.34480	1.3
79.05479	13.3
81.07048	18.7
83.04968	5.0
85.06530	6.1
91.05470	26.7
92.38197	1.5
93.07036	18.8
95.04960	16.0
95.08597	10.9
97.06539	8.7
99.04420	8.2
99.08105	1.8
102.39751	1.5
103.05463	1.9
105.07022	47.6
107.04934	4.7
107.08578	18.7
109.06500	10.6
109.10119	2.3
111.04398	2.0
111.08057	2.0
113.05984	1.9
115.05443	2.1
117.07018	14.3
119.08566	23.2
121.06493	7.4
121.10149	10.0
123.08038	6.5
125.06002	2.2
125.09634	2.6
125.54562	1.3
128.06203	6.7
129.06985	12.7
130.07767	5.7
131.08563	24.6
133.06450	8.5
133.10114	22.8
135.08047	6.5
135.11662	1.6
137.09612	1.9
141.06955	1.9
142.07741	5.2
143.08556	22.8
145.06432	5.1
145.10107	43.4
147.08017	13.3
147.11659	8.1
149.09613	11.2
151.07574	4.9
153.07024	1.5
153.09088	2.3
155.08575	7.0
156.09300	5.6
157.10117	17.4
159.08020	1.8
159.11673	9.6
161.09610	15.8
161.13254	5.5
163.11159	7.8
165.06946	2.0
169.10126	2.9
171.08046	5.3
171.11656	7.6
172.08659	1.7
173.09625	29.2
173.13197	2.0
175.11147	11.4
175.14810	6.1
177.12714	2.6
179.10794	1.5
185.13249	17.6
187.11140	6.3
189.09024	2.7
189.12704	9.3
191.10661	18.2
195.11687	3.6
201.12749	3.7
203.14308	21.4
205.12137	1.9
207.13730	2.9
213.12747	14.2
219.13730	1.6
221.15421	3.9
231.13788	36.9
249.14830	100.0
250.15210	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	249.1484
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
53.03944	2.7
53.46988	2.5
55.05495	8.5
57.07068	3.3
57.60695	2.2
59.04993	3.1
65.48872	2.3
67.05486	9.1
69.03423	3.0
69.07051	5.8
69.21774	15.2
70.71130	2.3
71.04980	10.1
71.59926	2.3
79.05473	13.9
81.07050	20.0
83.04949	6.9
83.39277	2.3
85.06532	3.7
87.46248	2.6
91.05468	27.3
93.07033	17.7
95.04951	19.1
95.08582	9.9
97.06516	7.3
99.04422	7.6
104.99266	3.5
105.07015	56.6
107.04927	5.3
107.08596	21.7
108.59316	2.4
109.06477	9.3
111.04365	3.2
114.11882	2.9
115.05440	3.3
117.07011	16.3
119.08565	26.3
121.06470	6.9
121.10117	9.0
123.08088	2.9
125.09592	2.9
128.06190	6.4
129.06975	13.7
130.07735	4.1
131.08568	31.4
133.06447	11.2
133.10109	21.7
135.07991	9.9
135.11581	3.6
137.05989	2.8
137.98225	2.3
142.07747	8.7
143.08533	26.0
145.06458	4.2
145.10117	54.0
145.87686	2.6
147.07997	12.3
147.11674	7.5
149.09583	12.5
151.07486	4.8
155.08522	4.8
156.09332	4.3
157.10121	19.2
159.07993	5.2
159.11696	14.3
161.09570	15.7
161.13191	6.9
163.11176	7.3
169.10121	3.3
170.10983	2.8
171.08044	3.3
171.11636	10.1
173.09583	30.7
175.07472	2.9
175.11116	9.0
175.14769	6.5
185.13245	14.8
187.11172	4.0
189.12697	8.0
191.10622	19.6
201.12729	5.1
203.14253	21.7
207.13838	2.9
213.12758	10.8
221.15334	5.1
231.13792	28.9
249.14815	100.0
249.18631	4.3
252.66794	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	249.1485
Annotation	5-Hydroxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
55.05489	7.6
56.32809	2.4
57.03430	2.8
59.04970	2.9
62.97780	2.1
67.05485	9.2
69.03423	4.1
69.07058	7.8
71.04957	7.5
73.56976	2.2
79.05505	15.5
81.07049	15.2
83.04960	6.7
85.06539	6.0
87.04464	3.8
91.05473	27.7
93.07026	23.1
95.04955	17.3
95.08586	10.8
97.06487	7.0
99.04430	6.1
103.05467	4.9
104.99242	4.7
105.07021	86.0
107.04974	2.9
107.08605	14.2
107.88969	2.4
109.06481	9.5
111.04401	3.1
111.08069	2.5
115.05421	4.9
117.07030	18.5
119.08569	24.7
121.06473	8.9
121.10178	5.2
123.04411	2.6
123.08057	5.0
125.05957	3.5
126.13083	2.3
128.06216	14.0
129.06993	24.1
130.07784	6.9
131.04901	3.3
131.08562	36.6
133.06477	39.5
133.10127	18.9
135.08031	9.0
137.05962	3.2
137.09595	2.3
139.57852	2.2
140.23402	2.6
141.06961	5.1
142.07758	10.8
143.08536	35.8
144.09232	2.9
145.06459	9.8
145.10121	62.8
147.08038	13.8
147.11652	6.4
149.09598	9.3
151.07533	5.2
153.09016	2.6
155.08545	15.3
156.09317	5.5
157.10115	22.5
158.07315	3.0
159.08008	4.6
159.11652	15.1
161.09595	19.9
161.13225	7.5
163.11143	7.6
165.07019	4.5
169.10059	3.8
170.10880	3.6
171.08047	6.3
171.11714	9.5
173.09610	53.0
173.13222	3.8
175.11183	8.5
175.14772	6.7
178.07732	22.3
179.10779	2.5
183.11795	3.3
185.13220	22.6
187.11153	6.6
189.09094	2.9
189.12750	13.3
190.91020	2.5
191.10687	29.2
193.10127	11.8
195.11688	5.7
198.10333	3.6
201.12686	9.7
202.07774	7.9
203.08464	8.4
203.10320	2.7
203.14317	21.5
205.12245	6.2
206.07298	4.1
206.41153	3.2
213.12672	19.2
219.13776	4.4
221.09718	21.5
221.15402	3.5
231.13785	52.3
234.06569	3.4
249.09137	36.3
249.12881	6.0
249.14825	100.0
250.15173	3.9
250.17859	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	249.1485
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
53.03939	1.5
55.01860	1.7
55.05506	3.7
57.03426	1.8
59.04989	1.6
59.55330	0.7
62.44591	0.6
64.99450	0.6
65.03919	1.4
66.07613	0.6
67.05495	6.0
69.03416	3.3
69.07048	2.5
70.54185	1.3
71.04992	6.6
79.05488	9.3
81.07050	10.0
83.04967	4.8
85.02896	1.5
85.06532	2.3
91.05472	19.9
93.07035	24.2
94.06572	0.6
95.04957	25.2
95.08588	6.5
97.02888	1.0
97.06529	6.1
99.04459	1.6
104.99203	1.1
105.04495	0.9
105.07019	37.0
107.04921	1.2
107.08585	17.8
109.06502	14.3
109.10123	2.4
111.04403	1.7
111.08042	3.7
113.05939	0.9
114.78952	0.7
115.05418	1.8
116.06239	1.1
117.07005	9.0
119.04915	0.8
119.08570	20.9
121.06497	11.5
121.10129	11.1
123.04404	0.7
123.08054	9.4
125.05962	1.3
125.09634	0.8
127.07587	0.8
128.06203	4.9
129.06985	6.6
130.07776	4.4
131.08554	18.2
133.06487	9.2
133.10115	14.9
135.08025	9.0
135.11671	5.2
137.05995	3.8
137.09644	3.5
139.07532	1.3
141.06985	2.0
142.07803	5.0
143.08549	15.7
144.09314	0.9
145.06497	4.8
145.10109	46.7
146.10464	1.2
147.08041	10.9
147.11655	8.4
149.09590	9.1
151.07541	3.9
151.11104	0.8
153.06949	1.3
153.09099	1.9
155.08559	4.1
156.09290	3.5
157.06578	0.7
157.10100	11.2
158.07274	3.1
159.08089	4.5
159.11676	7.4
160.08943	0.7
161.06076	0.7
161.09610	16.1
161.13217	8.4
163.11166	12.2
165.06952	1.8
165.09093	1.1
165.12717	0.8
169.10126	2.3
170.10869	2.3
171.08107	1.5
171.11682	6.7
172.08813	1.1
173.09610	21.8
175.07553	1.1
175.11177	7.8
175.14740	4.6
177.09088	0.7
177.12692	1.0
179.10632	1.4
179.14197	0.6
180.09273	1.0
183.08109	0.9
184.08835	0.7
185.09647	1.7
185.13229	10.7
187.11151	6.8
188.11917	0.8
189.09106	2.3
189.12729	12.0
191.10635	19.6
193.12222	0.9
195.11635	3.6
198.10370	2.1
201.12723	1.8
203.14276	16.3
205.12256	2.0
207.10150	2.7
207.13756	3.4
213.12717	11.3
214.12782	0.7
219.13806	1.3
221.15395	3.9
231.13766	47.7
232.14250	0.8
232.96605	0.8
249.14827	100.0
250.15309	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	249.1483
Annotation	5-Hydroxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
53.03932	1.7
55.01860	1.9
55.05511	5.5
57.03430	1.7
65.03931	1.7
67.05502	7.9
67.58997	0.9
69.03414	2.8
69.07066	5.1
71.04978	7.4
79.05479	10.1
81.03437	1.0
81.07048	16.8
83.04963	4.3
85.02905	1.0
85.06525	4.7
87.04456	1.4
91.05473	26.4
93.07036	18.9
95.04953	17.1
95.08590	10.0
97.06537	7.9
97.10175	1.3
98.22662	3.7
99.04455	11.7
99.08077	1.5
103.05456	2.1
105.07021	48.0
107.04955	3.7
107.08580	19.2
109.06516	10.0
109.10131	2.4
111.04432	1.9
111.08083	3.4
115.05447	3.1
116.06198	1.1
117.06994	17.3
119.04995	1.1
119.08574	22.1
121.06486	10.1
121.10153	7.7
123.08054	6.8
125.05978	2.6
125.09585	2.7
128.06221	8.3
129.06999	11.3
130.07784	5.8
131.04869	1.6
131.08554	27.4
132.27846	0.9
133.06503	11.5
133.10127	18.1
135.08038	8.2
135.11691	1.4
137.05937	2.3
137.09541	1.8
138.13708	1.0
139.07556	1.0
141.06973	2.8
142.07753	6.4
143.08542	22.1
144.09291	1.7
145.06468	5.1
145.10114	44.9
147.08035	12.1
147.11659	8.1
149.05956	1.4
149.09596	12.3
151.07550	5.3
151.11238	1.3
153.09097	2.3
154.07826	1.6
155.08517	7.3
156.09296	3.8
157.10100	15.7
158.07253	1.8
159.08075	3.0
159.11681	11.0
160.08711	1.2
161.09602	13.3
161.13193	5.5
163.11172	7.4
165.09085	2.4
167.08662	1.2
167.10634	1.9
169.10022	1.6
170.10867	1.8
171.08075	3.3
171.11681	7.8
173.08157	2.1
173.09604	31.3
173.13269	2.9
175.07521	1.7
175.11163	10.7
175.14755	5.1
177.09030	1.1
177.12752	1.4
179.10664	2.4
183.11653	1.5
185.09583	1.6
185.13254	16.5
187.11188	5.5
188.11755	1.0
189.09097	2.2
189.12721	11.5
191.10657	19.3
193.12256	1.0
195.11682	3.5
198.10335	2.0
201.12703	3.6
203.14302	22.3
205.12128	2.5
207.13760	1.7
213.12724	13.2
219.13794	2.1
221.15366	2.2
231.13794	34.3
249.14832	100.0
250.15276	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	5-Hydroxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
53.03944	1.9
55.05497	5.8
57.03431	2.1
59.04967	2.5
61.02893	1.7
63.42855	1.9
67.05511	12.7
69.03425	3.5
69.07052	5.5
71.04994	13.0
71.05360	2.3
79.05485	17.4
81.07058	21.5
83.04971	6.5
85.06532	6.5
91.05470	31.6
93.07040	29.4
95.04963	22.6
95.08598	14.0
97.06530	10.3
99.04440	7.7
103.05447	2.4
104.99246	2.3
105.06351	3.7
105.07030	62.7
105.07738	3.7
107.04964	4.7
107.08590	24.2
109.06509	16.0
109.10120	3.4
111.08081	4.7
113.05952	2.7
115.05453	5.7
117.07024	21.9
119.04966	2.7
119.08578	32.5
121.06489	12.9
121.10133	13.1
123.08051	7.7
125.06008	2.5
128.06229	7.8
129.06993	16.5
130.07765	5.6
131.04950	2.7
131.08566	36.7
133.06502	23.5
133.10127	23.6
133.56796	2.0
135.08069	9.1
135.11653	5.3
137.05997	3.0
137.09558	2.8
141.06970	3.2
142.07745	8.7
143.08545	30.1
145.06447	5.3
145.10112	61.8
146.07190	2.4
147.08043	13.4
147.11700	12.1
149.09627	9.8
151.07533	3.2
151.11183	2.2
153.09081	2.4
155.08521	7.3
156.09258	5.6
157.10109	23.9
159.08025	4.1
159.11694	13.5
161.09613	20.8
161.13240	7.7
163.11220	10.0
165.06981	2.6
165.09096	2.3
169.10117	2.9
170.10884	3.8
171.08000	4.5
171.11633	10.3
173.09605	39.2
173.13269	4.6
175.11221	15.9
175.14839	6.0
179.10614	2.6
183.11792	2.6
185.13271	17.7
187.11121	5.6
189.09030	3.7
189.12727	14.2
191.10651	29.8
191.14319	2.3
198.10365	2.1
201.12663	5.7
203.14294	22.6
205.12213	2.2
206.10924	4.4
213.12747	16.5
219.13710	2.6
221.15239	3.2
231.13783	47.3
249.12999	4.1
249.14845	100.0
250.15364	2.6
256.94147	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
54.37066	3.3
55.05505	8.9
57.03430	5.9
59.04984	3.8
67.05497	12.7
69.03413	4.8
69.07053	8.3
71.04995	15.9
79.05486	15.8
81.07048	22.9
83.04973	14.2
83.50042	3.5
85.06541	6.0
91.05464	39.1
93.07024	24.6
95.04969	22.9
95.08611	14.8
97.06521	12.0
98.22720	10.0
99.04449	8.6
104.99284	7.5
105.07024	65.3
107.04910	6.8
107.08579	23.5
108.36910	3.9
109.06515	14.5
109.10141	4.2
111.08065	6.1
113.06044	4.3
115.05476	4.9
117.07013	15.3
119.08572	34.5
121.06518	12.5
121.10120	9.5
123.08041	8.2
128.06209	7.4
129.06985	17.9
130.05795	3.3
130.07806	8.1
131.08571	33.5
133.06497	16.8
133.09233	4.8
133.10106	26.1
135.08025	10.2
135.11604	4.6
142.07750	10.1
143.08537	30.8
144.09306	4.3
145.06512	4.2
145.10118	53.8
147.07990	17.8
147.11684	9.0
149.09608	11.9
151.07478	7.6
155.08562	5.9
156.09366	7.2
157.10110	18.4
159.08055	7.3
159.11667	8.2
161.09598	27.0
163.11226	10.5
171.08018	7.1
171.11717	6.6
173.09586	40.2
173.13298	4.8
175.11215	21.8
175.14764	7.4
185.13246	29.8
187.11183	9.3
189.12746	12.0
191.10619	22.9
203.14319	22.4
213.12799	17.9
219.13728	5.7
221.15375	4.1
231.13802	49.3
249.14819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
55.05499	4.8
59.99342	1.7
61.12994	1.7
66.74787	1.8
67.05509	9.5
69.03413	4.1
69.07052	3.1
69.70466	2.8
69.70813	6.0
71.04990	8.6
79.05478	11.3
81.03407	2.0
81.07056	15.2
83.04961	7.1
85.02891	3.8
85.06538	2.4
90.97734	2.2
91.05463	21.8
93.07030	31.1
95.04954	28.3
95.08611	11.1
97.06518	6.0
97.10134	1.8
103.05426	2.8
104.99265	3.0
105.07020	43.2
107.08572	22.6
109.06499	16.7
109.10130	4.2
111.08047	3.8
115.05437	3.5
117.06986	9.5
119.08568	26.8
121.06520	9.4
121.10134	12.7
123.08051	10.1
125.05991	2.1
128.06247	5.3
129.06993	7.6
130.07750	6.6
131.08557	22.7
133.06485	12.5
133.10118	16.7
135.08051	13.3
135.11697	6.3
137.05928	5.3
137.09599	3.7
139.07521	1.9
141.06981	2.7
142.07741	3.7
143.08557	19.3
145.06445	5.8
145.10118	49.2
147.08018	13.1
147.11620	10.5
149.09563	11.7
151.07535	5.2
153.09070	2.8
154.07671	2.3
155.08546	3.9
156.09331	4.3
157.10109	8.9
158.07181	2.9
159.08005	4.0
159.11670	9.1
161.09584	17.4
161.13203	9.9
163.07462	3.3
163.11182	14.1
165.09097	1.9
169.10211	2.4
170.10863	3.5
171.11658	7.7
173.09586	22.7
175.11165	10.4
175.14822	6.5
176.11807	1.9
185.13182	12.6
187.11151	5.6
189.12694	13.2
191.10661	20.1
195.11700	5.9
198.10422	2.7
201.12810	2.4
203.14247	17.6
207.10132	3.7
207.13803	4.3
213.12759	13.5
221.15323	4.6
231.13776	54.2
249.14822	100.0
250.15082	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	249.1486
Annotation	5-Hydroxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
53.03934	2.9
55.01857	3.0
55.05498	5.3
57.03420	3.0
59.04971	2.0
63.37003	1.6
63.97133	1.5
64.30511	1.6
67.05496	10.9
69.03429	11.8
69.07058	4.3
70.43408	1.6
71.04979	5.7
79.05486	20.6
81.03399	6.3
81.07052	21.0
83.04971	7.4
83.08607	1.7
85.02888	9.1
85.06531	5.8
87.00800	5.0
87.04456	6.1
91.05470	30.7
91.68594	1.8
93.07035	20.2
95.04962	16.3
95.08601	11.7
97.02876	6.4
97.06528	5.8
99.04426	8.3
103.05475	4.1
105.07021	80.5
107.04938	3.7
107.08582	15.6
109.02897	9.0
109.06502	13.5
109.10136	3.6
111.04426	2.9
111.08042	1.8
113.05936	1.7
115.05457	2.5
116.06235	1.8
117.07002	17.0
119.08566	18.5
121.06496	8.6
121.10146	14.4
123.08037	4.9
125.05930	4.9
125.09604	2.1
127.03969	2.6
128.06198	7.9
129.06996	19.6
130.07747	6.6
131.04860	2.1
131.07639	3.4
131.08549	32.3
133.06470	38.2
133.10132	13.7
134.46506	1.7
135.08037	6.5
135.11674	3.3
141.06963	3.5
142.07768	6.1
143.08553	30.2
144.05763	2.4
145.06467	4.8
145.10126	46.9
147.08011	11.5
147.11646	10.3
149.09613	17.8
151.07550	3.5
155.08554	9.8
156.09265	2.1
157.10075	16.7
158.07181	2.1
159.08040	7.6
159.11688	10.8
161.09608	17.0
161.13229	8.1
163.11177	8.9
165.06992	4.2
169.10088	2.0
170.10927	1.8
171.08032	6.9
171.11655	12.0
173.09610	42.4
173.13234	4.8
175.11130	6.5
175.14795	6.9
185.09550	2.3
185.13237	17.6
187.11177	6.9
188.12071	2.5
189.09044	4.7
189.12733	13.2
191.10635	23.2
195.11732	4.8
198.10555	1.8
201.12721	5.4
203.10547	2.1
203.14291	20.5
205.12128	3.8
207.13860	2.6
213.12694	14.5
219.13766	5.2
221.05888	2.1
221.15378	3.5
231.10301	2.4
231.13794	49.4
249.11116	9.0
249.14833	100.0
249.18643	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	249.1486
Annotation	Gloeophyllol C
Peak:m/z	Relative Intensity
54.55996	1.2
55.22412	1.3
59.04985	1.2
60.17285	1.3
60.97513	1.3
69.03407	2.2
69.07065	2.8
73.84061	1.6
79.05465	1.8
81.07014	1.6
85.02897	3.0
91.05489	6.3
93.07031	2.0
94.01995	1.5
95.08574	1.6
105.03432	1.6
105.07029	3.7
117.07042	2.2
119.08579	7.3
124.13560	1.3
128.06235	5.0
129.06999	19.3
133.06503	2.7
133.10141	1.5
143.08566	4.8
145.06499	2.0
147.08051	8.2
151.07538	3.6
157.06503	29.3
157.10106	2.1
159.08080	1.5
160.05095	2.2
161.09583	3.2
163.07549	1.3
165.06953	1.7
171.08063	5.5
175.07539	100.0
176.07962	2.0
178.07822	2.0
183.08026	2.3
184.08815	2.7
185.09552	1.6
185.13277	4.7
189.12779	10.4
193.08592	11.0
198.10402	4.8
203.14372	2.4
212.31157	1.3
213.12718	13.5
221.05934	1.3
231.13789	62.9
232.14130	2.5
249.05455	2.6
249.09106	3.8
249.14789	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
55.05502	5.2
67.05503	9.4
69.03415	3.2
69.07053	2.4
69.52529	1.4
70.22657	1.3
71.03521	2.3
71.05000	7.5
77.10170	1.4
79.05491	12.8
81.07059	17.8
83.04962	5.2
85.02934	1.8
85.06524	6.8
91.00853	1.6
91.05479	26.2
93.07037	17.9
95.04975	11.7
95.08610	7.6
97.06518	6.1
99.04460	12.5
105.07024	39.6
107.04935	3.1
107.08583	17.9
109.06499	7.4
109.10125	2.7
111.04411	1.8
111.08091	2.1
115.05466	1.8
117.06997	11.2
119.04919	1.8
119.08577	21.6
121.06504	11.3
121.10142	9.4
123.08077	3.7
125.06026	2.1
125.09609	2.8
128.06219	5.5
129.07005	13.6
130.07758	3.8
131.04929	1.5
131.08554	27.5
133.06474	12.0
133.10123	12.4
135.08044	10.8
135.11650	2.6
137.05988	5.0
137.09586	2.7
139.84332	1.7
141.06969	2.2
141.09042	1.5
142.07732	4.3
143.08572	19.5
145.06438	5.9
145.10118	42.8
147.08038	11.7
147.11658	7.3
149.09625	14.0
151.07565	3.0
155.08578	7.9
156.09309	2.2
157.10123	11.3
159.08054	4.3
159.11664	16.5
161.09610	17.1
161.13237	7.1
163.11201	8.4
165.07059	1.8
167.10683	2.2
169.10147	2.3
171.08043	3.2
171.11685	11.6
173.09628	30.9
173.13161	2.1
175.07541	2.4
175.11172	7.0
175.14818	3.5
179.10652	3.6
185.13252	17.0
187.11156	6.0
187.49023	1.8
189.09067	2.9
189.12724	16.0
191.10657	16.2
195.11647	3.7
201.12712	2.4
203.14305	18.5
205.12201	4.7
207.13742	1.9
213.12741	13.2
221.15302	3.1
223.66745	1.9
231.13799	34.6
249.14851	100.0
249.25153	8.1
250.15326	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	249.1485
Annotation	Gloeophyllol C
Peak:m/z	Relative Intensity
55.01874	2.8
55.05500	3.4
59.04987	2.9
60.14451	1.7
67.05499	6.7
69.03421	8.4
69.07063	5.0
69.28156	10.9
71.04966	1.8
71.42713	1.6
79.05486	6.8
80.37223	1.6
81.03414	5.4
81.07043	8.2
81.42579	2.1
83.04977	3.2
83.08614	1.8
85.02900	8.1
87.00816	1.9
87.32107	1.8
88.33172	1.8
91.05473	12.0
93.07035	6.3
95.04962	5.7
95.08590	7.1
97.02882	1.8
103.05462	2.9
105.07024	12.7
107.04937	2.9
107.08585	4.5
109.02858	2.6
109.06509	4.6
109.10139	6.2
111.04459	3.4
115.05417	4.8
117.06973	3.0
119.08550	13.7
121.06487	3.7
121.10118	4.4
123.04386	2.5
123.08058	3.1
123.92486	1.5
127.03903	5.9
128.06232	5.9
129.06998	18.2
131.08574	2.6
133.06488	7.6
133.10139	4.5
137.06015	4.9
142.07848	2.8
143.04890	2.5
143.08562	6.2
145.06494	3.1
145.10077	6.9
147.08063	10.0
147.11636	2.2
149.09579	3.0
151.03961	2.6
151.07539	7.5
157.06444	27.8
157.10132	3.3
159.11624	3.4
161.05978	11.9
161.09613	4.1
161.13240	2.1
163.11115	3.2
165.05464	7.8
165.06906	2.4
165.12720	2.8
167.08530	2.5
171.08080	4.4
173.09627	2.4
175.07532	100.0
175.14854	2.2
179.03374	3.4
184.08826	2.8
185.09572	3.6
185.13177	5.8
189.05495	4.0
189.09111	3.3
189.12683	11.5
193.08595	12.6
198.10361	2.3
202.10027	2.1
203.10663	5.5
203.14296	5.4
207.06555	3.7
207.13808	2.2
213.12695	20.4
221.05975	6.6
221.15367	2.7
225.41548	1.9
231.10156	3.9
231.13762	68.7
232.14120	2.6
236.27580	1.9
249.05478	9.3
249.10997	31.5
249.14799	17.8
249.18584	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.59127	0.8
59.05001	1.0
67.05479	0.9
70.39703	1.9
70.40041	1.0
81.07047	1.2
91.21191	0.9
104.99230	1.2
105.07040	1.0
110.58410	0.8
119.08549	2.5
129.06966	3.5
147.07986	2.0
151.07539	3.7
152.06213	2.9
153.06967	1.4
157.06502	4.6
161.09596	1.8
165.06944	6.5
167.08583	1.2
175.07529	13.6
177.06999	1.8
178.07765	62.2
179.08389	5.4
189.12712	8.2
191.08562	3.2
192.09340	3.8
193.08580	7.6
193.10146	25.6
202.07753	21.3
203.08527	14.9
204.08926	1.6
205.06480	2.7
205.09363	1.8
206.07259	9.7
206.10100	2.0
207.07913	3.0
213.12775	3.4
219.07974	1.3
220.08786	1.7
221.09595	57.5
221.11865	1.9
222.09988	2.7
231.07938	6.4
231.13786	12.8
232.08698	1.4
234.06740	4.3
234.09439	1.8
249.09106	100.0
249.11842	7.9
249.14659	2.4
250.09625	7.4
250.17667	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	249.1484
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
53.03931	4.4
55.01857	8.4
55.05510	13.1
57.03420	4.6
61.02908	4.0
67.05499	11.8
68.99796	2.1
69.03059	3.2
69.03426	41.6
69.07048	5.8
69.53738	8.7
71.05007	11.1
73.02908	3.0
76.48309	2.2
79.05478	19.2
81.03407	15.3
81.07048	20.1
83.04955	9.1
85.02905	39.1
85.06529	5.0
87.00835	16.8
87.04454	10.8
91.05475	37.6
93.07032	24.1
95.04970	16.6
95.08604	14.6
97.02890	18.4
97.06519	9.8
98.23408	4.2
99.04436	9.8
103.05481	14.9
105.01852	8.0
105.07027	100.0
105.07740	5.0
107.04935	6.3
107.08589	16.5
109.02864	6.9
109.06516	16.2
109.10138	2.4
111.04423	2.6
111.08101	2.4
115.05453	20.1
116.06207	4.0
117.07007	39.4
119.04863	2.4
119.08574	38.9
121.06493	7.7
121.10131	3.8
123.08036	5.3
125.05958	4.7
127.03916	22.0
128.06252	14.9
129.07021	20.6
130.07767	4.8
131.04901	20.3
131.08562	35.9
131.09479	2.0
133.06488	26.9
133.10118	19.4
135.08023	8.8
138.87865	2.5
141.06996	5.3
142.07756	9.3
143.04875	10.1
143.08539	40.1
144.05627	4.9
145.06482	20.9
145.08969	4.2
145.10112	65.9
146.03650	6.5
147.08044	17.4
147.11711	11.9
148.05164	6.9
149.09602	9.2
151.07526	4.2
153.09123	2.6
154.35387	2.2
155.02477	2.5
155.04953	3.9
155.08531	12.4
156.09300	5.8
157.10114	21.7
159.04410	4.8
159.08043	9.4
159.11676	16.0
160.05222	13.3
161.05978	13.2
161.09589	23.5
161.13255	6.5
163.07538	13.3
163.11169	11.5
165.07028	11.0
169.10152	3.9
170.10896	4.6
171.07993	5.4
171.11636	10.8
172.05302	2.5
172.08765	2.5
173.05936	3.5
173.09622	36.2
173.13220	5.3
175.07545	44.0
175.11118	11.1
175.14825	9.5
176.07811	2.2
177.09091	3.4
179.88348	2.5
180.09276	2.6
185.09662	2.5
185.13249	20.8
187.07565	10.9
187.11162	7.3
188.04822	2.1
189.05510	10.7
189.09076	4.7
189.12685	12.4
190.06155	2.9
191.06985	9.2
191.10684	23.7
195.11700	9.0
201.12729	8.7
203.06990	4.2
203.14302	25.6
205.04974	4.0
205.08517	9.1
205.12183	4.3
207.13817	3.2
213.12729	23.2
219.13814	5.0
221.05969	8.3
221.15376	4.7
231.06615	5.4
231.13777	59.5
249.05560	12.7
249.07547	14.3
249.11180	7.0
249.14838	96.6
250.14980	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	249.1847
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
55.05506	22.8
57.07060	5.4
60.49414	1.5
67.05489	2.2
69.07061	8.4
69.89190	3.2
79.05486	7.3
81.07047	6.1
83.04980	37.1
83.05441	1.3
91.05465	12.4
93.07036	30.9
95.04951	2.8
95.08574	3.2
100.67870	1.2
104.99234	2.8
105.07029	11.3
107.08582	100.0
107.67529	1.2
109.06501	2.2
109.19901	1.3
119.08543	2.5
121.10131	66.1
123.08060	2.1
137.05933	1.4
149.13237	67.7
157.09978	1.3
161.09630	1.6
175.11276	1.4
191.10693	1.5
193.12236	6.2
203.22946	1.2
249.18488	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	250.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87970	0.3
55.77742	0.3
69.03419	2.4
70.70612	0.4
70.70959	0.3
76.62262	0.3
86.41441	0.4
95.04902	0.3
98.98460	8.7
105.07000	0.4
119.05148	0.3
119.08553	0.4
128.06212	0.6
141.06993	0.4
146.10471	0.4
152.06189	0.7
153.06999	1.1
155.04953	0.4
165.06987	4.1
166.07765	3.3
169.06581	0.4
174.99234	0.3
178.07771	5.5
179.08537	17.3
180.05730	1.1
180.08965	0.4
181.06483	5.6
189.07008	3.7
190.07620	0.7
193.06482	1.3
193.10129	3.3
194.07268	6.5
194.10838	2.2
195.07974	0.9
202.07771	1.4
203.08553	7.0
204.09256	4.3
205.09973	1.9
206.07230	0.7
206.09860	1.4
207.08069	11.4
207.10295	1.5
208.08575	0.8
209.05966	1.1
215.08618	1.5
217.06462	4.9
218.07205	0.7
220.11871	1.0
221.06088	0.4
221.09621	5.7
222.06763	5.6
222.10312	4.5
222.12708	1.8
223.07539	0.4
225.05457	0.4
231.08023	6.6
232.08852	3.5
232.11024	0.7
232.13994	0.4
233.09512	2.8
234.06636	0.5
234.09259	0.5
235.07527	19.5
235.09743	1.4
236.07936	0.6
248.47974	0.3
249.09126	3.2
250.09863	100.0
250.12030	5.8
251.10269	3.5
251.14276	0.5
256.24286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.6
57.03429	1.2
61.02929	0.9
62.67358	0.9
69.03432	3.9
70.06583	1.7
85.02901	14.6
88.07623	74.0
89.07968	1.1
93.07030	1.0
97.02879	3.7
98.98458	100.0
103.05458	1.0
109.02907	1.3
112.20515	0.8
116.98693	1.4
116.99498	1.9
121.06499	8.7
124.00312	1.0
127.03919	2.2
130.05008	5.5
134.99612	1.2
136.06169	2.3
145.04918	1.4
174.99203	3.2
183.27919	0.9
250.09032	1.1
250.11147	3.9
268.94467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.9354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03831	0.9
64.25718	0.9
66.78574	0.9
67.53823	1.0
67.84264	1.0
71.02630	0.9
94.93015	10.2
96.92820	3.4
98.98460	84.7
100.02411	1.3
104.10736	1.4
108.35147	1.0
116.98647	1.6
116.99461	1.7
136.94016	3.5
172.19319	1.0
174.99208	2.2
176.93503	100.0
192.93011	3.7
196.00987	1.6
236.84290	0.9
246.04593	1.1
250.93529	1.0
251.02963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.9354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39991	1.0
69.80131	3.5
70.44093	0.9
87.68597	0.9
94.93009	14.0
96.92796	2.6
98.97540	1.1
98.98470	4.5
136.94017	3.5
176.93503	100.0
192.92950	3.7
208.88495	1.4
244.54572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38748	0.4
59.05022	0.7
63.02424	0.4
67.05534	0.6
70.06604	0.5
77.01617	0.5
78.30196	0.3
79.05466	1.9
81.07062	0.4
89.03909	6.8
91.05490	0.7
95.04955	0.8
95.08614	0.5
98.98460	100.0
105.07007	0.8
107.04947	3.0
107.08606	0.5
109.10177	0.4
110.07613	0.3
115.05446	0.5
116.99490	2.0
117.03376	11.7
117.07016	0.6
119.08556	0.5
119.87162	0.4
131.08519	0.6
133.10085	0.5
135.04410	22.8
136.04697	0.4
145.01709	0.8
145.02837	16.7
146.03023	0.4
152.06158	0.8
161.05914	0.5
163.03889	78.3
164.04271	1.7
165.05373	0.3
165.06897	1.0
166.07660	0.5
167.08446	0.9
169.06464	0.9
174.99216	2.4
176.06216	5.9
176.93610	0.4
177.05472	0.7
177.06854	4.3
178.07521	0.5
181.06354	0.5
190.07742	2.1
192.05585	0.5
195.07886	1.0
203.08543	2.0
204.09167	0.6
205.06479	13.3
205.10109	6.9
205.11876	0.5
210.06593	0.8
215.08319	1.4
218.07207	1.8
223.07523	40.0
223.09531	1.3
223.10571	1.1
224.07639	1.1
233.05954	5.6
233.09613	5.6
233.11740	0.4
234.06590	0.5
250.05858	0.5
251.05075	58.3
251.10495	5.8
251.12488	1.0
252.05276	0.8
252.07503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.055
Annotation	Yunngnin A
Peak:m/z	Relative Intensity
54.70091	0.3
55.01879	0.6
55.05505	0.4
57.02843	0.3
59.05014	0.3
63.02376	0.3
67.05505	1.1
69.07064	0.5
69.34270	1.6
77.03950	0.3
79.05491	3.0
81.07053	4.3
84.74369	0.3
89.03907	8.7
91.05490	1.1
92.16842	0.3
93.07030	2.2
95.04971	1.5
95.08595	1.2
97.06539	0.6
98.98460	25.3
105.07011	2.4
107.04951	4.0
107.08603	1.3
109.06503	3.1
109.10170	0.5
111.04424	0.5
111.08073	0.4
111.46947	0.3
111.74962	0.3
115.05458	0.9
116.99530	0.5
117.03370	14.9
117.06960	0.5
119.04922	0.9
119.08608	0.8
121.06513	1.1
121.10111	0.5
125.06022	0.6
125.09639	0.6
128.06236	0.4
131.08575	0.8
133.06490	0.4
133.10104	0.4
135.04402	24.8
135.07979	0.6
135.11662	0.7
137.05960	3.5
139.07520	0.6
141.06996	0.3
143.04936	0.4
143.08536	0.6
145.02838	19.6
145.06493	0.4
145.10104	3.1
146.03166	0.3
147.04410	0.4
154.07755	0.3
159.11684	1.3
163.03886	100.0
163.11128	1.7
164.04207	1.5
166.75880	0.3
169.10089	0.5
171.11740	0.3
173.09610	1.0
174.99199	0.7
176.06128	0.6
177.06938	0.4
179.08551	0.5
181.04945	0.5
181.12198	0.7
187.11076	2.1
187.65765	0.3
191.10631	0.8
197.09641	0.8
202.30882	0.3
205.06425	0.7
205.12148	0.8
215.10670	3.1
223.07526	3.3
233.05937	0.8
233.11678	1.3
233.15340	0.7
235.01360	0.3
235.41095	0.3
251.05449	93.1
252.05806	1.7
264.75305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.055
Annotation	Yunngnin A
Peak:m/z	Relative Intensity
55.01902	0.5
55.05514	0.5
59.04990	0.4
63.02388	0.4
67.05508	0.8
68.76511	0.4
69.07075	0.6
71.05007	0.4
71.14570	0.3
71.41839	0.4
77.01620	0.4
79.05495	2.6
81.07057	1.0
83.04961	0.4
83.09456	0.3
88.31130	0.4
89.03909	9.9
91.05466	1.3
93.07032	1.0
95.04944	1.2
95.08609	0.5
97.06560	0.4
98.98458	100.0
99.98591	0.4
103.05422	0.4
105.06998	2.1
107.04935	3.7
107.08564	0.8
109.06510	0.5
109.10139	0.3
111.04492	0.5
115.05489	0.8
116.99490	2.6
117.03370	16.1
117.07019	0.7
119.08559	1.1
120.08098	0.6
121.06464	0.6
121.10103	0.6
123.08020	0.4
131.08546	1.2
133.06487	0.5
133.10124	1.1
135.04402	29.0
135.07974	0.7
136.06181	0.8
136.07419	0.3
143.08493	0.6
145.02835	22.1
145.10075	1.2
146.06004	0.4
147.04413	0.5
147.11630	0.7
149.09607	0.4
152.06264	0.5
157.10077	0.5
159.07982	0.4
159.11646	0.6
161.09541	0.4
163.03888	99.6
164.04224	1.2
165.07022	0.5
167.08495	0.4
169.06403	0.6
173.09605	0.6
173.13164	0.9
174.99184	2.7
175.11194	0.7
176.06157	1.5
177.05371	1.3
177.06960	1.8
181.06439	0.4
190.37738	0.4
195.07976	1.0
197.13174	0.4
205.06508	5.3
215.14180	0.7
223.07539	11.0
233.05972	3.0
233.15221	1.3
251.05363	89.2
251.09149	5.4
251.16116	1.7
252.05757	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
56.05013	0.3
67.05496	0.5
67.09304	0.3
71.04954	0.4
71.41329	0.5
72.19671	0.3
75.06474	0.3
77.01585	0.5
79.05477	1.4
81.07047	0.6
83.04951	0.3
84.04494	6.0
85.06530	0.8
86.09668	0.6
89.03889	1.7
91.05476	0.5
93.07043	0.4
95.04942	0.7
95.08595	0.6
96.99006	0.3
98.98453	100.0
103.05470	0.6
105.07014	21.0
106.07363	0.5
107.04935	0.6
107.08563	0.6
116.99490	2.3
117.03353	1.8
119.08527	0.8
120.08140	0.4
121.06504	0.6
122.09648	6.4
126.01029	0.9
130.05002	0.9
133.06517	0.4
134.41051	0.3
135.04390	3.6
135.08008	0.4
136.48839	0.3
145.02837	2.6
145.10075	0.5
147.11667	0.5
152.06186	1.2
153.07002	0.4
159.11731	0.5
163.03889	11.9
163.07501	0.4
163.11171	0.4
163.28094	0.3
165.06998	1.2
167.08565	1.0
169.06519	0.7
174.99181	2.8
175.07005	0.4
176.06189	6.6
177.05457	0.4
177.06958	7.1
178.07616	1.0
179.08667	0.3
181.06418	0.8
195.08023	2.0
197.05885	0.4
205.06458	17.4
205.13342	1.0
206.07002	0.4
207.07968	0.6
223.07512	41.6
224.07877	1.5
233.05954	8.3
233.08173	0.6
234.06699	1.1
234.11215	3.8
237.05476	0.5
250.06221	0.9
251.07004	35.6
251.09056	5.2
251.13852	1.2
251.16277	0.5
252.07341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1065
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
50.65213	0.3
53.03923	0.4
70.21384	0.3
70.21758	0.6
78.34274	0.3
95.08620	0.3
98.98460	25.3
113.23753	0.3
141.06989	1.0
141.86882	0.3
150.62589	0.4
153.06987	1.6
155.08553	10.3
159.08064	0.4
165.05644	0.7
165.06985	9.1
165.08386	0.6
166.07773	7.5
167.08517	1.3
169.06456	4.2
169.07660	0.6
174.99228	1.1
178.07753	1.0
179.08534	2.8
179.92148	0.3
180.09341	4.6
181.10078	6.1
189.06973	10.8
190.07759	34.9
191.08260	1.4
192.09279	0.5
195.07991	0.4
195.11682	3.5
200.04399	0.4
202.07732	1.7
203.08542	4.6
204.09375	2.4
205.10109	100.0
206.10454	3.1
207.07961	0.3
207.11604	0.4
208.08777	1.1
209.09596	31.2
210.09981	0.5
214.07779	1.2
215.08571	4.9
218.07246	23.3
219.07695	0.9
223.07550	1.4
223.11145	14.1
232.08736	0.6
233.09590	71.8
234.09904	2.3
236.08263	0.7
238.43993	0.3
243.09215	2.4
251.10651	41.4
252.11017	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1066
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
55.01876	0.2
55.05499	0.3
57.68201	0.1
67.05479	0.1
69.03417	0.1
69.70511	0.2
76.11940	0.1
81.03419	0.2
91.05396	0.1
98.98457	6.1
109.02861	0.3
115.05436	0.1
116.99494	0.1
120.97406	0.1
128.06160	0.1
128.51591	0.1
129.07031	0.2
130.07794	0.1
133.76819	0.1
139.05518	0.1
141.06976	0.7
143.08498	0.1
145.06480	0.1
152.06155	0.6
153.06972	1.3
154.07739	0.3
155.06100	0.1
155.08537	1.2
157.06473	0.3
159.08080	0.1
163.05309	0.1
164.06168	0.1
165.06982	8.9
166.07774	2.2
167.08548	3.4
168.05719	0.2
168.09103	0.1
169.06451	1.6
169.10124	0.2
174.99210	0.2
176.06168	0.2
177.06937	0.4
178.07727	1.4
179.08539	3.2
180.09317	7.2
181.06485	1.9
181.10091	3.4
182.07281	1.0
182.10335	0.1
183.08046	0.4
185.05994	0.4
186.45941	0.1
189.05408	0.1
189.06963	3.8
190.07755	14.8
191.08478	1.8
192.09294	0.4
193.06465	0.3
193.10098	0.9
194.07280	1.9
194.10516	0.1
195.08031	2.2
195.11671	6.1
196.08722	0.1
196.12010	0.1
197.06017	0.1
197.09689	0.1
202.07758	1.1
203.08542	2.5
204.09332	1.5
205.10104	21.0
206.07291	0.2
206.10548	0.6
207.06081	0.2
207.08029	3.1
207.11253	0.1
208.08806	9.3
209.06010	0.2
209.09578	2.9
210.06746	0.3
211.07483	0.3
215.08568	0.6
218.07246	1.8
219.08017	1.2
221.06001	1.4
221.09515	0.7
222.06775	0.5
222.10219	0.4
223.07544	1.6
223.11148	23.8
224.11525	0.8
232.08846	0.3
233.09590	15.3
234.10089	1.1
235.07520	2.7
236.08286	11.9
237.08638	0.3
249.09109	0.3
250.09689	0.4
251.10635	100.0
252.10989	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	251.1068
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
50.98707	0.2
63.29905	0.2
69.03407	0.4
70.93613	0.3
72.59880	0.2
81.03373	0.3
83.06097	0.2
93.39452	0.2
98.98457	22.6
109.02854	0.3
115.05419	2.1
116.99455	0.7
127.03852	0.2
131.08513	0.2
135.07895	0.2
139.05342	0.2
140.01123	0.2
141.06967	15.6
142.07510	0.3
152.06172	1.8
153.06892	0.7
155.08536	4.3
159.08046	7.4
160.08345	0.3
163.05592	0.2
165.06981	6.0
165.08362	0.4
166.07785	2.1
167.08562	3.1
169.06441	100.0
169.07591	9.2
170.06775	2.8
174.99199	0.7
177.06975	0.6
178.07732	1.2
179.08556	2.3
180.09328	3.3
181.06551	0.4
181.10065	1.6
183.11615	0.4
189.06985	2.1
190.07759	5.7
191.08517	1.2
192.09308	2.4
194.07303	0.3
195.08032	2.9
195.11690	4.1
202.07712	0.2
203.08504	0.5
204.09254	0.6
205.10106	8.0
207.04312	0.2
207.07919	0.4
207.11688	0.7
208.08821	2.6
209.09608	6.2
210.06702	0.3
215.08568	0.3
218.07239	2.0
221.05989	0.4
221.09514	0.2
223.07527	18.0
223.10925	3.8
224.07828	0.7
233.09578	6.7
234.09846	0.3
235.07451	0.3
236.08232	1.6
237.08870	0.2
251.06995	17.2
251.10605	61.6
252.07510	0.9
252.11055	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01863	2.9
55.05501	2.7
57.03427	1.3
65.03941	2.3
67.05498	9.7
69.03427	4.2
69.07059	6.6
69.21475	5.7
71.04973	5.0
77.67420	1.1
79.05488	18.9
81.03410	1.5
81.07053	21.9
82.07370	1.5
83.04977	6.6
89.03922	1.8
91.05479	13.2
93.07045	12.9
95.04955	9.9
95.08613	4.5
97.06519	4.8
98.22768	2.6
98.98460	94.0
99.04429	6.1
103.05396	1.5
105.04494	2.0
105.07024	24.6
107.04940	15.7
107.08589	10.4
109.06512	12.0
111.08113	1.2
117.03352	1.6
117.07006	9.4
119.04939	3.9
119.08566	6.7
121.06506	17.7
121.10113	3.3
122.33389	1.2
125.05993	4.7
127.07588	1.8
128.06287	1.6
129.06967	3.3
130.07803	3.7
131.08566	10.5
133.06448	2.6
133.10101	3.1
135.04387	3.5
135.08052	5.2
135.11694	2.8
137.05957	14.3
141.06998	2.3
143.08566	3.3
144.09349	1.3
145.02850	2.3
145.06500	5.4
145.10115	53.4
147.08144	2.3
147.11671	3.8
148.08826	4.7
149.06042	1.4
149.09676	1.4
151.07536	1.8
154.07710	2.0
158.07260	3.0
159.08054	2.7
159.11693	16.5
163.03891	11.3
163.11172	100.0
164.11493	2.1
169.10126	4.9
172.08949	1.8
173.09605	22.7
174.99261	2.6
177.12750	2.4
181.12299	1.4
187.11177	37.7
191.10654	15.4
197.09665	4.5
205.12187	15.7
215.10638	24.8
223.07587	2.6
233.11734	14.9
251.05304	10.1
251.12675	10.1
251.20090	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46591	0.6
52.19832	0.5
52.31160	0.5
53.03997	0.8
55.01874	2.8
55.05560	2.5
59.05040	0.6
65.03963	0.6
67.05491	6.3
68.99830	0.8
69.03468	1.7
69.07106	2.1
71.04987	4.0
77.03944	1.0
79.05487	15.0
81.03436	1.3
81.06563	1.6
81.07048	33.9
83.04974	1.4
83.08647	1.4
85.06550	1.2
89.03909	4.8
91.05468	8.4
93.07036	17.2
93.07603	1.1
94.89310	0.5
95.04964	10.2
95.08607	7.4
97.02873	1.8
97.06522	5.6
98.98457	100.0
99.04444	2.6
105.07015	13.5
106.07280	0.8
107.04942	6.6
107.08582	7.2
109.06509	24.6
109.10135	2.0
110.06782	0.7
111.08052	1.7
113.05970	1.3
115.05402	0.9
116.99448	2.6
117.02687	0.7
117.03363	7.1
117.07024	4.3
119.04934	10.0
119.08565	4.5
121.06485	12.3
121.10097	2.5
123.04348	1.1
123.08026	1.0
123.11667	0.9
125.05991	2.9
127.07478	2.3
128.06184	0.8
129.06915	2.4
130.07680	1.6
131.04840	1.5
131.08569	5.8
133.06476	3.9
133.10043	2.0
135.04404	15.4
135.05992	0.7
135.08035	3.8
135.11693	4.5
136.00063	0.6
137.05965	26.8
138.06311	0.7
139.07544	4.7
141.05399	0.9
141.06851	2.4
142.07750	0.6
143.08466	2.1
144.09206	1.1
145.02834	9.3
145.06447	2.8
145.10106	19.2
147.07959	0.7
147.11604	1.6
149.05902	0.7
149.09470	0.6
152.06078	0.9
154.07649	1.9
155.08414	1.6
157.08461	2.2
157.09975	1.4
158.07117	1.4
159.07912	2.4
159.11673	9.5
163.03886	46.6
163.11165	12.5
164.04201	0.8
167.08408	0.8
169.06256	1.3
169.10139	3.6
171.07916	0.6
171.11681	3.1
172.08653	0.7
173.09616	6.8
174.99162	3.2
176.06224	3.7
177.06941	3.0
177.12515	1.3
178.07397	0.8
179.08562	3.3
181.04999	4.2
181.06291	1.0
181.12206	7.2
182.07063	2.1
185.56729	0.6
187.11143	17.5
189.12662	0.6
191.10645	5.8
195.07916	0.7
197.09610	9.3
205.06479	8.1
205.08218	1.3
205.12207	5.2
215.10651	21.6
215.13658	0.9
215.17677	0.8
223.07133	27.8
223.09528	2.0
224.07648	0.9
227.12421	1.3
233.05531	5.1
233.11264	11.5
233.13823	1.4
233.14932	1.2
251.04950	34.0
251.12665	8.1
251.15994	1.9
251.19615	1.5
252.05367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	2,3-Dehydroillifunone
Peak:m/z	Relative Intensity
53.03941	1.6
55.01871	3.8
55.05508	19.6
57.03427	0.6
59.05006	0.6
62.85200	0.4
67.05503	4.0
69.03426	2.5
69.07066	4.7
70.06573	0.5
71.04965	1.0
71.42224	0.6
75.11730	0.4
79.05487	5.6
81.03428	0.9
81.07054	8.8
83.00655	0.4
83.01297	0.3
83.04980	5.3
83.08615	4.5
85.02921	0.7
89.03922	0.7
91.05482	4.5
93.07042	3.3
95.04966	2.7
95.08595	3.3
97.02899	0.8
97.06554	2.4
97.10163	15.1
98.98460	100.0
99.04443	1.3
105.07020	4.8
107.04951	1.1
107.08589	8.1
109.02864	2.8
109.06515	3.6
109.10150	4.9
111.04433	0.5
113.02360	0.6
113.97157	0.3
116.99475	2.3
117.03362	0.9
117.07011	1.4
119.04926	0.4
119.08575	4.2
121.06519	2.0
121.10126	1.3
123.04428	1.4
123.08065	1.4
125.02350	1.6
125.05978	1.7
125.09628	18.8
127.03912	4.4
128.06213	0.7
129.06972	1.0
131.04962	0.5
131.08553	1.8
133.06470	0.6
133.10123	2.0
134.07217	0.6
135.04408	2.7
135.08017	2.8
135.11682	1.0
137.05986	0.8
137.09599	0.7
139.03937	0.6
141.06973	0.5
143.08563	0.7
145.02846	1.1
145.06462	0.8
145.10085	1.7
147.07991	1.8
147.11656	1.2
149.05995	2.6
149.09587	1.7
151.03870	0.4
151.07561	1.5
153.05457	1.6
156.09259	0.5
159.07990	0.6
159.11711	2.4
161.09610	0.7
161.13252	1.4
163.03903	5.1
163.07535	2.2
163.11179	1.5
169.06493	0.7
169.10074	0.9
171.10210	0.6
171.11713	0.7
173.09598	1.7
174.99219	2.9
175.07564	2.0
176.06226	2.7
177.05452	5.3
177.06964	1.9
177.09079	0.6
177.12701	1.0
179.07027	1.4
187.11205	1.9
189.09164	0.6
189.12717	1.7
191.06999	7.4
191.10638	1.2
197.09656	0.4
205.06483	6.1
205.12193	4.1
207.13797	0.8
215.10664	1.7
215.17943	0.4
223.07526	21.2
223.13252	0.6
224.07828	0.6
233.06012	3.3
233.11711	12.1
234.06644	0.5
251.00038	0.8
251.07271	15.0
251.12750	19.6
251.16322	1.1
252.07254	0.7
252.13058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1639
Annotation	Dihydropseudoivalin
Peak:m/z	Relative Intensity
55.05504	4.0
57.03426	2.1
57.07070	2.3
67.05498	6.8
68.93909	1.3
69.03412	2.2
69.07053	3.1
70.05623	3.5
71.04987	3.5
79.05470	5.6
81.07046	10.8
83.04933	1.9
83.08588	1.8
85.06541	8.8
91.05469	8.9
93.07025	10.6
94.07358	1.1
95.04961	15.3
95.08604	7.7
96.58263	1.3
97.06517	5.9
98.98456	100.0
99.08099	1.3
99.47856	1.1
105.07025	24.6
107.04937	1.2
107.08581	12.2
109.06494	2.8
109.10175	3.3
111.08075	2.3
112.34057	1.3
116.99503	1.6
117.07007	4.7
119.08559	18.0
121.06503	4.6
121.10150	6.3
123.08050	3.6
125.09608	2.1
126.83448	1.1
129.06975	2.8
131.08553	7.8
133.10156	7.7
135.08052	6.9
135.11623	2.0
137.09593	5.2
139.11165	1.5
142.07794	5.7
143.08560	2.7
145.06413	1.4
145.10080	14.0
147.08067	1.7
147.11658	18.4
149.09602	5.4
149.13216	1.9
151.11081	1.2
153.70976	1.2
156.09247	2.0
157.10139	10.8
159.08066	2.8
159.11684	9.8
161.09598	1.4
161.13266	1.7
163.03835	1.7
163.11127	2.3
165.12752	1.8
167.08446	1.4
171.11679	2.7
172.12463	1.5
173.09605	3.0
173.13239	3.2
174.99225	2.2
175.11163	28.7
177.12732	3.3
182.10933	2.8
187.14780	8.0
189.12721	5.5
191.10707	1.6
191.14331	2.4
193.12216	10.3
197.13228	4.2
205.15826	4.1
207.13680	1.3
215.14290	10.1
233.15353	18.5
251.10776	2.2
251.16345	28.3
251.18643	1.6
251.24860	1.3
257.91199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Dihydropseudoivalin
Peak:m/z	Relative Intensity
55.05495	10.1
57.03431	4.7
57.07066	5.7
61.50058	2.1
67.05485	9.7
69.03418	4.1
69.07074	5.5
69.28677	8.4
69.29092	3.3
71.04980	6.6
79.05493	12.1
81.07054	23.1
83.04977	4.9
83.08589	3.8
83.84811	2.4
85.06530	39.7
89.55860	2.9
90.04588	2.2
91.05462	20.3
93.07021	21.5
95.04957	26.8
95.08054	2.7
95.08589	17.2
97.06529	16.0
98.98454	100.0
99.04432	2.6
105.07019	67.6
107.08584	27.6
109.06509	10.4
109.10134	6.5
111.08081	9.7
115.05414	2.3
116.06277	2.2
117.07012	10.8
119.08580	36.7
121.06503	14.9
121.10092	8.9
123.08047	11.2
123.11617	2.5
125.09600	3.7
127.81002	2.2
129.06964	4.3
131.08545	27.1
133.06491	4.8
133.10126	18.2
135.08032	11.4
135.11684	4.9
137.09668	11.5
142.07771	15.1
143.08543	6.5
145.10104	33.7
147.08058	6.4
147.11664	48.1
149.09578	8.6
149.13292	5.6
153.09137	5.0
155.08513	4.1
156.09335	3.3
157.10114	36.4
159.08014	7.8
159.11671	25.1
160.08791	2.4
161.09630	7.3
161.13324	3.6
163.11171	6.7
163.14793	3.6
163.92989	2.2
169.10144	5.4
171.11659	6.1
173.09560	7.4
173.13272	8.6
174.99205	3.6
175.11171	80.6
175.14792	2.6
177.12740	6.7
182.10905	5.0
187.14798	28.8
189.12730	11.7
191.14268	5.0
193.12209	15.1
197.13199	10.9
203.14285	3.5
205.15814	14.2
215.14282	32.3
233.15312	51.5
233.17567	3.3
251.10629	2.7
251.16353	65.6
251.18671	5.2
268.83612	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	251.164
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
54.98700	0.6
55.05509	1.4
57.07078	0.8
58.07041	0.6
59.04993	0.8
67.05495	2.5
69.03429	0.9
69.07060	1.6
69.18472	2.8
70.06581	1.2
70.39664	0.6
71.04974	1.6
77.01607	0.6
79.05505	2.8
81.03376	0.6
81.07053	6.4
83.04986	1.0
83.08616	0.8
84.04488	0.7
85.06543	1.1
89.03906	1.3
91.05465	3.6
93.07040	4.5
95.04963	1.9
95.08606	4.7
97.06548	4.9
98.22654	1.1
98.98459	100.0
99.04408	1.1
105.07021	11.6
107.04947	1.3
107.08593	7.4
109.06505	3.1
109.10124	3.6
111.08060	1.8
116.99486	1.8
117.03363	1.8
117.07043	0.8
119.08562	8.2
121.06485	2.0
121.10110	2.8
123.08069	2.2
125.06014	0.8
125.09631	1.1
127.07501	0.6
129.06998	1.0
131.08539	3.7
133.10110	4.1
135.04393	2.7
135.08040	2.5
135.11662	1.0
135.69304	0.5
137.09578	0.9
142.07780	0.7
143.08470	1.1
145.02885	2.8
145.06450	0.6
145.10115	10.2
146.10361	0.6
147.08003	1.0
147.11682	7.0
149.09607	1.7
149.75803	0.7
155.08504	0.7
156.09300	1.0
157.10162	2.9
158.07330	0.8
159.08018	1.9
159.11694	2.9
161.09618	1.4
161.13246	1.1
163.03880	11.5
163.14803	1.0
171.11661	2.3
173.09616	1.6
173.13263	6.1
174.99193	2.9
175.11166	2.4
177.09070	1.0
177.12743	1.2
177.16417	0.9
182.10889	1.1
187.11153	0.8
187.14807	7.3
191.10660	1.2
191.14275	1.7
193.12320	1.0
197.13274	2.1
203.14297	1.6
205.06477	1.5
205.12331	0.8
205.15851	5.4
215.14301	7.3
223.07602	3.2
233.05928	0.8
233.15349	17.1
234.11188	1.2
251.05128	8.4
251.09885	1.0
251.16397	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	251.164
Annotation	Madolin B
Peak:m/z	Relative Intensity
54.11129	0.5
55.01863	0.7
55.05504	3.3
56.40913	0.5
59.04998	1.1
67.05509	3.2
69.03429	1.5
69.07056	4.3
69.08680	0.6
79.05492	5.9
81.07051	5.3
83.04973	3.1
83.08616	1.8
91.05476	4.8
93.07034	6.8
95.04967	2.1
95.08593	6.2
96.78873	0.5
97.06532	4.1
98.23522	0.9
98.98456	100.0
99.08063	1.4
105.07006	6.4
107.04948	2.3
107.08585	14.0
109.06491	2.5
109.10162	4.2
115.05463	1.1
116.99512	2.4
117.06987	3.2
119.08578	6.4
121.06464	2.9
121.10120	5.9
123.08044	1.7
129.06992	0.6
131.08539	6.0
132.04396	0.6
133.06551	0.6
133.10121	2.0
135.04419	3.1
135.08040	13.4
135.11659	1.8
137.05937	1.2
137.09610	3.6
142.07758	0.6
143.08565	1.1
145.02765	0.8
145.06480	2.5
145.10104	8.0
147.08041	1.2
147.11664	4.6
149.05943	1.9
149.09628	5.0
151.07555	1.4
157.10051	1.0
158.10857	0.5
159.08032	3.3
159.11682	3.3
161.09605	1.2
161.13264	1.7
163.03900	6.0
163.07526	27.3
163.11147	2.3
163.14795	1.0
165.09038	0.7
173.09586	1.5
173.13298	1.2
174.99239	2.6
175.11169	1.7
175.14833	0.8
177.09071	10.6
177.12645	0.6
177.16335	2.9
182.10963	0.6
184.36720	0.6
187.11165	1.1
187.14774	5.2
190.13397	0.6
191.10623	0.8
191.14302	2.4
192.06546	1.9
197.13217	0.6
203.14240	1.0
205.15869	30.6
206.16194	0.9
215.14326	5.1
218.13036	0.8
229.23334	0.5
233.15335	65.1
234.15622	1.6
251.05345	4.7
251.10614	1.9
251.16373	30.9
265.30920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0858
Annotation	Dehydroeffusal
Peak:m/z	Relative Intensity
55.01864	0.8
63.95004	0.4
70.92507	0.7
95.08591	0.7
98.98457	46.2
107.08578	0.5
116.99485	1.3
125.98607	0.4
141.06979	1.6
143.04889	1.6
152.06154	0.5
153.06943	1.5
154.07736	1.3
155.08522	1.5
161.69621	0.4
165.06984	1.1
169.06467	0.6
169.10089	1.1
174.99168	0.7
176.98885	0.6
177.06953	0.6
178.07758	30.1
179.08533	46.8
180.08878	1.6
181.06415	0.7
182.07285	0.8
183.08049	4.3
183.11465	0.4
189.06946	1.2
195.08041	1.0
197.05981	0.5
197.09593	3.4
197.11542	0.8
206.07263	1.9
207.08028	82.8
208.08382	2.9
209.05954	0.5
211.11205	0.7
225.05449	0.6
225.09103	5.0
235.07507	83.7
236.07750	2.0
238.06189	1.8
253.08565	100.0
253.15833	1.6
254.08913	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	253.1223
Annotation	6-Hydroxy-7-methoxy-1,2-dimethylphenanthrene
Peak:m/z	Relative Intensity
55.01875	0.5
69.03394	0.4
69.10870	1.5
69.11274	1.0
73.55132	0.4
76.21259	0.3
81.07053	0.7
90.78897	0.4
98.98457	23.8
109.10134	0.4
116.99503	0.7
135.53995	0.4
141.07019	0.6
153.07002	1.0
154.07793	0.4
155.08557	2.6
165.06963	2.8
166.07820	0.9
167.08481	0.8
168.09370	0.9
169.06442	0.5
169.10086	1.2
174.00974	0.4
178.07788	1.4
179.08510	2.5
181.06410	2.3
181.10066	1.4
182.07211	0.4
183.08025	2.7
183.11682	2.3
184.08813	0.5
187.08884	0.4
191.08565	1.0
192.09329	4.1
193.06427	1.2
193.10149	4.3
194.07187	2.0
195.08049	7.0
195.09695	0.7
196.08870	2.7
197.06036	0.4
197.09608	1.8
197.13211	0.6
198.06792	0.7
202.07773	1.5
205.06468	1.3
207.07983	1.5
207.11638	2.8
209.09586	5.3
210.06854	0.7
210.10370	1.7
211.07759	5.1
211.11153	30.5
212.08051	0.5
212.11494	1.2
217.10100	1.0
219.08017	1.6
220.08833	3.6
223.07530	7.6
223.11014	0.7
224.07857	0.6
225.09090	15.2
225.12381	1.8
226.09531	0.5
235.11145	9.5
237.09085	18.2
238.09819	4.0
239.06844	0.5
245.38615	0.4
251.10635	3.3
253.12210	100.0
253.15796	4.4
254.09418	1.8
254.12578	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	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.3
57.07071	1.0
57.80740	0.4
63.17098	0.5
63.59492	0.4
67.05483	0.7
69.03415	0.8
69.76023	1.7
73.06551	4.4
78.00697	0.4
79.05463	0.7
81.07049	0.6
84.04490	5.2
85.02889	0.9
88.25652	0.4
98.28043	0.5
98.98456	100.0
100.98886	1.4
106.06547	21.9
116.98618	2.1
116.99489	3.0
118.06484	0.8
121.97566	0.4
123.79539	0.4
124.07572	0.6
134.99669	0.9
141.05449	0.7
144.08060	0.8
171.09151	6.2
172.07574	0.6
174.99258	1.4
176.98875	0.8
194.09232	1.8
197.01112	1.0
197.11717	0.9
217.09669	5.0
218.08101	1.4
235.10748	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	253.1434
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
52.87568	1.0
53.03938	1.3
55.01868	3.6
55.05501	7.6
57.03440	1.8
57.07061	1.3
65.03923	1.6
65.20928	1.0
66.92634	1.0
67.05497	12.0
68.99788	3.4
69.03416	1.2
69.07072	9.3
70.34653	2.5
71.04997	1.7
79.05486	13.2
81.07053	41.7
83.04969	6.1
83.08627	3.9
85.06547	4.7
86.87804	0.9
87.14046	1.1
91.05473	9.7
93.06456	1.7
93.07034	20.6
95.04967	4.1
95.08601	19.5
97.06538	5.5
97.46706	1.1
98.98462	100.0
99.04499	2.1
99.42964	1.0
100.98875	1.8
105.07026	36.2
107.04966	1.7
107.08590	25.5
107.09260	2.1
107.49231	1.0
109.02811	1.0
109.06515	14.4
109.10153	4.9
111.04436	2.0
111.08090	2.9
111.34196	1.0
111.58906	1.0
113.05997	1.7
116.99531	1.8
119.04932	1.5
119.08569	21.1
121.06490	9.7
121.10125	22.3
121.10972	1.4
123.08052	8.7
123.11698	31.4
125.05975	2.0
127.07553	6.9
129.07025	1.4
131.08592	4.5
133.10107	5.1
135.08076	3.0
137.05986	3.7
137.09634	3.4
137.13266	1.9
139.07555	12.8
142.07849	1.6
143.08588	2.4
145.10141	3.9
147.11673	83.3
148.11967	1.3
149.13268	2.2
153.05476	5.9
156.09348	2.0
157.10121	3.6
159.07948	1.4
159.11729	1.8
161.13263	3.8
165.05537	3.0
165.06989	2.0
165.12746	94.5
166.13078	1.8
171.11687	5.9
173.13272	2.2
175.07365	1.1
175.11200	6.4
176.98915	2.0
183.13797	13.2
189.12740	8.8
191.67943	1.0
193.12224	13.3
199.11186	5.7
205.12340	1.5
207.13847	5.9
210.06725	1.3
217.12192	14.7
219.39104	1.3
221.00993	1.0
221.05931	1.3
229.14317	13.8
235.13263	25.7
249.92032	1.1
253.05049	2.1
253.08708	4.6
253.11974	1.7
253.14369	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	253.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09565	0.5
55.05507	0.5
55.41598	0.4
55.47556	0.5
57.07066	0.9
60.86345	0.4
67.05466	0.7
69.07069	1.1
69.83134	1.7
71.04974	0.6
78.59886	0.5
79.05481	1.0
81.07061	3.0
83.04971	0.6
91.05435	0.9
92.59348	0.4
95.08587	1.0
98.22752	0.6
98.98460	43.7
99.48032	0.5
100.98882	0.7
101.24521	0.4
105.07049	2.8
107.08575	0.8
109.10131	0.6
116.99481	1.1
119.08577	8.7
121.10130	0.8
129.06978	1.9
135.02267	0.6
141.06970	2.8
142.07748	1.5
143.08545	2.1
147.11636	1.0
147.40379	0.5
153.06963	2.4
154.07738	1.4
155.08551	5.0
156.09294	1.5
157.10095	1.6
165.06961	1.8
166.07755	1.1
167.08519	5.9
168.09326	4.1
169.06444	2.1
169.10123	10.4
170.10829	0.7
171.11690	5.8
171.41354	0.5
174.99252	0.8
179.08543	1.8
180.09279	1.2
181.06461	2.1
181.10109	10.9
182.07172	0.9
182.10930	3.7
183.08075	2.0
183.11667	9.4
185.09612	3.4
190.07722	0.7
191.08574	0.6
192.09254	1.3
193.10127	5.5
194.07271	0.7
194.10774	0.8
195.08002	5.4
195.11679	13.7
195.13521	0.7
196.08815	7.9
196.12436	7.9
197.09627	2.8
197.11310	0.5
197.13243	1.5
203.17966	1.0
205.10138	3.8
206.10909	0.9
207.11678	1.2
208.08836	3.4
208.12357	0.5
209.09612	15.5
209.13182	4.4
210.10397	7.3
210.13991	9.4
211.09142	1.0
211.11180	20.4
211.14771	16.6
212.11563	0.5
220.12396	2.8
223.11160	35.0
224.11920	12.3
225.12889	2.4
225.16348	10.9
225.18547	0.7
235.14783	5.2
238.13506	30.3
239.13786	1.1
240.12032	0.5
253.15874	100.0
254.16263	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	253.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25267	0.4
55.05500	0.9
57.07060	0.5
60.45803	0.4
67.05477	0.8
69.03427	0.6
69.07052	1.5
69.55080	2.0
79.05486	0.5
81.07050	2.4
83.04920	0.5
91.45609	0.4
98.98455	42.3
100.98914	0.5
105.07030	0.4
116.99461	0.8
117.06955	0.5
119.08546	0.8
127.20674	0.4
128.06197	1.1
129.06995	1.8
140.95396	0.4
141.06958	3.7
142.07735	1.8
143.08563	3.0
144.08923	0.5
149.50275	0.4
152.06183	1.0
153.06989	3.0
153.08057	0.5
154.07755	2.1
155.05066	0.4
155.08522	5.8
156.09288	2.4
157.10088	1.9
159.08112	0.5
165.06950	3.3
166.07788	2.8
167.08551	7.1
168.09337	5.0
169.06477	2.1
169.10114	12.3
171.08055	1.7
171.11674	5.2
174.99251	0.6
176.98929	1.0
178.07773	1.7
179.08565	4.4
180.09294	1.8
181.06563	2.4
181.10088	14.6
182.07236	1.3
182.10910	4.6
183.08038	2.8
183.11667	13.2
183.13303	0.7
185.09558	2.9
189.07080	0.5
190.07838	0.9
191.08572	1.7
192.09331	2.6
193.10109	5.3
194.07262	0.8
194.10825	1.3
195.08061	6.1
195.11665	14.2
196.08815	9.6
196.12436	9.3
197.09572	3.4
197.11160	0.4
197.13237	2.0
205.10143	3.5
206.10780	1.1
207.07976	0.6
207.11720	2.3
208.08791	2.8
209.07617	1.0
209.09595	18.2
209.13112	4.5
210.10385	9.0
210.13985	9.7
211.11168	26.0
211.14751	19.3
211.16823	0.9
212.11502	0.7
212.15045	0.5
220.12502	3.9
222.10522	0.5
223.11143	43.2
224.08472	0.7
224.11922	14.9
225.09135	3.3
225.12816	2.7
225.16339	11.3
235.07452	0.5
235.11090	1.5
235.14774	5.3
236.11728	0.5
237.12650	0.8
238.13487	36.6
239.13817	0.8
253.08612	1.9
253.12219	14.2
253.15836	100.0
254.16151	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	253.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69138	0.1
55.05507	2.4
59.04993	0.2
63.80522	0.1
67.05494	0.2
69.07051	0.5
72.27498	0.2
79.05479	0.2
81.07044	0.4
83.04949	0.1
83.08615	1.6
91.05471	0.2
95.04939	0.2
98.22697	0.4
98.98457	10.3
103.20918	0.2
115.05455	0.4
116.99489	0.3
128.06239	0.4
129.07004	0.9
141.06966	1.4
142.07753	0.3
143.08551	0.5
143.27704	0.1
153.06978	1.7
154.07774	2.3
155.08537	44.7
156.08858	0.9
157.10120	0.4
165.07007	0.7
166.07762	0.3
167.08556	0.7
168.05714	0.2
168.09340	0.6
169.06564	0.2
169.10112	4.6
171.11693	0.8
174.99242	0.2
176.98721	0.2
178.07719	0.3
179.08490	1.1
180.09502	0.2
181.06514	0.3
181.10088	1.7
182.07291	0.8
182.10806	0.4
183.08037	11.0
183.11633	2.4
184.08577	0.4
185.09570	0.2
193.10133	0.7
195.08006	0.7
195.11693	1.2
196.08827	0.5
196.12428	1.6
197.09663	1.7
197.13264	0.5
198.76524	0.2
201.09059	0.2
205.10109	0.3
207.11646	0.3
208.11589	0.2
209.09610	1.8
209.13232	0.2
210.10367	0.8
210.13983	1.4
211.11183	1.5
211.14784	1.0
220.12466	0.3
223.11154	2.6
224.11967	1.8
225.12744	0.4
225.16374	2.4
235.14772	0.4
237.12746	0.3
238.13484	2.4
253.15837	100.0
254.16167	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	253.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29450	0.5
55.05514	1.3
57.07071	1.6
67.05500	1.2
69.03416	0.7
69.07061	1.4
73.35848	0.5
79.05502	1.3
81.07040	3.6
95.04958	1.0
95.08594	1.3
97.06521	0.6
98.98466	84.5
100.98915	1.1
105.06994	0.9
106.43586	0.5
106.61737	0.6
109.10182	0.8
109.83375	0.7
115.05396	0.7
116.99521	2.1
119.08580	1.4
119.24771	0.6
128.06287	0.9
129.07021	2.9
141.06985	5.0
142.07764	2.8
143.08554	2.8
149.13393	0.6
153.06952	3.1
154.07826	3.1
155.08543	6.5
156.09326	1.5
157.10110	1.5
165.06908	3.5
166.07759	2.6
167.08575	6.7
168.09351	4.8
168.23393	0.6
169.06439	1.2
169.08823	1.0
169.10130	12.4
170.10657	0.6
171.11697	7.3
174.99164	1.6
176.98932	1.3
178.07722	2.7
179.08537	3.1
180.09328	1.8
181.06534	3.1
181.10124	15.2
182.07227	2.1
182.10901	4.9
183.08145	3.1
183.11685	13.6
185.09563	3.4
190.07784	0.7
191.08537	0.8
192.09372	1.4
193.10139	7.4
194.10892	1.2
195.08034	7.0
195.11681	15.5
196.08847	9.9
196.12462	11.3
197.06039	0.7
197.09613	3.6
197.11436	0.7
197.13245	2.5
205.10147	3.6
206.10893	1.5
207.07980	0.6
207.11707	1.5
208.08836	4.4
209.09610	17.1
209.13194	4.5
210.10403	8.3
210.14005	11.0
211.11191	28.2
211.14771	21.5
216.25182	0.6
220.12500	4.0
223.11172	46.2
224.11937	14.4
225.05470	1.3
225.12863	3.6
225.16350	12.2
235.07272	0.8
235.14879	6.8
237.13054	0.7
238.13512	42.6
239.13866	1.0
253.05135	1.2
253.08788	4.6
253.15869	100.0
254.16205	2.5
266.91098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13754	3.2
52.71421	2.4
61.02910	9.5
71.01350	6.3
71.31497	4.3
71.42503	2.8
75.04484	18.9
89.02395	4.9
98.98466	24.5
103.03920	23.0
130.68611	3.0
131.03404	8.9
159.02873	64.5
162.42523	2.3
187.02295	4.7
219.04955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66023	1.8
55.72168	1.7
56.96553	5.0
57.03431	2.9
57.76111	2.0
60.97957	1.8
61.81665	1.9
69.03403	2.3
69.17341	2.0
69.17671	12.1
73.02895	1.8
78.03415	2.2
80.05038	2.2
85.02905	2.1
94.92995	2.1
98.97555	3.7
98.98455	39.2
106.02914	8.1
112.89578	2.1
116.98623	2.7
123.05543	100.0
149.01227	2.3
151.61145	2.1
170.95728	3.5
207.45313	2.0
219.02005	2.7
227.02338	6.0
237.15001	2.1
255.02013	5.0
255.06293	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	255.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01868	1.9
56.18668	0.3
56.96549	0.4
57.03437	3.4
57.33876	0.3
59.04979	0.3
61.02911	1.4
69.03423	1.9
71.01349	1.3
71.42411	0.4
73.02914	3.7
73.04735	0.4
74.54477	0.3
75.15968	0.3
78.03445	1.1
80.05009	3.4
84.84138	0.3
85.02896	2.3
91.03966	0.6
96.04482	1.0
96.45046	0.3
97.02873	2.1
98.97527	0.3
98.98462	4.7
101.00841	0.4
105.85296	0.3
106.02905	6.9
108.32150	0.3
115.03914	1.7
118.31947	0.3
119.01877	0.4
123.05540	100.0
124.05907	1.0
127.02351	0.3
131.01895	0.5
133.04948	2.6
138.03394	0.4
143.01918	0.4
145.03508	0.3
155.01814	0.4
157.03548	0.3
157.74573	0.3
173.02982	0.7
174.04541	0.9
177.01007	0.3
183.04977	0.5
185.02969	0.9
209.06111	0.3
219.01781	0.6
227.04152	0.3
243.05339	0.9
243.55363	0.8
245.04947	0.5
255.02217	0.5
255.06367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34068	0.4
51.56860	0.3
54.66137	0.3
55.01870	2.2
55.29805	0.3
57.03226	0.3
57.03436	3.7
61.02918	1.7
69.03426	2.1
69.98704	0.8
69.99078	0.7
70.99847	0.3
71.01341	1.3
73.02901	3.6
78.03442	1.2
80.05012	2.7
81.03408	0.4
84.98373	0.3
85.02891	2.2
96.04494	0.8
97.02879	1.6
98.98454	2.5
101.00877	0.6
103.03939	0.3
103.06123	0.3
106.02909	6.5
113.00871	0.5
115.03938	1.5
119.01922	0.7
123.05541	100.0
124.05907	1.4
133.04971	2.1
138.03374	0.4
143.01859	0.7
153.04031	0.5
155.01801	0.4
161.02983	0.5
173.02887	0.6
174.04587	0.5
183.05020	1.1
185.02879	0.7
186.02911	0.4
190.77066	0.4
222.79596	0.4
224.54616	0.5
245.05054	0.9
257.04901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05497	2.1
57.03437	15.9
57.07064	2.3
60.91657	1.4
63.89922	1.4
69.07043	2.6
69.22826	6.9
71.04984	1.8
75.04469	9.6
78.25467	1.3
79.05482	2.8
81.03443	1.5
81.07045	3.5
81.59777	2.1
83.04943	2.0
83.91245	1.5
91.05479	20.2
93.07041	6.6
95.04992	2.5
95.08599	3.0
96.38098	1.5
98.98466	83.0
100.98870	2.4
103.05465	55.3
105.03405	2.0
105.07018	3.8
109.06506	3.5
110.03632	15.6
111.04411	2.5
116.99570	1.6
117.07037	1.9
119.04932	17.9
119.08628	1.7
120.05697	2.4
121.06499	10.0
122.03650	2.6
123.04423	41.7
124.05248	7.5
128.21147	1.6
131.04918	100.0
135.04411	2.1
135.08058	3.0
137.05968	37.1
138.05751	2.4
138.06769	28.7
138.49802	1.5
139.11183	2.1
147.04404	2.7
148.05211	1.7
149.06042	2.5
151.07553	14.5
153.07089	2.1
163.07520	33.5
163.41725	1.5
166.06233	37.5
175.07570	1.6
175.09741	2.3
179.06990	4.8
181.06821	2.6
181.08557	24.3
191.10556	1.8
209.05945	2.3
227.06975	2.8
255.06355	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	255.1381
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
57.07053	1.0
60.08157	1.4
66.91427	0.6
69.52836	1.9
69.53254	1.1
81.07019	0.6
93.07052	0.7
93.27570	0.5
95.06046	0.7
95.46061	0.6
98.98456	6.7
104.59234	0.6
116.14333	0.6
116.50246	0.7
143.08617	0.8
147.57831	0.6
163.69749	0.6
165.06947	1.1
167.08530	1.3
167.41614	0.7
171.08020	2.9
178.07756	1.1
178.61107	0.6
179.08559	2.3
180.09467	0.7
181.06462	0.9
183.08148	1.2
193.10144	1.1
194.07304	0.8
194.10947	1.0
195.08028	10.6
195.11606	3.6
197.05936	1.5
197.09584	5.3
207.08049	1.7
209.09612	1.8
209.11700	2.0
211.07578	0.7
211.11147	1.8
212.08238	0.9
213.09123	10.2
213.12587	1.7
221.09616	6.5
222.10417	1.3
225.09070	3.6
227.03792	0.7
235.11121	1.1
237.12738	11.7
239.08221	0.7
239.10675	11.7
253.12125	3.6
255.13779	100.0
256.14148	2.8
256.27249	0.8
256.29980	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	255.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.3
55.05492	0.5
57.03421	0.4
57.07062	0.6
60.08156	1.6
66.98764	0.3
67.05493	1.9
69.07048	0.6
69.80229	0.4
69.80582	1.2
71.04970	0.8
76.92238	0.3
95.04948	1.7
98.98457	3.0
115.66135	0.4
135.21046	0.3
141.06924	0.6
152.06216	1.2
153.06950	0.5
155.08540	9.6
165.06975	4.5
166.07756	1.2
167.08548	8.5
168.84421	0.3
169.06462	2.8
169.07578	0.3
175.09799	0.5
178.07761	1.5
179.08545	10.6
179.22850	0.4
180.05672	2.1
180.09322	2.5
181.06465	14.2
181.10043	3.5
182.07162	0.8
183.08012	0.7
189.06955	1.5
191.08472	0.5
192.09291	0.6
193.06401	0.4
193.10115	1.9
194.07236	0.7
194.10883	5.1
195.08035	26.0
195.11705	1.5
196.08820	9.3
196.11606	0.4
197.09535	1.1
202.07861	0.4
203.08504	3.0
204.09293	4.8
205.10063	0.6
207.08031	4.4
208.08801	3.3
209.09656	4.5
209.11592	0.8
209.13271	4.0
219.11661	16.6
221.09579	6.7
222.10368	9.4
235.11137	0.6
237.12720	100.0
238.12981	3.0
255.13777	50.4
256.14114	1.7
256.29965	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	255.159
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03939	10.0
55.01864	16.4
55.05516	20.5
57.03430	4.4
57.07069	16.0
57.20294	2.4
61.43650	2.3
67.05503	41.3
69.03416	8.8
69.07067	34.2
71.01348	10.0
71.04996	7.8
71.08626	21.1
79.05490	43.6
81.03415	35.4
81.07058	50.0
83.04979	19.0
83.08628	15.9
83.11556	2.4
85.02908	23.1
87.04462	4.9
89.02377	2.7
90.03423	3.6
91.05467	22.2
93.07048	35.4
93.95612	2.6
95.04963	25.1
95.08607	21.0
97.02872	9.8
97.06522	14.6
98.98467	100.0
99.04447	2.9
99.08091	13.0
100.98904	4.5
105.03353	3.5
105.07020	15.8
107.04948	17.2
107.08578	16.9
109.06541	7.2
109.10161	21.0
111.04433	18.4
111.08061	5.2
113.02345	23.3
113.09625	8.0
117.07001	7.9
119.08589	11.5
121.06526	13.8
121.10149	7.9
123.04436	6.3
123.11697	12.0
125.05951	3.4
126.01087	27.1
127.01405	28.2
127.11167	4.5
128.00784	30.1
129.05482	4.7
131.08578	12.7
133.10123	12.4
135.08028	7.1
135.11696	7.5
137.05957	5.0
137.09592	6.6
139.07556	5.0
141.12741	3.2
143.08534	4.4
145.10120	9.9
147.11684	6.2
149.09598	4.5
149.13248	13.1
151.11168	41.9
153.05457	5.4
153.07027	4.7
155.07028	8.8
155.10648	10.2
157.10147	6.5
159.11676	14.2
167.14369	3.4
171.06552	6.0
171.11633	3.7
173.13277	10.6
175.09795	4.9
176.98985	3.7
177.12727	21.5
181.04967	5.4
181.06491	7.1
185.13260	7.0
191.14218	17.8
195.13795	35.9
199.14771	7.6
201.12772	2.9
209.05888	4.9
209.15356	3.8
219.13821	24.6
228.44559	2.7
237.09438	3.3
237.14865	35.4
255.01857	4.2
255.06512	45.4
255.09282	3.2
255.10323	4.5
255.13658	4.2
255.15941	9.0
255.21109	22.8
256.01218	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.9
55.05497	9.2
57.03422	1.9
57.07066	2.9
67.05494	17.1
68.01241	1.7
69.03421	5.4
69.07074	12.7
71.04996	19.6
79.05495	26.6
81.03417	2.7
81.07048	21.2
83.04982	4.1
83.08606	5.0
85.06535	8.2
87.04446	16.1
91.05469	14.1
93.07040	19.9
95.04951	6.5
95.08596	17.8
97.06539	11.6
98.98457	100.0
99.04427	14.1
99.08048	3.6
100.98883	3.7
105.07028	6.5
107.04932	5.0
107.08581	18.9
109.06506	4.2
109.10139	7.4
110.97626	1.9
111.04444	3.4
111.08075	6.1
113.05974	5.0
114.68285	2.1
115.03910	7.3
115.07574	2.6
116.99490	2.9
117.07038	10.6
119.08566	7.5
121.06511	10.8
121.10160	4.5
123.08052	6.1
123.11713	3.4
123.99969	1.9
125.05989	6.1
128.10695	3.3
129.06981	3.0
131.08569	12.4
135.08047	13.0
135.11670	2.5
137.05995	2.7
137.09581	3.9
139.07497	5.1
139.11165	4.0
141.06940	2.9
143.07005	2.3
145.10126	6.0
153.09006	2.1
157.10162	2.0
159.11662	4.6
163.07532	5.3
173.13254	14.2
175.09758	4.6
176.98985	4.0
177.12619	2.6
181.06497	2.7
183.11670	8.2
191.14261	4.6
195.13791	2.1
201.12706	12.1
203.77695	1.9
209.05934	4.4
219.13774	11.0
227.07011	5.5
237.14775	9.4
250.89323	4.0
254.99492	5.0
255.06404	9.5
255.15709	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	256.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98637	0.4
56.96561	15.5
63.96985	0.2
69.99149	0.5
69.99485	0.3
71.95258	1.0
80.90289	0.2
98.97572	100.0
99.97887	0.5
112.92221	0.3
116.98610	46.3
130.93266	2.1
134.99640	12.1
140.00162	0.7
148.94316	0.5
153.00679	0.9
154.93202	0.3
166.25784	0.3
167.59413	0.2
172.94333	5.5
173.21051	0.2
190.95354	3.3
197.95241	0.2
208.96381	0.8
214.95399	1.9
232.96393	5.1
250.97528	2.5
255.50243	0.3
256.96402	7.9
274.97473	50.0
275.97839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98641	0.3
56.96561	14.8
59.56407	0.2
69.74409	0.6
71.95249	0.8
83.99775	0.2
98.97573	100.0
99.97927	0.4
112.92254	0.3
116.98609	45.2
119.01867	0.2
123.05536	0.5
124.05869	0.3
130.93268	1.7
134.99641	12.5
140.00195	0.3
148.94278	0.3
153.00690	0.7
158.01286	0.2
158.78401	0.2
172.92848	0.4
172.94334	4.9
190.95370	3.5
197.95123	0.2
208.96445	0.9
214.62704	0.2
214.95361	2.0
230.98514	0.2
232.96440	5.3
241.93973	0.2
250.97444	2.2
256.96405	8.3
261.02985	0.5
274.97470	49.6
275.97748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98641	0.4
56.96563	19.4
63.21262	0.4
69.18996	2.5
71.95242	1.2
76.16257	0.4
89.57067	0.5
98.97575	100.0
116.98612	53.4
125.49373	0.4
130.93286	1.8
134.99641	15.8
136.94046	0.6
140.00163	1.0
148.07446	0.4
148.94141	0.7
153.00705	1.0
154.93304	0.6
172.94315	5.4
190.95401	4.0
208.96408	1.3
214.95378	3.0
232.96436	6.7
234.06387	0.4
250.97513	2.2
255.67931	0.4
256.96375	7.0
256.98975	0.4
261.03046	0.9
274.97476	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64199	1.0
56.96564	22.7
57.03412	1.8
60.48906	1.1
60.64251	1.1
69.03410	1.3
70.33693	2.4
71.95277	1.6
73.02882	1.4
74.04603	1.1
85.02900	1.4
94.93006	3.3
97.02840	1.6
98.97576	100.0
108.51041	1.2
109.92313	1.2
110.35701	1.1
114.89307	4.0
116.98619	74.2
119.01891	3.6
123.05550	2.9
124.05868	3.3
125.06170	1.3
130.93314	3.4
131.01886	3.1
134.99637	36.0
136.94043	10.6
148.00128	1.2
148.94020	4.0
153.00677	2.7
154.93275	1.8
155.01860	2.3
157.03387	1.2
161.02965	1.4
166.95090	2.4
172.94385	5.8
173.02940	2.4
177.00941	1.4
177.04156	1.3
190.95374	6.6
197.02921	1.8
208.96461	2.4
209.02856	1.1
214.95415	3.4
232.96411	15.9
246.92876	1.3
250.97490	4.4
251.02557	1.7
252.96375	1.3
256.96323	8.2
257.02515	1.7
257.05060	1.9
274.97488	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
56.96568	4.7
57.03431	5.8
58.05069	0.8
69.67099	2.6
74.18211	0.7
75.04465	2.5
79.05469	4.0
81.07041	1.3
85.91448	0.8
91.05472	1.8
94.04182	1.5
95.04943	1.1
98.97575	25.9
103.05455	3.1
105.07024	34.3
107.04942	3.2
109.06482	1.2
110.86018	0.7
113.07314	0.7
115.05476	1.1
116.98611	22.9
117.07005	0.8
122.03638	4.2
124.05199	1.0
133.06480	52.9
134.99644	14.0
137.05966	100.0
138.06296	1.1
140.00151	0.8
147.08064	1.0
153.00699	1.4
163.07524	3.9
165.07014	1.7
165.09100	23.0
172.94351	1.5
175.07559	2.5
177.09003	0.8
181.08549	0.8
183.10156	2.9
190.95441	1.8
203.10680	1.5
210.06105	1.1
211.07413	1.5
213.09189	0.8
221.11736	1.8
228.31375	0.8
232.96486	1.7
250.97691	0.8
256.26312	1.5
256.96497	2.6
257.09909	1.0
272.88605	0.8
274.97488	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	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
55.05496	3.2
56.96544	4.3
57.07065	1.4
65.03930	1.1
67.05495	8.5
69.07048	4.3
69.16867	6.2
71.04977	4.1
73.47153	1.2
79.05478	9.4
81.07053	7.0
83.08600	2.3
85.06512	2.7
91.05464	8.0
93.07034	19.1
95.04952	6.6
95.08595	10.9
97.06496	2.7
98.97572	19.7
99.08070	1.3
103.05492	2.2
105.06345	1.9
105.07016	26.3
107.08588	16.5
109.06523	7.1
109.10159	11.3
111.08058	4.1
116.98605	17.6
117.07001	6.4
119.08567	24.0
121.10126	91.4
122.10429	1.4
123.08034	4.0
123.11682	2.9
128.06163	3.0
129.06973	4.5
130.07780	1.6
131.08546	13.0
133.07587	2.4
133.10121	10.3
134.99646	8.8
135.08031	20.3
135.11670	3.7
137.09608	6.0
141.06947	1.5
142.07751	5.3
143.07426	1.5
143.08551	17.0
144.09360	2.7
145.10115	19.0
147.08049	1.5
147.11670	2.7
149.09573	5.0
151.11035	1.2
153.00661	1.3
154.07748	1.4
155.08543	3.5
156.09319	4.2
157.10110	21.4
158.01184	1.6
158.10912	2.3
159.08060	1.8
159.11664	13.6
161.09592	1.7
161.13269	1.5
163.11177	4.2
168.09285	2.9
169.10112	10.5
170.10860	2.3
171.11658	11.4
173.09610	2.2
173.13229	16.3
175.09758	1.7
175.11192	1.3
175.14757	1.4
176.10072	1.3
177.12770	1.8
178.73688	1.1
182.10884	1.4
183.11668	7.9
184.12431	3.9
187.07414	1.1
187.11133	5.0
187.14799	3.3
189.12779	3.4
190.95378	2.7
195.11708	1.8
196.12503	1.3
197.13176	7.3
199.14799	35.7
201.12749	7.1
209.13210	1.1
210.06195	1.3
211.05431	1.9
211.14764	2.5
213.16362	11.7
214.17110	2.4
215.14427	2.2
215.17871	5.8
239.17906	15.4
256.96439	2.6
257.18964	100.0
258.19336	3.2
274.97449	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01871	1.6
55.05495	5.1
56.96563	8.1
63.50629	1.3
67.05502	7.8
68.23029	1.4
68.94100	1.3
69.07049	3.8
69.54055	3.0
69.54413	3.5
71.04975	4.5
79.05479	11.1
81.07047	11.1
83.04948	1.7
83.08630	2.6
83.88525	1.4
85.06515	2.0
85.78297	1.4
91.05478	10.8
93.07037	20.1
95.04964	7.0
95.08604	14.2
97.06523	2.1
98.96980	2.4
98.97577	29.6
103.05435	2.8
105.07015	27.9
105.07729	1.5
107.08581	18.1
109.06511	8.3
109.10148	12.6
111.08067	3.5
115.05409	1.9
116.98615	26.0
117.07010	5.2
119.08562	25.2
119.87489	1.3
121.10134	96.6
123.08069	6.5
123.11719	2.1
128.06219	3.7
129.06982	4.4
130.07800	1.7
131.08585	14.7
133.07574	1.4
133.10107	9.8
134.99657	17.5
135.08052	23.4
135.11688	4.7
137.09601	7.4
138.45616	1.4
140.00172	1.8
141.06970	1.3
142.07753	5.1
143.08537	21.5
144.09293	1.9
145.10132	19.8
147.11678	5.5
149.09607	5.9
153.00674	1.8
155.08578	3.8
156.09346	2.5
157.10126	25.3
158.10840	2.6
159.08064	2.0
159.11670	17.9
161.09583	2.7
161.13237	3.1
163.11183	6.0
167.08533	2.6
168.09319	2.2
169.10107	9.3
170.10904	1.8
171.11673	13.1
173.09596	2.5
173.13252	19.7
175.11154	2.2
177.12749	2.3
181.10213	2.1
182.10791	1.7
183.11652	13.3
184.12427	3.1
187.11192	4.9
187.14825	4.0
189.12704	4.1
190.95372	2.4
195.11661	2.0
196.12473	2.9
197.13303	11.1
199.14796	42.3
201.12720	11.6
208.96379	1.8
210.06186	2.1
211.05670	2.6
211.14696	1.8
213.16298	8.5
215.14264	4.3
215.17870	7.1
232.96394	2.7
239.17926	17.0
256.96402	3.3
257.18976	100.0
258.19318	2.7
274.97433	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	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
55.05488	2.8
56.96550	2.4
57.03400	1.0
57.07053	1.2
67.05504	5.9
69.03414	1.8
69.07045	4.4
69.16618	3.4
69.17035	1.9
71.04980	5.5
76.97393	0.9
77.03917	1.2
79.05478	8.6
81.07047	8.2
83.04989	1.0
83.08611	3.2
84.05602	0.7
85.06532	3.3
91.05458	11.4
93.07037	16.3
95.04951	5.3
95.08595	12.0
97.06527	1.8
98.97563	14.5
103.05453	2.2
105.07024	32.2
106.07811	0.9
107.08582	15.8
109.06512	9.0
109.10149	14.9
111.08070	4.5
115.05440	1.8
116.98592	9.8
117.07005	6.1
117.15047	0.8
119.08566	25.1
121.10131	100.0
122.10460	0.9
123.08054	5.2
123.11701	2.3
128.06209	2.6
129.06972	4.7
130.07759	1.3
131.08548	13.8
133.07619	3.0
133.10117	11.8
134.99620	4.9
135.08037	19.0
135.11661	4.3
137.09595	3.8
141.06984	1.6
142.07770	6.0
143.08551	18.8
144.09294	3.1
145.10101	18.4
147.08066	1.8
147.11655	4.5
148.50922	0.8
149.09625	4.4
151.11127	2.0
153.00665	1.1
155.08498	3.9
156.09286	2.9
157.10106	23.0
158.10808	2.0
159.08070	1.5
159.11673	15.7
161.09593	1.6
161.13271	3.2
163.11150	4.9
168.09384	1.7
169.10091	10.5
170.10822	1.7
171.11679	9.6
173.09660	2.0
173.13231	20.9
174.13867	1.3
175.11214	1.7
177.12706	2.5
181.10103	1.0
182.10883	2.1
183.11697	9.7
184.12462	3.4
185.13252	2.0
187.11198	4.2
187.14822	4.3
189.12755	1.4
189.34358	0.9
190.95337	1.0
195.11661	1.3
197.13216	7.2
199.14790	38.7
201.12683	6.2
209.13231	1.0
210.06129	1.3
210.13968	1.4
211.14778	1.6
213.16389	11.5
214.17163	2.4
215.14267	1.8
215.17915	6.7
232.96431	1.1
239.17911	13.6
257.18970	99.2
258.19318	2.9
274.97458	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.02377	0.8
55.05488	2.8
56.96550	2.4
57.03400	1.0
57.07053	1.2
67.05504	5.9
69.03414	1.8
69.07045	4.4
69.16618	3.4
69.17035	1.9
71.04980	5.5
76.97393	0.9
77.03917	1.2
79.05478	8.6
81.07047	8.2
83.04989	1.0
83.08611	3.2
84.05602	0.7
85.06532	3.3
91.05458	11.4
93.07037	16.3
95.04951	5.3
95.08595	12.0
97.06527	1.8
98.97563	14.5
103.05453	2.2
105.07024	32.2
106.07811	0.9
107.08582	15.8
109.06512	9.0
109.10149	14.9
111.08070	4.5
115.05440	1.8
116.98592	9.8
117.07005	6.1
117.15047	0.8
119.08566	25.1
121.10131	100.0
122.10460	0.9
123.08054	5.2
123.11701	2.3
128.06209	2.6
129.06972	4.7
130.07759	1.3
131.08548	13.8
133.07619	3.0
133.10117	11.8
134.99620	4.9
135.08037	19.0
135.11661	4.3
137.09595	3.8
141.06984	1.6
142.07770	6.0
143.08551	18.8
144.09294	3.1
145.10101	18.4
147.08066	1.8
147.11655	4.5
148.50922	0.8
149.09625	4.4
151.11127	2.0
153.00665	1.1
155.08498	3.9
156.09286	2.9
157.10106	23.0
158.10808	2.0
159.08070	1.5
159.11673	15.7
161.09593	1.6
161.13271	3.2
163.11150	4.9
168.09384	1.7
169.10091	10.5
170.10822	1.7
171.11679	9.6
173.09660	2.0
173.13231	20.9
174.13867	1.3
175.11214	1.7
177.12706	2.5
181.10103	1.0
182.10883	2.1
183.11697	9.7
184.12462	3.4
185.13252	2.0
187.11198	4.2
187.14822	4.3
189.12755	1.4
189.34358	0.9
190.95337	1.0
195.11661	1.3
197.13216	7.2
199.14790	38.7
201.12683	6.2
209.13231	1.0
210.06129	1.3
210.13968	1.4
211.14778	1.6
213.16389	11.5
214.17163	2.4
215.14267	1.8
215.17915	6.7
232.96431	1.1
239.17911	13.6
257.18970	99.2
258.19318	2.9
274.97458	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	258.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98654	0.3
56.96285	0.5
56.96562	9.6
57.79998	0.3
58.68882	0.3
68.91156	0.2
71.95259	0.7
98.97572	100.0
99.97910	0.4
100.97167	0.3
100.97984	0.3
101.45885	0.3
116.98608	43.1
134.99646	10.7
140.00197	0.4
153.00694	0.5
174.97627	0.3
181.31441	0.3
181.97557	0.2
183.12007	0.3
216.98701	0.6
234.99677	0.6
240.98628	3.0
247.14273	0.3
249.80794	0.3
258.99734	44.1
259.99838	1.2
277.00778	47.7
278.00992	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40036	0.3
54.98615	0.4
56.43207	0.2
56.96560	9.9
70.87486	0.4
71.95237	0.6
93.78272	0.3
98.97573	100.0
99.97888	0.5
100.97211	0.4
100.97991	0.5
116.98609	41.4
119.15005	0.2
134.06659	0.2
134.99641	10.6
140.00162	0.5
153.00755	0.6
216.98680	0.7
217.01915	0.4
234.99704	0.7
240.98660	3.0
258.99728	40.6
259.99963	1.5
277.00775	46.3
278.00995	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98663	0.5
56.96560	13.6
60.38630	0.3
71.45341	0.3
71.95261	0.7
74.01460	0.3
97.02899	0.7
98.97572	100.0
101.00874	1.8
113.00856	0.8
116.98609	71.3
118.98254	0.4
118.99069	0.5
119.01906	6.2
131.01889	2.9
133.03465	0.8
134.24205	0.4
134.99641	35.7
137.02943	1.3
140.00172	0.7
143.01924	0.6
145.03458	1.2
149.02892	0.6
153.00693	3.4
158.01218	1.0
161.02940	2.4
173.02936	1.0
187.00912	0.4
189.02493	0.3
191.03992	0.3
199.00835	0.5
216.98758	1.1
217.01921	2.3
221.01878	0.4
234.99626	0.7
235.03081	1.9
240.98587	4.3
258.99731	55.9
259.99918	2.0
263.02802	1.0
277.00781	65.3
278.00974	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	258.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30210	0.3
56.96281	0.7
56.96563	11.7
71.95239	0.5
84.04518	0.4
90.02660	0.3
97.17207	0.3
98.23457	0.6
98.97577	100.0
99.97919	0.4
116.98617	57.4
117.98974	0.4
119.01904	0.6
134.99654	20.2
140.00114	0.5
153.00679	1.6
158.01334	0.4
177.00900	0.4
193.47052	0.4
210.95923	0.6
219.02040	1.3
234.99789	0.9
236.98602	1.0
240.98604	2.5
258.99753	44.3
260.00046	2.5
277.00793	52.4
278.00961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98628	0.4
56.96564	11.8
68.37488	0.3
69.67837	0.8
71.95248	0.9
73.48912	0.3
80.04074	0.4
80.46747	0.4
89.61670	0.3
90.12436	0.3
98.97575	100.0
99.97916	0.6
100.02193	0.6
100.97172	0.6
116.98615	41.9
118.98225	0.4
128.38503	0.3
134.99648	10.5
153.00699	0.9
156.62047	0.3
174.97655	0.4
179.41873	0.4
181.24873	0.4
216.98778	0.5
233.45088	0.3
240.98604	3.5
258.99747	47.0
260.00018	1.3
277.00784	52.9
278.00922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96541	4.1
69.80704	4.9
97.02884	1.4
98.97572	31.8
116.98589	11.8
134.99649	3.7
145.39790	1.3
154.25041	1.5
259.00131	11.0
259.04214	100.0
260.04727	2.2
274.03149	1.5
274.49997	1.4
276.97827	2.7
277.00833	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	259.0965
Annotation	2-Naphtylmethylsuccinic acid
Peak:m/z	Relative Intensity
50.58695	0.7
53.03924	1.1
55.01853	1.7
69.07063	0.7
69.22198	4.2
71.01337	1.9
71.03832	0.7
75.14875	0.6
75.27190	0.7
79.05476	1.5
91.05461	2.2
93.06996	1.2
95.04955	1.6
95.08615	0.9
95.71853	0.8
98.22751	1.3
100.23279	0.6
105.07011	0.8
109.02847	4.4
115.05434	4.5
117.07056	1.1
119.08578	1.0
121.06550	1.0
123.04358	0.9
128.06203	14.9
129.06990	25.8
130.07295	0.7
131.08516	1.4
133.06461	1.9
133.31720	0.7
138.73283	0.8
139.05421	1.6
141.06967	12.1
142.07808	5.0
143.04898	1.6
143.08554	23.0
145.06470	1.5
147.04376	0.9
152.06169	7.6
153.06949	2.3
154.07753	7.3
155.06004	1.4
156.05656	2.0
157.06468	9.1
157.10104	14.4
159.08032	1.2
159.11601	0.8
160.05202	4.8
161.05956	9.1
165.07014	3.5
166.07736	1.7
167.04924	6.1
167.08540	19.3
168.05704	5.7
169.06500	7.2
169.10124	9.4
170.07210	2.6
171.08031	33.9
171.11591	1.0
173.05939	3.3
177.06972	2.0
178.07581	0.8
179.08508	2.2
180.05722	0.9
181.06480	2.8
183.07994	1.1
184.05177	40.2
185.05960	25.5
185.09592	31.3
187.07509	4.0
189.05402	0.9
189.09055	7.6
195.08040	44.5
196.08635	1.0
197.05988	1.9
197.09598	14.3
198.06699	2.4
198.09706	0.8
199.07533	9.5
199.14822	0.9
201.16409	0.9
202.06233	1.0
203.10637	1.1
212.04594	1.8
213.05655	2.4
213.09079	100.0
214.09515	3.5
215.07059	4.8
215.10609	5.5
217.08575	35.5
218.08952	1.6
223.07535	3.5
226.06175	0.8
231.10161	2.3
241.08566	34.7
241.19461	0.8
242.09003	1.0
259.09625	71.0
259.20517	2.2
260.09952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
54.01582	4.5
55.05508	19.0
56.75431	4.8
57.07067	9.6
67.05503	14.7
68.99780	5.4
69.07063	67.0
71.04982	30.1
73.70344	4.2
78.71360	4.5
79.05501	8.9
81.07054	29.6
83.08616	11.4
85.06535	26.5
90.16991	4.5
91.05467	21.2
93.07069	21.6
95.04957	9.5
95.08597	36.2
97.06537	7.5
98.22715	13.2
105.07016	45.3
107.08599	36.5
107.12663	4.4
109.06511	13.6
109.10175	16.9
111.08062	13.5
117.07037	13.3
119.08572	73.6
121.10152	16.7
123.11707	23.1
129.01834	10.5
130.07762	5.1
131.08543	23.3
133.10123	66.5
133.85919	4.2
135.08038	12.2
135.11687	9.5
137.09641	8.4
142.07736	8.8
143.08568	18.6
145.10114	50.9
147.11678	30.0
156.09338	8.8
157.10123	20.7
159.11688	49.0
161.13272	54.6
170.11031	4.6
171.11676	23.2
173.13272	15.7
175.14796	100.0
176.15514	6.3
185.13295	16.4
188.36598	5.2
189.12764	6.6
190.13554	8.5
201.16359	30.7
203.14296	10.5
241.19568	17.6
259.20541	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0553
Annotation	Megistoquinone I
Peak:m/z	Relative Intensity
51.86164	0.3
52.61401	0.3
55.01865	0.4
56.93502	0.3
69.36146	1.5
79.05481	0.6
84.08140	0.4
89.03905	1.7
98.22713	0.6
103.05440	2.2
107.04941	2.8
114.09171	0.7
116.46436	0.4
116.98597	0.3
117.03391	2.0
123.04423	0.6
130.06487	0.8
131.04912	2.1
135.04405	100.0
136.04753	2.0
137.02327	3.2
145.03944	1.1
149.05975	3.8
150.03123	0.9
158.06004	1.1
162.05507	2.3
168.04391	0.4
172.03957	0.4
176.07010	1.9
186.05469	0.4
190.04980	37.9
191.05318	1.0
204.06564	2.5
214.05006	0.3
214.09235	0.4
218.04468	44.2
219.04764	0.8
232.06033	1.9
260.05524	45.0
261.05823	1.6
261.08704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
58.06583	0.4
58.75756	0.2
68.05011	0.6
69.03415	0.6
70.06568	0.9
70.59317	0.2
72.04515	1.1
72.08141	0.3
73.02911	0.3
74.06073	11.0
78.48614	0.2
80.05012	0.5
82.06562	1.4
84.08126	0.4
85.02898	1.9
86.06052	1.9
98.06043	3.1
100.07607	1.0
110.06022	0.6
116.07106	0.3
124.07593	0.3
128.07069	7.5
142.11130	0.2
144.06551	0.3
144.08003	0.3
145.03447	0.2
146.08107	100.0
147.08424	0.9
156.08022	0.3
159.70415	0.2
172.07555	0.7
184.07550	0.7
188.07050	0.3
212.07021	0.3
214.08586	0.7
230.08133	1.1
232.09727	0.6
242.13803	0.4
260.08911	1.0
260.18546	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	260.8963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57753	1.7
59.40091	1.6
65.55618	1.5
71.41783	2.2
79.00018	1.5
93.47947	1.7
94.93007	100.0
112.89616	3.0
130.69701	1.5
164.06325	1.7
166.17760	1.5
214.51886	2.2
242.88620	3.2
260.89615	16.9
261.05853	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40891	0.3
56.96562	15.1
58.96165	0.4
60.95847	4.6
68.03305	0.3
68.07433	0.3
69.22013	0.2
69.42406	0.3
70.53879	0.5
71.95250	0.7
74.97590	0.6
79.51478	0.3
82.99872	0.3
84.96030	0.5
86.97569	0.3
89.48084	0.3
98.97574	100.0
99.97898	2.6
100.97171	3.1
100.98000	2.0
101.00862	3.1
102.96859	22.5
110.97577	0.6
112.99072	0.4
116.98613	54.0
117.98956	0.9
118.98208	1.6
118.99047	1.4
119.01908	6.9
120.97894	13.6
121.01659	0.5
124.99092	0.4
128.98630	0.5
130.40565	0.3
130.93288	0.3
134.92589	0.8
134.99644	18.0
136.99203	0.6
137.02948	1.1
138.98930	4.5
140.00165	0.7
140.98790	0.6
143.00153	1.3
149.01163	0.4
149.04805	0.4
152.63687	0.3
153.00681	1.9
158.99754	2.4
161.01173	0.8
169.01109	0.3
170.50798	0.3
170.99670	0.5
172.94360	1.1
173.01221	0.9
176.93626	2.4
177.00920	14.7
178.01031	0.9
182.99854	0.7
190.95442	0.5
191.02255	1.0
194.94662	2.1
201.00848	2.2
212.95648	0.9
216.96968	0.5
217.04045	2.2
218.94820	0.8
218.98502	0.9
219.01950	20.0
220.02124	1.2
225.00859	1.9
229.03207	1.0
236.95747	2.7
237.02731	1.7
237.98749	0.8
242.98274	1.7
243.02039	10.0
243.04321	0.4
244.02246	0.7
254.96832	1.1
258.99762	0.5
260.95856	5.2
260.99649	31.8
261.03085	93.8
261.05731	9.9
262.00101	0.6
262.03177	5.7
263.03473	0.8
277.00906	0.8
278.96860	27.8
279.00650	38.5
280.00995	0.9
284.01407	0.5
284.04755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	16.7
57.97356	0.3
58.96149	0.4
59.05418	0.3
60.95845	5.0
69.91883	1.1
71.95243	1.0
75.94514	0.5
84.96002	0.7
86.65820	0.4
98.97574	100.0
99.97910	2.1
100.97164	2.3
100.97982	1.7
101.00867	2.1
102.96858	26.6
110.97574	0.9
112.99091	0.5
116.98610	59.7
117.98940	1.8
118.98183	1.5
118.99028	1.2
119.01908	5.1
120.97897	17.2
121.01641	0.3
124.99071	0.9
128.98581	1.0
130.93307	0.4
131.00128	0.7
131.03763	0.6
134.92549	1.2
134.99646	21.0
137.00102	0.6
137.02945	1.2
138.98929	5.7
140.00247	0.6
140.98602	0.5
143.00140	1.9
146.99666	0.4
147.03323	0.4
149.04832	0.4
152.98621	0.4
153.00647	2.0
156.99983	0.7
157.01752	0.4
158.99724	2.2
161.01228	1.1
168.00140	0.4
169.01093	1.1
170.99632	0.9
172.94373	0.8
173.01207	1.5
175.02863	0.4
176.93633	2.6
177.00905	9.8
178.01056	0.7
182.99719	0.6
189.00735	1.1
190.95427	1.0
191.02252	1.2
194.94638	3.2
195.01784	0.5
201.00830	2.0
208.96645	0.4
212.95709	1.0
216.96851	0.4
217.04013	2.1
218.94705	0.7
219.01945	15.1
219.09004	0.6
220.02097	1.3
225.00992	1.2
229.03207	4.2
236.95746	4.6
236.99358	0.6
237.02797	2.8
237.98817	0.7
238.03819	0.7
242.98305	1.7
243.01956	5.6
243.04739	1.2
244.02112	0.5
254.96831	1.3
258.99942	0.4
260.95816	5.4
260.99585	27.6
261.03006	62.7
261.05771	25.2
261.09125	1.2
262.03250	4.9
262.06052	0.7
277.00604	0.6
278.96783	31.2
279.00583	32.4
280.00735	0.4
284.01477	0.4
284.04572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90535	0.3
55.05504	0.3
67.05489	0.7
69.07056	0.4
69.92722	0.8
79.05480	0.8
81.07050	0.7
88.45988	0.3
90.11417	0.2
91.05486	0.5
93.07040	0.7
95.08591	0.8
98.23006	0.6
102.44288	0.3
105.07018	0.3
107.08568	0.5
121.10116	0.6
131.08557	0.4
135.11607	0.3
141.06961	0.5
145.10106	0.4
163.05501	0.4
165.06908	1.4
169.06467	0.9
178.07745	0.8
179.08537	7.2
179.10028	0.5
189.06966	20.7
190.07748	74.7
191.08089	2.1
193.19910	0.3
202.07712	3.0
203.08553	6.0
204.09314	4.1
205.10100	67.9
206.10454	1.8
214.07816	0.7
215.08546	4.9
215.10468	0.5
216.09206	0.4
218.07236	17.1
219.07738	0.7
224.98125	0.3
231.08009	0.4
232.08795	2.1
233.09576	90.8
234.09883	3.5
243.09154	0.7
243.21101	0.7
245.06038	0.3
246.06738	3.2
261.09073	100.0
261.21960	1.6
262.09436	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49688	0.2
58.82634	0.2
69.07769	1.1
69.08164	0.5
70.06568	0.2
70.78754	0.2
82.77386	0.2
92.68142	0.2
95.95210	0.2
98.22684	0.4
102.95307	0.2
141.07031	0.2
165.06960	1.1
169.06424	1.0
177.06993	0.3
178.07721	1.0
179.08553	6.3
189.05569	0.3
189.06969	21.3
190.07751	72.8
191.08092	2.5
202.07767	2.8
202.44308	0.2
203.08551	5.4
204.09314	4.8
205.10100	61.8
206.10497	1.9
214.07718	0.7
215.06451	0.3
215.08502	4.5
216.09219	0.5
218.07240	14.8
219.07646	0.7
231.08072	0.3
232.08789	2.1
233.09584	84.3
234.07797	0.3
234.09929	3.4
243.09261	1.0
245.06055	0.9
246.06744	3.4
260.25851	0.9
261.09076	100.0
262.06723	0.2
262.09412	4.1
279.80518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1848
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
51.11682	2.2
53.03917	2.6
55.05491	4.6
57.07065	3.8
67.05495	9.3
67.07011	2.5
69.07064	11.2
79.05501	9.1
81.07057	13.3
89.62134	2.6
91.05477	22.3
91.05992	3.6
93.07044	21.3
95.08600	16.7
105.07014	34.7
107.08577	17.5
109.10162	14.6
115.05420	3.0
117.07023	32.5
118.18501	3.3
119.08554	21.0
121.10126	10.1
129.06927	5.8
130.07794	10.3
131.08554	42.3
131.09448	3.4
133.10130	9.7
135.11700	5.2
143.08533	6.4
144.09297	3.5
145.10117	100.0
147.11659	4.4
157.10115	5.1
158.10880	3.3
159.11687	49.9
159.12938	3.9
161.69232	2.6
162.72519	2.7
169.09833	2.8
173.13277	10.8
175.32083	2.5
187.61890	2.5
201.16360	90.3
219.17432	28.4
220.17780	3.3
261.12976	4.2
261.18573	7.3
261.21933	3.4
261.24341	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	261.1849
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03925	3.4
55.05499	14.9
57.07062	5.6
58.64650	2.5
67.05498	44.0
69.07051	16.2
69.81252	7.1
71.04983	3.1
71.08620	2.9
72.04485	2.6
75.27791	2.3
79.05482	68.1
81.07048	55.5
83.08600	9.8
83.90665	2.2
85.06502	3.6
88.99936	2.1
91.05470	36.1
93.07036	93.0
95.04951	6.3
95.08600	46.9
97.06490	2.1
98.22688	4.3
99.08068	5.4
105.04440	3.8
105.07018	37.7
107.08588	68.7
109.06546	3.3
109.10153	15.3
111.08073	3.5
117.07006	17.1
119.08556	26.4
121.10143	45.0
123.11723	5.9
129.06978	5.1
130.07796	5.4
131.08559	41.2
133.10100	17.2
134.66458	2.1
135.11684	35.1
141.22221	2.3
143.08551	4.0
144.09320	6.6
145.10114	60.6
147.11656	13.3
149.13240	26.9
157.10080	4.8
159.11674	73.3
161.13210	12.7
163.14796	18.3
173.06883	2.3
173.13248	19.6
175.14859	4.6
177.16388	4.8
179.14247	3.6
187.14807	7.6
201.16367	51.1
201.18121	4.5
215.18021	3.3
219.17397	5.5
243.21031	30.0
249.76997	2.3
261.19058	3.2
261.22110	100.0
262.21793	6.3
278.96954	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1847
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
54.34499	2.5
55.28909	2.9
67.05482	11.8
68.32837	2.2
69.07060	9.7
79.05482	11.4
81.07058	17.1
82.52025	2.5
90.88806	2.7
91.05486	14.0
93.07039	25.1
93.60726	2.6
95.08608	19.4
98.22682	5.2
100.59441	2.5
105.07016	33.4
107.08566	16.3
109.10168	13.6
117.06999	30.5
119.08564	21.1
121.10137	12.5
123.11619	3.0
129.07008	4.0
129.57813	2.6
130.07776	9.7
131.07652	4.6
131.08554	43.6
133.10135	11.8
135.11647	3.4
137.61412	2.7
143.08517	6.4
144.09372	3.2
145.10110	91.4
147.11723	3.9
158.86327	2.8
159.11694	38.7
161.13205	3.4
162.15504	2.5
173.13268	8.4
201.16356	100.0
219.17435	25.0
261.12857	4.2
261.18463	14.2
261.22256	6.2
262.18066	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	261.1849
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
55.05516	3.9
59.83611	3.3
67.05503	8.5
69.07068	12.1
71.42631	5.3
79.05488	10.5
79.74924	3.4
80.39539	3.5
81.07041	18.7
83.04990	12.0
83.08605	3.6
91.05471	20.6
91.34590	3.3
93.07033	20.6
95.08582	22.7
104.93939	4.3
105.07022	34.7
107.08605	14.4
109.10177	8.0
117.07006	30.4
119.08585	17.0
121.10142	11.0
129.07027	4.7
130.07776	8.1
131.08568	38.9
133.10132	8.2
143.08568	4.3
144.09378	4.7
145.10107	96.0
145.80925	3.7
159.11673	37.0
173.13255	10.1
201.16385	100.0
202.16682	5.0
219.17552	11.1
261.18481	23.6
261.22137	11.5
261.37479	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	261.1848
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
54.02698	1.6
55.05495	4.2
57.07064	3.3
67.05505	7.5
67.62896	1.3
69.07053	7.3
69.22169	7.2
77.60731	1.6
79.05479	8.6
81.07050	14.7
83.08591	1.8
91.05480	11.4
93.07033	15.0
95.08587	18.1
98.22636	2.8
101.75407	1.6
105.07019	31.6
107.08582	23.1
109.10126	6.3
115.05433	2.5
117.06284	1.9
117.07019	19.0
119.08563	21.7
119.09324	2.3
121.10136	9.5
128.06277	1.5
129.06992	6.6
130.07782	10.2
131.08553	42.8
133.10110	8.7
135.11652	1.7
142.07782	1.6
143.08542	8.0
144.09337	10.9
145.10112	87.1
146.10925	2.3
147.11659	5.2
150.62103	1.6
157.10085	7.2
158.10876	1.5
159.11681	100.0
160.12061	3.6
170.56683	1.5
171.11636	2.2
172.12335	2.6
173.13239	12.6
186.14040	2.5
201.16370	98.8
202.16742	3.2
219.17540	2.5
243.21074	1.9
261.13043	2.2
261.18546	10.2
261.22018	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03930	2.1
54.35122	0.8
55.05262	1.3
55.05508	15.8
55.91486	0.8
57.03424	2.6
57.07073	3.7
65.03928	2.0
67.05501	47.9
69.07064	14.4
69.73975	2.4
70.76293	0.8
71.04984	1.8
71.08622	1.8
77.03911	1.6
79.05487	68.8
81.07052	48.5
83.04951	1.0
83.08610	7.5
85.06524	3.4
91.05475	30.3
93.07040	88.3
95.04971	6.8
95.08601	39.8
95.09213	1.8
97.06522	2.9
97.10149	2.5
99.08099	3.9
105.04502	3.0
105.07024	22.1
107.08585	55.3
108.08859	1.1
109.10155	17.2
111.08074	2.5
112.62449	0.9
113.09599	1.2
117.06445	0.6
117.07027	7.8
119.06057	1.0
119.08567	17.0
121.10143	41.2
123.08048	2.1
123.11704	4.3
131.08557	15.4
133.10123	11.6
135.07985	0.9
135.11691	37.3
137.09550	1.2
137.13252	1.5
143.08473	0.8
145.10110	14.6
147.11670	13.1
149.13246	27.8
150.13625	1.0
151.11197	0.8
153.12717	1.3
159.11702	10.2
161.13254	11.4
163.11197	1.1
163.14804	17.0
173.13260	8.5
175.14755	4.4
177.16373	3.8
179.14320	1.9
182.66716	0.7
187.14847	5.2
201.16393	3.2
207.02695	0.8
210.23320	0.8
217.19434	0.8
219.17517	1.4
233.22572	1.6
243.21062	23.9
244.21257	0.8
261.22119	100.0
262.22473	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	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03937	1.6
55.01868	1.0
55.05505	16.7
57.03426	1.9
57.07064	4.7
65.03928	1.5
67.05496	50.7
69.07062	15.1
71.04980	2.6
71.08620	1.7
72.56459	0.4
77.03900	2.6
79.05483	69.8
80.05823	0.7
81.07047	57.3
83.04964	1.7
83.08609	7.9
85.06528	3.8
85.10149	0.5
91.04865	0.9
91.05044	0.6
91.05466	35.1
93.07034	92.2
94.07358	1.0
95.04961	7.6
95.08593	41.9
96.08923	0.5
96.13215	0.4
97.06521	4.0
97.10156	2.7
99.08069	3.0
103.05474	0.6
105.04504	2.7
105.07018	26.6
106.67696	0.5
107.08580	60.7
108.08901	0.8
109.06515	3.2
109.10142	16.7
111.08091	2.8
111.11703	1.1
113.09626	1.6
115.05487	0.8
117.07008	12.1
119.06059	1.5
119.08563	22.1
121.10128	50.1
122.10466	1.0
123.08064	1.6
123.11679	5.1
125.09612	1.5
129.06992	2.5
130.07776	2.8
131.08554	24.6
133.10107	15.4
135.08092	0.8
135.11674	39.0
136.11983	0.8
137.09634	2.0
137.13228	1.1
139.11177	0.7
143.08546	1.8
144.09309	2.6
145.10106	32.6
146.10811	0.6
147.11673	12.5
149.09653	1.1
149.13237	29.3
151.11116	1.0
151.14830	0.7
153.12723	0.5
157.10091	1.8
158.10852	0.6
159.11673	30.4
160.12007	0.6
161.13235	13.9
163.11162	0.6
163.14795	17.4
165.12741	1.4
171.11717	0.8
173.13248	12.4
174.13623	0.6
175.14868	4.4
177.16359	4.8
179.14288	1.8
186.14055	0.6
187.14787	7.2
189.16310	1.1
191.14278	0.5
201.16359	21.9
205.15872	0.8
215.17914	1.9
217.19609	0.7
219.17276	0.8
233.22620	1.3
243.21045	28.7
244.21506	0.6
261.22098	100.0
262.22409	3.1
277.12762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.05503	14.1
57.03433	1.3
57.07054	3.4
65.03929	2.0
65.32117	0.7
67.05499	46.5
69.07063	12.8
70.17719	2.3
71.04977	2.5
71.08624	1.6
77.03905	1.1
79.05487	61.4
81.07051	45.7
82.80014	0.7
83.04973	1.0
83.08607	7.4
85.06535	2.4
91.05473	29.5
93.07038	80.3
95.04957	7.5
95.08598	34.9
95.09216	1.5
96.03076	1.0
97.06512	3.5
97.10152	2.8
98.22751	0.9
99.08076	2.8
105.04511	2.6
105.07024	18.1
105.07726	0.9
107.08585	49.4
109.06508	2.8
109.10131	12.7
111.08078	3.4
111.56174	0.7
113.09634	1.1
115.05404	0.8
117.06999	6.6
119.06036	1.0
119.08569	16.2
121.10139	41.1
123.08044	1.4
123.11732	4.7
131.08571	11.9
131.69656	0.8
133.10117	12.8
135.11682	35.6
137.09532	1.6
137.13220	1.7
145.10117	13.7
147.11671	11.3
149.13245	25.9
159.11693	11.1
161.13239	9.6
163.14804	16.0
165.12794	1.1
173.13261	10.0
175.14815	3.7
177.16370	3.3
179.14349	1.8
185.97151	0.8
187.14778	6.5
201.16397	2.8
203.18013	0.9
205.15771	1.2
215.17989	1.5
243.21080	20.9
244.21428	1.2
261.22122	100.0
262.22522	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03931	1.2
55.01843	0.9
55.05512	14.2
56.63139	0.9
57.03425	1.2
57.07063	4.4
65.03935	1.6
67.05499	40.6
69.07066	12.6
69.26186	1.3
69.26604	3.7
71.04971	2.3
71.08603	1.1
75.17225	0.7
77.03915	2.0
79.05488	61.6
81.07050	48.4
82.07404	1.4
83.04990	0.9
83.08607	7.4
85.06532	3.4
91.04993	0.6
91.05470	25.0
93.07036	74.2
95.04961	7.3
95.08598	31.4
97.06516	3.5
97.10152	2.4
98.23438	1.9
99.08089	3.7
103.99709	0.8
105.04507	2.6
105.06299	0.6
105.07013	18.5
107.08584	45.7
109.06513	2.0
109.10146	14.5
111.08056	3.4
113.09602	1.3
117.07010	7.8
119.06036	1.1
119.08577	16.0
121.10133	39.8
123.08051	1.5
123.11691	3.7
125.09650	1.6
131.08553	16.2
133.10123	12.6
135.11681	35.2
137.09531	1.5
137.13229	1.2
145.10103	17.2
147.11671	10.5
149.09651	1.0
149.13242	28.3
159.11664	10.1
161.13228	11.3
163.14796	16.8
165.12755	1.3
171.11627	1.3
173.13225	9.7
175.14810	3.7
177.16377	3.6
179.08516	2.2
179.14301	2.3
187.14798	6.1
189.06978	8.3
190.07767	28.5
201.16373	5.4
201.20262	1.1
202.07776	1.3
203.08542	2.6
204.09355	2.4
204.77605	0.9
205.10094	27.5
205.15793	1.5
206.10518	1.1
215.08560	2.0
215.18033	1.7
218.07225	5.0
219.17505	1.6
233.09595	33.2
234.09943	1.2
243.21066	25.2
246.06805	1.2
261.09103	38.5
261.22113	100.0
262.09341	2.0
262.22498	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	262.1073
Annotation	Antrocinnamomin B
Peak:m/z	Relative Intensity
50.36633	0.2
53.03901	0.2
55.01839	0.4
65.03900	0.6
65.70482	0.2
67.05499	1.8
69.03390	0.6
69.39257	0.4
69.39655	0.9
75.64040	0.2
77.03862	0.2
77.70341	0.2
79.05482	1.5
80.04987	0.3
81.03368	0.4
81.07008	0.6
91.05437	0.9
94.06519	0.4
95.04919	0.7
98.22748	0.4
103.05451	0.2
105.06995	0.3
106.06550	1.4
107.04944	0.4
107.07368	1.1
108.08089	0.2
109.02811	0.9
115.05450	1.0
117.06991	0.3
119.04855	0.2
122.05975	0.5
123.04427	1.7
128.06194	1.2
129.07002	1.5
130.06491	0.5
131.04889	0.4
134.05972	1.1
135.04330	0.3
135.06723	0.5
136.07550	1.6
141.06972	0.5
142.06444	0.3
143.08521	1.6
144.08022	0.2
145.06433	0.8
145.08794	0.9
145.09937	0.3
147.04379	1.1
148.07498	0.2
149.04651	0.2
149.05850	0.2
152.06169	0.6
153.05853	0.4
153.06982	4.7
154.06474	0.5
154.07585	0.5
155.06064	0.3
155.07242	1.4
155.08507	4.9
157.06422	0.5
158.05980	0.4
158.07220	0.4
159.04376	0.4
160.05171	0.4
160.11143	0.5
161.05956	2.2
163.06224	0.3
165.06947	0.5
168.05643	0.9
170.06001	0.4
170.09633	3.6
171.08043	1.3
172.07610	0.4
173.05951	1.0
173.08276	0.4
174.05376	0.3
174.09122	0.4
175.06099	0.3
175.07498	0.3
176.07077	3.2
177.07816	0.4
178.04955	0.5
180.08095	1.8
181.06471	2.0
183.06680	2.7
183.08093	1.3
184.05167	0.6
184.07529	0.5
186.06741	0.6
187.07512	0.8
188.06963	0.3
188.10690	1.2
189.07755	0.3
196.07581	0.3
197.08305	0.4
198.05481	0.3
198.09120	7.3
199.07573	2.5
200.07019	0.8
201.07709	2.6
201.09380	0.5
208.07547	0.5
211.06207	1.1
212.06953	0.4
214.03033	0.2
214.04970	2.8
214.08324	0.2
215.05693	0.5
216.10182	3.9
226.08600	3.8
227.07025	0.5
227.09018	0.3
228.06531	0.9
229.07278	2.3
233.18497	0.2
244.09660	100.0
245.10031	3.0
262.10721	57.3
263.10977	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2375
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
57.07069	7.1
58.06589	1.3
70.06588	19.9
70.71382	0.7
71.08624	4.4
88.07625	27.4
102.08521	1.0
102.09172	15.1
102.59256	0.4
110.67737	0.5
132.10229	0.6
146.11771	0.7
150.11237	0.7
156.17471	1.9
184.63591	0.5
200.20078	52.7
201.20470	1.1
223.36253	0.5
244.22693	3.3
247.95360	0.5
262.23752	100.0
263.24084	1.7
283.60373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.9776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70447	1.3
57.01203	1.5
57.03430	1.6
61.02928	5.5
63.08737	1.4
69.03442	3.9
69.57133	2.7
69.57489	5.9
73.02912	6.6
79.98348	1.6
80.28217	1.5
82.99824	3.5
85.02903	6.3
91.03948	4.6
93.68374	1.4
97.02895	5.2
98.97589	1.6
101.00879	32.1
104.99268	31.2
113.00861	4.1
119.01915	43.5
120.61485	1.3
120.96614	1.5
123.02890	3.2
127.03904	1.9
129.02882	1.5
131.01910	6.7
133.03522	2.2
137.02902	2.6
138.03439	2.3
143.01901	51.2
145.03481	3.9
149.02907	1.6
153.03949	4.1
155.01872	10.0
157.03481	5.6
161.02948	100.0
162.04529	2.0
173.02968	11.9
174.04501	4.9
175.04543	1.5
180.97865	1.6
183.05066	4.7
184.04578	2.2
185.02937	8.9
191.03995	3.7
197.02890	1.6
203.03999	23.6
221.01790	2.8
221.05070	7.7
234.06596	3.8
239.06029	3.5
240.13966	1.6
245.05070	5.8
250.97319	1.6
263.02945	13.4
263.06165	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	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36333	1.5
57.03438	2.8
57.68297	1.6
58.48269	1.4
61.02912	10.6
69.03427	5.5
70.93665	3.0
73.02920	15.6
76.39415	1.6
81.03419	2.0
82.99857	2.8
85.02902	10.8
91.03939	7.0
95.99663	1.4
97.02879	9.8
101.00879	32.6
107.89278	1.4
109.02927	1.5
111.02943	2.6
111.54983	1.6
113.00867	4.4
114.12849	1.6
119.01906	40.5
120.01988	1.8
123.02898	2.4
126.09115	2.4
127.03921	3.6
131.01900	10.3
132.03400	2.7
137.02950	5.1
138.03391	1.9
143.01883	48.4
143.02977	2.8
144.03392	2.3
145.03470	6.4
147.04018	1.8
153.03937	7.8
155.01860	13.6
157.03452	6.9
161.02948	100.0
162.03107	3.9
167.01929	1.9
173.02963	17.3
174.04445	5.2
179.03996	2.7
182.01369	1.9
183.04924	8.0
185.02948	10.8
187.04535	4.3
191.04089	3.2
192.05563	1.8
203.04021	28.4
215.04034	2.0
220.93915	1.7
221.05072	7.3
234.06561	4.5
239.06001	2.3
245.01529	1.4
245.04890	9.5
257.05014	1.9
263.01636	6.5
263.07266	44.7
263.13605	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17986	8.3
73.70565	7.9
79.03683	6.4
98.97567	15.1
101.00864	25.9
119.01918	28.9
131.01897	13.1
143.01874	41.3
146.50717	8.4
155.01872	10.0
161.02954	100.0
173.02956	27.4
191.03999	18.3
203.04037	24.4
221.05040	8.5
263.01715	27.1
263.06067	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	263.1064
Annotation	1,6-Dimethoxypyrene
Peak:m/z	Relative Intensity
59.35779	0.4
60.45261	0.4
69.22990	2.4
91.05478	0.7
93.07033	0.5
95.04974	0.5
97.49175	0.5
104.99258	13.0
105.06977	0.5
115.05447	0.5
129.06967	0.6
142.07742	1.4
165.06979	3.0
166.07750	0.7
166.68297	0.6
167.08521	1.6
176.06184	0.5
177.06966	1.9
178.07730	3.6
179.08554	4.2
189.07004	1.0
190.07716	0.8
191.08527	8.3
192.09311	40.9
193.10080	4.1
194.07263	7.2
195.08130	0.5
197.06017	0.5
202.07750	32.3
203.08417	2.5
204.09099	0.7
205.06444	3.0
205.10242	0.8
206.07172	1.1
206.10944	0.6
207.08022	4.3
207.11664	16.0
215.08490	1.8
216.09302	2.7
217.10100	22.3
218.07307	0.6
218.10577	1.4
219.08018	6.4
220.08806	23.6
221.05969	1.7
221.09464	2.8
222.06718	0.7
230.07314	0.8
233.05902	0.9
234.10323	1.4
235.11142	57.6
236.11510	2.3
245.09598	5.1
245.11739	0.7
246.10312	2.1
247.07574	0.6
248.08298	17.8
249.08633	0.8
263.10629	100.0
264.10968	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1066
Annotation	1,6-Dimethoxypyrene
Peak:m/z	Relative Intensity
52.60973	0.3
55.01857	1.3
56.40594	0.3
58.61029	0.3
65.03936	0.5
65.20960	0.3
70.12958	0.6
73.05141	0.3
76.01483	0.3
93.03403	0.3
115.05450	0.9
121.02850	1.3
123.41246	0.3
127.59791	0.3
141.06883	1.3
142.07805	0.8
152.06123	0.4
153.06982	1.0
155.08548	0.8
159.08122	0.5
165.06996	3.0
166.07809	0.6
167.08600	0.9
169.06435	5.9
169.07668	1.0
176.06223	0.4
177.06903	0.4
178.07767	7.0
179.08534	7.2
180.08928	0.3
189.07002	1.5
190.07698	2.0
191.08539	11.4
192.09322	63.1
193.06413	0.4
193.10054	8.1
194.07275	0.3
195.08073	0.7
197.05946	0.7
202.07764	23.8
203.08467	3.5
204.09274	2.2
205.06445	3.5
205.10138	1.1
206.07173	3.2
206.10777	0.6
207.08124	6.5
207.11670	24.4
208.08417	0.4
208.12016	0.8
215.08527	1.1
216.09331	1.3
217.10107	12.1
218.07303	1.4
218.10843	0.9
219.08038	6.8
219.11647	0.8
220.08809	27.7
221.06155	2.0
221.09555	8.6
222.06895	1.3
233.06029	0.4
233.09557	1.2
234.10272	0.3
235.11154	100.0
236.11465	3.8
245.09552	2.2
248.08284	4.6
263.10654	78.0
264.11020	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	263.1277
Annotation	2'-Deoxymeranzin hydrate
Peak:m/z	Relative Intensity
69.07061	2.1
70.72387	0.4
79.05485	1.8
91.05473	1.8
93.07042	0.4
95.08576	0.6
103.05468	1.0
105.07023	11.8
107.04926	0.5
115.05464	0.9
119.08538	0.8
121.06472	1.7
123.08089	0.7
129.06985	0.5
131.08553	1.2
133.06497	3.9
142.07774	0.5
143.08597	1.0
145.06496	4.6
147.08055	0.6
149.05954	0.6
151.07469	1.2
156.09340	1.0
159.08066	0.8
161.05963	17.5
162.06271	0.6
171.04308	0.5
171.11662	5.5
177.05469	2.2
179.07007	3.3
184.08829	0.6
189.05450	100.0
189.12715	1.1
190.05807	2.3
199.11121	3.1
202.07877	0.4
203.06949	0.4
205.05058	0.5
207.06494	6.5
217.12238	5.1
227.10669	1.2
245.11714	16.7
263.12805	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	263.1278
Annotation	Postia secoguaianolide
Peak:m/z	Relative Intensity
53.03934	6.2
55.01857	6.9
55.05501	6.5
56.05018	11.1
57.03427	5.7
57.07064	9.2
58.06595	5.9
60.04511	3.6
61.23565	2.3
65.03923	3.8
67.05495	9.7
68.24476	2.9
69.03417	10.5
69.07064	4.4
69.15459	14.2
70.04604	2.5
71.04981	7.5
71.08616	3.2
73.03666	2.5
74.06068	11.6
79.05483	28.5
81.03411	44.7
81.07056	17.8
83.04977	18.5
85.02893	7.4
88.07624	40.1
89.07960	8.2
91.05476	54.0
93.07040	31.6
95.04963	48.0
95.08646	4.2
97.02859	4.1
97.06523	11.6
98.78326	2.7
99.04459	7.6
103.05461	5.6
104.99266	49.3
105.04498	3.6
105.07025	40.1
107.04957	17.1
107.08589	21.0
109.02868	33.0
109.06512	25.2
109.10136	5.0
111.04443	13.3
111.08052	5.7
113.06039	3.2
115.05431	12.8
116.06232	6.3
117.07018	28.7
118.08660	7.1
119.04958	4.4
119.08566	21.5
121.06503	30.0
121.10211	4.3
122.08151	3.9
123.04441	15.5
123.08029	4.9
125.02348	5.6
128.06229	11.6
129.07019	27.1
131.04956	7.4
131.08563	73.9
133.06543	19.9
133.10130	8.6
135.04391	9.1
135.08044	38.4
137.05954	12.7
137.09601	6.0
141.06953	11.2
142.07791	13.5
143.08545	25.8
144.05646	6.5
145.06471	31.6
145.10120	8.6
147.08041	23.3
147.11687	10.1
149.05997	10.2
149.09630	13.2
153.06923	3.7
155.08537	3.3
156.09319	10.1
157.06454	3.9
157.10124	11.1
159.08037	38.9
161.05952	17.2
161.09639	13.4
161.13278	4.0
163.07558	17.8
165.06935	4.0
166.07817	6.3
167.06984	2.9
169.06490	3.3
171.08046	6.1
171.11716	19.4
173.09535	4.9
175.07550	5.7
175.11191	12.3
177.09032	6.9
179.07037	4.1
181.10081	7.7
183.08023	6.3
184.08826	6.0
185.09605	11.8
187.07588	17.3
187.11243	2.9
189.09140	6.0
189.12735	7.4
199.11162	34.1
201.09148	7.8
203.06903	4.0
203.10690	16.7
205.08588	37.3
209.09625	3.6
213.87137	2.8
214.21622	23.5
215.21980	30.3
217.12248	23.6
221.11728	5.3
227.10623	7.8
245.11736	18.6
262.23792	33.3
263.12802	74.1
263.24100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1277
Annotation	Trixol
Peak:m/z	Relative Intensity
53.06262	0.4
55.05484	0.5
59.55621	0.5
69.07063	0.8
69.23939	3.1
79.05490	3.4
81.07064	0.5
81.50180	0.5
83.40423	0.5
91.05470	1.3
93.07034	0.7
95.04955	1.3
103.05453	1.8
105.07019	10.9
106.73836	0.5
115.05404	2.3
117.07034	1.0
119.08588	1.0
128.06160	0.9
129.07010	2.8
133.06487	11.6
133.10112	0.6
141.06970	0.9
142.07817	0.8
143.08556	3.2
145.06465	7.5
147.04289	0.6
147.08061	1.0
149.05988	0.9
153.05453	0.7
155.08507	0.6
156.09309	3.1
157.06459	1.3
159.08069	1.0
161.05969	49.8
162.06299	1.0
166.07735	0.8
169.06450	1.3
170.07285	0.7
171.07999	1.6
171.11674	4.1
175.07567	1.6
175.11240	0.6
177.14680	0.6
181.10110	1.0
184.08812	4.6
189.05455	21.5
189.12752	0.9
199.11168	7.5
201.08958	0.8
203.07004	0.8
207.06491	2.8
207.10110	0.6
212.07936	0.6
214.49162	0.5
215.10748	1.5
217.12221	100.0
218.12550	2.5
227.10611	1.2
242.55315	0.5
245.11717	15.4
262.23773	1.2
263.12872	1.0
263.24002	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
52.62393	1.9
53.03945	1.9
55.01876	2.4
55.05511	2.7
57.91375	1.9
67.05495	6.4
68.98917	1.8
69.03408	5.3
69.07058	2.5
69.22926	11.7
79.05486	10.8
81.03414	2.6
81.07053	9.6
83.04969	8.5
91.05469	32.6
93.07055	17.4
95.04965	22.4
95.08591	5.1
97.06515	8.0
99.04446	2.6
104.99258	28.9
105.07012	27.3
107.04965	6.5
107.08584	7.1
108.59087	2.2
109.02876	10.9
109.06514	9.6
115.05441	8.1
116.06240	4.7
117.07016	20.6
119.04887	3.1
119.08566	15.8
121.06476	14.2
121.10139	3.3
123.04386	2.9
123.08019	1.9
128.06218	11.6
129.06985	21.2
131.04884	3.2
131.08563	35.8
132.05710	3.4
133.06464	11.4
133.10110	5.6
135.04431	3.9
135.08026	11.4
137.06027	2.3
141.06975	8.1
142.07736	10.8
143.08521	23.0
144.05736	2.1
145.06471	38.8
145.10144	9.3
147.08046	19.2
147.11705	9.6
149.09612	7.4
155.08566	4.0
156.09341	9.4
157.06508	3.0
157.10156	11.9
158.07262	8.6
159.08034	32.4
159.11685	2.4
160.08818	5.7
161.05975	14.0
161.09599	13.7
163.07559	7.4
165.06946	3.4
165.09044	1.9
169.06444	2.5
171.07983	12.7
171.11678	11.0
172.08751	5.3
173.05870	2.7
173.09584	10.2
175.07553	7.4
175.11145	18.4
177.09082	7.2
181.10109	8.4
182.19958	2.0
184.08815	3.7
185.09641	6.2
187.07539	30.8
187.11104	3.2
188.08127	3.2
189.09117	13.1
189.12708	9.1
191.10657	4.8
199.11156	18.6
201.09111	12.4
203.07001	8.2
203.09061	2.2
203.10585	13.7
205.08595	18.9
209.09746	2.5
214.38017	2.1
217.12233	29.5
219.10141	8.1
221.11650	2.5
227.10669	10.0
235.13306	2.3
244.11166	2.1
245.11714	100.0
263.12769	84.8
264.13065	3.7
276.12592	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	100.0
59.27464	0.6
60.45969	0.5
68.36316	0.5
68.92580	0.6
69.90867	0.9
71.95273	1.2
72.96033	1.4
74.97592	1.1
78.39348	0.6
83.97635	1.3
98.96908	0.8
98.97569	17.0
116.98601	7.4
120.08077	0.8
134.99637	3.8
144.96802	1.7
149.02771	1.0
161.02853	0.7
162.03043	1.2
163.00665	0.7
165.02228	2.3
167.03786	1.5
171.30930	0.6
176.03821	21.3
177.02219	0.9
178.05383	32.1
179.05719	0.7
181.01694	0.9
183.03284	4.8
186.02213	1.4
192.03323	1.3
194.04906	6.1
196.06433	21.2
201.04378	4.7
204.03256	9.7
208.02811	3.6
210.04404	1.6
218.08134	3.5
219.03282	0.7
222.04352	82.3
223.04785	1.0
226.03876	2.1
240.05400	65.6
241.05817	1.3
245.05838	0.9
264.05429	17.0
264.08499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
57.07077	1.6
60.04521	100.0
64.97660	1.0
67.05498	3.5
69.07058	6.9
70.63057	1.7
79.05472	6.9
81.07051	35.1
83.08624	1.9
91.05460	2.3
91.56879	0.9
93.07040	27.9
95.08598	14.9
97.10156	2.4
98.22734	1.5
104.99255	1.4
105.07005	2.5
107.08581	13.1
109.10140	13.7
113.63435	1.1
119.59908	1.0
121.10134	93.6
122.10509	1.9
123.11720	5.8
135.11693	8.8
149.13240	21.8
163.14928	1.4
205.19495	32.9
264.23260	2.9
265.12201	2.2
267.42783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.4
60.04520	93.3
60.34321	1.9
60.76140	1.7
66.30041	1.7
67.05492	6.2
69.07048	7.6
71.43375	2.2
79.05476	5.7
81.07050	40.0
91.05465	3.9
93.07037	32.3
95.08596	18.6
95.51484	1.8
96.41712	1.7
104.99295	4.1
105.07007	3.8
105.53461	1.6
105.99586	2.8
106.43772	1.7
107.08601	15.1
109.10175	11.5
121.10133	100.0
122.10429	1.7
123.11682	5.7
134.65431	1.8
135.11700	10.1
149.13246	29.9
205.19496	53.5
205.21307	3.4
206.19769	2.2
234.70430	1.9
262.19516	2.1
264.23184	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	265.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55692	3.4
81.03388	10.3
92.00998	2.4
100.58664	2.4
121.02849	11.5
122.07139	8.8
140.26753	2.7
213.00754	2.9
265.00320	4.4
265.06821	100.0
283.01358	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	265.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00244	1.4
71.35941	2.1
72.08183	1.8
75.04463	7.1
78.17924	1.3
80.81903	1.6
81.03447	2.0
81.04533	2.7
112.27036	1.4
121.02879	1.6
122.07157	21.7
124.75990	1.6
131.92871	1.2
134.43221	1.4
144.04788	5.7
145.02840	4.1
161.53030	1.3
177.05469	4.8
191.03134	100.0
192.03500	1.9
205.04715	17.6
265.15234	24.5
275.55972	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34782	0.5
54.80964	0.5
62.04733	0.5
66.67245	0.5
69.38813	2.9
91.95467	0.5
95.08586	0.9
109.65807	0.5
122.07082	0.8
141.06967	1.4
152.06180	1.2
153.06969	1.4
154.53740	0.5
155.04854	2.2
157.06494	1.2
165.06990	10.5
166.07787	10.3
167.08499	2.5
177.06892	0.9
179.08549	0.8
181.06479	0.6
181.10104	11.6
189.06969	7.2
190.07765	22.3
191.08546	73.0
192.08875	2.0
193.06468	0.7
194.07288	2.9
195.08044	2.1
201.06918	1.6
202.07745	0.7
204.05602	0.6
204.09319	0.9
205.06454	0.7
209.09619	6.5
218.07362	2.7
219.08038	80.3
220.08421	2.8
222.06775	7.7
223.07503	8.7
229.07617	1.8
232.05266	0.7
232.08853	0.8
236.08170	0.7
237.09087	27.3
238.09464	1.0
247.07533	86.7
248.07823	4.0
250.06184	1.0
265.08582	100.0
266.08896	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	265.0859
Annotation	R162
Peak:m/z	Relative Intensity
56.61820	0.3
57.42747	0.3
69.84696	0.7
81.07076	0.3
122.07170	1.6
131.55457	0.3
141.07001	1.4
152.06221	1.2
153.06999	1.6
154.21379	0.3
155.04945	0.7
157.06506	1.3
165.05750	0.3
165.06989	10.4
166.07780	12.3
166.09219	0.6
167.08569	2.1
169.06525	0.4
176.06151	0.6
177.06987	0.8
178.07707	0.5
179.08528	1.4
180.09288	0.4
181.06627	0.7
181.10106	11.5
181.11723	0.6
182.10474	0.5
189.06978	3.0
190.07762	9.0
191.08549	19.7
192.08925	0.6
193.06386	0.3
194.07246	2.6
195.08072	2.2
201.06967	0.4
203.08646	0.6
204.09282	1.4
205.06358	0.4
207.07950	0.5
209.09601	6.2
218.07268	1.1
219.08035	20.1
219.11591	1.1
220.08426	1.0
221.06021	0.4
222.04559	0.5
222.06738	9.7
222.08809	0.6
223.07523	10.1
224.07988	0.3
229.07658	0.4
232.08784	0.4
235.07381	0.5
236.08331	0.6
237.09088	29.7
238.09441	1.3
247.07526	9.1
247.11098	1.5
248.08031	0.3
250.06351	1.5
251.38559	0.3
264.07800	0.6
265.08578	100.0
266.08942	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	265.0858
Annotation	R162
Peak:m/z	Relative Intensity
65.03940	0.4
67.05498	1.0
69.03423	0.6
69.07054	0.6
69.66907	1.4
79.05493	0.8
80.17737	0.3
81.03410	3.3
81.04517	0.8
81.07030	0.9
84.71619	0.3
91.05476	0.9
93.07090	0.4
95.04931	0.4
95.08602	1.6
97.02856	0.4
97.94666	0.4
98.23547	0.4
99.04456	0.6
101.67271	0.3
103.92879	0.4
105.07023	0.6
107.08611	0.5
109.02866	1.2
109.06526	0.9
109.10150	1.7
109.67231	0.4
119.08539	0.5
121.02848	4.7
122.07158	4.1
125.05995	0.6
129.90605	0.4
131.08565	1.0
132.10387	0.3
134.55763	0.4
135.08025	0.8
137.05966	0.6
143.06007	0.4
144.04808	0.7
145.06459	0.8
149.06024	0.6
152.06224	0.6
153.05478	2.0
153.06985	0.3
155.04942	1.3
155.08612	0.5
159.11758	0.5
161.05997	1.2
163.07529	0.9
165.05608	0.7
165.06938	4.2
166.07593	0.4
167.08531	0.8
173.05934	0.4
177.05397	0.5
177.06902	0.5
178.07799	0.6
179.08369	0.7
181.06482	0.4
181.10107	1.1
183.11876	0.4
189.06987	6.1
190.07756	20.0
191.08533	65.8
192.08846	2.0
193.10130	0.4
194.07350	0.7
195.08006	2.5
201.06975	1.4
201.12761	0.9
202.07718	0.9
202.20525	0.4
203.08533	1.2
204.09322	4.0
205.06538	0.4
209.09648	0.6
209.13171	0.5
218.07356	2.0
219.08022	73.2
219.11617	3.6
220.08328	2.6
223.07433	0.8
223.14658	0.7
224.08348	0.5
229.07574	1.7
229.10060	0.8
229.12204	0.8
232.05249	0.4
232.08810	1.6
237.09125	2.7
247.07509	100.0
247.11212	3.0
247.13258	4.9
248.07848	4.5
264.24271	0.9
265.08539	12.2
265.12115	4.8
265.14542	2.8
265.19360	1.5
266.09109	0.4
266.12323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1223
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
61.51562	0.2
67.05470	0.3
91.05477	0.2
94.41016	0.2
106.28528	0.2
122.07150	0.2
141.06981	0.3
146.93472	0.2
152.06194	0.5
153.07014	0.7
155.08548	1.5
165.06967	1.5
166.07779	1.8
167.08574	2.1
168.09293	0.7
169.06473	0.3
177.06990	0.4
178.07748	2.6
179.08549	4.1
180.09192	0.5
181.06573	1.1
181.10092	1.5
186.33401	0.2
189.06960	6.0
190.07742	3.5
191.06779	0.4
191.08537	7.8
192.09328	1.3
193.10091	0.6
194.07178	0.5
194.10880	1.0
195.08037	5.2
195.11746	0.5
196.08832	1.9
202.07751	7.6
202.09604	0.4
203.06548	0.4
203.08539	25.2
204.09326	72.2
205.06555	1.8
205.09830	3.4
206.07249	5.4
206.10825	0.5
207.08026	1.7
207.11700	0.5
208.08760	0.8
209.06104	0.2
209.09604	1.5
209.13274	1.3
210.69189	0.2
214.07759	0.6
215.08562	1.2
217.06487	0.2
217.10126	4.9
218.07269	0.8
218.10905	1.7
219.08395	9.5
219.11664	72.7
220.08678	0.8
220.12024	2.6
221.09587	0.7
222.06732	0.3
222.10318	0.6
223.07530	3.1
223.11079	0.5
224.08305	13.7
225.08907	0.4
227.08403	1.1
228.09337	2.8
229.10104	11.6
230.10591	0.6
231.08017	5.5
232.08809	34.4
233.09232	1.6
234.41843	0.2
235.07440	1.1
235.11148	1.9
237.09067	4.9
237.12703	1.9
245.09578	0.4
246.10274	0.4
247.11159	96.4
248.11575	3.8
249.09019	0.4
250.09892	4.2
257.10809	1.1
265.12213	100.0
266.12506	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	265.1223
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
55.01871	0.4
67.05493	0.4
69.76690	1.2
70.49685	0.3
71.20533	0.3
81.07046	0.4
96.92455	0.3
98.22723	0.4
115.05421	0.5
118.74382	0.3
127.40104	0.3
127.67993	0.3
129.06958	0.4
141.06953	1.2
152.06187	0.8
153.06955	1.3
154.07663	0.5
155.08516	1.5
156.54858	0.3
165.06976	7.2
166.07777	4.6
167.08575	3.7
168.09346	0.5
169.06459	0.4
169.10091	0.6
175.55573	0.3
177.07028	0.5
178.07718	2.3
179.08539	7.8
180.09279	3.3
181.06488	2.5
181.10104	4.8
182.07175	0.7
183.08017	1.0
185.06046	0.5
189.06956	4.0
190.07767	5.3
191.08537	7.8
191.10197	0.7
192.09238	0.6
193.06497	0.7
193.10074	2.6
194.07262	1.6
194.10910	4.3
195.08034	4.1
195.11682	1.7
196.08777	0.9
202.07761	2.5
203.08553	13.3
204.09325	32.0
205.06487	1.1
205.09912	2.0
206.07254	2.2
207.08040	5.5
208.08826	6.3
209.09602	5.1
209.13248	4.9
210.10094	0.4
211.07553	2.8
215.08557	0.5
217.10147	1.8
218.07191	0.8
218.10869	0.9
219.08234	7.5
219.11664	32.1
220.08601	0.4
220.12041	1.2
221.05907	1.1
221.09544	3.6
222.06880	2.4
222.10378	8.9
223.07527	4.5
223.11079	2.8
224.08308	5.5
227.08498	0.5
228.09346	0.9
229.10094	3.9
231.08049	2.3
232.08809	14.3
233.09377	1.3
235.07504	8.7
235.11115	0.5
236.08270	11.2
237.09045	8.3
237.12711	20.0
238.09558	0.4
238.13112	0.5
247.11165	48.0
248.09090	0.3
248.11534	2.3
249.08978	1.5
250.06126	0.7
250.09865	14.3
251.10100	0.5
256.48428	0.3
257.10648	0.5
265.08600	37.8
265.12198	100.0
266.08966	1.7
266.12546	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	265.1223
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
55.05508	0.4
57.07055	1.0
64.83322	0.3
67.05473	1.0
69.03409	0.4
69.07069	0.4
69.96329	0.3
81.07026	1.0
91.05444	0.3
95.08576	0.5
96.08920	0.4
98.23497	0.7
104.99300	0.3
107.08603	0.5
121.10082	0.3
122.07166	1.7
127.88670	0.3
141.06956	0.5
144.04778	0.5
152.06203	0.9
153.07005	0.6
155.08479	1.4
165.06938	1.8
166.07729	1.5
167.08517	1.8
168.09306	1.2
177.06921	0.6
178.07753	3.9
179.08539	4.5
180.09279	1.0
181.06404	1.8
181.10118	1.6
182.88724	0.3
189.06963	6.3
190.07753	4.5
191.08546	8.1
192.09329	1.6
193.10016	1.0
194.07208	0.9
194.10849	1.2
195.08031	4.0
195.11655	0.4
196.08812	1.4
200.08253	1.1
202.07713	5.4
203.08539	23.8
204.09322	60.0
205.06429	1.5
205.09900	2.7
206.07233	5.4
206.10809	0.6
207.08034	1.9
208.08749	2.2
209.06039	0.3
209.09535	1.8
209.11694	1.7
209.13458	0.6
214.07718	0.6
215.08546	1.2
217.10117	3.5
218.07208	0.5
218.10751	1.6
219.08391	7.1
219.11661	54.5
220.08720	0.4
220.11983	2.1
221.09563	1.2
222.06772	0.8
222.10474	1.6
223.07564	3.5
223.11055	0.6
224.06078	0.6
224.08287	11.5
227.08501	0.8
228.09250	2.3
229.10109	9.1
230.10477	0.4
231.08012	5.4
232.08801	25.7
233.09387	1.6
235.07559	2.7
235.11176	0.9
236.11780	0.4
237.09085	5.8
237.12613	1.6
245.09621	0.5
246.10339	0.4
247.11154	71.7
248.11618	3.3
249.09019	0.7
250.09875	14.3
251.09995	0.5
257.10535	0.4
264.23798	0.5
265.12207	100.0
266.12567	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	265.1223
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
53.03940	0.3
55.05503	0.4
55.05820	0.3
67.05482	0.5
68.80484	0.3
69.03419	0.4
69.78770	1.0
81.03391	1.3
82.46833	0.3
95.04977	0.4
98.23476	0.5
109.02847	0.4
117.06956	0.3
121.02856	1.8
122.07111	1.1
124.89350	0.3
135.00285	0.3
151.89186	0.3
152.06197	0.6
153.06900	0.8
155.08522	1.5
165.07002	1.4
166.07738	1.8
167.08543	2.4
168.09308	0.8
169.09904	0.4
178.07785	2.8
179.08531	5.3
180.09258	0.6
181.06436	2.0
181.10092	1.5
189.06952	7.0
190.07736	4.1
191.08534	8.2
192.09311	1.6
193.10077	0.7
194.07199	0.4
194.10814	0.9
195.08028	5.4
195.11702	0.8
196.08839	2.0
202.07713	8.5
203.06572	0.6
203.08530	31.7
204.09311	80.8
205.06490	2.5
205.09778	3.4
206.07230	6.3
206.10847	0.5
207.08035	2.0
207.11610	0.4
208.08759	0.5
209.09622	1.0
209.13171	1.1
214.07759	0.8
215.08574	1.3
217.10101	4.7
218.07251	0.7
218.10860	2.3
219.08356	10.4
219.11650	72.6
220.08710	0.8
220.11978	2.6
222.06747	0.5
222.10400	0.5
223.07481	2.7
224.08290	13.6
225.08734	0.4
227.08510	1.5
228.09254	2.5
229.10075	11.8
230.10370	0.4
231.08011	7.0
232.08792	36.7
233.09384	2.1
235.07526	1.2
235.11107	1.9
237.09077	5.0
237.12729	1.3
245.09528	0.4
246.10402	0.5
247.11143	93.4
248.11552	3.5
250.09801	3.0
255.12206	0.3
257.10764	1.3
265.12192	100.0
266.12521	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	265.1221
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
69.80635	2.6
81.57941	0.6
87.56173	0.8
98.22743	0.7
106.79392	0.7
115.20287	0.7
122.07129	1.3
152.06241	1.2
155.08502	2.1
165.06984	2.0
166.07722	2.3
167.08511	2.5
168.09341	1.3
169.06471	0.9
169.80025	0.7
178.07742	3.6
179.08540	7.2
180.09196	1.1
181.06456	1.6
181.10059	2.1
189.06969	7.7
190.07756	5.3
191.08571	9.5
192.09241	1.9
193.10080	1.1
194.10905	1.1
195.08032	7.3
195.11696	1.1
196.08818	1.8
199.39076	0.7
202.07729	7.9
203.07124	0.8
203.08533	36.3
204.09323	90.6
205.06445	2.9
205.09782	4.6
206.07269	6.4
207.07967	3.5
209.09595	1.4
209.13214	1.4
214.07753	1.0
215.08565	1.4
217.06538	0.8
217.10100	4.8
218.10872	2.3
219.08386	10.8
219.11662	84.8
220.12053	2.5
223.07501	3.5
224.08290	17.6
227.06242	0.7
227.08412	1.3
228.09320	3.2
229.10112	12.0
231.08015	6.6
232.08803	44.1
233.09297	2.4
235.07520	1.6
235.11218	2.4
237.09053	5.3
237.12729	1.6
246.10199	0.7
247.11154	96.7
248.11559	4.9
250.09898	6.5
257.10687	1.5
260.72321	0.7
265.12213	100.0
266.12448	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1223
Annotation	Eupomatenoid 6
Peak:m/z	Relative Intensity
58.02914	0.8
70.02081	1.1
73.99999	0.6
83.44973	0.7
86.21005	0.7
87.53127	0.7
98.22820	1.0
98.59597	0.7
152.06116	1.7
153.07018	1.3
155.08536	1.7
165.06969	3.0
166.07777	1.6
167.08534	10.5
173.29965	0.8
177.06978	2.5
178.07709	1.7
179.08536	14.3
180.09276	2.8
181.10101	1.9
189.06960	3.4
190.07721	1.3
191.08574	1.7
193.10060	1.8
194.07236	0.6
194.10867	7.7
195.08025	17.0
196.08612	0.7
202.07764	3.2
203.08537	11.3
204.09328	25.0
205.06445	2.8
205.09888	0.9
206.07149	0.9
207.08026	1.6
208.08752	1.0
209.13216	8.3
211.30841	0.7
217.10100	1.6
219.08089	2.2
219.11662	20.2
221.05989	2.6
222.06714	3.9
222.10388	2.4
223.07516	34.9
224.08253	3.7
228.09215	1.0
229.10124	2.7
231.08020	1.8
232.08795	11.6
237.09010	1.1
237.12709	3.2
247.11150	21.8
248.11513	1.0
250.09908	3.8
265.12201	100.0
266.12634	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	265.1432
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
50.78950	0.4
53.03939	1.9
55.01863	0.8
55.05499	1.0
57.07066	1.0
61.56402	0.5
65.03917	0.8
67.05497	3.4
69.03432	2.7
69.07059	3.1
70.06588	2.0
71.04980	0.6
71.06913	1.1
71.42867	0.5
79.05492	2.9
81.03411	10.1
81.07050	2.5
83.04939	0.6
85.06542	0.6
88.07621	1.5
89.07947	1.1
91.05446	2.4
93.07039	2.5
95.04946	2.5
95.08605	2.0
97.02834	0.8
97.06504	1.1
99.04442	1.0
102.09157	1.1
104.09525	0.5
105.07024	2.7
107.08584	4.3
109.02876	4.1
109.06523	1.4
109.10184	2.7
109.10802	0.4
111.04412	1.2
115.05408	0.5
117.06971	2.2
119.06104	0.5
119.08555	1.8
121.02860	16.6
121.03815	0.8
121.06484	1.5
121.10108	0.6
122.07143	3.7
123.04425	0.6
127.03861	0.7
129.07045	0.9
130.07693	0.5
131.08546	4.0
133.10092	1.1
135.08063	5.2
137.05960	1.1
137.09592	1.5
139.03894	0.8
141.06960	0.5
143.07018	1.1
143.08543	1.0
144.04771	1.2
145.06477	6.3
145.10106	4.6
147.08034	1.5
147.11681	0.5
149.09612	1.3
151.07466	0.6
153.06976	0.8
155.08507	2.1
157.10135	1.1
158.07306	0.7
158.10875	0.5
159.08078	2.6
159.11668	1.8
161.06010	2.1
162.06766	0.6
163.03926	1.0
163.07530	42.4
164.07895	0.8
165.06976	0.9
166.07774	0.7
167.08534	1.2
168.09343	1.1
169.10114	0.7
171.07980	0.5
172.08812	2.9
173.09607	4.4
173.13205	3.5
175.07497	1.2
177.09117	0.7
178.07751	1.2
179.08551	1.4
180.09351	0.5
181.10101	1.4
183.11690	1.4
185.13283	1.1
186.10406	1.1
187.11137	0.7
189.06975	2.0
190.07776	1.5
190.09879	1.9
191.07027	13.2
191.08551	1.7
191.10641	0.7
191.14308	1.0
192.09238	1.0
193.10107	0.9
194.07257	1.0
194.10844	1.0
195.08076	1.2
195.11691	1.8
197.13214	0.8
200.20103	0.7
201.12726	14.1
201.20454	1.2
202.07784	1.9
202.20703	2.6
203.08539	7.4
203.14301	6.0
203.20775	0.6
204.09335	21.5
205.06483	1.2
205.09869	1.3
205.12160	0.6
206.07286	1.4
207.08040	0.5
209.08112	2.2
209.13237	2.2
215.08531	0.6
217.10139	1.7
217.12105	0.9
219.08374	3.2
219.11674	23.2
219.13782	100.0
220.12125	0.9
220.14117	2.9
222.06554	0.6
223.07516	0.9
223.14772	1.3
224.08263	4.1
228.09196	1.1
229.10080	3.1
229.12236	3.8
231.08031	1.6
232.08801	11.2
235.11154	1.2
237.09068	1.9
237.16327	0.5
247.11151	29.6
247.13351	7.8
247.16855	1.0
248.11632	1.6
250.09877	1.6
250.17189	0.6
262.79147	0.5
264.24380	7.2
265.06796	4.3
265.12183	24.9
265.14481	6.6
265.19885	2.9
265.24542	3.7
266.12531	1.1
272.89673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
53.03935	2.5
55.01869	1.6
55.05506	4.4
57.03426	1.4
65.03936	0.7
67.01854	1.2
67.05164	0.8
67.05502	13.5
69.03424	3.9
69.07057	3.6
70.06570	1.4
71.04995	3.3
71.42767	0.9
77.03893	0.7
77.84669	0.5
79.05485	5.4
81.03408	4.1
81.07053	10.4
83.04980	5.3
83.08595	1.0
85.02838	0.5
85.06539	1.9
88.07616	1.4
88.55671	0.5
89.07938	0.8
91.05472	6.7
93.03392	1.1
93.07031	6.3
95.04981	5.4
95.08607	7.7
97.02887	2.3
97.06518	1.0
97.10128	0.6
99.04448	8.9
105.04492	0.7
105.07024	7.2
107.04946	1.7
107.08591	7.7
109.02871	17.7
109.06499	7.1
109.10152	28.0
111.04433	5.4
111.08092	0.7
115.05448	1.2
117.07015	4.6
119.04932	1.0
119.08576	6.4
121.02847	4.2
121.06517	4.0
121.10110	2.4
122.07159	5.3
123.04449	3.1
123.08072	1.0
125.05939	0.9
127.03891	4.5
128.06247	1.2
129.07005	3.1
131.04941	0.6
131.08549	8.4
133.06471	2.7
133.10112	2.8
135.04391	3.2
135.08046	8.0
137.05981	5.8
137.09604	17.2
139.03877	1.2
141.06987	1.4
142.07750	1.6
143.08580	4.0
144.04781	1.2
144.09334	0.7
145.06470	11.4
145.10146	4.8
147.04407	2.3
147.08069	3.1
147.11691	0.9
149.05969	2.4
149.09628	2.1
151.03923	0.9
151.07475	0.8
153.05472	2.5
153.06964	1.4
154.07741	0.6
155.08540	2.9
156.09242	0.7
157.10161	2.7
158.10844	0.7
159.08078	4.5
159.11670	5.0
161.05966	33.1
161.09619	2.3
162.06721	6.5
163.07513	5.7
165.05476	6.8
167.07045	1.6
167.08488	0.7
168.09276	3.3
169.10121	1.3
171.08047	1.9
171.11636	0.7
172.08792	1.5
173.05998	2.0
173.09641	2.9
173.13249	5.8
175.07541	1.9
177.05431	4.1
177.09081	1.0
178.07738	0.6
179.08453	1.1
181.10094	1.2
182.10950	0.7
183.06480	2.1
183.11670	5.1
185.09457	0.7
186.10385	1.9
187.07521	1.7
187.11125	3.4
189.09090	2.8
190.09975	0.8
191.07022	31.7
191.14282	2.0
192.07410	0.7
193.10219	1.0
194.10878	0.9
195.06433	1.3
195.11682	1.4
196.08783	0.8
197.13237	0.9
199.11217	1.2
200.20155	0.9
201.09059	1.1
201.12724	19.4
201.20442	1.1
202.20740	2.2
203.08661	0.8
204.09268	2.3
205.08533	0.7
205.12231	1.3
209.08025	1.1
209.13235	2.3
211.11203	3.5
214.09848	1.3
217.12209	5.7
219.09906	1.0
219.11714	2.4
219.13795	9.7
223.14732	1.3
229.10104	0.7
229.12228	15.0
230.12715	0.7
232.08870	0.8
247.11145	1.9
247.13301	23.1
248.13739	0.7
264.24338	7.2
265.14343	100.0
265.19446	4.8
265.24615	2.3
266.14709	1.9
279.99838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
53.03937	4.0
55.01859	2.3
55.05507	5.2
57.03416	1.5
65.03917	2.1
67.01853	1.7
67.05499	18.4
68.99754	0.9
69.03417	3.3
69.07053	4.0
70.49924	1.4
71.04977	4.1
79.05482	9.1
81.03410	9.0
81.07052	14.2
81.08569	0.8
83.04967	7.4
83.08634	0.9
85.06527	2.1
91.05468	7.8
93.07030	7.5
95.04961	6.4
95.08588	9.3
97.02872	2.1
97.06526	1.5
99.04430	9.6
105.07032	8.5
107.04904	1.6
107.08566	9.3
109.02869	23.7
109.06506	7.9
109.10145	30.8
111.04430	5.5
115.05433	2.0
117.07013	4.2
119.04913	1.3
119.08559	8.2
120.32499	0.7
121.02863	8.7
121.06512	4.0
121.10114	2.6
122.07143	4.4
123.04394	3.6
123.08083	1.3
125.05956	1.6
127.03915	4.8
128.06184	1.4
129.07013	3.1
131.08560	10.1
133.06516	4.1
133.10124	3.3
135.04430	2.4
135.08049	9.5
137.05959	6.5
137.09590	17.8
139.03889	2.1
141.06975	1.4
142.07738	1.8
143.03471	0.8
143.08536	5.2
144.04765	1.0
144.09314	1.3
145.06479	14.0
145.10098	5.9
147.04398	2.8
147.08000	3.8
147.11710	1.0
149.05965	4.2
149.09607	4.4
149.13251	0.7
150.03310	0.8
151.03932	1.0
151.07487	1.4
153.05472	3.2
153.06975	2.3
155.03410	1.3
155.04906	1.2
155.08510	3.5
157.10135	2.7
159.08047	5.5
159.11653	4.9
161.05960	41.2
161.09554	3.8
162.06781	6.8
163.03891	1.2
163.07513	8.4
163.11140	1.1
163.14923	0.9
165.05470	8.4
165.06978	3.2
165.09004	0.9
166.07826	1.2
167.07120	1.5
167.08591	2.2
168.09334	3.7
169.06450	1.5
169.10083	1.7
171.08073	1.5
171.11726	1.2
172.08868	1.4
173.05994	2.3
173.09621	2.9
173.13252	6.0
173.74176	0.8
175.07497	1.1
175.11118	1.1
177.05504	4.0
177.09216	1.8
179.07051	1.0
180.44279	0.8
181.09969	1.0
183.06554	2.9
183.11697	6.0
185.09630	1.7
186.10355	2.1
187.07585	2.4
187.09740	0.9
187.11087	4.0
189.07033	2.4
189.09082	2.4
190.07770	9.0
191.07004	39.8
191.08563	34.2
191.14299	2.2
192.07246	1.0
192.08908	1.1
195.06505	1.8
195.08095	1.8
196.08713	0.9
199.11142	1.5
201.12711	21.9
202.13185	1.1
202.20686	1.1
203.08638	1.0
204.09305	3.7
205.12222	2.3
209.08064	1.5
211.11160	4.1
214.09782	1.8
215.10541	1.2
217.12181	7.3
218.07188	1.1
219.08032	39.6
219.11647	2.9
219.13794	9.1
222.06729	1.0
223.07559	2.2
229.07733	1.0
229.12196	19.1
237.09056	1.9
247.07530	43.5
247.11075	2.3
247.13260	25.6
248.07913	1.5
248.13692	1.2
264.24448	1.6
265.08508	7.2
265.12305	5.1
265.14352	100.0
266.14716	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	266.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84077	0.2
61.02909	0.5
69.03419	0.4
71.42219	0.2
73.02897	0.6
76.52180	0.2
82.99848	0.4
85.02874	0.6
86.03256	0.2
89.59481	0.2
97.02850	0.4
98.97865	0.2
101.00867	4.3
102.00967	0.2
103.00615	0.3
104.10752	0.9
116.98842	0.3
119.01910	12.3
120.02031	0.5
121.01642	0.6
131.01819	0.4
134.01299	0.2
134.03299	0.2
134.99864	0.7
135.02116	0.2
137.01909	0.4
137.02928	2.4
140.98817	0.7
143.01849	0.6
143.51961	0.2
144.52956	0.2
144.54030	0.2
145.01573	0.3
146.01955	0.3
148.21255	0.2
152.02473	0.3
154.53978	0.2
155.01877	0.3
155.51978	0.2
157.01680	0.3
158.99872	2.5
163.02664	0.4
164.02940	0.2
164.64320	0.2
165.99699	0.2
168.43481	0.2
173.02946	0.3
175.02861	0.6
175.54477	0.2
177.00932	25.1
178.01059	1.1
182.99860	0.7
184.04851	0.2
184.55118	0.3
185.02879	0.2
187.02640	0.2
191.17059	0.2
193.04045	0.4
194.03374	0.2
195.01947	0.3
199.02979	0.2
201.00879	2.2
201.02527	0.4
217.04065	3.7
218.04074	0.2
219.01978	27.9
220.02112	1.9
221.02382	0.2
224.04346	0.5
224.54594	0.3
225.00807	2.2
225.04393	0.3
234.00624	0.3
242.03571	0.4
243.01959	10.9
244.02116	0.7
245.05067	0.2
247.04999	0.2
248.05287	0.3
261.03030	100.0
262.03165	6.3
263.03506	0.5
266.03455	0.3
266.06104	0.2
266.15955	1.4
275.04568	0.2
284.04633	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.102
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
53.83884	0.6
55.01870	1.4
56.05027	1.3
57.03431	0.7
60.52507	0.7
66.61997	0.6
69.03419	4.3
69.13706	3.8
70.06605	0.8
77.03916	1.2
77.34808	0.6
79.05479	4.3
80.05019	0.7
81.07039	0.8
84.04501	4.6
85.02888	3.8
87.04454	2.0
91.05474	2.0
92.02631	0.8
93.03403	0.8
94.02923	1.7
95.04946	2.4
96.04533	0.9
102.05508	0.8
105.03380	2.2
105.04505	0.9
106.06576	0.9
107.04932	8.1
107.07317	1.6
109.06492	3.9
111.04485	1.2
115.05444	1.8
117.07008	1.7
118.06528	1.2
119.08556	0.7
120.02062	1.3
120.04430	0.7
121.02874	1.1
121.06487	1.3
124.07571	2.3
125.06017	0.6
131.04939	0.7
132.08105	1.2
133.02832	5.2
134.06017	1.0
135.04405	20.9
136.07581	1.3
137.05963	5.8
138.33737	0.6
139.03877	0.8
142.06454	0.8
144.08073	2.2
145.05273	0.8
145.06473	1.2
146.05940	3.1
147.07999	1.4
148.01549	1.0
149.02264	1.4
149.05867	1.0
150.05466	1.2
152.07077	4.6
159.06732	1.1
160.03929	1.8
160.07565	3.6
161.05931	1.1
162.05489	2.7
162.09134	4.8
163.03891	100.0
164.04239	2.0
164.07076	2.4
165.05441	5.6
170.05994	1.5
171.04466	0.8
172.03885	1.0
172.07581	1.6
174.05484	5.9
174.09077	1.1
175.07500	3.3
176.07062	2.5
177.05437	0.6
177.07657	0.9
178.05081	1.1
178.08615	0.8
179.07043	1.0
180.06532	2.4
182.08105	3.0
188.07074	5.6
189.07883	0.8
192.06532	6.4
192.10211	3.1
198.05466	0.9
202.08635	5.6
202.20755	0.9
203.07065	4.4
204.06544	6.0
205.07211	0.7
206.08134	3.0
216.06505	1.6
220.09683	16.4
231.06424	1.0
248.09167	40.4
249.09538	1.3
265.24582	1.7
266.10202	31.7
267.06284	0.7
267.10358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1256
Annotation	(-)-Aristeromycin
Peak:m/z	Relative Intensity
53.62682	1.4
57.07074	9.0
58.07392	3.0
67.05499	1.6
68.99774	1.8
69.03414	1.6
77.44682	1.3
81.07050	2.1
82.07381	2.1
97.06493	1.9
98.06855	1.8
100.49419	1.4
104.99298	2.3
107.96705	2.8
150.06320	1.6
166.07393	2.4
167.08365	1.5
168.08842	1.7
178.13058	4.9
179.08255	3.4
180.08873	5.7
190.07344	5.8
191.08205	5.6
192.08879	5.4
193.09737	2.6
195.11180	1.5
196.08369	4.3
203.08246	6.9
204.08968	31.5
205.09673	66.4
206.06859	1.8
206.10226	2.1
207.07533	4.4
208.08371	2.4
210.08382	4.7
210.13580	1.9
217.39021	1.6
218.10440	4.5
219.11552	5.3
220.08382	6.3
220.12001	62.7
222.09892	1.6
223.10976	1.7
224.07890	2.2
224.13553	4.4
225.08699	10.3
228.08928	1.6
229.09612	2.3
230.10446	9.6
232.08476	5.9
233.09166	30.8
234.09848	1.6
236.11424	1.5
238.09421	3.9
238.12988	2.2
248.11507	84.9
251.10266	14.2
251.48607	2.0
261.03076	3.3
266.12524	100.0
267.12949	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	267.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69902	0.2
56.96537	0.2
66.36948	0.1
67.63663	0.2
69.03407	0.2
71.42487	0.2
73.02886	0.2
82.99837	0.4
83.99908	0.2
84.04480	0.6
84.33530	0.1
89.18920	0.2
97.01313	0.2
97.02868	0.4
98.01501	0.2
98.97556	0.3
101.00865	2.8
102.00942	1.4
103.00632	0.5
115.02443	1.2
116.02525	0.9
116.98715	0.3
117.02149	0.3
117.03967	0.2
119.01909	9.8
120.01989	4.9
121.01665	1.9
123.97863	0.3
124.97583	0.3
128.01416	0.2
130.03481	0.4
130.22917	0.2
131.01860	0.4
131.03529	0.2
131.52571	0.2
133.03471	0.7
134.03514	0.5
134.99815	0.4
135.99933	0.6
136.99651	0.2
137.02931	2.0
138.02042	0.2
138.03050	1.3
139.02647	0.2
140.98788	0.3
141.98912	0.7
142.03514	1.1
142.98631	0.2
143.01918	0.2
143.03615	0.3
143.52734	0.2
144.01756	0.2
148.04558	0.4
149.04677	0.2
149.52620	0.2
154.01025	0.4
157.03439	0.5
158.99844	1.1
159.99965	3.9
160.04541	2.0
160.99573	0.8
161.04639	1.0
164.53142	0.4
166.03520	0.3
166.99776	0.2
176.03032	0.2
177.00935	14.9
178.01031	49.9
179.00681	10.1
179.33043	0.2
180.01439	0.5
182.99782	0.4
183.99904	1.3
184.04558	3.4
185.02939	0.3
185.53592	0.2
186.01746	0.3
194.04146	0.4
195.01924	0.3
196.02104	0.8
201.00931	0.8
201.02646	0.6
202.00992	4.6
202.02716	0.3
202.05542	1.8
203.00772	0.7
203.03937	0.2
213.03714	0.2
215.02551	0.5
216.02480	0.9
217.02203	0.2
217.04080	0.5
218.04153	3.1
219.01982	10.9
219.03816	3.4
220.02089	57.2
221.01753	11.2
222.02521	0.5
225.02676	1.0
226.00922	1.9
227.00645	0.4
230.04120	0.2
231.03758	0.5
233.01695	0.2
240.02740	0.2
242.03578	0.6
243.03806	6.7
244.02023	10.6
245.01756	2.0
245.55771	0.3
257.03708	0.3
258.03708	2.6
259.03461	0.6
261.02997	8.7
262.03171	100.0
263.02835	18.4
264.03625	0.5
267.03680	2.9
267.05939	0.2
268.03241	0.4
273.04938	0.2
276.04770	0.2
285.04794	33.4
286.04514	5.3
287.02771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0652
Annotation	Aristolide B
Peak:m/z	Relative Intensity
55.01866	1.6
65.46826	0.2
68.20007	0.2
69.64109	0.4
69.64500	0.3
70.33310	0.2
77.03988	0.2
96.40711	0.2
98.22816	0.2
103.05418	0.2
110.53781	0.2
115.05450	1.3
128.06209	0.5
129.06984	1.4
130.45155	0.2
131.04893	0.6
141.06987	2.8
142.16782	0.1
143.04874	0.3
145.06438	0.3
145.56248	0.2
152.06140	0.9
153.06976	4.2
154.07784	1.9
155.06007	0.3
155.08540	8.0
156.08797	0.3
157.06448	0.2
159.04453	0.9
165.06984	10.1
166.07562	0.3
167.08508	0.3
168.05693	3.1
169.06468	1.9
176.06395	0.2
177.06912	0.3
178.07733	0.6
181.06485	0.6
182.07227	0.9
183.04521	0.6
183.08038	16.0
184.08340	0.2
193.06454	3.4
193.10126	0.5
194.07330	0.3
195.04372	0.2
195.07886	0.2
196.05215	0.6
197.05945	2.0
210.06799	0.6
211.07524	22.7
212.07866	0.7
221.05963	7.9
221.09544	0.5
222.06610	0.7
223.03917	0.2
224.04642	0.8
225.05443	0.3
237.05443	0.4
238.06218	4.2
239.07010	33.7
240.07323	1.0
249.05453	0.7
249.09079	0.7
250.06226	0.4
267.06500	100.0
268.06830	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0863
Annotation	Diaportinol
Peak:m/z	Relative Intensity
50.01596	0.2
51.02374	0.7
53.03943	2.6
55.01867	0.4
57.03428	1.1
58.03653	0.2
61.02937	0.4
61.61485	0.2
66.20624	0.2
67.05532	0.2
67.10713	0.2
69.03427	6.4
69.07085	0.2
71.04996	0.3
71.42117	0.3
71.47913	0.2
72.18650	0.2
73.02895	0.3
77.03915	2.3
78.72211	0.2
79.05487	7.2
81.03413	5.7
81.07038	0.3
85.02901	9.5
85.03415	0.5
86.43465	0.3
95.04962	11.3
96.05270	0.3
97.02897	2.9
99.04450	0.6
105.03386	100.0
105.04519	5.2
106.03719	1.3
109.02875	2.6
116.98569	0.2
122.07150	0.5
123.04424	8.7
125.77961	0.2
127.03896	3.6
136.06131	0.2
165.06967	1.7
172.31752	0.2
193.06444	1.1
197.05965	0.4
211.07491	0.6
221.05974	2.0
221.11728	0.3
230.91884	0.2
239.07011	2.1
249.05434	1.1
249.07593	1.0
262.03152	0.4
267.06177	1.8
267.08749	0.8
267.13379	0.5
267.17645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78349	0.3
56.05030	2.7
60.53724	0.3
63.17349	0.3
65.03940	1.0
69.07059	0.4
71.04211	0.4
81.07049	0.4
82.69256	0.3
83.83511	0.3
84.04495	66.7
85.04852	0.6
91.05479	0.5
92.03593	0.3
92.04453	0.4
92.05001	4.6
93.07021	0.4
94.06525	0.4
102.05521	1.6
102.63197	0.4
107.08527	0.4
120.04453	100.0
121.04821	1.8
121.06508	2.6
130.04988	20.0
130.16322	0.3
138.05486	32.2
158.05992	0.7
164.17291	0.3
165.07025	1.0
185.07091	2.4
186.05472	2.9
193.06453	0.5
204.06586	0.9
221.05904	2.3
232.06001	1.7
239.06931	0.6
249.05484	0.8
249.08676	0.9
250.07013	1.4
252.28577	0.4
267.06464	2.5
267.09674	1.4
267.13446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1015
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
55.01856	0.3
55.99639	0.2
57.45226	0.2
67.05482	0.3
69.07039	0.3
71.42850	0.3
72.01340	0.2
79.05472	0.3
81.07037	0.6
91.05479	0.5
95.08632	0.3
95.24753	0.3
105.07009	0.4
117.07034	0.3
118.33168	0.3
122.07100	0.2
125.05959	0.3
128.06226	0.9
139.09726	0.3
141.06979	1.2
143.08549	0.9
152.06186	1.1
153.06921	1.0
154.07777	0.6
155.08514	0.7
157.06435	0.8
165.06975	4.5
166.07750	0.4
167.08562	1.0
168.09303	0.4
169.06433	0.6
169.10123	0.9
171.11766	0.3
177.07002	1.1
178.07764	38.0
179.08446	3.0
181.06487	0.7
183.11684	1.0
189.07124	0.4
190.07756	0.5
191.08493	1.4
192.09346	2.0
193.10115	26.4
194.10471	0.8
195.08076	0.7
196.08769	0.8
197.09610	4.4
197.13275	0.5
202.07765	8.8
203.08530	8.5
204.09181	0.7
205.06369	1.6
206.07256	8.0
207.08020	0.7
211.07593	0.6
211.11176	0.6
219.08063	0.7
220.08775	0.9
221.09595	71.3
222.09937	3.0
223.07504	0.4
224.08333	0.6
225.09050	1.4
231.07999	2.8
232.08795	0.5
234.06781	2.4
237.05376	0.4
238.06172	1.3
238.09811	0.4
239.06915	0.5
239.10645	2.9
248.08344	0.9
249.09087	57.3
250.09402	2.1
252.07809	5.7
252.11591	0.4
267.10144	100.0
268.10471	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	267.1015
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
52.91771	0.2
55.01863	0.4
56.56625	0.2
67.05484	0.3
81.07047	0.4
82.13263	0.2
98.98482	0.2
102.66245	0.2
115.05462	0.4
123.11681	0.2
128.06197	0.7
141.06970	0.8
143.08531	0.9
152.06213	0.9
153.06973	0.9
154.07771	0.5
155.08524	0.5
157.06480	0.7
160.33971	0.2
165.06969	3.8
165.08365	0.2
167.08536	1.0
168.09302	0.3
169.10072	0.6
176.06146	0.5
177.06955	0.8
178.07759	31.6
179.08470	2.2
181.05083	0.2
181.06520	0.5
183.11678	0.8
189.07088	0.3
190.07767	0.5
191.08585	1.0
192.09288	1.4
193.10115	25.2
194.10461	0.6
195.07965	0.4
196.08820	0.6
197.09590	3.7
202.07742	7.5
203.08537	6.9
204.09172	0.4
205.06418	1.5
206.07251	6.9
207.07896	0.9
211.07533	0.4
211.11128	0.7
219.08038	0.9
220.08789	1.1
221.09593	77.1
222.09927	2.8
224.08289	0.5
225.09006	0.7
231.08003	3.1
232.08752	0.6
234.06769	2.5
235.07230	0.2
237.05499	0.3
238.06152	1.0
239.06961	0.3
239.10626	2.4
248.08295	0.8
249.09084	59.1
250.09477	2.3
251.07100	0.3
252.07794	6.7
267.10138	100.0
268.10483	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	267.1014
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
55.01848	0.5
67.05499	0.6
69.23306	2.1
69.23708	0.9
76.77840	0.4
98.98510	0.6
99.61836	0.6
104.99264	0.6
107.07158	0.4
115.05473	0.7
128.06195	1.1
130.86043	0.4
141.06960	0.7
143.08533	1.3
152.06215	1.2
153.07004	1.1
155.08551	1.0
157.06429	1.0
157.81163	0.5
157.83385	0.5
165.06952	5.4
166.07721	0.6
167.08549	1.2
168.09062	0.6
169.10091	1.2
177.06975	1.0
178.07759	43.6
179.08501	4.2
181.06493	0.9
183.11694	1.2
189.06989	0.7
191.08531	1.5
192.09344	2.3
193.10114	29.1
194.10493	0.9
195.08177	0.5
196.08752	1.6
197.09598	6.6
202.07753	10.8
203.08513	10.9
204.09177	0.9
205.06441	1.9
206.07254	8.1
206.09296	0.7
206.10068	0.9
207.07994	1.1
211.07460	1.0
211.11134	0.9
219.08080	1.1
220.08774	1.6
221.09596	92.9
222.09932	3.6
224.08177	0.7
231.07935	4.1
232.08585	0.8
234.06769	3.8
238.06235	1.3
238.09895	1.1
239.06953	0.7
239.10719	3.2
248.08138	0.9
249.09090	83.8
250.09375	2.6
252.07803	7.1
252.10532	0.8
267.10138	100.0
267.13315	4.0
268.10419	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	267.1339
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
53.51510	0.2
54.56419	0.2
56.05025	1.2
60.88905	0.2
70.66994	0.4
77.03938	0.7
77.36878	0.3
84.04503	23.5
85.02904	0.9
91.05487	2.5
93.07042	5.7
95.04967	0.9
98.72536	0.3
102.05485	0.6
103.05450	3.2
105.04519	0.5
121.06500	100.0
122.06826	2.5
130.04997	13.8
138.09134	17.1
194.97386	1.2
195.02266	0.3
204.10188	0.4
212.98453	0.9
221.12856	4.5
224.98470	0.6
226.55576	0.3
250.10747	14.5
251.11108	0.5
254.99379	0.4
267.10663	0.4
267.13354	8.2
268.13770	0.4
281.34555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1378
Annotation	6-Hydroxymethyl-1-methyl-5-vinyl-9,10-dihydrophenanthrene-2-ol
Peak:m/z	Relative Intensity
69.89670	1.1
69.90036	1.2
70.72590	0.5
71.52221	0.5
98.23418	0.7
165.06976	0.7
178.05304	0.6
178.07732	8.1
179.08534	60.6
180.08942	1.7
189.07014	0.7
190.07793	1.8
191.08479	6.2
192.09251	1.4
193.10089	3.2
195.08009	0.8
205.10129	1.0
206.10878	11.3
207.08025	100.0
208.08742	11.4
209.09483	1.2
215.08531	4.6
216.09322	21.9
219.07997	6.1
220.08839	0.7
221.09651	10.1
221.13200	7.0
224.08293	5.2
225.09076	23.2
231.11639	18.1
233.09483	1.2
233.94510	0.6
234.10356	9.5
234.68372	0.6
249.12714	73.1
250.13014	2.5
267.13766	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	267.1379
Annotation	Magnolol
Peak:m/z	Relative Intensity
51.93161	0.2
54.41545	0.2
55.01855	0.7
69.30181	1.0
75.94763	0.2
78.41091	0.2
84.77979	0.2
104.99249	0.2
109.13935	0.2
115.75388	0.2
126.01134	0.2
126.89252	0.2
129.06961	0.3
142.07686	0.2
146.69781	0.2
152.06198	0.4
153.07025	0.3
155.08516	0.5
165.06963	0.8
166.07773	0.2
167.08414	0.3
168.09184	0.4
169.10112	0.2
176.06172	0.3
177.06969	0.5
177.26297	0.2
178.07755	10.5
179.08533	68.6
180.08943	2.0
181.06453	0.8
181.10103	0.6
188.17062	0.2
189.06895	1.5
190.07716	2.8
191.08524	6.8
191.98848	0.2
192.05687	0.6
192.09314	1.8
192.92606	0.2
193.10117	3.5
194.07243	0.7
194.10681	0.2
195.08072	1.3
196.08797	1.0
197.09465	0.2
202.07791	0.6
203.08559	0.5
204.09288	0.3
205.06419	0.6
205.10051	0.9
206.07227	1.0
206.10886	12.7
207.08028	100.0
208.08752	14.1
209.05989	0.3
209.09534	2.6
211.07535	0.5
211.14825	0.2
215.08546	4.6
216.09320	23.7
217.09683	1.3
219.06407	0.1
219.07996	6.5
220.08699	0.6
221.09621	11.1
221.13165	6.9
221.14926	0.2
222.09924	0.6
222.13609	0.4
223.07655	0.3
224.08302	4.3
224.11797	0.3
225.09077	20.9
226.09421	1.0
229.10201	0.3
230.10873	0.3
231.11661	15.4
232.08900	0.4
232.12019	0.8
233.09647	1.1
234.10359	10.9
235.10883	0.4
239.14246	0.3
249.12714	68.3
250.13037	3.0
252.11490	0.3
267.13770	9.2
268.14096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1377
Annotation	Juncutol
Peak:m/z	Relative Intensity
50.81500	0.2
55.01869	0.3
67.05489	0.4
69.07054	0.3
79.05468	0.3
83.04974	0.3
87.80303	0.3
91.05481	0.2
96.48023	0.2
111.04433	0.5
112.94577	0.3
115.05442	0.3
128.06215	0.3
129.06985	0.5
141.06953	0.6
142.07764	0.5
152.06163	0.3
153.06938	0.5
154.07803	0.3
155.08539	0.9
157.10126	0.5
165.06955	2.1
166.07750	0.5
167.08542	2.2
168.09288	0.3
169.06456	1.1
169.10083	1.3
178.07741	3.0
179.08537	4.2
180.09306	1.1
181.06441	0.5
181.10085	2.2
182.07224	0.8
182.10808	0.3
183.08044	0.8
183.11717	0.4
189.07016	0.3
190.07724	0.4
191.08546	4.3
192.09299	3.6
193.10114	4.9
194.07266	0.6
194.10858	0.8
195.08037	2.5
195.11665	0.5
195.68513	0.2
196.05208	0.7
196.08672	0.4
196.12465	0.5
197.05945	1.0
197.09598	3.6
197.13297	0.5
198.06664	0.5
200.08220	0.3
202.07890	0.4
203.08543	0.7
205.06490	0.8
205.10123	1.0
206.07304	0.6
206.10901	5.8
207.08069	1.4
207.11496	1.2
208.08809	3.9
208.12328	0.5
209.09563	2.9
209.13217	0.8
210.06779	1.7
210.10359	2.0
211.07507	1.8
211.11137	0.5
211.14809	0.8
213.09146	1.2
215.08611	1.5
216.09341	2.6
219.08023	4.3
219.11592	0.4
220.08788	2.7
221.09665	5.7
221.13190	7.6
222.13702	0.3
223.07527	2.4
223.11086	0.6
224.08304	1.2
224.11951	0.5
225.09119	3.7
225.12695	0.5
226.09857	1.5
231.11664	1.3
233.09569	1.4
234.10342	4.8
235.11092	1.1
236.11964	1.2
237.09091	3.7
237.12608	1.1
238.09853	16.7
239.10597	4.3
239.14304	0.9
249.09041	1.2
249.12704	8.1
250.09657	0.2
250.13402	1.1
251.10561	0.5
252.11424	14.1
253.11777	0.7
267.10272	7.0
267.13754	100.0
268.10892	0.4
268.14111	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	267.1378
Annotation	6-Hydroxymethyl-1-methyl-5-vinyl-9,10-dihydrophenanthrene-2-ol
Peak:m/z	Relative Intensity
52.80657	0.4
55.05497	0.5
61.61903	0.5
69.07053	0.9
69.45212	1.7
71.30883	0.5
73.19472	0.5
81.07045	0.7
87.97112	0.5
98.98489	0.8
100.60895	0.5
141.06976	3.0
155.08539	1.1
156.05753	0.5
165.06963	1.4
169.06476	1.6
177.07024	0.5
178.07776	12.2
179.08546	70.8
180.09009	1.6
181.06470	1.0
183.08038	1.5
185.09453	0.9
189.07031	1.2
190.07761	3.0
191.08569	7.6
192.05701	0.8
192.09323	1.7
193.10219	4.1
194.07333	0.9
195.08125	1.3
196.08821	1.2
197.05940	8.7
197.09566	0.8
202.07822	1.4
203.08499	1.2
205.09993	0.8
206.07196	1.6
206.10909	13.1
207.08041	100.0
208.08769	14.1
209.09619	3.3
211.07651	0.8
215.08463	3.8
216.09335	26.4
217.09818	1.3
219.08035	6.7
221.09613	12.8
221.13142	5.6
222.63271	0.5
224.08325	3.9
224.11855	1.2
225.05528	1.2
225.09088	18.3
225.12538	1.0
231.11674	17.3
231.69992	0.6
233.09622	1.7
234.10376	8.9
237.09142	1.1
239.07056	0.7
239.14343	1.3
249.12733	64.4
250.13138	1.9
267.06531	2.3
267.10141	2.2
267.13797	23.5
268.07339	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Grangolide
Peak:m/z	Relative Intensity
55.01863	3.8
55.05508	10.4
57.03423	4.7
57.07073	2.8
67.05498	15.6
69.03417	4.8
69.07064	11.7
69.25422	4.3
69.25829	5.4
71.04986	4.2
79.05483	22.8
81.03417	4.6
81.07057	30.3
83.04975	43.3
83.08602	4.0
85.06525	10.6
87.37199	2.1
91.05470	24.5
93.07039	38.6
95.04957	25.8
95.08603	22.3
97.06520	18.0
98.22657	3.8
99.04454	3.2
99.08078	2.0
99.99818	1.8
101.06011	2.8
105.07019	35.3
107.04941	4.1
107.08578	27.0
109.06511	15.5
109.10155	5.2
111.04436	4.5
111.08059	5.4
113.06001	4.0
117.07017	4.6
119.08573	16.5
121.06473	9.3
121.10133	22.3
123.08041	7.1
125.06005	6.9
125.09600	6.1
127.07542	6.1
128.06194	8.0
129.06972	5.6
131.08574	13.7
133.06494	2.7
133.10106	8.9
135.08037	9.4
136.64655	2.2
137.09627	5.1
139.07513	4.0
139.11159	7.0
142.07742	3.5
142.82059	2.0
143.08572	20.5
145.06488	4.6
145.10121	20.7
147.08047	5.8
147.11678	8.4
149.09642	7.7
151.07504	4.0
153.09079	3.8
155.08487	2.6
156.09355	4.5
157.10106	11.8
159.08051	4.4
159.11638	9.5
161.09587	8.2
161.13258	6.1
163.11208	3.8
165.09058	2.7
167.10687	9.9
170.10979	2.4
171.08034	6.2
171.11653	11.9
173.09627	8.7
174.92090	2.2
175.11195	6.1
175.14784	4.0
185.13248	13.9
187.11189	4.5
189.09079	4.0
189.12706	7.2
191.10641	5.4
195.11676	3.0
201.12740	2.3
203.14302	18.0
205.12271	2.3
213.12682	13.6
221.15411	5.4
231.13780	29.0
236.00482	1.9
249.14793	24.3
267.15884	100.0
268.16119	2.9
282.02017	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Connatusin B
Peak:m/z	Relative Intensity
55.05502	5.3
57.03429	4.9
58.96149	3.5
67.05502	14.8
69.07059	5.4
70.54266	6.5
71.04980	8.7
79.05487	13.1
81.03426	9.0
81.07054	32.5
83.04989	8.5
85.06528	24.0
87.04489	4.8
88.30395	4.3
91.05473	46.8
93.07031	23.3
95.04959	24.1
95.08608	7.8
97.06512	18.8
105.07019	87.4
107.04939	5.4
107.08576	14.2
109.06526	13.5
117.06986	24.8
119.08564	30.5
121.06521	9.2
121.10072	6.6
123.08070	4.7
128.06206	16.5
129.07019	24.5
130.07771	11.0
131.08540	43.3
133.06519	10.8
133.10132	27.5
135.08035	9.9
141.07065	4.0
142.07787	12.6
143.08540	54.3
145.06438	13.9
145.10107	100.0
147.08047	18.8
147.11685	7.2
149.09628	11.6
153.07019	4.1
155.08507	18.9
156.09351	4.7
157.10150	19.8
159.07999	7.9
159.11749	11.6
161.09612	35.4
161.13255	8.0
163.11180	12.5
169.10098	9.3
170.11003	4.6
171.08008	4.2
171.11630	15.0
173.09595	66.9
173.13324	7.0
175.11266	4.5
175.14775	5.1
180.09283	6.1
183.11710	4.7
185.13289	19.1
187.11160	7.8
189.12714	15.7
191.10611	21.4
195.11662	10.0
201.12708	14.4
203.14284	17.0
205.12328	6.0
207.13728	5.4
209.11728	5.4
213.12669	31.0
219.13789	10.3
231.13786	58.4
232.14127	4.7
249.14854	55.3
266.44016	3.4
267.15845	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.12444	0.1
55.01864	0.3
56.96547	0.2
57.03428	0.6
65.83084	0.1
66.29170	0.1
69.03424	0.3
69.89014	0.4
69.89335	0.2
73.02908	0.3
85.02900	0.5
94.04055	0.4
95.53255	0.2
98.97577	0.8
101.00865	0.2
116.98609	0.7
119.01911	0.4
119.03544	1.0
121.01669	0.4
133.04965	0.2
134.99661	0.2
136.06177	100.0
137.04584	0.4
137.06519	0.6
160.99608	0.2
179.00673	1.4
219.03937	0.2
221.01773	1.8
222.12988	0.1
227.00949	0.3
244.98119	0.2
245.01836	0.6
263.02850	7.6
264.02948	0.4
268.10394	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	268.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49981	0.4
51.55173	0.4
53.03757	0.4
70.10038	0.7
70.30970	0.5
74.21918	0.4
85.52327	0.5
98.22817	0.7
101.16915	0.4
131.40575	0.4
136.06139	0.6
165.06944	2.2
178.07822	0.7
179.08521	7.0
181.06474	0.5
182.07094	0.4
183.08095	0.5
191.08482	1.0
192.09306	8.1
193.06496	2.8
193.10054	1.7
194.07227	0.5
195.07887	0.6
196.08737	0.5
197.09625	2.5
197.13281	0.7
202.07832	2.6
202.09406	0.5
205.06464	1.5
206.07214	1.2
207.08078	4.7
207.11667	12.5
208.08542	1.0
209.09428	0.5
210.06699	0.6
210.10281	0.6
211.07486	1.6
217.10110	2.3
219.07870	0.7
220.08818	8.8
221.09317	0.6
224.08302	1.6
225.09064	13.5
225.12712	1.9
226.09808	2.7
235.11140	18.0
238.09825	2.4
239.10638	5.6
249.12869	0.5
250.13409	1.5
253.12192	51.2
254.12640	3.0
267.13876	0.5
268.14532	100.0
269.15198	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	268.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54066	1.3
97.54575	1.3
109.24522	1.4
112.89603	56.6
136.94023	6.7
162.95563	4.7
250.97197	1.5
268.98224	100.0
277.67230	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0805
Annotation	5-Hydroxy-7-methoxyisoflavone
Peak:m/z	Relative Intensity
70.68928	0.3
70.69278	0.2
109.85838	0.2
131.06036	0.3
151.05539	0.3
152.06160	0.9
165.06999	0.3
165.37645	0.3
166.07828	0.2
167.08513	0.8
169.06497	0.4
176.06171	4.1
177.06953	4.8
195.08083	1.1
197.05916	0.3
199.21931	0.3
205.06465	20.0
206.06900	0.7
221.05544	0.3
223.07516	100.0
224.07831	3.6
233.05954	17.6
234.06595	1.1
237.05292	0.3
250.06244	0.7
251.07007	82.1
252.07352	2.8
269.04926	0.4
269.08057	9.6
269.11026	0.5
292.09494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0806
Annotation	5-Hydroxy-7-methoxyisoflavone
Peak:m/z	Relative Intensity
67.05491	0.5
71.42869	0.6
81.07027	0.9
95.05028	0.5
105.07012	0.4
107.08552	0.4
109.10100	0.5
119.08578	0.5
123.04527	0.4
125.09597	0.7
139.05426	0.6
150.22530	0.3
152.06177	1.1
165.06947	0.7
166.07712	0.5
167.08588	0.6
169.06451	0.5
176.06168	3.7
177.06984	4.5
195.08012	1.4
205.06471	20.2
206.06836	0.8
223.07520	100.0
224.07848	3.5
233.05968	17.4
234.06525	1.3
250.06250	0.5
251.07011	82.7
252.07407	3.3
259.05988	0.6
269.04431	2.7
269.08014	9.4
269.11514	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52857	3.1
55.01876	6.7
55.05499	5.4
62.46106	3.1
67.05494	14.0
69.07063	15.9
71.04978	5.2
74.14137	3.8
79.05487	25.3
81.07057	26.4
83.04983	14.6
85.06559	3.8
91.05486	14.6
93.07029	37.3
95.04968	16.2
95.08606	13.4
97.02881	6.2
97.06544	18.8
99.04446	7.4
105.07012	35.1
107.04961	12.9
107.08581	18.9
109.06515	15.3
109.10199	5.5
111.08044	4.9
117.07025	8.0
119.04912	7.4
119.08604	11.6
121.05712	3.5
121.06449	20.5
121.10106	4.8
125.06006	21.3
131.08563	11.4
133.06445	5.3
135.08026	7.1
135.11664	7.8
137.06006	7.3
139.07523	8.7
143.07053	5.4
143.08569	7.0
145.06474	7.7
145.10141	38.4
147.11687	6.9
155.08504	5.7
158.07329	6.6
159.11716	19.5
163.11165	55.4
164.11322	3.7
169.10063	7.7
172.08727	4.6
173.09589	24.2
176.06223	5.1
181.06473	4.3
181.12239	8.7
187.11163	23.6
191.10674	11.5
197.09689	7.1
205.06473	25.9
205.12262	7.4
209.11636	5.8
215.10680	34.7
223.07544	100.0
233.05960	15.4
233.11697	11.2
251.07008	71.5
251.12677	5.3
252.07359	4.3
269.08109	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	269.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72252	4.7
51.18057	4.2
55.05503	8.0
57.36808	3.6
66.25168	3.8
67.05495	15.3
69.03429	3.6
69.07054	10.2
70.53060	8.2
71.04986	5.8
79.05492	19.8
81.07048	26.8
83.04979	12.7
85.06535	15.6
91.05479	14.6
92.26484	3.7
93.07037	21.7
95.04964	11.1
95.08601	15.0
97.06532	12.5
99.04472	4.3
105.07039	19.8
107.04939	10.8
107.08581	16.5
109.06504	13.1
109.10167	7.2
119.08573	9.8
121.06503	14.8
121.10133	7.1
125.05988	15.0
127.07545	9.8
127.83338	4.1
131.08559	6.9
133.06415	5.1
133.10095	8.4
135.11679	4.9
137.05957	4.2
143.06995	7.1
145.10141	39.7
147.11693	4.3
155.07132	4.3
159.11661	10.6
163.11160	100.0
163.12445	7.4
173.09561	24.8
187.11140	20.9
191.10663	15.7
205.06650	6.4
205.12148	5.4
215.10715	15.4
223.07463	29.3
233.05798	9.1
233.11681	9.0
237.08647	5.1
251.06949	27.4
251.12743	5.2
269.08167	14.7
278.54688	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	269.1537
Annotation	Diethylstilbestrol
Peak:m/z	Relative Intensity
67.05492	1.2
69.27782	3.6
69.28188	2.4
73.90598	1.0
81.07046	1.7
91.05436	1.1
95.08590	2.6
104.99258	8.4
105.07031	1.2
107.08547	2.0
109.10172	1.0
119.08554	2.3
121.10146	1.4
143.08519	1.1
149.82442	1.3
159.11674	1.2
171.11510	1.1
173.13310	1.3
185.13168	1.2
186.99548	1.5
193.10002	1.9
199.14845	1.1
200.81979	0.9
208.12405	2.3
209.18729	1.1
213.16507	1.1
219.96214	1.0
221.09042	0.9
223.07364	1.4
225.08995	1.5
236.11627	2.1
237.12723	3.0
239.10658	22.2
253.12250	2.4
254.12959	20.0
269.15298	100.0
269.22681	3.4
270.15640	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	269.1536
Annotation	17alpha-Dihydroequilenin
Peak:m/z	Relative Intensity
50.77010	0.4
55.05488	0.7
56.90805	0.4
64.58596	0.4
69.07083	0.4
69.11073	2.7
79.05486	0.5
81.07070	0.7
91.05483	0.7
93.06999	0.4
104.99265	2.4
105.06993	0.9
107.08607	0.8
109.10184	0.4
123.66913	0.5
132.85852	0.5
141.06999	0.5
143.08492	0.5
145.10103	1.5
152.06181	0.9
153.06975	1.5
155.08559	0.8
165.06984	5.8
166.07779	7.1
167.08517	1.7
169.06436	0.6
171.07976	0.7
171.11726	0.9
178.07811	1.0
179.08562	3.4
180.09297	3.4
181.06465	1.7
181.10110	21.7
182.10429	1.2
183.08026	1.1
183.11670	0.5
190.07692	1.4
191.08542	7.9
193.04959	0.5
193.06461	3.2
193.10124	5.3
194.07246	5.5
194.10910	2.0
195.07993	2.8
195.11670	1.8
197.05965	1.4
197.09563	1.1
198.06752	1.3
198.10382	0.6
199.07710	0.5
199.11153	1.4
203.08537	1.4
207.08052	1.8
208.08821	6.8
208.12447	4.2
209.09595	46.8
210.10242	2.1
211.07520	10.4
211.10739	0.7
211.14688	0.5
212.08121	0.7
213.05368	0.7
213.12662	1.6
218.10884	1.2
221.09500	2.1
222.10359	1.5
223.07649	0.5
223.11263	3.7
223.14763	9.5
224.14920	0.5
225.09090	2.6
226.09865	23.1
227.10632	9.4
227.14229	0.5
233.13208	1.4
236.11958	4.6
239.10634	1.1
240.11418	3.4
241.12172	2.4
251.14291	26.3
252.14587	1.0
253.08543	1.0
254.09265	1.5
254.13016	2.3
269.11783	14.0
269.15320	100.0
269.18735	4.2
270.12195	0.7
270.15656	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
55.01862	4.0
55.05504	24.1
57.03428	35.3
57.07063	5.1
58.29255	2.8
67.05498	85.1
67.05857	4.1
69.07058	30.9
71.04982	7.3
71.08594	2.7
79.05479	42.8
81.07049	100.0
81.26782	2.9
83.04968	9.5
83.08601	21.7
85.06535	8.4
91.05484	22.6
93.07033	76.0
95.04939	9.4
95.08600	25.1
97.06515	15.2
99.08074	3.9
104.99258	6.6
105.07032	11.4
107.08581	36.4
109.06512	4.4
109.10101	3.7
111.08069	10.1
117.07001	10.2
121.10117	27.4
121.34515	3.1
131.08589	8.4
133.10118	6.7
135.11684	15.4
139.11205	3.4
149.13232	66.6
159.11653	25.2
177.12724	11.7
195.13843	15.7
211.10632	3.0
213.90175	2.7
229.53409	2.8
254.32809	2.8
269.17456	56.1
270.27963	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03935	2.0
55.01859	4.1
55.05509	18.9
57.03432	39.3
57.07061	4.5
59.82318	0.9
65.03947	1.7
67.05499	79.4
69.03413	2.3
69.07059	34.9
69.18071	1.1
70.02721	2.3
71.01375	1.0
71.04983	6.9
71.63931	1.0
77.03904	1.9
79.05489	46.2
81.03421	2.3
81.07050	100.0
82.07381	1.6
83.04980	12.2
83.08613	17.9
85.06548	6.8
91.04935	1.8
91.05476	21.4
91.42008	1.1
93.07036	73.2
95.04966	7.5
95.08601	29.0
97.06522	14.3
97.10157	2.1
98.22760	1.2
98.41367	1.0
99.08089	5.8
105.07021	8.6
107.08585	41.4
109.06512	3.4
109.10132	4.1
111.08084	9.7
113.06013	1.9
113.09676	2.2
117.07026	9.2
119.08594	2.9
121.06507	1.4
121.10126	27.1
125.09651	1.3
125.11185	1.1
131.08549	10.7
133.10129	9.3
135.08025	1.8
135.11676	12.0
139.11174	2.8
145.10199	1.9
147.11673	3.3
149.09547	1.2
149.13245	60.8
151.11172	1.2
156.48093	0.9
157.10155	1.6
159.11687	21.9
161.13213	1.3
167.14276	2.1
173.13258	1.1
177.12733	9.6
195.13774	12.7
213.16513	1.3
221.05328	1.0
223.07390	1.2
269.08014	1.8
269.17465	40.7
269.22406	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03944	2.3
55.01867	4.2
55.05510	22.8
57.03434	41.0
57.07078	5.3
62.60128	0.7
65.03935	3.0
67.05502	84.4
68.05846	1.1
69.03410	1.1
69.07064	33.6
71.01341	1.8
71.04985	8.3
71.08627	1.8
71.42272	0.9
73.02933	1.0
77.03922	1.1
79.05488	49.3
81.03407	1.7
81.07053	100.0
82.07358	1.3
83.04978	9.1
83.08617	18.6
85.06531	6.7
86.12207	0.9
91.05471	23.2
93.07037	73.5
94.07385	1.2
95.04959	8.0
95.08028	1.6
95.08601	24.9
97.06525	16.1
97.10135	2.1
99.08056	4.4
100.80053	0.9
105.04499	1.9
105.07017	9.6
107.08588	39.5
108.39169	0.8
109.06503	3.6
109.10139	5.1
111.08063	10.2
111.11710	1.9
113.09641	1.5
117.07010	8.5
119.08572	3.5
121.04562	0.8
121.06526	1.7
121.10135	28.7
123.11675	2.7
125.09649	1.4
127.07538	1.4
131.08572	10.5
133.10130	9.6
135.08032	2.0
135.11682	10.3
139.11165	3.7
143.08563	0.9
143.94754	0.9
145.10139	1.5
147.11679	2.1
149.13248	55.0
150.13564	1.3
151.11148	1.0
157.10185	1.6
159.11687	21.7
160.05096	1.0
164.38216	1.0
167.14301	1.8
171.11726	1.6
173.13216	1.5
175.14755	1.0
177.12729	9.6
185.13287	1.3
187.66019	0.9
195.07936	1.0
195.13760	12.0
199.14888	0.9
211.10814	0.9
213.16444	1.6
223.07492	5.4
251.07016	3.9
269.07932	2.5
269.11221	1.4
269.17465	41.1
269.22125	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	269.1899
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
55.05497	1.6
57.07056	1.2
58.27016	0.7
67.05486	0.9
69.07056	2.5
71.44250	0.7
80.37841	0.7
80.83813	0.6
83.08585	1.4
85.06540	4.0
91.05462	0.8
93.07095	0.7
94.39572	0.7
104.99262	5.8
105.07040	4.4
109.10126	0.9
111.08069	1.1
117.07019	1.8
123.11684	0.7
128.06187	1.6
129.06996	1.6
130.07785	2.6
131.08522	1.0
132.61974	0.7
141.06941	2.1
142.07733	1.4
143.08537	6.5
144.07722	0.6
145.10106	33.2
153.06947	1.2
154.07776	2.5
155.08545	2.6
156.09305	7.0
157.10144	4.1
159.08122	1.0
159.11661	2.4
165.06985	2.9
166.07742	2.5
167.08557	5.8
168.09351	1.4
169.06467	1.9
169.10103	8.1
170.10884	1.0
171.08049	17.2
171.11661	10.0
173.09628	1.6
179.08510	3.5
180.09297	2.3
181.10081	6.2
182.10828	1.3
183.08087	1.8
183.11664	6.6
184.08813	10.3
185.09619	4.0
185.13240	6.0
186.99414	0.7
193.10115	2.4
194.10884	3.3
195.11710	4.7
196.12375	1.9
197.09608	1.5
197.13249	4.0
198.10335	5.0
199.11159	35.9
199.14818	2.1
200.11528	1.4
207.11606	1.1
208.12466	1.7
209.13223	18.8
211.11127	1.7
211.14789	10.6
212.11752	0.9
213.12717	40.0
214.12924	1.0
217.12224	5.9
221.13284	2.2
223.14777	2.2
226.13457	1.3
227.14310	8.8
227.17946	0.7
236.15491	0.9
239.10484	1.0
241.19493	0.9
251.17950	11.1
254.12979	0.7
269.15643	4.2
269.18964	100.0
270.19391	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	269.1897
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
53.03947	0.3
54.54774	0.3
55.05511	1.6
57.07063	0.8
67.05490	0.7
68.09153	0.3
69.07059	2.5
69.77895	1.0
79.05479	0.4
80.24385	0.3
81.07038	1.0
83.08600	1.2
85.06536	4.1
85.18394	0.3
87.08080	0.3
91.05453	1.2
93.07026	0.8
95.08571	1.0
97.06498	0.3
105.07027	4.9
107.08566	0.6
109.10126	1.2
115.05451	0.5
116.06152	0.4
117.07002	2.4
118.58848	0.3
119.08558	1.1
121.10165	0.7
128.06223	1.2
129.06981	1.4
130.07777	2.4
131.08589	1.9
133.10126	0.5
133.18217	0.3
141.06940	1.9
142.07736	1.4
143.08548	6.9
145.02959	0.4
145.10114	35.5
146.10448	0.9
147.07993	0.4
147.11632	0.6
153.06992	1.1
154.07748	2.7
155.08548	3.8
156.09331	7.7
157.06378	0.4
157.10101	4.2
159.08051	0.9
159.11687	2.4
161.13281	0.6
165.07024	2.9
166.07774	3.1
167.08557	4.8
168.09280	1.3
169.06497	1.6
169.10124	8.1
170.10864	2.0
171.08035	18.5
171.11670	12.1
172.08324	0.4
173.09593	1.3
173.13251	0.7
175.14865	0.6
179.08551	3.5
180.09389	1.9
181.10098	5.3
182.10844	1.3
183.08054	1.9
183.11655	5.8
184.08823	9.3
184.12158	0.5
185.09613	4.6
185.13237	5.6
187.11143	0.7
193.10081	3.0
194.10809	2.3
195.11655	4.4
196.12476	1.8
197.09581	1.2
197.13214	4.8
198.10408	5.2
199.11169	35.1
199.14757	1.8
200.11493	1.0
207.11662	2.1
208.12344	1.3
209.13239	19.3
210.13649	1.1
211.11229	1.3
211.14790	10.0
212.11931	0.9
212.15259	0.5
213.12729	40.9
213.16129	1.1
214.13084	1.3
217.12210	3.9
221.13336	1.7
222.14001	0.9
223.14806	1.7
225.16360	0.6
226.13522	0.9
227.14287	9.1
227.17990	1.2
236.15561	1.0
241.19490	1.3
251.15210	0.4
251.15955	0.2
251.17914	12.8
269.18979	100.0
269.22333	4.1
270.19333	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	270.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11235	3.8
58.16236	3.6
59.05011	21.6
66.50051	4.0
69.94746	5.4
69.95079	7.3
75.04467	14.6
87.04462	26.9
89.06007	4.6
90.19363	3.8
98.23615	3.4
98.97527	5.1
103.03935	16.6
116.98492	4.1
131.03384	10.3
161.04414	37.8
190.86688	3.8
217.03426	100.0
223.01581	9.0
235.04512	19.5
247.01529	18.1
263.63617	4.5
265.02563	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03698	1.2
53.03944	22.3
55.01860	2.0
55.05491	1.0
57.03425	3.3
66.23495	0.7
69.03426	39.5
69.44530	2.3
71.04984	10.8
73.02913	26.9
81.03413	36.9
81.03902	1.4
83.01354	0.7
83.04937	1.1
85.02897	13.6
87.04460	5.2
97.02885	28.5
99.04448	71.1
101.02410	1.0
103.03927	6.8
109.02869	88.3
109.96403	0.9
110.03187	1.1
115.87983	0.8
127.03905	100.0
128.04221	1.0
138.02972	0.7
143.08499	0.9
145.04955	5.7
167.08536	0.8
169.04924	2.5
195.08046	1.3
196.08994	0.7
210.10349	1.3
225.12688	2.1
241.67500	0.7
253.06970	1.3
253.12260	4.0
271.05740	1.1
271.08133	9.2
271.13065	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	271.2055
Annotation	17beta-Methylestra-1,3,5(10)-trien-3-ol
Peak:m/z	Relative Intensity
50.89399	0.1
51.09573	0.1
52.50224	0.2
53.03913	0.1
54.01184	0.2
54.17451	0.1
54.55955	0.1
55.05507	1.7
57.07069	0.9
67.05495	1.8
69.06709	0.2
69.07059	3.3
69.27163	0.3
69.27565	0.6
71.08634	0.2
72.99919	0.2
79.05479	0.7
81.07048	6.8
83.08614	0.6
91.05466	0.5
93.07048	1.8
95.04961	0.3
95.08590	2.9
97.10147	0.7
105.07024	1.0
107.07964	0.2
107.08584	1.3
109.10139	1.4
111.11733	0.2
117.07023	0.2
119.08560	0.8
121.06490	9.8
121.10117	1.2
123.08022	0.2
123.11681	1.7
129.07001	0.3
131.08481	0.8
133.06461	0.6
133.10094	0.8
135.08038	3.0
137.13248	0.6
145.06490	0.4
145.10097	0.5
146.07237	0.4
147.08034	3.9
147.11667	0.2
148.08812	3.8
149.09602	3.4
149.13211	0.9
155.08597	0.3
157.10104	0.2
158.07291	0.4
159.08040	1.9
159.11676	0.3
160.08844	0.3
161.09604	6.4
171.08034	1.1
171.11728	0.2
172.08905	0.3
173.09621	2.3
174.10139	0.2
175.11165	2.5
183.11702	0.3
185.09613	0.4
186.10333	0.3
187.11163	3.4
188.11765	0.2
189.12733	0.5
199.11108	0.9
200.11983	0.2
201.12723	1.5
203.10513	0.2
213.12708	0.4
215.14305	0.5
215.17783	0.2
241.15736	0.3
243.17462	0.2
256.14462	0.2
256.18225	0.8
271.20526	100.0
272.20834	4.5
272.23581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2055
Annotation	Salvirecognine
Peak:m/z	Relative Intensity
55.05497	0.3
62.39219	0.2
67.05492	1.1
68.84648	0.2
69.07057	0.4
77.30563	0.2
79.05470	0.6
81.07056	1.5
91.05469	1.5
93.07032	1.4
95.08595	0.6
99.66792	0.2
103.05445	0.3
105.07041	1.5
106.07797	0.2
107.08572	0.5
109.10162	1.0
115.05442	0.5
116.06217	0.3
119.08578	0.8
121.06483	0.8
121.10128	0.6
123.11629	0.3
129.06981	0.6
130.07800	0.3
131.08569	0.9
133.06482	1.3
134.07213	0.4
135.08073	1.0
141.07016	0.3
147.08025	2.2
148.08792	1.5
149.09605	100.0
150.09972	2.2
155.08495	0.3
161.09621	0.2
163.11183	0.9
165.06949	0.3
166.07806	0.3
171.08047	0.4
173.09677	0.3
175.11209	0.5
182.98825	0.2
183.11717	0.2
188.62126	0.2
199.11209	0.3
201.12836	0.2
209.09616	0.6
215.14201	0.2
260.09436	0.2
271.20547	47.1
272.20847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2056
Annotation	Salvirecognine
Peak:m/z	Relative Intensity
50.72535	0.8
52.32684	0.7
55.05502	7.9
57.07067	1.1
67.05495	2.6
69.07063	27.5
70.32549	1.9
71.08606	1.8
71.19244	0.7
79.00380	0.9
79.05483	3.4
81.07054	12.8
83.08615	7.4
91.05466	2.9
93.07027	4.9
95.04937	0.8
95.08604	10.1
95.60078	0.8
97.10165	3.1
98.23444	0.9
104.11086	0.8
105.07006	4.9
107.04941	3.3
107.08579	6.8
108.07594	0.8
109.10144	6.0
115.05450	1.0
117.07002	2.9
119.08553	6.4
121.06501	4.1
121.10152	4.5
123.11712	2.6
129.06949	1.3
131.04883	0.8
131.08525	4.6
133.06493	2.9
133.10101	3.0
135.08105	0.9
135.11703	2.7
141.06990	1.9
143.08545	1.4
144.05663	1.5
144.09358	0.8
145.06471	13.1
145.10124	5.3
147.08040	23.9
147.11682	2.2
148.08310	0.8
149.09575	6.9
149.13220	2.8
154.07727	0.9
155.08533	3.0
157.07623	1.8
158.07243	2.5
159.08052	29.7
159.11671	4.2
161.09596	10.4
161.13234	3.7
163.11186	6.3
163.14796	3.0
169.07611	0.9
169.10085	1.6
171.08006	2.1
172.08804	2.9
173.09608	23.5
173.13214	2.4
175.11121	2.3
175.14810	2.4
177.12727	1.7
177.16446	1.1
181.10077	1.2
183.09132	1.6
183.11667	0.9
185.09613	1.8
186.10342	6.0
187.11165	13.7
187.14748	2.1
189.12732	32.9
189.16403	1.1
191.18025	0.8
196.12407	2.7
200.11823	0.9
201.12723	50.1
201.16393	3.6
202.13177	1.9
203.10654	1.5
203.14320	5.6
211.14821	1.9
211.52176	0.7
213.12784	4.1
215.10971	0.9
215.14308	20.1
215.17787	4.8
216.14627	1.2
228.15079	2.2
229.15857	37.2
229.19403	1.6
230.16229	1.6
235.76495	0.9
239.15375	3.4
241.12155	1.1
256.14548	1.7
271.17010	8.6
271.20529	100.0
271.24115	26.0
272.17596	1.6
272.20834	3.5
272.24036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05510	4.9
57.07067	2.3
59.16750	0.9
67.05506	9.4
69.07063	14.4
69.37758	4.2
79.05486	5.5
81.07053	24.5
83.08629	5.9
91.05470	3.8
93.07042	8.0
95.08599	32.9
97.10146	1.6
98.23479	1.4
105.07026	11.3
107.08578	17.5
109.10147	21.3
117.06990	1.6
119.08565	15.7
121.06482	0.8
121.10131	10.7
123.11686	7.3
131.08565	6.6
133.10112	12.8
135.11691	6.7
137.13245	1.5
139.91742	0.8
145.10115	12.4
147.11658	10.3
149.13266	6.9
159.11684	14.7
161.13261	10.7
163.14799	18.6
173.13272	8.0
175.14815	10.3
177.16325	6.2
187.07500	1.2
187.14801	7.3
189.16397	9.5
191.17926	2.6
201.16350	19.9
203.17940	1.5
215.10641	6.3
215.17926	15.3
216.18529	1.0
229.19502	4.7
243.21045	1.6
256.14499	2.6
271.16882	35.1
271.24167	100.0
272.17471	3.4
272.24515	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	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05499	6.6
57.07062	1.5
67.05493	7.6
69.07061	10.4
69.24035	3.0
79.05486	3.6
81.07050	22.4
83.08614	5.8
89.45488	0.6
91.05459	2.8
93.07032	9.6
95.04929	0.6
95.08601	24.6
95.09219	1.4
96.08881	0.9
97.10146	2.1
105.07017	8.4
107.08586	15.2
109.00307	0.6
109.10143	23.3
111.11687	0.8
116.79766	0.7
117.07010	1.5
119.08564	13.1
121.10134	11.2
123.11703	5.2
131.08572	4.1
133.10115	11.9
135.11688	6.4
137.13237	1.5
143.08502	0.7
144.86935	0.6
145.10104	12.9
147.11678	9.1
149.13249	9.6
157.10039	0.8
159.11676	11.7
160.12402	0.7
161.13245	9.2
163.14804	16.2
173.13249	9.7
175.14816	9.3
176.08238	0.6
177.16353	6.7
178.97539	0.6
186.38676	0.6
187.07574	0.8
187.14809	7.7
189.16357	9.3
191.17923	2.3
199.07536	1.5
201.16371	18.2
203.10657	1.3
203.17909	1.5
215.17905	14.1
229.19536	3.5
243.21162	1.2
256.14505	0.9
271.16998	3.6
271.24170	100.0
272.17593	1.4
272.24475	2.8
285.47992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.6
57.07060	4.0
67.05498	10.2
69.07064	13.7
69.42554	2.3
70.14066	1.0
71.08657	0.8
79.05479	4.4
81.07050	27.2
83.08610	7.3
85.37736	1.0
91.05476	3.6
93.07046	9.5
95.08598	33.1
97.10167	2.3
105.07009	11.9
107.08586	17.1
109.10144	24.3
117.07017	2.9
119.08576	18.9
121.10126	12.8
122.15863	1.0
123.11690	8.1
127.08027	1.1
131.08534	4.7
133.10104	13.0
135.11658	8.9
137.13272	1.5
143.08546	1.6
145.10121	15.5
147.11632	11.7
149.13246	8.6
152.68330	1.1
157.10114	1.1
159.11688	16.8
161.13225	11.0
163.14787	18.5
173.13235	12.7
175.14796	10.6
177.16389	7.0
177.17702	1.1
185.13173	1.1
187.07594	1.2
187.14825	11.8
189.16339	9.7
191.17905	2.0
199.07564	2.9
201.16370	23.5
203.10631	1.9
203.17886	2.0
212.23604	1.1
215.10634	1.3
215.17926	18.0
229.19505	3.9
230.24756	6.7
256.14456	1.7
271.06122	1.6
271.16919	9.8
271.24176	100.0
272.17584	1.8
272.24716	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
54.73847	0.5
55.05506	5.8
57.07075	3.6
58.44403	0.5
67.05501	9.0
68.01043	0.5
69.07063	10.4
69.68347	2.5
71.08588	1.1
79.05487	5.2
81.07050	19.7
83.08607	5.2
83.99516	0.5
91.05466	5.1
93.07037	14.8
95.08598	30.0
97.10166	1.7
98.23425	0.7
101.78230	0.5
105.07025	13.8
107.08584	22.4
109.10149	24.5
117.07004	3.1
119.07743	1.2
119.08572	22.3
121.10135	19.9
123.11682	11.6
125.13234	0.9
129.06914	0.7
130.07791	0.9
131.08562	10.1
133.10120	15.0
135.11681	9.6
137.13237	2.2
143.08527	1.1
144.09325	1.0
145.10112	15.3
146.10445	0.7
147.11671	13.6
149.13239	10.8
151.14819	1.1
157.10095	1.2
159.11681	16.2
161.13249	12.2
163.14793	10.4
169.10023	0.6
171.11687	0.8
173.13260	9.8
175.11211	0.6
175.14804	11.1
177.16364	4.5
185.13269	0.9
186.13905	1.0
187.07574	0.8
187.14790	10.2
189.16348	3.4
191.17940	1.2
199.14874	0.9
200.08267	0.9
201.16360	16.5
202.16980	0.7
203.10628	1.3
203.17908	2.3
213.16341	1.1
215.10744	0.9
215.17920	21.7
216.18401	1.3
227.17928	0.7
228.18646	0.7
229.19466	7.9
241.12241	1.8
243.21072	1.7
256.14609	4.1
271.16916	19.6
271.24167	100.0
272.17383	2.0
272.24503	5.7
272.29416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.05505	5.2
57.07062	2.2
67.05501	11.7
69.07057	11.4
69.59731	0.9
69.85656	3.5
73.06524	1.3
78.59644	0.8
79.05487	5.7
81.07047	30.7
83.08604	4.3
86.64732	1.0
87.32030	1.1
91.05473	7.0
93.07034	14.8
94.07344	1.1
95.08596	35.1
96.08949	1.2
97.10149	1.9
105.06341	1.9
105.07018	21.4
107.08584	21.1
109.10146	24.1
117.07014	2.0
119.08568	20.3
121.10135	17.0
123.11696	11.5
131.08566	6.0
133.10123	11.7
135.11662	9.9
137.13234	2.1
145.10107	10.8
147.10565	1.8
147.11673	21.4
149.13240	12.8
157.10112	1.1
159.11667	10.8
161.13251	24.1
162.13557	1.2
163.14809	9.3
170.10895	1.1
173.13211	9.7
175.14798	17.5
177.16328	4.3
183.08032	1.2
187.07536	1.9
187.14848	7.6
189.16388	7.9
199.07516	3.7
201.16350	13.7
203.10645	5.1
203.18060	1.1
206.75543	1.0
215.10649	2.1
215.17934	11.2
229.19478	3.5
243.21155	2.5
271.16940	7.2
271.21024	3.4
271.24155	100.0
272.17633	3.5
272.24622	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	272.2008
Annotation	Methorphan
Peak:m/z	Relative Intensity
55.05504	0.8
56.72253	0.6
57.07069	1.5
58.06587	1.0
62.06060	0.7
69.73177	2.4
79.05502	0.7
83.85281	0.7
95.21398	0.8
105.57005	0.7
105.99680	0.7
106.42977	0.9
118.06541	1.4
132.08076	2.9
144.08054	1.3
155.08324	0.7
157.08842	1.4
158.09628	7.3
159.10425	1.3
171.10388	1.2
172.11182	4.8
173.11960	2.8
174.12767	25.7
184.11157	4.5
185.11989	1.3
186.12743	1.4
197.13225	2.4
198.12776	8.5
199.13535	31.8
200.14305	11.0
214.15892	39.7
215.16649	14.4
242.15431	0.9
271.69553	0.7
272.20062	100.0
272.29468	7.3
273.20419	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70669	0.6
61.81294	0.7
70.15900	1.5
74.09705	2.8
75.06345	0.5
79.08482	0.5
85.02900	0.6
96.85480	0.5
112.05261	1.4
114.89305	1.0
130.06284	3.2
143.00909	0.5
150.20790	0.6
156.04201	100.0
157.04596	0.8
176.93605	1.3
183.05312	0.6
203.03757	0.5
214.87900	0.6
263.05966	0.7
272.97769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
55.05508	19.7
57.03421	2.4
60.88994	1.0
61.99218	1.1
65.03926	1.2
66.92539	1.1
67.05479	1.9
72.03719	1.0
79.05484	1.1
83.04975	35.9
91.05471	41.2
92.21545	1.0
95.04959	2.0
96.58787	1.2
103.05453	3.1
105.07029	17.3
113.09859	1.0
114.37965	1.0
115.05447	19.8
116.06221	4.1
117.07008	100.0
118.07297	1.5
119.04919	7.0
128.06207	10.0
129.07001	18.1
130.07784	14.3
131.08560	27.9
134.23186	1.1
136.86432	1.1
138.31609	1.1
143.08540	6.8
145.06474	3.3
145.08965	2.1
145.10103	35.6
146.10359	1.1
153.06966	6.6
154.07739	4.7
155.06046	1.8
155.08543	16.6
158.07254	2.9
173.09601	53.1
174.81329	1.0
213.12914	1.1
222.71094	1.1
254.04024	1.1
273.14771	3.3
274.27429	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03939	1.4
55.01872	4.9
55.05256	1.3
55.05507	21.1
57.03427	2.8
57.07067	1.4
60.54270	0.8
60.59029	1.1
65.03919	1.7
67.05499	15.4
69.03418	1.5
69.07066	9.8
69.16679	5.7
71.04975	2.3
73.06530	1.0
79.05491	15.1
81.03403	1.6
81.07050	17.5
83.04974	2.5
83.08609	10.6
85.06509	1.0
91.05471	32.2
93.07035	12.5
95.04977	5.1
95.08600	10.4
97.06533	1.5
97.10149	4.3
98.22748	1.5
98.97583	2.4
99.08080	1.4
103.05452	2.5
105.07022	29.3
107.04953	2.3
107.08585	7.3
109.06493	3.6
109.10148	4.3
111.08089	1.9
115.05439	5.5
116.06245	4.8
116.98598	2.0
117.06165	1.8
117.07006	36.3
119.04893	1.4
119.08571	21.8
121.06483	3.2
121.10140	3.1
123.08038	2.8
125.09622	2.5
128.06216	6.5
129.06993	16.0
130.07759	7.7
131.08556	53.9
132.08852	1.1
133.06494	5.3
133.10129	6.3
135.08032	4.7
141.07014	2.1
142.07747	2.6
143.08548	37.6
144.09293	3.2
145.06462	2.5
145.10109	66.2
147.08026	13.3
147.11679	3.4
149.09616	3.2
155.08553	3.7
157.06398	1.3
157.10101	19.3
158.10823	1.5
159.08076	5.4
159.11670	18.8
161.09595	8.4
163.11237	1.8
165.07079	1.0
167.08493	1.9
169.10139	5.0
171.08055	1.1
171.11656	11.2
173.09605	3.4
173.11830	0.9
173.13203	3.2
175.11169	3.7
177.12770	1.1
181.10092	2.8
183.11673	2.2
185.09589	1.3
185.13200	3.6
187.11182	2.3
193.10306	1.1
195.11656	6.2
197.13074	0.9
199.11186	1.6
201.12729	1.6
209.13336	1.1
211.14748	2.2
213.12708	1.7
213.16356	1.9
217.15918	1.0
227.17937	3.6
231.13802	1.0
237.16338	9.4
245.18968	3.5
255.17413	14.2
256.17526	1.0
273.18460	100.0
274.18842	4.4
274.27374	2.4
276.73328	0.9
290.94617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2212
Annotation	5a-Androst-3-en-17-one
Peak:m/z	Relative Intensity
51.31870	8.0
55.05503	24.2
56.45334	7.8
64.97945	7.9
67.05484	26.7
69.07053	32.2
69.92954	21.9
71.52274	7.1
72.25619	6.9
79.05486	24.0
81.07056	100.0
83.04970	26.6
83.08585	13.8
91.05476	24.1
93.07040	54.7
95.08601	70.6
97.37300	7.0
98.97575	31.8
105.07022	39.4
107.08589	64.4
109.10146	38.9
116.98629	18.9
117.06982	17.8
119.08578	58.2
121.10110	45.7
123.11692	10.6
125.09579	7.5
131.08530	15.0
133.10127	31.8
134.99673	11.1
135.11681	25.6
143.08585	11.5
145.10101	26.6
146.86865	7.3
147.11642	20.6
149.09647	15.4
149.13255	12.2
157.10103	12.2
157.50790	7.5
159.11665	29.9
161.13229	23.9
173.13264	14.0
175.14799	14.8
185.13216	9.3
187.14836	10.4
199.14767	11.4
213.16379	14.8
215.17943	12.2
255.17563	8.3
255.21071	46.4
268.94000	9.9
273.14423	12.9
273.18454	29.5
273.22144	77.9
273.25089	9.5
273.25598	8.0
274.27377	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	274.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17682	0.4
56.96566	12.4
69.72327	1.3
70.98116	1.4
71.95267	0.7
76.12936	0.4
81.81588	0.4
98.97578	100.0
113.07018	0.5
116.98616	41.7
125.06947	0.4
130.93265	1.0
134.99658	8.9
140.00156	0.5
140.44208	0.4
146.99678	0.4
153.00742	0.7
172.94324	4.1
172.97583	1.5
190.95361	3.0
190.98665	1.8
208.96497	0.5
214.95386	2.1
218.98030	0.4
225.51395	0.4
232.96448	6.0
232.99736	1.3
250.97479	2.5
251.00372	0.4
256.96402	11.7
256.99008	0.7
274.97491	67.9
275.97900	1.1
292.98544	37.7
293.98834	0.8
297.99048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30518	0.5
56.96282	0.9
56.96560	13.1
61.50631	0.5
69.42183	2.8
70.95866	1.2
70.98147	0.5
98.23589	0.7
98.97574	100.0
101.00895	1.0
104.30669	0.5
115.03100	0.5
116.98611	44.7
119.01916	2.1
121.14200	0.5
134.99646	14.4
145.03481	1.0
153.00771	1.4
172.94327	4.0
185.02834	0.5
187.04536	1.4
190.95323	4.0
208.96127	1.7
214.95360	1.9
223.14253	0.6
229.05612	1.3
232.96413	6.7
250.97247	3.1
256.96414	10.2
256.99020	0.9
258.38013	0.7
274.97458	77.8
275.05948	2.0
275.10974	3.2
292.98505	37.6
293.98807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82852	3.3
56.96559	15.5
57.22835	3.6
58.30822	3.1
69.05400	3.0
69.68957	8.0
69.69306	5.8
82.30269	3.6
88.87289	3.1
98.97569	100.0
112.64677	3.1
116.98613	51.1
134.99641	15.7
172.94398	3.8
190.95387	4.5
232.96454	4.0
256.96454	9.9
274.97473	59.8
292.98532	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0372
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
50.76759	1.5
53.41806	1.4
56.96566	10.4
70.95856	12.3
78.25735	1.7
88.96882	2.4
98.97576	62.1
101.00903	4.5
106.12305	1.6
115.86024	1.6
116.98610	48.5
119.01929	12.9
120.02006	1.8
128.43846	1.7
131.01898	1.9
132.02602	1.7
134.99664	23.3
137.02913	4.7
140.46301	2.1
143.01929	1.8
143.03134	3.4
145.03465	5.4
150.96875	2.1
153.00720	3.6
161.02856	2.3
168.05998	2.0
187.04477	2.2
190.94991	7.7
194.03479	1.9
208.95940	12.6
214.95084	2.2
215.01663	5.6
221.01761	2.7
224.04497	5.6
232.96010	18.5
249.99268	1.6
250.97095	12.9
254.05548	2.0
256.96451	8.8
257.02655	100.0
258.03043	2.0
274.27332	2.9
274.97284	83.0
275.03687	73.5
275.11002	19.8
275.20856	1.9
275.97348	3.6
292.94852	2.1
292.98306	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1066
Annotation	Sterequinone A
Peak:m/z	Relative Intensity
57.07061	0.3
66.65069	0.3
69.22820	2.0
70.06607	0.8
74.14925	0.4
88.07612	0.9
93.64417	0.3
95.08597	1.0
113.48473	0.3
134.03386	0.3
152.06114	0.3
152.71266	0.3
165.06818	0.3
173.05972	0.4
178.07680	0.9
179.08563	0.4
183.08005	0.5
189.06973	22.5
190.07570	1.7
191.08519	1.4
193.10110	4.6
201.09081	0.5
202.07693	2.8
203.08537	14.5
204.09328	52.8
205.06546	0.4
205.09790	2.1
214.07693	0.7
215.08545	0.6
217.06471	1.1
217.10139	0.9
218.07202	0.7
218.10863	1.0
219.11670	38.8
220.12047	1.5
227.08517	0.6
228.09282	0.6
229.10100	5.6
231.08018	2.4
232.08812	23.9
233.09123	0.9
246.10356	1.0
247.11162	79.1
248.11528	3.0
257.10114	0.3
259.07483	1.6
259.80472	0.4
260.08295	4.9
274.27365	4.5
275.10635	100.0
275.27670	2.9
276.11029	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.01878	0.7
57.03419	0.8
57.07073	11.5
57.25951	0.5
62.48494	0.6
65.03919	0.7
65.49973	0.7
67.05505	2.7
67.75731	0.6
68.38638	0.7
70.06586	1.0
70.70659	1.3
71.53932	0.7
73.31854	0.6
79.05484	1.7
79.34705	0.7
81.07053	0.9
83.04972	1.5
85.06549	0.7
88.07608	1.0
89.07919	0.7
91.05476	31.9
92.05791	0.7
93.07050	1.5
97.15924	0.7
98.23388	0.9
101.27044	0.8
103.05453	2.3
105.07024	15.1
107.08595	1.1
115.05442	15.3
116.06245	4.9
117.07013	100.0
118.07327	2.2
119.04951	4.7
119.08568	1.3
123.51130	0.7
128.06219	7.5
129.06999	13.0
130.07770	10.8
131.04910	1.2
131.08560	18.6
143.08559	5.7
145.06473	2.3
145.10115	27.7
153.06949	4.7
154.07779	1.6
155.06046	0.8
155.08536	11.0
158.07315	2.3
173.09612	46.1
174.09976	0.8
176.96725	0.7
183.39192	0.8
191.10683	2.8
257.15341	1.3
274.27396	1.4
275.16437	3.4
275.20044	2.4
275.27713	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03946	2.9
55.01613	1.7
55.01867	19.2
55.05260	1.3
55.05508	21.8
61.89695	1.1
65.03946	1.6
67.05502	25.5
67.47994	1.0
68.16148	0.9
68.77656	1.1
69.06706	1.5
69.07061	16.4
71.04971	2.1
71.24213	1.4
79.05489	31.8
81.03394	1.6
81.07053	48.5
82.11359	1.0
83.04969	4.1
83.08606	7.6
85.06549	1.4
91.05480	63.7
93.07041	23.8
95.04965	9.0
95.08609	17.1
97.06530	20.5
97.10154	2.3
97.81663	1.1
103.05456	3.0
105.04523	2.0
105.07025	100.0
106.07356	2.0
107.04955	6.4
107.08598	16.6
109.06511	5.5
109.10163	7.5
111.08022	1.2
117.07017	13.1
119.08572	46.5
121.06490	3.2
121.10155	7.3
123.08064	2.1
123.11702	1.5
123.37605	1.0
125.09602	1.9
129.07028	2.7
131.08553	20.3
133.10121	56.0
135.08046	3.9
135.11655	5.2
137.09575	1.6
139.07639	1.1
143.08603	2.2
145.10117	16.6
147.11678	24.0
149.09589	6.2
149.13220	3.2
151.11183	3.3
155.08603	2.3
157.10109	2.7
159.11670	11.5
161.09644	2.0
161.13255	5.6
163.11166	3.1
165.09109	2.4
169.10074	1.9
171.11736	2.4
173.13213	3.1
175.11215	1.5
177.12723	2.4
179.14258	2.5
183.11664	2.9
187.59921	1.2
193.12177	1.5
197.13354	1.2
219.17464	2.2
222.76743	1.1
229.19553	2.0
239.17889	2.2
247.20540	3.9
257.18921	7.7
274.27356	1.4
275.04865	3.7
275.20047	88.3
275.27606	5.8
276.20398	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	1.2
55.01867	2.6
55.05257	0.9
55.05505	12.6
57.01893	0.6
57.03426	0.6
57.07064	1.5
64.21612	0.5
65.03924	1.2
67.05495	17.7
69.03432	1.0
69.07056	9.5
70.06598	0.7
71.04977	2.0
71.08622	0.7
73.06525	0.7
77.03920	0.7
79.05482	18.3
81.03404	0.6
81.07047	17.7
83.04977	2.7
83.08602	4.0
85.06523	1.4
88.07629	0.9
91.05467	39.2
93.06445	0.9
93.07033	17.6
95.04959	4.2
95.08595	11.3
97.06550	2.6
97.10141	1.6
97.27575	0.5
98.22691	1.3
98.97549	1.4
103.05463	2.5
105.07018	57.2
106.07356	1.0
107.04957	2.7
107.08580	14.3
109.06516	2.6
109.10146	5.8
111.08067	1.0
115.05448	0.8
116.98576	1.3
117.06993	9.2
118.07707	1.0
119.08566	34.0
121.06454	2.9
121.10136	7.1
123.08049	1.8
123.11725	1.6
125.09620	1.6
125.85561	0.5
129.06990	2.7
131.08560	14.5
132.09367	0.7
133.06477	1.2
133.10114	32.8
134.99646	0.8
135.08055	3.0
135.11685	4.2
137.09557	2.7
141.06950	1.1
142.07722	0.8
143.08531	1.5
145.10114	13.7
146.10864	0.6
147.08034	0.9
147.11667	21.7
148.08780	0.6
149.09598	5.6
149.13266	1.0
151.11177	1.2
152.73145	0.5
155.08539	1.0
156.09236	0.6
157.10107	2.5
159.07997	0.6
159.11659	7.7
160.12416	0.7
161.09605	1.4
161.13243	6.4
163.11183	3.1
165.09073	1.0
169.10123	1.9
171.11665	2.8
173.13167	4.0
175.11203	1.3
175.14748	0.9
177.12743	1.2
179.14175	0.7
183.11641	1.8
185.13312	1.2
187.11212	1.1
187.14775	1.3
197.13240	2.3
201.12740	1.2
205.12201	0.7
213.16461	0.7
215.17856	1.3
219.13722	1.1
229.19508	1.9
229.34160	0.5
233.15346	1.2
233.19011	1.1
239.17915	3.5
247.20644	1.6
249.18137	0.6
257.18958	7.6
274.27359	0.8
275.20023	100.0
275.27753	2.3
276.20334	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03933	1.9
54.02292	1.3
55.05506	17.3
57.03429	3.2
57.07076	7.2
67.05497	20.3
68.99800	1.6
69.03423	9.0
69.07062	11.0
69.13535	5.8
69.13939	3.3
71.04982	3.9
79.05489	35.4
81.07055	19.1
83.04971	14.1
83.08604	6.1
83.31454	1.6
85.06045	2.9
85.06536	36.8
91.05464	14.4
93.07043	22.2
95.04942	7.8
95.08607	19.8
97.06519	2.9
97.10146	2.8
98.22701	3.4
99.08078	13.3
103.05455	1.8
105.07023	24.3
107.04951	10.8
107.08580	22.2
109.06519	6.5
109.10155	20.6
111.08066	5.5
113.09634	5.1
117.07005	5.1
119.08572	30.2
121.06505	6.0
121.10138	40.9
122.07279	16.9
123.08082	4.1
123.11708	3.3
125.05997	2.8
125.09631	10.2
129.06976	3.4
130.07825	2.0
131.08548	16.6
133.06512	1.5
133.10123	24.2
134.95302	1.5
135.08055	9.5
135.11682	15.7
137.09605	79.6
139.11154	6.0
142.07793	2.1
143.08562	5.9
144.09322	1.8
145.06538	2.0
145.10117	25.2
147.08005	3.4
147.11681	11.2
149.09615	16.2
149.13287	1.6
151.11270	2.7
153.08994	1.7
155.08514	3.6
157.10120	8.5
158.10951	3.3
159.08052	4.6
159.11676	17.4
161.09590	9.3
161.13232	2.7
163.11200	13.6
163.14841	7.5
171.11687	4.6
173.09578	3.3
173.13254	27.8
175.11174	5.2
175.14816	4.3
177.12743	3.9
183.11687	2.2
185.13263	2.5
186.10408	2.8
187.11166	5.6
187.14809	15.3
189.12706	2.7
191.14288	20.0
197.13338	3.6
199.14789	7.5
201.12692	11.1
203.14340	2.2
215.14317	7.8
215.17966	4.4
217.15837	13.9
219.13846	14.2
229.19563	7.7
229.33589	1.7
239.17845	3.1
257.18985	16.8
275.20056	100.0
276.20380	2.2
283.08032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.24820	0.6
53.03917	1.0
55.01864	3.6
55.05506	19.5
57.03422	1.7
57.07057	1.6
65.03925	2.0
67.05500	21.2
67.05862	1.2
69.03424	0.6
69.07066	11.4
71.04982	1.9
71.41195	0.7
73.06513	0.8
73.34774	0.7
76.16329	0.7
79.05483	23.6
81.03414	0.8
81.07050	28.6
82.07362	1.0
83.04958	2.9
83.08611	6.8
85.06536	1.4
91.05473	51.6
92.05856	0.6
93.07038	23.4
95.04961	4.0
95.08604	18.2
95.09214	1.3
97.06516	2.9
97.10159	3.4
99.08087	1.1
103.05429	2.0
104.06229	0.9
105.04513	1.6
105.07021	81.7
106.07341	1.2
107.04930	2.7
107.08578	15.7
109.06509	4.2
109.10153	7.6
111.08107	1.0
115.05450	1.2
117.07001	13.8
119.08571	39.6
119.34964	0.7
120.08901	0.7
121.06503	3.5
121.10133	7.2
123.08041	2.5
123.11682	2.0
125.09597	1.7
129.06982	1.9
130.07744	1.0
131.08549	19.3
133.06511	1.1
133.10115	48.4
134.10445	1.1
135.08061	3.2
135.11658	4.2
137.09593	2.0
139.11130	0.8
142.07683	0.8
143.08525	3.0
143.16182	0.7
145.10112	17.2
146.10742	0.9
147.07950	1.0
147.11671	23.7
149.09599	5.9
149.13245	2.8
151.11160	1.9
155.08527	1.0
157.10106	3.6
157.43279	0.7
159.07994	1.0
159.11656	8.6
161.09616	1.7
161.13223	5.8
163.11119	3.7
163.14801	0.8
165.09149	0.9
165.12744	0.8
169.10124	1.6
171.11713	3.7
173.13220	5.0
175.14857	0.9
177.12680	1.5
179.14175	0.8
183.11676	2.4
185.13243	1.0
187.11151	1.5
197.13242	3.2
201.12639	1.0
213.16431	0.9
215.17848	0.9
229.19487	2.4
233.15428	0.8
239.17931	3.4
247.20656	1.8
249.30789	0.7
257.18930	8.7
258.19305	1.2
274.97543	1.1
275.20038	100.0
276.20316	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01878	2.9
55.05258	1.2
55.05507	15.5
57.03427	1.2
57.07064	0.9
65.03933	1.1
67.05161	1.2
67.05499	17.9
67.05859	1.0
69.07059	8.9
71.04982	2.4
72.71980	0.6
79.05040	1.1
79.05487	19.4
81.07050	17.9
83.04967	2.0
83.08617	4.8
84.49848	0.5
85.06535	1.1
85.46346	0.5
91.05475	40.5
92.05819	0.9
93.07042	16.8
95.04967	4.2
95.08599	12.5
96.34550	0.6
97.06516	2.3
97.10144	2.6
98.97549	1.3
103.05414	0.9
105.04417	0.9
105.07023	60.6
106.07344	0.9
107.04966	3.8
107.08590	16.7
109.06519	2.4
109.10151	5.8
111.08054	1.7
113.84812	0.6
115.05373	0.8
115.07526	0.6
116.98631	1.4
117.07010	11.0
119.08571	28.4
121.06515	2.7
121.10138	7.1
123.08056	1.6
123.11646	1.1
125.09591	1.4
129.06998	2.2
130.07785	0.7
131.08551	14.5
133.06541	0.8
133.10121	34.9
135.07048	0.7
135.08032	2.8
135.11676	3.8
137.09575	1.3
141.06961	1.2
143.08545	2.6
145.10110	15.3
146.10789	0.7
147.11673	23.6
148.12045	0.9
149.09613	6.1
151.11111	0.9
155.08536	2.1
157.10107	2.5
159.08070	0.9
159.11681	7.3
161.09590	1.0
161.13237	4.5
163.11137	4.2
163.62572	0.6
165.09177	0.7
169.10170	1.3
171.11661	2.7
173.13229	3.8
175.11122	2.0
177.12743	1.4
181.12355	0.9
183.11691	1.8
185.13229	0.9
187.11169	0.9
187.13219	0.8
197.13260	1.7
199.14787	0.8
205.12224	1.0
229.15875	0.9
229.19534	2.3
233.15411	1.1
239.10532	0.6
239.17912	4.5
247.20529	1.8
257.18988	9.7
274.97549	1.1
275.20044	100.0
276.20444	2.7
292.98535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61492	1.9
56.96561	10.9
59.01485	1.9
69.87630	4.6
69.88022	4.2
76.65248	1.9
79.50818	1.8
98.97577	100.0
114.96197	1.9
116.98615	48.5
119.01946	3.2
134.99644	15.3
163.03941	1.9
174.79691	2.0
176.46649	2.0
205.50381	2.4
210.95915	5.2
219.02039	2.8
234.95949	3.6
235.96671	2.2
240.98595	2.6
252.97021	7.3
258.96942	3.0
258.99750	59.4
276.97003	10.7
277.00790	79.6
277.04056	2.9
294.98022	9.2
295.01471	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	10.4
69.85352	1.5
69.85680	2.6
70.98087	1.2
89.43388	1.1
98.97579	100.0
99.97896	1.1
100.97166	4.3
100.97982	3.5
109.58698	1.2
116.98617	43.5
118.98194	1.5
118.98997	1.3
119.01903	2.8
134.99651	12.1
153.00639	1.6
161.02905	1.6
171.64337	1.4
175.00836	2.1
182.95767	1.1
202.68875	1.4
217.01950	1.7
232.96327	1.6
235.02998	2.0
240.98669	3.9
256.42258	1.4
258.97156	2.3
258.99728	41.6
259.99890	2.2
274.97482	2.2
276.97556	10.7
277.00742	58.4
277.07501	1.7
278.01114	2.1
283.65860	1.1
294.98553	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	277.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40628	2.9
70.64217	4.2
72.64447	3.0
77.02201	3.2
80.84178	2.7
81.26183	3.0
82.14400	3.2
84.55437	3.3
84.69019	3.1
86.94474	2.9
101.00879	13.3
103.97707	2.9
114.50611	2.9
119.01918	13.7
131.01938	10.0
143.01903	9.4
155.01880	6.2
157.03514	4.2
161.02950	20.8
173.02934	8.8
179.18907	3.0
187.04655	3.3
217.42413	2.7
245.05042	4.7
246.50679	4.1
277.03149	9.9
277.09009	100.0
285.23666	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	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	14.0
61.76604	2.8
70.72499	4.2
80.18456	2.6
82.99850	3.6
83.80514	2.8
98.97577	100.0
101.00877	31.6
102.69608	2.7
104.20907	2.9
113.00875	7.8
116.98611	45.4
119.01917	54.8
131.01901	26.7
133.03503	3.3
134.99658	10.6
137.02966	6.6
143.01875	29.6
145.03445	9.2
155.01924	15.9
157.02309	3.0
157.03409	15.2
161.02951	75.3
170.38358	3.2
173.02953	23.8
175.04512	10.3
177.00952	3.1
185.02998	13.5
187.04555	8.2
191.04012	9.1
203.04024	10.8
205.05612	7.4
219.02010	2.9
221.01706	4.0
240.98550	3.3
245.05069	18.0
252.37424	3.1
258.99728	54.3
263.02844	21.9
276.97665	4.1
277.00745	65.3
277.03360	7.2
277.07632	58.7
278.01041	3.2
278.08023	3.3
295.02951	3.3
295.08820	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0857
Annotation	Tanshinone I
Peak:m/z	Relative Intensity
70.03818	0.8
70.04225	0.5
80.36486	0.3
81.63552	0.4
82.98969	0.4
128.82056	0.3
141.06923	0.8
159.07980	0.6
165.07005	1.2
167.08574	0.6
169.06461	4.4
169.07666	1.0
177.06912	0.7
178.07756	46.0
179.08267	2.4
184.15065	0.4
190.07735	0.6
192.09274	2.4
193.10114	24.6
194.10382	1.0
195.79608	0.4
202.07790	4.2
203.08513	8.2
204.08745	0.4
205.06476	1.2
206.07248	4.1
207.08029	0.8
221.09581	10.1
222.10121	0.3
231.08005	6.8
232.08540	0.8
234.06732	10.2
235.07144	0.6
248.08372	0.6
249.09079	71.6
250.09471	2.5
259.07550	1.3
260.08148	0.3
261.05692	0.4
262.06238	2.8
277.08560	100.0
278.08890	5.7
290.83279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0858
Annotation	6,8-Dihydroxy-4-methyl-7H-benz[de]anthracen-7-one
Peak:m/z	Relative Intensity
53.65553	0.3
63.79080	0.3
65.79233	0.3
69.50085	1.3
116.98563	0.4
132.01904	0.3
141.06966	0.6
149.02292	0.5
149.13203	0.4
152.06198	0.5
153.06950	0.5
165.07011	2.2
169.06451	1.0
176.53137	0.3
177.06833	0.3
178.07751	17.7
179.08446	1.5
186.49988	0.3
189.07005	1.2
190.07732	2.4
191.08540	8.1
192.09322	2.1
193.10112	8.4
202.07761	12.3
203.08536	8.6
204.09039	0.8
205.06450	1.0
206.07256	1.9
207.07950	0.7
218.07246	1.1
219.08046	3.4
220.08807	1.0
221.06104	0.5
221.09607	7.4
230.07141	0.3
231.07988	5.8
232.08603	0.5
234.06746	2.7
235.07538	0.3
247.07570	2.4
248.08252	1.0
249.09088	20.0
250.09428	0.8
259.07507	6.1
260.07999	0.7
262.06274	0.4
276.07718	0.7
277.08569	100.0
278.08905	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.086
Annotation	Tanshinone I
Peak:m/z	Relative Intensity
52.93998	0.2
55.83889	0.3
64.99712	0.3
71.32411	0.3
73.07719	0.3
75.86500	0.3
78.60627	0.3
79.05464	0.4
81.07071	0.3
89.00663	0.3
112.59515	0.3
141.06963	0.8
142.55424	0.3
149.02393	0.4
153.07028	0.4
159.08112	0.6
165.06998	1.6
167.08554	0.3
169.06493	3.9
169.07661	0.6
176.06210	0.4
177.07005	0.9
178.07762	43.5
179.08415	2.1
191.08516	0.8
192.09372	2.0
193.10118	24.7
194.10516	0.9
195.08080	0.4
199.29559	0.3
202.07764	4.4
203.08545	7.4
204.08994	0.3
205.06471	1.6
206.07257	5.1
207.07977	1.0
219.08012	0.3
220.08882	0.7
221.06174	0.6
221.09604	9.4
221.11774	0.5
222.09872	0.4
231.08046	6.8
232.08571	0.4
233.05885	0.5
234.06744	10.5
235.07205	0.4
248.08263	0.6
249.09090	64.3
250.09456	2.7
259.07513	1.4
262.06235	2.7
277.08578	100.0
278.08902	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49155	0.3
56.65774	0.3
100.69760	0.3
146.02098	0.8
155.91299	0.3
185.04137	0.5
219.23270	0.3
223.31476	0.3
232.57646	0.3
277.08911	100.0
278.09241	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	277.1069
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
55.01854	1.0
55.05486	1.3
57.07024	0.7
58.06579	0.7
59.04982	0.7
60.11562	0.6
67.05495	3.0
69.07031	1.3
71.43516	0.8
79.05503	4.7
81.07050	3.7
85.06520	0.7
88.07594	3.0
91.05441	2.2
93.07044	4.1
95.04960	1.0
95.08554	2.3
103.05434	0.6
105.06992	1.1
107.08549	1.9
109.10102	1.4
110.66141	0.6
115.05405	2.6
117.06969	2.4
121.10112	3.9
123.04370	1.9
128.06195	7.7
129.06995	23.4
131.08527	1.6
132.10139	0.7
133.06454	1.3
133.10025	0.8
135.11656	2.6
137.05884	1.3
141.06963	7.6
142.07770	8.0
143.04887	1.3
143.08568	9.4
144.05692	1.2
145.06427	2.4
145.10068	0.9
147.04347	1.5
149.13200	1.2
152.06200	5.2
153.06937	2.2
154.07730	4.3
155.05980	0.9
155.08524	2.0
156.05658	1.2
157.06476	5.9
157.10110	45.6
158.10426	0.9
159.07999	2.0
159.11728	0.9
161.05957	6.6
163.07481	0.7
165.05486	1.8
165.06960	3.4
165.48174	0.8
166.07678	1.0
167.04904	2.2
167.08545	22.7
167.56343	0.7
168.05635	3.2
168.09035	1.1
169.06473	7.1
169.10117	5.5
170.07231	2.8
171.04352	1.3
171.08028	13.9
173.05969	5.3
173.09554	1.2
174.06726	0.9
175.03903	1.2
175.07494	1.9
177.06941	0.8
179.08514	1.9
180.05663	1.0
181.06441	2.7
182.07260	1.4
183.08034	1.5
184.05190	20.1
184.08678	0.7
185.06009	10.5
185.09599	43.0
186.06697	2.9
186.10010	2.0
186.18513	3.4
187.07518	11.6
188.08273	1.8
189.05521	3.5
189.09023	2.5
191.07014	1.0
193.04942	1.5
195.08035	73.3
196.08333	2.1
197.06033	0.7
197.09592	11.1
198.06758	2.1
199.07550	4.6
200.08252	1.1
201.09084	28.2
202.09692	2.2
203.06946	0.7
203.10652	15.3
213.09077	100.0
214.09581	3.9
215.10654	7.4
217.05124	0.8
217.08556	12.9
221.06020	0.7
223.07533	1.9
231.10141	26.0
233.08244	1.6
235.06049	2.2
241.08566	34.2
242.09019	1.2
249.11182	1.0
259.09631	24.7
259.20535	1.3
277.05588	1.1
277.10693	40.0
277.21597	4.7
278.10913	1.0
278.23212	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	277.107
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
51.02373	1.0
52.41146	0.5
53.03934	0.8
53.83469	0.6
55.01873	4.7
55.05260	0.8
55.05506	12.2
57.03411	1.9
57.07054	1.1
60.94609	0.7
67.05482	2.3
69.03410	1.3
69.07039	2.2
71.04980	0.7
79.05487	4.1
81.07045	3.8
81.94802	0.6
83.04980	12.3
85.06523	2.4
88.07588	0.8
91.05466	5.7
93.07018	2.6
95.04939	1.7
95.08575	1.9
97.06516	2.1
102.04654	0.8
103.05447	4.5
105.03379	0.7
105.07030	7.0
107.04947	1.7
107.08607	1.0
109.10134	0.6
111.78349	0.7
115.05447	23.7
116.06236	0.6
117.07014	4.2
119.04858	1.5
119.08615	1.0
121.06506	0.8
121.10081	1.1
123.04413	12.6
128.06216	5.4
129.06995	9.1
130.04143	1.2
131.04906	7.9
131.08536	1.4
133.06476	7.6
133.10158	0.6
135.04385	2.9
137.02296	0.6
137.05978	3.8
139.03877	0.7
141.06995	3.3
142.07767	10.5
143.04906	45.7
143.08572	5.3
144.05634	2.3
145.06487	4.1
146.03568	0.6
147.04391	18.2
147.08034	0.8
147.11690	0.7
148.05162	4.7
149.05962	10.1
149.13316	0.7
151.03899	2.4
151.07509	1.2
152.06258	2.8
153.05453	0.8
153.06963	1.1
155.04855	1.1
155.06050	1.0
155.08510	0.9
156.05722	0.6
157.06491	5.2
157.10106	15.7
159.08092	0.7
160.05182	4.7
161.05963	99.3
162.06650	4.2
163.03876	3.4
163.07507	1.9
164.04694	2.3
165.05458	4.4
165.06966	1.8
167.03378	2.1
167.04636	0.7
167.08543	9.1
169.06473	1.9
169.10165	0.7
170.07263	4.2
171.04358	2.4
171.08000	4.7
173.05956	9.4
174.06738	6.1
175.03880	5.3
175.07538	9.4
176.04639	2.3
177.05467	6.7
179.03362	1.0
179.07072	3.2
181.05070	0.7
181.06487	0.9
183.07877	0.8
184.05164	1.3
185.05981	1.8
185.09601	28.8
186.18573	1.1
187.07521	5.0
188.08282	1.5
189.05447	29.6
189.09055	7.4
191.06834	1.1
193.04976	3.1
195.08044	9.3
197.09645	1.0
198.06783	2.0
199.07498	0.9
201.05467	1.4
201.09041	3.3
202.06239	1.9
202.09959	0.8
203.10648	100.0
204.11000	2.9
207.06502	4.6
209.04393	1.0
213.09087	12.3
214.09790	0.8
215.10703	1.2
217.04977	1.7
217.08612	2.7
221.11760	2.2
222.05042	0.7
231.10144	28.8
232.10466	0.8
235.05981	31.4
236.06313	0.7
241.08633	1.5
249.11206	3.2
259.09695	1.5
277.10690	28.6
277.21594	1.4
278.11026	0.7
278.23111	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	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03935	2.3
53.60997	0.7
55.01865	8.2
55.05507	21.7
57.03426	2.3
57.07066	4.6
64.60095	0.7
65.03921	2.0
67.05499	44.7
69.03405	1.6
69.07063	17.3
71.04993	4.0
71.08622	10.5
73.06551	0.9
77.03908	1.3
79.05486	53.7
80.42284	0.6
81.03418	6.2
81.07050	48.6
83.04979	5.7
83.08613	8.7
85.06524	3.7
91.05470	29.1
91.06053	0.9
93.07035	72.5
93.19683	0.8
94.07346	1.3
95.04961	16.2
95.08596	29.3
97.06519	6.8
97.10162	5.2
99.08083	7.8
103.05486	1.2
105.04501	2.3
105.07023	22.6
107.04950	5.6
107.08587	37.7
108.05717	1.2
109.06519	7.3
109.10146	15.0
111.08051	3.9
111.11683	1.0
117.07004	5.4
119.06083	0.8
119.08566	14.9
121.06509	2.9
121.10128	22.5
123.08074	3.6
123.11671	4.9
125.09601	2.4
129.07001	3.4
130.09119	0.8
131.08574	5.7
133.06471	1.0
133.10117	11.6
135.08032	2.0
135.11684	22.5
137.09618	2.7
137.13231	2.3
139.11195	2.2
141.12718	1.8
143.08554	3.3
145.10124	4.5
147.07974	1.4
147.11665	11.3
149.02307	2.4
149.09593	2.3
149.13239	16.4
151.11169	7.3
153.09164	1.1
153.12688	0.8
154.73441	0.7
157.10120	2.6
159.11699	3.4
161.09604	1.5
161.13239	9.3
163.11182	7.2
163.14803	6.3
165.12755	4.1
167.10756	0.9
171.11676	5.0
173.13234	2.3
175.11192	1.8
175.14793	3.3
177.12723	1.6
177.16350	1.1
178.07750	3.9
179.08554	0.8
179.14296	2.8
181.12212	2.1
185.13246	3.3
187.14818	1.1
189.12683	1.5
192.09340	2.2
193.10078	2.9
193.11978	0.7
193.15926	1.5
195.07974	1.8
199.14807	1.8
202.07777	0.9
203.08644	1.0
207.13800	2.5
208.33734	0.9
217.19398	1.6
221.09528	1.3
221.15344	3.4
231.17476	1.6
231.21069	3.4
235.07544	1.0
235.16885	2.6
241.19499	4.0
249.09177	4.2
249.12727	2.0
249.22198	1.7
250.09538	0.9
259.11047	0.8
259.20569	12.2
261.64026	0.8
262.09946	1.6
277.05560	1.2
277.08636	4.6
277.12219	21.6
277.21597	100.0
277.69614	0.8
278.12552	1.5
278.21982	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	277.2162
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.43982	1.3
53.03934	3.9
55.01870	2.7
55.05511	21.2
57.07069	2.8
61.02117	1.5
65.03921	2.5
67.05500	44.0
69.07068	13.9
70.60489	1.5
70.60801	2.0
71.04973	3.0
71.08628	23.7
74.36897	1.3
79.05485	67.4
81.03409	6.0
81.07052	56.9
81.32540	1.4
82.99902	1.4
83.04964	4.7
83.08622	9.8
83.91474	1.6
85.06524	2.6
91.05473	28.9
93.07040	100.0
95.04958	15.9
95.08602	30.6
97.06525	4.7
97.10195	1.9
98.37826	1.4
99.08095	17.6
105.04514	3.6
105.07021	24.4
107.04944	3.4
107.08585	54.5
109.06505	3.2
109.10133	11.4
111.08026	2.4
113.09640	1.6
117.07035	3.8
119.08578	13.6
121.09269	2.3
121.10133	39.0
123.08044	1.7
129.07010	2.6
131.08554	5.8
133.10124	9.4
133.19194	1.5
135.11682	55.1
136.12015	1.9
137.09575	3.0
137.13268	1.5
139.11189	2.4
141.09096	2.9
143.08554	2.9
145.10162	3.8
147.11678	6.0
149.09589	1.8
149.13235	17.1
151.11177	8.5
157.10143	1.8
159.11729	3.3
161.13235	10.8
163.11136	5.4
163.14793	2.3
167.00642	1.4
167.10640	1.7
175.14815	2.2
177.12753	2.8
179.14313	26.6
185.13170	3.5
195.13681	1.7
199.14905	1.4
207.13734	2.5
221.15366	5.1
235.16956	3.3
259.20535	6.0
277.14783	2.2
277.21616	79.3
277.54044	1.6
278.21820	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03938	2.8
55.01868	5.8
55.05509	19.6
57.03434	2.4
57.05782	1.2
57.07082	3.0
57.27178	1.1
67.05499	49.9
69.03442	1.6
69.07063	25.6
69.85869	1.2
71.04980	3.1
79.05489	48.7
81.03432	1.8
81.07051	58.0
83.04967	4.0
83.08625	11.1
85.06535	3.5
91.05482	25.2
93.07039	62.4
94.07368	1.3
95.04981	7.1
95.08601	35.6
97.06529	7.9
97.10169	3.3
98.22707	3.1
99.08085	2.9
105.04507	3.8
105.07018	18.0
107.08585	45.8
109.06537	7.7
109.10133	14.4
111.04446	3.8
111.08069	3.1
116.98606	1.3
117.07017	5.2
119.08575	14.2
121.10134	44.3
123.08084	5.1
123.11713	2.8
125.09610	3.6
129.06996	3.5
131.08582	7.7
133.10133	12.4
135.08113	1.5
135.11685	49.8
137.05951	22.3
137.09622	2.6
143.08545	3.9
145.10135	8.1
147.08035	2.3
147.11678	13.9
149.02347	2.8
149.13252	13.9
150.13635	1.3
151.07559	1.5
151.11130	2.8
152.42789	1.2
157.10069	3.2
159.11691	5.9
161.09613	2.8
161.13269	7.0
163.11218	5.6
163.14793	4.1
165.12770	4.4
167.10654	1.5
171.11694	3.0
173.13260	3.0
175.11121	1.4
175.14830	3.1
177.12741	2.9
181.12204	2.3
185.13272	3.3
195.13760	2.2
207.13832	3.8
213.16273	1.4
217.19478	1.7
221.15483	1.5
231.17499	2.7
231.20985	1.6
235.13354	3.2
235.16844	2.4
241.19432	5.8
259.20599	15.1
277.21613	100.0
278.22009	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	278.1021
Annotation	N-Hydroxyannomontine
Peak:m/z	Relative Intensity
50.16521	0.9
54.54668	0.9
55.01847	1.4
56.05037	7.6
57.07062	1.3
57.31786	1.0
57.68979	1.1
61.33393	1.0
65.03937	1.2
65.13537	0.9
69.52727	4.3
70.06573	3.7
70.81080	1.1
74.90860	1.0
81.03401	1.9
81.07054	1.5
86.09691	8.8
91.05465	4.3
93.03381	2.0
101.49895	1.1
102.34215	1.1
102.81258	1.0
103.05441	1.8
105.03381	3.3
105.07008	4.7
107.04930	1.3
115.05447	8.9
117.07011	17.7
117.43682	1.1
119.04911	1.1
120.08120	6.8
121.06470	2.7
126.01046	1.5
127.05416	2.6
128.06213	11.5
129.06975	9.4
131.04909	3.3
133.06461	2.6
133.10144	1.3
141.06900	1.4
143.04932	2.8
143.08562	5.5
144.05687	2.2
145.06473	36.7
147.04366	7.1
147.08032	1.4
149.02338	12.5
153.06985	1.3
155.04890	25.7
155.06026	5.3
156.05701	1.7
157.06488	8.5
159.04442	2.0
159.08023	3.0
161.05949	7.9
161.09625	1.9
163.03867	3.2
166.08667	1.0
171.04385	3.4
171.08002	5.2
172.05135	2.9
172.07544	3.0
173.05965	57.3
174.06473	1.6
175.03845	2.7
175.07532	2.9
177.05515	1.2
183.04384	30.3
184.05109	2.8
185.05959	4.7
187.03870	20.2
187.07489	8.9
189.05457	6.7
189.09038	2.1
190.06244	4.1
199.03899	6.3
199.07590	2.1
200.04495	1.5
200.07068	5.4
201.05431	58.1
202.06242	7.3
203.03354	2.2
205.04825	2.0
205.08537	8.9
207.02943	1.2
207.06471	3.9
211.03874	20.0
215.06998	15.5
217.04950	10.4
218.08092	1.3
219.06523	3.9
219.08853	2.8
221.04472	3.6
221.08060	1.5
222.06268	2.3
228.06499	12.5
229.04933	47.2
230.05193	1.1
232.09560	1.4
233.08060	22.3
243.06479	7.2
246.07588	15.7
247.06030	2.9
249.07532	6.4
250.05894	1.6
260.09262	1.7
261.07544	38.6
278.05273	2.5
278.10199	100.0
278.17499	3.6
279.06299	1.1
279.10623	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.9518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59742	1.2
56.96568	6.3
70.16879	2.1
87.92246	1.2
90.15293	1.1
98.97578	100.0
110.97568	21.9
112.40011	1.2
112.99097	1.1
116.98618	37.0
122.91221	1.2
128.98616	13.2
134.99666	5.6
136.81488	1.2
136.92960	1.7
136.94017	35.4
140.98709	1.5
143.00180	3.3
146.99661	5.8
149.02325	1.4
158.99643	39.2
161.01283	1.8
170.99634	9.2
177.00702	35.8
189.00719	15.8
195.01862	3.5
207.01773	7.7
219.01808	4.5
222.85286	1.3
237.02791	10.1
255.03822	8.8
279.03836	6.7
297.04855	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	279.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77297	6.1
56.96575	6.3
68.96583	5.8
69.94115	17.2
74.45742	5.4
98.97581	100.0
110.97559	18.1
111.01969	5.5
116.98637	37.6
128.98576	14.8
134.99651	7.8
136.94017	22.4
146.99644	9.1
158.99603	35.7
177.00694	42.4
189.00687	13.9
207.01743	6.5
219.01804	11.7
236.32211	5.7
237.02777	14.3
255.03885	11.6
261.89215	6.4
279.04782	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57906	0.5
57.07068	2.3
60.97704	0.5
67.22585	0.5
67.65261	0.5
69.22939	3.2
72.43050	0.6
75.04465	0.9
86.09699	2.3
93.07056	0.8
119.67965	0.5
120.08130	0.9
121.02898	0.9
149.02336	18.9
188.90881	0.6
190.07732	0.6
202.05827	1.0
205.04712	100.0
206.05035	2.4
212.04442	0.7
233.09605	1.1
236.62372	0.6
261.09164	1.8
279.06494	2.2
279.10608	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1014
Annotation	DIHYDRO TANSHINONE
Peak:m/z	Relative Intensity
69.33733	0.6
69.89715	1.2
82.25130	0.7
86.45846	0.6
87.43659	0.6
98.22757	0.9
107.08614	0.7
132.29854	0.7
149.02362	0.8
152.06454	0.6
165.07010	1.1
169.06462	1.4
178.07724	0.6
179.08591	3.9
189.06984	7.5
190.07751	42.6
191.08311	1.0
202.07802	1.3
203.08470	4.8
204.09291	2.8
205.10098	43.1
206.10439	1.8
209.09407	1.2
214.07777	0.7
215.08572	3.4
218.07254	9.3
232.08771	1.2
233.09581	67.5
234.09912	2.6
246.06781	2.9
261.09082	100.0
262.09402	4.3
279.10144	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	279.1014
Annotation	DIHYDRO TANSHINONE
Peak:m/z	Relative Intensity
54.33601	0.4
61.47408	0.4
67.03157	0.4
69.90154	1.2
92.91857	0.4
115.05470	0.5
119.01279	0.5
141.06985	3.8
153.06964	0.5
155.08522	1.7
159.08025	1.5
165.06978	3.2
166.07779	3.7
167.08562	0.8
169.06442	20.4
169.07597	1.9
170.06847	0.5
177.51511	0.4
179.08595	2.7
180.09247	0.9
181.10104	4.3
189.06970	5.6
190.07753	34.2
191.08318	1.9
192.09267	1.0
194.07196	0.6
195.08003	0.7
195.11659	1.2
202.07758	2.4
203.08527	3.4
204.09344	2.9
205.10103	53.6
206.10449	2.2
208.08852	1.1
209.09584	9.2
215.08537	5.0
218.07234	13.4
219.07980	0.9
223.07561	3.3
223.11171	1.1
232.08847	1.2
233.09584	68.1
234.09912	2.9
236.08115	0.5
237.09061	5.9
238.09598	0.5
243.09288	0.5
245.05905	0.8
246.06754	4.3
251.06978	3.0
251.10629	3.5
261.09085	60.1
262.09366	3.7
264.07773	2.0
270.76056	0.4
279.10123	100.0
280.10458	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	279.1016
Annotation	DIHYDRO TANSHINONE
Peak:m/z	Relative Intensity
53.75942	0.5
69.69436	1.1
69.69819	1.2
75.58775	0.5
92.84830	0.5
141.06984	1.6
149.02287	0.7
153.06964	1.2
165.06967	3.1
166.07774	1.8
169.06462	6.5
169.07619	1.2
178.07806	1.3
179.08565	3.9
180.09239	1.1
181.10066	1.1
189.06967	9.8
190.07755	46.6
191.08296	2.3
195.11681	0.8
202.07750	2.9
203.08553	5.3
204.09302	3.1
205.10100	64.5
206.10428	2.8
208.08751	0.9
209.09636	4.6
215.08498	4.3
218.07233	15.4
219.07864	1.8
223.07359	0.9
232.08849	2.1
233.09581	100.0
234.09924	3.5
236.08284	1.0
237.09035	1.2
243.09093	0.6
245.05962	1.4
246.06743	5.7
251.10631	2.4
261.09082	78.9
262.09439	3.5
279.10126	27.1
280.10349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1226
Annotation	11-Hydroxy-12-methoxydihydrokavain
Peak:m/z	Relative Intensity
51.02371	1.5
54.49323	0.8
57.03410	1.2
57.07068	8.7
69.03422	31.1
71.05000	1.6
77.03920	1.8
79.05467	1.8
85.02892	6.0
91.05469	16.8
93.07035	52.8
95.04955	9.2
95.08607	1.5
98.97517	1.1
99.04449	1.4
103.05458	18.9
105.04508	2.8
105.07025	5.1
107.04963	3.2
111.04433	17.3
114.72050	1.0
115.05412	2.6
117.03368	1.6
117.07008	3.2
119.04937	6.1
120.05729	1.7
121.02870	4.7
121.06493	80.1
122.06827	1.4
123.04469	1.3
128.98668	1.1
129.06970	2.5
131.03955	2.4
131.04910	34.3
133.06485	2.6
135.04433	1.7
135.08046	17.0
136.05092	1.6
137.05960	5.7
138.06772	3.4
139.07513	1.6
141.07010	1.1
143.04889	1.2
145.02841	2.1
145.06459	3.2
147.04393	11.6
149.02327	72.4
149.05965	35.5
151.07526	17.6
157.06500	3.6
160.05112	2.0
161.05957	2.3
163.03891	5.8
163.07521	71.0
164.08064	1.3
165.09100	3.8
167.03369	1.4
167.06973	1.1
173.06024	1.2
173.09595	1.8
174.06735	2.0
175.07526	6.3
177.05476	4.0
177.09067	1.3
179.07048	7.3
181.08578	100.0
182.08957	2.7
183.08060	2.0
185.06006	2.0
186.06645	1.2
187.07501	1.3
189.09113	3.8
190.06290	2.0
193.08589	2.1
201.09116	2.0
203.07025	6.3
205.06665	2.4
205.08597	4.9
215.10754	1.9
217.08560	2.8
219.10071	1.2
221.08073	4.2
233.11749	1.9
243.10162	3.1
261.11194	18.4
279.03842	1.5
279.06384	5.0
279.09430	2.3
279.12399	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	279.1225
Annotation	Marasmone
Peak:m/z	Relative Intensity
55.01851	5.0
55.05499	5.2
57.03415	2.8
57.07064	14.0
65.03932	3.3
67.01856	18.9
67.05497	45.1
69.03419	4.1
69.07072	8.6
79.05486	9.8
81.03402	2.8
81.07053	20.5
83.01332	2.0
85.02889	7.3
85.06537	4.8
91.05451	11.2
93.07037	11.4
95.01320	26.4
95.04948	6.6
95.08606	11.6
97.02859	4.3
103.05416	2.0
105.04505	2.0
105.07013	14.9
107.04938	4.8
107.08572	14.0
109.02916	1.8
109.06526	3.1
109.10144	69.4
111.04436	1.7
113.02359	10.0
115.05412	2.1
117.06994	9.5
119.08578	7.9
121.02824	6.3
121.03901	2.0
121.06487	7.4
121.10091	3.3
123.00777	21.4
123.04414	4.2
123.08057	2.6
128.06203	4.2
129.07030	8.6
130.07782	3.3
131.04927	6.2
131.08559	13.5
133.06453	5.0
135.04427	11.2
135.08063	2.9
137.02357	2.1
137.05983	1.8
137.08585	3.7
137.09605	57.3
137.10657	3.3
140.10883	1.6
141.06931	8.0
142.07780	3.2
143.08534	11.8
144.09319	3.6
145.06458	14.3
145.10123	7.6
147.04393	4.6
147.08008	4.1
149.02327	96.1
149.05927	9.7
149.09615	5.6
151.03900	5.2
153.06999	3.0
154.07771	12.4
155.08577	2.4
156.09384	4.2
157.06497	2.6
157.10109	2.2
158.07254	2.8
159.04387	5.9
159.08009	9.4
159.11659	17.2
161.05975	15.8
161.13374	1.8
163.03879	12.2
165.05583	2.0
165.07036	3.0
169.06454	4.3
169.10100	17.6
171.08002	2.8
171.11676	4.1
172.08833	7.9
173.05997	11.2
173.09583	7.1
177.05435	16.1
177.06961	4.0
179.03355	4.2
179.08554	3.4
181.06412	2.1
182.07283	5.2
184.08812	2.6
185.05905	2.0
187.07512	9.3
187.11154	36.4
187.12682	3.2
189.05467	2.4
189.07045	2.5
189.12727	12.1
190.07690	3.6
191.03349	20.2
191.10678	4.6
193.04959	7.0
197.04465	3.5
197.09595	21.2
199.11197	7.5
200.08284	6.5
201.05434	2.2
201.09009	2.3
203.06975	1.9
205.04929	31.9
205.06567	5.7
205.08220	2.2
205.10110	6.2
205.12234	11.8
209.04474	3.0
215.10654	85.6
216.11049	3.0
217.12177	4.7
218.07256	3.9
219.05806	2.7
219.10170	3.0
223.07484	6.2
225.09111	5.2
227.11818	4.0
233.05934	7.0
233.09569	7.7
233.11636	32.4
243.10144	84.1
244.10522	4.0
251.06873	7.6
251.12784	5.1
261.09137	7.9
261.11243	100.0
262.11502	3.1
279.06619	41.6
279.09875	8.2
279.12335	55.7
280.06808	2.5
280.12784	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1378
Annotation	amprolium
Peak:m/z	Relative Intensity
52.09055	0.3
57.07100	1.1
66.35086	0.3
66.86801	0.3
69.19563	1.3
69.19958	0.6
72.69785	0.3
79.05486	0.7
79.45737	0.4
87.76930	0.3
141.07036	0.6
149.02316	7.8
153.07101	0.4
165.01660	0.3
165.06946	1.6
166.07787	0.7
167.08597	1.1
169.10146	0.8
178.07846	1.3
179.08548	2.0
181.06503	1.1
181.10133	1.2
189.07007	0.5
190.07703	1.9
191.08530	2.4
192.09360	1.0
193.10121	2.0
193.76863	0.3
194.07190	1.9
194.10982	0.5
195.08020	2.1
195.11723	0.4
196.08871	1.2
200.08385	1.8
202.07777	1.4
203.08533	7.1
203.10437	0.4
204.09319	5.5
205.06598	1.0
205.10098	9.6
206.10779	1.0
207.08040	1.8
207.11626	0.8
208.08815	1.2
209.09651	2.0
210.10303	0.5
215.08490	1.6
217.10184	1.3
218.07265	1.2
218.10907	4.3
219.08130	1.6
219.11693	1.1
220.08846	1.8
221.09564	3.6
222.06717	1.0
222.10374	1.5
223.07556	1.3
223.11067	0.5
227.08609	0.5
228.09357	0.8
229.09940	0.5
231.08069	2.8
232.08791	8.5
233.09615	7.3
233.13196	9.1
234.10001	0.6
234.13748	0.7
235.07507	3.1
235.11134	3.5
235.14868	0.9
236.08275	2.2
236.11914	2.2
237.09125	2.4
237.12688	7.9
238.09845	3.4
242.47520	0.3
243.11588	1.0
245.09537	0.9
246.10385	3.2
247.11102	0.8
248.11763	0.4
249.09073	4.7
249.12727	0.5
250.09851	12.7
251.10643	30.6
251.14224	2.9
252.11069	1.5
261.12729	18.8
262.13303	1.2
263.10623	1.9
264.11426	51.5
265.11810	2.5
278.12814	0.7
279.13751	100.0
280.14124	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	279.1378
Annotation	amprolium
Peak:m/z	Relative Intensity
50.16864	0.7
54.75470	0.6
57.07073	5.0
57.09429	0.7
61.37937	0.7
67.05149	0.7
71.42301	0.7
76.36050	0.7
79.05502	0.8
108.25879	0.9
121.02863	1.1
141.07005	1.2
141.13661	0.7
149.02327	40.8
153.06946	1.5
155.08522	1.0
158.97922	0.8
165.06976	6.9
166.07761	3.5
167.08563	3.5
169.06474	1.2
177.00558	0.8
177.07103	0.9
178.07765	1.9
179.08530	4.1
180.09322	1.6
181.06476	2.0
181.10060	3.4
183.08047	1.0
189.07022	1.6
190.07777	8.3
191.08551	4.1
192.09317	1.9
193.10101	4.4
194.07285	1.7
195.08014	3.6
195.11606	1.2
196.08920	0.9
200.08366	2.1
202.07851	1.9
203.08530	9.1
204.09370	7.5
205.06519	1.2
205.10101	17.6
207.08049	2.6
207.11632	1.4
208.08827	1.8
209.05966	0.8
209.09584	6.3
215.08580	2.3
217.10265	0.7
218.07295	2.6
218.10878	4.2
219.05940	1.5
219.08063	3.6
219.11613	1.2
220.08820	3.3
220.12366	1.1
221.09566	4.6
222.06769	2.2
222.10461	2.1
223.07593	3.5
223.11185	2.8
228.09312	1.5
231.08046	2.0
232.08823	10.1
233.09634	16.7
233.13197	12.2
235.07535	5.5
235.11180	3.4
236.08244	5.2
236.11955	2.8
237.09096	7.5
237.12680	9.9
238.09860	5.0
243.11772	1.5
246.10376	3.1
249.09062	5.7
249.12953	1.1
250.09891	16.3
251.10655	44.4
251.14340	4.8
252.10973	0.9
261.09155	9.7
261.12744	22.7
262.13165	1.5
263.10654	2.2
264.11435	65.1
265.11755	2.9
278.13147	0.9
279.10168	18.2
279.13791	100.0
280.11023	1.1
280.13943	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	279.1379
Annotation	amprolium
Peak:m/z	Relative Intensity
55.01879	0.3
57.07067	1.6
67.05492	0.5
69.03413	1.1
70.43983	0.3
71.29206	0.3
79.05473	0.5
81.07031	1.2
87.53434	0.3
93.99827	0.3
95.06666	0.2
106.23916	0.3
121.02882	0.6
141.07007	0.5
143.08528	0.3
149.02324	8.6
152.06213	0.5
153.06976	1.2
155.08493	0.6
165.06982	3.3
166.07790	2.0
167.08563	1.7
169.06589	0.4
169.10129	0.6
178.07751	2.0
179.08543	3.5
180.09370	1.7
181.06476	0.7
181.10112	4.1
182.10712	0.3
182.74644	0.3
183.08073	0.4
183.11745	0.5
189.06934	0.6
190.07715	1.7
191.08549	2.0
191.65523	0.3
192.09286	1.0
193.08463	0.5
193.10129	8.7
194.07278	1.7
194.10858	2.3
195.08031	3.8
195.11658	0.7
196.08609	0.3
198.06834	0.7
202.07739	0.6
203.08551	4.1
204.09328	1.1
205.06485	0.4
205.10107	2.2
206.07268	0.3
206.10756	0.4
207.08011	2.0
207.11732	1.1
208.08824	3.1
208.12410	2.8
209.05954	0.9
209.09593	5.5
209.13112	0.8
210.10312	1.0
211.07544	1.1
216.09319	0.4
217.10159	1.1
218.10876	4.1
219.05927	0.5
219.08023	2.4
219.11676	0.8
220.08810	0.6
221.06165	0.5
221.09572	7.2
222.06760	0.9
222.10333	2.7
223.07553	2.7
223.11180	1.4
223.14685	2.1
224.08269	3.1
231.08006	1.8
232.08806	0.5
233.09604	2.7
233.13219	4.5
234.06702	0.6
234.10175	0.4
235.07523	4.3
235.11148	3.0
236.08331	6.3
236.11942	5.7
237.09077	6.2
237.12575	1.3
238.09843	2.1
243.11778	0.3
245.09666	1.4
246.10345	3.9
247.11061	1.1
248.08307	0.3
249.09091	11.3
250.09845	6.5
251.10597	2.3
251.14284	7.6
252.14656	0.6
261.09180	1.4
261.12744	3.9
262.09491	0.3
263.10678	1.8
264.11447	24.1
265.11786	0.8
278.13022	0.5
279.13766	100.0
280.14099	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	279.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.07073	1.3
65.03939	0.3
67.05505	0.3
69.03416	0.3
69.91547	0.9
79.05468	0.6
81.07050	0.9
88.37044	0.3
98.22815	0.4
105.00532	0.3
116.80006	0.2
121.02809	0.6
141.06975	0.6
149.02330	9.4
153.07021	1.2
155.08525	0.6
165.06967	2.9
166.07782	2.3
167.08569	1.6
169.06477	0.4
169.10132	0.5
178.07777	1.4
179.08546	3.1
180.09348	1.1
181.06487	0.9
181.10115	3.3
183.08095	0.6
183.11568	0.6
189.06979	0.6
190.07788	2.2
191.08537	2.0
192.09315	0.7
193.10112	7.3
194.07271	1.2
194.10884	2.1
195.08035	3.7
195.11687	0.9
197.09639	0.4
198.06740	1.1
202.07794	0.6
203.08533	3.6
204.09271	1.4
205.06448	0.3
205.10101	2.8
206.07184	0.7
206.10786	0.4
207.08040	2.0
207.11638	0.9
208.08842	2.4
208.12439	2.7
209.05975	0.7
209.09592	4.7
209.13092	1.0
210.10318	0.7
211.07487	0.8
216.09383	0.3
217.10112	1.1
218.07256	0.7
218.10869	3.5
219.06062	0.3
219.07980	1.5
219.11598	0.8
220.08800	0.8
221.05968	1.2
221.09581	6.2
222.06772	0.8
222.10286	2.2
223.07524	3.7
223.11131	1.2
223.14816	2.8
224.08318	2.5
231.08002	1.5
232.08743	0.8
233.09631	3.7
233.13216	4.3
234.06822	0.3
234.10220	0.4
235.07520	3.9
235.11125	2.0
236.08296	6.0
236.11890	4.8
237.09067	6.8
237.12697	0.9
238.09828	1.9
243.11829	0.3
245.09605	1.2
246.10341	3.3
247.11044	1.1
248.08379	0.3
249.09084	9.3
250.09854	7.3
251.07033	0.5
251.10632	2.6
251.14308	7.7
252.14555	0.4
261.09073	2.8
261.12711	3.1
263.10703	1.8
264.11441	20.9
265.11780	1.0
278.13049	0.6
279.13760	100.0
280.14151	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	279.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01884	0.9
55.05504	11.6
56.69584	0.9
57.07063	4.8
65.03931	2.0
67.05497	100.0
69.07056	12.3
69.17387	6.9
71.04980	2.4
79.05491	14.5
81.07047	94.5
83.04985	1.9
83.08605	6.2
85.06545	5.6
91.05465	9.8
93.07037	16.0
95.08595	81.7
97.06503	3.1
97.10136	2.7
105.06344	1.7
105.07013	19.6
107.08588	11.8
109.10142	44.8
109.10889	2.4
111.08038	1.6
117.07001	8.2
119.08572	16.4
121.02832	1.3
121.10133	9.1
123.08009	1.5
123.11696	21.5
125.09656	1.1
131.08562	8.8
133.10091	7.5
135.11678	5.0
137.09607	2.4
137.13211	8.5
145.10109	14.4
147.11671	3.0
149.02324	13.3
149.09590	1.5
149.13205	3.3
151.14761	3.9
159.11681	24.3
161.13232	16.9
163.11180	3.1
163.14787	1.8
165.12766	1.4
173.13211	5.7
175.14864	1.5
177.12724	2.7
181.12210	1.9
187.14752	2.8
195.13737	2.1
201.16365	13.2
209.15352	1.2
219.05611	2.5
219.17442	3.9
223.16936	2.4
243.21088	2.5
246.24319	1.0
252.43498	1.0
261.22134	4.2
279.09399	2.7
279.19583	3.5
279.23129	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	279.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	12.6
56.96552	6.2
57.07079	22.6
57.07325	3.8
57.96011	3.5
64.11590	4.1
67.05492	15.2
69.03437	4.6
69.07066	23.6
69.07372	12.7
69.07775	11.2
71.08613	8.4
79.05488	12.7
81.07047	43.4
83.08607	6.9
85.06542	22.5
85.06974	4.1
86.09710	8.7
91.05477	21.2
93.07035	20.8
95.04953	3.9
95.08600	30.9
97.06528	5.1
99.08090	5.9
104.99297	4.1
105.07028	52.4
107.08574	16.6
109.10168	17.8
117.07001	22.5
119.08568	46.5
121.02867	4.2
121.06493	5.3
121.10141	15.0
123.11683	6.8
124.99966	5.8
125.73847	3.9
131.08560	23.1
133.10080	21.4
135.07997	4.9
135.11662	6.5
136.75604	3.3
138.52963	6.1
144.09271	4.5
145.10117	38.3
147.11674	7.6
149.02322	100.0
149.13324	4.2
157.53757	4.9
159.11679	72.6
161.13237	57.8
163.11131	4.6
167.03273	3.5
173.13202	5.5
175.14789	6.1
177.12698	5.0
181.15901	6.1
184.07376	5.3
201.04672	3.5
201.16362	35.5
205.10051	4.7
219.05637	20.9
219.17422	12.4
233.09535	7.0
240.09946	7.6
261.09109	6.7
261.18289	3.7
263.53638	3.7
279.09424	28.1
279.19852	6.1
279.23099	9.0
279.27893	8.5
284.13748	4.0
303.37155	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	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.26666	0.6
53.03934	1.1
53.43359	0.6
55.04909	0.6
55.05247	1.2
55.05502	10.9
56.04632	0.7
57.03430	0.7
57.07071	3.2
65.03936	3.3
66.04704	0.7
67.05499	100.0
68.05822	0.9
69.07061	10.0
69.35226	1.8
69.35632	1.2
71.04984	1.6
79.05479	15.7
81.07049	96.6
81.74143	0.7
82.07382	1.9
83.04996	1.2
83.08603	5.2
85.06543	3.5
91.05466	7.5
93.07037	14.5
95.04961	1.7
95.08598	77.4
96.08939	0.9
97.06523	1.3
97.10155	3.2
99.08096	1.5
105.07020	9.7
107.08583	9.0
109.06497	1.0
109.10144	40.1
111.08069	1.0
113.06001	1.0
117.06995	5.0
119.08575	9.4
121.06476	0.7
121.10125	7.4
123.08067	0.8
123.11697	22.8
127.90060	0.6
130.07730	0.6
131.08533	5.1
133.10136	4.5
135.08096	0.7
135.11681	3.9
137.09619	1.7
137.13228	7.8
145.10118	6.8
147.11665	2.6
149.02328	8.1
149.09616	1.7
149.13252	2.8
151.14809	3.1
159.11679	10.8
161.13260	7.9
163.11182	2.1
163.14825	1.2
167.10736	0.9
173.13222	3.6
175.14723	1.1
177.12782	1.8
177.16476	0.9
181.12247	1.9
187.14807	1.6
191.14363	0.8
195.13802	1.5
201.04341	0.8
201.16365	7.0
209.15356	2.7
219.05750	1.0
219.17473	1.9
219.21092	1.0
223.16875	1.9
233.09550	0.8
237.18394	1.3
243.21037	2.3
249.55118	0.7
261.22107	3.5
279.09283	3.0
279.19675	2.5
279.23141	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	280.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35976	0.9
54.83466	0.6
57.42721	0.8
58.92403	0.7
59.91644	0.6
60.08127	3.3
60.15366	0.7
62.97110	0.7
71.07345	2.4
86.09213	1.3
86.09703	22.1
94.70863	0.9
99.83230	0.7
104.10735	84.0
105.11082	1.2
116.97122	1.0
146.46718	0.9
170.07805	0.8
176.99240	1.0
178.21329	0.7
221.01837	100.0
280.09201	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	280.1094
Annotation	Penipanoid B
Peak:m/z	Relative Intensity
62.35690	0.2
65.44689	0.2
72.93147	0.2
114.46186	0.3
118.03288	0.2
118.51524	0.3
118.52361	0.3
130.46255	0.2
141.06952	0.3
152.06067	0.2
153.06882	0.2
155.04916	0.5
165.06967	1.5
166.07736	2.2
167.08537	0.9
169.06438	0.4
178.07750	0.5
179.08475	0.4
180.09291	0.4
181.10109	3.1
183.91945	0.2
184.32692	0.2
189.06932	0.9
190.07765	2.3
191.08517	12.9
192.09106	1.0
194.07246	0.7
195.07996	1.1
195.11696	0.7
196.12384	0.4
202.07700	0.4
203.08495	0.3
205.10110	3.7
206.10722	3.3
207.08096	0.7
207.11554	0.7
208.08768	0.6
209.09608	4.8
217.10007	0.3
218.07285	0.8
219.08005	13.3
220.08685	0.9
222.06760	1.5
223.07521	1.8
223.11008	1.2
224.11864	1.0
225.05464	0.9
233.09575	3.7
234.10252	8.6
235.07481	0.3
235.11150	1.4
236.08206	0.5
237.09076	11.2
238.06184	0.4
238.09387	0.3
239.06912	0.4
245.09573	0.5
247.07512	8.4
248.08003	0.5
250.06163	0.8
251.07002	4.8
251.10623	1.7
252.07674	0.8
252.11398	2.0
253.08580	0.4
261.09119	1.8
262.09753	12.9
263.10577	2.3
265.08563	49.4
266.08868	1.7
279.10114	2.4
280.10895	100.0
281.11279	4.2
281.14432	0.4
281.15451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43238	14.5
56.24952	14.4
64.62921	17.5
70.79531	36.0
87.65249	14.4
98.97592	71.5
116.98617	45.5
120.48220	16.6
194.44856	19.8
207.00545	62.2
242.01060	17.9
250.79610	15.2
257.03296	49.8
275.04428	26.5
277.00714	24.1
281.14798	100.0
299.06317	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	281.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88422	17.3
66.09437	18.4
69.24265	100.0
78.23112	18.0
81.07044	19.6
136.06151	20.1
137.02335	49.3
186.29555	19.6
197.06033	18.9
203.53787	18.1
224.98579	49.4
235.09612	20.2
236.07341	20.4
242.99533	27.5
255.21588	20.5
265.98615	26.4
281.01404	19.8
281.04239	43.8
283.99677	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0808
Annotation	Neodunol
Peak:m/z	Relative Intensity
55.01868	1.2
62.87136	0.2
69.03427	1.2
69.85744	0.2
71.42552	0.3
80.54128	0.2
82.60909	0.2
98.97552	0.6
106.77707	0.2
113.16119	0.2
114.88972	0.2
115.05433	0.7
116.98604	0.4
124.27789	0.3
128.06189	0.6
129.06969	0.8
139.05388	0.3
141.06972	4.0
143.04901	0.3
145.06418	0.5
152.06201	0.9
153.06976	3.3
154.07767	2.8
155.04880	1.4
155.05965	0.4
155.08536	4.6
159.04456	0.3
165.06987	8.7
166.07759	4.3
167.08528	1.3
168.05714	1.0
169.06468	1.8
169.10094	0.9
173.05937	0.5
176.06152	0.3
176.11131	0.2
178.07761	12.3
179.08539	14.2
180.09305	2.7
181.06476	1.8
181.10097	4.3
182.07265	3.5
183.08035	5.3
189.06982	0.8
190.07729	1.0
191.08517	2.0
192.09348	2.0
193.06465	1.0
193.10098	0.5
194.07294	1.5
195.04451	0.5
195.08002	0.7
196.08836	0.3
197.05945	2.0
197.09586	6.6
202.07797	1.3
204.09377	0.3
207.08008	2.8
207.11696	1.0
208.08855	1.2
209.05963	0.9
209.09622	1.6
210.06711	2.1
211.07518	11.0
212.08067	0.3
217.10121	1.0
219.08041	2.0
220.08755	1.0
221.05997	1.9
221.09538	0.9
222.06761	3.4
223.03857	0.8
223.07314	0.4
225.09053	1.5
225.12662	0.4
231.38039	0.2
235.07516	30.3
235.10968	3.2
236.08272	6.5
236.10887	0.4
236.11685	0.3
237.05373	0.7
237.09068	9.0
237.12698	0.4
238.06226	29.5
239.06998	76.8
240.07339	2.6
245.09418	0.4
248.08238	0.7
249.09026	0.3
252.08014	0.2
253.08571	27.4
254.08951	1.0
258.99637	0.5
263.07071	0.8
263.10620	4.9
264.11469	2.2
277.00775	0.5
281.08060	100.0
282.08441	3.7
282.12170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0994
Annotation	Met Met
Peak:m/z	Relative Intensity
55.01867	1.0
59.04991	2.4
59.35667	0.9
67.64166	1.0
69.03429	1.6
71.41719	1.0
81.07043	2.0
86.09672	1.6
89.06033	1.5
91.05473	1.4
95.04947	1.6
119.08568	1.3
120.08017	1.2
136.07573	17.8
140.15486	1.2
141.69164	1.0
161.05879	1.2
263.09241	3.2
281.04636	2.9
281.09933	100.0
282.10278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29603	0.2
54.03459	0.2
55.01897	0.2
68.05018	0.3
69.15028	0.2
69.15442	0.5
70.02932	0.3
71.65552	0.1
72.04514	0.3
74.02441	3.5
79.05481	0.3
81.07058	0.3
82.02927	0.2
85.89300	0.1
88.04002	0.3
91.05473	0.7
93.05777	2.1
95.04946	0.2
100.03968	0.4
104.04977	0.3
109.06508	1.0
118.05019	0.5
121.05238	0.6
121.06476	1.2
124.07598	0.2
135.78572	0.2
136.07568	100.0
137.07909	2.3
138.09135	0.5
139.07530	0.3
146.04489	0.4
146.05998	0.4
147.06631	0.2
148.07579	0.5
160.07610	0.2
162.05551	0.3
162.09152	0.6
164.07077	2.4
172.07570	0.4
176.07066	0.3
184.06252	0.3
189.10263	0.9
190.08630	1.0
192.06580	1.2
199.08604	1.2
200.07019	0.7
201.10216	0.3
217.09709	1.7
218.08177	0.2
235.10823	0.6
245.09145	0.5
253.12395	0.2
263.10263	5.4
264.08621	2.0
281.04437	0.4
281.11346	0.8
295.40964	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	281.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
69.48060	6.7
70.22549	1.5
98.22754	3.7
98.97595	1.9
105.57436	1.7
126.08388	1.7
139.37750	1.7
141.06969	4.7
148.76074	1.5
153.06985	4.4
154.07735	2.8
155.04889	2.8
155.08578	5.7
165.06998	8.9
166.07736	5.5
167.08531	2.0
169.06500	2.0
178.07787	12.3
179.08545	17.4
180.09306	2.4
181.10083	4.3
182.07300	2.3
183.07976	4.2
190.07727	2.8
191.08539	11.6
192.09332	38.5
193.10081	7.0
194.07271	5.0
197.05946	2.8
197.09659	4.2
202.07747	25.2
202.09402	2.8
203.08475	3.0
205.06477	2.8
206.07178	1.9
207.08061	5.1
207.11685	14.9
210.06764	2.9
211.07489	11.4
213.11433	1.5
215.08534	2.8
216.09401	3.8
217.10104	23.1
218.10606	2.5
219.08130	7.6
220.08826	21.6
221.06021	3.5
221.09541	6.3
222.06679	4.3
235.07535	26.9
235.11142	41.6
236.08313	8.0
236.11522	2.1
237.09094	9.2
238.06247	31.8
239.06999	76.2
245.09613	6.6
246.10437	2.3
248.08298	15.3
249.08974	3.0
253.08603	25.2
263.10654	92.8
264.11334	16.0
265.23230	1.7
281.08069	100.0
282.08325	4.5
282.12439	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	281.117
Annotation	Galanganal
Peak:m/z	Relative Intensity
55.05502	0.2
69.81394	0.5
73.23386	0.2
103.71384	0.2
115.05444	0.2
121.02869	0.4
141.06966	0.5
142.07742	0.5
152.06226	0.3
153.06993	0.2
155.08568	0.4
157.21698	0.1
164.06213	0.2
165.06953	1.2
166.07712	0.4
167.08530	0.5
169.06445	2.1
169.07664	0.4
176.06236	0.3
178.07758	2.6
179.08533	3.5
189.06856	0.8
190.07791	1.2
191.08528	5.6
192.09320	34.2
193.10054	3.9
194.07317	0.3
194.10403	0.2
195.08107	0.4
197.05838	0.2
201.07076	0.3
202.07761	11.8
203.08478	1.6
204.09323	0.7
205.06454	1.6
205.10114	0.6
206.07230	1.4
206.10899	0.6
207.08089	4.3
207.11668	16.8
208.08731	0.2
208.12067	0.9
215.08583	0.5
216.09302	0.8
217.10109	8.2
218.07265	1.0
218.10579	0.6
219.08029	4.3
219.11467	0.2
220.08812	18.4
221.05968	0.5
221.09544	3.3
222.06763	0.4
222.09898	0.3
233.09631	0.7
234.10382	0.4
235.11154	100.0
236.11481	4.7
245.09677	0.8
248.08351	1.7
263.10654	43.7
264.11026	1.5
281.11691	8.0
282.12024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40755	1.9
55.05495	1.9
56.96553	2.4
58.85241	1.6
67.05492	4.2
70.42350	4.1
81.07007	1.9
95.04977	2.7
95.08579	2.3
98.22628	2.1
98.97569	11.3
104.99277	3.8
105.07030	1.8
109.10167	1.8
116.98579	6.9
134.99657	4.7
138.23486	1.8
141.06981	2.1
152.06190	3.7
153.07022	5.3
154.07880	2.4
155.08556	27.1
165.06981	23.3
166.07762	10.8
167.08553	14.8
168.09190	2.0
169.06447	5.6
169.10149	3.1
178.07782	10.0
179.08533	49.1
180.09332	14.1
181.06444	4.9
181.10136	11.1
182.07178	2.1
183.08055	4.8
189.06903	9.7
190.07745	5.8
191.08586	10.1
192.09447	8.9
193.10040	8.1
194.07289	4.4
194.10880	19.8
195.08043	9.5
196.08806	2.2
197.09514	3.3
199.14772	5.2
202.07697	8.6
203.08545	30.9
204.09344	39.0
205.06641	1.9
205.09802	2.7
207.08101	10.4
207.11749	5.1
208.08823	20.3
209.09610	21.2
209.13211	14.3
217.10025	2.4
219.08125	2.7
219.11664	45.8
220.08792	2.5
221.09566	5.3
222.10391	19.0
235.07582	4.3
235.11179	10.8
237.12726	100.0
238.09973	2.6
238.13094	2.5
239.06982	5.8
253.08548	5.1
253.11848	2.6
258.99741	4.1
263.10565	11.8
277.00827	8.4
281.08047	18.1
281.11658	12.1
281.14960	12.4
281.18472	3.1
299.06311	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1172
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
55.05447	0.5
62.95599	0.3
67.05442	0.4
69.03357	0.7
69.71275	0.8
76.22544	0.4
79.05431	0.8
81.06975	0.6
95.08511	0.5
98.97499	0.5
105.06912	0.4
109.06417	0.5
111.04359	0.5
115.05392	0.4
117.06860	0.3
121.02766	0.6
129.06946	0.4
130.05473	0.4
133.10100	0.4
141.06889	0.6
143.08463	1.0
149.02238	0.4
150.02783	0.4
152.06175	0.6
153.06909	0.8
155.08495	2.3
165.05656	0.6
165.06964	5.0
166.07671	1.6
167.08554	3.3
168.05699	0.4
168.09216	0.4
169.06418	0.8
169.10013	1.1
171.07898	0.5
177.06911	0.8
178.07761	2.4
179.07185	0.4
179.08554	5.6
180.09232	1.5
181.06398	1.4
181.09981	1.1
182.10815	1.0
183.06557	0.5
183.08044	5.7
183.11583	1.1
184.08522	0.6
189.12579	0.4
191.08501	3.1
192.09305	12.6
193.06323	0.7
193.10049	2.5
194.07188	2.2
194.10832	1.3
195.08008	3.5
195.11649	1.4
196.05093	1.0
196.08765	2.8
197.05928	1.6
197.09505	0.9
197.13203	1.9
202.07741	2.2
203.08398	0.5
205.06416	1.8
205.10168	0.7
206.07117	0.7
207.08234	1.7
207.11665	13.6
208.08890	0.4
208.12065	0.8
209.09607	0.6
209.13136	0.5
210.06676	0.7
210.10292	1.0
211.05682	0.4
211.07532	5.4
211.11069	0.9
212.08363	3.1
213.09012	0.4
217.10088	2.4
218.07301	0.4
219.08060	2.2
220.08812	7.5
220.67416	0.4
221.06081	0.5
221.09589	2.0
222.10332	1.4
223.07571	2.6
223.11086	1.3
224.08250	1.7
225.05360	1.0
225.09167	1.7
225.12700	1.1
232.43709	0.4
232.46115	0.4
235.07539	0.7
235.11151	13.3
236.11807	1.6
237.09018	0.7
238.09865	17.2
239.10393	1.7
240.07845	0.6
245.09439	0.8
248.08350	2.6
249.05429	0.4
249.09088	0.5
252.11380	0.7
253.12209	100.0
254.12578	4.7
263.10699	4.7
266.09430	0.9
281.04544	5.1
281.07809	0.8
281.08371	0.6
281.11710	17.8
281.15048	1.3
282.12137	0.9
299.06244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1172
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
55.01828	1.2
55.05492	0.5
67.05483	0.4
69.03381	0.8
69.65653	1.6
85.23044	0.4
98.97562	0.5
111.04433	0.4
115.05350	0.7
116.98573	0.5
129.06883	0.4
131.08508	0.4
141.06949	1.6
142.07761	0.6
143.08553	1.4
145.10081	0.5
152.06177	1.2
153.06982	2.1
155.08527	3.3
165.06978	8.6
166.07797	3.0
167.08553	4.3
168.05586	0.7
168.09279	0.8
169.06439	1.8
169.10092	1.1
174.69200	0.4
177.06978	0.9
178.07756	6.3
179.04842	0.4
179.08536	9.5
180.09178	1.4
181.06438	2.3
181.10135	2.0
182.07281	0.8
182.10857	0.8
183.08028	6.5
183.11630	1.4
184.08678	0.6
189.06889	0.9
190.07729	1.2
191.08522	6.8
192.09322	19.1
193.06424	1.2
193.10088	5.6
194.07268	5.1
194.10844	1.8
195.08044	4.7
195.11632	2.6
196.05244	1.1
196.08821	2.9
197.05994	2.7
197.09541	0.8
197.13232	1.7
198.06834	1.0
201.07173	0.4
202.07753	6.5
203.08443	1.7
205.06496	2.4
205.10065	1.7
206.07158	0.9
207.08102	5.4
207.11661	18.3
208.08727	0.7
208.12050	0.5
209.05910	1.2
209.09569	2.4
209.13268	0.7
210.06700	1.0
210.10347	1.0
211.07500	6.4
211.11052	1.0
212.08340	2.4
213.08978	1.2
215.08540	0.9
216.09311	0.5
217.10143	3.5
218.07265	0.6
219.08028	5.3
220.08804	9.3
221.06032	0.9
221.09584	3.9
222.06755	1.3
222.10350	2.3
223.07587	3.2
223.11047	2.5
224.08200	3.1
225.05553	1.9
225.09035	3.4
225.12642	0.9
233.09618	1.2
234.10425	0.5
235.07462	1.3
235.11153	18.7
236.11795	1.5
237.09079	7.2
238.06224	0.6
238.09871	17.2
239.10640	21.9
240.11055	0.7
245.09741	0.7
248.08195	1.9
251.06863	0.5
251.10699	1.5
252.11458	3.8
253.05144	1.9
253.12213	100.0
254.12575	4.4
263.10651	33.1
264.11072	1.3
266.09317	1.4
277.00781	0.6
281.04565	9.1
281.08249	1.6
281.11697	41.6
281.14978	1.4
282.04883	0.6
282.12100	1.6
299.06180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66557	0.7
55.05462	1.1
76.01299	0.6
116.98585	0.9
141.06937	1.5
143.08513	1.7
152.06137	1.4
153.06937	2.1
154.07721	1.3
155.08443	3.1
162.82275	0.8
165.06976	8.3
166.07771	5.2
167.08540	5.8
168.05643	0.9
168.09235	1.1
169.06413	2.3
169.10114	1.3
177.07004	1.2
178.07747	6.7
179.08554	9.5
180.09167	2.1
181.06396	2.2
181.10069	3.2
182.07275	1.1
182.10828	0.9
183.08051	7.3
190.07654	1.7
191.08543	7.1
192.09326	21.2
193.06401	0.9
193.10097	6.9
194.07249	6.2
194.10924	1.3
195.08054	6.3
195.11630	3.0
196.05119	1.5
196.08905	3.8
197.05931	2.3
197.09641	2.1
197.13193	2.6
199.07396	1.1
202.07748	7.2
203.08473	1.4
205.06462	4.3
205.10033	2.4
205.11852	0.8
206.07191	1.7
207.06407	0.9
207.08107	5.5
207.11670	19.3
209.09517	3.1
210.06557	1.0
211.07538	7.7
211.10933	1.2
212.08220	3.4
213.08844	1.1
215.08536	1.4
217.10052	3.8
219.07980	4.9
220.08807	9.8
221.05974	1.4
221.09563	4.6
222.06664	2.3
222.10312	2.6
223.07486	2.4
223.11128	2.7
224.08246	2.4
225.05452	0.9
225.09053	3.4
225.12653	1.9
234.10463	0.9
235.11165	21.0
236.11577	2.1
237.09074	9.1
238.09830	17.7
239.10658	22.6
240.11012	0.9
245.09532	0.8
248.08310	3.2
251.10612	1.2
252.11302	4.6
253.12216	100.0
254.12534	2.9
263.10648	33.2
264.11038	1.5
266.09381	1.3
281.04825	3.9
281.11719	42.2
281.15186	3.0
282.12070	1.7
294.43817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23139	0.6
50.57446	0.6
56.96564	3.3
59.33004	0.6
69.03400	1.1
70.50053	0.7
80.53781	0.5
82.73956	0.6
84.08105	0.5
90.16691	0.5
97.27949	0.6
98.06040	7.4
98.97577	23.6
112.06899	0.7
112.07600	10.2
116.31978	0.7
116.97770	0.8
116.98616	16.5
119.01907	1.2
122.04539	1.3
134.99646	4.9
140.05504	9.0
140.06416	0.8
150.07689	0.5
152.05614	1.0
152.06801	0.7
158.06619	63.7
159.06752	1.9
170.06598	2.8
176.07680	32.4
177.00885	2.0
177.07848	0.9
186.06071	1.5
188.07686	8.6
209.02878	0.8
211.09250	1.8
214.96489	2.4
219.01976	5.4
225.10829	34.0
226.10942	1.2
229.10271	1.6
232.62021	0.7
233.11496	1.2
235.04608	0.7
239.12373	6.2
240.98822	1.2
243.11885	18.1
244.11972	1.0
251.12396	96.3
252.12534	4.8
253.05527	0.9
256.97601	7.1
257.13446	2.4
257.97702	1.2
258.99747	10.2
263.12390	44.9
264.12625	2.3
269.13446	64.0
270.13571	4.6
276.04700	1.6
277.00784	14.8
279.11829	1.5
281.13443	100.0
282.13681	5.7
292.15286	0.7
298.98590	4.1
299.06165	0.8
304.15225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
55.01861	9.3
55.05504	8.6
65.03938	4.9
66.26360	4.6
67.05500	15.1
69.03416	3.7
69.07056	5.8
69.14589	7.1
69.14994	17.6
71.04949	4.4
79.05486	24.6
81.03412	14.8
81.07039	11.3
83.04955	9.9
83.93608	3.8
85.02934	4.2
88.61999	3.3
91.05463	61.7
93.07041	24.5
95.04963	100.0
95.08583	9.5
97.06516	59.5
98.97572	15.2
105.07028	33.7
107.04942	8.0
107.08572	15.5
109.02876	12.2
109.06501	22.2
111.08076	5.8
115.05437	6.4
116.98598	15.7
117.07025	7.2
119.04948	17.9
119.08569	13.0
121.06495	13.3
128.06209	7.7
129.06972	12.1
131.08568	18.3
133.06506	18.6
135.08040	17.1
137.05997	5.5
143.08548	5.4
145.06482	15.7
147.04439	9.1
147.08067	10.5
149.02298	5.7
149.09528	8.0
150.59409	4.0
151.07536	4.9
159.08069	12.9
161.05974	63.5
163.07556	10.0
171.11674	11.9
175.07523	5.1
177.09106	7.4
187.07532	6.6
199.11166	15.5
205.08577	6.8
217.12297	4.5
258.99878	8.5
275.52930	4.1
277.00806	8.9
299.06058	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	281.1536
Annotation	4-Methoxyhonokiol
Peak:m/z	Relative Intensity
55.01850	0.3
55.05501	0.3
59.31632	0.2
67.05518	0.2
69.03416	0.4
69.28811	0.2
69.91270	0.6
79.05464	0.4
81.07022	0.5
95.04932	0.2
111.37135	0.2
152.06233	0.3
153.07010	0.2
155.08560	0.3
165.06953	1.5
167.08528	1.0
169.06461	0.8
169.10086	0.2
178.07755	2.8
179.08548	2.1
180.05737	0.2
180.09265	0.4
180.16196	0.2
181.06406	0.3
181.10118	0.6
182.07251	0.3
183.08032	0.4
183.11667	0.3
185.09599	0.2
189.07019	0.2
190.07718	0.2
191.08522	1.9
192.09341	3.8
193.10112	6.5
194.10835	0.5
195.08020	1.5
195.11658	0.4
196.08836	0.2
197.05962	0.4
197.09589	0.8
197.13272	0.2
198.06750	1.3
200.08519	0.2
202.07820	1.0
203.08560	1.2
203.10396	0.2
204.09164	0.2
205.06450	0.7
205.10083	3.8
205.11874	0.2
206.07246	0.7
206.10872	3.2
207.08081	1.8
207.11673	3.6
208.08551	0.3
208.12326	0.4
209.09602	1.3
209.13152	0.6
210.06662	0.6
210.10419	0.3
211.07503	2.4
211.11095	0.5
212.08217	0.3
213.09134	1.2
215.08559	1.0
216.09239	0.3
217.10117	1.1
219.08023	3.7
219.11615	0.5
220.08859	3.8
220.12399	3.8
221.09587	8.5
221.13136	0.6
222.10359	4.0
223.07515	2.4
223.11115	0.7
224.08301	0.8
224.11949	0.6
225.09070	4.1
225.16389	0.2
229.10118	0.3
230.10892	1.6
233.09579	5.6
234.10364	4.2
235.11133	9.2
235.14789	7.4
236.11601	0.4
236.15239	0.4
237.09088	3.0
237.12677	0.5
237.16437	0.2
238.09857	13.2
239.10632	10.7
240.11395	5.9
245.13220	0.8
247.11137	0.7
248.08241	0.4
248.11945	5.8
249.12599	0.4
251.10658	3.2
252.11423	11.2
253.08698	0.2
253.09244	0.2
253.12144	2.4
253.15958	0.4
263.10699	3.5
263.14282	12.5
264.14752	0.7
265.12225	0.2
266.12994	8.7
267.13208	0.2
276.93820	0.2
281.15323	100.0
282.12363	0.3
282.15656	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	281.1534
Annotation	4-Methoxyhonokiol
Peak:m/z	Relative Intensity
50.83841	0.3
58.46220	0.3
69.18633	1.9
81.07055	0.7
91.05479	0.4
93.43208	0.4
113.24627	0.4
115.05454	0.4
141.06961	0.6
141.53474	0.3
155.08501	0.5
165.07031	1.2
166.07777	0.4
167.08521	0.9
169.06427	2.0
169.10081	0.5
178.07774	2.7
178.09035	0.4
179.08522	3.2
180.09372	0.5
181.06454	0.7
181.10107	1.2
182.07239	1.0
183.08038	0.7
183.11665	0.6
190.07631	0.6
191.08527	3.0
192.09320	12.8
193.10100	5.8
195.08020	1.0
195.11662	1.3
196.05190	0.4
196.08865	0.4
196.12291	0.4
197.05942	1.3
197.09599	1.3
198.06708	0.8
200.08282	0.5
202.07761	4.8
203.08484	1.4
205.06523	0.8
205.10101	2.5
206.07269	1.0
206.10875	2.1
207.08101	2.3
207.11679	6.7
208.08791	0.8
208.12177	0.4
209.09586	1.9
210.06706	1.7
211.07527	2.0
211.11136	1.5
213.09117	2.0
215.08627	0.9
216.09193	0.4
217.10083	2.5
218.07310	0.4
219.08083	3.7
220.08853	6.8
220.12326	2.4
221.09578	5.0
221.13113	0.7
222.10312	2.5
222.14047	0.6
223.07549	2.9
223.11075	1.9
223.14655	0.4
224.08243	2.1
224.11856	0.8
225.09048	1.1
225.16373	0.4
230.10915	1.1
233.09563	4.5
234.10355	1.9
235.11157	31.5
235.14542	2.6
236.11482	1.6
237.09077	4.8
238.09856	16.5
239.10643	18.6
240.11166	0.8
245.09747	0.7
245.13110	0.7
248.08282	0.8
248.11975	3.1
249.12656	0.6
251.10677	6.1
252.11430	18.5
253.12183	2.6
263.10611	15.3
263.14185	3.5
264.10983	1.0
264.14847	0.5
266.12997	12.7
267.13306	0.5
281.11777	10.6
281.15311	100.0
282.15652	5.2
293.36777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03938	5.2
55.01861	4.6
55.05507	37.3
57.03432	27.5
57.07081	1.6
65.03937	4.9
65.20123	1.0
67.05501	83.9
69.03418	2.1
69.07061	15.0
71.04981	4.0
73.06538	3.2
75.25084	1.0
77.03927	2.6
79.05486	100.0
80.05816	1.6
81.03405	16.0
81.07051	61.6
82.23084	1.0
83.04975	33.6
83.08618	10.0
85.02908	1.3
85.06538	3.7
91.05472	65.2
92.05842	1.3
93.07037	71.1
95.04961	35.1
95.08599	39.3
97.02906	2.3
97.06551	7.8
97.10165	4.3
98.97563	1.9
105.04488	6.4
105.07020	46.4
106.07400	1.5
107.04952	8.8
107.08585	21.0
109.06529	8.3
109.10164	5.8
111.08103	2.4
115.05410	1.2
116.98638	1.4
117.07016	10.0
119.07742	2.0
119.08572	29.5
121.06503	3.1
121.10133	6.0
123.08057	8.4
123.11629	1.0
127.07610	2.6
128.06235	2.5
129.06993	18.5
131.08572	3.2
132.61829	1.0
133.06453	2.1
133.10117	13.6
135.08032	1.5
135.11716	2.7
141.09093	1.4
143.08569	11.2
145.10098	9.3
147.08041	3.0
147.11679	39.1
159.11711	1.7
161.09586	5.2
161.13263	15.6
163.11136	1.1
165.97318	1.0
171.11665	25.7
179.14420	1.0
189.12726	9.1
207.13757	9.9
225.05493	1.3
281.04391	4.3
281.17471	31.3
282.17944	2.0
299.06128	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85882	1.5
53.03944	8.1
55.01868	4.9
55.05507	41.1
57.03432	26.6
57.07074	2.1
65.03932	4.6
67.05499	87.7
69.03413	1.6
69.07055	20.4
70.66547	2.8
71.04974	3.3
73.06554	2.0
77.03923	1.7
79.05486	100.0
81.03407	16.0
81.07047	70.0
83.04972	36.7
83.05439	2.7
83.08609	10.4
85.06552	2.9
91.05472	68.2
92.05791	1.9
93.07039	76.1
95.04960	27.3
95.08601	44.2
97.02868	1.4
97.06523	8.2
97.10166	5.0
98.97553	2.1
99.08073	1.4
105.04510	4.3
105.07021	55.3
107.04943	9.9
107.08588	25.2
109.06516	9.9
109.10156	6.7
111.08094	2.4
117.07004	10.7
119.08571	31.2
121.06495	4.0
121.10143	6.6
123.08045	11.3
127.07558	2.0
128.06148	2.9
129.06987	19.2
131.08542	3.6
133.06497	1.6
133.10120	17.2
135.08060	2.2
135.11737	2.7
137.09598	1.9
141.09174	2.2
142.07790	1.3
143.08551	10.5
145.10109	10.3
147.08038	3.7
147.11662	43.9
156.09334	2.1
161.09607	3.9
161.13261	15.6
171.11671	31.2
172.36282	1.3
179.14214	1.7
189.12746	9.9
207.13696	11.8
220.08716	1.7
235.10997	2.0
263.10693	4.1
277.00668	1.8
281.04504	1.5
281.11655	2.3
281.17444	36.9
282.17444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	10.4
66.12223	0.4
70.93149	0.6
83.19398	0.4
98.97575	100.0
99.97888	0.5
101.93467	0.5
108.70377	0.4
111.78340	0.5
116.98612	48.4
134.99646	15.2
140.00117	0.5
150.07719	7.0
153.00722	1.0
176.18637	0.4
216.98697	0.7
234.99808	0.6
240.98625	3.0
250.45450	0.5
258.99744	46.5
259.99960	2.1
277.00790	70.1
278.01013	2.4
282.99908	0.7
295.01855	0.9
300.02298	0.9
301.00946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98664	0.5
56.96560	9.9
69.30923	2.6
71.95255	0.6
74.42326	0.4
75.09818	0.4
96.39477	0.5
98.97575	100.0
116.98613	52.5
122.09813	0.5
127.06555	0.5
134.99649	15.8
137.04315	0.5
140.00215	0.7
152.00780	0.5
153.00713	1.3
178.43843	0.4
216.98868	1.4
219.02032	1.8
220.02115	0.9
234.99895	2.1
236.98473	0.5
240.98636	3.9
258.99768	46.7
259.99960	2.0
277.00797	64.2
278.00974	2.0
282.99969	9.2
295.01883	0.8
300.02234	0.7
301.01010	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
56.17514	0.3
61.08186	0.4
68.99812	0.6
77.80682	0.3
83.01319	0.6
84.20486	0.3
128.06213	0.4
129.06998	0.8
141.06976	0.9
142.07823	0.7
143.08569	0.6
152.06224	0.5
155.04913	0.4
155.08543	0.5
157.06487	1.9
157.10075	0.4
161.09700	0.4
165.06953	0.6
167.08482	0.4
169.06477	1.3
169.10098	0.3
170.07242	1.3
171.08041	6.4
178.07751	4.7
179.08656	1.7
179.10072	0.3
183.08072	0.9
183.11664	1.9
192.09253	0.5
193.10117	7.9
193.11897	0.4
195.08098	0.5
196.08705	0.4
197.05959	0.8
197.09605	4.4
202.07817	0.6
203.08498	2.0
206.07251	1.1
207.08052	1.5
210.06616	0.4
211.07549	1.5
211.11197	2.7
213.09062	0.5
221.09583	19.3
222.10092	0.9
225.05441	0.5
225.09094	5.6
227.06935	0.4
231.08150	1.1
234.06737	1.0
235.07521	2.2
235.11179	1.0
236.11595	2.4
237.09222	0.4
238.06207	0.9
239.07007	1.5
239.10628	7.1
240.07881	0.6
249.09094	20.4
250.09521	1.2
252.07791	1.1
253.08597	4.7
253.11702	0.9
254.09352	1.3
263.10699	0.6
264.11301	1.3
265.12140	0.5
267.10144	44.7
268.10504	1.5
281.11728	1.3
282.12494	100.0
283.12842	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	282.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68442	0.2
55.05493	0.6
56.73631	0.2
69.60545	1.1
79.39051	0.3
81.07047	0.7
83.04977	0.3
86.64339	0.3
98.97565	1.0
105.76048	0.3
111.04420	0.3
116.98592	1.0
134.99596	0.5
153.06952	0.6
154.07347	0.3
155.08307	0.3
157.09819	0.3
163.97719	0.4
165.07002	0.6
166.07445	0.5
167.08401	0.3
168.08902	0.9
169.06439	0.6
170.06825	0.5
170.10458	0.5
178.07808	0.6
179.08406	2.3
180.08946	1.2
181.06383	0.4
182.07042	0.8
182.10457	0.9
183.07829	0.6
184.08318	0.5
184.12050	0.5
186.99205	0.3
187.11111	0.4
190.07513	0.4
191.08400	0.6
192.08974	2.1
193.09787	3.4
194.10460	3.6
195.07994	0.6
195.11696	1.3
196.08423	1.1
196.11958	0.9
197.05815	0.6
197.09483	0.5
198.06364	1.1
198.10158	0.3
199.07237	0.3
203.08167	1.3
204.09062	0.7
206.06949	0.6
206.10527	2.1
207.08025	3.5
207.11336	1.2
208.08688	2.0
208.12044	2.4
209.09247	0.7
209.12709	0.3
210.09950	1.3
211.07204	1.3
211.10847	0.3
212.07899	1.4
212.11502	1.1
213.09026	0.8
213.12643	0.4
214.09470	0.9
216.09044	0.6
217.09715	0.4
218.10446	1.0
219.07851	0.4
219.11470	0.3
220.08427	2.5
220.12389	0.3
221.09320	3.1
221.12794	2.2
222.10001	3.8
222.13600	0.7
223.07452	0.4
223.10951	4.0
223.14304	0.4
224.05841	0.3
224.07950	2.0
224.11407	1.4
225.08885	2.6
225.12279	0.4
226.09462	1.4
230.10538	0.5
231.11362	1.4
233.09526	0.4
234.09959	3.8
235.10907	1.9
236.11525	8.6
236.15056	3.0
237.08978	0.7
237.16205	0.5
238.09605	5.3
239.10265	14.6
240.11006	14.3
241.12039	1.0
246.13438	0.5
248.11560	0.3
249.08665	0.4
249.12515	6.1
250.13196	0.8
251.10648	0.6
252.11067	6.7
253.11781	17.8
254.12576	2.4
254.16141	0.4
258.99799	0.6
259.99860	0.3
264.10904	3.2
264.14600	4.0
265.11993	0.3
265.15799	1.1
266.12704	0.8
267.13376	12.8
268.13956	0.5
277.00797	1.2
282.15674	100.0
282.27887	1.2
283.16766	6.0
295.73901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01864	0.5
57.03424	1.0
57.41970	0.3
65.03926	3.6
69.03416	6.0
69.71559	1.1
71.04965	0.9
73.02910	0.4
81.03407	16.0
85.02895	4.9
93.65634	0.3
95.04964	5.2
95.08599	0.3
97.02885	2.8
98.22758	0.4
99.04439	1.9
109.02168	0.6
109.02869	6.7
109.06499	0.3
110.79913	0.3
111.04427	3.1
121.02851	100.0
121.03882	4.3
122.03178	1.7
126.01041	1.0
127.03889	2.3
139.03879	6.4
147.04379	0.7
177.12666	0.3
178.72462	0.3
202.87099	0.4
216.02724	0.3
265.07050	9.7
268.07486	0.4
271.15695	0.3
283.09891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01855	0.7
55.05511	0.5
57.03428	0.9
61.02931	0.4
64.77906	0.3
65.03937	3.3
67.05479	0.6
69.03424	5.3
70.00742	0.4
70.98518	0.4
71.04986	0.8
72.08154	0.5
73.02896	0.6
75.20122	0.3
81.03410	14.2
85.02895	6.5
91.05486	0.5
93.07034	0.7
95.04964	5.7
97.02872	2.6
98.97548	0.6
99.04457	1.5
105.04504	0.4
109.02869	6.1
109.10174	0.4
111.04430	2.5
115.92764	0.4
121.02859	100.0
121.03901	3.9
121.10135	0.4
122.03204	1.7
127.03912	1.6
139.03897	7.1
153.06990	0.4
165.06848	0.4
181.06485	0.7
191.03185	0.8
195.11713	1.1
204.09541	0.4
207.08003	0.6
208.08665	0.5
221.66884	0.4
223.11168	2.0
225.09045	0.7
233.66541	0.4
237.05481	0.4
237.16460	0.4
240.11420	0.5
241.12233	0.7
265.07040	6.2
265.15860	1.0
283.08472	0.4
283.11731	0.8
283.16949	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01863	0.5
57.03425	0.8
61.02912	0.4
65.03941	2.7
69.03061	0.4
69.03425	5.6
71.04981	0.7
71.41029	0.4
73.02903	0.5
75.16469	0.3
81.03412	15.0
85.02893	5.4
93.41540	0.3
95.04961	5.6
97.02891	2.1
99.04432	1.3
100.11244	0.3
105.04467	0.3
109.02874	6.9
109.93728	0.2
111.04442	2.9
119.79947	0.3
121.02857	100.0
121.03877	4.1
122.03176	1.7
127.03899	1.6
139.03893	7.5
145.04982	0.3
152.81979	0.2
193.68768	0.3
233.08543	0.2
237.05582	0.4
237.09164	0.6
245.81798	0.3
260.04767	0.3
265.07001	8.0
274.45706	0.2
283.08185	0.7
283.23801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95815	0.3
53.03930	0.8
54.00299	0.2
55.01867	0.4
55.05503	0.3
57.03431	0.8
65.03933	3.1
67.05490	0.6
69.03426	4.5
69.07064	0.5
71.04993	0.3
81.03413	7.4
81.07085	0.6
85.02901	5.2
95.04960	6.2
97.02876	1.2
98.97578	0.4
99.04441	0.7
99.08069	0.3
105.04504	0.3
105.07002	0.4
107.08580	0.3
109.02873	2.8
111.04446	2.7
116.98609	0.4
119.08540	0.4
121.02857	100.0
121.03886	3.9
122.03187	1.6
127.03883	1.3
131.08641	0.3
139.03900	7.5
141.07065	0.4
145.10068	0.3
154.34265	0.3
157.10091	0.7
165.07001	0.7
167.08510	0.6
169.10191	0.3
171.11664	0.4
179.08423	0.4
180.09303	0.4
181.06459	0.6
181.10155	0.8
190.07744	0.4
191.08482	1.3
194.07291	0.4
195.08020	0.6
195.11720	1.0
197.13120	0.6
199.14832	0.3
203.08479	0.3
204.09262	0.4
209.09581	1.0
211.07520	0.4
211.11154	0.4
219.08029	1.7
219.11801	0.5
223.07626	0.4
223.11183	1.5
225.09114	0.6
227.07021	0.8
237.09085	2.7
237.12679	0.3
240.11455	0.7
247.07523	1.1
247.11194	0.4
255.06511	0.5
255.10268	0.7
265.06714	2.5
265.12247	0.5
265.15897	0.8
283.06152	0.4
283.09616	6.0
283.13239	1.6
283.16910	4.1
283.20508	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01871	0.5
55.05501	0.3
57.03429	0.7
65.03935	2.5
69.03426	5.0
69.07070	0.2
70.98329	0.3
71.04971	0.5
79.05476	0.3
81.03414	13.3
81.07044	0.3
85.02900	5.1
91.05452	0.3
93.07026	0.6
95.04964	6.0
97.02890	1.5
99.04460	1.3
105.04507	0.3
109.02874	4.8
111.04434	3.0
112.30302	0.2
117.07149	0.2
121.02861	100.0
121.03884	3.5
122.03193	1.5
127.03903	1.4
129.06953	0.3
139.03889	7.6
139.04967	0.4
144.56686	0.2
157.10077	0.5
162.22791	0.2
165.06995	0.4
169.10043	0.3
181.04990	0.3
181.06458	0.5
194.07246	0.4
209.06036	0.2
211.07471	0.3
223.11232	1.1
223.14722	0.2
225.09169	0.5
240.11415	0.4
241.11868	0.2
265.07086	6.0
265.15585	0.3
283.05734	0.5
283.12091	0.6
283.16928	2.7
283.20206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01855	0.4
57.03428	0.7
60.31178	0.2
60.64830	0.2
61.02909	0.3
65.03935	3.2
69.03426	3.9
70.66491	0.3
70.66846	0.2
70.96962	0.2
71.04967	0.5
79.16456	0.2
81.03410	6.5
84.60153	0.2
85.02895	4.6
93.03374	0.3
95.04961	6.1
97.02886	1.4
99.04455	1.1
105.04501	0.3
109.02869	3.1
110.74514	0.2
110.75262	0.2
111.04426	2.4
121.02858	100.0
121.03865	3.6
122.03196	1.5
127.03914	1.4
139.03889	8.2
178.07861	0.2
202.07663	0.2
204.09326	0.8
219.11664	1.1
223.07924	0.2
229.10123	0.2
232.08833	0.5
237.09088	0.3
237.12714	0.4
247.11223	1.7
265.07050	3.7
265.12177	2.5
280.04599	0.2
283.08347	0.8
283.13287	0.7
283.16885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85413	0.2
51.16751	0.2
53.03939	1.7
55.01875	0.9
55.05508	1.1
55.75372	0.2
57.03436	1.0
57.07069	0.6
61.02938	0.3
61.19195	0.1
62.11467	0.2
65.03933	3.3
65.22581	0.2
67.05499	0.3
69.03423	5.6
69.07059	0.2
69.28471	0.9
71.01346	0.3
71.04989	0.7
72.54809	0.2
73.02913	0.5
81.03410	15.7
81.07055	0.3
83.08611	0.8
85.02895	4.7
85.06538	0.3
88.21822	0.2
89.06014	0.2
93.03378	0.4
95.04962	5.4
95.06789	0.2
95.08590	0.2
97.02885	2.2
98.97547	0.3
99.04456	1.8
100.07629	0.3
100.11250	7.3
101.02411	0.2
105.04482	0.3
106.67770	0.2
107.08610	0.3
109.02868	6.0
109.81615	0.2
111.04433	2.8
116.98603	0.2
117.13892	0.9
121.02856	100.0
121.03875	4.2
122.03159	1.7
127.03922	1.9
139.03886	5.9
145.09933	0.2
167.08615	0.3
181.06387	0.3
181.10077	0.2
182.15375	1.4
183.27367	0.2
184.16943	0.7
195.08083	0.3
195.11623	0.3
199.18034	3.8
201.19554	1.6
208.08769	0.3
223.11195	0.7
225.09094	0.4
237.09023	0.3
239.10770	0.2
240.11505	0.3
241.12180	0.3
253.12166	0.2
254.12962	0.2
265.07019	7.3
265.11566	0.3
265.22760	0.2
266.07339	0.2
273.98633	0.2
278.00955	0.2
283.08282	0.8
283.13629	0.2
283.16916	2.3
283.20511	0.5
283.23755	3.2
286.48920	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01862	0.5
56.61370	0.2
57.03418	0.8
61.02919	0.5
65.03934	2.7
69.03426	5.4
69.31069	1.1
71.01332	0.2
71.04984	0.6
72.09748	0.2
73.02921	0.4
81.03410	14.0
85.02895	5.1
87.57647	0.2
87.84451	0.2
93.03387	0.3
95.04959	5.5
95.05528	0.4
97.02880	2.0
98.97578	0.3
99.04424	1.3
105.04478	0.3
109.02869	5.5
111.04432	2.8
121.02856	100.0
121.03859	3.4
122.03192	2.0
127.03895	1.4
139.03885	7.2
170.15453	0.2
180.09407	0.2
195.08008	0.5
195.11778	0.3
223.11102	0.7
237.12729	0.3
239.84956	0.2
255.13751	0.7
265.07068	6.3
278.00980	0.3
283.08282	0.8
283.13062	0.3
283.16934	1.4
283.20251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01871	0.8
57.03436	0.7
57.35215	0.4
61.02925	0.7
65.03928	2.9
67.05489	0.5
69.03064	0.5
69.03427	6.6
69.24990	2.0
71.04962	0.6
73.02905	0.7
76.43501	0.4
79.05492	0.4
81.03414	15.5
81.03896	0.8
81.07070	0.8
84.37998	0.4
85.02895	4.3
90.04626	0.4
91.05470	0.8
93.07015	0.7
95.04958	5.2
95.08669	0.5
97.02880	3.3
97.12681	0.4
98.97601	0.6
99.04453	1.2
105.07019	0.6
107.08560	0.8
109.02869	6.6
111.04426	3.2
116.98617	0.5
119.08572	0.6
121.02860	100.0
121.03893	4.0
121.10131	0.5
122.03152	2.1
127.03885	2.3
139.03893	6.9
153.07018	0.9
164.05295	1.1
177.09163	0.7
179.08612	0.5
180.09279	0.4
181.05020	0.8
181.06439	0.9
195.11684	0.9
207.07918	0.4
209.08070	0.9
212.54858	0.4
221.09514	0.5
223.11203	2.8
225.09126	0.8
237.12994	0.4
240.11452	1.8
241.12109	0.8
250.13516	0.5
253.10680	0.6
255.08298	0.8
265.04514	0.7
265.07071	9.5
265.15936	1.1
283.05719	1.0
283.11902	0.6
283.16934	6.7
283.20203	0.9
284.17096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.03951	1.2
55.01861	0.3
57.03426	0.7
57.41295	0.2
61.02927	0.4
63.75726	0.3
65.03938	3.0
66.22726	0.2
69.03427	4.3
69.07080	0.2
70.49318	0.4
70.49645	0.2
70.73655	0.2
71.01340	0.3
71.04997	0.3
73.02902	0.4
79.05481	0.2
81.03415	10.7
81.07021	0.3
85.02903	5.2
93.07020	0.3
95.04961	5.1
97.02885	2.0
99.04462	1.2
105.04480	0.3
109.02873	4.8
111.04446	2.2
121.02863	100.0
121.03885	4.0
122.03147	1.6
127.03919	1.4
139.03891	7.8
195.11607	0.3
201.33130	0.2
205.10184	0.3
223.06049	0.4
223.11107	0.5
251.92908	0.2
265.07013	6.0
283.05472	0.4
283.08197	0.6
283.13223	0.2
283.16980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0963
Annotation	Matteuorien
Peak:m/z	Relative Intensity
53.93829	0.2
55.01859	0.5
63.11873	0.3
69.61160	0.5
69.61548	0.7
91.05486	0.3
98.97527	0.4
115.05405	0.4
116.98524	0.4
117.06985	0.3
121.02849	0.7
128.06215	0.8
129.06972	0.8
141.06963	0.7
142.07773	0.3
143.04930	0.8
143.08537	1.3
145.06480	1.5
152.06183	1.1
153.06973	2.8
155.04900	1.1
155.08569	0.6
157.06505	0.8
157.10135	0.4
165.06973	4.5
166.07776	6.0
167.08548	5.3
168.05701	0.3
169.06462	0.3
171.04359	0.9
171.08066	1.7
173.05946	1.7
177.06982	0.5
178.07774	0.5
179.08525	0.8
181.06493	3.5
181.10101	6.8
183.08092	0.5
185.06000	0.4
185.09598	1.5
189.06961	0.6
190.07767	2.4
191.08539	10.6
192.08871	0.5
194.07256	3.8
195.08032	12.7
195.09869	0.6
196.08446	0.4
197.05827	0.7
198.06708	0.5
199.07510	2.5
199.11179	0.4
201.05479	1.5
201.07021	0.3
203.08585	0.4
204.09319	0.8
207.08028	0.2
208.08728	0.3
209.06236	1.7
209.09599	16.9
210.10043	0.6
211.07506	0.8
212.08304	1.2
213.05458	0.3
213.09065	4.2
214.06206	0.7
219.08023	11.8
219.11436	0.6
220.08412	0.8
222.06775	2.8
222.10231	0.3
223.07503	5.2
225.05417	0.5
227.07007	14.5
227.10638	1.2
228.07306	0.7
232.08748	0.3
236.08330	0.3
237.09076	48.6
237.12885	1.4
238.09412	2.4
240.07854	1.5
241.04851	0.7
241.08577	6.3
242.08786	0.4
247.07506	6.9
247.11075	0.7
254.09320	0.8
255.06496	7.1
255.10146	6.8
255.13765	3.7
265.08582	12.2
265.11710	0.6
266.08887	0.4
267.61938	0.3
268.07224	0.8
274.41696	0.3
278.01028	0.4
283.09613	100.0
284.09967	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	283.1327
Annotation	Randainol
Peak:m/z	Relative Intensity
55.05508	1.4
67.05527	1.0
69.57610	4.6
71.08588	1.2
80.12212	0.9
81.07062	1.8
83.08623	1.1
89.06053	2.1
95.08596	2.2
98.19548	1.1
98.97583	2.0
106.56992	1.0
116.98599	2.4
118.69408	1.0
133.10016	0.9
155.08559	2.0
165.07050	2.5
167.08548	2.8
178.07726	2.5
179.08543	6.9
180.09352	1.0
181.06425	1.7
181.10086	1.8
185.77834	1.0
189.06953	5.6
190.07800	3.4
191.08562	6.2
192.09290	2.4
193.09853	2.8
194.07228	1.4
194.10239	3.7
195.08044	3.7
195.11702	1.6
196.08594	1.4
202.07713	7.1
203.08527	23.2
204.09338	63.5
205.06512	2.0
205.09978	2.8
206.07291	5.3
207.07980	3.4
207.11661	2.6
208.08813	2.3
208.12120	1.0
209.09517	2.3
209.13243	1.7
217.10149	5.8
219.08067	5.7
219.11668	67.3
220.08643	1.6
220.12018	2.6
221.09457	1.6
222.09656	3.1
223.07500	1.3
223.11136	5.0
224.08293	11.1
225.08972	2.0
228.09282	2.5
229.08090	1.7
229.10077	9.0
231.07990	4.5
232.08804	32.7
233.09358	1.4
235.11134	7.4
236.11349	2.0
237.09041	4.1
237.12305	12.3
240.07791	2.4
240.11096	3.2
241.11307	2.2
245.09499	1.0
247.11153	100.0
248.11562	2.9
250.09882	6.3
253.11517	1.6
254.09525	1.2
254.12196	3.9
265.12189	81.3
266.12592	3.1
268.10889	2.2
268.13754	2.6
278.00879	1.6
282.27841	2.7
283.13098	35.7
283.16373	24.3
283.28131	2.4
284.13635	2.1
284.29501	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	283.1327
Annotation	Randainol
Peak:m/z	Relative Intensity
53.48221	0.9
69.92358	3.3
79.04251	1.0
140.18402	0.9
153.06950	1.5
155.08543	2.2
165.07045	2.1
167.08609	2.5
178.07744	2.7
179.08560	6.7
181.06332	1.2
181.10158	2.0
189.06995	7.1
190.07762	3.6
191.08554	7.5
192.09332	1.5
194.10895	1.2
195.08046	3.1
196.08755	1.6
202.07777	9.4
203.08551	27.5
204.09334	79.1
205.06474	1.6
205.09758	5.1
206.07294	4.3
207.08051	2.7
209.09569	1.1
209.13220	1.6
213.60925	1.1
215.08527	2.2
217.10114	4.2
218.10852	2.0
219.08093	6.2
219.11673	75.0
220.12077	2.9
223.07538	1.6
224.08321	13.5
228.09348	2.3
229.10095	9.3
231.08052	5.3
232.08821	33.2
233.09210	1.9
235.07495	1.5
235.11136	3.7
237.09158	5.2
237.12691	5.8
247.11171	100.0
248.11491	4.6
250.09822	2.9
252.93120	1.2
257.10757	1.2
265.12219	64.1
266.12634	3.5
283.13254	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	283.1327
Annotation	Randainol
Peak:m/z	Relative Intensity
63.27357	0.4
64.19650	0.3
66.60589	0.4
70.54987	0.5
74.05421	0.4
75.00314	0.3
98.97554	0.9
124.97543	0.4
155.08505	1.5
157.10139	0.5
165.06972	1.6
166.07715	1.0
167.08525	1.6
168.09279	0.8
171.07979	0.6
171.47176	0.4
178.07721	0.9
179.08545	3.9
180.09258	1.0
181.06480	1.0
181.10092	1.0
189.06946	4.2
190.07744	3.1
191.08527	4.7
192.09215	1.0
193.10075	0.8
194.10855	1.3
195.08022	2.8
195.11624	0.8
196.08820	1.0
200.26991	0.3
202.07739	6.2
203.08536	17.5
204.09323	58.0
205.06468	1.3
205.09712	2.6
206.07257	4.4
207.07996	1.5
207.11557	0.5
208.08769	1.2
209.09573	1.0
209.13213	3.3
213.09047	1.0
214.07629	0.4
215.08507	0.8
216.09019	0.4
217.10095	4.4
218.10805	1.2
219.08064	5.5
219.11662	60.3
220.08670	0.9
220.11978	2.1
221.09605	0.6
222.10349	0.6
223.07600	0.6
223.11116	1.6
224.08310	9.9
225.08798	0.6
227.08470	1.2
228.09410	2.1
229.10107	9.1
230.10544	0.5
231.08000	3.5
232.08809	28.1
233.09239	1.4
235.07433	0.7
235.11182	3.7
237.09119	3.8
237.12723	9.9
246.10274	0.7
247.11156	100.0
248.11485	3.7
250.09946	2.0
254.09290	0.6
257.10562	0.8
265.12213	61.8
266.12540	2.6
270.94296	0.4
276.40610	0.4
283.13251	13.8
283.16806	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01616	4.6
55.01871	47.3
55.05506	81.0
57.03432	71.6
57.07067	7.9
59.04977	11.7
65.03922	4.0
67.05495	58.5
69.03412	4.6
69.07061	13.8
71.01335	4.4
71.04974	13.2
79.05482	70.6
81.03407	40.3
81.07049	61.4
83.01333	48.9
83.04968	49.7
83.08613	51.4
85.02879	15.9
89.06026	9.9
91.05463	43.3
91.80272	3.5
93.07037	88.8
95.04966	27.6
95.08603	27.5
97.02891	4.9
97.06532	14.4
97.10147	6.6
98.22625	8.0
99.04431	7.4
105.04454	4.4
105.07022	38.8
107.04955	34.2
107.08577	43.5
107.47853	3.4
109.06498	28.4
109.10124	12.1
111.04436	15.6
111.08105	6.0
112.79620	4.0
117.07021	26.0
119.08575	25.0
121.06486	14.7
121.10139	24.4
123.08048	29.0
125.05992	8.0
129.06963	4.4
130.07761	5.2
131.08549	8.0
133.10110	5.9
135.08037	4.6
135.11696	47.2
135.23531	3.2
137.09602	8.1
137.86063	3.0
145.10121	61.0
147.08029	7.1
153.12720	8.7
163.11165	100.0
173.09570	10.8
177.08821	5.4
181.12201	15.5
191.10648	10.2
209.11722	22.2
227.12721	14.9
283.15366	88.7
283.20450	4.8
283.23914	5.5
284.33109	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	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.22415	3.0
53.03931	4.4
55.01620	3.5
55.01869	45.9
55.05505	81.9
57.03431	67.0
57.07061	6.1
59.04986	12.0
61.10869	2.4
66.92012	3.6
67.05500	48.2
69.03416	6.5
69.07065	14.8
71.04973	12.5
79.05483	74.2
81.03414	34.5
81.07051	60.2
83.01334	38.2
83.04971	52.2
83.08615	39.8
85.02889	12.4
85.06557	5.3
89.06012	8.7
91.05475	50.0
93.07032	77.5
95.04964	28.3
95.08593	25.8
97.02912	5.1
97.06521	17.8
97.10156	5.4
99.04433	9.6
105.04511	4.1
105.07024	30.9
107.04945	28.0
107.08578	43.5
109.06508	24.6
109.10155	6.9
111.04428	12.1
112.21516	2.8
117.07015	29.6
119.08563	36.1
121.06518	8.5
121.10130	32.1
123.04446	3.9
123.08048	31.6
125.05998	5.3
129.06987	3.7
130.07776	7.9
131.08539	12.6
133.08569	6.3
133.10060	6.2
133.31027	2.6
135.07999	7.6
135.11699	44.7
137.09578	5.8
145.10121	55.3
147.08031	5.3
152.58176	2.9
153.12741	9.6
155.08559	6.1
163.11165	100.0
173.09622	13.8
177.08817	4.9
181.12195	12.0
191.10623	12.8
209.11711	23.7
227.12706	11.4
258.00308	3.3
283.15366	90.9
283.20486	4.7
284.33139	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	283.169
Annotation	Vedaprofen
Peak:m/z	Relative Intensity
53.71357	0.4
66.94908	0.5
69.83254	1.7
86.72869	0.5
98.23399	0.6
108.23795	0.5
122.42912	0.5
153.06987	3.4
153.25818	0.5
165.06914	4.4
166.07741	1.3
167.08525	2.7
178.07829	0.7
179.08548	3.5
180.09299	7.2
181.06450	7.0
181.09979	0.8
185.34128	0.5
189.06937	0.6
190.07750	2.0
192.09273	1.1
193.10138	3.3
194.07234	1.6
194.10866	1.9
195.08040	2.9
195.11658	15.3
196.11996	0.6
197.05939	1.0
197.09598	1.2
198.06737	2.1
199.07448	2.3
201.17546	0.5
203.08517	1.2
205.10060	3.1
206.07170	0.6
207.08060	5.5
207.11708	2.6
208.08807	10.6
208.12460	1.3
209.09564	2.2
209.13142	0.8
211.07523	4.5
212.08228	1.3
217.10098	0.9
221.09579	2.5
222.10364	6.3
222.13875	2.4
223.11142	43.1
224.11542	2.4
225.09064	18.7
225.12517	0.6
226.09637	0.9
235.11183	3.0
236.11938	2.1
237.12674	2.1
237.16347	7.3
239.07487	0.5
239.10600	3.4
240.11411	24.4
241.12172	12.4
249.12814	0.6
250.13428	2.5
253.12206	3.0
254.12926	5.7
255.13785	0.7
265.15863	19.1
266.15942	0.5
268.14545	5.6
283.16885	100.0
284.17270	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1691
Annotation	Vedaprofen
Peak:m/z	Relative Intensity
57.07043	0.4
60.08152	0.4
67.05463	0.3
70.13769	0.7
70.14113	0.5
79.05481	0.6
81.07034	0.7
89.06002	1.0
116.98655	0.4
133.08559	0.6
150.49921	0.3
152.06232	0.4
153.06976	2.9
157.04109	0.4
165.06970	3.5
166.07759	1.2
167.08546	2.4
169.06445	0.5
169.10132	0.5
177.08835	0.3
178.07738	0.7
179.08517	3.5
180.09326	4.6
181.06477	6.4
181.10014	0.7
182.07278	0.5
190.07693	1.7
192.09293	0.6
193.10086	2.1
194.07269	1.1
194.10776	1.8
195.08090	2.5
195.11668	13.0
196.12041	0.5
197.05946	1.3
197.09602	0.9
198.06699	1.6
199.07491	2.0
203.08463	0.4
205.10094	3.1
207.08026	3.8
207.11697	3.1
208.08783	8.2
208.12440	1.1
209.09578	1.9
209.13161	0.5
211.07480	3.5
211.11028	0.4
212.08266	0.8
215.10558	0.4
217.10089	0.7
220.08800	0.3
221.09618	2.7
222.10390	4.4
222.13922	2.4
223.11137	40.1
224.11630	2.1
225.09050	13.8
226.09674	1.0
232.12599	0.4
235.11134	2.9
236.11855	2.0
237.12732	2.5
237.16316	5.5
239.10591	3.1
240.11403	19.3
241.12181	11.6
242.12462	0.4
247.14807	0.7
249.12831	0.3
250.13420	2.7
253.12186	2.9
254.12967	5.2
255.13670	0.8
265.15833	18.2
266.16229	0.9
268.14554	4.6
283.16885	100.0
284.17224	4.5
284.33020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1692
Annotation	Vedaprofen
Peak:m/z	Relative Intensity
56.96208	1.1
64.51031	1.0
66.40999	0.9
66.47236	1.0
68.54359	0.8
69.11408	7.2
73.80874	1.1
74.54088	1.0
74.91999	0.9
79.86247	1.1
89.06015	1.5
121.36431	1.1
134.72829	1.0
153.07021	6.7
165.06964	8.1
166.07704	1.7
167.08549	4.7
169.10005	1.2
175.93694	1.1
177.08775	1.3
179.08582	5.8
180.09352	11.3
181.06477	10.9
181.09999	1.4
190.07790	2.9
193.10138	5.5
194.07248	3.2
194.10847	3.1
195.07982	4.3
195.11678	22.1
196.12001	1.3
197.05963	1.8
197.09624	2.2
198.06757	3.9
199.07501	2.0
203.08482	3.0
205.10107	5.5
207.08026	9.9
207.11703	4.3
208.08789	15.2
208.12354	2.6
209.09538	2.9
211.07597	5.0
211.11249	1.4
212.08342	2.2
213.09038	1.2
217.10246	1.1
221.09621	3.1
222.10364	8.6
222.14032	2.7
223.11156	54.1
224.11650	2.4
225.09061	31.5
226.09575	1.3
235.11176	6.2
236.11801	2.6
237.12651	3.4
237.16350	10.2
239.10709	5.3
240.11403	26.9
241.12186	12.0
250.13525	3.7
251.40672	1.1
253.12224	7.3
254.12946	7.8
265.15848	18.9
268.14490	7.0
272.96048	1.1
283.16895	100.0
284.17398	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	284.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80529	0.3
56.96563	5.0
57.03440	0.4
59.04987	0.5
61.02924	1.2
63.00000	0.3
69.03439	0.5
70.70679	0.5
71.04999	0.8
85.02895	0.9
87.04453	0.7
94.93006	1.4
96.92805	0.9
97.02887	1.0
97.17393	0.3
98.97577	11.5
100.97240	0.4
101.00869	1.3
105.05475	2.1
116.98620	8.9
117.05506	0.8
117.98977	0.4
119.01919	6.9
121.01672	0.3
123.98534	0.4
131.84544	0.3
134.99663	5.4
136.00108	0.3
137.01993	0.4
137.02950	1.8
150.07738	0.4
153.00746	0.9
158.99875	1.1
161.01228	0.4
172.94373	0.4
173.01239	0.4
174.97624	0.9
177.00943	14.1
177.02489	0.8
178.01079	1.2
178.93208	0.3
179.01253	0.3
182.99986	0.3
188.99179	0.4
190.95364	0.6
192.98718	1.2
195.01855	0.5
196.65695	0.3
201.00931	1.3
207.00327	0.3
216.98715	1.0
217.04054	3.2
219.01996	21.5
220.02116	2.0
221.00031	0.3
221.02190	0.4
224.08083	0.6
225.00844	2.3
232.53534	0.4
232.96397	0.8
233.03362	0.4
234.99815	1.1
236.00107	0.6
236.99736	0.5
243.01958	7.7
260.00064	1.7
260.04465	0.6
260.99832	4.5
261.03046	100.0
262.03217	7.9
277.01044	0.4
278.01193	0.7
279.00629	7.2
284.00113	2.5
284.04645	3.1
284.99893	0.5
302.01132	4.5
302.03928	0.6
303.00876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.9
55.01871	9.2
57.03436	8.4
57.03683	1.6
61.02923	8.5
66.11047	1.4
68.99774	4.3
69.03423	37.4
69.89034	3.7
71.04988	7.3
73.02901	12.9
81.03411	30.7
83.01331	1.6
85.02895	100.0
87.00817	47.8
87.04475	1.2
91.03961	1.8
97.02881	59.6
99.04433	17.1
101.02360	1.2
105.01853	59.5
108.04472	9.5
109.02178	2.4
109.02871	32.1
117.01836	4.8
121.02877	3.7
122.03198	3.4
126.05483	5.7
127.03899	91.4
128.04213	1.5
128.78667	1.3
129.01831	4.6
139.88167	1.1
145.04936	74.9
147.02863	3.2
147.22107	1.3
157.79289	1.3
159.02869	30.6
212.05379	1.3
213.03918	4.1
220.12102	1.3
230.06613	3.2
231.04945	20.2
242.10011	2.3
248.07600	4.8
249.05984	8.5
284.09985	1.9
284.21875	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70937	4.2
53.03911	3.9
56.15280	4.9
57.03434	6.5
61.02925	5.9
67.05512	9.3
69.03420	31.7
69.07050	4.9
69.83479	16.6
71.04979	7.9
73.02918	15.0
75.17344	4.2
76.04002	9.2
76.66769	4.2
81.03413	28.7
81.07047	7.1
85.02895	100.0
87.00809	34.1
92.17516	3.9
97.02874	48.7
98.23426	8.3
98.97593	6.2
99.04452	18.4
105.01856	45.2
105.07034	4.4
108.04449	6.4
109.02872	22.9
109.12010	4.7
109.95618	4.3
116.98588	4.9
119.08586	4.5
121.02873	10.7
122.03198	11.6
123.04451	6.1
127.03914	95.5
145.04968	62.0
159.02872	22.5
208.50026	4.0
221.05988	4.2
231.04964	22.1
248.07568	5.0
249.06099	6.8
253.08527	12.0
267.13748	6.0
284.09998	6.9
284.13348	5.2
284.29510	19.9
285.07614	5.0
285.14709	5.2
285.22214	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	284.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70920	2.4
53.03941	6.5
53.49652	3.0
54.30463	2.8
55.01864	10.6
57.03425	7.1
61.02923	7.9
65.10100	2.5
67.05510	4.4
68.99788	3.5
69.03427	41.0
69.07058	4.2
69.38811	13.3
71.04988	4.9
73.02911	13.4
74.75012	2.3
76.03996	13.1
81.03416	35.5
81.07070	3.4
83.01312	2.9
85.02898	100.0
85.55670	2.4
87.00817	44.1
91.03950	4.2
95.08645	3.6
97.02886	62.8
97.10150	2.5
98.23474	4.8
98.97565	3.4
99.04453	23.1
105.01857	58.3
108.04478	11.7
109.02862	33.5
114.84588	2.6
117.01817	4.6
121.10096	3.1
123.04417	6.0
126.05483	6.1
127.03905	95.6
129.01839	3.7
140.03357	2.7
145.04951	74.3
147.02904	3.2
159.02864	34.9
189.04074	3.2
210.56279	2.5
231.04968	29.6
248.07910	3.5
249.06096	8.5
284.11261	3.2
284.21997	2.8
284.29428	6.8
285.07529	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	284.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.6
60.08153	0.6
65.33822	0.4
67.79066	0.4
69.07045	1.5
70.83373	0.4
71.38065	0.5
83.08585	0.9
91.05476	0.5
92.67616	0.5
98.23332	0.5
105.06989	0.7
129.06926	0.5
131.08522	2.1
137.05914	0.9
141.06990	1.1
143.08493	0.5
144.05705	0.9
145.06467	19.0
147.07974	0.5
155.06027	0.5
155.08514	0.5
157.06465	8.0
157.10115	0.5
157.84879	0.5
159.08037	23.0
159.11618	0.7
160.08566	0.5
161.13214	0.5
167.08559	0.6
169.07581	1.1
169.10107	1.2
170.07289	1.1
171.08026	7.3
172.08478	1.1
173.09592	2.2
181.10162	0.6
183.07948	1.0
184.08842	2.0
185.09605	9.1
186.09950	0.5
187.07645	2.1
187.11157	48.9
188.11597	1.3
198.10388	4.1
199.11159	14.8
200.11937	2.3
201.09033	0.8
201.12732	7.4
202.13499	100.0
203.10724	0.6
203.13852	2.8
213.12714	37.5
214.13237	3.6
215.14297	1.8
216.15053	4.6
224.11519	1.5
227.14282	6.2
228.15016	0.7
240.47131	0.5
241.11855	0.5
241.15941	3.1
242.16226	0.7
266.16248	0.7
269.18970	10.7
284.17361	3.0
284.21301	31.7
284.29904	0.9
284.33078	2.2
285.18466	30.5
285.21542	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	Batatasin I
Peak:m/z	Relative Intensity
55.01828	1.1
55.05464	0.6
63.72108	0.4
67.05451	0.7
69.67173	1.7
70.06554	0.8
73.09171	0.4
79.05474	1.0
81.03363	1.7
81.03795	0.4
81.07026	0.8
83.04945	0.4
83.08560	0.7
91.05449	0.6
93.07001	0.4
95.04900	1.1
98.22768	0.9
100.11205	1.4
103.05467	0.7
105.07025	3.2
115.05391	1.8
121.02789	0.4
123.04337	0.5
129.06926	0.5
130.06480	0.6
131.04897	0.4
133.06429	1.5
137.05957	2.5
141.06905	0.8
146.03604	3.4
147.04387	0.5
152.06200	0.7
153.06987	2.9
154.07750	2.9
155.08456	0.6
161.05960	15.5
165.06982	31.8
166.07384	0.8
167.08530	0.9
177.06859	0.5
179.08493	0.6
181.06442	4.7
182.07251	11.0
183.07924	0.9
192.05602	1.3
193.06461	24.7
193.12192	0.6
194.07210	3.6
195.07922	0.5
197.05928	0.6
197.09575	0.7
207.08043	0.7
209.06000	2.2
210.06729	20.4
211.07430	2.7
213.05444	0.5
221.05940	29.4
222.06592	2.0
223.07516	0.7
225.09068	37.2
226.09386	1.3
227.06985	1.4
237.05406	0.9
237.16322	0.5
238.06174	8.9
239.06984	5.2
240.16020	0.4
241.08575	0.5
242.09265	0.5
243.06589	0.5
253.08559	100.0
254.09152	7.0
255.06554	1.4
257.08182	0.6
267.06415	1.0
267.10632	0.5
269.08005	0.7
270.08728	2.7
285.07867	1.6
285.11185	34.7
285.24103	1.7
286.11465	1.3
286.14270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1484
Annotation	1,3-Di-O-[2',2'-di-(p-phenylene) isopropylidene] glycerol
Peak:m/z	Relative Intensity
52.32869	0.8
62.16499	0.7
63.41633	0.9
69.96902	1.0
69.97223	1.7
74.80466	0.7
80.31217	0.7
81.07047	0.9
92.93521	0.8
93.78289	0.8
115.05510	1.1
119.08562	0.8
129.06998	2.5
141.06976	1.9
142.07777	2.6
143.04912	14.4
143.05980	0.5
143.08565	1.1
145.10056	1.1
153.06937	1.3
155.08530	2.3
157.10088	1.6
159.04407	2.2
165.06987	1.6
166.07779	1.5
167.08531	2.3
169.06508	1.2
169.10100	3.6
173.06039	1.0
175.11075	1.1
178.07773	0.7
179.08543	2.8
180.09433	0.9
181.10094	2.5
182.07391	0.8
183.04514	0.7
183.08049	2.2
185.09586	7.2
187.03891	49.4
188.04189	1.9
193.10115	1.5
195.07973	1.1
196.08702	1.1
196.12532	1.0
197.06027	1.5
197.09598	3.0
197.13181	0.9
201.05461	2.0
205.04915	1.3
206.10918	1.4
207.07948	1.8
209.09627	2.3
211.07536	9.2
211.14839	4.0
221.13155	2.1
223.07533	0.9
225.09074	5.7
225.12692	2.2
229.06290	1.8
229.08582	37.9
230.08882	1.3
234.10468	1.1
237.09102	3.4
238.09976	1.9
239.10635	2.0
239.14285	3.6
241.15886	1.0
247.09673	2.5
249.12740	3.0
252.11450	1.5
267.13788	38.5
267.21011	1.1
268.14063	1.6
285.14828	100.0
285.21994	4.0
286.15155	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	285.1485
Annotation	1,3-Di-O-[2',2'-di-(p-phenylene) isopropylidene] glycerol
Peak:m/z	Relative Intensity
64.54272	0.6
69.52139	2.2
82.06980	0.7
115.05441	1.0
124.53008	0.6
125.87712	0.6
128.06203	0.9
129.06989	1.2
131.93304	0.6
141.06995	1.5
142.07780	3.2
143.04915	12.3
143.08568	1.0
153.06987	1.2
154.07739	0.9
155.08553	3.3
157.10103	2.2
159.04393	2.0
165.06984	1.8
166.07736	1.3
167.08578	2.0
169.06552	0.7
169.10126	3.1
171.11740	1.2
175.11201	1.1
178.07829	0.9
179.08556	2.9
181.10057	1.8
182.10904	1.5
183.04398	1.0
183.08054	3.4
183.11520	0.8
185.09583	9.8
187.03891	49.9
188.04349	1.1
191.08563	1.6
193.10136	1.0
195.08047	1.0
197.05908	1.5
197.09624	2.1
201.05428	1.9
205.04890	1.4
206.10803	1.2
207.08044	2.7
209.05844	0.7
209.09602	2.2
210.06744	0.7
211.07513	8.6
211.14766	3.0
216.09343	0.7
219.07953	0.7
221.13344	1.5
223.11067	1.2
225.09108	7.9
229.08586	38.9
230.08844	1.6
234.10342	1.5
237.09119	2.2
238.09857	2.2
239.10600	1.1
239.14372	3.7
240.23311	0.9
247.09657	2.1
249.12755	4.7
252.11305	1.7
267.13785	33.5
268.14102	1.4
285.14835	100.0
286.15186	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91127	1.8
53.03929	5.5
55.01871	3.3
55.05507	25.3
57.03432	48.2
57.07074	3.0
60.08155	3.9
63.89673	1.9
65.03919	2.0
67.05497	35.6
67.05819	3.0
69.03428	6.8
69.07062	11.6
71.04993	11.3
79.05486	35.2
81.03411	85.7
81.07048	44.8
83.04973	17.5
83.08610	37.5
85.02896	88.3
85.06544	3.8
91.05468	38.3
93.07034	28.7
95.04960	40.3
95.08604	20.3
97.02917	2.4
97.06522	6.1
97.10167	4.1
99.04477	2.2
105.07014	38.1
107.04950	6.9
107.08585	11.0
109.06495	5.3
109.10162	3.9
111.04458	4.3
111.08072	25.5
113.05996	7.3
119.08564	29.0
121.06513	4.1
121.10146	15.2
123.08051	4.4
123.11699	5.5
125.09632	2.9
129.06987	13.1
131.08554	17.1
133.06464	3.2
133.10091	13.4
135.11737	2.0
137.09529	2.4
142.07751	4.8
145.10106	3.4
147.08026	3.4
147.11668	28.3
147.12732	2.9
149.09596	5.8
151.11118	2.2
157.10133	22.5
165.12749	5.7
173.13269	2.1
175.11172	26.3
186.69598	2.3
189.81589	2.2
193.12224	100.0
211.13268	81.7
231.43433	2.0
284.33099	13.7
285.16928	58.2
285.22147	6.9
285.25522	4.4
285.28922	2.0
285.33408	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	285.1848
Annotation	Methyltrienolone
Peak:m/z	Relative Intensity
55.05504	7.6
55.14556	2.0
57.07065	9.3
67.05515	3.4
69.07062	12.4
71.08624	3.6
81.07047	9.3
83.08618	4.2
93.07053	2.9
95.08586	4.2
97.10161	4.0
105.07040	3.6
107.08621	2.6
109.10135	4.9
115.05417	2.5
121.10171	3.1
128.06213	6.2
129.07005	5.1
131.08565	6.0
133.06462	3.4
133.10143	3.2
135.08023	3.9
141.06992	14.0
142.07745	6.3
143.08563	18.8
145.06494	6.0
147.08044	10.7
153.06981	5.0
154.07745	2.5
155.08534	19.9
156.09329	63.6
157.06499	3.3
157.10080	8.7
159.08054	13.5
161.09630	2.9
163.07553	5.0
163.11150	2.9
165.01759	2.7
165.06865	5.3
166.07759	6.8
167.08528	5.8
168.09294	13.9
169.06505	8.0
169.10086	14.5
171.08069	5.1
171.11670	51.4
173.09593	6.4
175.07603	2.5
175.11169	7.4
179.08540	3.8
181.10139	11.0
182.10922	8.8
183.08063	31.1
183.11671	61.0
184.08821	35.3
185.09642	3.5
185.13249	5.3
187.03909	2.8
187.07634	5.1
187.11197	7.7
189.12740	27.4
191.08681	2.7
192.09344	2.9
195.08093	4.4
195.11711	9.4
196.08861	4.3
197.09546	6.9
197.13232	36.0
199.11163	100.0
201.12769	27.4
203.14279	5.1
206.10759	2.8
207.11662	23.7
209.09648	14.0
209.13200	6.8
210.10440	4.5
210.14038	4.0
211.11076	12.3
211.14745	3.0
213.12698	3.8
215.10635	7.9
215.14336	8.4
219.11638	5.4
223.11261	3.2
224.12100	5.1
224.15627	3.9
225.12724	89.1
225.16397	8.4
229.08586	3.4
229.15829	7.3
234.13992	7.6
237.12737	6.3
239.17865	14.4
241.19566	2.7
243.13817	26.8
243.17497	3.1
249.16364	13.1
252.15065	3.6
267.13940	7.4
267.17419	60.6
284.32889	2.6
285.14859	22.5
285.18494	45.7
285.22095	33.3
285.29688	4.7
286.22226	2.7
286.31036	7.3
293.45435	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	Pisiferin
Peak:m/z	Relative Intensity
50.91627	2.2
55.05503	14.2
57.07064	3.6
58.27277	2.1
59.78058	2.2
60.08152	2.2
67.05492	3.1
69.07063	16.9
70.55772	2.3
79.05492	1.9
81.07043	4.0
82.01344	2.0
83.08605	7.9
83.55753	2.2
85.10155	4.2
86.08567	1.9
91.05510	2.0
93.07035	2.3
97.10153	8.3
105.06998	3.0
107.04935	4.6
109.10147	2.4
111.07975	2.3
117.06991	2.9
119.08601	2.3
123.11688	3.1
123.14405	2.3
123.24339	2.0
131.04906	2.5
131.08514	3.3
133.06520	10.3
145.06491	19.4
145.10147	2.7
147.08023	30.7
149.09573	6.7
155.08562	4.4
157.07666	2.9
159.08026	35.3
161.09538	11.0
167.37498	2.1
169.07623	2.8
173.09578	13.4
175.11163	19.5
185.09644	3.7
186.10410	6.2
187.11186	25.4
189.12717	100.0
190.03944	2.1
194.42752	2.4
201.12718	84.6
202.13051	3.5
203.14307	11.6
215.14317	26.0
227.11905	2.0
227.14272	3.8
229.15852	28.4
243.17422	17.7
255.11192	4.3
285.18869	4.0
285.22095	71.9
285.33380	12.5
286.22375	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	285.221
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
55.05508	11.5
57.07068	6.0
57.07833	0.9
59.04999	1.3
61.84449	0.8
67.05498	12.4
69.07058	19.7
70.39488	1.9
71.04971	0.9
79.05497	7.0
81.07047	28.6
83.04971	2.8
83.08604	4.3
91.05468	8.1
93.07034	11.2
95.08600	21.3
97.06512	1.5
97.10140	3.9
105.07019	18.0
107.08585	15.2
109.06513	2.3
109.10141	16.3
111.11709	2.8
112.57883	0.8
115.05402	1.1
117.07011	4.4
119.08575	20.1
121.06491	2.0
121.10130	10.4
123.08060	4.2
123.11687	4.3
125.13216	1.3
128.06168	0.9
129.07008	3.4
131.08542	8.6
133.06468	2.0
133.10123	12.4
135.08041	29.1
135.11671	6.5
137.09612	1.3
142.07762	2.9
143.08536	5.8
145.06464	2.6
145.10110	14.2
146.07129	1.3
147.08058	4.9
147.11642	7.9
149.09596	6.0
149.13229	4.8
151.11093	1.1
155.08525	3.1
156.09332	3.2
157.10091	8.5
158.07262	1.5
159.08043	6.5
159.11681	14.0
160.08810	3.3
161.09604	26.2
161.13225	5.9
163.11168	2.2
163.14803	2.7
169.10103	5.1
170.10748	1.5
171.11662	7.7
172.08763	2.7
173.09608	9.3
173.13225	8.5
174.10359	1.3
175.11159	24.0
175.14719	1.8
177.12740	3.8
183.11673	5.8
185.13228	4.7
186.10397	1.8
187.07541	1.3
187.11151	16.5
187.14726	5.1
188.11714	1.0
189.12721	17.0
191.14304	2.4
197.13245	6.3
199.11177	2.1
199.14825	4.2
200.11996	1.6
201.12715	13.5
201.16411	3.5
203.14250	4.6
211.14798	9.1
213.16359	3.9
215.14270	15.6
215.17847	1.7
217.15831	1.5
225.12819	1.4
225.16360	2.3
227.17935	5.0
229.15837	8.3
239.17860	1.4
241.19621	1.5
243.17377	2.6
243.21066	1.1
257.22690	6.6
267.18005	1.7
267.21008	14.9
268.21359	1.0
285.18927	3.3
285.22086	100.0
286.22485	5.9
286.31064	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	Pisiferin
Peak:m/z	Relative Intensity
51.36660	0.6
53.03969	0.7
55.05507	11.8
57.07074	4.6
67.05494	0.9
67.69740	0.7
69.06706	1.4
69.07062	16.4
69.82281	2.1
71.40199	0.8
79.16501	0.8
81.07025	0.8
83.08613	6.6
85.10157	2.0
91.05447	1.5
93.44142	0.7
95.08614	1.4
97.10165	8.6
102.12605	0.6
105.07030	1.4
107.04950	3.0
109.10112	0.9
115.05431	0.8
119.08529	1.1
121.06409	0.9
123.11674	1.4
131.04900	1.7
131.08546	3.5
133.06490	8.5
135.07988	0.9
141.06999	2.5
142.18893	0.7
143.06026	0.9
144.05673	2.0
145.06471	14.0
145.10120	1.1
146.07298	1.2
147.08035	27.9
148.08305	0.8
149.09613	7.1
155.02696	0.7
155.06020	0.7
155.08577	2.0
157.07578	2.8
158.07268	2.6
158.95265	0.7
159.06737	1.5
159.08040	27.1
160.08519	1.1
161.09598	7.8
163.11171	1.8
166.48799	0.8
169.07613	1.9
169.10107	1.3
171.07932	1.3
171.09222	1.2
173.09590	13.3
174.10085	0.9
175.11176	18.9
176.11575	0.9
177.12769	2.4
183.09113	1.2
185.09619	2.6
186.10365	4.3
187.11165	22.7
189.12726	100.0
190.13095	2.8
191.14229	0.8
199.11215	2.1
200.12033	1.0
201.12732	79.5
202.13080	2.5
203.14302	12.1
215.14291	23.6
216.14603	1.0
217.15726	0.8
225.16440	1.2
227.14328	1.4
229.15851	31.1
230.16158	1.1
242.16592	1.1
243.17441	15.2
253.17072	0.9
285.18878	2.7
285.22095	73.5
286.22641	3.9
286.30875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
54.49714	3.5
55.05509	7.7
57.07061	4.9
59.43470	2.8
59.94994	3.0
60.08158	8.8
67.05503	12.7
69.07063	13.4
70.88264	3.4
70.98502	2.8
79.05490	7.4
81.07050	33.7
83.04971	11.1
83.08597	5.0
91.05485	11.5
93.07027	16.7
95.08577	20.3
95.13030	2.7
97.10167	4.5
105.07029	27.2
107.08582	31.3
109.10153	23.8
117.06987	4.8
119.08569	33.4
121.10119	17.8
123.08079	6.8
123.11732	5.7
129.07007	4.7
131.08583	12.0
133.10147	10.1
135.08031	3.9
135.11760	4.1
143.08556	6.3
145.10118	21.5
147.08060	9.0
147.11679	24.2
147.88164	3.4
149.09610	5.4
149.13252	8.0
155.08553	8.0
157.10147	8.9
159.08083	8.5
159.11710	20.3
161.09615	6.7
161.13268	11.0
163.11171	7.1
163.14909	5.0
164.92096	10.4
169.10158	4.0
171.11703	9.0
173.05936	4.6
173.13240	10.9
175.11226	7.3
175.14828	4.8
177.12759	6.4
183.11749	4.5
187.11205	8.9
187.14799	5.8
189.12761	30.4
189.26152	4.0
191.14304	11.7
197.13184	6.7
199.14795	11.2
201.12701	23.0
201.16403	4.9
211.14774	6.6
215.10732	4.1
215.14322	10.5
225.16289	6.6
229.15874	16.9
241.19588	3.9
243.13757	4.2
243.17412	7.9
243.21028	3.8
257.19019	3.2
258.06952	3.9
267.13782	5.5
267.17456	4.1
267.20999	16.3
285.14890	14.4
285.18491	21.0
285.22128	100.0
285.33395	25.2
286.21851	9.4
286.31110	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	285.2212
Annotation	Pisiferin
Peak:m/z	Relative Intensity
55.05510	15.2
57.07047	4.7
63.69471	1.5
67.05498	2.4
67.60428	1.6
69.06763	2.0
69.07066	22.3
81.07033	3.2
83.08603	8.6
91.05475	3.3
93.07021	4.1
95.08581	2.8
97.10147	7.5
100.11291	2.1
105.07002	4.6
107.04910	3.5
107.08544	1.8
109.10168	2.7
115.05447	1.8
117.07014	3.1
119.08569	2.5
121.06492	1.8
121.10143	2.5
123.04431	3.1
129.06937	2.3
131.08559	7.6
133.06493	13.2
141.07018	4.7
143.08531	2.0
144.05740	1.9
145.06458	19.4
145.10069	4.2
146.07217	1.7
147.08035	35.0
149.09616	10.7
155.08507	3.5
157.06448	3.1
157.07643	6.0
158.07166	3.3
159.08044	38.3
161.09555	10.4
163.11151	1.8
165.06981	2.3
169.07582	3.2
169.10124	2.4
172.08856	2.3
173.09564	15.5
175.11198	23.0
177.12711	4.2
183.11682	2.8
185.09586	3.4
186.10391	5.3
187.11185	29.4
189.12737	100.0
190.13078	2.5
193.06332	1.8
199.11192	2.0
201.12738	96.8
202.13116	4.0
203.14264	15.6
215.14305	29.8
225.09114	3.1
229.15862	35.1
243.17400	16.9
253.08562	7.4
285.07593	4.6
285.11142	5.6
285.15256	3.3
285.18585	6.6
285.22079	85.4
286.22375	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	286.0919
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03965	0.3
56.96571	0.4
57.03419	0.3
69.03423	0.9
69.11730	0.7
69.12164	0.8
72.04507	0.4
73.02898	0.3
75.49974	0.2
78.03458	2.1
80.05004	3.3
81.03421	1.6
85.02898	3.9
90.77376	0.2
91.31761	0.2
96.04478	3.2
97.02884	1.1
98.97569	0.8
99.04445	0.8
106.02902	12.9
109.02854	1.5
116.98631	0.4
117.73723	0.2
124.03938	100.0
125.04284	1.5
127.03905	1.3
130.93240	0.4
134.99547	0.3
139.63522	0.2
172.94246	0.5
177.01935	0.3
190.95351	1.1
208.96414	0.7
232.96346	1.4
240.23065	0.4
250.07106	5.1
250.97568	0.5
268.08124	2.6
280.94919	0.3
286.09177	33.3
287.05402	0.8
287.11276	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
53.03964	0.3
55.36419	0.2
56.96555	1.0
57.03431	0.4
59.49942	0.2
69.03422	0.4
72.04522	0.3
73.02898	0.3
78.03436	1.6
78.72869	0.2
79.04217	0.2
79.36256	0.2
80.05012	3.0
81.03393	0.8
85.02885	2.3
96.04488	2.1
97.02859	0.4
98.97562	1.6
101.00907	0.2
102.96854	1.2
106.02901	7.0
106.03587	0.4
107.82143	0.2
109.02863	0.8
116.98588	1.2
120.08120	0.3
120.97917	1.0
124.03940	100.0
125.04265	1.5
127.03918	0.9
130.93289	0.9
134.99661	0.7
138.98927	0.6
157.49492	0.2
172.94354	0.8
179.00703	0.4
190.95372	2.8
208.96425	1.2
209.83101	0.2
219.01114	0.2
221.01701	0.9
232.96414	1.9
240.23454	0.2
245.01743	0.3
250.07130	2.1
250.97479	0.8
262.93652	0.2
262.98959	0.5
263.02856	3.3
268.08154	1.2
280.94870	0.3
281.00229	0.6
286.03708	2.1
286.09180	26.0
287.06097	0.3
287.11050	6.6
304.04663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3102
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05498	0.8
57.07072	12.9
58.06602	2.1
61.25074	0.3
61.69679	0.3
62.06085	7.1
67.05501	0.4
69.07052	1.2
69.53568	1.0
70.44511	0.3
71.08264	0.5
71.08626	5.7
72.08151	3.9
81.07035	0.8
85.10170	2.9
86.06076	0.6
87.04449	0.4
88.07642	0.5
90.09195	3.4
95.08599	1.0
105.07001	0.5
107.08577	0.4
119.08581	0.4
135.08041	0.9
137.05968	0.7
138.95840	0.3
140.51373	0.3
146.10527	0.4
148.08324	0.3
148.48041	0.3
151.31856	0.3
159.08012	0.4
162.09804	0.3
164.08359	0.9
185.07375	0.3
188.11545	0.6
189.12784	0.4
190.13057	0.9
198.44255	0.4
202.13083	0.7
203.10651	0.3
230.24681	0.3
268.29932	4.1
269.30118	0.3
286.22403	2.2
286.31015	100.0
287.16733	0.6
287.20023	15.0
287.23102	0.6
287.31277	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	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03937	0.2
58.82156	0.1
65.03930	0.4
65.04235	0.1
67.01838	0.5
67.05507	0.2
68.75990	0.1
68.99782	2.5
69.03418	0.3
69.07040	0.1
69.18182	0.3
69.18607	0.4
71.01373	0.1
77.03933	0.1
79.05492	0.8
79.76952	0.1
80.70248	0.1
81.03412	0.4
81.07040	0.2
91.05479	0.3
93.07034	0.2
95.04974	0.5
95.30456	0.1
97.02910	0.2
98.22701	0.2
103.05459	0.3
103.81328	0.1
105.03394	1.1
105.04527	0.2
105.07032	0.1
107.04951	1.4
107.08588	0.1
109.02852	1.2
109.10146	0.1
111.00800	1.9
111.04420	0.6
115.05465	0.2
117.07024	0.3
119.04919	0.2
119.08598	0.2
121.02858	7.8
121.03938	0.6
121.06426	0.1
127.03876	0.2
128.06261	0.2
129.06982	0.5
133.02837	1.1
133.06502	0.1
135.04390	0.4
136.01477	0.1
137.02318	2.3
139.05450	0.1
141.06949	0.4
145.06485	0.6
145.07401	0.1
147.04381	1.9
147.06857	0.1
147.08034	3.1
149.09604	1.5
153.01810	12.1
154.02161	0.2
157.06474	1.7
160.05157	0.1
160.55540	0.1
161.02371	0.1
161.05968	0.6
165.01813	4.1
166.02475	0.1
169.06442	0.2
171.04372	0.7
173.05920	0.1
175.03893	0.2
175.07423	0.1
177.87910	0.1
183.02881	2.0
183.04405	0.2
185.05951	1.3
189.05450	0.3
197.05989	0.4
199.03854	0.1
203.03386	0.4
203.06996	0.4
213.05437	3.4
216.04192	0.3
217.04982	0.2
229.04892	0.5
231.06470	1.3
241.04936	1.8
243.06438	0.2
245.04515	0.2
257.04291	0.1
258.05219	2.7
259.06039	1.0
269.04401	0.5
287.05460	100.0
287.19870	1.8
288.05783	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.1
64.91902	0.1
65.03918	0.6
67.01858	0.3
67.05501	0.3
68.28874	0.1
68.99782	2.4
69.03417	0.2
71.01337	0.1
77.03915	0.2
79.05482	0.6
81.03407	0.4
81.07060	0.1
91.05460	0.5
93.07038	0.3
94.06548	0.1
95.04979	0.6
97.06506	0.1
98.23453	0.4
103.05482	0.2
105.03377	0.6
105.04507	0.1
107.04952	1.4
108.08151	0.2
109.02864	0.7
111.00795	1.5
111.04431	0.3
115.05434	0.2
117.06996	0.2
119.04945	0.3
121.02858	6.3
121.03899	0.4
122.06006	0.6
124.07550	0.3
127.03897	0.3
128.06253	0.1
129.07004	0.5
133.02850	1.0
133.10115	0.1
135.04398	0.3
136.07564	8.7
137.02333	2.6
139.05371	0.1
140.07062	0.1
141.06952	0.2
145.06506	0.6
147.04391	1.4
149.02328	0.2
151.03838	0.2
152.07063	0.7
152.08185	0.1
153.01810	11.6
154.02132	0.1
157.06473	1.4
161.05917	0.4
164.07056	6.4
165.01811	3.7
165.03169	0.2
165.07399	0.1
169.06543	0.2
171.03014	0.2
171.04298	0.7
175.03937	0.2
175.07535	0.1
183.02885	1.7
185.05960	1.3
189.05432	0.3
197.05959	0.4
199.03790	0.2
201.05510	0.2
203.03296	0.2
203.07083	0.2
203.44881	0.1
212.04561	0.1
213.05441	3.2
217.04977	0.2
229.04863	0.4
230.05627	0.2
231.06458	1.3
241.04924	1.8
242.05653	0.2
242.76129	0.1
243.06477	0.2
245.04356	0.1
258.05209	2.2
259.06036	0.7
269.04300	0.3
287.05460	100.0
288.05807	3.8
306.97720	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Kaempferol
Peak:m/z	Relative Intensity
52.34995	0.1
62.85465	0.2
65.03938	0.5
67.01862	0.5
68.99430	0.2
68.99787	2.8
69.03419	0.3
70.94043	0.2
79.05489	0.8
81.03409	0.5
84.88302	0.2
88.14748	0.2
91.05442	0.2
93.03385	0.2
95.04949	0.6
103.05496	0.2
105.03373	1.1
107.04948	1.3
109.02870	1.2
111.00803	1.6
111.04456	0.7
115.05441	0.3
117.07010	0.1
119.04880	0.2
121.02856	8.8
121.03798	0.3
127.03918	0.2
128.06190	0.2
129.07001	0.3
133.02809	1.0
135.04356	0.3
136.07574	0.9
137.02319	2.8
141.06950	0.3
145.06474	0.6
147.04402	1.6
150.20927	0.2
153.01814	12.7
154.02190	0.2
155.05971	0.2
157.06485	1.5
157.07695	0.2
161.05972	0.5
164.07060	0.5
165.01834	4.5
166.02328	0.2
169.06462	0.2
171.04353	1.0
175.03928	0.2
175.07567	0.2
183.02887	1.8
185.05956	1.6
186.37238	0.2
189.05461	0.4
197.05946	0.5
199.03922	0.2
203.03418	0.2
203.06973	0.4
213.05466	4.3
213.07532	0.2
214.06152	0.1
216.04276	0.3
229.04997	0.5
230.05731	0.2
231.06462	1.4
241.04912	1.9
243.06500	0.2
245.04500	0.2
258.05225	2.8
259.05994	1.0
263.54865	0.2
269.04443	0.4
287.05466	100.0
288.05795	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	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
55.01866	0.2
65.03933	0.4
67.01859	0.3
68.99785	2.4
69.03421	0.3
70.48911	0.1
70.49238	0.1
79.05492	0.8
81.03397	0.2
95.04955	0.5
97.02864	0.1
103.05487	0.2
105.03362	1.0
105.06994	0.1
107.04950	1.3
109.02892	0.7
111.00807	1.5
111.04427	0.5
115.05460	0.2
117.07061	0.1
119.04948	0.2
121.02856	6.7
121.03929	0.5
121.06461	0.1
127.03922	0.2
128.06216	0.3
129.07002	0.4
131.04880	0.1
133.02841	0.9
135.04375	0.3
137.02327	2.4
141.06990	0.2
143.04932	0.2
145.06476	0.7
147.04379	1.3
153.01814	10.7
154.02122	0.1
157.06462	1.4
161.05984	0.4
161.93031	0.1
165.01822	3.4
169.06456	0.1
170.01955	0.2
171.01357	0.2
171.04352	0.7
175.03964	0.1
175.07581	0.1
183.02882	1.6
185.05960	1.1
189.05502	0.3
195.07994	0.3
197.05885	0.5
199.03845	0.1
203.03363	0.2
203.07037	0.2
213.05438	3.3
216.04123	0.2
227.10670	0.1
229.04939	0.3
231.06470	1.3
241.04907	1.5
243.06581	0.2
245.04491	0.2
255.10075	0.2
258.05215	2.0
259.06006	0.9
269.04434	0.3
274.95697	0.1
287.05460	100.0
288.05804	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	287.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38200	0.8
55.74691	0.8
63.00018	1.2
69.72604	2.8
70.06549	0.9
72.08131	0.9
78.77986	0.8
82.99853	2.1
98.22741	1.2
98.97564	1.9
98.98434	2.4
101.00865	14.2
105.00934	0.8
115.05442	2.6
116.98546	0.9
117.05741	2.3
118.06491	1.0
119.01908	100.0
120.02005	3.5
124.99965	1.4
130.03464	1.4
130.06526	9.2
132.08078	38.3
134.99648	1.0
137.02946	51.5
138.03023	1.2
142.03484	1.3
142.06512	2.4
170.05986	5.0
172.94336	0.9
174.02484	1.3
190.95354	2.6
202.07092	2.6
203.03404	0.9
208.96439	1.8
218.06567	5.9
220.08234	4.8
226.03830	1.0
226.07056	2.8
227.06696	0.9
232.96358	1.7
235.04362	1.1
242.06488	3.5
244.08151	26.5
245.08246	1.5
260.07642	4.2
262.09250	6.2
270.06076	37.8
271.06244	2.9
272.61212	0.9
280.27316	0.8
287.05490	1.5
287.08655	7.4
287.11517	6.4
288.07104	36.1
289.07339	2.5
305.09756	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26278	0.5
56.96567	3.9
63.00035	1.0
67.07018	0.5
70.06578	0.5
70.12910	0.6
70.13238	0.9
72.08179	0.5
73.86439	0.4
76.94121	0.5
77.48314	0.4
80.45220	0.5
84.08130	1.2
87.77448	0.5
98.97571	5.3
98.98476	1.0
102.96865	1.8
105.50562	0.5
110.07159	1.4
116.98615	3.9
119.01912	1.3
120.01992	0.8
120.97894	2.2
121.01714	1.2
124.03935	3.5
125.04288	2.5
125.07887	1.1
128.98621	0.6
130.93301	3.6
134.99669	2.3
138.98938	1.3
139.02652	0.5
146.99646	0.7
151.09460	0.4
151.29378	0.5
153.00676	0.8
172.94316	3.9
177.00923	0.7
179.00775	1.5
180.00772	1.7
190.95389	10.0
192.98756	0.6
195.38460	0.5
208.96437	4.5
214.09726	1.6
214.95403	1.1
216.98689	1.6
219.00174	0.7
219.02045	1.3
220.01996	0.6
221.01860	2.4
221.05011	1.2
222.01945	2.9
232.96436	8.4
233.96994	0.5
234.99777	1.5
236.26161	0.6
245.01753	1.2
246.01920	1.4
250.97470	4.3
260.10239	0.6
262.93762	0.8
262.99612	1.1
263.02744	8.2
263.99258	0.8
263.99799	1.0
264.03006	16.2
265.02643	2.2
280.95007	1.2
282.00424	1.3
287.10992	100.0
288.11496	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.5
70.23896	0.5
71.15905	0.7
74.64925	0.5
85.44496	0.6
92.80164	0.5
97.03195	0.6
98.97565	1.6
130.93228	1.1
172.94366	2.4
181.77168	0.5
190.95369	3.0
214.95334	0.6
232.96431	2.2
233.13382	0.6
250.97543	1.3
287.10989	100.0
288.11292	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2002
Annotation	Cannabidivarin
Peak:m/z	Relative Intensity
55.05505	0.8
55.13029	0.2
56.05022	0.5
56.59150	0.1
57.07070	3.4
57.80940	0.1
58.06582	0.2
58.37624	0.1
61.75695	0.1
67.05497	1.1
69.07068	1.5
70.06580	2.2
71.08630	1.5
74.06075	1.3
79.05475	0.7
80.94855	0.1
81.07047	3.9
83.08611	0.4
85.10176	0.7
88.07622	6.8
91.05460	0.6
93.07034	1.2
95.08592	1.9
97.10133	0.3
97.18831	0.1
98.23528	0.3
105.06991	0.8
106.08656	4.9
107.08582	0.8
109.06525	0.3
109.10123	0.9
117.06987	0.3
117.96529	0.2
119.08594	1.1
121.06472	1.2
121.10149	0.8
123.08035	0.3
123.11716	1.0
128.06294	0.1
131.08545	0.5
133.06471	0.3
133.10114	0.2
135.08044	0.8
135.11687	0.2
136.08813	1.9
137.05962	6.1
137.13240	0.4
143.08534	0.5
145.06436	0.3
145.10103	0.7
147.08037	0.5
147.11684	0.3
149.05974	0.3
149.09697	0.2
149.13234	0.3
151.07509	1.4
157.06479	0.2
157.10091	0.6
159.08076	0.9
159.11737	0.4
161.09680	0.4
163.07549	0.8
164.08316	6.9
165.09091	1.0
170.10895	0.3
171.08008	0.4
171.11636	0.4
173.09599	0.7
173.13344	0.2
175.07536	0.3
175.11153	0.3
176.08275	0.2
177.09106	1.8
185.09613	0.6
185.13182	0.3
187.07550	1.4
187.11066	0.3
189.09062	0.8
191.10619	0.4
198.10275	0.2
199.11171	0.7
201.09010	0.2
203.10646	4.8
204.11142	0.3
215.10680	1.2
216.11293	0.2
217.12306	0.2
217.15804	0.2
227.14180	0.2
229.12193	0.4
242.24724	1.0
245.15431	0.2
257.15158	0.2
270.24344	0.2
272.17715	1.4
287.20013	100.0
288.20377	4.7
288.25342	4.3
288.28928	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	287.2001
Annotation	Cannabidivarin
Peak:m/z	Relative Intensity
52.02506	0.2
53.79278	0.2
55.05494	0.6
57.07067	0.4
58.11831	0.2
67.05493	0.8
68.47472	0.2
69.07061	1.6
72.55943	0.2
79.05485	0.4
81.06623	0.3
81.07056	3.3
83.01327	0.4
83.08592	0.2
87.04465	1.3
88.07632	0.5
91.05434	0.2
91.47184	0.2
93.07063	1.0
95.08602	1.8
96.42147	0.2
96.79328	0.2
98.41833	0.2
105.07008	0.5
107.08582	0.9
109.06499	0.3
109.10158	0.8
119.08536	0.5
121.06506	1.0
121.10130	0.5
123.11699	0.6
131.08508	0.3
135.08022	0.5
136.08871	1.3
137.05965	5.7
143.08592	0.2
145.10065	0.3
147.08060	0.2
151.07523	2.3
159.08102	0.3
163.07501	1.6
164.08313	2.5
165.09103	1.1
170.10922	0.4
175.07545	0.7
176.08382	0.4
177.09081	2.6
187.07468	1.2
189.09082	1.1
190.95270	0.2
191.10652	0.8
203.10645	4.4
215.10654	1.5
216.11418	0.2
217.12131	0.3
218.79240	0.2
228.23299	0.6
229.12263	0.5
232.96474	0.2
253.63387	0.2
272.17642	1.6
281.12973	0.2
287.20023	100.0
288.20367	4.9
288.25177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2003
Annotation	CHEBI:70567
Peak:m/z	Relative Intensity
55.05506	0.3
67.05496	0.5
69.07056	0.9
69.93157	0.7
79.05509	0.3
81.07034	2.6
83.08606	0.3
93.07020	0.6
95.08569	1.2
98.23360	0.3
107.08573	0.6
109.10127	0.5
119.08598	0.3
121.06476	0.5
121.10160	0.3
123.11665	0.6
131.08516	0.3
135.08009	0.5
136.08806	1.4
137.05952	5.0
143.08504	0.2
145.06474	0.3
147.08084	0.4
149.06050	0.3
149.90439	0.2
151.07471	0.7
157.10109	0.4
159.08025	0.9
161.09612	0.3
163.07545	0.5
164.08302	5.3
165.09042	0.9
170.10951	0.3
171.11719	0.3
173.09612	0.4
177.09035	1.4
187.07509	1.0
189.09056	0.5
199.11169	0.6
200.02243	0.3
203.10623	4.2
215.10698	1.0
244.57402	0.3
272.17661	1.4
287.20004	100.0
288.20346	5.9
298.55341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2003
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.03928	0.4
55.05493	1.2
61.40092	0.2
67.05499	2.8
69.03417	0.9
69.07075	0.6
73.01589	0.2
75.54626	0.2
79.05481	2.3
81.07047	1.8
82.62828	0.2
83.08611	1.1
89.71416	0.2
91.05473	4.8
92.05787	0.3
93.07037	3.3
95.04935	0.4
95.08609	1.7
95.35134	0.2
103.05470	0.6
105.03365	0.2
105.07017	2.5
107.08570	2.0
109.06498	0.3
109.10140	2.2
115.05512	0.4
117.07024	1.5
119.08573	4.7
121.06490	0.8
121.10095	0.3
128.06200	0.4
129.06985	0.7
131.08542	1.1
132.05695	0.5
133.06505	2.2
133.10086	0.7
134.07187	0.4
135.08029	1.0
135.11697	0.6
143.08565	0.4
145.06499	0.4
145.10130	0.6
147.08032	100.0
148.08350	2.4
149.09601	48.9
150.09927	1.4
158.07283	0.6
159.08066	1.2
161.09575	3.2
163.11238	0.4
171.08067	0.3
173.09627	3.0
175.11180	1.2
184.08794	0.4
185.09647	0.3
185.13112	0.3
187.11205	1.4
195.08063	0.4
199.11165	0.9
201.12706	0.4
213.12672	0.4
225.12747	0.6
227.18040	0.3
239.14339	0.3
239.18010	0.3
241.15836	0.3
254.16568	0.6
257.18936	0.7
269.19046	1.0
287.20016	73.0
288.20364	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	287.2004
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
50.87074	0.2
51.90179	0.2
53.03939	0.3
54.71212	0.2
55.01871	0.3
55.05507	1.0
65.03934	0.3
67.05502	2.6
69.03423	0.8
69.07065	1.2
69.19204	0.7
69.19608	0.3
77.03928	0.2
79.05492	1.9
81.07048	2.2
83.04990	0.3
83.08633	0.3
91.05475	6.8
93.07042	3.6
94.07372	0.2
95.04968	0.4
95.08600	4.3
97.10148	0.6
103.05463	0.6
105.07025	3.0
107.04919	0.3
107.08591	2.2
109.06516	0.3
109.10147	4.8
110.10464	0.2
115.05435	0.7
116.06238	0.3
117.07018	1.8
119.08575	6.2
121.06484	1.1
121.10131	0.9
123.08070	0.4
123.11688	1.6
127.16170	0.2
128.06232	0.7
129.07034	1.3
130.07808	0.4
131.04965	0.2
131.08548	1.0
132.05692	1.1
133.06493	2.9
133.10126	4.1
133.11133	0.2
135.08061	1.3
135.11649	0.7
141.07051	0.3
143.08540	0.4
144.05685	0.3
145.06462	0.6
145.10095	0.4
146.07272	0.4
147.08040	100.0
148.08560	3.0
149.09605	52.7
150.09940	1.6
155.08536	0.4
157.06462	0.4
158.07253	0.7
159.08022	2.2
161.09607	2.4
163.11180	1.6
166.07793	0.2
171.08047	1.7
172.08859	0.3
173.09608	5.5
175.11201	1.1
184.08875	0.3
185.09567	1.5
186.10350	0.3
187.11197	1.5
198.10371	0.3
199.11166	2.6
200.11752	0.2
211.11145	0.3
213.12704	1.5
227.14229	0.5
239.14198	1.0
254.16620	0.7
269.18985	0.8
287.05563	0.8
287.20029	81.1
288.20355	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2005
Annotation	Cannabidivarin
Peak:m/z	Relative Intensity
52.77823	0.1
55.05505	0.7
57.07052	0.2
62.61313	0.1
62.79482	0.1
65.18268	0.1
67.05499	1.2
68.25392	0.1
69.07059	1.6
69.77171	0.2
69.77530	0.2
70.08869	0.1
70.74494	0.1
79.05476	0.8
79.20590	0.1
81.07050	4.1
83.01321	0.3
83.08592	0.4
88.07603	0.1
91.05470	0.5
93.07030	1.8
95.04986	0.2
95.08595	2.7
96.08947	0.1
97.06506	0.1
97.10152	0.2
105.07002	1.1
107.04985	0.1
107.08580	1.4
109.06514	0.3
109.10150	1.0
115.74319	0.1
117.07018	0.2
119.08559	0.8
119.16686	0.1
121.06489	0.8
121.10124	2.1
123.08047	0.3
123.11686	1.2
125.05936	0.1
129.06982	0.1
131.08548	0.2
133.10121	0.3
135.08051	0.7
135.11661	0.3
136.08820	1.7
137.05962	6.5
137.09567	0.2
137.13242	0.3
143.08485	0.2
145.10092	0.4
147.07982	0.2
147.11653	0.3
149.06004	0.2
149.09608	0.4
149.13268	0.8
151.07516	2.2
152.07802	0.1
155.08577	0.1
157.10106	0.2
159.08046	0.3
159.11664	0.3
161.05969	0.1
161.09637	0.2
161.13258	0.3
162.06781	0.1
163.07532	1.7
163.11143	0.3
164.08313	2.4
165.09116	1.3
165.12733	0.2
169.10043	0.1
170.10876	0.6
171.11607	0.1
173.09633	0.2
173.13251	0.1
174.06699	0.2
175.07532	0.9
175.11168	0.2
175.14755	0.2
176.08263	0.5
177.09088	3.1
187.07523	1.6
187.11157	0.2
188.08189	0.3
189.09117	1.0
190.09868	0.4
191.10616	0.9
191.14207	0.1
199.11147	0.2
199.14674	0.1
201.09071	0.3
202.09842	0.2
203.10649	5.1
204.11182	0.3
205.12189	0.3
213.16420	0.2
215.10641	1.6
216.11375	0.3
217.12215	0.5
229.12129	0.4
231.13742	0.2
245.11742	0.1
257.15317	0.4
269.22583	0.5
271.16980	0.1
272.17670	1.8
273.18094	0.1
287.20010	100.0
288.20349	5.2
288.28809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2003
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
55.01864	0.4
55.05497	1.0
62.02599	0.2
67.05492	2.3
68.99780	0.4
69.03413	0.7
69.07051	0.6
69.19909	1.5
71.66813	0.2
79.05482	2.4
81.07042	1.7
83.08604	0.8
84.57375	0.2
91.05468	5.3
93.07026	3.3
95.04942	0.7
95.08591	2.2
97.10217	0.2
98.22693	0.5
103.05467	0.4
105.03398	0.3
105.04506	0.3
105.07011	2.2
107.04932	0.8
107.08571	1.8
109.06413	0.3
109.10142	2.4
111.00771	0.3
115.05458	0.5
116.06249	0.3
117.06998	1.3
119.08559	4.7
121.02821	1.3
121.06465	1.1
121.10131	0.5
123.04425	0.4
123.11682	0.4
128.06221	0.3
129.06975	1.0
131.08543	0.8
132.05679	0.8
133.06502	1.6
133.10112	0.4
135.08044	0.6
135.11679	0.6
137.02271	0.6
143.08481	0.4
145.06464	0.7
145.10095	0.5
146.07230	0.5
147.08026	100.0
148.08350	2.3
149.09595	50.0
149.69354	0.3
150.09886	1.2
153.01799	2.5
157.06509	0.5
158.07283	0.6
159.08051	1.0
159.11717	0.3
161.09612	2.2
165.01799	0.9
173.09612	2.6
175.11191	0.4
178.04948	0.7
183.02849	0.3
185.06015	0.3
187.11172	0.6
199.11131	0.7
201.16391	0.5
213.05478	0.9
213.12779	0.3
241.04916	0.3
255.09079	0.5
258.05200	0.6
269.18790	0.3
287.05457	22.4
287.20004	55.3
288.06006	1.5
288.08527	1.8
288.20377	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2004
Annotation	Cannabidivarin
Peak:m/z	Relative Intensity
51.50362	1.3
55.05510	11.4
57.07060	2.1
67.05493	2.8
69.07055	15.6
69.11215	1.3
69.84393	4.3
79.05456	1.9
81.07011	4.4
83.08603	8.3
91.05447	1.8
93.07010	4.6
95.08624	6.2
97.10122	4.7
98.22693	1.7
100.88034	1.2
103.05477	6.4
105.06996	3.9
107.08553	5.1
109.10143	3.1
114.54017	1.2
115.05434	3.7
117.06969	4.6
118.26115	1.3
119.08527	1.8
121.10126	9.0
123.04414	2.0
123.11616	2.3
128.06165	4.0
129.07004	9.1
131.04929	13.9
133.10127	1.9
134.74637	1.2
135.11610	1.8
137.05875	1.4
143.04880	3.1
143.08507	5.5
145.06505	10.8
145.07510	2.3
148.05211	1.4
149.05963	42.4
157.06496	14.2
157.10088	3.3
159.08000	2.3
161.05934	6.8
163.07524	31.4
165.09106	6.6
171.08090	7.6
171.11647	1.4
173.05927	3.3
173.09517	4.6
174.06712	3.2
175.06146	2.1
175.07541	26.1
177.06812	1.4
177.09100	1.9
179.10588	4.8
185.09538	5.6
187.11156	2.5
188.08273	2.5
189.09076	12.1
191.10648	100.0
192.10991	2.8
199.11108	7.8
201.09169	1.6
202.09781	3.5
203.10648	10.7
205.12227	68.1
206.12523	2.0
212.11980	7.0
213.12413	2.1
214.13417	3.3
217.12209	63.0
218.12541	2.3
219.13751	1.7
227.14110	5.3
229.12164	6.1
231.13777	12.6
243.13727	2.3
245.15340	42.3
269.18845	6.8
269.21991	2.2
287.10397	1.7
287.16727	1.7
287.19879	50.9
287.23267	3.8
287.31149	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	287.2365
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
55.05506	9.5
57.07074	2.4
67.05496	20.4
69.07047	11.1
70.14819	2.3
70.15183	4.8
71.04993	4.2
79.05485	15.1
81.07049	42.2
83.08631	3.6
91.05466	11.9
93.07034	34.3
95.04972	4.3
95.08594	62.8
97.06519	11.9
105.07021	23.1
107.08584	60.4
109.06514	2.4
109.10143	23.7
111.08090	2.6
119.06142	1.9
119.08569	32.0
121.10127	34.3
122.10431	2.0
123.08038	2.5
123.11703	23.4
126.65637	1.9
131.08545	4.8
133.10110	21.5
135.11673	100.0
137.05989	3.1
137.13191	2.4
145.10112	6.7
147.11642	14.8
149.13257	6.1
157.10110	3.6
159.11697	8.9
161.13271	6.1
164.08321	2.6
171.11676	2.4
173.13260	8.0
175.14833	10.0
177.06807	3.4
177.16374	9.6
191.10640	2.6
191.18024	2.4
199.14780	2.9
203.17970	10.0
213.16351	4.0
243.21149	2.2
258.13974	2.4
263.19577	1.9
269.22614	10.3
287.20059	38.3
287.23651	29.9
288.20358	2.2
288.28882	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	Helicallenal
Peak:m/z	Relative Intensity
51.49432	0.9
53.03943	1.6
55.05507	7.3
55.19612	0.9
57.07073	4.5
57.07299	0.8
58.06582	0.8
65.03913	1.2
67.05501	17.5
69.07059	10.9
69.80299	1.6
71.04991	1.2
71.08620	1.0
72.08167	6.5
73.08463	1.7
73.23853	1.0
77.03906	1.5
79.05487	13.5
81.03440	0.8
81.07052	46.4
83.08604	4.3
89.98638	1.1
90.09191	5.2
91.05472	14.4
93.07038	61.6
94.07355	1.0
95.04941	5.4
95.08602	46.6
96.08938	1.1
97.06480	1.5
97.10152	4.1
105.04526	1.0
105.06348	1.7
105.07022	27.0
107.08587	25.9
109.06495	3.6
109.10143	22.9
111.08060	1.2
111.11692	1.8
113.16250	0.8
117.07001	3.4
119.08566	23.2
121.06449	1.6
121.10138	89.7
122.10429	1.7
123.08063	4.5
123.11698	23.5
131.08549	6.8
133.07666	1.5
133.10115	11.1
135.08057	1.9
135.11691	11.1
137.05980	1.5
137.09566	1.9
137.13223	1.6
137.97577	0.9
143.08508	3.0
145.10124	10.0
147.11685	11.5
149.09679	1.2
149.13246	18.5
151.11096	1.1
157.10106	3.9
159.11673	13.1
161.13272	8.9
163.11191	2.1
163.14865	4.7
164.08316	1.5
165.12750	4.9
171.11633	3.3
173.13264	7.5
175.14810	12.4
176.15051	0.9
177.12714	1.6
177.16356	6.9
179.14294	3.5
185.13235	2.4
187.14810	5.0
189.16386	2.3
191.14331	4.1
193.15900	4.3
196.16341	0.9
199.14783	6.8
201.16365	1.9
203.76895	0.8
205.15919	1.3
213.16370	8.0
215.17975	2.1
217.15833	2.0
227.10480	1.6
227.17894	2.5
229.19521	7.8
231.17358	2.8
241.19482	2.3
245.11829	1.8
259.24246	1.7
269.22617	33.8
270.22769	1.2
286.31006	3.1
287.20059	24.5
287.23633	100.0
287.31323	39.9
288.20706	1.8
288.23999	5.6
288.28970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
55.05508	3.7
57.07067	2.0
59.04996	0.7
62.11108	0.5
67.05493	5.3
69.07062	4.9
69.22364	0.5
69.85737	1.5
76.95467	0.5
79.05475	3.6
81.07053	25.7
82.07388	0.6
83.04226	0.4
83.04983	3.7
83.08609	2.1
85.06518	0.6
91.05467	3.4
93.07035	7.1
95.08595	17.6
97.06500	0.6
97.10156	1.7
105.07005	6.8
107.08578	8.8
109.06506	1.3
109.10145	12.4
109.91324	0.5
111.08084	0.8
111.11760	0.8
117.07014	2.0
119.08560	7.3
121.06504	1.3
121.10136	6.8
123.08054	1.6
123.11702	3.9
125.09625	2.0
129.07010	0.7
131.04962	1.1
131.08560	2.6
133.10121	4.9
135.08061	1.7
135.11687	3.2
136.08826	1.4
137.05983	5.5
137.09630	1.2
137.13268	0.9
143.08563	1.9
145.06445	1.0
145.10124	4.4
147.08015	0.7
147.11674	4.4
149.05965	2.1
149.09604	0.9
149.13239	3.6
151.07564	1.4
151.11198	0.9
157.06511	0.7
157.10121	2.5
159.08086	0.8
159.11662	4.7
161.09570	0.6
161.13220	3.5
163.07570	1.9
163.11143	3.0
163.14851	1.5
164.08302	6.4
165.09135	1.4
171.11700	2.3
173.09564	0.9
173.13251	2.6
175.11250	0.9
175.14781	3.3
177.09113	1.3
177.12732	2.3
185.09576	0.7
185.13272	1.6
187.07550	1.5
187.14861	1.5
189.09090	0.8
189.12689	0.6
189.16353	2.3
191.10678	7.1
191.14317	1.2
193.15950	1.7
199.14818	1.9
201.16367	3.0
203.10629	4.3
203.17845	1.0
205.15915	0.7
213.16318	3.7
215.10600	1.6
215.17955	1.0
217.12309	0.6
217.15939	1.4
227.17978	1.4
229.19554	1.5
231.17490	1.6
241.19574	0.7
243.21245	1.0
245.19054	1.1
259.24271	0.8
269.22598	10.4
270.22852	0.8
272.17667	1.5
278.70331	0.6
287.10428	23.0
287.20065	100.0
287.23645	28.0
288.10696	1.7
288.20370	5.9
288.23984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
53.03951	0.3
54.56058	0.4
55.05500	1.3
56.87674	0.3
57.03505	0.3
57.07070	2.7
59.04980	0.3
67.05502	3.2
67.28897	0.4
69.03419	0.7
69.07051	1.2
69.28461	0.4
69.92631	0.8
79.05491	4.3
81.07048	26.4
91.05475	2.5
93.07034	14.2
94.82692	0.4
95.08594	6.6
98.22701	0.5
105.07014	5.5
107.08573	4.2
109.06525	0.5
109.10153	1.0
117.07003	0.6
119.07744	0.7
119.08566	12.6
121.10133	45.1
122.10482	0.6
123.11691	100.0
124.12046	2.0
133.10095	0.5
135.11678	3.4
137.13216	1.3
145.10060	0.7
147.11656	2.6
149.13243	0.6
159.11678	0.7
161.13374	0.4
163.11221	1.8
165.12781	2.5
173.13200	0.7
177.06781	0.4
209.65558	0.5
229.19511	0.5
269.22595	1.7
287.20084	3.1
287.23669	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	287.2367
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
50.23162	1.0
50.40576	1.1
55.05507	7.9
57.03417	1.2
57.07067	4.4
65.03914	1.1
67.05497	20.4
69.07061	11.6
69.94220	3.4
69.94566	1.1
70.06580	2.5
71.08624	1.4
75.09620	1.0
79.05497	12.4
81.07046	49.9
83.08613	3.9
88.07607	3.4
91.05464	10.5
93.07036	58.7
95.04950	4.4
95.08597	48.8
95.09218	1.9
97.06501	1.1
97.10172	3.3
105.07016	30.7
105.07732	1.5
106.08661	2.7
107.08585	24.7
109.06524	2.8
109.10144	21.5
111.08073	3.5
111.11734	1.3
117.07027	2.5
119.08570	25.2
121.06458	1.3
121.10130	100.0
122.10511	1.7
123.08054	5.0
123.11692	26.9
125.09609	2.2
129.06924	1.3
131.08575	5.4
131.09427	1.3
133.07610	1.9
133.10130	7.7
135.08049	2.3
135.11694	10.8
135.56403	1.1
137.05988	3.3
137.13266	2.0
139.11096	2.0
143.08551	4.0
145.10132	8.1
147.11665	11.9
149.13229	39.1
151.11206	3.1
157.10109	4.8
159.07957	1.4
159.11681	10.2
161.13179	7.4
163.07466	1.6
163.11229	2.0
163.14787	4.2
165.12741	8.9
165.17944	1.2
171.11702	2.2
171.92989	1.3
173.13272	4.8
175.14809	9.4
177.09081	1.3
177.12776	2.3
177.16370	5.4
179.14256	3.2
185.13225	2.4
187.14819	3.4
189.16373	2.2
191.14284	3.1
193.15845	3.6
199.14835	5.0
201.16312	1.8
203.10608	2.1
203.18022	1.1
213.16367	6.9
215.17880	1.6
217.15785	1.8
227.10634	3.3
227.17934	2.8
229.19472	4.2
231.17363	1.7
241.19426	2.1
243.20987	1.1
245.11749	4.2
256.93134	1.3
269.22604	31.2
270.22934	1.1
287.16748	2.9
287.20038	56.5
287.23651	88.4
288.20352	2.8
288.23978	4.8
288.28943	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	287.2367
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
52.92825	1.6
55.05509	8.3
57.07072	9.6
58.07386	1.7
62.06065	5.5
63.17628	1.5
67.05498	15.9
69.03413	3.7
69.07047	6.4
69.91062	3.0
69.91459	2.9
71.08610	4.9
73.81394	1.5
79.05478	12.2
81.07048	78.9
82.07401	2.2
83.08599	3.2
85.06507	2.0
85.10139	1.7
91.05450	10.1
92.48110	1.6
93.07040	26.1
95.08600	28.9
105.07023	37.0
107.08591	19.7
109.06503	4.3
109.10124	12.2
111.08052	2.2
111.32540	1.3
119.08562	30.0
121.10131	100.0
123.08046	10.2
123.11698	36.9
129.07047	1.5
131.08553	2.8
133.10115	7.8
135.11673	4.3
137.05931	6.1
137.09631	1.7
137.13245	15.4
139.11130	2.5
145.10143	7.6
147.11667	29.2
149.13197	8.9
151.07491	2.2
151.11168	3.6
157.10167	1.9
159.08113	1.9
159.11653	6.1
161.13234	6.6
163.11171	3.0
163.14865	1.6
164.08282	2.3
165.12747	19.3
173.13203	6.7
175.14835	5.7
177.09192	3.3
185.13200	2.0
189.16400	3.1
199.14796	4.2
203.10713	3.7
213.16336	5.9
213.24046	3.1
227.17894	2.2
229.19484	2.8
230.24765	6.3
231.25119	20.4
269.22592	18.3
272.17606	2.3
286.31070	5.3
287.19989	85.9
287.23602	34.0
287.31317	72.7
288.20331	4.1
288.28949	5.9
289.74924	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	16.2
58.66931	0.6
59.48809	0.8
60.42191	0.7
69.03441	0.7
71.43087	1.0
74.97598	1.6
79.05486	0.7
81.07051	1.6
83.61047	0.7
85.02891	1.2
91.05486	0.9
91.55885	0.8
95.04967	2.2
97.02863	0.9
99.04466	1.0
105.07005	0.9
107.08565	0.9
119.08525	0.9
120.42067	0.7
127.03880	1.2
144.98094	0.9
148.99083	5.7
149.09621	0.6
151.00641	0.9
161.13234	0.9
162.99101	1.4
167.00150	23.5
169.01701	2.5
176.98560	7.9
181.00273	0.8
185.01204	34.5
187.02792	2.3
194.99623	13.0
203.00175	6.1
203.02246	7.5
213.00681	67.2
214.01028	1.0
221.01195	34.9
231.01732	59.4
236.02322	2.2
239.02249	17.8
246.99075	4.6
249.02931	1.0
257.03256	1.6
265.00174	66.7
266.00467	1.6
283.01227	100.0
284.01596	1.9
287.20166	0.9
288.01718	3.0
288.08414	1.3
301.02280	0.9
306.02835	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	4.2
58.47997	3.5
69.36481	3.6
70.06573	7.9
70.20866	8.6
71.56747	4.1
72.08142	14.0
74.78939	3.6
75.79848	3.4
79.04224	3.9
84.08124	5.1
86.09695	13.7
98.23325	4.0
98.97562	5.7
116.98589	4.5
126.01098	7.1
141.02135	19.1
142.00543	4.8
153.02200	3.5
160.07422	3.5
162.98863	3.4
171.06587	4.8
180.76297	3.5
185.01128	4.1
185.16489	8.8
189.07684	100.0
207.04370	6.7
214.09865	17.7
214.11650	4.1
220.25095	3.6
225.05367	24.8
226.03784	13.3
234.99799	3.9
260.10205	8.4
261.03470	4.7
288.05423	20.4
288.11407	19.3
289.12643	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	289.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.3
58.99858	1.1
61.32036	0.6
63.62019	0.7
69.03439	0.6
69.99313	2.2
70.99844	1.7
77.00896	1.4
80.91391	0.6
81.03395	1.5
82.99432	0.7
82.99871	2.2
85.02885	1.3
89.00880	0.7
97.01389	2.1
97.02856	0.7
98.97574	7.8
99.04439	0.9
101.00871	30.6
102.00912	0.9
109.02888	0.9
113.00865	1.5
115.01605	1.3
115.02414	19.6
115.03192	1.3
116.55274	0.7
116.98604	5.1
117.04005	1.1
119.01905	100.0
120.01984	4.0
126.98730	1.0
127.03905	4.5
129.03970	8.1
131.01883	6.4
133.03455	27.3
134.03540	0.6
134.99655	2.7
135.05023	2.0
137.02942	29.0
138.03035	1.1
142.03391	1.4
143.01886	13.0
144.01970	0.7
144.99794	3.8
145.00800	1.4
145.03432	2.4
147.01413	1.4
147.05005	8.4
149.02954	1.7
151.04517	4.4
157.03461	1.9
159.01376	1.3
161.02939	46.2
162.03073	1.4
165.00529	1.2
168.99796	7.5
171.01408	6.2
172.94391	0.9
173.02953	6.5
174.97604	1.1
175.00882	1.9
175.04440	1.2
177.00958	0.8
177.02399	1.7
179.03963	2.5
184.04533	1.3
185.02911	1.6
186.09775	0.8
187.00856	24.6
187.02483	1.4
188.00912	1.0
189.02438	12.2
190.02574	0.9
190.95479	1.1
191.00473	1.2
191.03969	9.6
192.04155	1.0
192.98686	0.8
196.99309	5.9
199.00851	7.1
201.02386	3.2
203.03987	1.1
204.10852	1.1
205.01918	8.5
206.02017	0.8
207.01674	1.1
207.03429	4.6
215.00348	30.4
216.00551	1.2
216.98666	1.8
217.01930	15.4
219.03542	4.9
221.01498	0.8
229.01933	6.7
231.03442	2.1
233.01360	4.7
234.99739	2.2
235.03047	1.9
238.01805	1.2
247.02962	30.4
248.02927	1.1
251.02341	1.0
256.96536	0.9
264.99423	1.0
265.04041	9.6
274.97531	5.9
277.04086	0.9
289.03983	4.4
292.98560	2.3
293.03482	0.8
307.05090	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35917	6.9
56.96553	15.5
65.91635	6.7
70.36817	12.1
98.97582	80.5
101.00886	45.5
115.02409	13.6
116.98607	47.9
119.01915	100.0
128.98570	7.5
129.03961	10.0
130.93338	8.9
131.00143	10.3
131.01888	16.6
133.03482	24.6
134.99646	14.0
137.02968	16.1
143.01930	17.8
147.05035	9.3
149.01164	9.8
161.02977	50.7
168.99878	10.0
172.94345	17.3
173.36229	6.0
176.82224	6.5
187.00867	28.4
189.02454	8.8
190.95381	21.6
191.04056	9.9
199.20735	7.6
215.00392	35.6
216.96959	12.1
216.98793	12.2
217.01932	15.2
219.03596	7.8
229.02089	9.0
232.96469	6.1
234.99875	10.5
246.97978	15.4
247.03101	32.7
264.99155	14.4
265.04080	8.5
274.97455	21.4
278.04941	6.3
288.95969	6.2
288.99100	22.1
289.04114	9.7
289.06592	45.2
292.98456	13.7
307.00131	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	289.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	27.1
69.74886	17.0
69.75256	32.7
98.97588	82.9
101.00889	21.6
116.00211	9.4
116.98633	45.1
119.01910	36.1
133.03494	15.7
134.99641	19.3
137.02994	11.2
138.14972	8.9
143.61237	11.2
146.91789	10.7
149.01251	10.8
161.02972	16.6
172.94356	17.3
174.97595	16.3
215.00330	17.3
216.98663	16.1
217.01935	12.6
219.01955	22.6
221.05081	10.4
234.99722	34.3
237.02890	23.6
247.03096	13.9
266.02945	12.3
274.97437	10.6
288.99133	18.8
289.06680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1546
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.67915	0.5
55.05503	1.3
67.05482	1.3
69.07050	2.1
69.16358	3.3
79.05501	1.5
79.07944	0.6
80.87272	0.6
81.07034	2.4
83.08592	0.9
85.17786	0.6
91.05470	5.5
93.07039	1.6
94.06573	1.4
95.04906	0.8
95.08583	2.4
96.08112	2.3
97.10144	0.6
104.04993	0.8
105.06998	1.1
106.06538	1.8
107.08575	1.2
109.10105	1.0
116.04996	0.9
117.05732	1.5
118.06546	7.2
119.07311	3.4
119.08574	1.0
120.08095	13.6
121.06462	0.6
121.10116	1.4
124.07590	12.0
126.09195	1.1
127.03932	0.7
131.08583	0.6
131.79372	0.7
134.05986	4.0
135.11705	0.7
136.07579	6.5
137.20921	0.6
138.05501	1.6
146.05978	5.4
147.06857	2.9
147.07861	0.6
148.07564	11.0
150.09177	0.7
152.07024	0.7
159.07962	0.7
161.13206	0.5
164.07053	100.0
165.07494	2.4
166.08643	4.7
188.97792	0.6
200.10672	1.1
211.11047	0.6
214.10793	0.7
215.15379	1.7
216.10127	2.8
225.13698	0.8
229.13443	1.2
243.14868	4.7
245.16400	1.9
253.13380	0.9
254.11642	1.3
271.14374	21.4
272.14798	0.8
289.15436	64.7
290.15756	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	289.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.7
55.05499	8.3
55.13354	2.7
62.61964	2.8
67.05510	15.0
68.69202	2.9
68.97305	3.0
69.03412	4.7
69.07067	13.2
69.30035	15.4
69.30433	5.2
70.27733	3.1
71.04986	9.4
79.05493	23.6
79.63781	3.1
81.07047	41.4
83.04970	18.5
83.08628	9.3
85.06538	6.7
91.05482	14.9
93.07040	46.5
95.04977	15.1
95.08607	36.8
97.06528	25.2
99.04459	20.8
105.07030	38.6
107.04955	8.6
107.08592	25.7
109.06521	28.7
109.10146	5.2
111.08062	20.6
113.05980	4.1
117.06965	4.0
119.08599	21.7
121.06497	73.9
121.10155	4.8
123.04411	4.0
123.08085	4.3
123.11690	7.2
125.05980	12.1
127.03907	3.7
127.07562	7.4
133.10143	19.9
135.04430	5.2
135.08015	11.9
137.06029	5.6
139.07530	25.3
142.07819	3.8
143.07027	7.3
143.08603	5.8
145.10136	4.6
147.08034	4.7
147.11665	41.3
149.13261	3.5
151.11140	7.0
153.01790	3.6
153.09122	4.4
156.09261	3.4
157.08633	9.0
157.10152	15.4
159.06509	10.1
161.13293	9.9
163.03903	3.6
165.12758	18.9
166.07884	3.3
169.12250	18.8
171.11681	10.2
173.09593	3.5
175.11186	27.9
181.10135	3.5
189.12697	22.2
193.12245	33.7
199.11166	22.1
203.69743	3.0
207.13782	15.2
211.13284	31.9
217.12216	100.0
229.14388	12.4
235.13306	73.2
242.78699	3.0
251.18790	3.3
253.14320	37.3
284.80405	3.1
289.06021	76.7
305.33594	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	289.1797
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
55.05511	1.0
64.00742	0.7
67.05489	1.3
69.07056	1.7
71.43429	0.8
81.07043	2.3
83.08582	0.9
93.07035	1.2
95.08601	1.3
105.07020	1.0
105.62238	0.7
107.08513	0.7
108.91643	0.7
117.06977	1.6
119.08578	1.1
121.10135	1.0
131.08475	0.7
137.05956	2.3
143.08516	0.9
147.11630	1.5
151.07521	0.7
152.53891	0.8
155.08546	1.5
159.08089	1.2
166.70534	0.6
173.09557	1.0
179.06964	1.0
183.07990	0.8
187.07455	3.8
200.08354	1.5
201.09041	2.1
202.09827	1.2
208.96237	0.7
212.93561	0.8
215.10684	1.7
241.12230	6.2
243.13861	0.7
255.13712	0.8
256.14569	24.2
257.14890	1.0
271.16895	47.3
272.17203	2.4
289.17960	100.0
289.20621	3.8
290.18396	4.7
290.48761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
50.37783	1.4
53.46548	1.3
55.05505	18.4
57.07061	1.5
59.04979	1.5
60.06582	1.4
65.03933	1.7
67.05164	1.9
67.05503	28.6
69.07062	15.9
73.06563	1.4
79.05489	28.2
81.07050	30.9
83.04958	1.9
83.08612	10.7
85.04768	1.4
85.06533	4.3
88.07641	2.6
89.98905	1.5
91.05473	83.4
92.05781	2.8
93.07037	23.7
95.04942	5.6
95.08603	19.7
97.06512	3.3
99.08115	2.7
103.05462	2.5
105.04521	2.2
105.07024	74.0
107.08575	17.4
109.06479	3.4
109.10148	7.1
115.05428	1.6
117.07007	14.3
119.08563	65.6
121.06511	3.8
121.10136	10.6
123.08054	2.0
129.07010	4.7
131.08556	29.6
133.10117	51.6
135.07996	3.9
135.11668	5.0
139.55978	1.5
143.08548	5.8
145.10126	21.7
147.11667	32.1
149.09584	2.5
149.13205	3.2
155.08574	2.5
156.34026	1.5
157.10109	8.2
159.11684	16.5
161.09573	2.1
161.13225	14.9
163.11134	5.2
169.10103	4.7
171.11694	5.2
173.13239	9.3
175.11191	2.8
175.14777	4.0
177.12759	3.0
183.11662	2.7
185.13228	2.0
191.14314	3.4
194.92529	2.4
197.13254	3.3
207.13690	2.5
211.14760	2.4
215.14355	1.8
215.17909	3.0
229.15881	2.4
229.19490	2.0
239.17924	9.0
257.19006	16.5
289.21588	100.0
289.28992	9.0
290.21796	3.8
290.26831	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2522
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05498	18.6
57.07056	6.3
59.04995	4.6
61.69025	2.8
67.05495	22.7
69.03410	4.0
69.07065	35.6
69.63657	6.4
69.64051	5.6
69.88577	2.8
71.04993	4.0
71.08632	5.6
79.05489	24.8
81.07047	100.0
83.08608	8.9
85.06539	12.8
88.07629	4.6
91.05463	23.0
93.07017	33.3
95.08594	58.3
97.06520	5.6
97.10180	3.6
98.22743	5.9
99.08070	3.5
105.07014	41.0
107.08586	38.0
109.10136	30.4
111.08094	6.4
117.07012	8.4
119.08573	40.0
121.10123	28.3
123.11707	20.6
125.09585	3.5
131.08604	15.3
133.10129	26.2
135.11679	14.7
137.09581	4.8
137.13271	6.7
145.10069	18.4
147.11670	23.1
149.13260	18.6
151.11176	4.4
157.10159	4.6
159.11681	15.0
161.13223	17.8
163.14824	12.7
165.12794	3.7
173.13295	11.9
175.14850	12.6
177.16431	5.9
187.14755	4.7
189.16382	10.5
203.17982	8.6
215.17941	7.4
219.17427	3.4
221.84943	3.1
229.19518	3.7
233.18947	3.5
245.22678	13.9
257.18988	3.7
271.24191	14.3
289.18585	3.4
289.21606	36.7
289.25235	49.5
289.28778	5.4
289.29352	4.7
294.31976	3.9
295.59106	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	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03951	2.1
55.05507	17.8
57.07073	25.7
67.05501	31.7
69.03469	2.7
69.07063	56.8
69.07442	2.8
79.05506	15.8
81.07053	100.0
83.08614	16.3
86.41293	2.6
91.05472	13.6
93.07035	66.9
95.04956	5.8
95.08599	79.6
97.10175	6.2
100.07612	5.6
105.07020	36.1
107.08584	57.5
107.09261	4.5
109.06519	6.1
109.10147	94.9
111.11678	4.5
117.07005	3.6
119.08550	33.9
119.95444	2.0
121.06510	3.9
121.10142	39.0
123.11697	76.3
125.09635	2.5
125.13255	3.6
131.08548	7.8
133.10115	20.7
135.11671	16.3
137.13257	8.9
139.11214	4.7
145.10126	13.7
147.11688	28.7
149.13248	99.6
150.13574	3.4
151.11198	11.0
156.13824	10.0
159.11693	9.1
161.13269	24.2
163.14795	28.5
165.12762	19.1
173.13280	7.1
175.14809	22.2
177.12740	2.8
177.16434	11.2
180.95572	2.6
187.14807	6.4
189.16399	8.7
193.15886	5.3
201.16370	8.6
207.17491	5.1
215.18002	11.4
233.09142	2.8
241.11972	2.3
256.14435	3.3
261.21936	2.5
271.16956	9.4
271.24182	57.6
272.24741	3.4
289.17896	19.7
289.21002	23.3
289.25250	95.4
290.25620	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03949	2.0
55.05513	15.1
57.07055	6.6
64.64755	2.0
67.05502	24.2
69.03402	2.6
69.07068	24.6
79.05497	10.6
81.07050	76.1
83.08617	12.8
83.51497	2.5
85.06538	5.5
91.05477	13.7
93.06458	2.7
93.07045	40.0
95.04983	2.5
95.08599	100.0
97.06490	3.1
97.10142	7.4
101.35253	2.1
105.07026	35.4
105.59545	2.2
107.08585	50.9
108.74826	2.1
109.06543	2.9
109.10143	57.2
111.08063	7.7
111.11731	2.7
114.35676	2.1
117.07013	3.3
119.08563	33.5
121.09264	5.2
121.10131	89.5
122.10482	3.4
123.11700	65.5
124.77416	2.0
125.13245	4.7
126.70347	1.9
131.08588	4.2
133.10115	16.5
135.11685	34.6
137.13235	12.6
144.88129	2.2
145.10120	7.7
147.11691	27.6
149.13260	25.1
151.11139	4.3
153.12743	3.7
159.11684	8.9
161.13251	14.7
163.14812	11.5
165.12784	16.2
167.14326	5.4
173.13222	9.2
174.43021	2.1
175.14832	15.3
177.16353	11.4
179.14215	3.3
187.14795	8.3
187.33353	2.2
189.16402	6.4
193.15884	5.2
201.16359	9.3
205.15900	2.8
215.18001	6.6
229.19644	3.9
245.22577	2.6
254.85945	2.0
271.17014	3.8
271.24179	25.2
289.12323	3.1
289.17874	6.5
289.20691	20.7
289.25211	71.8
290.25705	3.9
300.32227	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	39.9
69.23864	67.0
80.49812	10.7
98.22707	25.7
98.97585	100.0
98.98450	27.0
116.98595	70.8
130.26758	9.4
134.99652	45.4
137.17735	11.8
177.00737	16.1
193.38737	10.7
208.95976	11.4
219.02084	19.0
233.15326	11.6
245.08096	19.3
290.94727	62.7
308.95685	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	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	36.2
70.80804	22.6
87.08323	17.5
98.97581	92.1
112.68236	17.4
116.98624	41.1
161.99678	17.1
170.99686	20.3
291.08545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	Gerfelin
Peak:m/z	Relative Intensity
51.02373	1.0
53.03930	2.0
53.36173	0.7
55.01859	2.2
55.05491	1.9
55.07423	0.7
57.03426	0.9
65.03935	17.4
67.05502	9.8
69.03404	3.0
69.07059	1.3
77.03922	0.7
79.05466	2.2
81.03410	22.6
81.07063	3.8
81.07452	0.8
82.25073	0.7
83.04962	1.9
83.08606	0.8
91.05488	5.1
93.03397	21.4
93.07014	2.1
95.04950	3.3
95.08594	1.9
97.02883	13.7
103.05431	1.1
105.06989	2.0
107.04946	1.3
107.08571	1.7
109.02856	8.9
109.06493	1.1
110.03687	5.0
111.04441	3.4
115.05435	6.8
117.06995	1.5
119.04947	5.6
119.08547	2.3
121.02824	4.9
121.06468	0.8
121.10144	1.9
123.04375	2.6
123.11652	0.8
124.05212	7.8
125.05966	8.6
127.03889	0.9
128.06207	20.0
129.06990	74.7
130.07350	1.0
131.04883	2.3
131.08549	3.0
133.10074	1.1
135.11708	0.9
137.05948	3.1
139.03867	2.3
139.05408	12.9
140.06093	0.8
141.05884	1.4
141.06969	22.6
143.04893	1.0
143.08510	1.1
144.05606	1.6
145.06537	4.3
145.09979	1.4
146.07318	0.9
147.04387	25.4
147.08052	0.8
147.11620	1.2
149.02315	4.6
151.03893	14.4
151.04985	1.1
153.05478	1.6
153.06927	1.1
155.04875	2.2
155.06001	3.2
155.81474	0.8
156.05678	3.1
157.06473	80.0
158.07002	2.2
159.07999	1.9
161.05969	3.2
161.09631	1.6
163.07549	3.7
165.05333	1.0
167.03403	2.3
167.04892	21.6
168.05650	2.1
169.06470	21.9
171.04330	1.1
171.07962	2.0
172.05145	2.3
173.05988	4.3
174.06718	9.2
175.07477	2.5
177.05414	1.2
183.04381	3.3
184.05177	7.2
185.05966	22.2
186.06644	1.7
187.07524	14.9
188.08307	17.5
189.09079	60.4
190.09378	2.0
195.04347	6.5
197.05962	2.9
199.07523	42.2
200.04686	3.3
201.09050	4.4
202.06245	1.1
203.07047	1.8
207.06471	1.7
212.04642	5.3
213.05431	8.5
214.06213	5.3
215.06985	7.8
216.07591	0.9
217.08577	52.8
218.09039	1.4
223.03857	1.6
227.06998	41.2
228.07356	1.4
229.08574	2.4
245.08066	100.0
246.08379	3.8
255.06534	2.7
273.07547	11.6
273.18607	1.3
291.08585	99.3
291.19443	2.8
292.08847	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02383	2.1
53.03934	7.1
55.01866	14.1
55.05256	2.3
55.05506	29.3
57.03429	3.7
57.07063	5.0
58.89446	1.7
65.03922	3.7
67.05498	60.8
69.03423	8.8
69.07063	22.8
71.04974	7.4
71.43171	1.6
79.05486	61.6
79.62547	1.8
81.03403	12.8
81.07050	70.6
83.01324	3.7
83.04971	10.3
83.08606	11.2
85.06502	4.0
89.29478	2.1
91.05471	52.7
93.07033	56.3
95.04958	24.2
95.08022	2.7
95.08597	34.7
97.06508	7.2
97.10132	3.7
99.08067	2.1
103.05462	3.0
105.04530	2.9
105.06343	3.3
105.07021	42.1
107.04964	22.9
107.08578	31.5
108.24007	1.6
109.06509	15.5
109.10144	23.7
109.55473	1.5
111.04414	4.4
111.08069	7.6
115.05421	3.3
116.06223	2.2
117.07016	19.0
119.04908	3.2
119.08568	24.1
121.06496	23.6
121.10140	16.0
123.04398	3.1
123.08033	7.4
123.11703	3.8
125.06000	3.0
125.09644	2.3
128.06181	3.3
128.88104	1.9
129.07018	10.4
130.07710	2.6
131.08554	29.1
133.06487	15.3
133.10114	31.0
134.08876	1.6
135.08049	22.1
135.11688	12.4
137.05988	2.1
137.09613	5.5
138.85124	1.6
139.07527	2.5
143.08569	9.4
145.06409	2.3
145.10103	18.9
147.08047	14.0
147.11671	8.0
149.09598	25.5
149.13277	3.3
151.11177	10.0
155.08508	2.5
157.10075	9.4
159.08064	8.7
159.11658	5.7
161.09596	14.6
161.13231	4.6
163.11169	7.0
165.09085	1.8
165.12793	2.3
169.10150	3.1
171.08034	2.2
171.11676	6.7
173.09590	4.1
173.13177	3.0
175.11176	7.1
177.09103	7.5
177.12730	4.6
179.10738	2.6
185.13277	3.7
189.12718	5.3
195.10147	2.8
195.11771	2.8
195.13545	1.9
199.11244	3.9
203.14345	2.5
205.12164	1.9
209.11716	3.6
217.12262	2.9
227.17905	6.6
237.16541	2.0
245.18967	15.4
255.17322	5.4
263.20038	11.6
273.18445	53.4
274.18750	3.1
291.19501	100.0
292.19852	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	291.1948
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.53400	2.0
53.03934	5.1
55.01866	17.4
55.05507	51.0
57.03419	5.0
65.03918	2.5
67.05499	40.7
67.56772	2.0
68.03690	1.9
69.03410	7.6
69.07066	12.4
69.76405	6.4
71.04987	5.7
77.03925	2.3
79.05487	73.5
79.05951	3.6
81.03408	3.0
81.07052	67.9
83.04958	9.6
83.08604	20.5
83.26925	2.2
85.06547	2.7
91.05470	74.6
93.07032	32.0
95.04977	18.7
95.08601	16.3
97.10160	31.4
103.05486	3.4
105.03402	5.4
105.04530	3.0
105.07021	36.7
107.04962	15.5
107.08579	29.4
109.06519	4.1
109.10150	8.6
111.04461	2.3
111.08068	5.6
115.05428	3.8
117.07009	34.0
119.04913	2.4
119.08568	93.7
121.06509	16.4
121.10130	9.5
123.08072	4.5
125.09615	27.6
128.06215	5.5
129.06966	11.5
130.72859	2.0
131.08565	29.7
132.05643	4.8
132.08850	2.6
133.06464	6.9
133.10109	5.6
135.08031	19.9
135.11621	3.4
137.09695	3.3
142.07822	2.5
143.08545	18.2
145.06493	2.8
145.10100	34.5
147.08029	54.8
147.11687	3.7
149.09604	7.2
151.07576	2.2
153.09111	3.8
157.10126	9.0
159.08057	4.8
159.11646	10.3
161.09627	10.2
161.13237	3.3
163.11166	3.7
171.10201	3.1
171.11662	5.8
173.09544	3.0
173.13130	2.6
175.11250	2.6
181.10107	2.7
185.13261	4.3
189.11194	14.9
189.12704	3.9
195.11639	2.5
199.11208	2.5
200.45583	2.3
207.13902	2.4
213.12668	4.1
223.13329	2.8
227.17952	4.7
245.18884	5.1
249.14844	7.9
255.17496	11.9
273.18454	100.0
274.18802	4.4
291.19534	59.5
291.26932	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	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03948	0.7
55.01858	2.4
55.05505	8.8
57.07059	2.7
59.04995	3.1
65.03893	0.8
67.05499	6.4
69.03421	2.2
69.07053	2.0
71.04990	4.4
76.02957	0.9
79.05486	10.5
81.07046	9.3
83.04958	2.5
83.08620	9.0
85.06530	2.4
88.07678	0.7
91.05466	6.1
93.07039	12.9
95.04947	7.0
95.08018	1.3
95.08598	16.8
97.06526	5.5
105.07021	10.4
107.04944	13.8
107.08592	8.6
109.06510	8.0
109.10139	3.9
111.08067	39.1
112.08494	1.0
113.09624	1.7
117.07018	1.9
119.08552	8.6
121.02914	1.5
121.06481	1.3
121.10136	6.6
122.07317	1.9
123.08056	35.6
123.11691	1.6
125.09641	3.0
128.06279	0.8
129.06973	1.3
131.08554	6.0
133.06494	2.7
133.10114	9.3
135.08040	6.2
135.11676	4.3
137.09607	2.7
142.07759	1.7
143.08591	1.7
145.10110	5.2
147.08046	2.6
147.11700	6.7
149.09610	7.4
149.13234	0.9
151.07527	100.0
152.07884	2.2
155.10638	1.6
156.09334	2.0
157.10056	3.9
158.10855	1.1
159.08069	2.4
159.11595	1.3
160.88187	0.8
161.09572	3.3
161.13223	1.1
163.11171	4.4
165.09077	1.1
167.10707	1.7
168.94876	1.0
169.12149	1.3
171.11658	3.5
173.09659	1.6
173.13226	6.0
174.10405	1.9
175.11130	5.3
177.09160	2.0
179.10680	5.1
181.12263	1.4
189.12730	28.7
190.13287	1.3
191.10596	1.6
191.14316	11.7
192.11435	3.8
193.12250	1.3
197.11717	13.3
197.13318	1.9
199.11252	1.2
205.12210	1.3
207.13783	61.5
208.14194	1.4
211.13219	1.4
213.16458	1.2
215.14314	3.7
217.12271	3.3
227.17949	0.9
231.17398	2.2
233.15341	40.1
234.15720	1.2
235.13277	1.1
249.18506	2.7
255.17386	2.4
268.66525	0.8
273.18469	5.5
274.18805	0.9
291.19531	53.0
291.27136	3.4
292.19855	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03942	4.7
55.01871	16.2
55.05507	43.9
57.03427	4.9
57.07062	1.8
58.63305	1.4
59.05004	2.3
65.03925	1.8
67.05161	2.0
67.05503	36.7
67.29005	1.4
69.03433	5.4
69.07068	12.2
70.42702	2.5
71.04977	4.3
71.94991	1.5
77.03923	3.2
77.80999	1.4
79.05488	75.7
81.03400	4.5
81.07051	81.8
82.07421	1.2
83.04976	6.8
83.08614	21.5
84.40524	1.6
85.06548	2.8
91.05474	58.8
92.05779	1.9
93.07039	37.2
95.04346	1.8
95.04964	27.4
95.08598	25.1
97.06519	3.9
97.10162	23.6
101.09550	2.0
103.05472	2.7
105.03414	6.7
105.04527	2.2
105.07018	37.1
105.07729	1.8
107.04940	19.1
107.07922	2.2
107.08591	24.2
109.06519	13.4
109.10158	10.7
111.08100	6.5
115.05487	5.6
116.06225	3.3
117.07009	43.7
119.04951	5.6
119.08569	73.6
121.06501	24.8
121.10142	13.2
122.07292	1.5
123.08042	6.9
125.09631	18.9
128.06226	5.2
129.06995	16.0
130.07758	3.3
131.08568	32.6
132.05684	1.9
133.06488	7.5
133.10091	11.3
135.08047	16.0
135.11693	5.2
137.09619	3.5
141.06970	2.5
142.07732	2.9
143.08554	15.9
145.06506	3.1
145.10115	37.6
147.08034	38.8
147.11720	3.4
149.09615	10.7
149.13257	1.5
151.07538	5.6
153.09061	1.9
155.08540	2.6
157.06500	2.0
157.10114	12.7
159.08046	6.4
159.11664	8.9
161.09569	12.9
163.11169	5.7
169.10091	4.8
171.10265	1.6
171.11626	7.0
173.09549	3.1
173.13213	1.8
175.11136	3.8
177.09079	1.5
177.12680	1.6
181.10168	2.2
185.13193	4.1
189.09560	1.7
189.11212	12.3
189.12677	2.4
195.11716	2.3
199.11177	2.4
199.14748	2.1
207.13797	3.4
211.14902	1.5
213.12630	2.3
223.13264	9.9
227.17986	3.9
231.13722	1.6
237.16388	2.8
245.18968	4.3
249.14856	14.1
255.17442	9.4
273.18466	65.6
274.18811	5.9
291.19525	100.0
291.26910	4.1
292.19913	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	291.1952
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.61235	1.4
55.05497	8.4
57.07061	3.4
67.05495	6.9
69.03426	1.3
69.07066	10.3
69.83630	4.6
72.84324	1.3
79.05486	1.8
81.00240	1.4
81.07030	8.6
83.08615	5.8
88.07631	1.8
91.05473	8.6
93.07049	6.9
95.04974	3.3
95.08598	13.2
97.06539	1.6
105.07012	11.7
107.08592	11.4
109.06490	3.0
109.10152	18.9
117.07019	8.7
119.08571	39.1
121.06503	5.4
121.10125	5.5
123.08028	2.1
123.11685	4.9
125.05953	4.3
129.06987	2.6
131.08559	17.7
133.10107	19.7
135.08055	3.6
135.11702	2.7
137.13229	2.1
142.07753	2.4
143.08542	18.5
145.06454	2.2
145.10118	19.4
147.08057	4.4
147.11658	8.9
149.09601	4.2
149.13229	1.5
153.05505	1.6
156.09361	1.8
157.10124	27.1
159.11620	7.9
161.09605	87.3
161.13252	4.2
162.09952	2.9
163.07555	20.2
163.11153	2.6
171.11668	14.6
173.09575	1.6
173.13243	11.4
175.11203	10.1
177.09062	2.3
185.09622	2.3
185.13269	3.8
187.14804	71.6
188.15144	2.4
189.12770	5.1
189.16338	11.8
192.09398	2.1
197.13312	3.1
203.10619	2.8
203.17879	1.7
213.16362	35.6
215.14311	7.5
227.17847	11.0
231.17412	100.0
232.17848	2.7
233.15344	10.8
235.07631	1.7
245.19014	4.3
255.17406	2.8
263.10776	2.4
273.18466	78.3
274.18881	3.1
291.06558	4.1
291.10153	5.7
291.19485	30.1
291.27130	2.2
292.13211	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	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.98238	2.7
55.05503	22.3
57.07054	11.7
59.04978	4.1
60.03192	3.1
67.05504	52.8
69.07060	30.4
71.08612	4.1
79.05487	64.3
81.07054	61.6
82.34413	3.4
83.04951	3.9
83.08601	10.6
85.06532	10.9
91.05473	84.7
93.07042	89.7
95.04970	11.0
95.08598	34.8
97.06535	6.6
97.10158	3.2
105.07022	73.5
107.08591	45.6
109.06467	6.6
109.10143	15.6
117.07015	14.9
117.11803	2.7
119.08576	62.9
121.10138	38.5
122.13046	3.2
123.08069	4.0
123.11723	9.1
124.81540	2.8
129.07004	16.2
131.08531	16.1
133.06544	2.9
133.10127	71.5
135.08031	11.2
135.11693	19.3
137.13284	7.7
143.08537	12.9
145.10123	12.3
147.08009	12.7
147.11693	43.2
148.24203	2.9
149.09636	5.1
149.13242	20.8
157.10143	16.0
159.11659	7.5
161.09593	16.5
161.13260	22.4
163.14804	12.9
171.11671	18.0
175.11171	12.1
175.14772	23.3
177.16354	9.7
185.13310	11.5
187.14835	4.3
189.12671	16.0
193.12262	4.1
199.14906	3.2
203.14362	6.0
207.13730	6.7
215.17992	7.6
217.19493	82.8
218.19688	3.7
221.15295	11.3
231.17621	5.5
231.21091	16.7
231.23157	3.1
235.16782	3.7
241.19484	33.1
259.20578	51.4
263.07108	4.3
263.10739	3.6
291.06866	7.1
291.10147	12.3
291.23154	100.0
292.23242	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	292.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36943	12.7
52.94114	11.8
64.33878	10.2
70.06577	19.4
71.04993	45.6
71.42717	13.6
72.95787	11.2
74.99343	11.3
82.78942	11.4
87.04475	26.0
88.07635	14.8
92.21446	12.4
93.07020	12.5
95.08595	17.9
96.13837	12.6
99.04457	71.0
99.04995	11.7
100.27065	11.8
106.60135	11.7
117.05484	38.1
132.22781	14.1
159.81873	13.1
161.05974	33.6
161.09673	13.8
175.06282	29.8
189.09074	19.6
200.20078	35.2
218.04390	15.8
221.15382	18.8
229.19971	14.4
249.09125	14.0
250.06767	50.7
255.09549	14.6
260.04233	12.4
263.07089	13.9
278.05743	16.7
292.08035	63.6
292.24835	39.8
293.04865	20.0
293.07974	100.0
293.13571	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	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56367	4.0
59.50517	3.7
61.22971	3.9
64.05365	4.5
68.00806	4.3
70.11095	7.9
98.97576	8.4
112.89590	53.2
117.48083	4.1
144.99710	4.3
149.07561	4.2
161.02975	9.1
161.99519	21.2
197.30078	4.3
231.15720	4.6
253.56445	4.3
293.06247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0808
Annotation	2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
Peak:m/z	Relative Intensity
54.92377	0.2
56.63843	0.2
71.42812	0.3
79.05487	0.3
87.13967	0.2
88.19409	0.3
91.05475	0.4
95.08628	0.3
107.08569	0.4
115.05453	0.6
119.36961	0.2
126.33462	0.2
128.06189	0.4
139.05388	0.3
141.06981	2.2
150.04828	0.2
152.06174	2.9
153.07004	2.4
155.04932	2.6
155.06049	0.3
155.08568	0.4
159.08020	0.8
165.06984	6.8
166.07788	1.9
167.08560	2.1
169.06461	6.5
169.07664	1.4
176.06200	0.8
177.06976	1.2
178.07761	57.3
179.08426	3.5
180.99213	0.2
181.06459	0.4
181.10118	1.1
183.04378	0.5
189.06996	2.8
190.07756	4.7
191.08542	15.4
192.09315	3.4
193.06454	0.7
193.10110	23.0
194.07271	1.4
194.10425	1.0
195.08112	1.4
197.05972	0.5
201.06950	0.4
202.07701	1.5
203.08519	1.4
204.09273	0.3
205.06424	2.0
206.07266	3.6
207.07988	0.7
208.08646	0.3
209.06004	0.4
209.09610	2.1
218.07253	0.9
219.08028	15.3
220.08617	1.3
221.05977	0.9
221.09578	4.3
222.06731	0.6
222.09793	0.2
223.07477	1.6
229.07581	0.5
232.08917	0.3
233.09502	0.3
234.06737	6.7
235.07332	0.7
237.05402	0.9
237.09169	1.4
238.88763	0.5
247.07518	14.7
248.08118	1.0
249.09082	100.0
250.06285	0.8
250.09457	3.7
251.07004	0.5
251.10670	0.6
261.08936	0.3
263.07089	0.5
264.07776	0.6
265.05392	0.5
265.08575	3.0
265.12344	0.3
275.07019	4.8
275.10571	0.8
275.19971	0.4
278.09317	0.5
293.08063	76.4
294.08380	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	293.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62575	0.3
56.86099	0.2
67.05868	0.2
70.11111	0.6
70.11479	0.5
94.07104	0.2
98.23318	0.3
117.49989	0.2
124.52891	0.2
140.73265	0.2
141.06950	0.3
152.06171	0.4
153.06972	0.8
154.07846	0.3
155.06123	0.3
155.08560	0.4
165.06992	3.5
166.07741	1.2
167.08565	1.8
169.06471	1.1
169.10185	0.3
176.06281	0.4
177.07042	0.5
178.07767	6.0
179.08571	2.8
180.09344	2.0
181.06477	0.9
181.10133	2.0
183.08057	0.3
189.06970	3.3
190.07765	7.7
191.08553	4.0
192.09230	0.9
193.06458	0.6
193.10106	3.2
194.07262	0.8
194.10767	0.4
195.08023	1.5
195.11673	2.5
201.47499	0.3
202.07727	3.2
203.08525	7.4
204.09329	9.7
205.06424	0.7
205.10106	9.7
206.07243	0.5
206.10638	0.5
207.08084	2.2
208.08791	4.2
209.05939	0.3
209.09567	2.5
209.13289	0.4
211.07584	0.3
214.07831	0.6
215.08473	0.8
217.06592	0.3
217.10107	0.7
218.07259	5.4
218.10770	0.3
219.08115	3.8
219.11670	8.5
220.08627	0.4
220.11952	0.4
221.06097	0.6
221.09560	2.5
222.06764	1.1
222.10287	1.5
223.07550	1.0
223.11162	11.3
224.11467	0.5
226.07840	0.5
227.08531	2.8
227.63963	0.3
228.09279	2.8
229.10097	7.8
231.07933	1.9
232.08815	5.0
233.09587	8.6
233.11885	0.5
234.06728	1.4
235.07509	4.7
236.08298	6.0
237.09024	1.8
237.12714	0.9
242.07169	0.3
243.08073	0.6
245.05997	0.6
245.09653	1.8
246.06772	0.7
246.10379	0.6
247.07558	1.6
247.11160	22.0
248.11551	1.2
249.09096	10.3
250.06093	0.4
250.06917	0.3
250.09865	7.4
251.10652	58.4
252.07736	0.4
252.10982	2.1
256.08704	0.3
257.09583	2.5
258.10312	0.7
259.07523	1.8
260.08344	3.5
261.08945	0.6
263.06879	1.2
264.07742	1.4
265.08582	18.8
265.12186	5.9
266.08963	0.9
273.09128	1.0
274.09937	0.6
275.10635	76.9
276.11133	4.5
277.08646	2.5
278.09351	41.1
279.09714	1.5
293.11679	100.0
294.08820	0.2
294.12006	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
59.60134	0.8
70.01860	2.4
70.06578	1.9
81.88625	0.7
86.49699	0.7
88.07616	1.4
98.23460	0.8
102.09181	1.3
103.09521	1.0
107.18092	0.7
124.11031	0.8
138.99429	0.7
141.07011	3.1
147.70424	0.8
152.06189	1.9
153.06981	2.1
155.04932	2.3
157.06502	1.1
165.07001	16.5
166.07779	15.2
167.08496	2.7
176.06300	1.1
178.07773	3.7
179.08549	3.8
181.06509	1.7
181.10101	16.7
189.06966	11.3
190.07753	23.0
191.08545	57.4
192.08891	1.1
194.07251	4.9
195.08012	3.9
202.07652	1.0
207.08025	1.4
208.08803	2.2
209.09633	7.3
218.07314	2.4
219.08032	92.6
220.08496	3.7
221.05984	2.8
222.06749	12.5
223.07358	1.8
228.47263	0.9
229.23511	1.0
230.23885	3.0
234.06868	0.9
235.07532	3.5
236.08293	1.4
237.09085	100.0
238.09357	3.9
247.07526	93.7
248.07895	3.2
249.09087	1.9
250.06332	1.0
251.06944	3.1
263.07047	2.8
264.07776	9.6
265.08578	67.2
266.08911	3.4
275.07336	1.1
275.20071	1.0
292.27521	9.5
293.08063	23.8
293.21075	1.0
293.27747	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0807
Annotation	Pongaglabol methyl ether
Peak:m/z	Relative Intensity
69.75938	1.6
74.88262	0.6
81.07054	0.9
123.11681	0.8
131.08543	0.9
139.58160	0.7
155.04921	5.2
155.06007	1.2
165.06998	4.8
166.07768	0.8
171.62885	0.7
177.06892	0.8
178.07759	25.9
179.08542	35.9
180.08868	1.4
181.10124	1.5
189.06978	8.8
190.07726	4.0
191.08534	7.6
207.08046	12.1
209.09631	0.9
217.06471	7.5
218.07280	1.8
219.08046	11.3
222.06676	1.3
234.06651	3.4
235.07520	90.4
236.07913	3.1
237.09061	10.1
247.07526	27.3
248.07898	1.7
262.06165	4.5
262.09885	2.2
263.07022	78.9
264.07520	4.0
265.08612	7.9
265.11472	0.9
265.11984	0.7
275.07004	20.2
276.07285	0.8
278.09439	2.5
284.02652	0.7
293.08081	100.0
293.11554	9.1
294.08411	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	293.0808
Annotation	3-benzoyl-6-phenyl-2H-pyran-2,4(3H)-dione
Peak:m/z	Relative Intensity
55.05486	0.5
57.07043	0.8
67.05470	0.5
69.07040	0.4
69.69632	1.3
79.05455	0.5
81.07013	0.7
91.05437	0.4
95.04977	0.5
95.08558	0.6
98.22763	0.8
109.10117	0.4
115.05424	0.4
121.10101	0.5
122.03596	0.7
123.04395	0.4
137.04938	0.6
137.05957	7.7
141.06940	1.1
152.06085	0.4
153.06918	0.7
161.82663	0.3
165.06953	4.5
166.07764	8.1
167.08618	0.9
169.06415	2.7
177.05434	0.4
177.70708	0.4
178.07764	1.2
179.08521	1.0
181.10109	3.5
185.05815	1.7
189.07019	2.0
190.07736	3.8
191.08549	6.8
194.07245	15.1
195.07970	1.6
199.23190	0.4
202.07843	0.5
204.09285	0.6
205.10277	0.5
208.08850	1.2
209.09596	16.7
209.11507	0.7
210.09929	0.5
218.07297	0.6
219.08020	6.5
221.05656	0.4
221.09618	0.4
222.02188	0.4
222.06784	2.5
223.07613	0.6
235.07475	0.5
236.08339	0.5
237.09071	10.4
237.11201	0.7
247.07521	2.9
247.11285	0.9
248.08311	0.5
249.09070	0.9
250.06210	11.3
251.06870	1.2
251.10617	2.0
264.07813	0.5
265.08569	48.5
266.08884	1.9
275.06955	2.4
275.10617	1.8
278.05679	1.6
278.09354	1.4
292.27493	1.5
293.08051	100.0
294.08453	4.5
294.11853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0809
Annotation	2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
Peak:m/z	Relative Intensity
51.19083	1.1
55.01862	2.0
57.07071	2.0
62.13964	1.2
67.05499	2.2
69.07053	1.2
70.08876	2.4
70.09212	1.3
81.03445	1.1
81.30392	1.1
86.18820	1.0
89.02396	1.4
93.07027	0.9
95.04958	1.8
95.08614	1.2
95.12247	1.0
105.07014	2.0
123.08065	1.2
126.07530	1.5
141.06996	4.1
151.11201	1.6
152.06206	1.8
153.06992	3.4
155.04910	1.1
165.06981	26.2
166.07765	25.4
167.08513	4.2
173.37524	1.0
177.05498	1.4
177.07007	1.3
178.06311	1.8
178.07765	3.7
179.08521	4.7
180.09319	1.4
181.06514	1.4
181.10100	23.1
183.08055	1.6
189.07031	7.3
190.07758	18.9
191.08545	34.3
193.06573	1.3
194.07249	10.1
195.07948	2.3
202.07759	1.1
203.08534	1.5
204.09351	4.0
207.07991	1.3
208.08775	1.8
209.09616	15.8
218.07333	2.6
219.08046	34.4
219.11494	2.4
221.05954	3.0
222.04808	1.8
222.06760	18.7
222.10315	1.3
223.07524	3.5
224.04541	1.6
232.08734	1.6
233.11708	2.7
235.07480	2.4
236.08296	2.9
237.09077	59.2
238.06285	1.7
238.09451	1.8
239.06964	4.0
247.07545	12.4
247.11208	6.1
249.08984	3.0
250.06323	5.7
250.09958	1.7
251.07007	3.7
251.10481	2.1
260.08273	2.1
263.07053	2.0
264.07770	4.1
265.08582	100.0
265.11816	3.7
266.08948	6.5
267.06485	29.2
275.07047	5.5
275.10541	5.6
276.07770	2.9
278.05881	2.4
278.09351	5.7
293.08041	80.6
293.11615	20.2
293.14975	2.2
293.20911	2.0
294.08405	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1164
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
53.03941	0.8
55.01866	4.4
55.05507	1.0
59.04974	0.7
60.04507	1.6
61.01145	15.1
69.03416	0.7
69.42113	2.7
70.06558	0.8
70.63467	0.6
71.04976	1.1
71.06105	1.1
71.24709	0.6
72.04505	15.1
73.02916	2.7
77.00646	0.8
78.03786	28.0
81.03413	3.6
83.04967	1.8
84.08139	1.1
85.02898	18.0
86.06065	4.1
89.07132	0.7
98.02388	1.4
98.06041	0.9
98.23503	0.6
99.04451	13.6
102.03758	41.8
103.02177	4.3
103.03932	29.8
104.01690	1.7
109.02861	5.6
109.80714	0.6
112.07594	1.1
114.03743	3.9
114.05530	2.3
115.02126	1.3
115.05033	1.3
118.03241	1.2
120.04794	8.6
126.05506	33.5
127.03894	11.5
127.05860	0.7
131.06374	19.8
132.04773	14.3
134.07962	0.8
141.06575	1.7
145.04965	0.8
147.05838	2.8
149.07426	100.0
150.07729	1.9
152.07104	3.4
154.08630	4.7
156.06544	1.9
158.02707	1.1
175.05376	4.6
180.06535	25.1
186.05847	1.6
191.08612	1.0
198.07593	8.0
204.06866	0.9
216.08627	5.3
222.07954	1.3
231.11597	8.1
233.09485	2.0
256.24594	0.6
257.09573	3.4
275.10635	5.5
277.26395	0.6
293.11615	75.8
294.12012	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	293.1168
Annotation	Zenkequinone B
Peak:m/z	Relative Intensity
57.07059	0.3
65.56318	0.3
67.05523	0.4
91.05486	0.4
95.08595	0.4
98.97590	0.4
113.85899	0.4
118.20242	0.3
119.27378	0.4
125.53388	0.4
132.06236	0.4
141.07011	0.7
141.53952	0.3
152.06233	1.0
153.06964	1.0
155.08594	0.6
165.06976	4.3
166.07758	1.4
167.08568	4.2
169.06517	0.4
169.10059	0.7
176.34663	0.5
177.06976	1.4
178.07726	3.1
179.08551	11.3
180.09285	1.7
181.10095	1.0
183.07980	1.2
183.09372	0.4
189.06976	8.6
190.07787	3.3
191.08592	1.9
193.06482	0.8
193.10110	5.8
194.07304	0.5
194.10919	3.7
195.08002	2.2
202.07718	2.2
203.08536	9.4
204.09315	23.3
205.09990	2.0
206.07198	0.5
207.08005	3.3
208.08777	1.0
209.09602	0.9
209.13274	1.1
215.08557	0.5
217.06500	0.8
217.10062	0.6
218.07286	1.9
218.10887	0.8
219.08034	1.9
219.11652	21.7
220.11920	0.5
221.06059	0.6
221.09619	3.3
222.06799	1.8
222.10342	6.1
223.07538	7.0
223.11014	2.5
224.11520	0.4
228.09296	1.5
229.10083	4.4
230.10658	0.5
231.08052	2.7
232.08812	14.4
233.09500	1.4
234.06685	0.5
235.07520	10.6
236.08301	2.9
237.09015	0.8
237.12709	1.4
238.06165	0.7
238.88908	1.2
247.11159	53.1
248.11540	2.5
249.09073	5.5
250.06177	0.7
250.09843	5.8
251.07008	10.2
251.10625	2.0
252.07542	0.5
257.09552	0.8
259.07501	2.9
260.08295	9.7
261.08862	0.7
263.07010	11.4
264.07779	2.6
264.10959	0.4
265.08649	1.5
265.12219	9.8
275.10632	38.4
276.10968	1.9
277.08554	2.0
278.09335	30.2
279.09766	1.5
279.18646	0.5
293.11661	100.0
294.12033	4.4
311.12711	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1173
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
55.01886	0.3
55.05505	0.3
57.07059	0.3
64.74391	0.2
69.78298	0.4
69.78644	0.7
71.40192	0.2
79.05472	0.5
81.06992	0.3
85.92663	0.2
87.60577	0.2
93.07005	0.4
98.23373	0.3
121.06471	0.5
131.08490	0.2
135.21135	0.2
149.09656	0.3
152.06177	0.6
159.58411	0.2
165.06952	1.5
166.07776	0.7
167.08569	1.9
169.10086	0.3
177.06964	0.6
178.07750	1.3
179.08536	3.4
180.09261	0.8
183.08084	0.7
189.06966	5.3
190.07739	2.4
191.08516	3.2
193.06425	0.3
193.10132	2.6
194.07343	0.3
194.10904	1.6
195.08025	1.4
195.11694	0.4
202.07715	1.4
203.08540	5.4
204.09323	14.4
205.06573	0.3
205.10002	1.3
206.07254	0.4
207.08026	1.4
208.08775	0.6
209.09549	0.4
209.13188	1.0
213.06961	0.3
214.07729	0.6
215.08607	0.4
217.06456	0.6
217.10164	0.5
218.07243	1.5
219.08215	3.9
219.11662	14.8
220.12009	0.7
221.09622	1.3
222.06873	1.3
222.10342	3.8
223.07533	4.7
223.10995	1.2
224.07811	0.3
228.09285	0.7
229.10078	3.2
231.07918	1.4
232.08818	9.7
233.09468	1.1
235.07512	5.3
236.08253	2.0
237.09041	0.5
237.12843	0.6
238.06091	0.4
238.88664	0.3
243.08160	0.3
245.06006	0.3
246.06689	0.4
246.10269	0.6
247.07613	1.5
247.11162	35.3
248.11528	1.5
249.09035	2.3
250.09885	4.0
251.06998	6.9
251.10623	1.1
252.07732	0.4
257.09579	0.6
258.10141	0.3
259.07523	1.9
260.08301	7.3
261.08893	0.5
263.07016	6.6
264.07822	1.7
265.08609	1.4
265.12192	5.8
275.07083	3.5
275.10608	23.8
276.11136	1.3
277.08661	1.2
278.09351	21.5
279.09796	1.0
292.22638	0.6
293.11679	100.0
293.20465	3.3
294.12045	5.2
296.55917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.117
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
51.12621	0.2
57.07057	0.3
69.67776	0.5
69.68156	0.5
78.88482	0.2
79.05503	0.2
79.41548	0.2
96.63670	0.2
130.82176	0.2
133.70879	0.3
152.06241	0.4
165.07008	1.4
166.07698	0.9
167.08571	1.8
174.91383	0.2
177.06999	0.6
178.07791	0.7
179.08545	3.3
180.09320	1.2
181.04988	0.3
181.10123	0.3
183.08060	0.3
185.56102	0.2
189.06961	5.0
190.07724	1.8
191.08514	1.4
192.09297	0.3
193.06500	0.4
193.10095	2.7
194.10898	1.7
195.08134	1.3
195.09650	0.2
195.11664	0.5
202.07800	1.0
203.08551	5.2
204.09323	15.4
205.06615	0.5
205.09950	1.3
206.07248	0.4
207.07922	1.3
208.08742	1.0
209.09583	0.5
209.11577	0.6
209.13322	0.6
214.07748	0.3
217.06573	0.5
217.10030	0.5
218.07317	1.2
218.10713	0.3
219.08089	0.9
219.11679	14.0
220.12038	0.8
221.09593	1.2
222.06802	1.6
222.10326	2.7
223.07527	4.2
223.11099	1.6
226.66801	0.2
227.08488	0.6
228.09344	0.6
229.10098	2.6
231.08017	1.2
232.08809	10.2
233.09473	1.1
235.07483	4.9
236.08273	2.2
237.09047	0.6
237.11096	0.8
237.12935	0.6
238.06258	0.7
243.08020	0.4
246.10335	0.6
247.11160	34.3
248.11574	1.6
249.09035	2.3
250.06049	0.3
250.09850	4.0
251.06995	6.9
251.10567	0.8
252.07733	0.4
257.09610	1.0
259.07507	1.7
260.08307	6.9
261.09006	0.6
263.07013	5.6
264.07770	1.5
265.08655	0.8
265.12192	5.3
275.10635	24.6
276.10959	1.1
277.08569	1.2
278.09354	20.4
279.09717	1.1
293.11688	100.0
294.12024	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	293.1169
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
62.72180	0.3
63.19260	0.2
69.93073	0.5
72.53235	0.2
83.45147	0.3
87.74303	0.3
92.27570	0.3
136.41835	0.2
155.08568	0.4
165.06985	1.1
165.31830	0.3
166.07872	0.4
167.08557	1.5
177.07007	0.4
178.07811	0.9
179.08543	3.3
180.09277	0.7
181.78452	0.3
183.08061	0.6
189.06943	4.0
190.07730	1.5
191.08557	0.7
193.10065	2.0
194.10898	1.5
195.08038	1.1
195.11711	0.3
196.09016	0.3
202.07797	1.0
203.08546	4.5
204.09320	14.1
205.10004	1.2
207.08084	1.6
208.08751	0.5
209.13333	0.7
214.07779	0.6
216.61536	0.3
217.06490	0.6
218.07227	0.8
219.08087	1.0
219.11670	12.2
220.12100	0.5
221.09610	1.4
222.06760	1.0
222.10376	3.8
223.07503	4.6
223.11086	1.1
228.09354	0.6
229.10060	3.0
231.08044	1.0
232.08812	8.3
233.09439	1.1
234.06790	0.5
235.07495	4.7
236.08267	2.1
237.09088	0.6
237.11037	0.6
237.12988	0.4
243.07912	0.4
245.05794	0.4
246.06740	0.4
246.10449	0.3
247.11159	31.0
248.11589	1.6
249.09073	2.6
250.09869	3.2
251.07016	6.6
251.09850	0.5
252.07645	0.3
257.09702	0.5
259.07465	1.3
260.08310	6.3
261.08813	0.7
263.07010	7.2
264.07761	1.5
265.08646	1.0
265.12189	4.9
275.10635	20.3
276.11063	0.9
277.08676	1.8
278.09341	20.7
279.09735	1.0
293.11679	100.0
294.12021	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	293.123
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03959	5.9
56.96559	20.4
57.03417	6.6
57.07070	12.9
61.02917	7.5
67.05505	24.7
69.03427	12.8
69.97817	11.7
69.98147	8.5
71.01323	6.4
71.04982	11.9
84.04507	5.0
85.02896	88.1
91.08541	4.7
95.04937	26.2
97.02913	12.0
98.97569	81.4
98.98204	6.6
98.98479	5.8
99.04499	6.9
103.05502	5.4
113.05997	67.2
116.98619	59.4
117.06761	4.6
127.03947	13.0
128.98657	6.9
131.07034	100.0
134.99626	34.8
136.07628	5.3
145.04950	16.8
153.00688	10.5
177.00696	8.2
207.04141	5.8
251.04442	10.3
274.93445	5.6
274.97421	27.2
292.94824	18.0
292.98538	21.6
310.95847	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	293.1382
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03929	0.9
55.05507	24.4
56.05824	0.3
57.28771	0.3
65.03928	1.4
67.05507	0.4
69.10868	2.1
73.06548	10.0
74.19727	0.3
81.03395	0.4
81.07061	0.5
91.05468	2.3
95.08600	0.3
98.22701	0.5
103.05463	0.4
109.02897	0.3
109.10160	0.5
111.04404	0.3
111.82105	0.3
119.08559	0.4
121.02857	6.1
121.03941	0.8
129.06990	2.9
131.04936	1.5
131.08557	2.8
143.04945	1.6
147.08038	0.7
149.02327	100.0
150.02675	1.7
157.06474	0.8
161.05945	6.0
167.03358	0.8
175.07535	18.8
176.07854	0.6
185.05920	0.8
203.07011	21.4
204.07327	0.7
221.08072	0.8
227.32063	0.3
255.61719	0.3
275.09869	0.5
275.12723	3.1
287.10672	0.3
293.13831	2.1
293.21207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1382
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03933	0.9
55.05505	23.5
56.49129	0.3
63.82777	0.3
64.05388	0.3
65.03934	1.6
67.05492	1.0
69.07052	0.8
69.28181	1.6
73.06155	0.6
73.06547	10.0
79.05479	0.6
81.03410	0.5
81.07049	1.6
91.05471	2.9
93.03397	0.6
93.07041	0.9
95.04946	0.8
95.08585	0.7
98.98446	0.4
101.05402	0.3
101.06020	2.0
103.05457	0.7
105.07021	0.7
107.08563	0.8
109.10147	0.5
111.04448	0.4
117.06997	0.4
119.08549	0.8
119.40981	0.3
121.02851	6.1
121.03959	1.4
121.10131	0.6
123.08005	0.3
129.06976	3.0
131.04918	1.1
131.08551	3.3
133.06520	0.4
133.10167	0.5
143.04901	1.4
145.10161	0.7
147.08095	0.7
149.02322	100.0
149.28853	0.3
150.02667	1.6
157.06487	0.8
161.05963	5.7
167.03391	1.5
175.07527	18.4
176.07869	0.6
176.90463	0.3
185.05957	1.3
203.07007	24.2
204.07388	0.5
221.08104	0.8
228.90720	0.3
232.30072	0.3
275.12799	3.4
275.20047	1.1
293.04605	0.5
293.13858	3.0
293.21063	1.1
306.04468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1743
Annotation	9beta-Acetoxy-4,5-dehydro-4(15)-dihydrocostic acid
Peak:m/z	Relative Intensity
50.23080	3.1
52.06461	3.4
53.03937	3.0
55.01860	8.0
55.05511	29.5
57.07064	8.2
67.05498	33.8
69.07063	8.6
71.04985	4.5
75.72511	3.0
79.05486	39.7
81.03427	4.2
81.07048	62.8
83.04983	11.1
83.08624	5.4
85.06551	7.8
85.49252	2.9
91.05473	68.9
91.05990	6.0
93.07040	42.5
95.04959	30.6
95.08593	26.7
97.06520	8.2
97.10143	4.9
99.04461	4.3
105.07020	100.0
107.04926	19.7
107.08581	37.3
109.06496	9.7
109.10135	8.6
111.04468	5.5
111.08127	5.3
115.05455	11.0
116.06231	4.4
117.06998	53.1
119.08563	54.5
121.06497	11.9
121.10105	11.9
123.08048	4.7
125.05979	5.6
125.09611	11.1
128.06195	7.7
129.06987	29.4
130.07767	4.8
131.08559	83.4
132.08932	3.1
133.06479	6.9
133.10124	58.3
134.10558	3.7
135.08037	13.7
135.11691	6.6
137.09615	4.1
141.06958	7.1
142.07791	44.5
143.08528	12.6
144.09341	4.9
145.06459	10.4
145.10110	59.7
145.25505	3.0
147.08041	8.7
147.11685	37.7
149.09624	13.0
151.11165	3.9
155.08537	15.9
156.09288	5.4
157.10115	84.0
159.08029	9.2
159.11694	41.7
161.09595	7.4
161.13266	4.1
163.11172	8.5
165.12793	3.7
167.08548	5.2
169.10112	10.4
171.11661	7.7
172.12602	3.3
173.09586	10.1
173.13254	18.9
175.11172	84.4
175.14679	3.8
177.12723	6.5
182.10907	10.7
185.13278	3.3
187.11307	4.5
187.14796	29.9
189.12648	3.2
191.10709	4.9
191.14294	7.9
197.13249	30.2
205.15855	5.4
209.11737	12.9
215.14290	81.6
223.05177	3.3
233.15367	44.3
237.11258	15.4
247.07585	5.2
251.16533	5.4
275.16434	9.7
275.20062	19.1
293.17395	23.9
293.20605	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	293.1744
Annotation	6-Acetylfuranofukinol
Peak:m/z	Relative Intensity
55.05511	11.8
56.96629	4.8
57.03413	4.9
57.07071	13.7
67.05478	20.7
68.55385	4.5
69.07058	9.4
69.92650	14.4
71.04983	7.9
79.05473	30.2
81.07040	49.7
83.04962	15.0
85.06525	7.1
91.05473	54.3
93.07031	68.9
95.04951	23.6
95.08585	22.1
97.06515	9.3
105.07016	91.8
107.04926	8.4
107.08590	40.9
109.06500	18.4
111.04401	7.5
117.07020	52.4
119.04908	4.5
119.08570	52.4
121.06490	21.3
121.10099	18.9
123.08046	15.3
125.09631	7.1
129.06996	33.1
131.07643	3.7
131.08549	87.9
132.09273	5.5
133.10107	51.5
135.08058	22.5
135.11693	9.7
137.09555	6.9
141.06956	7.0
142.07776	40.8
143.08546	19.0
144.09370	6.7
145.10095	68.8
147.08075	10.4
147.11676	38.6
149.09595	13.8
153.09102	15.1
155.08528	19.0
156.09322	9.4
157.10121	92.9
159.08008	9.2
159.11684	51.6
161.09570	10.6
161.13237	6.8
163.14821	7.9
167.08568	8.9
169.10089	16.1
171.11664	14.4
173.09578	5.7
173.13242	37.9
175.11180	71.3
181.04973	5.3
182.10890	10.8
184.28363	5.1
187.14804	40.2
191.14317	9.7
197.13194	23.3
205.15852	7.4
209.11678	7.9
215.14291	82.6
233.15331	100.0
237.11104	13.6
237.54300	5.0
251.16389	10.5
275.19955	7.1
293.17386	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	293.1745
Annotation	9beta-Acetoxy-4,5-dehydro-4(15)-dihydrocostic acid
Peak:m/z	Relative Intensity
55.05516	6.3
57.07054	4.1
65.16432	2.4
67.05486	7.5
69.03418	7.2
69.07052	6.3
70.83952	3.6
71.04989	4.7
79.05487	14.8
81.07043	20.7
83.04960	2.5
87.15137	2.3
91.05466	28.5
93.07037	25.0
94.06557	3.2
95.04969	8.6
95.08587	17.9
97.06531	5.9
105.07020	46.7
107.04938	3.9
107.08588	19.4
109.06498	11.9
115.05437	3.3
117.07027	12.7
119.08570	46.5
121.06483	7.9
121.10107	10.5
123.08083	4.7
128.06216	4.9
129.06981	10.7
131.08559	36.3
133.06471	3.1
133.10120	15.4
135.08017	4.9
141.06956	4.8
142.07774	17.6
143.08542	18.8
145.10118	61.2
147.08025	5.1
147.11641	16.1
149.09575	5.6
149.13266	4.7
155.08536	9.7
156.09364	5.2
157.10106	41.9
158.10710	2.7
159.08047	6.5
159.11688	29.2
161.09534	3.1
161.13234	19.4
163.07578	3.4
167.08485	3.3
169.10121	6.1
171.11702	19.2
172.12425	3.2
173.09573	8.4
173.13220	13.0
175.11171	25.3
177.05466	15.0
177.09029	3.3
178.06297	15.2
182.10912	7.5
185.13220	3.6
187.14809	45.0
189.12761	11.2
191.06952	4.4
191.14259	3.5
197.13284	17.4
203.14262	3.4
205.15854	6.3
209.11667	3.4
215.10901	3.0
215.14287	38.7
231.75624	3.2
233.11847	16.0
233.15355	41.6
251.16335	3.5
275.16452	3.2
275.20209	3.2
293.17426	100.0
293.20505	4.6
294.17883	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	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01851	6.9
55.05504	26.7
55.14993	1.7
55.69173	1.7
57.07059	3.8
67.05494	19.7
69.07061	12.1
69.29498	3.4
69.29884	5.1
71.04979	1.7
74.83965	1.7
79.05483	19.2
79.44132	1.9
80.69983	1.7
81.03408	5.4
81.07043	22.3
83.04967	4.1
83.08617	14.8
85.02863	3.1
91.05476	8.8
93.07037	19.6
95.04958	100.0
95.08585	14.5
97.06518	2.2
97.10158	7.7
100.46444	1.7
105.07012	12.3
107.04939	11.1
107.08578	13.0
109.06512	7.7
109.10127	6.2
111.08036	3.1
117.07007	6.5
118.57014	1.8
119.08570	9.2
121.06480	5.1
121.10107	5.5
123.08050	5.8
123.11679	2.3
125.09634	5.1
131.08511	5.5
133.10098	8.2
135.08018	4.2
135.11661	5.7
137.09604	2.6
145.10088	8.6
147.08043	3.5
147.11671	3.2
149.09592	24.9
149.13249	2.3
159.11668	5.1
161.13252	2.4
163.11174	21.2
165.12689	2.2
177.12741	2.6
187.11160	3.4
189.11171	3.5
189.12846	2.1
194.37447	1.9
205.12161	3.5
223.13266	29.0
223.15303	3.5
229.19505	2.6
238.88777	7.0
247.20526	2.8
257.19003	4.6
275.20035	25.5
293.21054	37.4
293.28165	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	5.8
55.01867	13.7
55.05505	30.9
56.80780	1.7
57.03426	3.4
67.05496	47.1
69.03423	2.9
69.07060	22.3
71.05002	2.6
79.05487	56.8
80.30318	1.9
81.03411	12.0
81.07047	67.7
83.04976	9.8
83.08605	13.7
85.06536	2.3
91.05476	41.1
91.98908	1.8
93.07034	41.0
95.04965	21.7
95.08598	32.6
97.06515	14.4
97.10168	12.2
98.97597	3.1
105.07016	41.9
107.04947	8.9
107.08575	63.0
109.06504	19.6
109.10143	16.6
111.08048	3.7
115.01225	1.8
117.06974	14.3
119.08545	22.7
121.06503	6.0
121.10133	15.5
121.25334	2.4
123.08044	8.4
123.11675	3.6
125.09596	14.7
129.07008	3.6
131.08553	20.1
133.10129	24.5
135.08049	7.8
135.11662	6.8
137.09601	6.6
145.10107	14.5
147.11662	17.7
149.09579	18.1
149.13231	4.4
151.11177	12.8
157.10144	4.1
159.11664	16.4
161.09683	2.3
161.13210	6.3
163.11185	9.9
165.09102	11.0
165.12729	3.5
169.10092	2.3
171.11656	4.3
173.13251	7.2
175.11221	3.9
177.12695	4.6
183.11603	3.4
185.13300	3.1
187.11212	4.5
189.11224	6.9
197.13167	2.9
219.17349	2.9
229.19473	5.2
239.17847	4.0
247.20459	9.9
257.18921	13.5
275.20026	100.0
276.20270	4.3
293.11453	2.7
293.21082	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03941	26.7
55.01869	9.5
55.05505	16.3
65.03922	2.4
67.05499	48.0
67.22699	2.4
69.07057	65.8
69.73607	2.7
69.73951	7.8
72.31329	2.2
73.94463	2.2
79.05486	37.4
81.03410	60.9
81.07052	59.8
83.04973	9.4
83.08606	4.0
91.05475	30.0
93.07040	32.4
95.01315	4.1
95.04964	21.9
95.08606	34.6
97.06507	14.7
97.10163	3.5
99.08088	3.5
103.05413	2.6
105.07021	40.9
107.04935	21.3
107.08581	23.5
109.06517	7.9
109.10169	8.6
111.08066	3.6
117.07005	10.5
119.08562	18.3
121.06494	8.6
121.10161	7.5
123.08069	13.2
125.09625	7.0
126.80859	2.7
131.08585	15.3
133.10136	22.7
135.08078	3.9
135.11711	12.1
139.07558	2.9
141.06969	4.7
145.06520	6.3
145.10138	16.5
147.11662	10.9
149.09596	17.1
149.13257	3.7
151.11224	6.1
157.10234	3.3
159.11650	14.7
161.13246	6.4
161.85754	2.5
163.11185	6.0
169.10130	3.8
177.12747	5.7
179.14299	22.0
180.70982	2.4
187.11176	5.2
190.55214	2.2
239.17998	3.8
247.20668	3.4
257.18945	5.3
275.10458	2.8
275.20032	53.3
293.11780	3.3
293.21075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03943	5.3
55.01871	5.7
55.05506	28.4
56.44879	1.3
57.03432	3.5
57.07064	2.5
65.03954	2.5
67.05499	51.5
67.05865	2.5
69.03415	2.8
69.07060	36.8
69.76555	1.6
69.76891	4.0
71.04986	6.2
77.03931	2.1
77.20299	1.4
79.05488	45.1
81.03404	10.8
81.07048	100.0
81.78870	1.3
82.07398	1.9
83.04980	6.3
83.08616	15.1
85.06546	4.2
91.05475	33.7
93.07034	33.3
95.04958	36.8
95.08596	33.3
97.06531	5.9
97.10159	3.2
105.04543	1.9
105.07018	38.0
107.04956	6.9
107.08581	20.1
109.06512	23.3
109.10137	17.5
111.08050	7.4
115.07568	1.4
117.07004	8.5
119.08564	29.3
121.06496	4.7
121.10133	16.2
123.08057	24.0
123.11686	6.7
125.09634	2.5
129.07036	3.4
131.08568	13.3
133.10120	23.9
135.08064	5.6
135.11697	7.0
137.05978	15.1
137.09599	10.3
143.08549	1.9
145.10133	13.4
147.11664	19.5
149.09578	11.0
149.13284	3.8
151.11179	5.0
155.08607	2.1
157.10065	3.1
159.11693	6.4
161.09563	2.4
161.13240	2.7
163.11156	8.6
165.09215	1.4
165.12698	2.9
171.11737	3.0
173.13284	7.2
175.11211	2.6
177.12764	2.3
177.42590	1.3
183.11688	2.1
185.13290	2.0
201.12679	3.0
207.13832	1.8
219.17381	2.3
229.19568	2.9
237.14853	2.0
239.17990	3.7
247.20561	3.9
257.19000	8.0
275.20047	51.5
276.20370	4.1
293.21057	38.5
294.21304	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03952	1.6
55.01870	8.0
55.05504	9.9
57.03426	1.3
57.07060	2.1
57.30632	1.0
65.03914	2.7
67.05161	1.8
67.05498	26.6
69.02666	1.1
69.03426	2.3
69.07063	11.0
69.13021	6.3
71.04997	2.4
79.05490	24.6
79.87163	1.1
81.03392	2.4
81.07048	50.5
83.04985	5.9
83.08617	5.3
85.06524	4.4
91.05468	17.8
92.73162	1.2
93.07034	32.7
95.04958	10.1
95.08595	22.5
97.06525	11.6
97.10157	2.8
105.07017	22.0
105.32605	1.4
107.04935	3.4
107.08587	21.4
109.06506	17.2
109.10151	7.0
111.08060	3.4
113.05984	1.3
116.98553	1.3
117.07013	8.9
119.08586	12.8
121.06480	8.1
121.10134	13.5
123.08054	15.4
123.11687	1.6
125.09600	1.6
129.06996	2.7
131.08560	19.3
133.06490	3.4
133.10098	11.9
135.08046	12.6
135.11700	5.6
137.05923	1.5
137.09608	4.7
141.06938	1.7
143.08554	3.2
145.06441	1.6
145.10130	13.1
147.08037	3.0
147.11664	8.2
149.09601	14.5
149.13225	4.8
151.11154	2.0
155.08514	2.6
157.10094	4.4
159.11658	10.9
161.09586	2.9
161.13293	2.2
163.11163	6.3
169.10083	2.0
171.11693	2.0
173.13260	6.8
175.11182	3.9
177.12715	3.7
183.11630	3.8
187.11098	1.6
187.14793	1.6
189.12770	2.1
191.14268	5.0
197.13176	1.4
201.12682	8.6
205.15840	1.7
205.19577	1.6
207.13695	1.9
209.11684	1.6
215.17947	3.6
219.13828	6.2
219.17419	1.8
229.19533	1.6
233.15298	2.0
235.16730	1.4
237.11124	2.2
238.88901	2.5
239.17911	2.9
247.20512	5.6
257.18918	13.2
275.20035	99.9
276.20398	3.8
278.09366	1.4
293.11823	3.4
293.21069	100.0
294.21509	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03941	1.9
55.01872	5.2
55.05503	12.4
57.03428	2.0
57.07067	3.7
57.60038	0.9
60.61375	1.1
67.05498	25.7
69.03423	7.3
69.07060	22.7
69.22701	5.6
71.04987	3.2
74.24329	1.0
79.05485	22.9
80.05810	1.1
81.03399	1.2
81.07049	30.8
81.41206	0.9
83.04970	9.2
83.08596	5.6
91.05467	20.5
93.07037	25.2
95.04960	10.7
95.08590	20.2
95.09141	1.7
97.06516	4.4
97.10166	2.3
98.97601	1.0
105.07023	26.1
107.04939	7.0
107.08588	15.9
109.06507	11.7
109.10146	8.4
111.08086	2.8
117.07010	6.7
117.94190	0.9
119.08559	14.8
121.06480	10.2
121.10128	10.9
123.08054	5.4
123.11697	3.2
129.06992	2.2
130.07819	1.4
131.08551	15.2
133.06506	1.7
133.10120	16.7
135.08000	5.8
135.11670	5.4
137.09618	3.6
141.07024	1.1
142.07784	2.5
143.08505	2.6
143.57013	0.9
145.06499	1.2
145.10115	12.6
147.08084	3.5
147.11667	12.8
149.09595	5.2
149.13254	2.9
151.11153	7.5
155.08591	2.0
157.10115	10.2
159.08052	2.0
159.11690	8.9
161.09625	4.5
161.13272	1.8
163.11171	5.8
163.14871	1.2
165.12717	1.2
171.11710	3.9
173.09625	4.0
173.13228	5.7
175.11111	5.7
177.12715	1.8
179.14285	1.3
183.11557	1.9
185.13286	1.3
187.11182	2.6
187.14856	3.9
189.12744	1.8
191.14363	3.0
197.13301	3.2
201.12715	2.5
207.13771	2.1
209.19052	1.1
215.14290	2.9
215.17775	1.2
219.13814	6.0
229.19545	2.6
230.41705	1.0
231.17372	1.2
233.11685	1.5
233.15334	3.4
233.19080	1.2
239.18002	3.6
247.20561	3.5
257.18964	14.4
261.09903	1.0
275.20038	100.0
276.20422	4.1
293.17569	2.7
293.21048	27.9
294.21411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.05504	15.9
57.03428	1.9
57.07059	3.3
57.47946	1.4
59.04981	4.3
67.05502	18.5
69.03420	7.9
69.07071	9.7
71.04991	2.7
79.05490	10.7
81.07050	22.5
83.04975	12.2
83.08609	4.2
85.02898	3.1
85.06535	4.6
91.05453	10.0
93.07041	18.1
94.16105	1.4
95.04403	2.1
95.04955	15.4
95.08604	15.7
97.06504	7.9
97.10155	2.5
99.08051	1.7
100.11241	3.4
101.06014	17.0
103.05472	1.9
103.13865	1.5
105.07011	13.3
107.04926	2.9
107.08592	21.0
109.06497	5.4
109.10149	13.2
111.08065	5.9
113.06011	1.7
113.09626	2.5
117.06992	3.5
119.07993	1.2
119.08597	12.1
121.06496	7.9
121.10133	23.4
123.04417	23.3
123.08051	3.5
123.11707	4.4
125.09609	13.3
127.07500	2.5
131.04909	3.4
131.08597	7.6
133.10121	10.9
135.08038	10.4
135.11670	4.7
137.05911	2.0
137.09593	4.8
139.07526	1.6
139.11151	3.7
145.06483	2.8
145.10124	7.3
147.08015	2.4
147.11659	4.2
149.02351	2.9
149.05963	1.7
149.09627	12.8
149.13245	3.8
151.11160	4.2
153.09074	8.3
155.08588	1.6
159.08043	3.1
159.11687	7.4
161.09583	3.6
163.11143	7.9
163.14784	2.5
165.09146	2.6
167.10667	2.7
171.11658	2.4
173.09660	3.2
173.13263	8.3
175.14856	3.6
177.09123	2.4
177.12733	3.0
179.09055	1.6
179.10622	13.1
181.12213	3.1
185.13388	1.5
187.11172	3.4
187.14810	4.8
189.12633	2.1
191.10591	1.8
191.14305	5.9
199.14853	3.0
205.12131	2.4
209.15315	2.2
217.15858	3.3
229.19600	1.8
233.15288	4.8
239.17868	2.8
247.20578	2.7
257.18964	6.2
275.09171	2.6
275.20016	44.7
286.19037	1.6
293.07956	1.6
293.11804	2.7
293.21091	100.0
294.21362	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03921	1.9
55.01863	5.9
55.05262	1.4
55.05507	20.8
57.03419	1.7
57.07064	2.3
62.65822	0.9
65.03941	1.0
67.05155	1.4
67.05500	15.8
69.03436	1.5
69.07059	8.2
70.20204	1.9
71.04973	2.6
74.96842	0.9
79.05487	18.9
81.03415	7.1
81.07049	20.2
83.04957	3.6
83.08625	11.9
85.02885	2.3
85.06547	1.6
91.05480	11.8
93.07041	14.1
94.62030	0.8
95.04959	100.0
95.08598	11.7
96.05296	0.9
97.06519	2.0
97.10147	5.3
98.22719	1.2
99.08082	1.6
105.07038	8.7
107.04961	9.4
107.08585	11.0
109.06527	7.9
109.10129	4.7
111.08062	3.6
113.09658	1.1
117.07019	5.3
119.08586	8.0
121.06478	3.1
121.10111	6.7
123.08071	4.3
125.09623	4.6
129.06982	1.9
131.08551	5.5
133.10078	4.6
135.08063	3.0
135.11676	4.7
137.05959	2.3
137.09581	3.4
141.06941	1.0
141.09033	1.1
143.08569	2.0
145.10124	10.6
147.08070	4.3
147.11681	3.6
149.09595	14.5
149.13269	1.1
151.11131	1.9
159.11705	4.2
161.09631	1.3
163.11157	19.8
163.12448	1.6
165.12723	3.5
169.10106	1.2
173.13290	0.9
177.12712	3.5
183.11899	0.9
187.11147	3.8
189.11192	2.7
191.10736	1.3
205.12247	6.4
205.60117	0.8
218.99356	0.9
223.13260	29.8
237.11113	2.3
247.20522	1.2
257.18933	1.7
275.20007	22.7
276.20538	1.0
293.21057	49.9
294.21283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.44378	1.6
53.03943	5.8
55.01875	12.6
55.05508	35.9
55.37770	1.5
57.03429	3.0
57.07062	5.9
58.05716	1.6
65.03928	3.8
67.05501	60.3
69.03423	2.6
69.07065	34.1
69.74557	5.5
71.04977	4.6
71.08626	3.2
79.05490	54.9
80.20778	1.5
81.03419	10.6
81.07052	100.0
83.04970	7.3
83.08614	22.1
85.06547	6.1
91.05473	34.1
93.07040	39.3
95.01312	1.5
95.04961	17.8
95.08598	58.9
97.06528	14.6
97.10162	13.5
99.08066	3.7
105.04511	1.8
105.07024	40.7
107.04939	10.3
107.08580	46.0
109.06499	15.7
109.10146	30.2
111.04496	2.1
111.08064	6.0
111.11703	3.3
117.07012	10.7
119.08573	23.8
119.09399	1.9
121.06512	4.7
121.10136	23.4
123.08047	7.9
123.11711	14.6
125.09629	10.5
129.06999	3.9
131.08543	14.0
133.06496	2.8
133.10129	21.6
135.08069	6.5
135.11685	11.0
137.09570	7.9
137.13235	6.9
139.11180	2.1
143.08592	2.4
145.06511	2.7
145.10123	15.5
147.08073	3.0
147.11674	16.1
149.09599	19.0
149.13260	7.9
151.11136	10.6
151.14803	2.5
155.08609	2.6
157.10136	3.0
159.11716	9.2
161.09627	3.2
161.13231	5.1
163.11131	9.0
163.14795	1.9
165.09119	6.7
165.12766	2.9
169.10101	2.6
171.11623	2.1
173.09599	3.6
173.13292	4.7
175.11156	2.1
177.12746	4.4
183.11678	2.4
187.11131	2.5
189.11237	5.4
191.14343	2.0
193.12230	2.0
201.12842	1.8
208.17203	1.6
215.17961	2.1
229.19460	5.9
233.19020	1.8
238.02065	1.9
239.17953	6.7
247.20612	7.9
257.18948	12.2
265.05026	4.5
275.20044	97.1
276.20456	4.3
293.17572	2.5
293.21091	30.3
293.28241	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	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03925	2.1
55.01873	11.7
55.05507	67.9
57.03424	2.5
57.07069	7.6
59.05000	2.3
67.05499	38.7
69.03420	4.0
69.07064	12.4
70.04329	4.4
71.04987	4.1
79.05485	89.5
81.03403	3.0
81.07048	29.9
83.04984	13.3
83.08611	21.6
85.06544	2.7
86.96109	1.3
91.04933	2.8
91.05472	33.3
93.07037	41.4
95.04961	11.5
95.08611	14.2
97.06494	2.0
97.10162	31.0
97.10752	3.0
99.78616	1.5
105.07016	28.3
107.04947	46.1
107.08583	67.1
109.06519	3.6
109.10145	20.0
111.04433	2.9
111.08042	3.3
117.07011	12.6
119.08572	20.0
121.06485	3.9
121.10127	19.6
123.08104	1.6
123.11717	7.0
125.06019	1.6
125.09626	36.8
129.06979	3.9
130.52199	1.4
131.08554	13.0
133.10121	20.0
133.37627	1.4
135.08018	10.7
135.11647	4.5
137.09601	1.6
143.08578	2.4
145.10089	10.3
147.11676	18.3
149.09604	100.0
149.57922	1.5
150.09978	1.7
151.11150	2.3
153.05472	2.5
153.09099	4.9
157.10098	1.5
159.11676	9.2
161.13228	6.4
163.11124	4.0
167.10614	1.8
169.10161	2.0
169.12193	4.0
171.10268	2.2
171.11734	2.1
173.11708	5.3
173.13268	5.6
177.12665	2.7
181.04965	4.5
181.12184	2.3
183.11574	1.9
187.11008	1.4
187.13264	3.6
189.11200	30.8
191.10669	5.9
197.13269	3.7
198.76904	1.7
209.11734	7.7
209.15378	1.7
215.18076	2.0
219.10081	2.2
229.19461	10.7
233.15538	1.8
237.11198	11.3
239.17896	2.6
247.20546	5.0
257.18973	24.3
262.70615	1.5
275.20035	89.5
276.20422	4.7
293.17966	2.4
293.21008	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03937	6.2
55.01875	8.7
55.05508	68.3
57.03409	4.9
57.07070	15.6
66.94078	5.2
67.05496	47.8
67.19553	5.0
69.03411	8.0
69.07071	10.1
69.68378	8.6
69.68746	7.7
79.05480	63.1
80.43867	5.4
81.03446	7.0
81.07054	45.5
83.04971	12.9
83.08613	17.9
83.43387	5.8
87.55202	4.6
91.05494	34.0
93.07040	40.8
95.04967	16.9
95.08601	21.5
97.10162	13.1
98.22727	8.0
105.07014	37.9
105.10155	5.4
107.04949	100.0
107.08589	45.9
109.06489	6.6
109.10139	20.6
111.04424	13.0
111.08071	8.4
117.07056	9.2
119.08598	29.9
121.06493	5.6
121.10127	23.8
123.08032	6.1
123.11732	6.2
125.09633	17.7
131.08533	11.8
133.10091	25.2
135.08099	8.4
135.11682	7.4
139.24280	5.7
145.10097	14.5
147.11674	18.7
149.09592	52.8
159.11684	13.2
161.13304	7.3
162.75209	5.0
163.11209	6.1
173.13293	8.2
181.04974	10.1
181.12222	5.4
187.11188	6.1
191.10643	9.3
209.11687	25.3
229.19487	9.6
233.15306	8.2
237.11345	38.4
238.88626	7.2
257.19016	11.3
275.20081	99.8
293.21228	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	294.067
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00216	0.2
69.53861	0.2
69.64755	0.2
70.06593	0.4
77.10864	0.2
98.06053	7.1
98.22723	0.8
107.41173	0.2
108.12882	0.2
119.01955	0.3
122.03826	0.3
122.04610	0.6
140.05547	3.5
144.05042	0.4
152.06786	0.5
158.06624	35.9
159.06775	1.4
162.06126	0.6
170.06619	0.6
176.07680	24.1
177.00970	1.6
177.07794	0.7
178.00940	0.3
186.06149	0.7
188.07704	2.0
200.07732	0.3
201.00951	0.3
202.04063	1.9
219.02023	2.3
224.42024	0.3
226.04102	0.8
234.05890	1.1
240.05627	1.0
242.03644	0.5
244.05176	10.4
245.03230	0.4
245.05490	0.6
246.06810	1.8
248.01782	0.5
249.12825	0.3
252.05522	0.5
253.04016	0.3
253.06369	0.3
256.05206	1.4
258.06744	5.9
259.03790	0.4
259.06799	0.5
268.05109	0.9
270.06717	16.6
271.07001	1.4
280.05194	0.5
282.06711	10.0
283.06793	0.5
285.05414	0.6
286.06204	4.4
288.07892	0.4
289.02655	0.5
294.06638	5.5
294.09744	0.3
295.06708	0.3
295.13278	0.8
300.07767	27.0
301.07877	2.3
312.07758	100.0
313.07928	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	294.2063
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.03957	0.3
55.01852	0.4
55.05499	0.6
57.07058	1.4
58.18302	0.3
58.75967	0.2
71.08619	1.3
71.43277	0.4
79.05495	1.1
81.07048	1.1
91.05447	0.5
94.04178	2.6
107.04951	0.4
122.03635	9.1
137.05968	100.0
138.06296	1.4
141.12773	1.6
158.15372	1.4
169.64624	0.3
173.78912	0.4
294.20688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	NONIVAMIDE
Peak:m/z	Relative Intensity
57.07069	0.3
61.75422	0.2
67.05486	0.7
69.07072	0.3
69.91109	0.8
71.08608	0.3
79.05482	0.8
81.07050	1.9
89.62706	0.3
91.05473	0.7
94.04177	2.2
95.04961	0.3
98.22736	0.4
104.53001	0.3
109.06495	0.9
122.03629	7.1
123.11690	1.8
132.71526	0.2
137.05963	100.0
138.06293	1.8
141.06978	0.6
155.08517	0.5
158.15344	1.8
165.06984	0.3
169.06425	1.3
170.15430	2.3
172.11757	0.3
178.07799	0.7
179.08548	0.7
183.08058	0.8
185.09625	0.6
191.08551	0.5
192.09276	0.6
193.10164	0.3
197.06033	0.3
206.07230	0.3
206.10909	0.7
207.07910	0.3
207.11551	0.4
211.07550	0.7
219.07962	0.6
220.08725	0.5
220.27927	0.3
221.13147	0.6
225.05475	0.9
225.09030	0.3
225.12697	1.1
233.09380	0.3
234.10327	0.8
235.07553	0.7
235.11113	0.7
237.08913	0.3
238.11617	0.3
249.09053	0.4
249.12720	2.0
251.06972	0.3
252.07864	0.6
252.11206	0.3
253.12392	0.3
259.10913	0.3
262.09854	1.5
265.08615	0.4
267.13803	1.2
277.08847	0.7
277.12219	3.1
280.10660	0.5
294.11951	0.7
294.20798	0.5
295.09866	0.7
295.13245	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	294.9293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75842	2.2
57.24730	2.2
70.66322	5.4
75.24191	2.5
85.21591	2.3
98.97600	2.9
104.10720	4.1
114.89342	5.3
136.94014	100.0
161.99475	3.5
268.40768	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	294.9295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58173	3.2
56.96552	17.0
67.43012	3.2
69.22886	20.9
70.06567	4.8
72.28114	3.5
84.08121	4.9
87.10024	3.8
98.97578	38.7
107.28701	3.8
116.98611	20.3
134.99643	5.8
136.94019	100.0
154.08629	5.1
192.88821	4.2
210.89954	7.0
216.98666	6.7
219.01991	9.4
228.90926	4.8
232.96341	4.7
234.99666	5.3
258.99634	4.8
270.91986	14.0
274.97443	5.7
277.00885	6.2
288.92792	11.4
295.06003	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	295.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29832	2.1
69.03428	3.8
71.22879	2.9
75.71774	2.0
76.25788	2.1
81.03410	19.2
87.83486	2.3
89.03903	2.3
107.49622	2.2
109.02837	9.6
133.02823	2.8
151.03900	32.9
157.35565	2.5
165.07001	24.0
169.04991	2.7
175.03835	5.1
193.06459	14.2
197.05914	4.8
211.07487	5.1
221.02135	32.9
221.05956	62.2
221.13223	2.7
225.05409	8.4
239.07097	13.5
249.05455	55.5
249.12672	6.7
250.05978	3.2
252.07680	4.8
253.04791	2.7
267.06488	10.9
277.04956	22.6
277.12146	8.0
278.05264	3.2
295.05890	100.0
295.13135	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	295.06
Annotation	Euplectin
Peak:m/z	Relative Intensity
54.09270	0.5
55.01870	5.2
55.41939	0.5
56.29832	0.5
57.03465	0.4
68.99786	0.7
69.29280	1.8
79.05476	1.2
87.00823	9.2
89.03901	0.6
91.05475	4.8
93.07048	3.1
95.04938	2.0
98.22697	1.1
102.20530	0.6
103.05442	4.4
105.01833	0.6
106.04143	2.8
111.04446	0.5
115.05446	1.8
117.03323	0.9
118.04121	0.9
119.04939	0.9
121.06499	6.7
125.05969	0.6
131.04921	2.4
133.00330	0.6
133.02766	0.8
134.03629	1.7
137.02399	0.9
139.05498	0.5
141.06953	2.1
145.02844	2.4
147.04376	1.2
148.05151	2.2
149.04863	0.7
149.05972	9.9
151.03830	0.7
152.06125	0.6
153.06978	1.2
153.09010	0.6
154.07697	0.6
155.08524	0.8
159.04395	0.9
163.07513	0.9
164.06146	0.7
165.06984	33.5
166.07422	0.8
167.08542	0.7
168.05685	1.2
169.06464	2.7
176.04735	1.1
177.05473	8.2
178.07785	0.6
181.06483	0.8
181.08568	6.2
183.07999	1.2
191.06989	7.4
191.08493	0.4
192.05791	1.2
193.06470	15.3
193.10196	0.5
194.07120	0.7
197.05963	5.1
203.04877	1.4
205.06474	1.4
206.11067	0.5
207.06534	0.8
209.08078	18.2
210.06761	1.2
211.07507	4.2
213.05386	0.6
221.05957	71.3
222.06371	2.4
223.07532	1.2
224.04565	1.1
225.05441	30.0
226.05823	1.0
233.06087	0.7
234.10410	1.0
235.03854	0.5
235.07578	1.2
238.06241	0.6
239.07007	12.9
240.07281	0.9
249.05450	72.1
249.12422	2.4
250.06010	5.6
251.06917	1.5
252.04201	2.9
252.07668	1.0
253.04959	18.6
254.05344	0.6
262.10010	1.6
265.04697	0.5
266.05618	1.5
266.09366	1.1
267.06494	16.4
277.04932	32.6
277.12061	3.7
278.05630	5.2
280.10971	0.7
281.04498	0.6
294.05261	1.3
295.05984	100.0
295.12970	8.1
296.06396	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	295.0599
Annotation	Euplectin
Peak:m/z	Relative Intensity
53.03930	0.6
55.01855	1.0
55.05497	1.4
57.03433	1.7
67.05493	1.8
69.03420	3.7
69.07068	2.1
71.04971	1.0
73.02909	0.5
79.05479	1.3
81.02951	0.4
81.03408	4.0
81.07038	1.6
82.04192	1.6
82.04589	0.3
83.04970	2.8
83.08575	0.8
85.02872	0.9
85.06498	0.3
88.68658	0.3
90.55466	0.3
91.05464	1.5
93.07033	1.6
94.10638	0.2
95.04955	0.8
95.08586	2.1
97.02872	0.6
97.06511	1.0
99.04456	0.5
99.08051	0.6
105.06992	0.8
107.04950	0.4
107.08569	0.7
109.02876	0.6
109.06527	0.3
109.10074	0.3
111.04405	1.1
111.08082	4.1
113.09586	0.8
115.05410	0.6
117.06973	0.5
119.08555	0.4
121.10147	0.4
123.08022	1.2
127.03934	0.4
127.07572	0.6
131.08495	0.4
135.08000	1.4
137.02310	0.7
137.05919	0.5
139.05420	0.7
139.07515	4.7
141.07028	1.6
141.09074	3.6
149.09680	0.4
151.03877	1.0
151.05090	0.3
151.07518	2.0
152.06189	0.4
153.06973	1.3
154.07765	0.3
155.08504	1.2
164.06151	0.8
165.06975	36.9
166.07335	1.3
167.08501	0.3
168.05688	1.1
169.06435	2.0
171.04422	0.4
173.09628	0.4
175.05438	0.6
176.06209	0.7
177.06931	0.8
179.04796	0.4
181.06429	0.5
182.07312	0.4
183.07988	1.8
185.06194	0.3
186.03084	0.8
187.03905	0.9
191.10631	0.7
192.05698	1.0
193.06467	17.2
194.07129	0.7
196.05226	0.4
197.05949	4.7
203.04916	1.3
205.06401	1.6
207.04478	0.4
207.10156	1.2
209.11690	2.4
210.06702	0.9
211.07489	6.1
220.05159	0.4
221.05942	58.3
222.06352	3.1
223.07549	0.7
224.04659	1.2
225.05435	20.5
226.05768	0.7
231.04449	0.8
231.25439	0.3
233.05981	1.2
238.06226	0.8
239.06999	14.4
240.07390	0.6
249.05437	43.4
250.06070	5.5
251.06770	0.4
252.04189	0.9
253.04938	10.6
259.03928	2.5
265.04993	0.5
266.05731	2.1
267.06482	17.6
268.06763	0.9
277.04922	30.4
278.05585	4.4
284.03229	0.5
294.05115	0.7
295.05972	100.0
296.06354	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	295.06
Annotation	Euplectin
Peak:m/z	Relative Intensity
55.01848	1.4
55.05492	0.6
60.13732	0.3
67.05466	0.6
68.99757	0.4
69.07040	0.9
69.63242	1.6
81.07036	0.9
83.16727	0.4
89.72726	0.4
93.07024	0.7
95.08602	1.0
103.05495	0.5
104.49277	0.4
107.08563	0.5
109.10111	0.8
115.05454	0.5
117.65570	0.4
119.08595	0.4
121.10109	0.5
123.04397	2.1
133.06465	0.4
137.02373	0.8
141.06967	1.6
149.02328	0.6
150.02644	1.3
153.06966	1.2
155.08508	1.6
164.06236	0.8
165.06990	36.3
166.07358	0.4
167.08495	0.8
168.05690	0.9
169.06464	1.7
173.02344	1.3
175.05399	1.1
176.06158	0.8
177.06941	0.8
179.04906	0.4
181.06438	0.9
183.08005	1.3
187.03854	0.7
192.05646	1.1
193.06471	24.3
194.06955	1.2
196.05121	0.5
197.05887	2.2
203.04951	2.8
203.06583	0.5
204.05591	0.4
205.06355	0.9
207.04330	0.7
210.06743	1.4
211.07544	5.1
220.05170	0.6
221.05954	70.0
222.06285	3.2
223.07611	0.6
225.05440	2.0
231.04442	0.8
233.09489	0.5
239.06996	12.0
249.05449	81.0
250.05856	4.2
251.10724	1.5
253.04791	0.6
259.03934	1.4
266.05676	1.2
267.06497	26.0
268.06888	0.9
277.04950	10.7
278.05759	1.1
281.04721	0.5
286.64813	0.4
294.04990	0.5
295.05991	100.0
296.06314	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	295.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01868	32.1
65.03941	3.0
68.99792	1.9
69.03439	1.1
69.35007	5.6
75.04485	1.4
77.03934	3.3
78.04699	3.3
79.05481	1.4
87.00822	70.1
89.03907	5.9
91.05476	35.3
93.03406	2.9
93.07031	19.9
95.04963	12.0
102.04708	2.6
103.05459	35.7
105.01848	2.0
105.03405	2.4
105.04505	5.6
105.07054	1.6
106.04166	21.4
106.04834	1.7
107.04955	3.9
115.05455	1.3
117.03353	9.0
118.04143	6.4
119.04951	7.8
120.05715	2.3
121.06495	45.3
121.47224	0.9
123.04424	1.0
125.05980	3.0
130.04138	4.2
130.96844	1.0
131.04926	14.3
131.05933	2.3
132.05490	1.5
133.02838	2.7
133.06465	1.6
134.03618	10.3
135.04417	2.7
136.05193	2.9
137.05960	2.1
137.16154	1.0
138.03101	1.1
145.02815	12.2
145.06458	0.9
146.03621	1.5
147.04388	6.1
148.05183	12.8
149.05963	61.7
151.03937	2.7
151.07538	3.1
153.05450	5.4
153.09113	2.9
159.04410	1.4
159.05545	1.7
162.03175	2.7
163.03938	1.4
163.07518	6.3
164.04704	1.9
165.07031	2.9
166.06281	3.3
167.08501	1.0
169.06416	1.1
176.04631	7.6
177.05446	45.7
179.07025	3.7
181.08589	34.1
191.07004	39.9
192.07307	1.0
193.04883	1.9
193.06496	1.6
194.05750	2.5
207.04733	1.2
207.06534	4.6
209.08069	100.0
210.08366	2.0
220.72684	1.0
221.05983	5.4
225.05458	1.4
239.07077	1.2
249.05449	3.9
267.06528	1.3
268.10599	0.9
277.04938	3.1
295.05823	9.1
295.08566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01619	2.3
55.01868	30.8
65.03945	2.8
68.99752	1.8
70.00735	2.7
75.04488	1.3
78.04690	3.6
79.05467	4.2
79.31562	1.1
85.02892	1.4
87.00820	61.0
89.03883	5.5
91.05477	28.1
93.03366	3.1
93.07031	18.3
95.04971	10.6
102.04646	1.3
103.04773	1.8
103.05457	30.6
105.01864	2.3
105.04517	2.7
105.06987	2.2
106.04176	16.2
107.04940	3.2
117.03389	7.3
118.04153	7.0
119.04911	5.0
120.05721	2.9
121.06496	44.2
123.04469	1.5
125.06025	3.1
130.04138	3.3
131.04932	13.8
131.05952	2.5
133.02850	2.1
134.03612	10.3
135.04367	2.0
137.06003	1.8
145.02797	10.9
147.04370	5.1
148.05179	10.9
149.05966	63.2
151.03897	2.8
151.07533	2.1
153.05441	2.8
153.09077	2.2
159.04379	1.6
161.06010	1.7
162.03122	1.5
163.07484	6.6
164.04669	1.3
165.06960	11.6
166.06268	2.7
173.05965	2.7
176.04726	7.1
177.05457	47.6
178.05968	1.5
178.07755	2.9
179.07004	2.9
179.08455	1.2
180.07703	1.6
181.08575	32.9
181.10095	2.6
191.07016	38.1
191.08502	1.3
192.09193	1.4
193.06430	7.6
193.10150	2.7
197.06030	2.0
205.06444	1.4
206.07144	1.3
206.10873	3.5
207.06531	5.5
209.08060	100.0
210.08470	2.4
211.07549	2.8
220.03706	1.2
220.08783	1.3
221.05957	23.3
221.09511	2.4
221.13298	1.4
222.45912	1.2
225.05437	6.8
234.10190	2.0
235.07635	2.8
235.11069	1.7
239.07036	6.0
249.05489	15.0
249.09038	3.1
249.12772	4.6
250.05963	2.4
251.06990	3.9
252.07806	2.5
253.04829	3.7
262.09818	2.2
266.05820	1.4
266.09442	1.7
267.06393	6.6
277.04950	9.6
277.12054	7.4
278.05435	1.9
280.10895	1.2
295.05960	36.4
295.09409	4.0
295.13098	17.9
296.06262	2.6
304.11227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0962
Annotation	Glyzarin
Peak:m/z	Relative Intensity
50.74124	1.1
53.03937	2.0
55.05473	1.1
67.05502	2.4
69.03416	4.1
69.07063	1.4
70.67192	1.2
77.58737	1.0
78.83594	1.5
79.05480	1.6
81.07055	2.6
91.05463	1.4
93.07033	1.9
97.02888	17.1
107.08599	1.5
115.03902	1.5
125.02351	8.5
141.06941	6.5
143.03383	20.4
143.08540	1.4
153.06981	4.8
155.08513	9.0
165.06987	22.7
166.07755	7.9
167.08546	4.2
169.06473	12.3
171.08064	2.6
178.07756	68.9
179.08534	14.1
180.09291	13.9
181.06374	1.2
181.10043	5.8
183.08047	1.6
185.09593	2.8
189.06915	6.9
190.07758	17.1
191.08516	5.6
192.09332	7.7
193.10109	53.8
194.10477	3.1
195.08102	2.5
195.11665	23.6
197.05923	8.4
197.09456	1.0
202.07661	2.6
203.08502	4.6
204.09480	1.1
205.10103	52.2
206.07251	8.5
206.10612	6.5
207.08047	7.4
207.11644	1.8
208.08772	7.4
209.09598	18.5
218.07236	5.6
219.07959	4.0
220.08746	1.6
221.06203	1.9
221.09587	51.0
221.13196	3.7
222.09897	3.1
223.07559	2.9
223.11148	13.2
225.05472	2.4
225.09076	5.4
225.12683	3.0
231.08157	1.2
233.09583	40.9
234.06790	2.7
234.10231	7.1
235.07494	15.1
235.11143	2.7
239.06920	2.3
239.10632	5.0
247.07576	1.6
248.08176	1.2
249.09087	81.3
249.12703	9.7
250.09413	2.9
251.07030	3.5
251.10693	13.2
252.07813	6.7
253.08655	8.6
253.11122	1.6
253.12045	1.6
262.09790	8.2
263.06921	2.5
265.08487	1.3
266.09497	3.5
267.07043	2.0
267.10162	12.9
267.13223	1.4
267.13818	1.2
268.07224	1.9
277.08557	27.0
277.12177	17.2
278.09149	1.6
278.12582	1.3
280.10876	4.0
281.08047	2.7
293.18729	1.2
295.09610	100.0
295.13232	59.5
295.16650	3.1
296.10095	8.1
296.13654	3.3
296.25510	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	295.0964
Annotation	7-Acetoxy-2-methylisoflavone
Peak:m/z	Relative Intensity
51.91483	0.2
57.25278	0.2
63.11933	0.2
64.40723	0.2
69.99544	0.5
74.20918	0.3
82.38671	0.2
123.04494	0.3
141.07062	0.4
153.06943	1.4
154.07739	0.3
155.08461	0.5
160.75803	0.3
165.06952	1.1
167.08559	1.7
168.05659	0.3
168.09410	0.2
169.06416	0.4
169.10124	0.4
173.02341	0.2
178.07774	3.0
179.08531	1.9
181.06474	1.9
182.07176	0.5
183.07944	0.4
191.54114	0.2
193.06444	0.3
193.10123	0.8
195.08054	2.4
196.08838	1.3
197.09575	0.9
202.07813	0.3
203.08556	0.3
205.06541	0.6
206.07288	1.6
207.08012	1.9
209.05911	1.9
210.06845	0.4
211.07520	0.6
219.08084	0.3
221.05968	0.6
221.09598	1.5
223.07555	2.1
224.08279	1.4
225.05502	0.4
225.09116	1.2
234.06783	1.2
235.07512	2.1
237.05450	4.5
238.06247	1.1
239.06903	0.4
239.10582	0.2
249.05447	0.3
249.09085	2.3
251.06973	4.2
251.10825	0.3
252.07793	100.0
253.08386	9.0
254.08859	0.3
265.04987	0.5
267.06525	0.9
267.10114	4.2
273.92413	0.3
277.05551	0.4
277.08578	1.8
277.11990	0.3
280.07278	0.5
295.06067	1.3
295.09601	16.6
296.09869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65678	0.5
53.35027	0.4
55.01874	1.2
55.05513	1.1
68.49896	0.4
69.03421	0.7
69.07059	2.7
70.10860	1.1
79.51170	0.5
81.07051	0.5
81.62318	0.5
83.04976	2.9
83.88681	0.5
91.05477	0.5
93.07022	0.5
97.06553	1.2
115.05463	2.2
128.06258	0.7
141.06967	7.4
141.08023	0.6
143.08597	0.7
151.05360	0.4
152.06129	1.0
153.06982	1.4
154.07764	0.9
155.04912	0.5
155.08536	3.6
157.06517	1.0
159.08089	1.2
165.06981	4.9
166.07727	0.8
167.08484	1.2
169.06458	23.1
169.07649	1.8
169.10107	0.9
170.06801	0.5
171.07956	0.6
177.06989	0.9
178.07755	36.7
179.04861	1.5
179.08440	3.8
181.06453	1.2
181.10130	1.2
182.07269	0.7
183.08005	1.7
183.11667	1.2
189.06870	1.0
190.07663	0.5
191.08504	3.0
192.09268	2.2
193.06459	0.9
193.10107	26.8
194.10541	1.5
195.04338	0.7
195.08066	2.3
196.08740	0.8
197.05948	9.8
197.09578	5.0
198.06694	2.5
199.07401	0.5
202.07744	8.4
203.08516	10.2
204.09230	0.6
205.06401	2.9
205.10040	0.6
206.07253	13.1
206.10895	1.1
207.07970	1.5
207.11594	0.5
208.08592	0.5
209.05920	1.2
209.09608	1.9
210.06728	0.5
211.07489	4.7
211.11075	0.9
215.06952	0.7
216.09428	0.6
219.07982	2.3
220.08780	1.2
221.09586	85.6
222.06816	0.7
222.09886	3.8
223.07524	1.2
224.08275	1.0
225.05437	24.7
225.09021	1.3
225.12613	1.0
226.05769	1.2
231.08002	4.2
231.11577	0.7
234.06740	5.8
234.10361	1.1
235.07558	2.6
235.11061	0.7
237.09062	2.5
238.06169	1.7
238.09888	0.7
239.06984	3.0
239.10716	2.4
239.14282	1.5
247.07477	0.9
248.08203	1.8
249.09077	82.4
250.09456	4.1
251.10657	1.0
251.14412	0.5
252.07771	9.2
252.11472	1.1
253.08293	1.4
253.12265	1.0
262.06235	0.9
262.09854	2.5
265.08533	1.7
266.09305	0.9
267.10147	100.0
267.13635	15.2
268.10498	4.6
268.13217	0.8
277.08569	27.4
277.11746	1.6
277.21552	0.7
278.08890	1.1
280.10886	3.2
295.06079	1.4
295.09604	13.7
295.13177	71.0
296.10178	0.8
296.13507	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0964
Annotation	Glyzarin
Peak:m/z	Relative Intensity
55.01841	0.7
55.19719	0.5
70.55021	0.9
79.32343	0.5
91.82841	0.5
95.37291	0.5
128.06209	1.0
141.07030	1.1
143.08469	1.1
152.06154	1.6
153.06958	2.2
155.08481	0.6
157.06459	0.6
165.06990	7.1
167.08548	3.5
169.06427	2.2
169.10078	0.7
177.07022	2.7
178.07762	53.0
179.08493	7.6
181.06435	1.3
183.11656	0.8
189.06976	1.5
190.07726	1.3
191.08562	4.3
192.09276	3.7
192.56879	0.5
193.10117	33.7
194.10484	1.1
195.08049	1.9
197.09589	3.1
202.07779	13.5
203.08502	17.0
204.09064	1.1
205.06444	2.5
206.07253	8.4
207.08031	9.8
211.00941	0.5
219.08046	4.9
220.08777	2.9
221.09595	68.2
222.09924	3.2
223.07518	3.8
231.08005	8.8
232.08754	1.0
234.06732	4.2
235.07501	7.1
237.09071	0.6
238.06236	0.7
239.10722	1.1
240.98178	0.5
247.07480	3.2
248.08301	4.6
249.09091	100.0
250.09444	4.8
251.06996	10.3
252.07671	4.1
253.08563	10.9
259.07474	5.9
265.08557	1.3
266.09366	6.8
267.10144	24.9
268.10403	1.4
277.08575	69.1
278.08911	3.9
280.07162	1.0
295.09631	36.7
296.09940	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0963
Annotation	Glyzarin
Peak:m/z	Relative Intensity
67.05515	0.6
67.10477	0.5
69.99548	1.1
69.99910	0.9
72.16467	0.5
80.74386	0.4
91.05442	0.5
93.07030	0.5
123.04401	1.2
139.05463	0.6
141.06949	0.9
145.06369	0.7
149.13193	0.8
153.06906	0.6
155.04907	9.5
155.06084	1.2
165.06976	4.7
166.07736	0.7
167.08537	2.6
169.06470	0.8
173.02321	0.8
177.06982	0.5
178.07809	4.6
179.08522	2.1
181.10089	0.5
185.05873	1.0
189.06972	1.3
190.07800	3.8
191.08539	28.0
192.08910	1.1
193.06534	1.6
193.10100	3.1
195.08076	4.3
197.06012	0.6
201.07054	0.6
202.07729	3.3
203.08508	5.5
204.09145	0.5
205.06374	0.9
206.07205	1.0
207.07974	2.6
209.06001	3.3
209.07706	0.6
211.07634	0.6
218.07269	1.8
219.08023	26.4
220.08563	1.0
221.06015	4.4
221.09569	7.8
223.07588	3.2
225.05508	0.9
225.09074	1.0
229.07614	1.1
231.08064	6.3
234.06801	0.8
235.07529	2.1
237.05498	1.6
237.09100	2.2
239.06960	1.5
247.07495	27.5
248.07962	1.1
249.05348	2.4
249.09099	18.8
250.06366	0.8
250.09378	1.0
253.08630	1.0
258.68912	0.6
259.07513	12.2
260.07880	0.9
262.06274	0.8
263.06781	0.6
264.07819	1.6
265.08511	0.9
267.06430	1.9
267.10019	1.6
267.13058	0.4
277.05243	1.7
277.08560	41.7
278.08862	2.0
295.06055	7.6
295.09601	100.0
296.06693	0.7
296.09976	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	295.0964
Annotation	Glyzarin
Peak:m/z	Relative Intensity
55.01862	1.2
55.04557	0.7
55.39139	0.7
64.63530	0.7
67.05495	0.9
69.03410	2.6
70.16138	1.6
76.22130	0.7
79.05450	0.9
79.97658	0.7
81.07014	1.2
83.01319	1.9
93.06996	0.7
95.08568	0.8
97.02876	1.1
99.08092	0.7
107.08570	1.0
115.05468	1.5
123.55275	0.7
128.06213	1.1
129.07014	0.7
141.06956	5.9
143.08528	2.4
152.06158	1.1
153.06958	2.5
154.07732	1.0
155.08513	4.0
159.08055	1.0
165.06982	12.2
166.07780	1.0
167.08519	3.1
168.09273	1.1
169.06445	26.9
169.07640	2.6
169.10091	0.8
171.08026	7.6
177.06961	1.9
178.07756	100.0
179.08482	14.0
180.09308	5.9
181.06429	2.1
181.10095	1.8
183.11716	2.0
189.06976	2.0
190.07680	3.7
191.08542	2.0
192.09352	4.5
193.10114	82.2
194.10428	3.7
195.08032	3.3
195.11661	4.8
196.08847	1.9
197.05916	3.5
197.09567	1.9
199.07469	0.7
202.07751	2.8
203.08513	7.6
205.06528	2.4
205.10109	2.5
206.07271	10.6
206.10796	0.9
207.08038	12.3
208.08754	1.4
209.05988	1.3
209.09583	1.4
210.06830	0.9
211.11124	4.3
213.05453	2.4
218.07179	1.0
219.08044	1.4
221.09592	75.2
222.09889	3.9
223.07555	2.0
223.11162	1.9
224.08282	3.9
225.08986	4.3
231.08003	7.5
233.09659	1.2
234.06737	9.0
235.07561	5.7
239.10643	16.2
248.08255	2.9
249.09085	99.9
250.09413	4.9
251.07021	6.8
251.10661	7.2
252.07695	1.0
253.08594	13.9
254.09019	0.8
262.09882	1.5
267.10156	28.6
268.10440	1.2
277.08578	52.2
277.11710	1.9
278.08896	2.7
280.07291	1.6
281.08002	1.0
295.06226	1.4
295.09607	32.0
295.13177	6.7
295.16510	1.3
296.10056	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33066	0.5
56.24127	0.6
57.98163	0.6
59.60495	0.5
62.83813	0.5
69.07058	1.3
70.10757	1.4
80.31955	0.6
92.53460	0.6
103.49664	0.7
115.05401	0.6
134.68546	0.6
141.06998	3.1
142.22435	0.6
155.04947	1.1
155.08545	1.1
165.06978	3.3
167.08629	1.0
169.06456	7.3
169.07715	1.0
177.25803	0.6
178.07779	4.5
179.08524	1.5
189.06967	3.7
190.06026	0.9
190.07748	13.5
191.08542	49.5
192.08896	2.4
193.10127	2.6
195.08072	0.9
197.06006	2.7
201.06941	0.8
202.07755	3.1
203.08556	4.3
205.06303	0.7
206.07304	0.9
206.10889	1.1
207.11334	0.6
209.09491	0.6
211.07578	1.4
218.07289	2.6
219.08032	60.7
220.08502	3.1
221.09656	3.8
223.07669	0.7
225.05446	7.1
229.07576	1.1
230.90146	0.7
231.07996	1.5
237.08263	1.1
239.07007	1.1
239.14236	1.0
247.07524	100.0
248.07857	4.5
249.09138	7.6
249.12772	1.6
259.07471	2.3
262.09802	1.6
265.08563	4.8
267.13702	6.3
277.08597	20.8
277.11853	1.4
280.10837	1.0
295.09338	3.6
295.13235	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	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	3.9
55.01852	2.4
55.05490	2.0
57.03428	7.8
61.02910	1.8
65.03912	2.5
67.05495	2.2
69.03426	43.1
69.37080	3.1
69.37479	4.2
71.01314	2.2
71.04986	1.6
73.02875	2.8
79.05453	2.7
81.02981	2.3
81.03410	30.8
81.06989	2.5
85.02902	21.2
85.84473	1.4
87.04465	17.6
91.05434	3.6
93.06971	1.7
95.04910	2.3
97.02886	23.0
99.04448	6.2
103.03880	4.0
105.06982	2.4
106.41725	1.3
109.02879	10.3
111.04379	3.6
115.03252	1.3
115.03918	16.2
115.65780	1.3
123.04357	3.2
125.05947	1.6
127.03889	7.0
131.08510	1.4
133.02797	3.5
133.04971	14.6
137.02258	2.2
137.05919	2.1
141.05362	2.0
145.04944	12.6
147.04366	3.4
151.03902	37.5
151.04990	5.3
152.86737	1.3
153.08992	2.8
155.08459	1.6
161.04501	1.7
161.09512	1.2
165.05676	1.8
165.06982	27.7
169.04909	3.4
169.06412	2.6
175.03902	12.1
177.05406	1.6
177.06891	3.2
178.04874	2.2
179.08333	1.7
181.06335	1.6
185.09482	4.0
193.06479	13.7
195.07901	1.7
197.05852	4.0
205.06395	3.1
206.10780	4.4
207.08061	2.1
211.07402	3.5
213.08968	3.0
221.05962	57.7
221.13045	1.8
222.06325	3.2
225.05437	7.2
231.09979	1.8
234.06766	1.7
234.10254	2.9
235.07526	2.8
235.10738	1.5
239.07033	10.3
249.05458	81.1
249.12654	11.6
250.05807	4.5
251.06865	4.5
252.07574	4.5
252.11534	1.5
253.04884	3.5
262.09760	4.3
266.09174	3.8
267.06509	13.3
277.04962	22.8
277.08081	2.2
277.09155	1.8
277.12399	11.1
278.05365	1.5
280.10767	2.5
295.05780	100.0
295.13168	37.7
296.06125	5.6
296.11145	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1326
Annotation	12-Demethylmultiorthoquinone
Peak:m/z	Relative Intensity
50.34917	0.5
54.01395	0.4
57.75762	0.5
59.62858	0.4
60.45395	0.4
67.05515	0.5
69.20607	0.5
70.27148	0.4
70.94743	0.5
72.42500	0.5
75.70562	0.5
81.07036	0.4
82.95913	0.4
90.05890	0.4
97.56919	0.4
134.83838	0.4
141.30313	0.5
142.54643	0.5
162.15279	0.4
165.07010	0.9
178.07748	3.1
179.08524	3.3
181.06509	1.0
181.10065	0.7
183.08052	0.7
190.07639	0.5
191.08554	5.1
192.09309	2.4
192.66042	0.5
193.10080	2.1
195.08015	1.4
196.08838	1.0
197.09615	0.4
203.08511	0.9
205.10085	2.3
206.07297	3.3
206.10864	14.6
207.08043	6.9
207.11606	1.1
209.06122	0.5
209.09599	0.5
211.07483	0.6
215.08536	0.6
216.09265	2.4
219.07986	5.2
220.08762	5.0
221.09566	1.2
221.13251	6.8
223.07536	1.2
224.08353	1.0
225.12700	1.2
227.07051	0.8
231.11626	2.1
233.09557	1.5
234.00186	0.5
234.06834	2.8
234.10355	15.3
235.07513	11.4
235.10938	1.1
236.07997	0.6
237.09116	1.0
238.06209	0.8
247.07504	1.3
248.08304	5.3
249.08914	1.9
249.12717	33.5
250.13055	1.2
251.07022	2.8
252.07770	18.4
253.08475	4.4
259.11160	1.9
261.09149	1.4
262.09872	17.3
263.10367	1.0
265.08560	6.5
266.09320	11.3
266.12204	0.7
267.09924	0.8
267.13632	0.8
277.12201	47.5
278.12604	2.6
280.10895	9.7
295.13251	100.0
296.13580	5.5
313.61377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1329
Annotation	Eupomatenoid 5
Peak:m/z	Relative Intensity
50.74524	0.3
55.05507	0.4
58.36655	0.3
69.75858	0.7
69.76247	0.6
71.64482	0.3
74.01938	0.3
81.07044	0.5
82.06645	0.3
94.91076	0.2
98.22777	0.4
100.38899	0.2
109.02824	0.5
126.51172	0.3
128.06213	0.4
129.07002	0.6
131.25276	0.3
136.55760	0.3
141.07010	0.7
142.07742	0.9
143.04881	0.8
153.07005	0.4
154.41191	0.2
155.08533	1.4
157.10109	1.0
165.06935	0.7
166.52634	0.3
167.08673	0.5
169.06483	1.1
169.10118	0.7
171.07990	0.3
171.11662	0.7
178.07751	1.2
179.08539	1.6
181.10065	0.6
183.08035	4.7
185.09576	6.5
186.10106	0.4
190.07826	0.3
191.08533	1.6
192.09322	1.1
193.10083	1.5
195.08038	1.2
196.08733	0.3
197.06007	1.2
197.09673	0.6
199.07445	0.3
202.07709	0.4
203.08554	0.4
205.06432	0.5
205.10162	0.6
206.07269	0.8
206.10893	3.9
207.08063	2.6
207.11534	1.4
208.08766	0.4
209.09543	1.3
210.06842	0.4
210.10406	0.5
211.07532	3.4
211.14835	0.5
216.09348	1.0
219.08058	3.0
220.08830	1.9
221.09589	1.0
221.13179	1.8
222.06787	0.6
223.07513	1.7
224.08302	1.1
225.05508	0.5
225.09286	2.1
225.12701	9.1
231.11717	1.3
233.09578	0.9
234.06786	0.5
234.10365	4.8
235.07582	3.2
235.11148	1.8
236.08266	0.4
237.09087	2.2
238.06094	0.3
238.09831	0.7
239.06949	0.8
239.10509	1.4
239.14316	0.4
244.08904	0.4
247.07494	3.1
248.08174	0.9
249.08978	1.3
249.12723	10.7
250.12988	0.6
251.06955	0.8
252.07773	1.7
252.11485	0.7
253.08473	0.7
253.12190	0.7
259.11139	0.6
261.09149	1.0
262.09851	6.8
263.10297	0.5
265.08524	2.7
266.09286	1.1
267.10443	1.6
267.13687	2.5
277.08926	0.6
277.12192	11.6
278.12479	0.5
280.10913	12.7
281.10950	0.4
295.13248	100.0
296.13589	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	295.1329
Annotation	4-Methoxymagnaldehyde B
Peak:m/z	Relative Intensity
51.13035	0.4
51.88543	0.5
53.59259	0.5
55.05503	1.3
57.07064	0.6
66.98804	0.5
67.43686	0.5
69.62257	0.5
69.83864	1.5
81.13307	0.5
95.08611	1.0
109.10198	0.7
129.07011	1.0
141.07018	0.6
143.05002	0.6
143.08543	0.6
152.06317	0.5
153.06943	0.6
155.08563	2.1
165.07002	2.5
166.07767	0.6
167.08577	1.7
168.09204	0.9
169.06451	1.3
169.10147	1.8
171.11618	1.0
175.11121	0.6
178.07726	2.9
179.08496	3.4
181.03436	0.5
181.06505	0.8
181.10088	2.3
183.08051	4.5
185.09581	4.9
191.08441	3.0
192.09331	2.2
193.06387	0.8
193.10117	3.3
195.07887	3.4
195.11679	1.6
196.08736	1.1
197.06042	0.9
197.09674	1.1
198.06787	0.5
202.07660	0.7
203.08548	1.3
203.46931	0.6
204.09366	1.0
205.06595	0.7
205.10078	2.7
206.07321	1.1
206.10918	5.3
207.08052	5.0
207.11731	2.9
209.09596	4.0
209.13307	1.4
210.06694	1.0
210.10170	1.1
211.07591	3.5
211.11053	1.4
211.14775	0.7
212.08301	1.0
212.11874	1.1
216.09392	1.8
219.08023	5.0
219.11531	2.5
220.08827	3.7
220.12418	0.8
221.06015	0.9
221.09595	7.1
221.13048	3.5
222.10316	1.5
223.07591	1.4
223.11206	2.9
224.08342	1.6
224.11951	5.7
225.05408	1.5
225.09201	3.4
225.12700	8.7
227.10641	4.3
231.11678	1.1
233.09618	1.8
234.06764	0.7
234.10349	6.8
235.07545	5.4
235.11113	9.4
235.14754	1.4
236.11896	1.3
237.09053	2.4
237.12695	3.9
238.09740	0.8
239.06990	0.8
239.10617	4.4
240.11482	0.6
244.08633	0.6
247.07494	2.3
247.11130	3.6
248.08366	1.6
248.11937	1.3
249.09019	1.9
249.12714	19.4
250.12994	0.9
251.06990	1.1
251.10695	0.9
251.14185	2.7
252.07820	3.8
252.11462	2.0
253.08485	1.2
253.12224	3.7
259.11258	1.3
261.09045	0.6
261.12756	2.3
262.09882	10.4
262.13525	5.1
265.08667	2.4
266.09399	3.0
267.10104	2.2
267.13763	3.5
277.09167	0.8
277.12238	20.2
277.15860	20.9
278.12662	1.1
278.16193	1.4
280.10962	8.4
295.13269	100.0
295.16852	28.9
296.13635	4.4
296.17267	1.8
303.93640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1328
Annotation	12-Demethylmultiorthoquinone
Peak:m/z	Relative Intensity
53.50545	0.3
69.22121	0.4
69.75400	0.8
69.75792	0.8
73.30742	0.4
88.38803	0.5
92.76170	0.3
96.96866	0.4
98.23447	0.4
120.23643	0.3
129.07019	0.4
135.85063	0.3
141.07010	0.9
142.07776	1.1
143.04941	0.8
143.08572	0.6
153.06972	0.9
155.08568	1.6
157.10103	0.7
165.07028	1.2
167.08534	1.0
168.09334	0.6
169.06476	0.4
169.10120	0.6
170.07147	0.6
171.11661	1.4
178.07724	1.3
179.08542	2.8
181.06490	0.6
181.10043	0.7
182.07228	0.6
182.10890	0.4
183.08028	5.6
185.09572	7.1
191.08507	3.3
192.09363	2.2
193.10097	1.4
195.08015	2.2
196.08792	1.6
197.05923	0.7
197.09554	0.8
203.08438	0.6
205.06367	0.8
205.10120	1.0
206.07263	1.7
206.10899	6.6
207.08058	3.2
207.11575	2.2
209.06021	0.8
209.09637	1.5
210.10362	1.2
211.07510	4.6
211.14806	0.4
215.08580	0.6
216.09328	1.8
219.08038	4.4
220.08797	2.4
221.09601	1.3
221.13249	4.1
222.06827	0.5
223.07587	1.8
224.08304	2.3
224.11902	0.7
225.09360	1.8
225.12724	11.4
231.11655	2.2
233.09607	1.1
234.06676	0.7
234.10367	6.9
235.07513	5.3
235.11086	1.9
236.08203	0.5
237.05457	0.8
237.09224	2.7
238.09853	1.7
239.06979	1.5
239.10669	0.6
239.14194	0.6
239.48796	0.4
244.08698	0.9
247.07545	2.3
248.08324	1.3
249.08963	0.9
249.12721	19.4
250.13022	0.4
251.07018	1.0
252.07744	5.4
252.11349	0.9
253.08568	1.3
253.12224	1.1
259.11111	1.8
261.09055	1.3
262.09879	11.0
263.10327	0.6
265.08682	2.2
266.09372	2.4
267.10779	0.7
267.13776	3.9
277.12210	24.5
278.12634	1.2
280.10928	6.0
295.13266	100.0
296.13602	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	295.1328
Annotation	12-Demethylmultiorthoquinone
Peak:m/z	Relative Intensity
51.30561	0.4
53.54484	0.4
62.71313	0.5
71.19994	0.5
71.20336	0.5
88.04220	0.4
143.04935	0.5
154.05975	0.5
155.08507	0.8
156.09369	0.5
165.06949	0.7
171.11646	0.6
177.64134	0.5
178.07750	2.2
179.08490	3.0
182.07190	0.6
183.08002	1.8
185.09598	0.9
191.08452	3.5
192.09213	2.2
193.10115	1.5
195.07997	1.4
196.08809	1.0
202.07787	0.7
203.08475	0.6
205.10164	1.3
206.07239	3.3
206.10854	7.0
207.08020	4.9
207.11542	1.3
209.09572	0.8
210.10406	0.6
215.08426	0.5
216.09312	1.7
219.08051	4.4
220.08835	4.2
221.09613	1.7
221.13220	6.0
223.07498	0.9
224.08310	0.7
225.09116	0.6
225.12683	5.5
227.06931	0.6
231.11650	1.7
233.09602	1.6
234.06787	2.4
234.10361	9.7
235.07497	8.7
235.11226	1.4
237.09056	1.2
244.08791	0.6
247.07585	1.6
248.08260	3.3
249.08925	1.4
249.12720	28.0
250.13086	1.2
251.07068	3.1
252.07799	14.9
252.11501	0.8
253.08466	4.0
258.32950	0.5
259.11102	0.6
261.09106	1.3
262.03442	0.5
262.07086	0.8
262.09842	14.1
265.08600	5.0
266.09329	11.3
267.10156	0.5
267.13635	0.6
269.86298	0.5
277.12192	40.2
278.12622	2.0
280.10934	9.8
295.13248	100.0
296.13596	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1328
Annotation	12-Demethylmultiorthoquinone
Peak:m/z	Relative Intensity
55.01869	0.8
55.05498	1.0
69.07064	5.9
76.51893	0.6
79.05464	0.8
83.01330	1.2
83.04982	4.5
91.05525	0.5
97.06506	1.8
102.68832	0.5
114.72136	0.5
115.05423	3.4
141.06967	15.9
145.06555	0.6
152.06154	1.1
153.06967	1.9
155.04901	2.1
155.08554	6.0
157.06461	0.8
159.08038	2.6
165.07010	5.3
166.07704	1.4
167.08527	2.2
169.06458	47.4
169.07616	3.2
170.06786	1.1
171.08035	1.6
177.07048	0.7
178.07762	18.1
179.04964	3.5
179.08543	6.1
180.09206	1.0
181.06485	1.3
181.10034	1.7
182.07199	0.9
183.08014	2.8
189.06982	0.7
190.07764	1.2
191.08571	3.2
192.09280	2.0
193.06467	0.9
193.10121	14.0
194.10420	0.7
195.04358	1.0
195.08008	3.8
195.11661	1.5
197.05963	15.5
197.09662	2.5
198.06731	3.8
199.07535	1.2
199.11124	0.9
201.05368	0.6
202.07710	1.4
203.08571	2.0
205.10104	1.7
206.07262	2.8
206.10887	3.6
207.08003	3.6
207.11646	0.7
208.08789	0.9
209.06049	0.5
209.09583	1.5
210.06776	1.2
211.07483	6.1
213.05402	1.1
215.06943	1.2
216.09322	1.0
219.08060	2.9
220.08678	1.0
221.05908	1.6
221.09618	13.1
221.13197	1.8
222.06607	0.6
223.07494	2.2
223.11151	1.2
224.04602	0.8
224.08286	2.0
225.05450	37.9
225.08810	4.7
225.12564	1.0
226.05786	1.8
231.08011	0.6
231.11626	1.1
233.09552	1.7
234.06648	2.2
234.10339	2.4
235.07559	2.8
237.09093	3.7
238.09715	1.2
239.07040	3.6
239.10663	4.3
239.14209	4.2
247.07503	2.4
248.08195	1.4
249.09033	21.1
249.12672	5.6
250.06696	0.5
250.09415	1.5
251.07016	8.1
251.10614	5.5
252.07628	2.5
252.11353	1.7
253.08533	10.8
253.12207	1.8
262.09869	6.3
265.08554	2.6
266.09351	2.0
267.10092	9.4
267.13730	27.9
268.10553	0.5
268.13992	0.9
277.08517	10.4
277.12131	6.9
280.10934	2.1
290.77792	0.6
295.06079	1.9
295.09647	16.2
295.13205	100.0
296.10254	1.0
296.13531	4.5
297.47400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1329
Annotation	4-Methoxymagnaldehyde B
Peak:m/z	Relative Intensity
52.40357	0.5
55.01900	0.6
56.95455	0.5
62.23523	0.6
69.07069	5.1
69.95369	1.6
83.04975	4.3
97.06557	2.1
115.05485	2.5
122.25656	0.6
141.06979	11.2
141.08020	0.8
152.06255	1.0
153.06982	0.7
155.04958	1.5
155.08530	4.7
159.08096	1.7
165.06992	4.6
166.07684	0.5
167.08617	1.7
169.06456	34.3
170.06874	1.1
178.07761	7.6
179.04935	2.9
179.08537	4.0
181.10114	1.2
183.08070	2.0
189.06937	4.5
190.07745	14.0
190.09387	1.0
191.08539	53.7
192.09045	2.5
193.06458	0.9
193.10168	4.6
195.08113	1.3
196.68214	0.6
197.05954	14.0
198.06750	4.0
199.07483	0.5
201.06958	1.2
202.07669	3.1
203.08574	3.4
205.06485	1.2
206.07339	1.1
206.10881	2.7
207.07977	1.0
207.11685	0.8
209.09567	1.8
211.07520	5.0
216.09294	0.9
218.07333	1.5
219.08028	67.5
220.08467	3.8
221.09637	6.2
221.13229	1.7
223.07541	1.1
223.50175	0.6
224.08209	0.8
224.11945	0.8
225.05434	32.4
225.09024	1.3
225.12660	1.3
226.05841	1.2
229.07643	1.3
231.08038	1.2
231.11615	1.1
233.09520	1.0
234.06752	1.4
234.10326	2.2
235.07520	1.8
237.09088	2.8
239.07037	4.0
239.10568	0.6
239.14282	3.5
247.07524	100.0
248.07993	5.3
249.09102	15.8
249.12717	4.5
250.09544	1.0
251.10704	3.1
252.07870	1.3
252.11302	1.8
253.08501	1.6
253.12209	1.6
259.07541	2.2
262.09808	4.1
264.07779	0.8
265.08615	6.1
266.09119	0.9
267.10162	2.5
267.13763	23.7
268.14227	0.9
277.08524	19.6
277.12091	4.9
280.10898	1.3
295.09601	11.9
295.13211	85.1
296.13525	3.3
308.36758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1327
Annotation	3-Isopentadienyl-3',4,5'-trihydroxystilbene
Peak:m/z	Relative Intensity
51.25231	0.3
52.36858	0.4
53.03942	0.4
55.01874	2.0
55.05502	2.1
56.05402	0.4
67.05502	3.3
69.07068	7.1
71.08612	0.7
77.03929	0.8
79.05478	1.8
81.03400	0.7
81.07054	2.2
83.04977	3.8
83.08593	1.0
89.03885	0.6
91.05454	1.4
93.07034	1.3
95.04966	0.9
95.08591	1.3
97.06527	2.5
97.10165	0.6
98.22617	0.8
99.08074	0.8
101.03879	0.7
105.03391	0.6
105.07044	1.4
107.08585	1.3
109.02782	0.4
109.10143	0.5
111.08089	0.8
115.05423	3.2
117.03336	0.5
119.08576	0.4
121.10118	0.9
123.04424	17.9
125.09592	0.6
129.03290	0.4
133.10123	0.5
135.04410	1.9
135.11650	0.4
137.02335	4.1
137.03363	0.7
141.06975	14.0
145.06445	0.5
147.11699	0.8
149.13222	0.6
151.05470	0.6
151.11134	0.8
152.06261	0.6
153.06993	1.2
154.07751	0.5
155.05000	0.8
155.08549	6.0
157.02806	0.5
157.03986	0.6
159.08038	1.6
165.06996	6.3
165.12762	0.5
167.08514	1.0
168.05693	0.7
169.06458	38.7
169.07463	2.7
170.06859	0.9
173.02339	14.6
174.02634	0.4
179.04895	3.2
179.08559	1.3
181.10109	1.0
183.08049	2.3
185.02228	0.6
187.03891	0.6
191.08595	1.9
192.09262	0.8
193.06458	2.6
193.10141	0.8
195.04318	0.4
196.05191	0.5
197.05971	14.5
197.13271	0.7
198.06728	4.1
199.07524	1.0
205.10138	0.6
206.10924	3.0
207.08047	0.7
207.11505	0.7
209.05807	0.4
209.09587	1.2
210.10553	0.6
211.07533	7.8
211.10921	0.6
215.06999	1.1
216.09331	0.6
219.08063	1.6
221.05974	4.3
221.09546	0.7
221.13252	0.9
222.06633	1.0
223.07541	1.0
224.08264	0.6
224.11908	0.5
225.05443	38.6
225.12721	1.2
226.05791	1.4
231.11549	0.5
233.09674	0.5
234.10373	1.9
235.07663	0.6
237.09064	3.4
238.09743	0.9
239.07036	6.8
239.10596	1.5
239.14255	4.1
240.07564	0.4
247.07515	1.0
249.05423	3.8
249.12712	3.1
251.10449	0.5
252.11469	1.6
253.08621	0.7
253.12228	2.6
261.09155	0.5
262.09897	4.6
265.08597	2.7
267.06485	2.7
267.13770	27.4
268.14056	0.7
277.05005	0.8
277.12134	2.9
277.21634	2.3
280.10895	1.4
293.14520	0.4
295.06119	16.3
295.13257	100.0
296.06305	1.0
296.13632	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	295.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03968	0.7
55.05500	1.2
59.05002	3.4
62.90535	0.6
69.07066	1.8
69.85181	2.1
79.05481	1.3
81.20934	0.7
91.05505	1.3
93.41514	0.6
96.27973	0.7
105.07040	4.7
127.07045	0.7
133.06467	3.3
134.07257	1.9
135.08020	6.1
151.07510	1.7
153.07021	0.8
155.08574	1.1
165.03719	3.2
165.06975	5.0
167.08528	1.9
168.05635	0.9
169.06569	1.4
169.10085	1.0
178.07709	3.7
179.05220	0.8
179.08536	7.2
180.09299	0.7
181.06401	1.7
182.07346	0.7
183.08057	4.1
183.11777	0.7
191.08508	8.7
192.09294	6.8
193.06500	5.9
193.08025	0.7
193.08586	0.9
193.10092	7.1
194.07321	1.2
194.10873	0.7
195.08063	4.3
195.11713	1.0
196.08769	1.9
196.27101	0.7
197.06017	1.5
197.09546	0.9
198.06631	0.9
202.07692	1.9
203.08539	1.7
204.09398	0.8
205.06438	2.2
205.10135	2.9
206.07249	4.6
206.10886	14.3
207.08022	11.9
207.11604	9.9
209.05954	1.5
209.09541	5.3
210.06732	2.2
210.10266	1.7
211.07489	3.1
211.10986	0.7
212.08369	0.8
215.08557	1.1
216.09308	3.0
217.10039	2.7
218.07236	1.2
219.08018	20.2
219.11403	3.4
220.08803	9.3
221.09587	8.9
221.13115	6.1
222.06668	1.6
222.10269	1.7
223.07495	2.9
223.26353	0.7
224.08237	1.7
224.11844	1.3
225.09125	4.2
225.12636	5.4
227.07091	0.9
227.10648	4.1
231.11682	2.0
232.08846	0.8
233.09549	6.3
234.06665	2.3
234.10342	18.3
234.14067	2.4
235.07556	11.8
235.11122	20.4
235.14653	1.0
236.08220	0.9
237.09132	8.3
237.12700	40.0
238.09834	2.8
238.13057	1.8
239.10648	1.1
240.11420	10.6
243.89941	0.7
244.12437	0.9
245.13170	0.7
247.07495	1.3
247.11179	4.4
248.08287	3.8
249.09018	2.0
249.12720	31.4
249.16371	3.4
250.13135	1.7
251.07007	4.4
251.10669	1.6
252.07803	15.8
252.11440	35.3
253.08548	3.0
253.12108	9.4
259.11188	1.8
261.09021	0.8
261.12784	1.1
262.09854	14.6
262.13422	3.6
263.10303	0.9
265.08633	4.0
265.12195	4.6
266.09354	10.3
267.09888	1.1
267.14111	0.8
267.17313	1.1
277.12213	44.8
277.15826	12.1
278.12601	3.3
280.10947	8.6
280.14551	14.7
281.14893	1.0
295.13242	100.0
295.16879	87.9
296.13568	7.5
296.17215	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	295.1691
Annotation	7-Methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
50.46347	0.7
53.19911	0.6
55.05497	0.9
59.04999	5.2
61.26891	0.6
69.07071	1.4
69.67171	1.0
69.67557	1.4
76.17915	0.6
91.64787	0.6
100.25623	0.6
109.31299	0.6
155.08557	0.9
165.06961	4.5
166.07802	0.8
167.08542	1.1
168.05696	2.0
168.07127	0.6
168.09364	0.7
169.06461	1.1
169.10059	0.8
178.07777	3.1
179.08537	3.9
180.09198	0.7
181.06448	2.0
181.10092	1.0
182.07217	1.0
182.10866	0.6
183.07985	4.3
189.06915	0.7
190.07739	0.7
191.08571	5.7
192.09346	5.1
193.06482	6.3
193.10088	5.6
194.07100	1.4
194.10901	1.2
195.08066	4.4
195.11662	1.5
196.05161	1.0
197.05971	1.8
197.09572	1.8
202.07748	2.5
203.08473	1.6
204.09354	1.4
205.06433	2.0
205.10103	2.8
206.07256	1.6
206.10909	5.1
207.08017	4.8
207.11656	9.5
208.08592	1.1
209.05881	0.8
209.09569	5.6
210.06709	2.5
210.10344	1.5
211.07567	3.8
212.08250	0.8
215.08572	1.2
217.10078	2.6
219.08041	21.3
219.11404	4.9
220.08818	6.8
220.12454	0.7
221.09599	10.1
221.13089	1.3
222.06676	1.1
222.10274	1.2
223.07501	2.3
223.10991	1.0
224.08351	1.3
224.11911	1.0
225.09196	3.9
225.12733	3.7
227.10588	5.2
231.11778	0.8
233.09641	4.7
234.10370	11.4
234.14008	2.4
235.07619	0.9
235.11147	20.9
235.14656	1.3
236.08113	0.7
236.11726	1.0
237.09195	8.5
237.12729	45.7
238.09801	1.9
238.13017	2.6
239.10493	1.9
240.11444	12.3
244.12396	0.9
247.11176	4.9
249.12724	9.7
249.16357	4.4
250.09982	0.7
251.10686	2.0
251.14337	0.8
252.11430	38.3
253.12172	11.1
259.14771	1.1
261.12701	1.0
262.09698	0.6
262.13464	3.0
265.12241	5.2
267.10071	1.0
267.17264	0.7
277.12198	5.6
277.15805	13.4
280.11279	1.0
280.14548	17.5
281.14905	1.2
295.13263	14.5
295.16852	100.0
296.13751	1.4
296.17169	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	295.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
55.05514	1.7
57.07049	0.7
59.04997	2.5
60.66121	0.7
67.05493	1.6
69.03419	1.2
69.07064	2.3
69.69628	2.6
71.08623	1.6
79.05499	1.3
81.07059	2.2
83.04987	1.2
91.05490	1.2
93.07059	1.0
95.04996	1.0
95.08601	1.6
99.08116	1.3
105.06979	0.8
128.06200	1.0
141.06958	0.8
143.04903	1.1
153.06929	1.0
155.08572	1.8
165.07010	6.8
166.07729	1.3
167.08563	2.4
169.06497	2.1
169.10162	1.4
170.07191	0.7
178.07782	7.1
179.08554	7.1
179.14330	1.2
180.09282	1.4
180.14659	1.5
181.06538	1.8
181.10110	1.4
183.08044	7.0
185.06033	1.0
185.09634	1.2
189.06960	1.1
190.07738	1.1
191.08543	6.3
192.09290	8.1
193.06491	4.3
193.10114	12.2
194.07245	2.0
194.10730	0.8
195.07990	7.0
195.11667	2.3
197.05923	4.7
197.09583	4.1
198.06760	1.2
198.10471	1.0
202.07700	4.1
203.08521	5.4
204.09270	1.3
205.06496	2.5
205.10188	2.9
206.07291	2.5
206.10854	5.9
207.08072	7.7
207.11671	10.2
208.08885	3.2
209.06023	0.9
209.09718	4.1
210.06773	4.9
210.10260	1.6
211.07541	5.9
211.11169	2.1
212.08095	1.1
213.12848	0.8
215.08614	0.9
216.09323	1.9
217.10130	3.2
219.08028	28.3
219.11339	4.6
220.08803	11.9
220.12399	1.1
221.06215	3.4
221.09578	19.2
221.12970	3.8
222.10185	1.7
223.07523	2.6
223.11147	1.1
224.08249	1.8
224.12070	0.9
225.09109	15.1
225.12662	4.9
226.06334	1.2
227.10637	2.2
227.14471	1.0
229.10236	1.0
231.11678	2.4
233.09566	8.1
233.13261	0.9
234.10355	21.0
234.14107	1.7
235.07722	4.7
235.11140	37.4
235.14844	1.7
236.08278	6.0
236.11568	2.1
237.09164	6.1
237.12718	25.0
238.09793	2.0
238.13075	1.2
239.06990	4.9
239.10732	2.4
240.11423	59.8
241.11757	2.6
247.07492	1.5
247.11157	4.2
248.08374	1.8
248.11765	1.0
249.09114	10.0
249.12756	16.6
249.16360	4.8
250.13045	1.2
251.06870	1.0
251.10634	0.9
251.14352	2.4
252.07698	1.2
252.11456	18.4
253.08679	1.9
253.12224	14.1
254.09381	23.2
254.13022	3.5
255.09808	1.4
259.11172	2.0
259.14767	1.0
261.09052	0.9
261.12848	3.6
262.09872	2.4
262.13449	4.4
265.08673	1.2
265.12247	2.8
266.09564	1.2
267.10162	13.4
267.13486	1.5
267.17270	1.4
268.10471	0.9
275.14398	0.8
277.09198	0.9
277.12274	16.7
277.15878	36.8
278.12756	1.0
278.16263	2.1
278.22012	0.8
280.11008	5.6
280.14584	10.4
281.14685	1.0
295.13284	100.0
295.16922	66.7
296.13641	3.1
296.17239	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	295.169
Annotation	7-Methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
51.73833	1.0
53.29527	0.9
57.07072	1.5
62.28124	0.9
67.05495	1.6
69.07086	1.1
81.07049	1.1
155.08575	1.1
165.07053	3.1
169.10042	1.1
175.11172	1.1
178.07741	2.7
179.08560	3.9
181.10103	1.7
183.08080	5.6
191.08542	3.9
192.09311	3.7
193.06535	2.4
193.10136	3.7
195.08101	4.8
196.08662	1.4
197.09634	3.3
202.07852	1.7
205.10202	1.2
206.07295	2.2
206.10963	5.1
207.08078	3.9
207.11644	8.3
209.09637	3.1
210.06824	2.0
210.10207	1.2
211.07552	2.8
217.10095	1.9
219.08058	14.7
219.11723	2.9
220.08766	5.0
221.09583	5.0
221.13074	1.3
223.07329	1.5
224.08311	1.2
225.09076	6.5
225.12738	4.7
233.09602	3.4
234.10358	10.2
234.14117	1.3
235.07532	2.7
235.11162	21.0
236.11868	2.4
237.09117	5.1
237.12709	10.0
238.09846	1.9
240.11436	26.1
247.11221	4.4
248.08186	1.2
248.12041	1.1
249.09056	1.8
249.12685	8.0
250.09764	5.7
251.10675	2.8
252.07845	4.0
252.11392	11.5
253.08391	1.3
253.12213	18.4
262.09976	4.8
262.13525	2.7
265.12177	13.2
266.09766	1.1
266.13049	3.8
267.09372	1.8
267.13806	2.8
267.17380	1.5
277.09128	2.0
277.12283	8.3
277.15887	18.0
278.13086	1.4
279.13837	1.2
280.11539	2.8
280.14554	84.3
281.14951	4.3
295.09543	3.3
295.13284	26.7
295.16937	100.0
296.17175	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	295.2266
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
53.03944	2.2
55.01866	19.8
55.05506	31.7
57.03430	3.2
57.07071	3.6
64.07104	1.5
65.03946	1.6
67.05499	62.7
69.03425	5.1
69.07059	100.0
70.48714	2.3
71.04979	7.6
79.05485	46.9
81.03418	3.8
81.07049	92.8
83.04977	11.1
83.08614	18.8
85.06519	8.5
91.05470	29.4
93.07034	48.8
95.04952	9.4
95.08596	58.9
95.09211	2.4
97.06508	18.4
97.10166	6.2
99.08075	9.2
105.04507	1.9
105.07017	30.1
107.08580	34.1
109.06511	7.3
109.10151	14.1
111.04420	1.9
111.08053	8.0
113.09627	2.9
115.07577	3.8
117.07014	5.0
119.08578	20.5
121.06471	2.5
121.10125	33.7
123.08044	9.5
123.11720	7.4
125.09619	30.1
127.07578	1.9
128.06273	1.7
129.07005	4.5
131.08571	8.0
133.10121	17.1
135.08075	2.2
135.11671	38.8
135.12642	2.8
137.09576	2.8
139.11186	2.4
142.89896	1.6
143.08566	5.0
145.10101	10.3
147.11664	23.7
149.09590	2.3
149.13252	13.0
151.11154	3.8
157.10094	1.7
159.11693	5.2
160.50578	1.6
161.13245	12.9
163.11194	6.8
163.14842	6.7
165.12737	5.5
171.11629	9.3
173.13229	4.5
175.14810	3.4
177.12723	2.9
179.14362	3.7
181.12164	2.2
185.13281	4.4
189.12782	6.2
190.71236	1.6
193.15730	1.6
195.13759	2.5
199.14816	2.3
207.13832	2.9
209.15367	2.6
221.15398	2.0
235.16972	3.2
241.19513	6.8
244.19205	1.6
249.22025	1.7
259.20587	14.5
277.21594	55.6
278.21732	2.5
295.22690	28.8
296.25558	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	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03943	28.0
55.01865	13.2
55.05510	47.2
57.07074	12.6
67.05495	68.5
69.07060	51.4
69.85300	12.5
69.85661	14.0
71.08613	18.3
74.38537	7.0
79.05482	52.7
81.03410	98.4
81.07050	58.5
83.04963	20.3
83.08624	18.5
91.05481	29.2
93.07017	53.7
95.04964	48.9
95.08577	31.8
97.10179	11.3
105.07009	39.0
107.08585	28.6
109.10163	25.9
119.08565	19.4
119.70918	6.7
121.06520	10.1
121.10147	18.8
123.11661	6.5
125.09621	14.5
133.06447	8.6
133.10118	15.2
135.11658	18.5
147.11664	13.7
149.13228	14.5
151.11171	41.6
161.13234	26.3
165.12680	8.0
171.11603	11.9
173.13290	8.7
175.14780	10.5
207.13766	8.5
241.19540	11.6
277.21609	100.0
295.13089	7.9
295.20676	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	295.2267
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.03934	4.3
55.01854	11.3
55.05500	64.6
57.03427	12.1
57.07064	14.1
58.36223	4.1
60.57088	3.9
67.05496	94.5
69.03410	5.3
69.07059	50.5
69.58430	3.7
69.83122	11.9
71.04986	7.9
71.08618	9.5
79.05482	55.2
81.03432	6.5
81.06565	6.3
81.07046	100.0
83.04970	29.8
83.08607	25.8
85.06535	8.7
91.05467	41.8
93.07032	77.1
95.04961	35.1
95.08598	61.8
97.06517	15.7
97.10178	17.6
99.08118	4.2
105.04491	4.5
105.07008	34.7
107.08584	39.3
109.06513	10.0
109.10140	30.6
111.08095	13.3
117.07021	4.1
119.08570	26.2
121.10146	22.8
123.08078	10.6
123.11697	11.9
125.09625	13.6
129.07022	5.9
131.08560	9.6
133.06497	7.5
133.10107	17.0
135.08044	4.9
135.11687	16.4
137.09624	9.7
137.13220	5.7
139.11159	31.3
139.68513	3.4
147.11688	13.3
149.09645	5.4
149.13225	10.1
151.11156	7.1
153.12764	4.8
155.10760	4.2
161.13246	17.4
165.12759	10.6
167.14247	5.3
171.11650	4.2
175.14786	9.3
179.14268	6.7
183.81258	3.5
185.13345	4.5
193.15738	4.4
243.50209	3.7
249.09093	4.4
259.20663	7.9
277.21613	69.7
295.22681	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01865	16.0
55.05266	1.5
55.05508	22.2
57.03421	2.5
57.07059	4.2
66.62730	1.2
67.05165	2.3
67.05497	32.4
69.03417	1.9
69.07063	17.3
69.23129	6.9
71.04996	2.0
71.08609	9.9
71.97919	1.1
79.05042	1.6
79.05476	18.0
79.83040	1.1
81.03407	6.7
81.07047	31.0
83.04983	10.4
83.08620	11.1
84.10883	1.3
85.06539	1.4
85.10159	2.3
85.49657	1.2
91.05485	13.2
93.07036	23.3
93.61407	1.1
95.04973	7.8
95.08597	19.6
97.06535	9.8
97.10142	6.9
98.22683	2.8
99.08076	11.2
99.80771	1.2
105.07021	13.5
107.08593	12.3
109.06501	3.2
109.10120	9.6
111.04447	1.9
111.08082	15.4
113.09615	2.4
115.05437	2.4
117.07005	4.0
119.08559	6.6
121.10111	8.6
123.04408	17.7
123.08070	4.0
123.11698	5.7
124.47493	1.3
125.09566	5.7
129.07019	2.9
131.08540	3.4
133.10129	8.1
135.04391	2.1
135.11681	7.1
137.02327	3.1
137.09604	4.0
137.13187	1.6
139.11154	3.9
141.06964	13.3
145.10072	3.1
147.08006	1.4
147.11684	9.7
149.02335	2.9
149.09604	2.8
149.13231	6.8
151.11133	9.9
153.06923	1.4
153.12723	2.1
155.08534	5.0
157.10127	2.4
159.07994	1.4
161.13263	7.2
163.11121	3.1
165.06914	6.0
165.12775	6.2
169.06442	33.0
169.10025	1.3
170.06926	1.9
171.11684	2.7
173.02292	12.8
173.13278	1.7
175.11099	1.4
175.14880	1.9
179.04922	3.3
179.08517	3.3
179.14241	4.5
181.10036	1.6
181.12204	1.4
183.07983	2.7
185.13229	3.9
189.11189	3.4
189.12772	1.8
191.08441	1.5
193.06494	3.2
193.10130	1.8
193.12271	1.5
195.07982	1.6
197.05928	16.9
198.06734	4.5
206.10905	3.6
207.13768	1.8
209.09612	1.6
211.07515	7.0
219.07974	2.8
221.05949	5.5
221.13222	1.8
221.15259	1.6
225.05443	38.4
226.05762	2.6
231.11710	1.4
231.20940	1.8
237.09091	5.1
239.06969	6.0
239.14302	3.6
241.19496	2.2
249.05469	5.1
249.09015	2.5
249.12697	4.8
249.22107	3.6
252.11470	2.3
253.12202	4.2
259.20425	4.0
262.09906	6.0
265.08575	3.8
267.06482	2.8
267.10577	2.4
267.13776	28.4
277.05066	1.9
277.12076	3.9
277.21597	31.7
278.22015	1.4
280.10840	2.2
295.06100	20.1
295.13254	100.0
295.22543	16.2
296.13696	5.5
300.31384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.51192	2.8
53.03944	27.2
55.01869	7.8
55.05508	37.8
57.03419	4.8
57.07061	16.2
67.05499	83.1
69.07059	59.2
71.04996	4.0
71.08609	7.3
79.05479	48.5
81.03409	99.3
81.07050	73.8
83.04975	21.6
83.08620	19.1
85.06518	7.4
85.10178	4.0
91.05462	27.1
93.07033	53.1
95.04961	53.8
95.08592	31.3
97.06518	7.8
97.10155	10.5
98.23463	5.9
99.08089	4.6
105.07023	31.5
107.08576	35.9
109.06496	10.2
109.10130	27.2
111.08094	5.6
117.06969	5.0
119.08561	14.3
121.10138	11.2
123.08060	8.2
123.11685	14.9
125.09586	10.0
129.07008	4.0
131.08543	4.5
133.10094	25.1
135.08037	5.5
135.11691	11.4
137.09608	3.9
143.08575	4.1
145.10170	4.1
147.08005	3.2
147.11678	18.6
149.13235	9.7
151.11166	69.1
153.09100	4.8
153.12692	4.6
161.13284	14.5
163.14764	10.8
165.12753	15.9
171.10242	3.8
171.11676	7.0
175.11205	3.9
175.14832	6.7
177.12813	3.1
177.16396	3.6
179.14343	11.0
199.14865	4.6
207.13737	9.4
209.18985	3.0
231.21094	14.3
241.19556	12.8
249.22066	8.7
259.20508	9.0
277.21606	100.0
278.21762	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	295.2269
Annotation	Colneleate
Peak:m/z	Relative Intensity
55.01865	5.2
55.05510	43.4
57.03430	16.5
57.07074	16.5
59.04997	2.8
65.03939	4.4
67.05501	77.5
69.03422	8.3
69.07069	39.2
71.04974	7.4
71.08604	4.3
76.14814	2.6
77.03923	2.9
79.05491	46.0
81.03419	9.5
81.07054	100.0
83.04980	16.5
83.08615	22.0
85.06528	4.5
90.92551	2.8
91.05474	32.1
93.07038	48.7
95.04962	19.0
95.08604	45.1
97.06517	9.7
97.10155	12.4
99.08075	6.2
105.07025	28.2
107.04926	3.5
107.08578	30.7
109.06574	6.2
109.10145	19.8
111.08054	12.5
115.58034	2.6
119.08594	15.2
121.10128	17.5
123.08082	6.5
123.11692	11.2
125.09644	9.5
129.57536	2.6
131.08577	6.6
133.10104	12.6
135.08075	3.4
135.11687	11.8
137.09644	6.1
137.13257	2.9
139.11176	9.0
143.08583	3.4
145.10204	3.4
147.11674	11.8
149.13277	7.6
153.12703	5.0
155.10667	4.5
161.13269	8.3
163.14885	3.6
165.12756	5.9
169.06508	7.9
171.11682	4.3
173.11777	3.1
175.14784	4.4
179.14334	4.0
185.13293	3.0
193.12114	3.6
196.51872	3.0
249.22054	2.9
251.10672	3.1
259.20590	3.1
277.21646	33.8
295.09601	8.5
295.22644	31.5
299.71207	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	296.066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51187	2.6
60.08136	4.7
66.87383	3.1
70.22603	6.5
71.07350	4.2
86.09696	30.0
89.50166	3.2
104.10735	100.0
104.61072	3.3
112.89596	9.5
114.81035	3.1
114.89310	8.2
163.99373	4.1
186.70844	2.9
206.04387	3.1
222.98813	8.2
236.99213	34.8
296.06525	32.5
316.90048	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	296.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
55.05519	0.5
56.05037	3.6
58.60522	0.5
65.03948	0.7
67.01871	0.5
67.05479	0.7
70.06583	1.0
70.66101	0.8
79.05479	1.3
81.03392	0.7
85.02877	0.6
91.05463	1.8
93.03376	1.9
95.01302	0.9
95.04967	0.8
96.38848	0.5
97.02828	0.6
103.05434	0.6
105.03382	3.3
105.07010	4.0
107.04926	1.0
110.06046	0.6
111.04436	0.6
115.05434	4.6
117.07003	11.8
119.04875	0.7
121.06544	0.6
123.00813	0.7
123.04432	1.3
128.06206	0.9
129.07028	1.3
131.04916	1.2
133.06482	7.5
135.08038	0.9
143.04933	2.1
145.06471	28.6
146.06810	1.0
147.04341	1.0
151.07504	0.8
155.04874	2.0
155.06047	1.2
157.06476	1.1
159.04398	1.3
161.05957	19.1
162.06342	0.7
162.09119	1.2
163.03874	2.8
163.07516	2.4
164.04698	1.3
171.04419	5.5
173.05965	36.6
174.06348	0.9
175.03871	1.1
176.04399	0.6
177.05530	1.0
179.07004	1.3
183.04375	2.7
185.06007	0.6
187.03876	1.8
189.05447	15.5
190.06088	0.9
190.08620	2.0
191.07039	10.3
192.04189	0.9
199.03889	1.3
200.07031	0.6
201.05447	48.0
202.05898	1.8
204.04140	0.8
205.06467	0.6
205.08524	0.6
206.08069	0.7
207.06517	28.1
207.08727	1.8
208.06929	1.1
208.09660	11.0
211.03842	0.8
217.04921	2.5
218.08081	2.1
219.06509	10.8
219.08604	0.8
222.06288	0.9
229.04886	7.2
231.06532	1.0
233.05904	0.8
233.08006	3.7
233.86047	0.5
236.09143	4.3
246.07619	0.9
247.06085	0.9
249.07567	6.3
250.05827	1.5
251.06731	0.8
260.09152	1.0
261.07559	4.7
264.08496	0.7
267.08615	2.7
278.10172	5.5
279.06213	1.4
279.08694	1.8
296.11252	100.0
297.11591	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	296.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.9
55.05509	5.8
57.07071	5.4
58.39702	1.6
67.05498	11.5
69.07059	8.6
70.82891	2.4
79.05497	7.3
81.07047	12.3
83.08601	9.2
93.07022	9.9
95.08591	10.8
97.10188	1.8
107.08585	9.4
109.10175	4.4
121.10173	7.9
127.11185	3.2
135.11697	7.5
137.13246	2.4
149.13232	2.7
165.06995	2.4
167.14362	3.7
178.07909	2.1
179.08452	6.4
190.07782	7.8
193.10081	4.3
194.10654	2.1
195.08163	1.9
197.09627	2.2
203.08472	2.4
203.96407	2.1
205.10127	7.9
206.07304	4.3
207.08035	5.7
208.08832	2.9
208.12280	2.0
209.09563	5.2
218.10689	2.2
221.09633	7.1
222.10228	7.0
233.09558	14.9
233.22641	7.0
235.07495	10.6
236.11726	2.0
237.08987	2.8
239.07076	4.2
243.21115	3.0
249.09007	3.2
250.09624	6.4
250.12935	2.9
251.10745	1.9
251.11882	2.0
251.14293	17.1
252.07864	5.9
253.08554	14.9
254.09322	18.1
261.09125	14.8
261.22089	4.1
264.11569	5.3
267.10129	8.6
268.10822	13.4
278.09244	4.3
278.12488	3.7
279.10547	3.0
279.13712	15.5
279.23175	6.1
281.07990	3.6
282.12512	8.1
296.10367	12.4
296.13660	8.1
296.25928	2.9
297.14822	100.0
308.34320	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
54.03454	1.9
54.04286	0.8
55.01865	4.6
55.05510	4.6
55.68027	0.7
56.05037	4.2
57.03426	3.4
57.07073	19.5
65.03927	2.6
67.05501	40.8
68.05000	1.1
69.03413	3.1
69.30255	3.8
70.02944	0.7
70.06581	1.6
71.04983	1.9
72.04517	0.8
79.05478	1.9
81.03417	9.5
81.07044	0.8
82.03741	4.5
82.06574	1.4
82.21604	0.6
83.04963	0.7
83.07352	1.7
84.08130	2.8
85.06538	85.6
86.06053	1.9
91.05473	1.4
93.03423	1.2
96.08144	0.8
97.02879	0.9
98.06039	1.7
98.09709	0.9
100.07612	15.1
103.05470	2.7
105.07004	1.0
107.04942	2.6
109.02862	3.7
110.03206	1.5
110.09668	3.0
111.04412	1.0
112.07568	1.1
116.07084	8.8
118.06515	1.0
124.07520	0.8
128.07072	2.4
131.03978	0.9
131.04926	12.4
132.04457	0.9
133.02850	1.4
134.06021	1.0
135.04367	1.6
137.02325	3.2
137.05969	9.1
141.05560	0.6
145.02780	0.8
146.06059	3.5
147.04376	2.1
150.06746	0.8
151.03905	9.3
151.05008	1.4
151.07619	1.3
152.04242	9.6
152.05360	1.5
158.39767	0.7
158.50162	0.6
160.07571	0.9
161.04716	2.8
161.06001	2.1
162.05399	0.8
162.31410	0.7
163.06227	1.5
163.07510	10.1
166.07309	2.6
167.06979	2.1
172.07590	1.3
172.09702	3.8
173.13347	0.8
176.07047	5.4
177.05499	1.1
177.07903	1.5
178.08638	6.9
179.07045	1.1
187.03922	2.3
188.10718	1.4
194.08234	6.7
205.06500	2.8
216.10210	2.5
216.27405	0.7
221.05969	2.4
221.14091	1.9
222.06300	15.7
223.07408	2.2
226.05980	0.9
230.11803	1.6
232.13345	2.1
233.05949	3.8
240.07327	1.3
247.48387	0.8
248.12732	3.5
249.05479	0.8
249.13606	15.1
250.05838	13.6
250.13980	0.8
251.07079	4.2
253.08594	0.8
260.12784	2.9
261.05524	1.0
268.06790	2.4
278.05362	4.0
278.13867	21.5
279.06461	8.8
279.14301	1.6
296.05978	17.1
296.14902	100.0
297.07520	3.6
297.15060	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	296.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74465	3.8
69.03415	6.4
71.04993	36.7
71.41331	4.4
81.03441	8.1
81.76679	4.2
85.02902	15.4
99.08080	45.7
105.07071	6.1
109.02911	4.3
114.49373	4.0
117.06979	7.9
117.09119	100.0
123.04420	4.9
126.01036	4.7
133.06461	6.7
136.06198	5.1
137.02345	9.1
145.06482	29.9
147.04388	4.7
151.08092	6.7
161.05988	16.5
163.03879	7.8
166.07393	5.0
171.04393	5.5
173.05984	31.8
177.07069	4.4
187.03949	9.2
189.05421	10.1
191.06972	10.1
194.82593	4.7
201.05469	38.4
205.06461	12.9
207.06512	25.6
207.08202	4.0
208.09702	11.7
219.06511	9.1
222.06328	8.7
222.41899	4.0
229.04962	11.9
233.05971	14.0
249.07556	4.8
250.05809	12.9
251.07008	9.9
267.08698	5.3
278.05353	9.5
278.10297	5.8
279.06604	25.0
296.06180	15.9
296.11267	91.0
296.15887	9.0
297.07526	14.9
297.11612	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55078	13.9
71.15520	20.2
86.45731	12.3
98.23288	15.4
98.97568	21.3
116.98621	16.9
129.04112	12.9
131.04979	15.3
136.06174	20.2
136.24176	11.4
137.02332	24.1
147.04375	24.5
159.04352	16.3
187.03860	36.5
189.57518	13.8
194.02690	13.3
204.09180	12.7
205.06487	26.1
218.80066	14.3
223.07483	16.5
233.05983	41.9
251.06947	49.7
279.06473	100.0
292.98480	14.4
297.07474	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.112
Annotation	Danshenxinkun A
Peak:m/z	Relative Intensity
52.25960	0.6
69.73560	1.9
69.73956	1.0
72.30631	0.6
72.56835	0.6
76.47929	0.5
86.68814	0.6
90.00945	0.5
92.33888	0.6
98.22801	0.8
104.28151	0.5
127.75658	0.5
129.89203	0.5
165.06969	1.0
169.06462	1.1
179.08548	2.1
189.06984	4.9
190.07768	26.1
191.08281	0.6
202.07716	1.2
203.08536	2.5
204.09444	1.3
205.10114	32.5
206.10405	1.6
209.09674	0.8
215.08543	2.3
218.07248	7.9
232.08601	0.8
233.09595	55.0
234.09898	2.5
243.08885	0.7
246.06667	2.0
251.10754	0.8
261.09088	100.0
262.09357	4.0
279.10129	9.3
297.11218	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1121
Annotation	Danshenxinkun A
Peak:m/z	Relative Intensity
55.95386	0.6
60.26275	0.5
60.36082	0.5
70.55377	1.0
76.95367	0.7
79.67172	0.7
80.67512	0.6
85.34017	0.6
98.97565	4.7
116.98621	2.8
134.99628	1.0
153.07005	0.8
155.08447	0.8
165.07013	1.5
166.07724	0.8
167.08578	0.6
169.06447	2.0
178.07813	1.6
179.08525	2.9
180.09404	1.4
189.07008	4.2
190.07762	25.3
191.08215	1.1
193.10100	1.3
195.07886	0.7
195.11630	1.4
197.09763	0.8
202.07697	0.8
203.08536	2.8
204.09312	1.8
205.10115	30.1
206.10393	0.8
208.08723	0.7
209.09641	1.2
215.08600	2.3
218.07277	7.2
221.09660	1.5
223.11156	1.4
227.07011	1.0
233.09596	55.5
234.09958	2.3
237.08957	1.4
246.06779	1.7
249.09105	2.4
251.10692	3.2
254.09169	0.9
261.09094	100.0
262.09399	4.8
269.11624	1.0
274.97513	4.0
279.10168	16.3
279.13361	1.4
292.98520	2.2
297.11145	9.6
297.14832	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	297.1119
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
54.47620	1.1
55.61024	0.9
56.96571	1.9
59.04990	3.9
67.05475	1.8
69.03432	2.2
75.00128	1.0
77.58871	1.0
79.19625	1.2
80.94820	1.6
98.97580	12.0
107.01896	1.1
108.80595	1.1
115.05431	2.9
116.98621	10.9
129.06950	1.2
134.99641	5.1
140.00325	1.3
141.06996	14.2
142.07805	1.1
143.08592	1.3
152.06189	3.0
153.06995	2.5
155.08511	7.7
156.25764	1.3
165.06993	14.2
166.07727	3.8
167.08563	14.7
169.06473	9.8
171.11639	1.5
178.07806	3.1
179.08548	23.3
180.09329	11.3
181.10132	7.6
189.06958	5.7
190.07745	17.6
191.08488	7.9
192.09325	40.3
193.10074	5.3
194.10904	11.7
195.08040	13.0
195.11607	4.7
197.05960	83.1
198.06358	2.6
202.07730	14.9
203.08482	4.6
204.09279	2.1
205.10109	87.6
206.07388	1.3
206.10542	3.2
207.08022	2.3
207.11664	20.2
208.08638	1.6
208.12268	1.9
209.06047	1.4
209.09575	3.2
209.13237	19.3
213.09091	1.7
215.08528	4.5
217.10062	8.5
218.07220	16.5
218.10582	2.0
219.07918	4.2
220.08820	14.8
221.09584	2.8
222.10257	1.5
223.11205	9.0
223.14781	2.6
233.09596	100.0
234.09938	5.5
235.11150	74.0
236.08267	1.5
236.11485	5.2
237.09010	2.5
243.09106	1.7
249.09044	1.4
251.10649	76.8
252.11008	3.4
253.12244	1.9
254.09276	1.9
256.96524	1.4
261.09149	8.1
264.11411	3.9
269.11740	1.6
274.97446	12.9
279.10132	32.6
279.13748	13.5
280.10419	2.2
292.98553	9.5
296.25580	36.2
297.11176	39.1
297.14789	16.5
297.18344	3.0
297.25897	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	297.112
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
55.05503	0.8
65.15272	0.6
69.07043	1.2
70.95882	0.6
81.07043	1.6
85.03354	0.6
86.09692	0.7
93.07013	0.9
95.08559	0.9
98.18288	0.6
98.97554	3.3
109.10196	0.7
116.98618	1.9
123.04444	0.7
129.07054	0.8
134.31264	0.6
134.99620	1.5
141.06969	1.9
143.04924	0.5
152.06230	0.9
153.06985	2.0
155.08545	2.5
157.06496	2.6
157.17557	0.6
165.06981	8.2
166.07716	2.8
167.08560	2.8
169.06499	4.3
178.07748	1.6
179.08521	4.7
180.09312	6.8
181.06458	2.3
181.10081	3.8
183.08022	1.2
185.05959	0.8
189.06999	0.9
190.07765	6.1
191.08495	2.4
192.09296	0.8
193.10010	0.8
194.07246	1.2
194.10915	0.7
195.08032	3.2
195.11679	7.1
197.05942	2.3
203.08548	1.5
205.06487	1.1
205.10101	8.8
207.07991	4.0
208.08762	5.8
209.06046	1.2
209.09615	10.4
209.13278	0.6
210.06668	1.8
211.07547	1.8
215.08565	1.8
218.07214	1.6
219.07973	1.1
221.05969	1.4
221.09613	1.2
222.06734	1.3
223.07516	2.6
223.11150	25.4
224.11539	1.2
225.09038	1.1
226.06233	0.8
227.06960	0.9
227.10620	0.7
228.07758	0.9
233.09581	11.1
235.07594	5.1
235.11227	1.3
236.08264	3.8
237.09093	2.9
239.10730	0.7
241.08470	0.6
241.12268	0.9
249.09045	1.0
250.09866	2.6
251.06918	2.5
251.10638	25.0
252.10899	1.1
253.08539	4.4
254.09285	2.0
255.10202	2.7
261.09070	9.5
268.10934	9.3
269.11642	7.4
274.97543	3.1
279.10126	27.0
280.10529	0.9
292.98505	2.7
297.11182	100.0
297.18353	2.1
298.11545	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	297.1118
Annotation	[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
Peak:m/z	Relative Intensity
52.05453	0.4
55.01858	0.5
56.96536	0.6
64.96732	0.4
69.03413	1.1
72.00689	0.4
82.35349	0.4
98.97573	2.7
115.05405	0.6
116.98608	1.6
121.02837	0.8
134.99643	0.8
141.06969	2.1
152.06165	0.6
153.06995	1.5
155.08580	1.0
157.06488	0.7
158.07408	0.4
159.08051	0.4
165.06996	6.2
166.07808	2.1
167.08566	2.5
168.05658	0.4
169.06465	4.6
169.07684	0.4
178.07777	1.5
179.08543	5.5
180.09337	3.7
181.06488	1.3
181.10062	2.2
182.07257	0.5
183.07976	0.5
185.05980	2.8
189.06891	2.0
190.07756	10.2
191.08543	2.3
192.09315	3.4
193.10027	0.6
193.84113	0.4
194.07242	1.7
194.10881	0.6
195.08044	5.4
195.11694	3.2
197.05963	10.3
199.07518	0.5
202.07768	1.5
203.08565	1.3
204.09317	0.6
205.06291	0.5
205.10115	13.4
207.08055	3.0
207.11662	1.2
208.08815	23.0
209.09602	4.8
209.13272	0.9
210.06773	0.8
211.07530	0.6
213.09038	0.4
215.08557	1.8
217.10172	0.8
218.07269	12.4
218.09348	0.6
219.07965	2.5
220.08835	2.0
221.05893	2.8
221.09500	0.6
222.06721	1.7
222.10356	0.6
223.05542	0.6
223.07687	5.2
223.11134	15.3
224.07890	0.6
224.11575	0.6
225.09009	0.4
232.08835	0.9
233.09602	17.5
234.10124	1.3
235.07561	2.3
235.11160	6.8
236.08302	15.7
236.10655	0.7
237.05484	1.1
237.09079	4.0
238.06255	0.6
238.09674	0.5
246.06731	0.7
249.09077	0.5
251.10655	100.0
252.10979	4.1
261.09119	5.9
264.07776	1.8
269.11734	0.6
274.97479	2.5
279.10144	66.4
279.50156	0.4
280.10477	3.0
282.08795	0.8
282.12177	0.5
292.98560	1.8
297.11191	16.8
297.14807	4.4
298.11597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.112
Annotation	Danshenxinkun A
Peak:m/z	Relative Intensity
55.05496	2.4
56.96566	1.8
60.42041	1.2
69.03417	4.9
70.35771	2.3
95.46191	1.1
97.02882	16.2
98.97571	6.9
99.34216	1.2
115.03919	1.4
115.05415	1.5
116.98638	4.6
125.02365	6.9
128.06161	6.7
129.06987	2.3
134.99626	1.6
141.06979	6.7
142.07793	4.1
143.03395	16.0
143.08565	10.1
153.07018	7.9
154.07790	1.9
155.08559	28.5
155.09801	2.3
157.10118	10.4
165.06972	23.3
165.08214	2.0
166.07730	7.2
167.08554	13.0
168.09329	5.5
169.06483	4.4
169.10133	5.5
171.08038	14.8
173.09673	1.9
177.07085	1.5
178.07761	8.7
179.08527	20.6
180.09319	21.0
181.06479	4.4
181.10110	8.6
182.10851	7.2
183.08049	3.8
183.11656	3.3
189.07045	4.3
190.07759	23.1
191.08522	12.5
192.09323	44.6
193.10114	7.7
194.10910	2.5
195.08076	8.8
195.11679	22.1
196.08731	2.4
197.13240	32.6
198.06761	1.4
198.13651	1.4
199.07544	8.6
202.07759	13.9
203.08519	3.1
205.10092	39.0
206.10826	1.6
207.08040	9.0
207.11671	20.3
208.08804	21.1
208.12323	1.3
209.09621	12.0
209.13193	3.0
210.10344	4.0
211.07411	1.4
211.11166	26.9
213.09056	2.4
215.10715	4.1
217.10098	23.3
218.10771	4.2
219.07991	5.8
220.08876	10.4
221.09650	4.1
222.06721	1.5
222.10487	2.0
223.11148	52.4
223.14632	2.4
224.11642	2.6
225.09235	6.6
225.12706	27.7
226.09784	3.4
227.10760	2.3
233.09558	6.5
235.07549	28.3
235.11142	66.1
236.08295	2.8
236.11739	4.2
237.09106	5.7
237.12773	3.9
238.13461	6.7
239.10576	1.3
241.08620	1.6
241.12163	2.8
246.10489	1.4
249.09052	1.8
249.12854	1.8
251.10660	46.9
251.14290	9.4
253.08543	3.3
253.12234	7.9
253.15871	17.9
254.09488	2.7
254.12944	2.8
255.09993	2.0
255.13742	2.0
261.09152	2.9
261.12766	2.2
264.11478	3.4
266.12985	1.8
268.11066	2.2
269.11697	2.6
269.15393	3.0
274.97528	4.5
279.10165	22.8
279.13806	23.4
280.10724	1.6
292.98602	5.0
296.25613	13.4
297.11209	100.0
297.14853	30.4
297.25848	6.5
298.11597	4.2
298.14874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05490	3.3
59.04987	2.6
67.05480	1.2
69.03391	0.9
69.07060	1.3
69.12915	6.8
71.50522	0.9
79.05500	1.7
80.32924	0.9
81.07055	1.9
83.04992	5.6
91.05476	1.4
98.97563	2.2
115.05459	2.9
116.98608	2.4
128.06253	1.3
129.06979	1.8
134.13083	1.0
134.99634	2.3
137.02318	1.1
141.06955	9.0
142.07790	3.2
143.08575	2.1
152.06203	3.9
153.06995	7.2
155.08549	12.6
157.10100	1.1
165.06985	23.8
166.07721	7.0
167.08554	22.0
169.06458	10.5
169.07722	1.7
169.10081	0.9
178.07761	10.2
179.08554	34.8
180.09294	9.3
181.06485	2.5
181.10098	7.9
189.06958	3.1
190.07774	5.2
191.08543	26.5
192.09325	88.1
193.06616	0.9
193.10063	8.4
194.07300	2.4
194.10876	12.1
195.08011	7.6
195.11719	2.9
197.05977	38.2
197.07788	2.1
197.13214	1.1
199.07530	10.1
202.07748	21.6
203.08521	5.2
205.06490	7.2
205.10094	9.1
206.07222	3.6
206.10822	3.7
207.08066	12.1
207.11685	28.9
208.08783	3.4
208.12175	1.2
209.09679	2.9
209.13240	39.7
210.13538	1.9
211.07520	2.2
211.11203	2.4
213.09097	4.5
215.08514	2.6
216.09309	1.8
217.10115	10.6
218.07187	2.1
218.10822	2.0
219.08061	13.1
220.08830	24.3
221.09439	2.6
223.07584	2.0
223.11066	2.2
226.09938	1.2
227.06982	2.1
227.10713	3.1
233.05963	2.7
233.09586	7.7
233.13249	2.5
235.11157	100.0
236.11459	4.9
237.09042	1.8
239.10698	2.1
241.08588	1.9
246.10332	1.1
249.09288	1.7
250.09911	3.4
251.07050	5.5
251.10677	7.6
251.14357	2.8
253.12196	8.8
254.02081	1.2
261.05292	0.9
261.06183	1.3
261.09085	15.3
261.12717	3.5
264.11377	3.6
267.13715	1.8
269.04318	1.9
269.08047	1.9
274.97620	4.6
279.06506	3.9
279.10156	10.5
279.13763	18.4
282.12341	1.1
292.98422	1.1
297.04202	1.7
297.07541	6.5
297.11188	37.5
297.14810	16.8
298.11414	1.8
298.14676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1121
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
57.36580	0.7
59.04993	2.5
67.05502	1.0
69.03429	0.8
69.07087	0.8
69.73078	2.9
71.04986	1.4
98.97585	2.7
109.02813	0.7
115.05477	3.2
116.98599	0.8
128.06227	1.5
129.07033	0.9
134.99638	1.0
141.06964	10.5
143.08574	1.5
152.06227	2.4
153.06982	2.7
154.07698	0.8
155.08560	6.5
157.06488	2.8
157.07704	0.8
165.06999	13.3
166.07796	6.1
167.08553	12.6
169.06453	11.3
169.07681	1.1
170.24440	0.7
178.07744	3.8
179.08551	17.4
180.09340	10.1
181.06494	3.3
181.10109	7.3
183.08089	1.4
185.09657	1.2
189.06949	1.7
190.07764	6.1
191.08525	4.7
192.09329	20.7
193.10100	4.7
194.07320	1.6
194.10919	7.0
195.08020	10.0
195.11678	6.0
196.08693	1.0
197.05968	64.4
197.13164	1.1
198.06502	2.2
199.07555	9.0
200.08192	0.8
202.07748	7.0
203.08554	3.9
204.09360	3.2
205.06575	1.5
205.10100	11.2
206.07297	1.3
206.10779	1.2
206.33913	0.7
207.08099	4.9
207.11659	10.0
208.08809	5.6
209.06001	1.8
209.09621	10.1
209.13203	11.0
210.06735	0.9
211.07553	2.2
213.09122	4.6
215.08534	1.3
217.10220	2.2
218.07327	3.4
218.10777	1.5
219.08086	3.0
220.08871	5.1
221.09497	3.4
222.06822	1.9
222.10237	1.4
223.07578	2.4
223.11176	21.5
224.11703	1.0
225.09016	0.8
227.10654	8.4
229.08621	1.0
231.08002	2.0
232.08826	4.2
233.09596	12.1
233.13141	3.9
234.09998	1.1
235.07608	5.9
235.11163	23.9
236.08327	3.8
236.11813	1.8
237.08990	3.7
237.12740	2.8
238.09892	2.4
239.10695	4.0
241.08556	0.9
246.10503	1.6
249.09181	2.5
250.09871	9.5
251.06941	1.4
251.10655	33.3
251.14485	1.4
252.11377	1.1
253.08659	2.7
253.12289	1.9
253.15994	1.3
254.09430	2.5
255.10132	3.1
255.13870	1.3
261.09146	5.3
261.12704	7.8
264.08337	1.2
264.11475	11.4
267.10223	0.8
267.13760	1.1
268.10950	7.5
269.11761	6.3
274.97528	2.6
279.07062	1.0
279.10211	23.2
279.13824	32.2
280.14066	1.1
292.98761	1.3
297.11240	100.0
297.14819	12.6
298.11673	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	297.1484
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
55.05501	0.4
57.07066	0.3
65.45304	0.2
67.05492	0.6
69.07053	0.4
71.03134	0.2
71.38531	0.2
78.60253	0.2
78.66701	0.2
79.05470	0.5
79.51634	0.2
81.07031	0.6
83.08595	0.3
86.78980	0.2
91.05515	0.2
93.07038	0.4
95.08566	0.4
98.23452	0.3
98.97565	1.1
100.05751	0.2
107.08566	0.5
109.10127	0.4
116.98595	0.8
134.99643	0.5
135.08110	0.3
142.07733	0.3
143.04991	0.2
143.08517	0.3
145.06433	0.2
145.10051	0.3
153.06931	0.4
155.08472	0.3
157.10083	0.3
165.06950	0.6
166.07735	0.9
167.08530	1.0
169.10095	0.6
171.08051	0.5
178.07690	0.3
179.08499	1.1
180.09261	0.7
181.06506	0.3
181.10135	1.8
183.08022	0.9
185.05870	0.3
185.09581	1.1
187.11240	0.3
191.08490	0.7
191.14320	0.7
192.09373	0.3
193.06516	0.4
193.10106	2.2
194.07213	0.4
194.10815	1.1
195.08028	1.3
195.11694	0.7
197.05962	0.8
197.09587	1.5
198.10207	0.2
199.07658	0.2
203.08569	0.4
204.09236	0.3
205.10199	0.2
207.07996	1.2
207.11786	0.4
208.08792	1.4
208.12440	1.2
209.09566	3.6
209.13176	0.7
211.07567	1.3
211.11066	0.3
212.08351	0.2
213.05305	0.2
213.09190	0.2
218.10870	0.9
219.08020	0.5
220.08768	0.2
221.06035	1.4
221.09552	2.9
222.10349	2.5
223.07553	0.5
223.11301	1.1
223.14775	1.8
225.09068	0.7
226.06226	0.3
226.09689	0.3
227.06996	1.8
227.14241	0.3
233.09708	0.3
233.13429	1.0
233.15424	0.9
235.07503	1.5
236.08350	1.5
236.11938	2.6
237.09067	3.3
237.12662	1.6
238.09894	1.0
239.07022	2.4
239.10622	0.9
240.07669	0.4
241.08592	0.9
246.10341	0.5
249.09045	3.6
250.09793	2.2
251.10225	0.5
251.14281	19.5
252.14626	0.8
253.08626	2.3
254.09352	17.2
255.09985	2.0
256.10953	0.3
261.12839	1.1
263.10605	0.3
264.11447	3.3
265.11789	0.4
267.10107	4.2
268.10907	9.1
269.11383	0.8
269.15311	0.7
274.97589	1.1
279.13770	12.7
279.22888	0.2
280.13928	0.5
282.12469	9.7
283.12848	0.5
292.98477	0.5
297.14816	100.0
298.15158	5.3
305.69968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1484
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
50.54983	1.0
55.05502	2.4
59.05006	7.8
67.05494	2.8
71.04981	4.5
71.42051	1.3
79.05467	1.3
81.07046	2.9
83.04952	1.1
93.07010	1.6
95.08591	1.7
98.97604	1.6
105.07015	1.5
107.08591	1.3
116.98588	1.1
129.07014	1.6
142.07854	2.0
152.06233	1.3
153.07010	1.3
155.08519	2.0
157.06439	1.2
157.10141	2.6
165.07024	4.8
166.07822	2.6
167.08553	5.0
168.05797	1.5
169.06474	2.4
169.10091	1.2
170.07213	2.6
178.07813	4.4
179.08559	4.8
180.09325	1.9
181.06511	2.6
181.10138	3.8
182.07317	1.7
182.80524	1.0
183.08038	2.3
185.09642	8.6
189.06966	2.1
190.07800	2.0
191.08565	3.2
192.09351	5.0
193.10146	9.0
194.07220	2.7
194.10895	1.6
195.08072	4.4
195.11746	1.5
196.08778	1.6
197.05945	2.3
197.09573	1.7
198.06799	3.9
200.08327	3.4
202.07823	1.6
203.08517	10.8
204.09355	4.9
205.06470	1.5
205.10121	7.3
206.10805	2.5
207.08020	2.2
207.11737	3.1
208.08847	2.2
208.12379	1.2
209.09509	6.7
209.13211	2.0
211.07547	4.0
211.11249	1.4
213.09082	42.5
213.11111	2.2
214.09653	2.6
215.08597	2.1
217.10103	2.2
218.10889	20.5
219.08052	2.5
219.11574	2.6
220.08887	5.5
221.09642	7.5
221.13177	1.5
222.06715	2.1
222.10413	3.5
223.11186	2.6
224.08195	1.6
225.09033	2.9
226.09834	2.7
227.10646	11.6
231.08022	3.7
231.11723	1.2
232.08780	6.2
233.09747	8.3
233.13228	23.9
234.10344	2.0
235.07501	2.2
235.11082	5.4
236.08215	1.8
236.11986	2.5
237.08861	2.3
237.12604	8.1
238.09584	8.5
239.10657	23.1
241.30214	1.2
243.11555	1.9
245.09712	2.9
246.10384	20.2
249.09048	2.8
249.12859	3.9
250.09894	11.5
251.10547	13.7
251.14368	2.5
252.11559	4.9
253.12170	12.5
254.09554	1.4
254.12843	2.5
255.10196	2.5
255.13814	15.7
261.12732	37.6
262.13260	2.5
263.00244	1.2
264.11435	31.3
265.11899	2.5
266.12988	4.8
267.11267	1.3
267.13773	35.5
268.13962	1.6
269.15393	1.1
274.97495	3.9
279.13766	100.0
280.14050	5.4
282.09872	1.9
292.98413	1.2
297.12155	9.5
297.14893	98.8
298.15271	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	297.1485
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
55.01871	0.4
55.05495	0.8
56.96558	0.9
57.07067	0.9
58.19564	0.4
67.05493	1.0
69.07060	4.9
69.74722	1.4
80.94850	0.4
81.07035	1.0
83.04980	2.2
85.10151	0.6
91.05480	0.5
95.08608	0.6
97.06516	1.3
98.23521	0.5
98.97566	5.0
113.09631	0.7
115.05455	0.4
116.98614	3.6
128.06209	3.7
129.03416	0.4
134.99649	2.7
141.06998	0.6
142.07770	1.2
143.08542	5.9
145.10110	0.5
155.05998	0.5
155.08562	0.6
156.05719	0.7
157.02831	2.7
157.06485	1.1
157.10112	4.9
161.09581	3.2
165.07010	1.0
166.07689	0.7
167.08530	1.1
169.06441	0.6
169.10149	1.1
171.08025	48.8
172.08417	1.7
172.94312	0.4
179.08548	1.3
181.06416	4.5
181.10095	2.6
182.07213	0.6
183.11644	0.8
185.05943	0.5
185.09578	1.7
191.08592	0.7
193.10069	2.5
194.10826	0.9
195.08034	2.4
199.07524	12.0
199.11284	0.5
208.12416	2.6
209.05927	6.9
209.09543	2.0
209.13202	1.4
210.06314	0.6
211.11118	1.0
212.08192	0.5
221.09618	1.2
223.14760	4.7
226.09808	0.5
226.13358	0.8
227.07057	0.6
227.10646	8.9
227.14209	1.0
228.11031	0.8
233.13342	0.8
236.11864	2.1
237.12703	0.5
239.10619	3.3
240.11208	0.5
241.12141	0.6
241.15845	4.4
251.14313	5.0
254.13025	3.8
256.96454	0.6
261.22223	0.6
269.15332	80.1
270.15659	4.1
274.97491	5.7
279.13849	0.9
292.98557	3.3
297.14807	100.0
298.15210	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	297.1484
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
56.96526	0.8
67.05443	0.8
69.03378	0.7
69.07005	1.7
79.05418	1.1
81.07005	1.5
83.04920	1.2
95.48391	0.6
98.97566	4.8
107.16917	0.6
116.98615	3.7
128.06161	0.8
129.06934	1.8
134.99579	1.7
141.06924	1.9
143.08473	2.3
152.06084	0.7
153.06898	2.8
155.08553	1.5
156.09258	1.8
165.06941	4.8
166.07758	5.4
167.08510	4.2
168.09369	1.1
169.06416	1.5
169.10065	2.2
171.11671	5.8
178.07692	1.8
179.08563	4.8
180.09247	2.3
181.06467	5.1
181.10107	7.7
182.07304	0.9
183.08011	1.3
183.11584	2.8
185.05991	0.8
190.07722	2.1
191.08493	2.7
192.09261	1.0
193.10089	9.7
194.07265	1.4
194.10909	3.8
195.08014	6.9
195.11595	1.9
196.08777	1.1
197.09531	1.5
198.06680	1.0
199.07454	1.4
200.08411	0.7
203.08559	5.0
204.09222	2.1
205.10088	3.9
206.10886	0.9
207.07950	3.5
207.11626	1.5
208.08731	2.2
208.12448	3.8
209.05972	7.9
209.09579	10.2
209.13174	2.0
210.10272	2.0
211.07510	1.2
211.11079	1.5
217.10109	1.9
218.10883	6.3
219.07964	1.7
219.11577	2.4
220.08727	1.5
221.09610	7.9
222.06761	1.2
222.10349	4.5
223.07674	4.0
223.11211	3.6
223.14706	3.9
224.08275	2.9
224.11795	1.0
225.16328	1.2
227.07014	4.5
227.10570	0.8
231.08000	1.8
232.08745	0.9
233.09608	3.6
233.13191	6.6
235.07599	5.0
235.11125	3.5
236.08321	7.9
236.11893	6.7
237.09091	7.5
237.12642	2.0
238.09807	2.5
239.14369	3.5
245.09584	0.8
246.10327	5.4
247.11089	2.0
249.09100	10.6
249.12924	0.9
250.09868	8.6
251.10583	3.9
251.14297	17.5
252.11481	0.6
252.14622	0.7
253.12395	0.6
253.15779	3.1
255.10173	1.2
256.11014	0.6
261.09140	1.1
261.12738	4.2
263.10751	1.4
264.08566	1.2
264.11420	24.9
265.12064	1.9
267.13641	1.1
269.15167	2.5
274.97440	3.0
279.13770	100.0
280.14157	6.0
292.98770	1.5
297.11295	1.9
297.14786	36.2
298.15500	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	297.1483
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
53.65467	0.9
55.01859	1.4
59.04998	5.7
67.33249	0.8
69.03416	1.1
69.50607	0.9
98.97559	3.4
116.98584	1.8
128.06206	6.5
141.06958	3.4
142.07719	2.3
143.08516	6.4
152.06200	1.8
153.06985	2.9
155.04919	2.3
155.08522	10.7
157.10104	3.0
165.06967	9.7
166.07718	3.8
167.08531	6.2
169.06458	4.5
169.10091	2.0
170.07201	2.2
177.07037	2.5
178.07738	25.7
178.09294	1.5
179.08513	9.0
180.09261	2.5
181.10088	4.3
182.07253	1.6
183.08060	1.7
184.05145	1.0
185.09602	7.5
190.07735	4.3
191.08556	4.9
192.09312	7.6
193.06450	2.7
193.10112	24.0
194.07378	1.4
195.08003	5.8
195.11649	2.5
196.08755	1.5
197.05980	6.5
197.09523	1.9
198.06682	4.4
199.07524	45.1
200.08029	2.6
202.07739	8.8
203.08527	18.4
204.09225	3.5
205.06433	2.6
205.10115	7.0
206.07269	3.0
206.10742	2.3
207.08022	5.6
207.11649	4.5
208.08763	3.9
208.12329	1.3
209.05943	1.2
209.09592	4.4
209.13188	2.5
210.06732	2.8
211.07512	3.0
211.11064	1.1
213.09076	41.8
214.09459	2.0
215.08661	1.0
216.09286	1.0
217.10091	3.8
218.07356	1.9
218.10858	13.9
219.08046	3.6
219.11371	1.7
220.08801	6.5
221.09581	91.2
221.13106	2.2
222.06743	1.2
222.09891	5.3
223.07492	3.2
223.11139	5.2
224.08287	1.5
225.08992	2.3
226.09853	2.0
227.10527	2.1
228.09332	1.3
231.08064	3.1
232.08801	1.6
233.05992	1.5
233.09674	8.7
233.13188	14.9
234.10333	2.6
234.13428	1.1
235.07442	1.3
235.11172	8.0
236.08189	1.9
236.11792	1.7
237.09053	4.2
237.12775	2.1
238.09799	9.4
239.10655	15.5
241.08534	1.4
243.11665	1.9
245.09579	1.0
246.10362	17.0
247.10907	1.7
249.09077	60.7
249.12854	2.3
250.09602	6.5
251.06924	1.8
251.10641	21.2
251.14453	1.4
252.11394	4.7
253.08508	1.3
253.09663	1.3
253.12184	12.5
254.09241	1.7
254.12715	1.8
255.10030	2.0
255.13734	13.2
261.08856	1.9
261.12720	27.9
264.07809	1.6
264.08261	1.7
264.11426	14.2
266.09506	4.4
266.12994	3.2
267.10123	16.7
267.13733	34.9
268.10757	2.0
268.14066	2.1
269.11685	1.6
274.97470	2.3
279.10126	22.7
279.13730	57.4
280.10629	1.8
280.14081	3.2
292.98447	1.4
297.11276	10.7
297.14771	100.0
298.15094	5.9
315.71152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1485
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
55.28965	0.6
56.96655	0.9
69.07163	1.2
69.72459	2.7
69.80715	0.6
79.05608	1.0
81.07172	0.7
93.03468	0.6
96.36810	0.7
98.97752	3.8
116.98792	2.2
129.07130	1.5
134.99797	1.5
141.07155	2.3
143.08748	1.9
149.06102	0.8
152.06322	0.6
153.06052	0.7
153.06978	3.0
155.08678	2.3
156.09511	1.9
165.06969	4.9
166.07808	3.3
167.08588	4.6
169.06662	2.8
169.10252	1.9
171.11696	6.3
178.07974	1.6
179.08569	6.2
180.09291	3.0
181.06473	4.1
181.10126	6.6
182.07396	1.1
182.10800	0.7
183.08163	1.0
183.11853	1.9
190.07880	2.2
191.08586	3.3
192.09454	2.2
193.10118	8.7
193.11665	0.8
194.07422	1.5
194.10858	3.5
195.08084	6.3
195.11690	3.4
196.08745	0.6
197.05977	5.6
197.09775	1.1
198.06758	0.9
199.07655	1.0
199.11212	0.7
200.08286	0.7
202.07907	1.7
203.08549	3.6
204.09435	2.3
204.26295	0.6
205.10168	3.1
207.08176	2.5
207.11847	1.8
208.08855	4.8
208.12444	4.2
209.05978	6.1
209.09621	10.0
209.13132	3.7
210.10458	1.3
211.07709	1.6
211.11313	2.8
213.09084	0.6
217.10165	1.5
218.07407	1.5
218.10884	4.9
219.08121	2.5
219.11629	1.2
220.08841	1.6
221.09589	6.7
222.06839	1.1
222.10501	2.9
223.07607	4.5
223.11124	3.5
223.14757	4.9
224.08322	2.6
224.11873	1.1
225.09221	0.8
227.06952	4.4
228.09550	0.8
231.08159	1.5
233.09686	3.4
233.13194	5.6
234.10121	0.7
235.07571	3.8
235.11121	6.7
236.08304	6.4
236.11914	5.7
237.09122	6.5
237.12830	1.4
238.09883	2.8
239.14388	3.2
245.09561	1.1
246.10355	5.6
247.11122	1.9
249.09117	9.0
249.12782	0.8
250.09851	7.3
251.06894	1.2
251.10735	9.2
251.14368	17.4
252.14717	1.2
253.15875	6.1
255.10229	2.1
256.96790	0.7
261.09216	0.9
261.12756	4.7
262.12863	0.7
263.10721	2.4
264.11444	21.2
265.12039	1.3
267.13663	1.0
269.15308	2.1
274.97433	3.6
279.10364	4.4
279.13782	100.0
280.14157	5.9
292.98584	3.7
297.11340	2.7
297.14789	37.0
298.15192	3.2
302.83710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1484
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
57.79289	0.6
68.11562	0.6
69.03426	1.8
79.05457	1.0
81.07052	1.2
81.90649	0.5
92.10699	0.6
98.97567	1.2
109.33665	0.6
129.06953	1.0
138.89412	0.7
141.06955	1.5
142.07765	0.6
142.70140	0.6
143.08569	1.9
153.06964	2.3
155.07428	0.6
155.08496	3.3
156.09346	2.4
165.06989	3.8
166.07764	2.8
167.08539	3.5
169.06506	1.0
169.10133	1.2
171.08061	1.0
171.11702	5.5
178.07828	2.0
179.08577	5.3
180.09358	3.0
181.06410	2.9
181.10117	6.2
182.07320	0.9
183.08060	1.8
183.11670	1.9
190.07787	1.5
191.08553	3.4
192.09262	1.3
193.10162	7.5
194.07246	1.0
194.10826	2.5
195.08031	4.8
195.11711	2.4
196.08820	0.6
197.09587	1.5
197.13292	0.8
198.06703	0.9
199.07472	1.0
199.57813	0.6
202.07823	0.8
203.08502	5.0
204.09297	1.4
205.10118	1.9
206.07182	0.6
207.08018	2.5
207.11624	1.6
208.08914	3.3
208.12485	3.6
209.06038	3.6
209.09601	8.8
209.13148	2.2
210.10193	1.0
211.07452	1.5
211.11116	2.4
213.09067	0.6
217.10120	2.0
218.10847	4.9
219.07990	2.2
220.08813	1.4
221.09621	5.9
222.06653	0.7
222.10437	3.2
223.07573	2.4
223.11134	4.7
223.14763	5.6
224.08345	3.4
224.11792	0.7
225.12856	0.7
227.07022	2.0
231.08028	1.4
233.09529	2.0
233.13235	6.3
235.07570	4.6
235.11121	4.9
236.08307	6.8
236.11897	4.3
237.09077	7.5
237.12698	0.9
238.09752	2.8
239.14381	3.5
245.09674	1.8
246.10378	5.6
247.11183	1.2
249.09093	9.2
249.11853	0.7
249.12608	0.6
250.09882	7.1
251.10574	4.7
251.14305	16.3
251.16856	1.2
252.14534	1.0
253.08586	4.9
253.15787	4.3
254.09219	1.2
255.10185	2.4
261.10034	0.6
261.12714	5.3
263.10663	1.8
264.11423	21.4
265.11838	0.8
267.13715	0.7
268.10986	0.7
269.15305	1.9
274.97372	0.9
278.12988	0.8
279.13773	100.0
280.14163	5.0
297.11310	5.2
297.14758	30.5
297.18231	1.3
297.25891	1.8
298.11688	0.9
298.15189	2.1
317.98224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1484
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
55.37569	0.7
57.16507	0.6
58.84278	0.7
63.39338	0.7
67.94032	0.7
69.07072	0.8
70.09622	0.7
72.16653	0.6
72.46242	0.6
79.05512	0.7
97.24979	0.9
98.97562	4.2
116.98618	2.2
129.06989	1.6
141.06976	1.6
142.07741	0.8
143.08546	1.6
153.07008	1.7
155.08586	2.3
156.09346	2.2
165.06987	3.1
165.57268	0.7
166.07805	3.9
167.08524	3.3
169.06499	0.9
169.10129	1.8
171.11676	5.9
178.07776	1.7
179.08542	6.2
180.09328	2.5
181.06485	3.1
181.10110	7.1
182.07249	0.8
183.08113	1.4
183.11700	1.0
189.07068	0.8
190.07796	1.9
191.08575	3.0
192.09262	1.4
193.10100	8.5
194.07298	1.8
194.10875	2.3
195.08022	4.3
195.11653	2.5
196.12364	1.4
197.09610	1.0
199.07610	0.9
203.08562	4.7
204.09271	1.4
205.10161	3.7
206.10826	0.7
207.08092	5.5
207.11525	1.3
208.08763	2.6
208.12456	3.7
209.06018	3.1
209.09612	8.8
209.13228	2.4
210.10265	1.1
211.07562	1.6
211.11191	1.3
213.09012	1.3
217.10013	1.3
218.10855	4.6
219.08035	1.4
219.11546	1.0
220.08821	1.4
221.09592	8.4
222.10405	3.7
223.07518	3.0
223.11217	4.3
223.14755	5.0
224.08296	3.0
224.11838	0.8
225.09013	0.9
227.07004	1.9
227.27718	0.7
228.09361	0.9
231.08078	1.2
232.08710	0.7
233.09590	2.7
233.13281	6.0
235.07491	3.6
235.11176	1.8
236.08295	6.6
236.11913	5.6
237.09018	7.8
237.12688	1.6
238.09818	2.8
239.14305	3.2
245.09685	1.3
246.10452	4.0
247.11218	1.5
249.09099	8.6
249.12733	1.7
250.09827	8.0
251.10629	4.0
251.14281	16.3
253.15849	4.7
255.10139	1.3
261.09192	2.4
261.12720	5.4
263.10571	2.0
264.11441	21.0
265.11765	1.6
266.13058	0.7
267.13754	0.9
269.11731	1.1
269.15366	2.3
274.97455	3.7
279.13779	100.0
280.14139	6.0
292.98596	2.1
296.25500	1.5
297.11319	1.6
297.14795	26.6
297.18301	1.5
297.25851	5.5
298.15131	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01852	3.1
55.05496	4.0
56.47802	1.1
57.03412	4.0
57.07059	3.3
61.02913	1.8
63.37151	1.0
63.72025	1.0
63.76967	1.1
65.03920	2.3
67.05496	13.7
69.03113	1.1
69.03428	12.1
69.07047	2.5
71.01343	1.4
71.04976	1.5
79.05496	6.7
81.03400	8.7
81.07037	7.6
83.04956	3.9
83.08590	1.6
85.02898	8.1
87.04453	1.6
91.05465	9.4
93.07037	35.7
95.01320	1.2
95.04962	4.7
95.08599	6.8
97.02882	6.4
97.06503	2.3
98.97580	3.0
99.04436	3.8
103.05445	3.5
105.04515	1.3
105.07024	9.6
107.04929	3.6
107.08589	26.4
109.02838	2.0
109.06483	2.9
109.10146	100.0
109.91551	1.3
110.10474	3.3
111.04420	3.2
115.03910	4.0
115.05401	1.2
116.98579	1.4
117.06991	2.7
119.08572	6.2
121.10136	19.9
123.04421	2.6
123.11696	5.8
127.03889	4.0
131.04922	7.9
131.08545	4.3
132.46669	1.2
133.06438	1.9
133.10126	9.2
134.99648	2.1
135.04443	1.4
135.08054	1.3
135.11681	39.1
136.06140	3.4
137.02350	21.1
137.03391	2.2
137.05933	1.8
137.09584	1.3
145.06407	1.2
145.10094	4.4
147.11653	5.8
149.06000	1.4
151.11121	3.7
153.05470	2.7
153.06941	1.2
153.12720	5.8
154.74368	1.1
155.08549	1.1
156.09315	1.6
157.10141	1.6
159.04419	4.3
159.08080	1.7
159.11653	5.8
161.09528	1.7
161.13246	1.8
163.07477	1.8
163.11165	4.7
165.07071	1.2
171.11664	2.7
173.09639	1.1
173.13245	1.6
175.11122	1.8
176.06181	1.7
177.05441	3.7
177.06999	3.8
177.12759	2.5
179.05318	1.2
187.03891	10.6
187.11169	1.9
189.12759	1.7
193.12206	3.2
195.08035	2.6
197.13281	2.2
201.12772	1.4
205.06461	17.2
209.05800	1.4
214.65799	1.4
215.14316	2.0
219.13744	1.4
221.19630	1.2
223.07562	9.2
223.09436	2.1
223.13225	3.8
225.12851	1.3
226.14264	1.2
233.05946	22.2
234.06491	1.5
241.10661	1.3
243.13773	4.5
246.82597	1.1
251.07085	17.1
252.07385	1.9
261.05475	8.1
261.12369	1.7
261.14859	19.9
269.07956	1.2
274.97287	4.7
279.06485	40.1
279.15878	3.6
280.06952	2.2
292.98303	4.2
297.07477	17.4
297.11356	3.2
297.16907	37.9
298.17227	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01849	4.4
55.05514	2.4
57.03427	4.0
57.07066	2.2
58.89141	1.1
61.02914	1.7
64.03098	1.1
65.03923	2.3
67.05504	15.0
69.03430	11.1
69.07057	1.9
70.06573	1.1
71.04952	1.1
71.43119	0.9
73.02906	2.2
79.05475	6.7
81.03436	7.6
81.07043	8.2
81.42665	1.1
83.04978	2.3
83.08589	1.4
85.02916	6.1
87.04465	1.4
91.05476	12.0
93.07042	34.2
95.01352	1.2
95.04958	4.9
95.08598	4.3
97.02893	7.7
98.97583	2.1
99.04433	3.6
103.05442	3.4
105.07018	6.8
107.04945	4.6
107.08590	28.3
109.02868	2.6
109.06512	2.8
109.10151	100.0
110.10448	2.8
111.04427	3.8
115.03893	1.8
116.98618	1.4
117.06974	2.7
119.04912	2.4
119.08578	6.8
121.06464	2.1
121.10155	18.8
123.04433	8.1
123.11685	5.9
127.03897	4.0
129.05475	1.3
129.06897	1.4
131.04927	6.1
131.08521	2.0
133.06453	1.2
133.10109	8.4
135.04411	2.8
135.11682	37.6
136.05223	1.9
136.06163	8.5
137.02318	4.9
143.08598	1.6
144.09380	1.1
145.04935	1.1
145.06639	1.4
145.10075	3.2
147.04390	3.8
147.08023	1.5
147.11649	7.0
148.69727	1.1
151.11143	2.0
152.06128	1.1
153.05438	1.0
153.12762	6.8
157.10091	2.1
159.04410	3.9
159.11673	5.8
161.02263	1.4
161.09605	1.3
161.13260	1.3
163.07582	1.5
163.11211	6.3
164.11737	1.1
165.06885	1.3
165.12651	1.4
171.06549	1.5
171.11644	3.4
175.11232	2.0
176.06201	2.2
177.06970	6.6
177.09027	1.0
177.12738	1.6
181.06447	2.6
184.78189	1.2
187.03882	8.0
187.11250	1.3
189.12708	1.9
193.12178	2.2
194.61546	1.2
195.08073	2.5
205.06483	13.7
206.07004	1.2
207.13869	1.7
209.06052	1.2
215.14334	1.8
219.13876	1.2
223.07567	11.2
223.13261	1.6
231.13802	1.1
233.05934	11.5
243.13756	3.1
251.07024	16.1
252.07501	1.7
255.06497	2.5
261.05536	3.2
261.14877	18.4
269.07938	2.8
274.97278	3.4
279.06516	29.6
279.15753	2.7
292.98267	2.1
297.07535	18.8
297.16925	35.4
298.17392	1.6
299.06311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1846
Annotation	3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol
Peak:m/z	Relative Intensity
55.01858	0.8
55.05508	1.1
59.04999	6.0
63.18161	0.6
67.44476	0.6
69.07060	0.8
70.72100	1.5
71.04977	0.8
147.41595	0.7
155.08588	1.8
159.10294	0.6
165.07008	2.1
167.08589	3.9
168.09323	1.5
169.10153	1.1
171.08054	0.9
179.08537	27.9
180.09088	2.5
181.06458	20.1
181.10010	1.4
182.07187	2.3
183.08002	4.3
183.11824	0.7
185.09612	1.3
193.10138	1.4
194.07301	0.8
195.08025	11.1
195.11696	1.6
196.08847	4.0
197.09596	27.2
198.06664	1.0
198.71606	0.7
199.07509	0.8
199.11143	1.3
201.12718	3.7
204.09279	1.0
207.07976	1.9
207.11600	0.8
209.09628	2.7
209.13206	2.2
211.11147	1.2
213.09114	0.9
213.12752	2.1
219.11710	2.9
221.09590	22.5
221.12968	4.7
222.10292	4.3
227.10626	0.8
229.12206	14.3
235.11134	11.5
236.11877	11.7
237.12704	55.9
238.13063	2.8
239.14272	100.0
240.14592	2.5
241.12276	2.0
249.12723	3.0
251.14281	5.9
254.09372	2.6
255.13763	1.4
261.16357	1.5
264.15045	5.3
268.10938	1.6
269.18961	1.7
279.13919	2.2
279.17395	37.8
280.17767	1.7
282.12466	1.0
297.14755	18.3
297.18420	12.6
298.15356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31753	0.3
55.05496	0.4
57.07055	0.3
57.48560	0.3
59.92085	0.3
65.73720	0.3
66.66591	0.3
67.05481	0.6
69.07061	0.7
69.26953	1.6
81.07059	0.4
95.08586	1.4
98.97556	0.4
103.60116	0.3
118.32815	0.3
119.08585	0.3
121.02897	0.4
124.82452	0.3
141.07018	0.5
142.07755	0.4
143.04881	0.5
143.08478	0.5
152.06238	0.5
152.42050	0.3
153.07004	0.6
155.08511	0.4
165.06981	1.2
166.07756	0.9
167.08572	1.2
169.06451	0.6
169.10185	0.6
171.07988	0.4
171.11600	0.3
178.07716	0.5
179.08537	1.6
180.09372	0.8
181.06538	0.9
181.10138	2.2
183.08035	0.9
185.09625	1.3
190.07899	0.3
191.08554	1.0
193.06505	0.4
193.10107	2.8
194.10849	1.5
195.08047	2.0
195.11746	1.1
197.05960	0.7
197.09612	1.2
198.06781	0.4
199.07603	0.7
200.08176	0.3
201.27966	0.3
203.08678	0.6
203.10664	0.6
205.10033	0.4
207.08046	1.5
207.11636	0.6
208.08794	1.2
208.12416	1.8
209.09616	5.0
209.13242	1.2
211.07559	1.4
213.09135	1.2
215.10663	1.1
218.10938	1.1
221.06041	1.5
221.09578	3.5
222.10358	2.6
223.07564	0.6
223.11169	1.7
223.14737	2.3
225.09077	1.2
226.06273	0.5
226.09846	0.6
227.06972	2.2
227.10594	0.7
231.84874	0.4
233.13272	1.0
235.07428	1.6
235.11127	0.4
236.08286	1.2
236.11887	3.1
237.09122	3.1
237.12675	3.0
238.09830	1.0
239.06981	3.4
239.10703	1.0
240.07704	0.7
241.08505	1.0
241.12268	0.8
247.11446	0.4
249.09088	4.1
250.09912	1.4
251.10323	0.8
251.14290	18.5
252.14723	0.8
253.08488	2.6
254.09335	16.4
254.13261	0.7
255.09996	1.5
255.13805	1.2
256.11032	0.5
256.14435	0.4
261.12689	0.8
263.10730	0.4
264.11417	4.0
265.12048	0.4
267.10135	4.8
268.10913	8.3
269.11557	0.7
269.15375	1.1
274.97507	0.4
279.13785	13.2
280.14044	0.9
282.12494	9.5
282.15039	0.2
297.14865	100.0
297.18375	13.4
298.15213	5.2
298.18677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1848
Annotation	3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol
Peak:m/z	Relative Intensity
55.01867	1.0
55.05506	1.4
55.31295	0.5
55.37818	0.5
59.04996	7.6
70.31638	0.5
70.31958	1.1
82.33784	0.5
127.36732	0.5
139.42715	0.5
153.06963	0.9
154.07695	0.6
154.80540	0.5
155.08580	2.4
157.10025	0.8
165.06996	2.1
167.08556	5.1
169.06529	0.6
169.10130	1.0
171.08031	1.0
173.09595	0.7
178.07765	1.6
179.08534	39.9
180.05687	0.5
180.09082	1.9
181.06454	26.0
181.10065	1.9
182.07207	2.2
183.08040	5.9
183.11711	0.5
185.09590	1.3
186.10399	1.3
191.08513	0.5
193.10075	2.5
194.07202	1.5
194.10837	0.7
195.08038	14.4
195.11690	2.3
196.08832	6.2
197.09598	35.5
198.06767	1.6
198.10019	1.7
199.07448	0.7
199.11139	1.4
201.09055	0.6
201.12677	4.2
204.09317	1.7
205.10068	1.0
206.10814	1.1
207.08075	1.5
207.11670	1.3
208.08820	0.8
209.09612	3.7
209.13138	2.5
211.07558	1.1
211.11185	1.2
213.08969	0.7
213.12656	3.3
214.09691	0.7
219.11632	4.1
221.09598	28.5
221.12968	5.1
222.10323	5.7
222.13480	0.7
222.99564	0.5
223.11137	1.6
225.08977	0.7
229.12206	14.1
230.12546	0.6
235.11145	17.2
235.14764	1.1
236.11903	12.1
237.12711	57.8
238.13020	2.9
239.14273	100.0
240.11407	1.1
240.14641	4.2
241.12256	2.2
249.12674	4.3
251.14363	4.6
254.09436	1.3
255.13696	2.1
261.16324	1.3
264.14996	6.2
269.18921	2.2
279.17401	40.4
280.17743	2.2
282.12451	0.5
297.14767	7.8
297.18442	13.5
297.23965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1848
Annotation	3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol
Peak:m/z	Relative Intensity
50.53047	0.5
52.84260	0.4
55.01870	1.4
55.05503	1.6
57.03420	0.6
59.04999	7.4
68.09212	0.4
69.03416	0.6
69.75514	1.6
71.15477	0.5
93.03366	0.4
98.97574	0.8
105.93877	0.4
107.08483	0.4
116.98574	0.7
141.07019	0.7
142.07816	0.6
152.06201	0.8
153.06947	0.6
154.07791	0.5
155.08589	3.1
157.06517	0.5
157.10110	0.7
165.06963	3.9
166.07716	0.7
167.08553	6.9
169.06464	1.0
169.10101	2.0
171.08086	2.1
178.07755	1.5
179.08545	44.9
180.05750	0.9
180.09152	2.7
181.06465	28.8
181.09941	2.4
182.07202	3.5
183.08026	6.6
183.11629	1.4
185.06049	0.7
185.09586	1.4
186.10382	1.2
190.07770	0.9
191.08534	1.6
192.09215	0.9
193.06464	1.3
193.10161	2.7
194.07262	1.5
194.10854	1.0
195.08037	17.2
195.11630	3.5
196.08792	6.5
197.09604	37.5
198.06706	1.7
198.09985	1.5
199.07532	1.5
199.11192	2.2
201.09068	1.2
201.12721	4.8
202.07791	0.6
203.08492	1.2
204.09332	1.6
205.10049	2.1
206.10818	1.3
207.08014	4.3
207.11707	1.3
208.08826	2.6
209.06047	0.4
209.09619	4.7
209.13213	3.0
211.07503	1.0
211.11168	1.5
213.09175	0.9
213.12675	2.3
214.09863	0.7
217.10089	0.7
218.10948	0.7
219.08075	1.4
219.11629	4.1
221.09596	31.8
221.12941	6.0
222.10327	5.5
223.11127	3.5
225.09035	1.6
227.10640	0.8
229.12230	16.8
230.12671	0.6
231.11797	0.5
233.09621	1.8
235.07588	0.8
235.11156	16.5
235.14774	0.8
236.08296	1.2
236.11926	14.5
237.08939	2.4
237.12718	60.9
238.13036	2.5
239.14278	100.0
240.11501	1.1
240.14621	4.6
241.12164	1.8
249.12700	7.1
251.10678	3.2
251.14299	5.1
253.08459	0.6
254.09325	2.2
255.10025	0.7
255.13779	2.3
261.16290	1.5
263.14334	0.6
264.15085	6.5
266.13092	2.0
267.06525	1.5
267.13669	0.6
268.10834	0.7
269.11652	1.8
269.15381	1.8
269.18854	2.2
274.97501	0.8
277.15646	0.5
279.10117	3.1
279.13858	1.8
279.17407	34.5
280.10767	0.7
280.17758	2.1
281.08017	0.5
282.08829	0.8
282.12354	0.8
297.11194	8.6
297.14813	13.1
297.18445	14.3
298.15137	0.7
298.18762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	12.0
59.33058	0.6
67.58521	0.5
68.77505	0.5
69.43700	1.3
69.44111	1.7
76.52280	0.6
90.55012	0.6
98.23382	1.2
98.97573	100.0
99.97939	1.1
101.00858	0.9
109.49059	0.6
116.98612	48.6
119.01898	1.8
130.93285	0.9
134.99644	13.0
153.00737	0.9
172.94337	4.9
174.97581	1.1
175.97777	0.7
177.00958	3.3
190.95343	4.4
201.00908	1.0
208.96277	0.8
214.95509	2.4
217.98851	2.0
219.01961	10.8
226.65161	0.6
226.82875	0.8
232.96437	6.6
235.99805	3.4
243.02037	0.7
248.94647	0.6
250.93541	0.6
250.97473	3.9
255.93408	1.7
256.96384	13.0
261.03030	14.8
262.03275	1.3
272.94479	0.8
273.94574	2.2
274.97467	78.0
275.97791	1.6
291.95563	1.1
292.98508	42.8
293.98810	1.3
298.18546	0.8
298.97684	5.0
299.09732	0.6
315.95676	0.9
316.98770	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	297.991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	13.3
59.69463	0.8
70.72948	1.4
82.24982	0.9
95.72086	0.8
98.97577	100.0
99.97896	1.2
104.59940	1.0
116.98610	49.4
125.42707	0.8
130.93233	1.0
134.99652	12.8
143.86479	0.9
153.00673	1.2
159.78468	0.8
166.07220	1.2
172.94373	4.2
174.97714	1.8
177.00955	1.3
190.95380	4.7
214.95471	3.3
219.01918	1.5
228.93198	0.9
230.81429	0.8
232.96410	7.7
250.97522	4.1
256.96368	11.6
257.94308	0.7
261.02991	3.4
274.97476	81.6
275.97604	1.6
292.98535	50.1
298.97818	2.9
316.98767	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	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
57.90093	0.2
61.01147	6.6
64.05728	0.1
68.01656	0.2
69.03436	0.4
69.27218	0.2
69.57301	0.3
69.57651	0.4
75.02700	3.1
90.81062	0.2
94.04034	0.4
95.43985	0.2
97.02901	1.6
103.02174	0.5
115.03931	0.2
119.03539	0.9
136.06174	100.0
137.04564	0.4
137.05589	0.2
137.06682	0.9
144.63142	0.1
145.03166	1.9
149.45584	0.2
154.82553	0.1
163.04204	1.3
185.06744	0.2
298.09656	3.6
307.89047	0.2
315.89063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1278
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
55.01891	2.4
55.05513	1.9
56.07317	1.5
56.68819	1.6
60.09084	1.9
67.05508	3.0
71.42735	3.3
73.01339	2.0
74.83159	1.7
79.92110	1.6
81.07107	3.2
90.69588	1.7
91.05523	2.2
95.08593	2.6
105.07069	1.9
107.08648	2.4
111.58572	1.8
119.08539	2.2
121.76627	1.9
123.04448	2.5
137.02341	4.5
141.07002	5.3
143.08604	2.2
143.14059	1.9
153.07030	4.6
154.07840	2.5
155.08536	6.8
157.10155	3.1
165.06998	12.0
166.07822	7.1
167.08530	10.6
169.06516	2.3
169.10129	3.2
178.07780	12.8
179.08562	18.3
180.09206	2.3
181.10065	4.7
183.08095	5.1
184.20064	1.8
190.07809	3.7
191.08566	14.6
191.81306	1.8
192.09338	43.9
193.10104	9.4
193.44420	2.0
194.07303	11.4
195.08047	9.6
196.08830	4.2
197.05957	3.4
197.13266	3.3
198.06898	2.8
202.07732	13.7
203.08563	4.6
205.06491	6.4
205.10178	6.3
206.10913	2.0
207.08102	10.7
207.11684	42.9
208.08638	2.2
208.12010	2.4
209.09663	4.3
211.07535	9.1
211.14796	2.9
212.08308	7.8
213.08952	3.0
215.08617	3.5
217.10065	10.5
219.07970	12.6
220.08815	26.0
221.06012	2.9
221.09499	10.1
222.06802	4.3
222.10353	3.9
223.07741	2.1
223.11191	5.9
224.08473	2.2
225.09152	17.4
225.12660	4.2
233.09500	4.6
234.10374	3.4
235.07576	4.4
235.11162	64.6
236.11633	4.9
237.09132	7.0
238.09825	13.9
239.06998	2.7
239.10677	18.6
240.07878	1.9
245.09674	3.9
248.08443	4.5
251.10715	3.4
252.11522	4.5
253.08444	4.0
253.12221	100.0
253.19524	4.6
254.12508	4.2
257.11743	15.1
263.10675	42.3
263.13977	2.9
264.11108	2.5
271.13284	37.1
281.11737	38.8
281.15332	6.7
282.11966	2.1
288.94058	2.0
299.05554	6.1
299.09186	5.8
299.12781	95.8
299.16397	17.1
299.20013	11.3
300.08572	4.5
300.13104	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	299.1276
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
55.01850	0.9
55.05487	0.4
65.03906	0.3
69.03418	0.3
70.01315	0.8
83.01307	0.3
98.97583	0.5
116.49940	0.3
121.02843	0.8
141.06969	1.1
142.07799	0.6
152.06174	0.6
153.06905	0.4
155.08537	0.9
159.07990	0.7
160.76740	0.3
165.06976	1.7
166.07695	0.8
166.16565	0.2
167.08553	1.0
169.06432	5.5
169.07639	0.7
177.06960	0.4
178.07776	5.2
179.08527	4.0
181.06458	0.7
181.10063	0.4
187.11081	0.4
189.06950	0.7
190.07742	0.9
191.08511	5.0
192.09308	30.4
193.10086	7.7
194.07210	0.7
194.10609	0.3
195.08047	2.6
195.11827	0.3
196.08673	0.6
197.05975	0.8
197.09586	1.2
199.07509	0.5
202.07745	19.9
203.08437	2.7
204.09315	1.8
205.06390	2.2
205.10114	0.9
206.07198	2.1
206.10898	0.6
207.08163	1.8
207.11652	12.2
208.08716	0.5
208.11865	0.6
209.09538	1.1
211.07574	0.5
211.11131	0.6
213.09015	0.5
215.08501	1.0
215.10646	1.6
216.09334	1.4
217.10085	17.7
218.07222	0.5
218.10504	1.2
219.08022	3.8
219.11539	0.5
220.08800	14.3
221.05914	1.1
221.09552	9.0
222.06598	1.3
222.10170	0.6
223.07474	1.5
223.11131	0.7
223.14694	0.3
225.08995	0.3
226.09824	0.4
227.10548	0.4
229.12215	0.4
230.07263	0.8
230.10884	0.8
233.09587	1.1
234.10336	0.6
235.11142	43.6
236.11482	2.4
237.12598	0.6
238.09789	0.8
239.10660	1.4
239.14227	1.1
240.07794	1.1
241.08641	0.5
241.12231	0.5
245.09497	2.6
247.07507	0.3
248.08287	5.0
248.11983	0.5
249.08792	0.5
251.10573	1.0
251.14267	1.2
253.08615	1.0
253.12294	1.6
257.11746	0.7
257.15402	0.7
263.10632	100.0
264.11011	5.3
264.14005	0.4
269.15344	0.8
281.11713	21.5
281.15179	2.6
282.11990	1.2
299.12766	3.5
299.16339	8.6
299.19687	0.4
300.16696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
59.05001	2.3
62.98242	0.5
67.05494	1.2
69.07055	0.7
69.43544	1.4
75.05872	0.4
80.65238	0.4
81.07040	0.6
98.97566	1.4
99.97900	0.6
105.07031	0.5
115.05437	1.2
116.98630	0.9
128.06194	9.9
129.06975	1.7
134.99600	0.5
141.06976	5.1
142.07805	2.1
143.08545	14.9
144.71046	0.5
145.06485	1.3
152.06107	1.0
153.06976	6.0
154.07776	3.7
155.08539	29.3
156.05702	0.6
156.08916	1.4
157.10106	2.6
165.07001	6.4
166.07753	3.6
167.08551	13.8
167.09949	0.8
168.09229	1.2
169.06438	2.4
169.10114	18.5
171.08025	2.2
178.07736	1.5
179.08543	14.9
180.09311	6.0
181.06522	2.9
181.10095	12.8
182.07268	0.8
182.10869	4.3
183.08000	1.4
183.11722	2.5
184.05185	1.4
189.06973	2.9
190.07758	1.1
191.08563	4.2
192.09270	1.4
193.10071	3.0
194.07196	2.4
194.10886	8.8
195.08049	3.7
195.11690	2.3
196.08723	1.1
196.12442	5.1
197.09612	6.8
199.07523	100.0
200.07864	4.5
201.09048	0.6
202.07742	2.0
203.08560	6.7
204.09340	13.5
204.11296	0.7
205.09956	0.8
206.10841	0.6
207.07971	3.5
207.11736	1.2
208.08797	9.4
209.09590	9.8
209.13213	7.6
210.10063	0.6
210.13597	0.5
211.07529	0.6
211.11336	0.7
211.14795	15.1
212.15114	1.1
213.08974	0.7
217.10123	0.7
219.11673	19.3
220.09006	0.7
220.12103	1.5
221.09584	2.1
222.10327	7.4
223.11052	0.6
235.11153	1.1
235.14748	0.9
237.12717	89.2
238.09914	1.1
238.13075	3.6
239.10655	2.2
241.08551	0.9
241.12257	1.1
248.12019	0.8
252.11279	0.5
253.12190	1.4
253.15793	0.9
255.13710	0.9
256.10849	1.5
263.10574	1.0
263.14322	1.7
266.12949	1.0
275.97849	1.1
281.11697	7.9
281.15320	4.8
284.13983	0.7
293.98798	0.8
299.12717	15.7
299.16348	17.7
299.19888	1.4
300.09787	0.5
300.16687	1.4
300.28873	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1277
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
54.02103	2.0
57.57337	2.6
70.06593	9.7
71.04955	3.5
79.05502	2.6
81.07057	4.9
89.36681	2.4
93.07065	3.2
95.08607	4.4
105.07055	2.6
115.05397	3.0
119.08588	2.8
121.02879	3.0
128.06227	3.3
129.07022	2.6
130.08652	16.6
131.08588	3.0
137.02339	5.4
137.05981	3.0
141.06985	3.3
143.08539	5.9
153.07082	3.9
155.08563	11.4
157.10155	5.7
165.07036	4.2
166.07741	3.5
167.08569	9.0
169.06458	6.9
169.10121	3.0
171.08049	18.7
173.09639	3.7
178.07887	3.5
179.08595	11.9
180.09361	3.1
181.06616	2.7
181.10048	3.3
189.09082	4.0
191.08591	6.6
192.09343	18.5
193.10112	4.8
195.08090	5.7
197.05969	12.2
197.09651	9.8
197.13327	7.0
199.07454	5.9
202.07793	3.0
204.09305	2.8
205.09860	3.6
207.11703	11.9
208.08803	3.1
209.09691	4.1
209.13351	3.1
211.07686	2.7
211.11162	7.7
217.08557	4.5
219.11748	3.1
220.08801	2.7
223.07500	4.4
225.05486	7.2
225.09161	12.4
225.12714	6.9
235.11172	16.3
237.12596	15.7
238.09865	5.6
239.10594	2.9
243.06544	10.3
253.05029	4.0
253.12219	100.0
253.15831	9.7
254.12543	3.5
263.10645	6.5
271.06085	8.5
281.04611	6.5
281.11722	64.7
281.15063	6.5
299.05502	20.6
299.09558	2.8
299.12787	17.8
299.16406	15.8
299.20001	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	299.1276
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
55.05492	0.5
63.34037	0.5
69.29984	2.6
83.87156	0.4
84.92633	0.5
97.81285	0.4
98.97559	0.6
99.35748	0.5
139.86699	0.5
141.06973	0.8
155.08534	1.1
157.10088	0.6
165.06970	1.1
169.06433	1.8
171.08026	5.5
178.07727	2.2
179.08553	2.9
181.06487	0.9
183.08038	0.6
183.11687	0.6
190.07626	0.6
191.08508	2.9
192.09309	25.8
193.10059	3.7
195.08029	1.1
197.13275	0.7
202.07747	8.5
202.19473	0.6
203.08493	0.9
204.09285	0.9
205.06444	1.1
205.10127	0.8
206.07153	1.5
207.08151	3.5
207.11671	16.4
208.11916	0.6
211.11168	4.7
217.10129	9.0
218.07306	0.5
219.08020	2.2
220.08815	15.6
221.09552	3.4
223.07471	0.8
225.09023	1.1
225.12657	0.5
226.54570	0.5
235.11153	100.0
236.11540	5.1
239.10645	1.1
245.09767	1.3
248.08295	3.1
251.07274	0.7
253.08615	0.9
253.12201	3.9
263.10645	56.6
264.10971	3.4
266.09329	1.6
275.97903	0.6
281.11694	83.7
282.11908	4.1
299.12750	33.0
299.19827	1.4
300.13165	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1276
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
69.99793	1.2
98.97565	0.6
115.01258	0.4
155.08484	0.9
157.10110	1.0
161.09657	0.5
165.06993	1.2
167.08568	0.5
169.06372	2.3
171.08028	5.0
173.96960	0.4
178.07767	1.9
179.08528	3.1
183.07945	0.5
183.11636	0.6
189.06940	0.8
190.07742	0.8
191.08569	3.1
192.09319	27.9
193.10086	3.8
195.08006	0.7
196.08649	0.5
197.05995	0.6
202.07780	8.6
203.08498	2.0
204.09369	0.9
205.06464	1.2
206.07291	1.6
207.08128	3.9
207.11673	15.5
208.12041	0.5
211.11177	5.0
216.09317	0.6
217.10094	9.0
218.10757	0.5
219.08008	2.5
220.08806	16.1
221.09512	3.3
222.06758	0.5
225.09055	1.2
225.12674	0.6
227.06921	0.5
234.10080	0.5
235.11156	100.0
236.11470	5.6
238.75447	0.5
239.10622	0.8
245.09731	1.3
248.08377	2.5
251.06989	0.7
253.12212	3.7
263.10654	59.3
264.10925	2.3
264.33307	0.4
266.09338	1.5
281.11703	87.9
282.12015	4.7
299.12766	36.0
299.15829	1.1
299.19800	0.8
300.13220	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1641
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
54.53456	0.3
62.40140	0.3
62.83862	0.3
67.05405	0.3
69.03325	0.7
69.06966	0.4
69.63560	1.2
79.05398	0.6
81.06952	0.7
95.08474	0.4
103.22796	0.3
103.55519	0.3
109.10033	0.3
114.67846	0.3
127.67716	0.3
129.06926	0.5
142.49461	0.3
143.08472	0.4
152.05980	0.4
165.07014	2.4
166.07664	0.4
167.08499	0.7
169.06351	0.9
169.10051	0.6
178.07744	4.4
179.08514	3.7
181.09961	1.4
182.07115	0.5
183.07918	1.5
183.11588	0.6
189.06845	0.4
191.08554	3.2
192.07651	0.3
192.09297	4.6
193.06439	0.9
193.10114	10.7
194.10701	0.9
195.08018	2.4
195.11577	0.5
196.12315	0.4
197.05879	0.5
197.09506	0.9
198.06645	1.3
199.07443	0.3
202.07695	1.2
203.08568	1.6
204.09093	0.6
205.06343	1.0
205.10114	5.1
206.07146	1.0
206.10886	5.3
207.08060	2.3
207.11670	3.8
208.08698	0.6
209.09619	1.8
209.13106	0.8
210.06648	1.0
211.07513	3.4
211.10942	0.5
212.08092	0.7
213.09091	1.0
215.08501	1.2
216.09099	0.7
217.10037	1.9
219.08006	6.2
219.11514	1.1
220.08852	5.3
220.12404	7.2
221.09586	14.7
221.13057	1.2
222.10352	5.7
223.07555	3.6
223.10971	1.0
224.08214	0.9
224.11914	0.7
225.09096	5.6
229.10057	0.5
230.10919	3.4
233.07314	0.7
233.09576	11.1
234.10371	8.8
235.11179	8.0
235.14790	13.3
236.11378	0.5
236.15054	0.6
237.09048	3.5
237.12663	1.7
238.09848	15.1
239.08159	0.6
239.10634	9.9
240.11389	8.3
245.13211	1.7
247.11113	1.2
248.11940	12.6
249.12552	0.8
251.10645	3.8
252.11432	10.7
253.12180	6.4
253.15796	0.8
256.10916	1.1
257.11594	0.8
263.10690	3.1
263.14282	26.1
264.14554	0.9
266.12994	9.8
281.11771	6.3
281.15311	52.1
282.15692	3.1
284.14163	0.6
299.16388	100.0
300.16727	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	299.1641
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
54.04575	0.9
55.74905	0.9
69.79892	0.9
69.80221	2.8
71.04981	9.5
73.26093	0.8
81.81319	0.8
128.06207	2.7
130.24261	0.9
141.06993	5.1
142.07808	0.8
143.08563	3.4
152.06197	1.4
153.06969	5.4
154.07777	1.5
155.08565	9.8
164.32280	0.8
165.06985	7.2
166.07834	2.1
167.08542	14.3
168.09216	0.9
169.06468	6.6
169.10159	7.0
171.08043	1.5
173.05968	1.7
177.07011	6.9
178.07750	13.0
179.08546	20.9
180.09286	2.1
181.06464	7.8
181.10100	5.1
182.07285	3.3
182.10931	2.6
183.08052	2.4
183.11697	3.1
187.07547	3.7
189.07021	1.1
190.07808	1.1
191.08534	4.2
192.09341	3.5
193.06403	1.9
193.10124	27.5
194.07176	1.5
194.10791	2.7
195.08044	32.1
195.11798	1.6
196.08823	6.5
196.12534	1.3
197.09602	47.3
198.06737	1.7
198.10002	2.4
199.07521	26.5
200.08073	1.5
202.07805	5.3
203.08549	8.4
204.09357	4.7
205.10080	4.8
206.07291	3.0
206.10880	2.6
207.08081	2.8
207.11690	3.4
208.08835	4.4
209.09550	6.8
209.13223	3.1
210.06691	1.2
210.10336	2.9
210.14037	0.9
211.07600	6.4
211.11150	10.9
211.14796	3.7
213.09094	3.6
215.08725	1.4
215.10678	6.3
216.09386	4.0
217.10095	1.8
219.08099	7.6
219.11606	4.4
220.08806	3.5
220.12430	3.0
221.09590	54.6
222.10156	4.4
223.07623	4.0
223.11108	7.9
224.08351	6.8
225.12816	1.2
229.12202	15.1
231.10080	4.7
233.09634	2.2
234.10390	7.7
235.11200	6.2
235.14778	4.9
237.09082	2.4
237.12726	26.4
238.09869	36.8
238.13437	3.0
239.10635	44.4
239.14313	50.2
240.11127	2.0
240.14540	1.9
241.12199	7.5
245.13260	2.4
247.11206	2.2
248.11954	3.4
251.10612	5.6
251.14330	2.8
253.12236	21.7
253.15814	5.5
256.10840	1.3
257.11682	4.3
263.14304	30.6
264.14798	1.4
266.13000	25.0
267.13406	1.2
269.15347	2.0
281.15341	100.0
282.15662	4.9
299.12863	3.0
299.16345	21.4
300.16760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1641
Annotation	Acerogenin A
Peak:m/z	Relative Intensity
55.05478	0.8
57.07064	0.8
71.18064	0.9
73.26084	0.5
76.66715	0.6
79.05502	0.6
81.07052	0.9
83.08633	0.6
85.10181	0.5
98.97566	1.1
104.22493	0.5
116.98573	1.3
129.06992	0.6
141.06934	0.7
152.06131	0.8
153.06960	0.6
154.49367	0.6
155.08488	0.9
156.94789	0.6
165.07013	1.7
167.08542	1.4
169.10086	0.9
171.11739	0.7
178.07738	3.4
179.08542	2.8
179.49239	0.6
180.09286	0.9
181.10039	1.4
182.07207	0.7
183.08031	1.3
191.08556	1.9
192.09331	2.3
193.10114	7.5
194.10684	0.8
195.08014	1.6
195.11655	1.7
197.09547	1.1
198.06776	1.0
202.07748	0.8
203.08594	1.3
205.10013	3.9
206.07237	1.2
206.10838	2.9
207.08104	2.6
207.11681	3.0
208.08704	0.7
209.09659	2.7
211.07498	3.0
211.11136	1.4
213.09116	1.4
215.08501	1.2
219.08025	4.3
220.08955	2.8
220.12427	6.5
221.09572	8.7
221.12978	0.8
222.10391	3.7
223.07437	2.4
223.11099	4.0
224.08354	1.1
225.09076	5.4
225.16391	1.3
230.10890	1.4
233.09602	8.1
234.10367	5.5
235.11140	4.7
235.14783	9.5
237.08957	3.7
237.12640	0.6
238.09862	13.1
239.10637	11.8
240.11407	4.1
245.13306	0.8
248.11932	9.1
249.12442	0.8
251.10652	4.1
251.14330	1.1
252.11430	12.2
252.96465	0.6
253.12215	5.3
253.15897	1.8
256.10999	2.0
263.11539	1.1
263.14307	18.8
264.14603	1.3
266.13004	9.1
275.97946	1.0
281.15332	45.3
282.15686	2.5
293.98761	0.6
298.31036	2.1
299.16385	100.0
300.16748	5.2
300.28641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1641
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
55.05506	2.0
57.07060	3.8
58.56530	1.1
59.04996	6.9
69.07069	3.4
71.08621	1.7
79.05467	1.3
81.07050	3.7
83.08611	1.8
91.05487	1.6
95.08593	2.5
98.97588	1.5
109.10139	1.2
116.98566	1.3
119.08547	2.1
120.92306	1.1
133.10222	1.2
153.06981	3.5
154.07704	1.4
155.08444	1.4
165.06953	2.6
166.07765	2.4
167.08545	5.5
169.10173	6.0
173.05975	3.8
177.07071	1.2
178.07802	7.3
179.08511	6.3
180.09399	2.0
181.06474	7.5
181.10020	5.4
183.08035	1.3
185.09717	1.2
187.07545	1.8
187.11150	4.7
190.07646	1.8
191.08542	2.4
193.10100	34.3
194.07184	1.6
194.10596	2.6
195.08032	11.6
196.08868	3.7
197.09587	20.4
198.06776	1.9
199.07504	4.2
205.10120	4.8
206.07281	3.0
207.08063	1.7
207.11630	2.0
208.08887	3.2
209.09610	19.7
210.10347	3.4
211.07503	1.3
211.11220	3.3
212.08360	2.6
213.07286	1.1
213.09045	6.0
214.09729	1.3
215.08696	1.8
215.10629	27.3
216.09294	1.8
220.12367	6.2
221.09586	59.6
222.10324	5.6
223.07556	2.9
223.11214	8.9
223.14757	3.3
224.08376	1.5
224.15945	1.2
225.09033	1.8
226.09866	3.3
227.10558	8.6
228.11441	1.8
229.12202	2.3
230.10933	8.9
233.09572	6.7
235.11159	4.7
235.14801	4.5
236.11774	1.5
237.12706	5.0
238.09885	7.1
238.13597	3.6
239.10660	16.5
239.14253	15.1
240.11143	1.1
241.12221	7.2
245.13293	5.3
248.11967	11.8
251.14276	19.6
253.12279	3.8
253.15782	1.6
255.13786	3.7
257.11743	17.1
257.15228	9.0
263.14282	34.7
264.14618	2.1
268.14569	4.7
269.15329	11.9
271.17093	1.3
281.15359	16.3
286.84698	1.1
299.16397	100.0
299.19662	3.7
300.16562	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	300.024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46957	1.6
56.96561	11.6
57.55686	1.6
70.49660	2.8
98.97572	100.0
101.00868	1.9
110.87115	1.5
116.98608	67.4
119.01942	7.0
121.01653	1.6
121.06455	3.3
133.03511	1.8
134.99648	23.4
138.05513	6.7
153.00746	2.7
174.97707	5.7
175.97736	3.1
177.00983	6.7
178.01106	3.4
179.00694	7.1
186.66252	1.7
191.17473	1.6
192.94740	1.7
192.98708	1.7
193.98889	2.4
204.02655	4.2
210.95985	3.8
215.95981	3.0
216.98601	3.1
219.02042	10.6
220.02142	6.9
221.01878	8.7
223.01633	2.2
233.96851	5.6
234.96129	2.8
234.99730	1.9
235.03212	2.3
240.98740	4.8
245.01836	3.3
251.97958	5.5
252.97247	3.1
257.97363	9.6
258.03708	3.3
258.96951	4.2
258.99734	60.1
259.99796	2.6
261.03104	2.5
262.03040	3.3
263.02835	33.2
265.40140	1.8
275.97894	13.0
276.04688	3.3
276.97528	9.0
277.00781	84.2
277.04391	9.4
278.01031	5.3
282.97064	1.9
282.99927	9.4
293.98904	3.5
294.98016	4.9
299.97958	27.6
300.01981	3.0
300.09869	8.5
300.97562	8.9
301.01096	13.5
317.98901	41.3
318.02612	2.8
318.98624	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	300.1229
Annotation	Caffeoyl tyramine
Peak:m/z	Relative Intensity
54.92097	0.6
65.03945	0.9
69.12264	1.7
69.12680	2.7
71.20555	0.6
79.05485	3.2
89.00686	0.6
91.05469	5.2
92.05000	1.9
93.07032	4.1
94.02933	1.0
94.06577	2.1
95.04993	3.4
102.50001	0.6
103.05429	2.9
105.04517	2.2
106.04161	0.7
106.06556	1.0
107.04948	100.0
108.05285	1.8
109.05274	1.8
109.06494	1.0
110.06039	0.7
111.04480	0.8
111.05289	0.7
116.98623	1.0
118.06556	1.1
119.04958	0.7
120.04470	8.2
121.06500	21.9
122.05999	0.7
122.06843	0.6
124.07588	17.0
125.05979	1.3
125.07971	0.7
133.02841	1.3
134.06003	3.6
135.04399	2.2
135.06779	1.5
136.07625	0.8
137.04758	1.5
137.05977	2.4
139.07507	0.9
146.06010	3.9
146.41774	0.7
148.03917	3.2
149.05956	9.4
151.03897	1.4
151.06325	1.0
152.07059	33.8
160.07672	0.6
162.03111	1.5
162.05521	3.0
163.03934	1.7
164.07097	1.4
165.05504	1.6
166.08638	1.0
167.07059	1.8
172.08543	0.6
174.04176	0.6
174.05476	4.1
177.05443	5.6
180.05298	0.7
180.06546	39.6
194.08118	63.7
194.31667	0.5
195.08473	1.8
206.08127	2.9
245.51453	0.7
268.09601	2.4
269.10538	1.4
271.09671	2.7
300.12296	42.1
301.13501	0.8
310.06412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67615	1.0
69.53066	1.7
69.53462	3.5
72.14679	1.1
98.97578	4.1
102.09296	1.1
114.27877	1.0
116.98592	2.5
119.01944	1.1
120.96606	1.4
124.21780	1.1
136.94011	100.0
139.02863	1.1
148.99939	1.2
177.00922	6.5
179.00772	2.4
180.97580	2.0
194.48599	1.0
197.18152	1.0
198.98560	1.2
216.98769	2.7
218.94458	2.7
219.02005	8.0
221.01833	3.4
222.01878	1.4
233.03564	4.6
234.99698	1.2
245.07779	1.3
246.02231	1.3
258.99396	1.8
259.01596	3.0
261.03018	2.8
263.02847	9.2
264.02945	7.1
270.99243	1.1
273.03036	2.6
274.03333	1.2
277.02545	3.5
300.09778	1.3
301.02765	6.0
301.09073	3.8
301.14066	37.3
302.14413	1.4
319.03445	1.5
320.84109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.71815	0.4
55.01838	0.5
65.03885	0.5
66.01047	0.9
71.41070	0.5
75.64473	0.4
78.01043	0.5
81.07030	0.4
82.71798	0.4
85.59706	0.4
93.06997	0.5
94.04128	1.9
95.08554	0.5
105.06967	0.5
107.08531	0.5
109.36156	0.5
115.47547	0.4
121.02100	0.5
121.02864	6.0
126.03156	0.5
127.01543	0.5
132.28535	0.4
136.01532	2.2
137.02312	1.1
147.11726	0.4
153.01752	1.1
159.11671	0.5
173.45534	0.4
184.05260	2.3
188.04657	1.6
193.01236	0.5
212.04642	2.3
213.05434	3.9
229.04970	4.5
230.05489	0.5
240.04108	0.8
241.04895	1.6
257.04401	2.4
258.05237	13.3
269.04443	0.6
285.03915	36.0
286.04688	91.9
287.05115	4.9
301.07050	100.0
302.07385	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	301.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39267	0.3
55.05509	1.5
67.05492	1.0
67.12492	0.3
69.07053	3.2
79.05453	0.5
81.07056	1.8
83.08618	0.6
91.05463	1.3
92.15590	0.3
93.07053	1.1
95.08595	0.8
96.05291	0.3
97.10146	1.2
101.76968	0.3
103.54587	0.3
105.07008	1.0
107.08605	0.4
109.06494	0.3
109.10147	0.9
117.07014	1.2
119.08617	0.4
121.06487	1.4
121.10146	0.3
123.11713	1.1
126.66126	0.3
129.06995	0.8
131.08543	1.3
132.23618	0.3
133.06474	0.5
137.05965	5.4
139.03903	0.4
141.07002	0.3
142.07735	0.8
143.08531	1.4
145.06483	1.6
145.10193	0.6
147.08031	1.0
149.13217	0.4
150.06786	0.7
151.07536	1.2
153.05432	0.3
155.08574	0.9
157.06471	0.8
157.10133	0.8
159.08066	2.0
159.11592	0.4
161.05945	0.7
161.09605	0.8
162.06654	0.4
163.07489	3.1
169.10153	0.4
170.10893	0.6
171.08061	1.0
173.09595	0.8
175.07538	1.4
175.11194	0.4
176.08337	0.7
177.09103	2.6
178.06306	0.5
185.09604	0.9
185.13269	0.4
187.07521	5.9
187.11189	0.5
188.08163	0.5
189.09094	4.0
191.06964	0.3
191.10667	0.9
197.09650	0.4
199.11188	1.0
200.08327	0.5
201.09059	0.8
202.09964	0.4
203.10654	15.1
209.62321	0.4
213.09065	0.7
213.12645	0.4
215.10635	4.2
216.11377	0.6
217.12282	0.7
227.10608	0.6
229.12193	0.7
241.12154	1.5
253.47676	0.3
255.13994	0.3
255.17476	0.8
256.14560	7.2
257.15158	0.7
258.27838	1.0
271.16895	16.8
272.17648	8.1
273.18408	5.3
283.16901	0.4
301.08676	2.6
301.17953	100.0
302.18311	3.8
315.81247	0.3
324.36386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1182
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
53.51759	0.3
55.01854	0.3
64.95323	0.3
65.03931	1.8
67.05479	1.2
69.36568	1.5
73.06346	0.3
81.06992	0.4
82.02914	0.3
91.05463	0.7
92.05000	2.7
93.07005	0.4
94.06536	0.6
95.04932	0.5
108.08087	0.4
109.43407	0.3
110.06017	0.6
115.05408	0.3
118.06541	0.4
120.04451	2.4
122.06024	1.7
124.80340	0.2
129.06949	0.4
130.06555	0.4
134.05960	0.5
136.07550	2.4
141.06973	0.9
142.06477	0.3
143.07266	0.4
144.08035	0.6
147.96072	0.3
148.03914	0.6
152.06165	0.3
154.06499	0.7
154.07689	0.5
155.05928	0.3
155.07227	0.4
155.08505	0.7
156.08087	0.8
157.08766	0.3
159.09138	0.7
160.07558	0.8
161.07108	0.6
162.05466	1.6
165.06967	1.2
167.07285	2.2
167.08566	0.5
168.08162	1.3
169.07591	1.0
169.08836	1.8
169.10098	0.5
170.08315	1.5
170.09686	0.9
171.09091	0.5
171.10393	0.4
172.07529	0.6
172.11217	0.5
173.07050	0.7
181.08896	0.6
182.06004	0.3
182.09625	3.3
183.09129	3.5
184.07550	1.0
184.09818	3.1
184.11198	1.6
185.07101	0.5
185.10706	1.1
186.09221	0.4
186.11363	0.4
187.08646	2.6
195.06805	0.3
195.09164	0.5
196.07568	0.7
197.06892	3.2
197.08398	0.8
197.10707	0.5
198.07755	3.6
198.09393	0.6
198.10867	0.2
198.11589	0.3
199.08578	1.3
199.12300	7.3
200.10680	0.9
200.12453	0.3
209.10741	0.8
210.09154	6.6
211.08597	6.7
211.83420	0.3
212.09221	10.1
212.11113	0.6
213.10081	3.4
222.07834	0.4
223.08623	0.5
225.06598	2.7
225.10251	1.3
226.07231	2.4
226.10979	0.9
227.08061	1.1
227.11760	24.7
228.12085	0.8
237.10228	2.2
238.08583	1.5
239.08154	2.4
240.08887	12.3
241.09700	12.0
253.09692	1.1
254.10439	0.8
255.11259	100.0
256.11603	4.0
257.12827	2.5
273.12451	0.7
280.41321	0.4
283.10751	22.0
284.11075	0.9
301.11789	18.0
301.21326	0.7
302.12204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39225	0.4
69.76280	1.6
88.01231	0.4
98.78996	0.4
98.97594	0.7
111.46260	0.4
142.53795	0.4
147.04436	0.8
160.89842	0.5
174.72681	0.5
280.57907	0.5
301.12527	100.0
302.12823	3.4
313.02487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76272	0.3
59.20254	0.3
83.84315	0.4
84.08153	0.4
89.87139	0.4
92.85859	0.4
133.47247	0.3
139.08589	0.3
155.04823	0.4
206.66205	0.3
219.11644	0.4
301.12531	100.0
302.12866	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	301.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.3
57.19580	1.2
67.05511	3.8
69.03442	1.7
69.07098	1.4
69.72034	5.1
71.05000	1.7
73.84582	1.4
78.62215	1.2
79.05485	4.5
81.07043	4.5
81.70428	1.7
83.05016	1.5
84.58286	1.5
84.87105	1.8
91.05483	5.0
93.07045	5.2
95.04969	3.2
95.08601	5.9
100.93295	1.4
104.29269	1.4
105.07008	7.4
107.08612	5.7
109.06535	2.1
109.10178	5.5
111.08113	1.4
117.07005	2.2
118.16237	1.5
119.08571	7.3
121.10123	3.9
129.06976	3.1
131.08568	3.8
132.05060	1.4
133.10146	5.3
135.11671	1.7
137.05945	4.4
137.09500	1.6
139.03903	1.5
142.07745	1.7
143.08591	3.8
145.06580	2.3
145.10164	4.4
147.11703	3.4
153.93102	1.3
155.08554	3.4
157.10144	4.2
159.11722	4.2
161.09593	13.4
161.13283	3.1
163.11203	2.4
168.09274	1.9
171.11711	3.9
173.09718	1.7
173.13278	2.5
175.11139	1.6
179.08560	5.2
180.09221	1.6
181.10133	2.8
185.09596	1.9
187.07556	3.7
187.14786	2.9
190.07805	3.9
191.08537	6.3
191.14059	1.5
195.08070	2.3
195.11685	2.9
196.08788	2.7
197.09485	2.9
199.14751	2.7
202.07768	6.9
203.08559	15.4
203.10501	2.2
204.09328	66.5
205.09785	3.1
206.07307	5.2
209.13191	3.5
213.09201	3.9
215.10741	1.9
215.20062	1.5
217.10143	6.4
218.10741	1.7
219.08144	5.7
219.11667	69.7
220.12042	4.4
222.10388	1.5
224.08286	12.6
227.10646	2.2
229.10109	9.7
231.08197	2.3
231.17807	1.5
232.08847	28.4
235.11212	4.2
237.09065	4.0
237.12704	7.9
247.11171	99.2
248.11604	5.8
250.09962	1.8
255.21036	1.9
265.12228	100.0
266.12622	5.1
276.32489	1.4
283.13293	10.4
283.16260	1.6
283.20612	4.9
301.14249	8.4
301.17975	50.5
301.21625	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	301.1795
Annotation	4-Methoxyestrone
Peak:m/z	Relative Intensity
55.05492	1.5
61.66278	0.4
66.90990	0.4
67.05501	0.8
69.07063	2.4
70.04254	0.7
70.04603	0.9
81.07043	1.8
83.08614	0.4
87.65560	0.4
91.05487	0.8
92.58351	0.4
93.07027	0.9
95.08562	0.6
97.10144	1.2
105.07003	0.8
107.08588	0.6
109.10141	1.3
111.72392	0.4
117.07009	1.2
119.08562	0.6
121.06487	1.3
121.10100	0.5
123.11691	0.9
129.06963	1.3
131.08571	1.4
137.05992	4.4
143.08546	1.2
145.06467	2.5
147.08032	1.3
149.13245	0.6
151.07491	0.8
157.06569	0.6
157.10130	1.5
159.08063	2.2
161.06001	0.4
161.09671	0.5
162.06714	0.4
163.07518	4.1
170.10857	0.7
171.07990	1.0
171.11578	0.5
173.09581	1.1
175.07552	1.8
175.11238	0.7
176.08305	0.7
177.09099	3.2
185.09616	1.3
187.07510	4.6
187.11145	0.7
188.08061	0.6
189.09074	5.0
191.10590	0.7
199.11209	1.0
201.09070	0.9
203.10645	17.2
204.11046	0.9
206.10315	0.4
215.10664	5.1
216.11418	0.4
216.98376	0.4
217.12251	0.8
229.12204	1.3
257.15323	1.1
271.16946	1.2
272.17676	9.3
273.18454	6.3
274.18829	0.6
301.17950	100.0
302.18237	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	301.1798
Annotation	4-Methoxyestrone
Peak:m/z	Relative Intensity
55.05507	1.4
56.20010	0.2
57.07056	0.3
65.43559	0.2
67.05495	1.4
67.85851	0.2
69.07066	3.3
69.75768	0.6
69.76099	0.2
79.05469	0.6
81.07040	2.5
83.08603	0.7
91.05473	0.8
93.07026	1.1
95.08597	1.4
97.10168	1.5
98.22742	0.4
103.55584	0.2
105.07017	1.1
107.08592	0.8
108.70947	0.2
109.10141	1.3
115.05456	0.3
116.98623	0.3
117.07024	1.2
119.08565	0.9
121.02808	0.3
121.06492	1.5
121.10116	0.5
123.11731	1.0
126.40150	0.2
128.06213	0.5
128.24136	0.2
129.07018	1.0
131.08545	1.4
133.06458	0.4
133.10115	0.3
134.99591	0.2
135.08047	0.5
135.11662	0.4
137.05968	5.2
139.03893	0.4
141.07016	0.3
142.07776	0.5
143.08589	1.1
145.06468	2.4
145.10098	0.7
147.08017	1.1
147.11661	0.6
149.05891	0.3
149.13248	0.6
151.03810	0.2
151.07509	1.6
153.05562	0.3
155.08559	0.5
157.06474	0.8
157.10129	1.3
159.08047	2.1
159.11606	0.3
161.05974	0.7
161.09584	1.1
161.13248	0.9
162.06755	0.3
163.07526	4.8
163.14841	0.3
165.09061	0.3
169.10143	0.6
170.10864	1.0
171.08017	1.3
171.11708	0.6
173.09564	1.1
175.07527	2.1
175.11246	0.5
176.08325	0.9
177.09067	3.7
179.07040	0.4
181.10019	0.3
185.05925	0.2
185.09586	1.6
187.07518	5.6
187.11140	0.9
188.08246	0.3
189.09091	4.8
190.09906	0.3
191.06981	0.2
191.10696	0.7
195.07997	0.3
197.09537	0.3
199.11140	1.1
201.09129	1.1
202.09872	0.6
203.10655	20.2
204.11057	0.7
213.09061	0.8
215.10641	5.0
216.11334	0.8
217.12221	0.8
227.10533	0.3
227.18034	0.3
229.12206	1.4
241.12384	0.3
255.13751	0.4
255.17497	0.7
256.14572	0.6
257.15317	1.2
271.16946	2.4
272.17685	10.9
273.18448	7.3
274.18799	0.4
283.16925	1.3
301.17950	100.0
302.18283	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	301.1796
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
51.46201	0.3
57.07056	0.9
66.81521	0.3
69.88171	0.7
69.88534	0.6
70.06583	1.1
72.01801	0.3
83.30476	0.3
88.07616	1.2
95.06176	0.3
97.10126	0.3
98.23590	0.3
102.09207	0.4
105.07010	0.3
105.23804	0.3
106.08650	0.3
109.10180	0.5
127.71313	0.2
137.05972	1.0
144.78505	0.3
147.08011	0.3
150.06712	0.5
155.08562	0.3
159.08000	0.4
163.07512	0.6
171.08034	0.3
178.06236	1.0
187.07515	0.4
189.08997	0.4
199.07533	0.4
200.08322	0.4
215.10713	0.6
241.12207	0.7
256.14575	4.0
271.16895	22.4
272.17294	0.8
273.18674	0.3
284.29593	0.4
301.08759	2.0
301.17953	100.0
302.18268	4.9
302.30484	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	301.18
Annotation	11alpha-Hydroxyandrosta-1,4-diene-3,17-dione
Peak:m/z	Relative Intensity
50.39605	0.0
50.64538	0.0
54.37703	0.0
55.05508	0.4
56.05025	0.1
57.07068	8.1
58.06591	0.8
60.04513	0.1
62.06077	0.5
67.05512	0.1
68.05022	0.3
69.03413	0.1
69.07053	0.3
70.06582	14.6
71.01987	0.1
71.08621	3.5
72.08163	0.1
72.55286	0.0
74.06108	0.2
74.20690	0.0
81.07049	0.2
83.08585	0.1
85.10170	1.7
86.06049	0.3
88.07617	17.9
91.05470	0.1
93.07059	0.1
95.04987	0.0
95.08600	0.2
97.10173	0.1
98.97592	0.1
102.09164	5.0
104.07123	0.1
105.07011	0.1
106.08651	9.8
107.04970	0.0
107.08561	0.1
109.10150	0.1
116.98631	0.1
119.08578	0.1
121.06454	0.1
121.10110	0.1
131.08549	0.1
133.10127	0.1
135.08063	0.1
135.11694	0.1
137.05956	0.5
141.06914	0.1
143.08565	0.1
145.06479	0.1
145.10170	0.1
147.08130	0.1
147.11679	0.1
149.09541	0.1
151.03836	0.1
151.07526	0.1
153.07033	0.1
155.08524	0.6
157.06473	0.1
157.10141	0.1
159.08029	0.1
159.11600	0.1
161.09741	0.1
161.13208	0.0
163.07552	0.1
165.06944	0.1
166.07687	0.1
167.08560	0.2
168.09311	0.3
171.07999	0.3
171.11707	0.0
172.08748	0.1
173.05896	0.1
173.09581	0.2
175.07669	0.1
181.06456	0.1
181.10133	0.1
183.07991	0.2
183.11577	0.1
185.09593	0.1
187.07555	0.6
189.09238	0.1
195.08073	0.2
196.08826	0.1
197.09485	0.2
198.10255	0.0
199.07390	0.1
199.11183	0.1
200.08357	0.4
201.09006	0.2
202.21664	0.1
203.10625	0.1
209.09734	0.1
213.09068	2.7
213.12418	0.1
214.09802	0.5
215.14371	0.1
227.10594	0.7
227.14288	0.1
228.11221	0.1
240.26826	0.5
241.12070	0.1
241.15945	0.1
253.15814	0.1
255.13731	0.3
255.17325	0.1
255.21245	0.1
256.14493	0.1
258.27881	1.0
265.14871	0.1
268.14240	0.1
269.15268	0.2
270.16135	0.8
271.16888	0.3
273.18393	0.1
283.16565	0.3
283.20465	0.1
284.29434	6.8
286.15408	0.1
300.32294	0.1
301.08481	0.6
301.17944	9.4
302.30472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2157
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
51.76608	0.2
54.71666	0.2
55.05505	3.1
67.05489	0.4
69.06713	0.2
69.07062	3.1
69.59294	0.9
81.07040	1.2
83.08617	1.7
92.51110	0.3
95.08572	0.6
98.23389	0.3
107.04926	0.9
107.09233	0.3
109.10131	0.3
115.05424	0.2
121.02819	0.6
121.06493	0.3
123.11687	3.1
131.08557	0.3
133.06447	0.7
143.08533	0.3
145.06442	1.7
147.08032	2.3
149.09563	0.4
157.06422	1.5
157.10048	0.2
159.08026	1.3
161.05991	0.4
161.09602	1.1
163.07513	7.7
163.11237	0.5
164.07846	0.3
171.08026	5.7
171.74142	0.2
172.08485	0.3
173.09596	1.5
175.07509	0.5
175.11075	0.6
183.07935	0.3
184.26888	0.2
185.09554	2.7
187.07552	0.3
187.11101	0.7
189.08960	0.5
189.12692	0.6
191.10585	0.6
198.10384	0.4
199.11133	1.7
201.12724	0.7
203.10667	0.9
205.12207	3.4
213.12721	5.6
215.10747	0.3
215.14212	0.8
217.12187	0.4
227.14233	1.2
241.15875	0.7
256.14554	1.0
259.16898	5.7
271.16946	1.7
283.20410	0.4
301.18094	7.7
301.21542	100.0
302.18518	0.5
302.21884	6.1
302.30313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
53.03934	2.3
55.01868	1.5
55.05512	17.3
57.03447	1.6
65.03938	1.2
67.05497	11.5
69.03407	3.6
69.07059	8.0
70.66752	1.9
79.05486	17.2
81.03410	2.6
81.07056	53.6
83.04985	3.0
83.08612	5.0
85.02908	2.1
91.05473	13.8
93.07045	32.6
95.04982	6.9
95.08604	24.1
97.06516	4.7
99.08050	3.0
103.05473	2.5
105.04536	2.4
105.07030	19.5
107.04967	1.3
107.08595	20.3
109.06522	13.9
109.10149	11.9
111.08073	2.9
117.07014	3.7
119.08569	22.1
121.06499	6.8
121.10140	12.8
123.08046	3.7
123.11695	6.9
123.13096	1.4
125.09608	1.9
128.06262	1.6
129.06987	2.6
131.08577	11.1
133.10123	17.4
135.08023	6.1
135.11690	7.2
137.09618	2.1
139.07449	2.7
142.07768	4.3
143.08537	10.7
144.09290	3.0
145.06430	1.7
145.10124	18.4
147.08046	6.1
147.11673	11.9
149.05988	2.5
149.09599	7.6
149.13239	4.3
151.11156	4.0
153.06897	2.0
155.08553	2.8
156.09340	3.4
157.10133	14.3
158.10815	1.5
158.67018	1.4
159.08070	3.6
159.11673	20.7
161.09612	9.5
161.13252	13.1
163.03899	2.3
163.11165	3.7
163.14799	2.7
167.08546	4.0
169.10092	5.1
170.10944	1.9
171.08072	2.0
171.11685	13.9
173.09619	3.8
173.13234	16.5
175.11150	6.6
175.14838	11.4
177.05476	3.4
177.12730	6.0
179.08469	1.9
181.06503	2.8
181.10077	3.4
183.08057	1.7
183.11699	4.9
185.09622	4.0
185.13297	11.3
187.11124	4.3
187.14801	8.8
189.12691	10.2
189.16360	1.6
191.14296	3.8
193.10117	1.7
195.08017	4.9
195.11734	4.4
197.13240	6.0
199.11107	2.7
199.14769	8.9
201.12720	3.1
201.16316	3.1
203.14301	14.8
204.09329	3.7
204.15024	2.2
205.15793	2.4
209.09590	2.7
209.13220	3.5
211.07657	2.4
211.14786	4.1
212.08263	1.5
213.09145	9.3
213.12717	5.7
213.16351	3.2
215.14342	14.4
217.15897	7.9
219.11678	3.0
219.13702	1.7
221.09502	1.9
221.15250	2.2
222.10355	2.1
223.07614	1.8
223.11142	5.7
223.14798	2.4
225.09056	1.6
225.16415	3.2
227.10641	3.8
227.14255	7.3
227.17918	3.7
228.15073	1.8
229.15926	2.9
231.13750	1.3
237.12750	3.8
238.31917	1.4
239.10661	3.1
239.17883	2.7
240.11427	4.4
241.11948	2.7
241.15805	3.3
243.17323	2.5
245.15208	1.6
246.16002	1.4
247.11137	3.2
253.19341	3.2
255.10173	4.5
255.13611	2.8
255.21107	8.3
257.18799	2.3
264.33505	1.5
265.12204	4.4
265.19470	2.5
271.17050	1.6
271.20547	9.9
273.22049	5.6
283.13348	20.6
283.20526	23.3
301.03531	1.4
301.06995	2.0
301.10797	2.2
301.14719	13.0
301.18060	9.8
301.21567	100.0
302.10336	2.6
302.21924	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	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17172	1.8
53.03961	1.9
55.01867	2.0
57.03426	4.3
60.04535	2.1
61.02918	4.3
67.05498	41.0
69.03426	19.1
69.07073	9.8
70.06594	4.1
72.08151	2.8
73.02912	3.4
81.03410	5.9
84.04501	22.8
84.08144	4.2
85.02898	49.8
85.03408	2.7
86.09704	22.6
86.84013	1.8
87.69296	1.6
91.05516	2.1
95.04964	59.4
97.02888	39.1
101.07141	3.4
103.03944	6.0
109.02864	11.0
112.07594	34.8
113.05997	4.1
116.37048	1.6
116.98600	1.9
121.06483	2.7
122.06834	2.1
124.07558	2.5
127.03923	10.9
128.10733	11.2
130.04991	29.6
132.49384	1.6
134.06000	2.1
136.07590	5.9
140.07056	100.0
141.07439	2.4
145.04941	4.5
147.04414	2.3
147.07642	30.2
154.08623	7.6
165.13306	2.0
178.08617	2.3
182.08125	68.3
206.08107	15.0
230.55928	1.8
248.09125	9.5
269.65552	2.0
285.03824	2.7
302.12820	35.1
303.04941	3.2
303.14053	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.175
Annotation	O-Methylmaritidine
Peak:m/z	Relative Intensity
61.32611	0.4
64.13260	0.5
67.05492	0.8
79.05480	0.8
81.07021	0.6
91.05470	1.9
93.07044	0.7
96.08105	1.4
98.23569	0.7
105.07015	1.6
106.85049	0.4
109.10172	0.6
110.09895	0.5
115.05452	0.9
117.07010	13.5
119.04893	0.4
119.08566	8.5
120.63907	0.5
124.07588	0.9
128.06261	0.6
129.07024	0.6
130.07784	0.9
131.08609	1.1
133.06487	0.6
133.39360	0.5
143.08560	4.3
145.06491	2.6
145.08940	0.9
145.10083	6.4
147.08034	2.7
153.01907	0.5
153.07040	0.6
155.08524	5.2
157.10092	0.9
159.07996	0.7
160.11182	1.1
166.05006	0.6
167.08551	0.5
169.10086	0.9
173.05981	5.1
173.09605	1.0
179.08521	0.8
181.10019	0.8
182.10884	0.9
183.11601	1.0
185.09595	0.5
188.10710	2.4
192.09386	0.9
197.13196	2.9
198.09042	0.6
200.10741	0.7
201.07710	0.6
201.36369	0.5
207.11638	1.4
214.15868	0.6
216.10175	78.0
217.10417	2.7
225.12650	2.4
227.14279	1.4
242.15395	0.6
253.12186	4.2
270.14850	33.7
271.15186	1.7
285.12341	0.5
302.17465	100.0
303.05005	1.3
303.17831	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	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14937	0.4
56.96574	0.7
57.54347	0.4
58.27581	0.3
65.14007	0.3
67.30576	0.3
69.50159	1.3
96.52680	0.3
98.22746	0.7
98.97583	3.7
101.00911	2.2
102.00934	0.4
102.96836	0.6
116.98604	1.9
119.01916	6.7
120.01986	0.6
125.05464	0.4
125.47939	0.4
134.99699	0.9
137.02904	1.2
137.80048	0.3
143.11916	0.4
147.67551	0.3
158.99904	1.6
175.03008	0.5
177.00938	12.1
178.01024	3.0
179.00700	1.0
182.99860	0.6
201.00931	2.1
217.04063	2.2
218.03947	0.8
219.01990	21.8
220.02112	5.9
221.01793	2.4
225.00867	1.9
226.01180	0.7
243.01981	9.7
244.02100	3.0
245.01599	0.5
258.99756	0.5
261.03033	100.0
262.03183	28.4
263.02899	6.1
278.97763	0.4
279.00665	2.2
283.00000	0.7
284.04584	0.8
284.99866	3.3
285.04651	1.2
301.00919	0.8
302.97455	0.7
303.00845	4.3
303.05936	4.2
304.05194	1.2
320.98135	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83928	0.4
53.93590	0.4
65.71159	0.4
69.58655	0.4
69.60828	0.9
69.61212	1.5
79.17239	0.4
82.99847	0.5
98.22704	0.6
98.97585	1.5
99.99310	0.5
101.00863	2.7
104.35532	0.5
116.98607	1.1
119.01908	7.7
120.01940	1.1
134.99689	0.7
137.02919	1.2
158.99872	1.6
177.00932	17.2
178.01057	3.9
179.00696	2.6
190.36070	0.4
201.00891	2.0
202.01138	0.8
210.06107	0.9
214.68326	0.6
214.96494	2.9
217.04117	2.4
218.04024	0.8
219.01991	27.0
220.02100	7.3
221.01717	4.1
225.00922	1.9
226.01227	0.6
234.99936	0.8
236.99803	1.1
243.01947	10.8
243.04410	0.7
244.02063	3.0
245.01854	0.6
250.63834	0.6
256.97565	8.6
258.99936	0.8
261.03027	100.0
262.03156	31.3
263.02884	6.8
277.00815	0.7
279.00739	1.5
281.02585	0.5
282.99899	1.6
284.04553	1.4
284.99741	6.5
285.04504	0.7
297.97388	0.5
298.98602	6.0
301.01019	2.8
302.01187	0.6
302.97305	0.8
303.00766	8.4
303.05707	4.2
304.00897	0.7
314.96298	0.5
320.97787	1.6
321.01920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49746	0.2
53.03942	0.2
55.01854	0.3
58.46949	0.2
65.03928	0.7
65.76056	0.2
67.01852	0.5
67.05491	0.5
68.99784	2.3
71.41580	0.2
79.05463	0.2
80.51943	0.2
81.03406	0.8
83.40658	0.2
91.05466	0.2
91.87190	0.2
93.03401	0.7
95.04958	1.1
95.08588	0.4
105.06966	0.2
107.04947	0.2
109.02867	1.1
111.00793	2.4
111.04430	0.2
115.05459	0.4
117.07052	0.3
121.02864	2.2
123.04423	1.0
127.03886	0.5
129.06995	0.3
131.04907	0.4
134.34908	0.2
135.04411	0.4
137.02333	7.7
137.03416	0.6
139.05345	0.2
143.04947	0.2
145.02835	0.3
145.06506	1.0
149.02309	0.7
150.94197	0.2
153.01807	11.0
154.02065	0.2
155.04840	1.0
159.04352	0.2
161.05962	0.9
163.03885	1.1
165.01830	3.8
166.02551	0.6
169.06400	0.3
173.05942	1.5
177.05490	0.6
179.03398	0.5
183.02861	1.7
183.04422	1.0
187.03899	0.8
187.14937	0.2
191.03430	0.4
194.02066	0.2
195.02930	0.6
201.05449	5.1
205.04932	0.5
211.03899	0.4
213.05470	0.3
215.03372	0.3
219.02841	0.4
219.06496	0.6
228.04160	0.6
229.04938	10.2
230.05315	0.4
232.03610	0.2
239.03398	0.6
245.04480	0.4
247.05907	1.2
257.04398	5.1
258.04889	0.3
263.48993	0.2
274.04688	1.6
275.05380	0.4
285.03906	2.4
303.04944	100.0
304.05310	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	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01862	0.4
59.72950	0.2
61.50631	0.1
65.03936	0.7
67.01844	0.5
67.05495	0.2
68.99786	2.4
69.03419	0.3
69.53038	0.2
69.53445	0.4
81.03413	0.8
93.03399	0.6
95.04983	0.8
97.02930	0.2
98.23415	0.3
105.03360	0.3
107.04954	0.2
109.02861	1.4
111.00800	2.0
111.04434	0.2
115.05426	0.3
117.06998	0.5
121.02871	2.3
123.04408	0.9
127.03913	0.5
131.04909	0.5
133.02843	0.2
135.04390	0.5
136.38930	0.1
137.02342	7.0
137.03447	0.6
138.07468	0.1
143.04890	0.2
145.02827	0.2
145.06499	0.8
149.02316	0.9
153.01816	10.3
154.02179	0.2
155.04895	1.1
155.06021	0.2
156.87173	0.1
157.06454	0.2
159.04378	0.2
161.05945	0.6
163.03912	1.4
165.01831	4.7
166.02612	0.5
173.05986	2.0
177.01852	0.2
177.05540	0.2
179.03415	0.4
183.02861	1.5
183.04404	1.3
185.05818	0.2
187.03883	0.8
191.03418	0.2
191.07040	0.2
195.02849	0.5
200.04692	0.2
201.05443	4.4
205.05009	0.5
207.02919	0.2
211.03958	0.4
213.05460	0.3
215.03473	0.2
219.02968	0.3
219.06671	0.7
228.04169	0.8
229.04947	10.2
230.05344	0.3
232.03751	0.2
239.03468	0.3
243.02783	0.2
245.04565	0.2
246.05217	0.2
247.06027	1.2
257.04413	5.6
258.05005	0.3
274.04663	1.4
275.05408	0.5
285.03879	2.1
286.04315	0.2
303.04962	100.0
304.05310	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.1
53.03932	0.1
53.89705	0.1
55.01856	0.4
65.03932	0.6
67.01860	0.3
67.05489	0.2
68.99422	0.2
68.99781	2.5
69.03413	0.2
71.03073	0.2
80.42004	0.1
81.03399	0.7
85.04156	0.1
91.60196	0.1
93.03398	0.8
95.04958	0.9
97.02874	0.1
99.01790	0.1
100.19599	0.1
103.05411	0.1
105.03380	0.2
105.07090	0.1
107.04954	0.2
109.02876	1.2
111.00789	2.1
111.04414	0.1
115.05431	0.3
117.07014	0.5
121.02859	2.2
123.04420	0.8
127.03923	0.4
131.04901	0.4
133.02835	0.2
133.06444	0.1
135.04422	0.7
136.01530	0.1
137.02332	8.3
137.03430	0.6
139.03947	0.1
143.04909	0.2
145.02823	0.2
145.06448	1.0
147.04375	0.1
149.02327	0.8
151.03896	0.1
153.01807	10.9
154.02119	0.2
154.71262	0.1
155.04904	1.1
155.06052	0.2
157.06448	0.2
159.04401	0.3
161.05954	0.7
163.03897	1.4
165.01819	4.1
166.02596	0.6
167.03271	0.1
171.02892	0.1
173.05962	1.3
177.01819	0.2
177.05464	0.2
179.03381	0.4
183.02855	1.5
183.04411	1.1
184.05151	0.1
187.03877	0.9
191.03383	0.3
191.07059	0.2
195.02928	0.5
198.65956	0.1
201.05434	4.4
202.05914	0.1
203.03323	0.2
205.04967	0.5
207.02872	0.2
211.03905	0.3
213.05443	0.3
215.03296	0.2
217.05112	0.1
219.02896	0.3
219.06471	0.5
228.04169	0.8
229.04933	9.6
230.05371	0.3
232.03719	0.2
233.04463	0.1
239.03427	0.5
245.04463	0.2
246.05161	0.2
247.05957	1.4
256.03787	0.1
257.04401	4.8
258.04904	0.3
259.14343	0.1
274.04724	1.4
275.05457	0.4
285.03906	2.6
286.04642	0.2
303.04938	100.0
304.05280	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	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03936	0.2
55.01870	0.4
57.47834	0.2
65.03952	0.8
67.01868	0.3
67.05510	0.3
68.99783	2.4
69.03424	0.3
71.42909	0.2
77.54462	0.2
81.03397	0.9
87.42573	0.2
93.03421	0.5
95.04952	1.1
105.03341	0.3
105.07040	0.4
107.04975	0.2
109.02883	1.2
110.65460	0.2
111.00800	2.0
115.05452	0.3
117.07009	0.4
121.02853	2.4
121.10133	0.2
122.38537	0.2
123.04392	0.9
127.03916	0.5
128.06282	0.2
131.04915	0.5
133.06540	0.2
135.04404	0.5
137.02338	8.1
137.03445	0.6
138.02602	0.2
145.06473	0.9
149.02341	0.9
153.01816	10.3
154.02164	0.3
155.04907	1.1
155.06015	0.3
161.05992	0.5
163.03879	1.2
165.01828	4.3
166.02597	0.7
173.05980	1.5
175.14882	0.2
177.01825	0.2
177.05508	0.2
179.03304	0.4
183.02864	1.6
183.04408	1.2
187.03897	0.7
191.03401	0.5
191.07028	0.3
195.02901	0.3
200.04715	0.2
201.05440	4.8
205.04961	0.5
207.02902	0.2
211.03894	0.4
219.02904	0.2
219.06544	0.6
228.04208	0.8
229.04936	8.9
230.05197	0.3
232.03708	0.2
233.04401	0.2
239.03409	0.4
245.04463	0.3
247.05988	1.1
257.04431	5.3
261.04190	0.2
271.09741	0.2
274.04657	1.5
275.05429	0.5
285.03906	2.2
286.04385	0.2
303.04959	100.0
304.05295	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81471	1.9
56.96559	41.4
98.97579	15.0
116.98622	8.5
132.08072	4.8
134.99643	7.8
174.02280	22.1
188.03857	8.1
192.03317	44.2
206.04880	16.8
210.04379	9.5
215.04868	23.3
217.06439	17.2
224.06055	4.2
233.05957	12.6
235.07515	13.3
243.04518	7.5
247.03943	3.3
257.94635	2.2
258.04404	2.3
260.51556	2.2
261.05466	100.0
276.05377	2.4
279.06503	69.1
284.06851	2.9
303.06390	3.5
303.19516	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	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89082	1.4
56.96560	2.3
69.95354	2.2
69.95695	2.8
83.06165	1.2
98.97549	6.1
113.62614	1.2
116.98627	2.5
119.01957	1.3
132.73979	1.2
141.05212	100.0
142.05602	1.5
175.30460	1.3
180.08870	1.4
185.04196	25.4
201.06151	1.8
219.02075	1.4
237.03067	1.9
251.62990	1.4
260.99966	1.3
261.03201	4.4
279.00671	2.1
303.10675	63.5
304.11060	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85830	1.3
54.92942	1.5
69.07072	2.0
69.16254	6.8
81.01553	1.5
81.07070	1.8
86.29671	1.3
92.45245	1.4
93.07039	2.0
98.22742	3.5
101.05988	1.4
101.12382	1.6
109.10189	1.9
166.09435	1.4
167.97185	1.5
241.09770	2.7
258.45972	2.0
271.14386	2.2
281.67593	1.5
302.29657	3.8
303.04788	3.0
303.09888	100.0
303.22925	1.7
304.10211	4.3
321.10959	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30042	1.1
56.96561	2.0
59.41080	1.2
61.67917	1.1
63.85630	1.1
69.50335	2.7
69.50733	2.1
74.59948	1.1
86.83431	1.1
98.97585	3.6
116.98628	2.3
119.01918	1.3
123.44452	1.2
141.05211	100.0
142.05655	1.7
184.96402	1.1
185.04187	29.0
186.04424	1.6
197.01266	1.2
216.61266	1.3
260.99561	1.2
261.03113	4.4
262.03201	1.8
303.10529	75.9
304.11060	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	8.5
65.76469	1.1
69.81328	2.2
69.81708	2.8
70.06598	1.3
73.02883	1.1
73.06547	1.3
81.03413	1.2
83.62027	1.2
85.02900	1.9
86.61304	0.9
87.64118	1.1
94.05017	1.0
98.23444	1.2
98.97580	3.2
116.98573	2.2
134.99586	1.3
174.02292	4.0
188.03796	1.5
192.03358	7.7
196.10014	2.8
197.10414	1.3
206.05006	2.7
206.08386	4.7
210.04367	1.6
211.12250	2.9
215.04918	4.2
217.06496	3.0
221.10736	2.8
223.08557	1.8
224.09454	2.7
227.08150	1.6
233.05904	1.3
235.07484	3.0
237.10187	1.7
238.11057	1.6
239.11813	6.3
243.04510	1.5
261.05435	16.8
267.11279	11.7
279.06580	11.0
285.12292	13.3
303.14084	100.0
304.14459	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	303.1953
Annotation	7-keto DHEA
Peak:m/z	Relative Intensity
55.01612	0.1
55.05495	0.4
67.02959	0.1
67.05499	0.6
69.03414	0.2
69.07067	0.6
70.55253	0.2
71.04962	0.1
73.39963	0.1
76.63830	0.1
79.05482	0.7
79.84821	0.1
81.07049	0.6
91.05473	0.9
93.07032	2.0
93.65350	0.1
95.04964	0.2
95.08595	0.9
105.07031	1.4
107.08598	0.9
109.06509	0.3
109.10132	0.6
111.08055	0.2
115.05417	0.1
117.06999	0.5
119.08562	1.4
121.06497	1.1
121.10130	2.5
123.11680	0.2
129.07024	0.2
131.08521	0.2
133.06544	0.1
133.10101	0.9
135.08037	4.4
135.11673	0.2
136.08846	1.2
137.05968	4.7
143.08534	0.3
145.06470	0.5
145.10126	0.5
147.08064	0.3
147.11681	0.6
149.05933	0.2
149.13271	0.2
151.07527	1.0
155.08553	0.3
156.09306	0.1
157.06502	0.2
157.10104	0.3
158.07248	0.1
159.08060	0.8
159.11662	0.3
160.08371	0.1
161.09602	0.4
161.13293	0.2
163.07536	2.7
164.08321	3.7
165.09187	0.6
169.10089	0.5
170.10878	0.3
171.08061	0.4
171.11592	0.3
173.09598	0.8
175.07523	0.5
175.11089	0.1
177.09088	0.9
179.10562	0.1
181.10063	0.1
182.37384	0.1
183.08160	0.2
183.11655	0.5
184.08867	0.2
185.09616	0.5
187.07507	0.6
187.11130	0.3
188.08273	0.1
189.09053	0.6
197.09596	0.4
197.13184	0.2
198.10304	0.2
199.11165	1.6
200.08281	0.2
201.09117	0.8
202.09842	1.2
203.10637	1.6
206.56946	0.1
207.11705	0.1
211.11160	0.2
212.11989	0.2
213.09079	0.2
213.12753	0.1
215.10623	1.5
216.11325	0.3
217.12292	0.2
225.12531	0.2
227.10698	0.7
228.15056	0.1
229.12206	0.3
242.13048	0.2
253.15831	0.3
255.13876	0.6
257.15332	1.2
269.15302	1.1
270.16040	0.4
271.16873	0.6
272.17575	0.3
285.18436	0.5
288.17242	0.2
303.19504	100.0
304.19861	4.8
317.87250	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.195
Annotation	7-keto DHEA
Peak:m/z	Relative Intensity
55.05508	0.6
55.31498	0.3
59.33798	0.3
64.01652	0.3
67.05499	0.4
68.71466	0.3
69.07038	0.8
79.05507	0.4
81.07043	0.6
81.11924	0.3
91.05499	0.5
93.07049	1.6
95.04964	0.3
95.08591	0.8
105.07011	1.2
107.08572	1.1
109.09220	0.4
109.10104	0.7
119.08572	1.4
121.06516	0.5
121.10139	1.9
129.07051	0.4
131.08575	0.5
133.10109	0.9
135.08055	3.1
135.11703	0.5
136.08832	0.9
137.05978	4.4
143.08556	0.5
143.26833	0.3
143.74318	0.3
145.06438	0.5
145.10146	0.5
147.08038	0.5
147.11635	0.5
151.07520	1.1
157.10130	0.3
159.08064	1.2
163.07545	2.6
164.08356	3.0
165.09161	0.9
169.10179	0.6
170.10741	0.4
171.08128	0.4
175.07523	0.6
177.09145	1.3
185.09621	0.5
187.07602	1.5
189.09163	0.8
199.11166	1.4
201.09247	0.9
202.09875	1.2
203.10646	4.5
211.11285	0.5
215.10571	2.3
216.11502	0.4
227.10751	0.9
229.12358	0.4
255.13823	1.1
257.15427	1.7
269.15344	0.9
271.16833	0.9
272.17630	2.2
273.18448	0.5
288.17386	0.3
303.19522	100.0
304.19876	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	303.1953
Annotation	12-Hydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial
Peak:m/z	Relative Intensity
55.05494	0.5
57.07054	0.3
59.89400	0.1
62.87294	0.2
67.05482	0.4
67.25184	0.1
69.07066	1.4
70.06574	0.5
70.67959	0.2
71.08582	0.2
79.05476	0.3
81.07042	1.2
83.08621	0.2
88.07603	0.6
91.05449	0.3
93.07007	0.5
93.84998	0.1
95.08568	0.6
97.10146	0.4
105.06995	0.4
106.08663	0.4
107.08564	0.5
109.10134	0.6
117.06960	0.2
119.08537	0.4
121.06490	1.0
121.10162	0.3
123.11680	0.5
129.06969	0.3
131.08553	0.4
133.10109	0.3
135.08086	0.2
137.05942	2.0
142.07780	0.2
143.08537	0.3
145.06483	0.7
145.10120	0.3
146.07188	0.2
147.08037	0.8
147.11714	0.2
149.05978	0.2
149.09590	0.2
149.13243	0.3
151.07524	1.2
155.08536	0.6
157.06451	0.3
157.10104	0.6
157.69406	0.2
159.08069	1.3
161.05975	0.4
161.09583	0.6
163.07535	1.7
169.10071	0.4
170.07205	0.2
170.10869	1.1
171.07979	0.3
171.11699	0.2
173.09583	1.0
175.07544	1.1
175.11153	0.5
176.08331	1.0
177.09091	1.5
180.07724	0.3
183.08014	0.3
183.11635	0.2
184.08708	0.2
185.09570	0.8
187.07521	8.0
187.11040	1.1
187.14671	0.2
188.08070	0.2
189.09094	3.5
190.09857	0.2
191.10736	0.3
197.09637	0.4
198.10310	0.4
199.11115	0.9
201.09067	0.9
202.09836	0.6
203.10649	27.0
204.11041	0.7
211.11115	0.3
215.10651	7.1
216.11269	1.2
217.12228	0.6
229.12187	1.6
244.48048	0.2
255.17375	0.5
257.15378	1.6
271.16898	0.9
272.17682	17.7
273.18369	3.0
285.18518	0.6
302.30484	1.9
303.19507	100.0
303.30750	2.0
304.19843	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1953
Annotation	12-Hydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial
Peak:m/z	Relative Intensity
55.05506	0.9
57.03428	0.2
57.07059	0.2
62.27715	0.2
66.81940	0.2
67.05492	0.4
68.62805	0.2
69.03417	0.2
69.07063	1.3
69.22362	1.0
79.05482	0.5
81.07040	0.8
83.01346	0.4
83.08617	0.4
91.05475	0.7
93.07038	0.6
95.08604	0.7
97.10167	0.5
101.26841	0.2
105.07005	0.9
107.08586	0.5
109.10130	0.9
113.06001	0.2
117.06972	0.2
119.08568	0.6
121.06490	1.2
121.10152	0.4
123.11687	0.3
129.07025	0.2
131.08542	0.4
133.10126	0.4
135.08060	0.4
137.05984	1.2
143.08577	0.2
145.06480	0.3
145.10062	0.5
147.08012	1.5
147.11699	0.3
149.05991	0.3
149.09642	0.4
151.07487	0.9
155.08562	0.4
157.10161	0.4
159.08047	1.2
159.11705	0.2
161.05986	0.3
161.09647	1.3
161.13257	0.4
162.06741	0.5
163.07510	1.4
169.10097	0.6
170.10852	1.4
171.08093	0.4
171.11681	0.2
173.09604	1.6
173.13277	0.4
174.06818	0.3
175.07512	1.4
175.11168	0.7
176.08298	1.3
177.09082	3.1
185.09602	0.3
186.10298	0.2
187.07523	6.9
187.11089	0.8
187.14793	0.3
188.08269	0.3
189.09065	3.3
190.09824	0.3
191.10663	0.6
198.10426	0.3
199.11183	0.6
201.09006	0.9
201.12764	0.3
202.09830	0.5
203.10645	20.7
204.11111	1.2
214.09700	0.2
215.10664	6.4
216.11333	1.4
217.12289	0.9
217.15871	1.3
229.12219	2.1
230.12909	0.4
231.17470	0.3
255.17409	0.7
257.15350	1.1
257.18933	0.2
271.16904	0.5
272.17676	14.3
273.18430	9.2
274.18732	0.5
285.18466	0.7
303.19501	100.0
304.19855	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	303.1949
Annotation	12-Hydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial
Peak:m/z	Relative Intensity
55.05495	0.5
57.03426	0.2
58.82911	0.2
67.05487	0.5
69.07062	1.6
70.09379	0.2
70.09702	0.3
79.05467	0.4
81.07058	1.3
83.08595	0.3
91.05470	0.5
93.07030	0.5
95.04951	0.2
95.08604	0.9
97.10157	0.8
97.54547	0.2
98.23355	0.2
98.96505	0.1
105.07018	0.6
107.08570	0.6
108.27925	0.1
109.10149	0.8
117.06984	0.3
119.08559	0.5
121.06471	0.7
121.10131	0.5
123.11694	0.6
128.06194	0.2
129.07021	0.3
131.08527	0.7
133.06454	0.2
133.10075	0.2
135.08022	0.4
135.16988	0.1
137.05963	2.5
141.07004	0.2
143.08557	0.4
145.06490	1.0
145.10104	0.4
147.08049	1.0
149.13222	0.3
151.07539	1.6
155.08539	0.7
157.06490	0.5
157.10071	0.6
158.07288	0.2
159.08037	1.5
159.11720	0.2
161.05980	0.4
161.09645	0.9
162.06708	0.2
163.07539	1.9
169.10123	0.4
170.07278	0.2
170.10870	1.2
171.08006	0.5
171.11652	0.3
173.09589	1.0
174.10240	0.3
175.07559	1.1
175.11162	0.6
176.08301	1.0
177.09093	1.1
180.07768	0.3
181.08510	0.2
183.08020	0.3
183.11661	0.3
185.09634	0.7
187.07520	8.7
187.11136	1.0
188.08095	0.5
189.09081	2.9
190.09801	0.4
191.10663	0.4
197.09634	0.5
198.10402	0.4
199.11118	1.0
201.09102	1.1
201.12759	0.4
202.09807	0.4
203.10648	27.0
204.10982	1.1
211.11162	0.2
215.10646	8.2
216.11386	1.2
217.12210	0.4
229.12213	1.9
255.17441	0.4
257.15359	1.3
271.16928	1.0
272.17670	17.2
273.18347	3.2
285.18472	0.6
303.19501	100.0
304.19846	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1953
Annotation	7-keto DHEA
Peak:m/z	Relative Intensity
55.01854	0.6
55.05490	0.5
67.05486	1.1
69.03412	0.7
69.07061	4.4
70.71242	0.4
79.05474	1.0
81.07063	1.4
83.04964	0.6
83.08586	0.7
85.06512	1.5
88.07619	0.6
91.05469	2.4
93.07036	2.3
95.08598	4.3
97.06516	1.0
105.07008	1.4
106.08636	0.3
107.08600	1.4
109.06511	0.8
109.10150	1.9
116.06236	0.5
119.08578	1.7
121.06505	0.9
121.10130	2.2
123.08032	0.3
129.06995	0.8
131.08548	2.9
135.08032	3.4
135.11649	0.6
137.05986	2.3
139.11151	2.1
145.06451	0.4
145.10060	0.7
147.08031	0.9
147.11705	1.0
149.09637	1.4
150.06819	0.3
151.07495	2.0
153.12715	1.8
159.08047	5.7
159.11702	0.4
161.09578	0.5
163.07509	1.2
165.09113	4.0
169.37460	0.3
173.09615	0.5
175.07440	0.3
175.11137	0.3
176.08330	0.5
177.09091	27.7
178.09428	0.8
187.07516	1.9
189.09108	0.7
191.10532	0.3
192.94209	0.3
201.08994	0.4
203.10651	5.5
215.10619	1.1
216.11371	0.3
229.12102	0.4
272.17642	4.3
273.18518	0.4
278.87283	0.3
285.18494	0.8
302.30386	1.5
303.19507	100.0
303.30685	2.1
304.19894	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	303.1952
Annotation	12-Hydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial
Peak:m/z	Relative Intensity
52.28688	0.3
57.07059	1.4
58.07383	0.4
62.12379	0.4
67.05465	0.7
69.07057	1.7
70.06581	1.6
81.07028	1.2
81.46488	0.3
85.31159	0.3
88.07626	3.1
91.05478	0.6
93.07038	0.7
95.08585	1.0
97.10165	0.5
102.09175	0.6
105.06974	0.7
106.08649	1.5
107.08556	0.4
119.08522	0.5
121.06501	0.7
123.11626	0.5
133.06491	0.4
137.05948	2.2
145.06476	0.9
147.08031	1.1
151.07533	1.2
155.08540	0.6
157.06522	0.5
157.10065	0.5
159.08041	1.3
161.09589	1.1
163.07527	1.2
170.10922	1.1
171.08102	0.7
171.11656	0.5
172.18298	0.4
173.09621	1.1
175.07553	0.7
175.11215	0.5
176.08310	0.9
177.09079	0.9
185.09627	0.6
187.05968	0.6
187.07530	8.6
187.11180	1.1
189.09105	3.3
190.09964	0.5
191.10667	0.4
198.10417	1.0
199.11105	0.8
201.09065	1.0
203.10652	28.0
204.11038	0.9
215.10651	7.6
216.11395	1.5
217.12068	0.5
229.12239	2.3
257.15350	1.3
271.17053	0.7
272.17676	14.8
272.20612	0.7
273.18384	2.9
284.29489	0.5
285.18549	0.4
285.29779	0.6
299.62253	0.4
302.30490	6.6
303.09998	8.0
303.19510	100.0
303.30814	8.8
304.19830	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1952
Annotation	Caribenol A
Peak:m/z	Relative Intensity
52.92804	0.4
55.05494	1.7
57.07074	6.4
58.07395	1.0
59.71140	0.4
62.06100	0.5
67.05494	0.8
69.07058	3.0
69.83862	1.4
70.06587	11.1
71.06910	1.3
71.08615	2.7
72.08935	0.7
79.05470	0.9
81.07053	4.4
83.08630	0.6
85.10168	0.9
88.07622	13.5
89.07922	2.2
91.05482	0.6
93.07027	0.9
95.08598	1.7
97.10149	0.6
102.09184	3.5
103.09489	0.5
105.07019	1.5
106.08661	5.9
106.58693	0.5
107.09057	0.5
109.10123	1.3
115.05411	0.4
119.08571	0.8
121.06476	2.5
123.11707	3.9
131.08510	0.6
133.06483	4.8
133.10135	0.5
135.08041	0.6
137.05981	5.6
143.08592	0.7
145.06473	1.0
145.10123	0.7
147.08034	0.7
151.07471	2.2
155.08545	0.8
157.10139	0.6
159.08067	1.8
161.04695	0.9
161.05965	11.4
162.06255	0.5
163.07550	1.2
165.05476	0.9
169.10120	1.3
170.10892	0.7
173.09583	1.2
175.07556	0.8
176.08240	0.5
177.05524	0.5
177.09099	4.1
179.06979	3.1
185.09671	0.6
187.07498	4.4
187.11194	0.8
189.09074	2.2
191.14345	0.7
197.09636	2.0
199.11180	0.8
201.09081	0.6
203.10657	10.3
208.26025	0.5
211.11192	0.8
215.10614	3.8
217.12248	0.6
229.12192	1.4
257.15283	0.5
265.28879	0.5
272.17685	6.3
273.18372	1.0
275.20059	0.5
284.29514	2.0
285.18552	1.2
285.29794	2.9
302.30499	37.1
303.09933	13.8
303.19507	100.0
303.30832	48.5
304.10184	0.8
304.19916	4.0
304.31155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31044	0.3
52.72470	0.3
55.05500	0.7
67.05476	0.6
69.07064	3.0
70.04331	0.7
70.04690	0.6
70.06572	0.3
72.12017	0.4
79.05471	0.8
81.07043	1.4
85.06550	0.7
88.07645	0.4
91.05480	1.2
93.07012	1.4
95.08593	2.7
97.06499	0.6
97.10169	0.4
98.22711	0.3
105.07037	0.9
107.08580	1.4
109.06516	0.3
109.10166	1.1
110.77483	0.3
117.07018	0.4
119.08574	0.9
121.06484	0.9
121.10112	1.3
129.06935	0.4
131.08572	1.6
133.10103	0.3
135.08040	4.0
137.05981	2.4
139.11142	0.8
145.06458	0.4
145.10184	0.3
147.08012	0.7
147.11676	0.9
149.09596	1.0
151.07538	1.3
153.12740	1.1
157.10205	0.4
159.08018	3.4
161.09608	0.6
163.07526	4.6
164.08252	0.3
165.09119	1.8
169.10056	0.3
170.10910	0.8
171.08032	0.4
173.09590	0.7
175.11206	0.7
176.08269	0.5
177.09094	15.9
178.09521	0.6
185.09555	0.4
187.07523	3.9
187.11017	0.3
189.09055	1.7
198.10490	0.4
199.11192	0.4
201.09105	0.7
203.10657	10.8
215.10645	2.8
216.11330	0.7
229.12206	1.2
257.15448	0.5
271.16815	0.4
272.17667	7.4
273.18256	1.5
274.36942	0.3
285.18451	1.1
302.30508	0.8
303.19504	100.0
303.30753	2.0
304.19818	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	303.1953
Annotation	2-Methoxy-17beta-estradiol
Peak:m/z	Relative Intensity
54.68908	1.1
55.05500	4.7
56.05023	1.2
57.07071	10.6
58.06591	4.7
58.07401	1.4
67.05503	2.9
69.07063	11.2
69.18137	2.6
69.18538	5.8
70.06583	10.6
71.06925	2.1
71.08625	4.1
74.06075	2.2
79.05502	3.0
81.07047	8.4
83.08629	1.3
85.10171	1.4
87.85370	1.0
88.07071	1.6
88.07619	24.9
89.07919	2.6
91.05476	3.7
93.07037	4.8
95.04974	2.3
95.08588	6.4
97.06516	1.5
102.09171	3.9
105.07031	4.1
106.08652	6.8
107.08591	5.0
109.10149	4.6
115.68674	1.1
119.08592	5.6
121.10170	5.7
121.50655	0.9
123.11729	2.3
128.06238	1.2
131.08582	3.1
133.10121	2.7
135.11684	2.0
137.05965	2.6
141.06987	2.4
142.43936	1.1
143.08556	4.0
145.10164	2.1
147.08049	3.7
147.11659	2.9
149.09628	2.7
149.13249	2.1
154.07730	1.7
156.17424	3.1
157.10089	2.7
159.08061	2.3
159.11636	1.9
161.06023	1.8
161.13286	1.3
163.07506	3.7
163.11266	1.3
169.10136	2.7
171.08061	3.3
173.05948	6.7
175.07561	2.3
177.09105	2.8
179.06958	3.6
179.08502	1.9
182.15094	1.1
183.08072	3.4
185.09625	2.9
186.06764	1.6
186.18619	1.3
187.07494	6.6
187.11227	1.3
187.18719	1.3
188.08229	1.1
189.09120	9.8
195.07953	1.4
197.09607	4.8
199.11293	1.4
201.09082	2.9
203.10663	15.2
207.10231	6.6
211.11197	1.5
215.10660	37.6
216.11186	1.9
217.12105	1.2
225.12767	2.0
227.10672	2.0
229.12239	6.7
241.12321	2.0
242.13074	2.3
243.13818	3.2
254.28436	4.4
255.13808	5.9
255.17409	1.7
255.28796	3.4
257.15347	7.6
270.16183	4.8
272.17734	5.2
284.29318	2.9
285.18466	100.0
285.21432	3.6
285.29819	1.8
286.18811	5.2
290.29071	1.2
302.27139	1.6
302.30478	33.6
303.09906	35.1
303.19547	65.9
303.23132	6.6
303.27258	6.5
303.30777	47.3
304.10306	2.1
304.19745	1.9
304.28281	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.82674	2.6
55.05499	7.6
55.32982	2.9
57.07072	3.0
58.59119	2.6
59.41220	2.3
59.99831	2.2
61.13183	2.4
63.19355	2.3
67.05495	19.9
69.06949	6.0
69.07275	3.8
71.04958	3.3
76.18919	2.8
79.05493	22.4
81.07049	85.1
83.04965	5.4
83.08608	5.6
85.06522	4.5
91.05479	19.7
93.07043	45.2
95.04916	3.1
95.08599	53.7
95.17757	2.7
97.06508	3.9
97.10158	3.3
105.07024	28.3
107.08591	39.6
109.06517	11.7
109.10139	44.1
111.08089	6.4
114.95671	2.8
117.07018	7.6
119.08592	37.2
121.10126	34.0
123.08079	4.9
123.11692	20.4
125.09574	4.8
125.76614	2.3
129.07025	3.3
131.08542	13.8
133.10123	25.7
135.08038	2.9
135.11681	14.6
137.09615	25.3
139.11162	5.7
143.08539	9.0
145.10100	23.0
147.11678	37.5
149.09599	6.2
149.13280	9.0
151.11180	7.6
157.10115	12.2
159.11676	23.0
161.09578	3.4
161.13257	11.8
163.11211	9.6
165.12761	11.4
169.10101	5.5
171.11696	13.6
173.09619	4.1
173.13268	16.8
175.11182	5.0
175.14801	6.8
177.12793	6.2
177.65633	3.4
181.12247	2.9
182.10797	4.3
183.11636	4.6
185.13191	10.2
187.07397	2.7
187.14835	9.1
188.99672	2.8
189.16461	3.6
191.14294	8.5
197.13286	7.1
199.14853	9.1
201.16414	5.7
201.95042	2.5
203.10751	5.4
211.14813	7.7
213.16402	4.2
215.14217	2.9
217.15883	5.5
225.16302	3.6
227.17947	5.8
229.15804	4.7
241.19537	3.5
242.24538	4.7
245.19138	4.1
255.20863	3.5
257.22726	4.7
267.21140	20.1
273.22119	8.6
285.14923	4.5
285.18958	3.1
285.22052	54.2
286.22525	3.2
293.06070	2.8
303.09988	9.3
303.15823	14.8
303.19498	24.5
303.23163	100.0
304.23364	5.6
304.28519	7.5
318.81152	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1542
Annotation	Carinatine
Peak:m/z	Relative Intensity
54.17892	0.6
61.14302	0.6
70.72170	1.1
75.33381	0.6
79.05478	2.7
91.05466	1.2
96.08114	4.3
97.06555	0.9
105.03352	0.7
105.06971	1.0
107.04955	2.6
114.09146	1.2
115.05447	2.0
117.07011	7.2
129.06984	1.5
138.40277	0.7
141.06993	1.4
143.08566	1.8
145.06465	8.5
147.08029	1.3
148.08333	1.1
153.06918	0.7
155.08577	1.3
159.08026	0.9
164.56921	0.6
165.06912	1.0
169.06458	0.7
169.10112	0.8
171.04424	3.9
171.08087	3.9
173.05994	1.2
179.08513	1.8
181.10074	0.8
183.07985	1.3
186.09152	2.1
189.05455	2.7
192.09276	1.2
195.11638	1.4
197.05969	2.9
197.09619	0.8
197.13290	1.3
205.10133	1.7
207.11620	1.8
214.08620	26.1
215.08873	0.8
223.11122	2.1
225.12793	1.2
251.10568	0.8
268.13315	17.5
269.13309	0.7
286.14343	100.0
287.14703	4.9
303.51422	0.6
304.15500	8.9
304.19186	1.4
305.10233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
57.03418	0.4
57.07067	1.0
69.07061	1.0
69.24218	1.5
69.24627	0.6
70.06577	1.0
70.07394	0.5
81.07019	0.4
88.07616	3.1
93.07024	0.6
95.08633	0.4
97.10197	0.4
105.07029	0.8
109.10062	0.4
114.88306	0.4
119.08617	0.4
121.06580	0.5
122.06828	0.4
131.08510	0.5
137.05969	0.9
138.06293	0.5
147.08084	0.7
148.08356	0.5
150.06668	0.4
150.11252	1.2
151.07574	0.7
152.07930	0.6
159.08006	0.5
160.08391	1.0
161.09550	0.7
162.09940	0.6
163.07498	0.8
170.10866	0.6
171.11249	0.8
175.07443	0.5
176.07973	1.4
176.27475	0.3
177.08951	1.8
178.09438	2.3
187.07541	1.9
187.11194	0.7
188.07863	3.8
188.11502	0.6
189.09039	1.1
190.09445	1.6
191.10341	0.5
192.11023	0.5
199.10779	0.5
200.11479	0.4
202.09430	0.7
203.10643	6.6
204.10992	13.4
205.11650	0.5
215.10632	1.5
216.11018	5.0
217.11798	1.0
217.13872	0.4
218.10027	0.3
218.12599	0.9
218.16223	0.8
225.58084	0.3
229.12213	0.5
230.12563	1.4
256.17792	0.5
258.15714	0.7
272.17569	1.1
273.18018	14.4
274.18777	7.7
288.50201	0.4
304.19849	100.0
304.28439	3.1
305.04865	0.4
305.07947	3.0
305.20343	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
56.05033	13.4
56.48928	0.6
57.07072	9.5
58.06599	5.7
60.04514	2.3
64.44706	0.5
68.05024	0.9
69.07072	0.8
70.71950	0.8
71.08629	4.2
72.10117	0.5
72.53374	0.5
74.06078	11.6
85.02915	0.5
85.10178	1.3
86.06065	1.3
88.07625	40.8
89.07983	0.5
104.07095	1.4
106.05915	0.4
112.66652	0.5
118.08650	7.9
122.08138	6.9
123.11696	0.6
139.11084	0.6
159.08095	0.7
170.85715	0.5
178.09438	0.9
187.07504	1.4
188.08167	1.0
194.68456	0.5
203.10603	0.6
204.11053	2.2
216.11179	0.6
229.12167	2.6
256.26331	35.4
257.26721	1.2
273.18082	2.0
286.27325	2.2
304.19894	20.2
304.28427	100.0
305.11447	17.9
305.20279	0.5
305.28784	5.1
308.01932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18611	1.3
56.96563	100.0
65.21560	1.4
70.98119	36.8
71.95251	2.8
74.97595	3.1
81.04535	3.0
84.96022	2.5
85.02919	2.6
88.99151	15.6
95.06133	1.8
98.97577	81.1
101.00849	2.6
107.00206	3.6
110.97582	3.1
112.99099	2.6
115.00700	4.6
116.98611	51.2
119.01909	4.6
124.95457	8.9
125.07079	5.0
128.98572	3.6
131.00204	7.2
131.01854	4.2
133.01735	6.0
134.99655	34.0
140.98601	2.4
142.96532	17.6
143.00183	2.5
143.01906	2.8
143.08136	17.1
144.98116	3.0
145.01706	5.6
146.99657	6.0
149.01225	2.9
151.02815	1.8
152.94974	3.0
153.00702	3.9
155.01900	5.3
156.98041	1.6
158.99626	7.9
160.97578	12.8
161.01189	2.2
161.03014	2.2
163.02667	1.6
165.00745	5.8
170.96010	11.7
172.94336	3.4
172.97577	6.3
173.01364	1.8
173.02968	6.8
174.99092	7.4
177.00716	6.1
177.05688	1.7
178.98643	1.8
184.97533	7.9
185.02971	2.6
186.99196	4.4
188.97055	42.8
189.00624	8.4
190.95392	5.1
190.98630	17.3
191.02251	6.3
193.00169	10.9
201.00642	2.5
202.98621	25.2
205.00237	12.6
206.98117	27.1
207.01665	7.2
208.96429	2.4
208.99696	4.2
209.03247	2.0
212.97060	2.7
214.98727	3.6
217.00172	5.6
220.99702	17.7
223.01279	6.5
224.01781	2.5
230.98117	38.3
232.96468	5.1
232.99680	9.5
235.01282	7.3
239.00793	4.2
244.99690	7.1
245.05054	6.7
248.99202	20.0
250.97450	3.4
251.90921	1.7
259.16135	1.8
263.00684	26.3
263.02899	2.4
267.00500	1.6
275.86292	1.5
281.01834	12.2
299.02795	2.0
304.93063	2.6
305.06503	2.2
319.50424	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
53.03939	0.6
55.01862	0.7
56.96561	0.9
65.03915	0.2
66.53181	0.1
67.05493	0.2
68.99776	0.8
69.03419	0.2
71.01337	0.3
71.41644	0.1
79.05440	0.1
81.03412	4.3
85.02886	0.6
89.03914	0.2
91.05492	0.1
95.04951	0.3
95.18920	0.1
97.02900	0.3
99.04455	0.4
107.01319	0.7
107.04966	0.1
109.02869	1.3
111.00835	0.3
111.04428	0.8
117.03416	0.2
121.02859	0.7
123.04389	0.9
125.02351	0.2
126.01057	3.2
127.03905	3.4
131.04948	0.2
133.02866	0.2
135.04411	0.3
136.58267	0.2
137.02341	100.0
137.03429	10.4
138.02647	1.7
139.03889	6.0
139.04961	0.3
140.00226	0.3
142.90662	0.1
144.02100	2.3
147.04388	0.7
149.02354	0.4
151.03889	0.7
153.01852	0.6
158.01291	0.7
161.02333	0.4
167.03413	0.2
175.03951	0.7
176.02318	0.2
177.01854	1.2
177.05397	0.2
179.03381	3.4
185.06071	0.2
186.80467	0.1
193.04901	0.2
195.02832	1.0
198.77078	0.2
203.03351	2.6
204.01837	0.6
213.05452	0.3
217.04984	0.2
221.04451	0.5
222.02930	0.4
230.03537	0.2
231.06458	0.3
245.04422	0.4
259.06122	0.4
269.04431	0.1
287.05478	2.5
305.06549	2.5
305.30914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03939	1.5
55.01878	1.5
60.95834	1.0
65.03945	3.1
67.01864	2.9
67.05502	2.1
68.99796	4.6
69.03447	5.1
70.06620	1.1
77.03919	1.5
79.05509	1.0
81.03408	5.0
84.04514	1.6
86.09709	2.6
89.03913	1.8
95.04932	4.9
97.02930	1.4
105.03386	3.2
107.04990	1.7
109.02883	3.5
111.00828	1.2
111.04458	6.6
113.03452	0.9
121.02848	14.8
123.04423	76.7
127.03921	6.5
130.06525	17.2
133.02882	3.7
135.04439	4.1
137.02350	59.3
137.03459	7.2
138.02699	1.3
139.03868	8.4
147.04413	3.5
148.06046	2.3
149.02330	72.3
150.03093	2.0
151.03893	2.9
153.01819	100.0
154.02185	1.7
156.07700	1.2
157.06476	6.1
161.02309	6.3
161.05991	1.8
163.03900	3.7
163.07571	1.5
164.04291	1.6
167.03394	11.0
167.04706	1.7
171.02983	1.8
171.04367	1.4
175.07590	3.2
179.03387	4.8
185.05914	8.4
189.05383	1.1
193.09094	1.1
195.02885	17.4
199.08749	1.2
203.03429	2.8
203.06775	1.4
203.08464	1.6
213.05409	12.0
231.06499	45.3
232.06880	1.6
241.04939	7.6
241.09790	4.3
245.08104	1.3
258.05237	2.6
259.06000	55.9
260.06357	2.5
287.05536	20.0
287.09094	1.5
305.06781	9.8
305.11157	5.3
305.14917	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
56.96558	39.6
57.45026	0.8
60.87648	0.8
64.54150	1.0
74.97591	2.1
75.11599	1.0
81.03409	3.5
84.44550	0.8
85.02900	0.9
98.97557	1.5
102.99285	0.9
115.00709	2.3
121.02853	1.0
124.00696	8.9
126.03741	1.3
127.03931	3.0
130.93303	1.2
133.01733	1.6
137.02338	70.7
137.03435	8.6
138.02693	1.8
139.01752	2.8
139.03885	4.1
140.00162	2.8
141.03374	1.0
142.01746	69.5
143.08170	1.0
144.04764	5.0
146.91811	1.2
149.90765	1.0
157.02870	1.7
158.01253	3.2
160.02803	99.8
172.94292	2.0
177.02132	2.2
178.03853	24.4
179.03412	1.7
181.01772	0.9
182.88568	1.1
190.95398	4.0
192.03322	9.5
194.04877	6.8
195.03171	3.1
201.04308	1.1
203.03380	4.7
208.96550	1.6
210.04362	5.7
212.05879	7.6
213.04282	1.5
221.04504	1.6
221.33762	0.9
232.96466	3.7
244.06297	1.5
248.05927	15.8
250.97464	2.4
254.06905	1.1
259.07651	7.2
261.08975	4.1
262.07513	10.1
262.93802	1.0
266.07007	12.6
277.08575	2.3
279.10120	7.0
280.08530	1.5
280.94882	1.4
287.06992	1.1
305.08084	59.2
306.08203	1.6
323.09103	100.0
324.09412	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18061	2.1
56.61531	2.6
57.07068	3.0
59.79450	2.3
69.07052	3.0
69.82747	6.3
79.05480	2.4
88.07614	4.8
91.05479	9.1
98.22783	3.0
107.04930	2.6
118.89725	2.9
127.39466	2.1
187.07643	2.4
188.07890	5.8
194.11760	7.5
203.10666	6.8
204.10994	18.5
205.11279	11.9
216.10960	4.5
217.11304	4.5
250.18080	9.7
273.18063	8.7
274.18430	13.3
275.18945	2.9
297.46997	2.5
304.19846	54.2
304.31094	13.8
305.11456	100.0
305.20142	82.2
305.30930	2.1
306.11563	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
59.85713	0.3
67.05496	0.9
69.46726	1.0
72.11847	0.3
77.03929	0.7
79.05489	0.8
81.03453	0.3
81.07041	1.0
91.05473	3.5
93.05772	0.5
93.07037	2.6
93.82832	0.3
94.06564	0.7
95.04962	2.2
95.08563	0.4
96.08126	0.9
105.04520	1.0
106.05907	0.3
108.04457	0.3
108.08110	1.4
122.06016	3.6
124.07578	10.2
124.30225	0.2
125.07883	0.3
126.05501	1.2
136.07561	100.0
137.02336	2.7
137.07935	2.1
138.09149	0.4
140.07050	1.1
150.05479	0.5
152.07056	17.2
153.07333	0.4
164.07048	72.9
165.07390	1.9
170.08147	3.4
182.08116	12.1
251.20003	0.3
287.13928	3.1
305.04602	0.4
305.14920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
54.99084	0.3
55.31969	0.3
55.82576	0.3
65.89471	0.3
67.05482	1.0
69.87098	0.9
77.03938	1.1
79.05482	0.6
81.07066	1.6
88.63071	0.3
91.05453	3.1
93.07039	2.3
94.06552	0.6
95.04972	1.7
96.08128	0.7
105.04465	0.5
108.04484	0.4
108.08136	1.5
122.06039	2.4
124.07579	9.6
126.05514	1.4
136.07567	100.0
137.02356	0.9
137.07922	2.6
138.09154	0.8
140.07025	0.9
140.13504	0.3
150.05556	0.4
152.07050	20.8
152.73308	0.3
153.07379	0.5
164.07054	78.0
165.07410	2.0
170.08133	5.0
182.08118	16.6
196.14886	0.4
198.27191	0.3
225.98672	0.3
287.13904	2.8
305.05392	0.9
305.14957	1.3
314.55951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1508
Annotation	Mepiprazole
Peak:m/z	Relative Intensity
69.35223	1.3
69.35643	1.1
100.35138	0.5
102.43712	0.5
305.15073	100.0
306.15405	7.4
323.16141	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.4
57.03431	20.3
57.07067	6.4
58.07407	5.1
67.05507	12.1
67.31620	2.1
68.79096	2.6
69.03424	6.6
69.07042	3.2
69.32394	2.3
70.06593	8.2
70.86504	3.7
71.04984	6.4
71.06917	3.2
71.08640	2.8
72.05305	2.9
73.06555	2.8
75.22032	2.4
79.05490	12.1
81.07047	17.3
83.04962	6.1
83.13565	2.2
88.07597	11.4
89.07944	7.4
91.05486	18.8
93.07051	20.1
95.04961	23.6
95.08595	11.2
97.06519	5.0
97.10104	2.7
99.08080	3.3
102.09179	2.5
105.07021	33.5
107.08550	17.6
108.09103	2.6
109.06503	7.3
109.10148	12.1
111.08132	3.1
115.05431	4.2
116.06181	2.9
117.07004	15.1
119.04893	2.9
119.08572	19.5
121.06480	6.2
121.10128	11.3
123.08048	6.6
123.11713	2.9
128.06219	7.1
129.06996	11.2
130.07770	10.4
131.08554	19.5
133.06468	4.6
133.10107	8.9
135.08058	10.6
135.11673	6.3
137.05949	19.8
141.06996	4.0
142.07761	9.5
143.08571	22.8
145.06444	4.4
145.10114	100.0
147.08023	8.2
147.11694	7.2
149.09613	5.2
151.07524	7.0
155.08557	5.5
156.09274	5.5
157.10124	14.8
159.08095	5.9
159.11667	8.1
161.09656	15.4
161.13304	4.2
163.11102	3.5
165.06999	3.5
169.10143	5.7
170.10870	3.3
171.11678	7.7
173.09604	30.4
173.13280	2.5
174.10411	4.2
175.11192	4.5
175.14839	5.7
179.19106	2.8
185.13301	14.2
187.11133	4.7
189.12740	5.8
191.10655	9.6
195.11679	6.8
198.10365	3.1
201.16331	3.0
203.14340	17.2
207.57034	2.8
213.12715	19.5
231.13792	39.6
249.14836	8.5
286.30154	3.1
304.31128	73.5
305.17398	13.7
305.20520	6.5
305.24792	4.4
305.28180	4.1
305.31543	20.4
321.04291	2.6
329.31229	2.6
329.95050	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	juniperonic acid
Peak:m/z	Relative Intensity
53.03941	1.4
55.05502	5.9
57.07058	0.9
67.05501	20.1
69.07069	6.7
69.76824	2.8
77.24765	0.8
79.05485	7.8
81.07049	52.8
82.07385	1.8
83.04987	1.0
83.08628	2.5
91.05465	4.9
91.37727	0.9
93.07036	32.7
95.04974	1.5
95.08598	100.0
96.08968	2.4
98.22751	1.9
105.07028	12.1
107.08585	17.5
109.10146	27.4
111.11733	1.4
119.08558	6.6
121.10133	54.9
122.10490	1.2
123.08083	1.7
123.11697	19.4
133.10103	3.5
135.11688	7.5
137.09578	1.3
137.13239	3.3
139.11166	7.9
145.10123	3.1
147.11681	5.1
149.13237	5.2
151.11191	2.5
151.14777	0.9
155.10753	1.0
159.11656	3.0
161.13271	1.6
163.11159	3.4
163.14796	4.9
165.12737	1.8
173.13206	2.0
175.14798	2.8
177.16405	3.4
181.12195	5.5
191.14296	1.9
193.15889	2.7
199.14888	1.2
204.11034	2.5
205.11356	2.3
213.16408	2.9
215.18066	0.9
229.19499	1.8
269.22644	9.1
274.18375	3.1
287.23669	11.3
305.11505	6.0
305.20197	21.4
305.24710	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	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07052	1.3
69.90968	0.4
69.91291	0.8
79.05482	0.8
81.07046	0.8
83.04954	0.3
87.67931	0.4
91.05480	0.6
93.06991	0.5
94.04183	2.5
97.06506	0.4
97.86069	0.4
107.08593	0.5
109.06499	0.3
109.10149	0.7
114.09119	0.4
114.47348	0.4
122.02801	0.7
122.03638	7.6
126.09145	0.4
133.10138	0.6
135.11711	1.1
137.05960	100.0
138.06287	2.1
144.05008	0.5
153.12732	0.7
153.31897	0.4
164.14096	0.3
170.15364	2.1
182.15367	2.4
194.89505	0.4
208.61824	0.4
214.29639	0.4
306.20465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97471	0.7
56.96546	3.3
58.99847	0.8
70.99834	1.0
71.42010	0.7
82.99872	2.3
84.08147	0.9
85.02907	0.8
97.01376	1.2
98.97591	3.9
101.00871	27.4
101.83998	0.6
105.00345	1.0
110.97540	1.1
113.00866	1.6
115.02422	13.6
116.98624	3.0
117.04005	1.0
119.01912	100.0
120.02039	3.0
121.01652	0.8
126.98763	1.0
128.98683	1.0
129.03961	4.3
131.01904	5.8
133.01749	0.7
133.03459	16.7
134.03600	1.5
134.99631	1.1
135.04994	1.3
136.94090	0.8
137.02950	20.4
138.02998	0.9
142.03506	1.0
143.01892	6.4
144.99803	3.5
145.03455	3.3
147.01370	1.0
147.05013	4.6
149.02948	2.4
151.04514	1.7
155.02013	1.1
157.03458	1.6
159.01407	2.3
161.01619	1.0
161.02954	15.6
161.04234	1.1
162.03104	1.3
163.02774	1.1
165.02397	0.7
167.01364	0.7
168.99805	11.5
171.01364	0.8
172.99272	0.9
173.02995	3.8
175.02759	1.7
175.04507	1.1
177.00974	1.1
177.02417	10.2
185.02985	1.4
187.00868	25.4
188.01062	1.3
189.02437	2.2
191.03954	3.4
191.51927	0.8
196.99295	6.2
199.00896	1.5
201.02498	1.5
205.01935	11.5
215.00354	34.8
216.00655	2.0
217.01932	3.5
219.01750	1.2
219.03522	9.8
219.05351	1.1
229.01889	15.1
233.01454	3.1
237.02682	0.9
237.04773	1.0
247.02971	56.8
248.03210	3.2
253.05168	0.7
261.02982	7.2
265.03964	12.1
266.04178	1.1
270.04553	1.1
283.04895	0.9
289.04010	6.9
307.05188	3.2
307.07953	38.8
308.08340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01299	0.7
69.54656	3.1
98.97556	1.9
101.00867	3.8
116.98596	1.3
119.01920	8.0
134.99794	0.9
137.02960	1.3
158.99893	1.9
175.85593	0.8
177.00943	14.7
183.01125	1.4
198.20105	0.8
201.00932	2.7
217.04001	4.0
219.01979	20.5
220.02153	2.0
225.00879	2.3
243.01968	9.2
244.02057	1.1
261.03036	100.0
262.03204	10.0
284.04709	2.3
325.02618	0.9
325.37585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51258	1.4
54.80815	1.3
58.31980	1.7
68.77196	1.3
69.03421	5.2
69.20949	4.9
69.21377	4.9
72.08152	2.2
81.03412	4.5
81.38547	1.5
84.08134	3.5
85.02916	3.1
90.28552	1.5
90.93988	1.4
93.07088	1.6
94.96316	1.4
98.98464	1.5
99.04474	1.7
103.03931	1.8
103.65385	1.6
114.10281	2.0
117.03372	1.7
127.03889	2.1
131.12860	1.7
135.04449	3.4
145.02646	17.6
146.42265	1.5
152.19604	1.3
161.62021	1.4
163.03868	15.7
165.60130	1.6
166.41769	1.5
177.05443	9.5
185.04201	100.0
186.04437	2.2
191.08113	9.8
193.05908	1.5
213.34155	1.5
240.90860	1.6
250.02330	1.7
263.13977	1.7
279.23541	1.5
307.07880	95.4
307.12115	5.0
307.17645	5.6
308.08206	2.5
308.19641	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83751	5.6
52.18948	6.2
68.10139	6.0
70.60574	7.3
78.33741	6.0
94.93003	8.4
96.30400	6.6
97.80350	6.8
98.23427	8.1
101.00890	6.0
112.89610	9.7
119.01919	22.4
131.10233	6.9
162.78917	6.8
192.80255	6.9
196.94685	6.5
229.97653	7.2
232.90164	29.3
247.02933	10.0
249.06693	7.3
261.02936	10.4
307.04715	11.7
307.07837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97613	0.3
56.05009	0.7
57.07061	0.5
58.06585	0.6
74.06061	0.8
76.02226	0.4
77.37328	0.3
79.79525	0.3
86.06055	0.6
88.07621	4.4
91.58052	0.3
92.20074	0.4
94.06149	0.3
98.50200	0.4
102.24750	0.3
107.29929	0.3
108.03555	0.3
123.59186	0.3
132.10176	1.1
141.06969	0.8
152.06157	0.6
153.06934	0.4
162.11244	0.5
165.06992	4.5
166.07730	0.5
166.10715	0.4
169.06409	1.7
176.06154	2.6
177.06966	1.1
178.07790	3.4
179.08540	2.0
180.09305	1.1
189.06961	6.5
190.07761	14.1
191.08537	41.2
192.09315	33.3
193.06439	0.7
193.09891	2.7
195.07915	0.4
198.33807	0.4
202.07747	0.9
203.08565	0.7
205.06451	3.9
205.10002	0.5
206.07056	0.4
206.10808	0.7
207.08052	1.3
207.11671	6.0
208.08820	5.3
209.09550	0.9
214.21617	4.0
215.21936	1.0
218.07257	0.4
219.08022	70.4
220.08653	8.1
221.05965	0.8
221.09531	1.1
223.11029	1.0
233.05972	0.9
235.07468	0.9
235.11165	1.0
236.08289	3.2
239.07077	0.8
243.16806	0.4
247.07523	48.4
248.08293	57.4
249.08746	3.2
251.10680	5.1
258.24222	1.0
259.24551	0.5
263.07233	0.7
263.10660	8.8
264.07806	14.5
264.10739	0.8
265.08411	0.9
275.07001	26.0
276.07364	1.4
279.07205	0.6
279.10138	7.3
292.07208	0.7
293.08051	0.6
306.26349	8.2
307.09613	100.0
307.26651	4.6
308.09927	5.9
315.23721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.1
53.03942	12.8
55.01867	1.9
57.03418	2.5
57.12363	1.1
61.02904	2.3
66.91536	1.1
69.03423	25.2
69.07065	3.7
70.97465	1.0
71.04988	7.5
73.02904	1.9
77.56725	0.9
77.79981	0.9
79.05470	2.2
81.03410	100.0
81.07050	2.3
85.02896	44.5
86.03245	1.6
89.03918	6.7
97.02882	16.0
99.04440	24.5
102.74145	1.1
103.03932	41.3
105.51430	1.1
107.04951	2.3
107.08582	1.6
109.02871	31.6
117.03351	9.2
118.06627	1.2
127.03903	53.2
130.05013	1.2
135.04404	17.3
141.22534	1.3
145.02855	11.9
145.04945	14.3
145.10054	1.5
146.03326	1.5
163.03888	87.1
163.06070	3.5
164.04222	2.5
176.14305	2.0
177.14685	4.9
181.05022	1.4
187.05994	3.3
271.08054	1.2
297.19952	1.2
307.08096	54.1
307.17203	10.3
308.08331	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55604	1.4
53.03943	11.0
54.28431	1.4
55.01871	1.9
57.03429	4.8
61.02906	3.2
69.03426	33.5
70.70815	2.6
71.04991	11.4
73.02907	2.9
76.02164	1.5
81.03411	32.2
83.01340	2.4
85.02898	94.2
97.02888	30.4
98.98434	2.6
99.04449	59.1
103.03933	88.1
109.02872	23.0
127.03903	100.0
133.10138	1.8
135.04362	3.1
145.02821	1.5
145.04953	32.2
163.03932	6.5
163.06010	6.8
171.83414	1.6
173.09604	4.0
177.05424	1.9
187.05960	4.4
201.09129	2.6
205.07068	2.6
289.10779	1.6
307.08627	2.2
307.11798	11.9
307.17645	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01326	1.5
53.03734	1.3
53.03949	10.6
55.01864	2.0
55.05495	1.6
57.03426	3.1
61.02920	2.4
69.03428	35.5
71.04989	8.8
71.42159	1.7
73.02915	2.4
78.11764	1.5
79.05470	2.6
81.03416	58.5
81.07025	1.5
85.02404	3.2
85.02903	65.2
89.03903	7.4
91.05479	2.9
93.07044	1.8
95.04954	2.6
95.06078	2.9
97.02896	20.1
97.41847	1.7
98.98473	1.8
99.04455	32.6
103.03935	53.5
107.04923	2.2
109.02884	24.7
109.22939	1.6
110.03175	1.8
117.03359	8.6
121.10137	1.5
124.84690	1.8
127.03912	73.7
135.04405	18.9
145.02861	15.9
145.04932	21.6
161.02110	6.9
161.05946	2.4
163.03899	100.0
163.05994	2.9
164.04327	2.3
169.04698	5.6
178.80356	1.6
186.23949	1.8
187.05952	4.4
205.06981	2.3
307.08075	28.5
307.20007	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.3
55.01861	3.2
55.05497	3.9
57.03428	2.8
60.04543	1.5
61.02914	5.8
65.13247	1.5
69.03424	36.5
71.01328	1.8
71.04209	1.9
71.05000	11.4
72.08155	2.5
73.02920	4.3
79.05473	2.5
81.03411	48.0
81.03901	2.5
81.04520	4.9
82.05286	1.8
83.04950	2.8
84.04522	2.0
84.57375	1.7
85.02898	84.1
89.03907	2.5
95.04962	1.9
97.02895	23.9
99.04446	52.0
103.03934	89.4
106.09396	2.0
107.04947	3.6
109.02873	29.6
116.54656	1.7
117.03394	2.5
117.07030	2.0
123.04434	3.5
127.03904	100.0
135.04416	8.0
137.02321	1.6
141.05396	1.9
145.02837	6.5
145.04947	29.7
147.04401	2.7
155.84679	1.8
163.03896	34.3
163.06071	7.1
176.01106	1.8
187.06015	6.3
215.08194	3.2
235.13257	7.0
243.07608	6.5
253.14392	5.3
261.08694	2.8
299.24500	1.6
307.08026	18.0
307.15149	20.0
308.08447	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75143	2.1
53.03942	9.3
55.01865	2.5
57.03419	3.7
61.02913	4.0
64.44849	1.6
69.03426	31.8
70.93438	2.2
71.04992	8.2
73.02922	2.7
78.62823	1.8
81.03411	48.4
84.04505	10.3
85.02900	86.2
86.24936	1.9
91.05466	3.6
97.02888	24.0
99.04447	49.0
103.03941	86.2
109.02876	27.9
110.32626	1.7
116.09134	1.8
117.03394	2.1
119.04921	3.9
127.03905	100.0
128.04234	2.1
135.04431	5.7
136.07562	22.0
137.05971	5.6
145.02852	6.4
145.04951	27.6
147.04434	2.7
163.03883	28.9
163.06047	6.5
179.07056	4.2
187.06044	7.7
191.08202	1.7
191.84079	1.7
196.09688	5.8
205.06664	3.2
234.26860	1.8
247.10776	8.4
283.05826	2.1
289.15387	2.5
307.08246	12.1
307.12784	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	307.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68208	0.7
60.60496	0.7
61.29783	0.7
64.68710	0.6
69.98806	2.0
75.32612	0.8
90.43587	0.7
93.07053	0.7
118.06990	0.6
129.63681	0.7
238.47209	0.6
261.03098	0.7
265.00861	1.1
279.10019	1.3
279.56549	0.8
289.08600	0.7
307.13007	100.0
308.13303	5.3
325.14087	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	307.1901
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01865	12.9
55.05507	58.2
57.03439	46.2
67.05497	32.0
69.07052	17.8
69.77279	15.9
79.05485	35.8
80.05809	6.4
80.82394	6.9
81.07052	27.0
83.08617	16.8
91.05464	35.2
93.07056	14.2
95.04996	8.7
95.08600	8.4
97.10162	44.0
98.19935	5.7
105.07004	17.2
107.04945	16.2
107.08598	28.9
109.10161	14.4
115.03908	5.9
117.07054	16.0
119.08591	19.1
121.06465	8.2
125.09573	37.3
131.08575	10.6
133.10143	6.5
135.08046	16.4
137.09676	10.5
145.10201	7.2
147.08044	13.6
151.46040	6.2
155.08524	6.3
159.08052	48.2
171.11636	8.3
189.11176	17.8
215.14340	12.8
233.15350	20.4
261.03067	11.7
271.16846	22.0
289.17975	100.0
289.21097	10.2
290.18497	6.5
307.09576	8.7
307.18768	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Ovalimethoxy II
Peak:m/z	Relative Intensity
55.05500	4.5
56.30811	2.3
67.05492	5.9
69.07064	9.6
71.16515	2.2
71.42631	4.1
79.05476	6.6
81.07046	10.3
83.08611	3.5
85.02901	9.6
91.05471	6.2
93.07035	13.2
95.04935	2.6
95.08585	16.7
105.07030	11.2
107.08585	12.3
109.06535	4.8
109.10134	10.2
111.04426	3.7
117.06988	5.1
119.08566	9.7
121.02828	5.0
121.06514	4.0
121.10116	13.2
123.08081	3.5
123.11635	3.5
129.06961	4.6
131.08566	11.5
133.10144	4.8
137.09489	3.0
139.07523	3.7
143.08546	10.3
145.10097	9.2
147.08022	6.3
147.11687	4.2
149.05977	3.8
149.09618	2.6
149.13298	3.4
155.01056	3.3
157.06490	3.6
157.10112	9.5
159.08110	3.0
159.11743	6.6
161.09619	8.9
161.13200	7.0
163.14816	8.8
165.07056	4.0
171.11673	7.4
173.13243	34.9
175.14819	4.1
177.09190	4.1
177.16278	13.4
179.10690	3.4
185.13307	4.4
187.14835	7.1
189.12741	5.1
190.07797	4.3
191.08641	3.2
191.10631	4.4
203.14340	2.8
205.15872	5.2
213.16385	9.3
215.21877	4.0
217.15869	21.2
219.08086	5.0
219.13754	4.5
219.17448	3.4
222.06702	2.7
229.15898	6.6
231.13821	5.7
231.17435	14.9
233.09680	2.8
235.07561	2.8
237.09146	4.8
243.17343	4.3
247.16930	49.6
248.17378	2.8
251.07097	5.3
259.16907	27.7
261.03064	3.7
261.18506	4.6
263.06891	3.0
265.08643	18.6
265.17978	40.5
266.18182	3.1
271.16916	7.8
278.09512	4.6
279.10007	3.7
289.17969	31.5
307.05954	30.9
307.09546	10.5
307.19012	100.0
307.26624	10.7
308.06165	6.2
308.19308	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	17.0
55.01867	47.2
55.05511	36.9
57.03426	10.5
61.40369	3.7
65.03929	5.6
66.56718	4.6
67.05498	60.1
69.03441	4.7
69.07062	49.3
79.05486	63.0
81.03401	24.0
81.06567	4.9
81.07048	100.0
81.76981	3.9
81.78523	3.9
83.04980	12.8
83.08619	16.6
91.05472	59.3
93.07041	48.7
95.04959	19.8
95.08591	45.0
97.06527	89.1
97.07120	7.3
97.10159	18.0
98.23550	7.3
99.78391	4.0
105.07018	54.1
107.04959	32.7
107.08595	35.2
109.06509	28.2
109.10149	17.6
111.08096	5.9
117.06989	22.5
119.08549	38.2
121.06522	9.0
121.10144	11.8
123.08076	8.4
123.11693	5.1
125.09624	17.2
131.08549	31.9
133.06535	4.3
133.10126	35.4
135.08069	11.6
135.11673	17.9
137.09601	6.8
139.07512	5.4
145.06454	4.2
145.10129	12.2
147.11685	15.5
149.09584	27.8
149.13168	9.2
151.11198	5.3
153.09135	5.4
155.36372	4.5
159.11687	20.1
161.13240	9.1
163.11148	9.7
165.08958	6.4
165.12685	5.9
171.11700	6.5
173.13210	10.4
177.12753	13.1
179.14346	12.7
187.11191	7.6
199.56560	5.2
203.12758	10.0
219.17422	19.5
229.19351	5.1
243.18799	4.1
247.20575	10.6
257.19064	11.5
275.20020	96.6
275.22928	6.9
284.62256	4.3
307.22812	23.6
307.25909	6.3
314.47879	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	307.2263
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
51.22202	6.1
55.01863	13.4
55.05497	39.4
55.70793	7.0
67.05503	78.5
69.07063	54.4
71.04974	13.7
71.43467	7.7
74.11971	6.5
74.67950	6.0
76.30861	5.8
79.05496	49.1
81.03408	9.3
81.07056	100.0
83.04967	12.8
83.08617	20.2
85.06496	7.0
91.05491	55.5
93.07030	44.6
95.04967	55.3
95.08611	50.4
97.06505	19.2
98.98484	7.2
102.22294	6.5
105.07037	39.4
107.04933	13.0
107.08611	37.7
109.06503	19.8
109.10142	26.4
111.08070	9.3
117.06985	18.6
119.08556	41.1
121.10126	23.8
123.08063	22.7
123.11707	16.9
131.08542	21.3
133.10060	36.0
135.08046	13.8
135.11681	17.4
137.09579	12.7
138.47676	6.7
145.10088	24.0
147.11652	21.1
149.13136	7.2
151.11180	11.8
159.11687	15.8
163.11122	8.6
173.13278	10.4
177.05455	6.3
177.12747	7.7
180.76239	6.1
202.55054	7.2
257.19034	10.8
261.03082	17.2
275.20056	94.2
289.21530	14.7
307.22775	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	307.2264
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
53.03953	1.3
54.29157	0.8
55.01867	8.5
55.05262	1.1
55.05505	15.6
57.03424	1.9
57.07063	2.1
64.18465	1.0
67.05495	18.3
67.56722	0.8
69.03418	2.4
69.07059	16.1
69.76066	2.8
71.04986	7.3
71.08607	1.4
72.04507	15.8
79.05482	11.5
81.07045	27.4
83.04956	3.6
83.08607	6.9
85.02831	0.9
85.06527	1.4
91.05465	8.1
93.07034	19.0
95.04958	11.8
95.08590	22.0
97.06515	10.2
97.10155	4.0
99.08051	2.1
100.07593	1.6
105.07012	11.8
107.08566	9.2
108.05723	1.2
109.06503	100.0
109.10155	6.4
110.06853	1.7
111.08047	2.0
114.09142	2.0
117.07014	2.0
119.08568	8.1
121.06470	5.5
121.10127	7.7
123.08045	7.2
123.11704	2.8
125.09601	1.7
128.10680	1.5
131.08542	5.9
133.10114	5.6
135.08044	2.4
135.11702	2.9
137.09596	9.2
137.13297	0.8
139.11162	1.8
142.12354	1.2
145.10103	5.4
147.11603	4.7
149.09607	3.9
149.13223	2.3
151.11215	2.0
159.11655	2.8
161.13213	1.7
163.11151	4.6
163.14876	1.2
165.12727	9.1
173.13258	3.8
175.11166	1.3
175.14815	1.6
177.12714	1.5
183.52965	1.0
187.14822	1.4
188.89470	0.9
191.14293	3.7
197.13290	1.4
212.16507	1.0
215.14438	1.6
221.15427	1.2
222.18668	1.0
233.15372	1.7
238.21603	10.2
251.16389	29.4
261.22128	1.5
263.19943	6.3
289.21594	13.8
291.23129	10.6
307.22641	99.0
308.22830	3.5
308.25833	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	308.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46773	3.0
56.05001	3.3
56.85115	2.7
57.07072	3.1
58.06602	3.5
58.99580	21.0
69.53860	2.4
70.92834	3.0
76.02221	100.0
76.04002	3.0
84.04504	44.5
88.07615	20.4
89.07963	7.2
113.90441	2.7
116.01650	22.3
122.47552	2.8
125.57619	2.7
130.04993	16.6
142.03256	6.4
144.01129	11.1
162.02173	34.3
170.02640	3.9
179.04846	48.7
180.91164	2.6
214.21558	5.3
215.22009	16.5
216.22295	3.3
233.05951	12.9
259.24478	5.6
291.06403	4.7
307.26709	55.3
308.09265	4.4
308.26981	17.4
309.07870	2.9
309.11188	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	308.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46773	3.0
56.05001	3.3
56.85115	2.7
57.07072	3.1
58.06602	3.5
58.99580	21.0
69.53860	2.4
70.92834	3.0
76.02221	100.0
76.04002	3.0
84.04504	44.5
88.07615	20.4
89.07963	7.2
113.90441	2.7
116.01650	22.3
122.47552	2.8
125.57619	2.7
130.04993	16.6
142.03256	6.4
144.01129	11.1
162.02173	34.3
170.02640	3.9
179.04846	48.7
180.91164	2.6
214.21558	5.3
215.22009	16.5
216.22295	3.3
233.05951	12.9
259.24478	5.6
291.06403	4.7
307.26709	55.3
308.09265	4.4
308.26981	17.4
309.07870	2.9
309.11188	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	308.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
55.05508	11.6
56.05032	1.3
57.03424	2.7
61.02906	1.9
69.03416	5.7
69.95414	0.6
70.06587	21.0
70.06978	1.9
71.01336	2.2
71.04981	1.0
73.02894	1.6
81.03426	0.8
82.06571	14.5
84.08137	8.6
85.02901	11.1
89.11103	0.6
91.49490	0.5
93.45984	0.5
97.02876	3.6
100.07608	48.7
101.07950	0.7
105.39497	0.5
110.06028	24.1
127.03907	1.8
128.07066	30.0
130.08636	3.4
132.70364	0.6
145.04930	0.9
146.08107	100.0
147.08418	1.6
170.92516	0.6
202.71329	0.6
213.83562	0.6
223.86929	0.6
272.11353	0.6
276.76602	0.6
308.13342	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01875	10.7
62.58351	10.7
67.05489	27.5
69.03417	18.4
69.35087	12.3
71.43028	9.2
77.50495	10.1
79.05486	15.1
81.03396	32.9
81.07034	42.3
84.04495	18.2
85.02901	39.6
86.03223	15.6
91.05487	28.9
93.07007	13.0
95.04974	23.8
95.29063	10.1
99.04448	15.1
102.30764	10.7
102.31385	11.8
103.03920	20.6
104.04269	16.7
105.07047	9.6
109.02883	21.8
109.06497	13.9
117.03340	13.2
118.14680	10.9
119.04952	27.6
127.03893	19.8
128.04242	10.5
137.05962	23.2
145.02840	12.7
147.04395	71.3
155.07002	59.5
163.03810	26.4
177.05437	100.0
237.08838	19.0
237.14763	17.5
242.50740	10.5
270.66309	13.4
291.08676	17.8
308.19858	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	308.2218
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
52.06316	0.2
54.19988	0.2
55.05502	0.4
57.07069	0.5
58.02941	0.3
66.04716	0.3
67.05481	0.4
67.60180	0.3
69.07056	0.9
69.24031	0.2
69.32732	0.2
70.72190	0.4
71.08615	0.9
79.05481	1.2
81.07047	2.5
91.05465	0.9
93.07038	0.5
94.04190	3.0
95.08579	1.1
97.06522	0.3
105.07022	0.3
107.04972	0.6
109.06520	0.8
122.02802	0.5
122.03640	9.4
133.10098	0.3
136.45175	0.2
137.05965	100.0
137.13223	0.6
138.06290	2.1
146.40892	0.2
155.14305	0.6
165.12730	0.6
172.16998	1.6
184.16949	2.0
231.13753	0.3
245.09949	0.3
262.03241	0.3
291.23132	2.6
308.22528	0.3
308.25870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0603
Annotation	Fulvic acid
Peak:m/z	Relative Intensity
63.02367	0.5
65.08861	0.4
69.26871	1.3
69.27281	0.6
79.78857	0.3
81.03408	0.4
85.02900	0.4
89.03910	9.3
91.05463	1.6
103.05477	0.6
106.04137	0.4
117.03372	26.1
119.04909	1.3
134.03621	2.1
135.04407	1.0
145.02837	60.0
146.03148	1.7
147.04399	5.9
149.05965	9.0
150.06413	0.3
162.03073	0.5
163.03859	0.6
164.14369	0.4
177.05457	100.0
178.05765	2.6
245.83101	0.4
291.08618	0.4
291.20560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0754
Annotation	6-Methoxyisopongaglabol
Peak:m/z	Relative Intensity
51.43795	1.5
51.96479	1.5
56.67498	1.6
57.04654	1.7
67.05502	1.9
67.26126	1.5
81.07072	2.2
95.08569	2.7
98.23422	5.0
117.03259	1.6
123.92730	1.6
141.06961	1.8
152.06221	3.3
153.06963	4.5
155.04924	6.2
155.08562	5.1
165.06969	17.6
166.07748	9.5
169.06453	3.2
173.37852	2.0
178.07753	23.4
179.08533	28.4
180.09319	3.6
181.10091	7.3
183.08005	10.0
189.06932	15.3
190.07730	25.3
191.08536	48.9
193.06439	5.2
195.08063	2.2
197.06001	2.2
197.09578	2.0
207.08022	8.6
207.28583	1.8
208.08803	5.5
209.09599	4.3
211.07513	18.8
217.06371	2.0
218.07292	7.1
219.08022	67.8
220.08417	3.1
221.05923	6.5
222.06790	7.0
223.07558	2.0
235.07518	81.8
236.08118	8.4
237.09055	17.8
238.06210	23.5
239.07005	44.4
240.07277	2.8
247.07516	60.3
248.07849	4.6
253.08583	6.9
263.06995	70.8
264.07748	27.8
265.08545	31.4
266.08932	2.6
267.06506	100.0
268.06757	5.6
269.74942	1.6
281.08084	37.9
281.11182	3.4
282.08481	2.7
291.06467	34.0
292.06918	3.4
309.07553	77.3
309.10922	3.1
310.07819	4.5
323.17618	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0756
Annotation	6-Methoxyisopongaglabol
Peak:m/z	Relative Intensity
55.05510	0.7
55.76078	0.8
56.99010	0.8
72.37913	0.9
76.02236	0.9
79.05466	1.4
85.11012	0.8
86.26774	0.8
88.70699	0.8
97.98135	1.0
98.51652	0.8
98.98425	1.3
115.55268	1.0
115.62673	1.0
116.84424	0.8
129.06992	1.9
141.06984	2.5
152.06209	1.0
153.06966	1.4
154.07719	1.7
155.04866	1.7
155.08559	1.3
157.06549	1.4
165.07007	5.6
166.07729	1.8
167.04913	2.2
169.06432	1.5
169.09984	1.1
177.06889	1.2
178.07770	19.9
179.08539	24.7
180.09015	1.7
181.06438	2.7
181.10118	1.3
182.07224	3.1
183.08054	1.4
185.05956	3.0
189.06921	5.0
190.07748	2.8
191.08566	3.0
192.05716	1.0
192.09190	1.2
193.06451	2.2
193.10097	1.1
195.04337	6.2
195.08018	2.0
197.05963	4.2
197.09627	3.5
201.05565	1.6
206.07208	1.5
207.08049	16.1
209.09665	2.1
210.06712	4.8
211.07532	4.9
213.05386	1.5
219.08099	2.5
221.05934	2.5
222.10463	0.8
224.08231	1.5
225.05525	7.4
225.09042	10.2
226.18109	1.2
229.05023	1.2
234.06755	3.1
235.07512	43.1
236.07983	2.7
237.05568	1.5
237.09029	1.9
238.06226	3.9
239.06992	7.3
241.04941	2.4
247.07544	2.1
252.07712	1.4
253.05000	4.4
253.08525	6.6
263.07007	66.9
264.07391	4.7
265.08560	15.7
266.05676	12.7
267.06497	18.5
280.07309	3.0
281.08090	28.0
281.11230	1.4
281.86798	1.0
291.06497	39.0
292.06894	3.1
309.07541	100.0
309.10654	3.6
310.07892	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0942
Annotation	Clobenpropit
Peak:m/z	Relative Intensity
53.12418	0.6
57.84328	0.7
57.99193	0.6
66.49677	0.7
69.03425	0.6
81.03402	1.0
81.07034	0.6
84.04481	0.8
84.08127	2.0
85.02881	0.8
91.05464	1.6
98.52795	0.7
98.98473	0.9
117.03386	1.6
119.04909	3.5
127.03953	1.1
144.83435	0.6
145.02805	3.4
147.04367	15.3
157.84955	0.7
177.05469	5.6
185.04213	2.4
217.04779	0.7
291.08914	0.8
309.09393	100.0
310.09738	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71643	0.3
53.03943	2.1
55.01858	0.5
56.14285	0.3
57.03421	1.1
65.03941	1.0
67.87376	0.3
69.03422	5.2
69.19010	1.2
69.19427	0.9
71.04978	1.0
73.02895	0.6
76.87091	0.3
79.05484	0.3
81.03413	18.2
81.07062	0.7
85.02900	5.6
85.06593	0.4
91.05476	12.9
95.04951	0.4
97.02869	1.2
99.04465	1.7
105.07033	0.5
109.02171	0.6
109.02879	7.2
119.04937	28.6
120.05288	0.4
127.03914	1.4
143.08514	0.4
145.10092	0.3
147.04398	100.0
148.04720	1.8
165.05469	3.8
165.06990	1.0
214.04747	0.3
220.65790	0.4
221.05971	0.8
238.06291	0.3
249.05374	0.8
249.07710	0.5
259.03894	0.4
266.05643	0.4
277.04953	0.9
278.05823	0.4
291.08612	13.5
292.09122	0.4
294.05206	0.4
309.07504	1.4
309.10361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23983	0.2
53.03945	1.7
55.01860	0.4
57.03424	1.1
59.04989	0.7
61.02910	0.4
65.03929	0.9
69.03429	4.8
69.07051	0.5
70.78471	0.4
71.04977	0.8
73.02901	0.4
79.05471	0.3
79.34895	0.3
81.03413	17.7
81.07040	0.5
85.02905	4.9
91.05472	10.3
93.06993	0.3
97.02875	1.2
99.04446	1.7
99.08073	0.4
107.08604	0.3
109.02876	6.9
109.03625	0.4
109.10163	0.3
119.04932	28.0
120.05244	0.5
121.06458	0.2
125.09594	0.2
126.01079	0.2
127.03924	1.9
132.02534	0.2
135.23569	0.2
147.04395	100.0
148.04723	2.2
148.71443	0.2
163.03937	0.2
163.11145	0.3
165.05475	4.3
245.72520	0.3
249.07556	0.5
291.08606	16.6
292.08844	0.6
309.06949	0.4
309.09933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50824	0.3
53.03963	1.6
53.04160	0.3
53.34628	0.2
55.01857	0.4
55.05497	1.4
56.88279	0.3
57.03433	1.2
57.07072	0.4
58.24500	0.3
59.04997	0.4
65.03927	0.8
67.05499	1.3
69.03421	5.0
69.06714	0.3
69.07063	4.7
69.78085	1.0
71.01315	0.3
71.04984	1.2
71.88481	0.3
73.02904	0.7
79.05482	1.2
81.03412	15.9
81.07050	2.6
83.04997	0.4
83.08613	0.6
85.02901	5.1
85.06550	0.4
88.85388	0.3
91.05474	11.8
92.05804	0.4
93.07023	1.3
95.04984	0.4
95.08614	2.3
97.02890	0.7
97.06535	0.4
97.10152	0.7
98.22737	0.6
98.98460	15.7
99.04455	1.6
105.07001	0.8
107.08578	0.9
109.02874	6.1
109.10172	0.8
111.08083	0.5
111.11697	0.9
113.37701	0.3
119.04936	28.1
119.08614	0.4
120.05229	0.6
121.10121	0.7
123.11702	0.7
125.09597	0.4
127.03864	1.7
128.00793	0.6
129.01115	0.4
133.10179	0.5
135.11687	0.7
139.11160	0.7
147.04396	100.0
148.04773	2.2
148.22662	0.3
165.05505	3.4
165.06833	0.6
174.99197	1.7
177.05504	0.3
218.43074	0.3
220.05136	0.5
221.05940	1.1
235.07526	0.5
249.05360	0.7
249.07571	0.4
263.06982	0.6
266.05823	0.6
266.21161	0.7
277.05008	0.5
277.08514	0.5
291.08624	11.5
291.19617	0.4
292.08936	0.8
294.05002	0.4
304.53818	0.3
308.26825	1.5
309.07175	2.2
309.11014	0.8
309.14902	1.0
309.27359	0.7
310.23691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01872	0.5
55.05506	0.8
55.44622	0.3
57.03419	1.3
57.50910	0.4
65.03922	0.9
65.31829	0.3
67.05501	0.7
67.60744	0.3
69.03424	4.7
69.07061	0.7
69.15284	2.3
71.04979	0.5
73.02906	0.5
79.05466	0.6
81.03410	13.9
81.07050	1.0
85.02409	0.4
85.02893	6.1
91.05467	11.9
93.07039	0.8
95.04971	0.7
95.08602	1.0
95.19541	0.3
97.02848	1.0
99.04453	1.3
109.02874	5.6
109.10186	0.5
109.60802	0.3
115.18314	0.3
117.07003	0.3
119.04932	29.9
120.05246	0.4
121.10165	0.4
127.03920	1.3
131.08478	0.3
133.10178	0.3
143.08560	0.5
145.02783	0.4
147.04393	100.0
148.04724	2.1
157.09967	0.4
161.38371	0.3
165.05463	3.7
180.60042	0.3
196.35582	0.4
231.06496	0.4
249.07529	0.8
249.10028	0.6
263.07062	0.3
277.08398	0.3
277.87262	0.4
291.08588	11.6
291.19543	0.6
292.08893	0.5
309.12436	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
57.03429	0.6
65.03943	0.8
66.55810	0.3
69.03431	3.9
69.33741	1.7
73.02927	0.5
81.03416	10.2
84.04486	0.4
85.02900	4.6
91.05475	9.5
95.04964	0.5
97.02882	0.8
99.04450	1.3
107.46899	0.3
109.02875	4.5
119.04937	26.6
120.05240	0.5
127.03932	1.1
147.04399	100.0
148.04730	1.9
165.05478	3.2
177.05499	0.4
291.08609	9.2
309.04065	0.4
309.09634	1.5
309.13181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
57.03422	1.1
60.31390	0.4
65.03928	0.7
67.66954	0.3
69.03432	4.3
69.30923	1.6
71.04976	0.8
71.50446	0.3
73.02924	0.4
81.03410	16.4
83.66599	0.4
85.02899	4.7
89.03909	4.0
91.05473	8.8
95.08600	0.5
97.02901	1.1
99.04456	1.2
109.02872	6.8
111.81497	0.3
117.03371	10.8
119.04934	24.2
119.24759	0.4
127.03899	2.2
133.10086	0.4
134.03593	0.6
135.04401	0.4
143.08528	0.4
145.02832	28.0
146.03226	0.8
147.04393	100.0
148.04770	1.7
149.05943	3.8
152.07025	0.4
153.07498	0.5
164.79265	0.4
165.05469	4.2
174.70325	0.3
177.05450	49.6
178.05783	1.9
199.14294	0.3
203.34778	0.3
203.95390	0.3
221.05890	0.7
231.13808	0.9
249.05350	0.7
249.07616	0.5
266.05847	1.0
277.04956	1.0
277.08499	0.4
279.17465	0.3
291.08621	14.4
292.08926	0.6
294.05185	1.4
309.07391	4.2
309.10110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62175	0.3
53.03936	1.2
57.03436	0.5
61.02913	0.6
65.03918	0.7
69.03423	4.3
69.21037	0.6
69.21449	1.2
71.04980	0.4
73.02911	0.4
79.80474	0.3
81.03407	10.1
85.02894	4.2
89.03918	1.9
91.05473	11.7
95.04966	0.4
95.08602	0.4
97.02882	1.3
99.04449	1.3
103.05418	0.4
109.02863	4.1
111.10598	0.3
117.03367	4.5
119.04933	26.8
120.05264	0.3
120.08059	0.5
127.03899	1.4
133.54971	0.3
135.04401	0.5
145.01683	0.6
145.02824	9.7
147.04395	100.0
148.04724	2.3
149.05994	1.3
160.44109	0.3
163.03929	0.8
165.05479	3.6
177.05455	16.1
178.05785	0.5
182.44949	0.3
215.40213	0.3
219.08136	0.3
221.05901	0.4
234.06619	0.4
277.08661	0.5
291.08591	7.2
292.09174	0.3
294.08817	0.4
309.10785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
56.03773	2.0
56.87609	0.2
56.96553	0.6
57.03410	0.5
59.03736	2.8
61.02917	0.7
69.03424	1.3
69.97757	0.4
69.98116	0.6
73.04031	1.1
75.43671	0.2
81.03401	0.4
85.02897	2.9
87.04468	0.3
96.13429	0.3
97.02893	0.6
98.97575	1.1
99.04469	0.3
101.00900	0.3
101.05872	100.0
102.05590	0.3
102.06208	0.5
109.02904	0.3
116.98603	0.4
119.01919	0.3
127.03931	0.4
145.04939	0.5
145.46632	0.3
147.05115	31.3
156.03313	2.6
174.04372	2.9
177.00806	0.3
179.00722	1.0
186.04341	1.8
192.05502	0.3
204.05455	1.4
219.01912	0.4
219.04034	0.3
221.01709	1.9
227.00876	0.3
245.01823	0.9
262.03149	0.8
263.02826	10.4
263.10773	0.3
264.02942	0.3
281.84161	0.3
298.04501	0.5
309.10321	1.1
310.04349	1.7
316.05643	0.4
328.05481	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	309.1119
Annotation	(S)-Warfarin
Peak:m/z	Relative Intensity
55.01835	0.5
60.33646	0.5
69.07034	0.5
71.19395	0.7
72.56371	0.6
81.07018	0.6
95.08578	0.6
153.06992	1.2
154.07718	0.7
161.60213	0.6
164.06158	0.6
165.06967	4.8
167.08519	0.6
178.07721	2.3
179.08533	2.4
181.06427	1.2
182.07187	0.9
183.07999	0.8
189.06868	0.9
191.08504	2.6
192.05696	1.2
192.09311	14.1
193.06458	4.0
193.10008	2.1
195.07980	1.0
196.08746	0.7
202.07721	2.0
203.08440	1.1
205.06476	3.1
206.07130	1.7
206.10890	0.8
207.08041	1.3
207.11646	9.5
209.05862	1.4
210.06706	1.2
211.03772	0.8
217.10138	3.2
219.07977	2.2
220.05145	1.9
220.08789	7.1
221.05963	3.2
221.09413	0.9
223.07532	0.7
231.07909	0.7
232.08855	1.1
233.05875	2.5
234.06792	2.8
235.07474	1.6
235.11147	14.5
236.11591	0.7
237.05421	3.6
241.04875	0.7
245.09578	1.8
247.07510	1.8
248.04616	4.4
248.08272	10.9
249.05444	24.9
250.05901	1.7
251.07022	1.2
261.05408	2.1
262.06219	7.2
262.09766	2.0
263.07034	3.9
263.10623	13.8
264.11124	0.7
265.04926	2.2
266.05707	18.9
267.06516	7.6
273.09030	3.8
275.07050	1.4
276.07761	23.9
277.08160	2.1
279.06552	4.0
280.07300	12.3
281.07880	1.4
281.11624	2.4
291.10114	68.6
292.10382	3.9
294.08838	8.1
294.12042	0.4
295.09317	0.8
309.11169	100.0
310.11526	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	309.112
Annotation	Moracin D
Peak:m/z	Relative Intensity
59.04971	0.2
69.07067	0.2
69.74612	0.4
69.74971	0.4
79.05479	0.3
83.04977	1.4
93.65974	0.2
125.68449	0.2
127.05470	0.3
129.07025	0.3
131.04843	0.2
141.06958	0.5
152.06320	0.2
155.04912	1.3
155.08540	0.4
156.36235	0.2
159.04414	0.4
165.06966	0.8
167.08592	1.1
167.09789	0.2
168.09360	0.2
169.06499	0.4
169.10164	0.2
178.00977	0.2
178.07730	0.6
179.08521	1.0
181.10085	0.6
182.10896	0.4
183.04395	4.2
183.05991	0.2
183.07941	1.0
184.04874	0.2
187.03885	0.8
190.07797	0.3
191.08519	0.9
192.09311	4.7
193.10130	0.9
195.08035	2.2
196.08656	0.3
197.05951	2.7
201.05472	4.3
201.09062	1.9
202.07745	1.1
205.06410	0.4
207.08040	0.5
207.11662	3.6
209.06032	0.2
209.09604	0.6
210.10399	1.5
211.03876	27.1
212.04233	1.4
217.10118	0.8
219.08029	0.7
220.08824	2.1
221.09491	0.6
222.10265	0.2
223.07530	1.3
224.08266	1.7
225.05424	0.9
225.09140	0.3
225.12650	0.3
229.05009	0.3
234.06746	0.5
235.07484	0.8
235.11142	6.1
236.08240	0.3
236.11586	0.3
237.05431	0.8
237.09070	0.5
238.06128	0.6
238.09850	4.4
239.03349	1.0
239.06967	0.4
239.10635	4.2
245.09618	0.7
247.07561	0.3
248.08264	4.5
249.08917	0.9
250.09773	0.4
251.06995	7.9
252.07587	1.1
253.04904	1.1
253.08559	0.3
253.12177	1.1
263.10641	9.3
264.10944	0.6
265.08569	0.8
265.12198	1.2
266.09354	7.0
267.06516	0.2
267.09827	0.5
273.09073	0.3
276.07803	0.7
279.06494	1.1
281.11691	60.3
282.12018	4.0
291.10092	0.8
294.08859	1.8
309.11151	100.0
310.11505	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	309.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81630	0.8
70.82321	0.9
74.37401	0.7
87.52689	0.9
89.83035	0.8
91.35741	0.7
104.49661	0.7
165.06996	2.1
167.08600	0.9
178.07753	3.2
179.08524	4.0
190.07745	2.5
191.08492	8.1
192.09297	18.7
193.09879	1.5
197.13239	1.0
202.07722	3.4
205.06410	1.1
205.10031	1.2
206.07224	3.6
206.10759	0.9
207.07935	2.8
207.11678	10.6
211.11160	2.4
217.10080	4.5
219.08063	9.1
220.08775	9.1
221.09331	1.2
233.09502	1.6
234.06792	1.0
235.07379	2.0
235.11148	54.7
236.11551	4.5
245.09589	2.4
247.07581	6.7
248.08279	7.3
249.08688	0.8
251.07037	1.4
252.07762	9.1
253.08441	1.2
263.10648	52.0
264.10941	2.7
266.09363	4.3
281.08112	15.6
281.11661	100.0
281.92203	0.7
282.12006	6.2
291.10083	1.1
309.11221	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1119
Annotation	Moracin D
Peak:m/z	Relative Intensity
69.83876	1.8
85.03725	0.5
123.69601	0.5
137.06216	0.5
141.06949	1.0
147.04364	0.6
152.06160	2.5
153.06964	0.7
155.08540	1.2
165.07022	5.9
166.07741	4.6
167.08562	7.0
177.06967	1.5
178.07742	1.7
179.08546	6.9
180.09367	3.3
181.10101	2.2
182.07188	0.8
183.07994	1.2
185.09653	1.5
189.06981	1.0
190.07718	0.8
191.08563	2.4
192.09312	2.7
193.06396	0.9
193.10077	2.8
194.07233	0.6
194.10945	4.2
195.08035	5.0
195.11673	0.7
197.05977	1.6
202.07771	0.7
203.08546	1.5
204.09372	2.0
205.09998	0.5
207.07993	2.6
207.11638	2.4
208.08832	2.3
209.09581	1.4
209.13190	3.7
211.07544	1.4
217.10173	0.6
219.08054	2.2
219.11705	2.2
220.08751	0.7
221.05945	1.6
221.09604	1.9
222.06754	5.1
222.10271	3.8
223.07530	27.6
223.10936	1.1
224.07927	1.4
225.12611	0.5
231.13591	0.6
232.08759	1.8
233.09514	1.8
234.06824	0.8
235.07538	9.1
235.11064	4.0
236.08299	9.4
237.09070	8.2
237.12700	2.5
238.06316	0.8
238.09676	0.8
239.06926	0.9
245.09705	0.6
247.07393	1.1
247.11197	7.7
248.08286	1.9
249.09050	3.4
250.09888	9.6
251.06992	1.7
252.07715	0.8
253.08638	1.0
261.09100	1.3
263.07071	1.3
263.10641	4.4
265.08813	3.0
265.12222	65.9
266.09360	1.5
266.12558	3.4
267.06448	1.3
278.09375	1.0
281.08527	2.2
281.11749	2.3
291.06989	0.8
291.10025	3.4
303.33234	0.5
309.11179	100.0
310.11548	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	309.1118
Annotation	Moracin E
Peak:m/z	Relative Intensity
55.05505	1.2
58.96064	1.0
64.23063	0.9
67.05494	1.9
69.07064	1.2
70.56456	1.2
72.04514	2.7
74.84195	1.0
78.14977	0.9
79.05487	1.2
81.07057	2.0
83.04963	1.6
87.04132	0.9
93.07059	1.4
95.08568	1.4
110.05414	0.9
131.70195	0.8
135.55505	0.9
155.04932	1.5
167.08528	1.7
179.08447	1.3
181.78091	1.1
183.04391	2.6
191.08525	1.4
192.09328	4.0
195.08090	1.6
197.05974	3.2
201.05414	4.3
201.09059	1.3
202.07719	1.6
207.11671	3.8
211.03867	24.7
212.04288	1.1
217.10162	1.0
220.08861	2.6
221.09607	1.2
223.07446	2.2
224.08362	1.3
225.09116	1.0
235.07527	1.1
235.11115	5.3
238.09935	2.7
239.03352	1.6
239.10643	4.2
247.07559	1.1
248.08301	4.3
249.05504	1.0
249.09129	2.0
251.06960	6.7
263.10684	9.8
265.12167	1.6
266.05835	0.9
266.06754	1.0
266.09372	6.9
276.07776	1.6
277.21472	1.3
279.06732	1.2
281.11688	56.6
282.12015	2.8
291.10034	4.2
294.08813	2.1
309.11166	100.0
309.29852	1.4
310.11670	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	309.112
Annotation	Moracin E
Peak:m/z	Relative Intensity
54.46349	0.5
55.05505	1.5
57.02143	0.5
57.03415	0.7
61.44191	0.5
67.05482	1.9
69.07059	1.3
69.14336	3.1
79.05467	3.0
81.03396	1.2
81.07054	5.0
83.04975	1.2
91.05469	1.2
93.07018	1.7
95.08600	1.5
98.23475	1.0
98.98448	0.6
99.08052	0.7
105.07053	1.0
109.06467	1.1
109.10136	0.8
120.05218	0.6
120.68304	0.6
123.08052	0.9
125.09585	0.6
128.06184	2.7
129.06992	0.6
131.08537	0.8
142.07716	0.6
143.08528	5.5
145.10126	0.6
149.09671	0.6
155.08546	1.6
157.10118	1.8
161.09642	1.0
165.06996	1.7
167.08546	0.8
171.08043	6.2
178.07759	1.6
179.08488	3.3
181.06467	0.6
181.10097	0.7
183.08015	2.3
191.08521	3.0
192.09334	11.6
193.10072	3.1
194.10907	1.4
195.08009	2.3
196.08824	1.3
197.05992	0.6
197.13255	0.7
199.07510	22.2
200.07852	1.2
202.07765	3.4
203.08514	1.3
204.09216	1.4
205.06389	1.9
206.07204	0.9
207.08127	0.7
207.11691	8.1
208.12032	0.6
209.13313	0.8
210.10313	2.8
211.07709	1.0
211.11151	11.2
217.10118	4.4
219.08028	6.7
220.08801	14.7
221.09390	1.7
223.07506	1.3
224.08205	0.7
225.09068	2.2
225.12679	0.8
234.10190	0.7
235.07567	1.3
235.11147	25.7
236.11589	2.2
237.12679	1.2
238.09811	2.1
239.07007	1.0
239.10710	2.9
240.07820	0.7
245.09554	4.5
246.10141	0.8
247.11098	0.9
248.05850	1.2
248.08286	14.1
249.08984	2.4
251.06947	2.3
253.08708	2.8
253.12207	2.1
254.12184	0.7
263.10632	42.7
264.10989	2.8
266.09323	7.5
266.40186	0.7
267.06509	3.4
267.10004	1.1
268.07117	1.0
273.08951	1.6
276.07745	2.1
281.11691	57.7
282.11981	3.0
291.10123	14.1
291.19363	1.2
292.10471	1.2
294.08707	1.0
309.11151	100.0
309.20383	2.8
310.11487	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	309.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01863	2.5
60.61506	1.3
64.26048	1.3
67.05460	1.7
69.03417	4.9
71.42804	1.5
79.05477	5.8
81.03415	4.4
90.44864	1.3
91.05463	2.3
94.04200	3.1
95.04948	2.4
98.98457	1.6
99.04436	9.7
103.05442	2.7
105.07020	35.3
109.06469	2.3
114.81712	1.2
119.04922	4.1
122.03634	6.7
127.03912	13.5
128.06317	1.5
133.06483	63.0
134.06812	2.5
136.07608	1.3
137.05966	100.0
137.39052	1.3
138.06325	2.9
143.08517	1.3
147.04411	10.9
149.05965	1.7
150.69978	1.6
163.74980	1.5
165.09102	39.5
166.09499	1.6
171.08032	3.4
175.07524	2.0
175.11226	2.2
177.05484	6.8
178.07779	4.8
179.08536	5.5
183.10115	4.2
193.97537	1.3
199.07489	2.1
203.06995	10.6
203.10608	1.3
231.07875	1.6
231.10156	22.5
234.06604	1.6
235.07518	12.4
237.09038	2.0
245.08092	6.2
247.07533	2.0
249.11209	3.2
263.06964	1.6
263.13086	1.3
277.08765	1.4
291.12216	27.6
294.09070	1.5
309.07495	10.2
309.13367	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
53.29967	1.4
55.01858	1.8
57.02557	1.6
65.36897	1.6
69.03416	6.7
73.32088	1.7
79.05487	3.6
81.03400	6.6
89.83499	1.5
91.05456	4.2
94.04179	2.4
99.04431	9.2
100.09772	1.6
103.05442	4.0
105.04530	2.0
105.07027	39.8
109.02859	2.9
111.97324	1.6
119.04893	3.6
122.03620	4.7
127.03903	12.6
133.06476	64.6
134.06773	2.3
137.05963	100.0
138.06261	2.7
143.08485	2.7
145.10123	1.8
147.04398	18.6
151.07529	1.9
162.57072	1.8
165.09091	33.9
169.28378	1.7
171.08076	5.3
175.07668	1.6
177.05432	1.8
178.07741	2.7
179.08545	3.3
183.10117	2.8
199.07622	2.3
203.06973	12.2
203.10657	2.6
213.08975	2.0
231.10126	24.9
235.07516	7.5
245.08037	5.6
249.11200	2.2
265.12140	2.1
291.12265	23.1
309.07431	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1482
Annotation	Ovalifoliolatin B
Peak:m/z	Relative Intensity
50.90399	0.5
55.05510	2.0
57.03443	0.9
59.04995	8.4
59.66650	0.6
63.21399	0.5
67.05495	0.7
69.07065	1.4
69.14955	4.0
71.04993	1.6
71.08643	1.2
72.04531	0.7
81.07063	1.6
83.08598	0.7
93.07049	0.8
93.39284	0.5
95.04964	0.6
95.08589	0.9
99.55205	0.5
105.07058	0.7
107.08611	0.9
109.02866	1.0
109.06544	0.9
112.21786	0.6
141.07021	0.7
149.13287	0.5
155.08582	0.7
163.00195	0.6
165.06947	3.1
165.12787	1.1
166.07854	0.8
167.08507	1.3
169.06474	5.0
169.07767	0.7
178.07753	1.4
179.08521	2.5
180.09317	2.9
181.06479	0.7
181.10100	2.9
189.07068	0.7
190.07753	4.2
191.08673	1.2
192.09250	1.3
193.10120	3.1
195.07994	1.1
195.11711	3.0
203.08461	0.9
204.09254	0.7
205.10132	6.2
206.10834	0.9
207.08073	2.7
207.11578	1.0
208.08833	3.0
209.09644	4.2
213.09055	0.8
215.08557	1.4
218.07242	1.7
219.08040	5.7
219.11635	1.3
220.08597	1.2
220.12469	2.1
221.09616	7.0
221.13171	1.4
222.10400	0.8
223.07478	0.8
223.11111	3.7
225.09052	4.0
229.10098	1.0
230.10907	1.6
232.08786	1.0
233.09584	46.3
234.06735	0.8
234.10164	5.7
235.07591	3.8
235.11131	1.9
235.14790	1.4
236.08290	8.9
237.09070	1.7
241.08539	2.1
243.07973	0.9
245.09538	0.6
245.13242	1.2
246.10371	0.8
247.11163	2.6
248.08362	1.2
248.11969	6.3
249.09071	8.8
249.12698	4.3
250.09679	1.2
251.10651	97.4
252.07793	2.5
252.10968	5.4
253.08591	1.9
258.10364	2.8
259.11176	1.8
261.09128	5.7
261.12766	1.4
262.09750	1.5
263.10626	5.3
263.14243	8.5
264.14609	0.7
267.10110	3.1
273.09778	0.9
273.12686	6.4
274.13522	1.9
275.10638	10.8
276.11417	21.6
276.14484	1.1
277.11835	0.7
281.15213	2.0
289.12189	14.9
291.13757	100.0
291.22791	3.9
292.14063	6.4
292.23386	5.3
308.25760	1.6
309.11627	1.3
309.14783	26.2
309.26071	2.7
310.15021	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47602	2.3
55.05502	5.1
67.05482	6.8
69.03427	3.5
69.07059	5.4
71.04986	3.0
79.05467	8.0
80.39021	2.9
81.07049	13.0
83.04959	5.9
85.06538	4.9
85.07449	2.1
91.05479	37.5
93.07021	10.7
95.04974	13.3
95.08595	8.0
97.06521	3.6
98.23499	5.2
103.05418	2.4
105.07021	61.3
105.07725	3.2
107.04932	5.4
107.08562	8.9
109.06520	3.6
115.05428	2.7
117.07014	20.0
119.08594	14.5
121.06477	6.8
121.10134	4.5
128.06186	13.0
129.07014	15.0
130.07777	4.6
131.08566	34.2
131.09491	4.3
133.06461	7.4
133.10115	14.4
135.08011	4.6
141.06956	4.8
142.07739	6.6
143.08562	40.6
145.06464	5.5
145.10115	73.5
147.08029	7.6
147.11665	7.9
149.09578	7.2
153.06949	3.2
154.07715	3.4
155.08553	15.5
157.10109	14.8
159.11662	6.1
161.09615	23.6
163.11157	6.7
165.06915	3.6
167.08589	2.7
168.09196	2.6
169.10086	4.1
171.07994	3.1
171.11649	7.8
173.09637	33.3
173.13295	3.2
174.09866	2.8
175.11218	6.5
175.14787	3.6
180.09314	2.9
183.11752	6.0
185.13243	20.8
187.11092	3.6
189.12764	7.5
191.10646	20.5
192.09288	3.5
195.11682	5.6
198.10324	3.0
201.05461	5.5
201.12682	5.1
203.14304	14.6
207.11606	2.6
211.03888	28.8
213.12709	18.7
231.13774	30.9
235.11075	3.8
238.09882	3.6
239.10593	4.0
248.08269	3.8
249.14879	6.5
251.07013	5.6
253.12244	3.0
263.10599	9.1
264.42087	2.7
266.09250	6.0
281.11703	65.8
282.12088	4.8
291.19211	3.1
309.11154	100.0
309.16910	6.6
310.11447	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	309.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14365	2.7
57.07087	3.0
67.05497	11.5
69.03417	4.0
70.60578	3.6
79.05501	13.6
81.07055	21.2
83.04975	6.2
85.06527	28.8
91.05471	24.2
93.07030	18.7
95.04967	13.7
95.08617	6.4
97.06542	5.1
105.04528	3.4
105.07032	53.9
107.08605	15.5
109.06522	6.4
115.05437	5.3
117.07018	21.5
119.08577	21.1
121.06516	8.1
128.06207	16.2
129.06984	26.8
130.07732	3.3
131.08551	33.3
133.06499	7.9
133.10127	14.7
135.08096	8.2
137.05956	5.7
141.06950	5.2
142.07770	11.4
143.08560	52.1
144.09395	3.4
145.06531	14.1
145.10123	62.3
146.10410	2.9
147.08058	11.5
147.11699	5.4
149.09625	7.8
154.07788	6.2
155.08505	16.0
156.09340	5.7
157.10139	23.5
157.52415	2.9
158.07346	3.4
159.08051	3.4
159.11649	22.1
161.09615	25.5
161.13286	5.6
163.11232	4.9
165.06992	9.1
167.08504	3.2
169.06500	11.2
169.10182	5.0
171.08052	9.0
171.11671	14.1
173.09579	33.1
175.11183	5.4
176.52887	3.4
178.07838	9.5
179.08565	3.2
180.09329	10.4
183.11691	3.1
185.09628	3.8
185.13228	40.9
186.13385	3.2
187.11189	6.2
189.12804	8.0
191.10690	9.5
193.10114	4.8
194.73753	3.5
195.11696	12.9
201.12689	5.6
202.07697	3.4
203.14331	21.8
213.12721	34.0
221.09587	4.1
231.13783	100.0
231.16025	6.5
235.07350	3.3
249.09053	18.4
249.14861	12.9
277.08438	5.1
309.11017	22.4
309.16949	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	309.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35806	4.7
67.05502	12.8
69.80524	16.0
79.05479	16.8
81.07052	22.7
83.04979	7.2
85.06528	29.6
91.05482	24.9
93.07045	10.8
94.72037	5.2
95.04961	18.0
95.08630	6.1
105.07010	48.3
107.08572	17.0
113.38655	4.8
117.07021	22.0
119.08572	20.6
121.06516	7.3
123.08041	6.5
128.06184	13.8
129.06987	18.9
130.07799	6.5
131.08559	44.1
133.06474	5.9
133.10121	17.2
137.05946	10.5
141.06950	8.8
142.07727	18.0
143.08553	55.7
144.09254	5.8
145.06520	8.4
145.10132	53.9
147.08031	13.9
149.09589	10.6
155.08534	12.1
157.10117	30.0
159.11670	19.6
161.09599	25.8
165.06949	10.6
167.35809	4.9
171.08017	8.6
171.11615	12.1
173.09602	37.8
175.11208	5.7
180.09389	7.7
185.13237	40.7
189.12671	9.8
191.10690	10.5
195.11717	14.8
198.10335	6.4
203.14301	18.4
213.12685	36.3
219.13811	6.3
231.13763	100.0
232.14192	6.6
249.14847	10.9
309.16901	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	309.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05511	5.0
57.03423	4.9
57.07062	3.3
67.05490	12.5
69.03405	4.0
69.07059	5.6
71.05035	2.9
79.05468	15.9
81.07052	23.0
83.04964	4.7
85.06527	22.1
91.05464	36.9
93.07021	17.6
95.04962	20.2
95.08575	11.0
97.06518	5.3
99.41624	2.5
105.07018	40.3
107.04976	5.1
107.08569	13.2
108.43568	2.3
109.06499	10.8
109.10143	3.3
111.08106	4.5
113.05997	9.6
115.05428	8.0
117.06976	19.7
119.08549	20.9
121.06489	7.1
121.10130	4.3
123.08060	5.9
128.06184	14.3
129.06996	17.4
130.07825	6.0
131.08548	26.8
133.06482	8.9
133.10074	14.9
135.08032	5.9
135.11617	3.0
137.05948	8.8
137.09624	2.5
141.06956	3.9
142.07741	11.0
143.08545	52.1
144.05721	2.4
145.06471	7.9
145.10104	55.5
147.08026	11.4
147.11691	7.7
149.09618	8.1
155.08516	12.6
156.09323	5.9
157.10103	25.3
159.07953	4.1
159.11642	15.9
161.09598	20.0
161.13229	9.7
163.11156	4.3
165.06956	3.5
169.10086	5.3
170.10944	4.4
171.08015	7.7
171.11662	9.0
173.09601	42.9
175.11185	5.8
175.14781	6.8
180.09291	4.9
183.11649	4.8
185.13229	24.2
187.11147	6.4
189.09105	2.9
189.12761	6.0
191.10640	11.3
195.11661	8.5
201.12721	4.6
203.14320	18.5
213.12721	29.7
231.13770	100.0
232.14001	2.8
249.14844	8.8
291.15906	5.8
309.16934	9.7
309.20358	3.6
324.02881	3.1
326.92740	2.6
334.62201	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18996	3.2
53.35477	3.5
55.05506	21.4
57.03427	4.7
57.07048	5.0
64.97243	4.2
66.45879	3.8
67.05502	31.8
69.03429	4.3
69.07056	29.1
69.22755	23.0
70.43628	4.1
71.05007	4.0
79.05489	16.8
81.07049	40.3
81.64520	3.6
83.04990	5.7
83.08607	15.1
85.06529	39.7
91.05476	32.9
93.07037	35.2
95.04961	16.7
95.08599	34.6
97.06520	6.9
97.10152	5.4
103.05495	4.4
105.07026	47.0
107.08592	22.6
109.06506	8.6
109.10127	12.5
111.08043	8.7
111.11736	4.8
117.07006	12.2
119.08581	23.8
121.10130	9.6
123.08060	4.4
123.98515	4.2
125.09623	4.5
128.06226	8.7
129.06999	18.5
130.07816	5.9
131.08546	31.6
133.06468	4.8
133.10139	12.5
135.08029	9.2
135.11714	4.6
142.07817	8.4
143.08554	47.4
145.06476	9.2
145.10100	62.3
147.04405	9.3
147.08012	15.9
147.11671	9.8
149.09607	10.0
149.13260	12.4
155.08551	17.7
156.09384	4.8
157.10139	29.2
159.07999	6.8
159.11694	18.2
161.09570	29.2
161.13188	10.6
165.06964	6.8
169.10085	9.4
170.10875	6.1
171.08032	10.0
171.11781	10.2
173.09604	32.7
175.14803	6.7
185.13278	28.1
187.11139	5.4
189.12752	8.3
191.10666	6.7
195.11699	12.9
201.12773	13.6
201.69435	3.8
203.14284	13.0
209.70845	4.8
213.12701	25.2
219.13922	4.8
231.13756	100.0
232.13937	5.7
249.14857	10.5
291.15939	8.8
309.16724	11.6
309.28284	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	309.2059
Annotation	Albocycline
Peak:m/z	Relative Intensity
52.33676	6.4
54.45812	6.8
55.05495	9.8
57.03436	32.6
67.05509	41.7
67.77264	6.0
69.03425	7.4
69.07059	12.4
79.05485	25.6
81.07036	32.0
83.08593	9.0
85.06544	34.7
85.60452	6.1
91.05482	28.1
93.07031	22.5
95.04961	38.4
95.08592	18.0
105.07034	26.0
107.08562	18.2
109.06521	39.2
113.05997	100.0
117.06995	12.8
119.08585	15.6
129.07016	8.2
131.08583	21.1
133.10094	12.4
135.08066	36.0
135.11722	12.5
142.07742	9.2
143.08582	9.5
145.10103	15.9
149.09613	8.1
157.10106	11.9
159.11678	8.0
161.09651	7.2
164.36867	6.8
173.09653	8.3
185.06491	7.0
185.13326	7.9
199.80324	6.9
213.12621	6.3
217.15872	13.8
231.13846	16.5
263.03030	9.7
269.35962	6.4
273.18430	19.3
281.12033	8.2
291.19492	68.0
309.20514	22.8
319.23331	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	309.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01863	7.0
55.05518	29.7
57.03434	3.7
57.07073	63.5
67.05498	28.0
69.07069	3.4
70.49409	6.8
71.04971	3.4
74.21671	3.0
79.05486	23.7
81.03413	13.9
81.07052	30.2
83.04977	6.5
83.08604	8.6
85.06534	60.4
91.05460	14.8
93.07034	17.1
95.04949	21.3
95.08603	19.6
97.06511	3.8
97.10165	12.2
105.07003	15.9
107.04938	8.2
107.08607	10.3
109.06514	5.8
109.10142	10.9
113.80285	3.0
117.07026	5.9
119.08602	13.2
121.10145	4.8
123.04436	9.0
123.08074	8.9
125.09631	11.1
127.07523	6.4
129.07011	6.6
131.08591	10.2
133.10114	9.4
135.08049	3.8
135.11758	7.2
137.09604	27.3
139.11147	4.6
143.08568	7.6
145.10159	15.2
147.08061	3.7
151.21135	3.1
159.11696	4.9
161.09695	4.5
163.11183	12.3
165.09102	20.9
171.11694	7.7
173.09612	9.4
173.11794	3.7
177.09041	3.1
179.10695	10.1
185.13324	4.7
189.12773	12.1
191.10710	4.2
203.14343	3.5
207.13811	31.5
213.12758	4.9
227.17906	4.2
231.13849	13.0
235.11298	5.2
245.19051	18.2
255.17662	4.4
263.10715	4.7
273.18561	20.9
281.11771	10.0
291.19501	100.0
291.22647	6.3
292.20105	4.3
309.20520	12.2
309.23929	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	(10E,12E)-9,14-Dioxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03946	4.5
55.01863	7.0
55.05518	29.7
57.03434	3.7
57.07073	63.5
67.05498	28.0
69.07069	3.4
70.49409	6.8
71.04971	3.4
74.21671	3.0
79.05486	23.7
81.03413	13.9
81.07052	30.2
83.04977	6.5
83.08604	8.6
85.06534	60.4
91.05460	14.8
93.07034	17.1
95.04949	21.3
95.08603	19.6
97.06511	3.8
97.10165	12.2
105.07003	15.9
107.04938	8.2
107.08607	10.3
109.06514	5.8
109.10142	10.9
113.80285	3.0
117.07026	5.9
119.08602	13.2
121.10145	4.8
123.04436	9.0
123.08074	8.9
125.09631	11.1
127.07523	6.4
129.07011	6.6
131.08591	10.2
133.10114	9.4
135.08049	3.8
135.11758	7.2
137.09604	27.3
139.11147	4.6
143.08568	7.6
145.10159	15.2
147.08061	3.7
151.21135	3.1
159.11696	4.9
161.09695	4.5
163.11183	12.3
165.09102	20.9
171.11694	7.7
173.09612	9.4
173.11794	3.7
177.09041	3.1
179.10695	10.1
185.13324	4.7
189.12773	12.1
191.10710	4.2
203.14343	3.5
207.13811	31.5
213.12758	4.9
227.17906	4.2
231.13849	13.0
235.11298	5.2
245.19051	18.2
255.17662	4.4
263.10715	4.7
273.18561	20.9
281.11771	10.0
291.19501	100.0
291.22647	6.3
292.20105	4.3
309.20520	12.2
309.23929	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.70899	6.3
53.03941	7.8
55.01859	12.0
55.05304	6.0
55.05516	72.3
57.03426	28.7
57.07071	8.1
67.05505	43.1
69.07055	30.1
79.05497	66.1
81.07052	96.9
83.04996	10.5
83.08600	32.3
85.06546	12.2
91.05473	37.6
93.07029	47.4
95.04950	22.2
95.08600	26.7
97.10161	25.1
100.11234	21.1
105.07024	32.2
107.04933	35.0
107.08588	31.1
109.06486	21.1
109.10159	14.0
111.04440	11.4
111.82722	6.2
112.36019	7.9
117.07020	23.2
119.08578	45.2
121.06501	9.3
121.10114	24.3
123.08057	14.5
125.09620	29.1
126.09124	9.3
129.06979	8.6
131.08568	25.3
135.08038	21.1
135.11691	15.9
143.08514	8.2
145.10100	26.2
147.08025	28.6
157.10074	9.8
159.11658	11.3
161.09627	9.9
171.11752	7.4
173.13249	13.1
182.15395	62.1
189.11180	16.4
210.14911	100.0
219.13878	8.7
249.06932	7.0
273.18439	51.7
277.21625	11.2
291.19620	76.1
291.22708	12.6
309.11115	9.4
309.20313	72.4
309.24258	14.9
312.55328	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.83725	3.2
53.03928	5.5
55.01857	14.5
55.05259	4.8
55.05506	76.4
57.03431	8.0
59.04994	5.5
59.38946	3.4
60.15721	3.1
67.05167	5.1
67.05499	60.9
67.88229	3.2
69.03423	14.1
69.07063	33.8
69.29745	16.8
71.04974	5.8
72.07260	3.3
76.00299	3.4
76.02170	4.5
79.05482	64.6
81.03413	20.4
81.07048	98.8
83.04972	21.6
83.08607	36.8
85.06532	9.3
91.05470	38.7
93.07038	58.9
95.04965	39.7
95.08598	61.7
96.21794	3.9
97.06528	8.5
97.10157	75.6
99.08109	5.2
105.06998	31.4
107.04973	6.4
107.08594	36.0
109.06487	8.3
109.10135	14.2
111.04425	6.7
111.08090	9.5
113.05997	4.4
117.06978	11.8
119.04846	4.6
119.08549	31.7
121.06493	7.5
121.10133	20.7
123.08052	100.0
123.08895	6.4
123.11658	11.8
125.09611	55.6
128.01282	3.4
129.06993	7.9
131.08562	16.6
133.10136	19.3
135.08023	8.6
135.11707	12.2
137.09569	11.8
137.43353	3.9
143.08548	7.3
145.10120	19.7
145.94698	4.1
147.04410	15.4
147.08006	7.3
147.11664	9.7
149.09592	10.5
149.13268	4.6
151.11214	5.0
153.09128	4.5
153.12666	4.3
157.10097	7.5
159.08014	5.3
159.11681	5.2
161.09601	6.4
161.13251	5.6
163.11125	21.9
163.25078	3.6
165.09106	13.1
169.12222	9.2
175.11104	9.8
181.12186	7.7
187.13300	7.9
189.11203	40.6
193.12257	13.2
211.13252	5.1
223.13257	9.2
231.13687	4.4
261.47876	3.9
263.20135	4.5
265.12366	5.1
273.18411	37.8
291.19495	79.5
309.07605	5.7
309.11276	6.1
309.16696	19.7
309.20532	20.2
309.27722	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.99197	2.2
53.03945	5.1
53.91156	2.0
53.91413	2.3
55.01872	20.2
55.05509	27.8
57.03432	6.4
57.07076	2.6
57.15689	2.3
65.03949	3.0
67.05499	78.7
69.03421	6.2
69.07069	22.7
70.67632	2.5
71.04986	9.4
73.94634	2.2
79.05489	42.7
81.03423	5.8
81.07053	100.0
83.04965	13.9
83.08615	9.7
85.02924	3.8
85.06545	10.6
87.67393	2.4
89.59383	2.3
91.05469	56.2
91.98153	2.1
93.07034	49.6
95.04941	16.1
95.08604	30.7
97.02905	3.6
97.06531	8.0
97.10166	4.4
99.04454	6.8
105.04510	3.1
105.07027	55.5
106.07412	2.5
107.04961	9.6
107.08588	55.2
109.06514	12.7
109.10146	74.6
109.31682	2.2
111.04431	6.3
111.08070	8.1
113.06003	5.8
114.84177	2.3
117.07020	8.3
119.08577	19.6
121.06514	11.3
121.10146	12.4
123.08031	14.2
123.11703	12.4
127.07525	4.7
129.07018	2.7
131.08577	14.1
131.09422	2.8
133.06496	7.1
133.10120	94.1
135.08054	5.7
135.11714	7.3
137.06055	3.2
137.09596	7.5
139.07545	6.3
143.08594	8.0
145.10129	11.4
147.08040	10.5
147.11697	6.2
149.09595	8.5
151.11168	46.4
157.10133	5.5
159.07994	3.7
159.11696	5.3
161.09637	10.6
161.13278	4.2
163.11214	5.1
165.09041	2.5
167.10654	2.9
167.21072	2.2
169.12181	11.4
171.11682	4.0
173.09703	3.7
175.11110	5.1
177.12787	2.3
179.10695	3.0
179.16867	2.4
185.13405	2.7
188.13181	2.5
189.12729	3.4
202.47072	2.4
213.12622	3.1
215.12933	4.2
221.11615	2.4
227.18091	3.0
245.19048	11.8
255.17363	5.6
263.20090	9.6
273.18448	25.7
291.19516	51.4
309.20624	20.0
321.55829	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03935	4.7
55.01866	19.2
55.05508	38.8
55.78167	2.9
56.99788	4.3
57.03439	6.3
57.07063	4.1
63.62457	3.5
67.05157	5.9
67.05500	81.2
69.03395	5.7
69.07069	29.8
71.04980	13.5
71.08600	3.8
76.24727	3.0
77.03949	3.0
79.05046	4.9
79.05481	49.9
81.06567	4.9
81.07050	100.0
83.01340	3.4
83.04990	19.7
83.08604	10.9
83.73190	2.9
85.06529	9.2
91.04945	6.2
91.05473	69.9
93.07043	55.4
95.04957	22.9
95.08605	51.6
97.06517	11.2
97.10157	5.5
98.23507	7.9
99.04420	4.4
105.07021	55.3
107.04952	14.3
107.08585	54.4
107.24826	3.2
109.06505	18.0
109.10153	74.2
111.04438	5.0
111.08076	15.7
112.41135	3.4
113.05952	3.1
117.06999	10.2
119.04913	3.4
119.08559	20.0
121.06520	16.7
121.10135	13.4
123.08060	7.6
123.11671	9.3
125.05992	4.8
127.07516	3.8
128.06187	3.7
129.06955	7.6
131.08557	23.7
133.06467	9.3
133.10126	93.5
135.08041	7.6
135.11661	12.4
137.05931	5.2
137.09595	4.8
139.07559	6.4
143.08546	8.2
145.06447	4.1
145.10120	16.9
147.08012	7.8
147.11713	8.3
149.09595	11.4
149.13239	3.3
151.11166	43.6
157.10095	8.7
159.11685	6.1
161.09584	12.8
169.12234	8.7
171.11639	6.8
175.11163	9.9
177.12560	3.8
185.13170	3.6
189.12764	7.1
199.11377	3.5
199.99391	3.2
203.14264	4.3
227.17918	7.7
245.19052	19.5
255.17358	3.5
263.20065	21.5
273.18439	39.0
291.19507	78.6
309.20624	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	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73176	3.3
53.03942	23.1
55.01862	8.9
55.05508	37.0
57.07065	7.3
59.04984	3.6
67.05501	78.9
69.03419	4.1
69.06715	3.1
69.07064	46.8
69.26691	7.1
69.27105	11.2
69.70218	2.7
71.08629	6.8
79.05482	44.3
81.03410	83.1
81.07050	74.7
83.04973	23.3
83.08613	12.4
85.06512	3.7
91.05467	26.5
93.07040	52.4
95.04969	42.3
95.08601	25.5
97.10150	12.5
99.08064	2.9
105.07011	29.3
107.08595	31.5
109.06516	9.3
109.10156	19.4
111.08054	4.6
119.07787	3.9
119.08559	17.4
121.10128	11.0
123.11687	11.6
125.09611	18.0
129.07066	4.3
131.08519	6.5
133.10117	24.3
135.08038	6.0
135.11682	11.0
137.09636	3.6
137.13327	4.3
145.10063	4.3
147.08051	3.3
147.10789	2.3
147.11708	20.8
149.13243	7.1
151.11165	52.0
153.09164	8.5
157.10161	3.6
159.11687	2.5
161.13220	15.0
163.14839	4.7
165.12738	12.8
171.10187	5.3
171.11694	6.9
175.14847	5.1
179.14368	7.2
185.13281	3.2
203.12692	7.1
207.13777	6.5
209.26234	2.8
217.19478	3.6
221.15294	4.0
231.20992	14.0
241.19418	7.7
249.22171	4.8
259.20569	10.7
260.86206	3.2
277.21597	100.0
278.22079	4.6
281.11722	3.8
309.11270	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	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.01865	4.5
55.05508	21.9
57.07042	3.9
58.67380	3.1
67.05502	42.3
69.07057	22.5
69.42120	10.9
71.08626	55.8
79.05483	45.2
81.03411	10.2
81.06628	4.5
81.07057	58.6
83.04962	12.3
83.08609	11.3
85.06575	4.0
89.01282	2.8
91.05470	29.2
92.10278	3.0
93.07034	55.7
95.04947	11.7
95.08600	40.4
97.06530	8.9
97.10161	3.2
99.08089	44.6
105.06970	16.0
107.04973	7.5
107.08591	26.7
109.06510	3.5
109.10143	12.6
111.08085	5.3
117.07014	7.3
119.08572	14.1
121.10119	27.7
131.08536	6.3
133.10092	13.4
135.11684	37.9
137.09656	6.2
139.11142	4.4
141.09097	3.5
145.10123	5.7
147.11635	5.4
149.13242	11.8
151.11166	14.6
161.13292	9.2
163.11209	6.4
165.12735	4.2
167.10567	3.2
179.14299	100.0
226.71851	3.7
259.20514	3.1
263.10638	4.9
265.12131	4.5
277.21616	52.4
295.34991	3.9
309.11102	9.4
309.14764	8.6
309.24329	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	310.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.3
56.96578	3.8
57.07068	4.6
61.02911	2.0
67.05503	24.5
69.03414	4.7
69.60675	9.7
71.04989	41.4
85.02904	10.6
85.06541	12.2
90.24986	2.0
95.04957	6.1
97.02913	3.0
98.23421	2.6
98.97608	5.1
99.30660	1.9
113.05999	100.0
118.45680	2.1
124.78764	1.9
127.03950	3.0
131.07034	36.0
150.57628	2.3
166.70132	2.3
181.69719	2.2
186.10448	1.9
195.46983	1.9
260.91858	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73463	2.5
57.07067	5.7
65.34235	3.0
67.05505	22.7
69.03416	6.5
70.02728	7.5
71.04993	32.5
85.02900	28.8
85.06525	8.5
85.16451	2.6
95.04958	12.4
97.02897	6.5
98.22787	3.9
99.04501	2.7
113.05998	100.0
120.17001	3.0
127.03900	7.1
131.07033	77.9
145.04961	9.5
201.08415	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	310.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54966	1.6
55.05502	2.2
57.07067	2.9
61.28665	1.7
67.05499	22.6
69.03431	2.2
70.44762	1.5
70.50252	2.5
70.50601	2.5
71.04987	45.9
73.74586	1.6
81.34036	1.9
85.02907	8.7
85.06525	12.4
95.04961	5.7
113.05996	100.0
114.06379	2.3
131.07025	37.7
145.05002	3.1
203.48192	1.9
240.14532	1.8
305.68918	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36896	2.1
54.01760	1.7
54.92748	2.0
55.05508	2.0
57.03440	2.6
57.07070	31.0
66.89291	1.9
69.03414	5.0
69.75805	7.2
79.65021	2.0
81.03423	8.2
82.03732	2.5
85.02902	8.8
85.06525	30.9
91.05482	7.9
92.05848	4.0
95.08612	2.4
109.02880	3.9
112.03168	1.8
113.09634	30.9
113.10381	2.4
117.03382	5.9
118.03736	6.2
119.04939	9.6
120.05260	9.8
128.00824	3.2
131.10667	100.0
137.06041	2.4
145.02867	10.7
146.03146	13.0
147.04399	37.3
148.04713	45.4
177.05457	13.7
178.05791	32.3
199.86003	2.2
209.06018	2.5
220.20508	2.0
232.85310	2.0
251.07312	2.6
279.10251	2.1
292.08923	8.4
310.10507	5.9
311.09253	2.2
311.12521	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	310.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	78.3
57.03413	7.1
57.07060	14.4
67.05497	7.9
69.07054	24.0
69.91313	6.4
69.91661	14.2
71.04978	5.0
79.05477	11.5
81.07053	17.2
83.08121	6.5
83.08610	96.2
85.06539	17.4
91.05498	12.0
93.07040	19.6
95.04956	73.4
95.08604	15.5
97.10159	14.1
98.22771	6.4
99.04484	7.1
99.08093	4.6
101.09641	6.8
105.07030	19.2
107.08601	39.5
109.06483	19.2
111.08096	7.0
116.06019	4.5
119.08552	19.1
121.10140	5.0
123.08032	7.7
133.10118	8.3
135.04410	13.7
135.08047	100.0
135.11772	5.1
147.11674	14.2
159.11728	6.1
165.12689	38.3
175.11163	14.8
175.14883	4.7
179.90591	4.2
209.11667	18.7
217.15778	8.0
235.16898	24.7
237.11209	14.4
271.96832	5.2
277.27347	5.2
311.25839	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.9015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72596	2.3
58.57258	2.8
59.34543	2.8
69.71409	2.8
70.71883	3.1
98.97577	25.0
101.62028	2.5
116.98612	19.8
123.61170	2.6
134.99638	9.7
136.94014	100.0
160.37271	2.6
265.02631	3.5
288.95090	19.1
306.96210	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	311.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43001	0.4
55.01863	0.7
55.05488	0.9
56.88664	0.4
57.03416	0.5
58.01591	0.3
59.04995	0.6
62.66796	0.4
67.05489	1.2
68.99766	0.5
69.03414	0.5
69.07057	1.1
77.03947	0.3
79.05470	0.8
81.03415	1.1
81.07048	1.4
83.08588	0.5
85.02895	0.4
91.05467	1.5
93.07022	1.0
95.08591	0.9
97.10137	0.4
98.98465	3.2
103.05412	0.8
105.07008	0.8
107.04984	0.8
107.08591	0.7
109.06453	0.4
109.10130	0.9
115.05408	1.0
119.04948	0.7
119.08604	0.8
121.06464	1.0
121.10104	0.7
127.05406	0.6
128.06209	3.2
129.06995	6.6
131.04913	1.7
131.08574	0.5
133.10117	0.4
135.04388	1.6
135.11620	0.4
137.05945	2.6
141.06996	3.2
142.07726	1.0
143.04889	0.4
143.08501	0.9
145.06458	0.6
145.10129	0.4
147.04417	1.5
147.07983	0.7
148.04716	0.9
149.04906	1.0
149.05992	1.1
150.06746	3.2
151.03902	0.7
152.06184	1.3
153.06998	2.7
154.07784	0.9
155.04889	1.7
155.06012	0.5
155.08524	2.9
157.06470	17.6
157.10107	1.1
159.04404	1.7
159.11661	1.0
161.13277	0.7
165.06990	4.6
166.07721	2.0
167.08440	1.8
168.05676	0.6
168.09338	0.7
169.06461	1.2
169.10188	2.1
172.57034	0.4
175.07498	0.6
177.06982	0.7
178.07756	7.2
179.08545	3.7
181.06485	2.6
181.09981	0.8
183.04407	0.8
183.08009	1.7
183.11600	0.8
185.05959	31.0
186.06300	1.3
187.03894	4.1
187.07471	0.9
189.06966	0.6
190.07703	2.8
191.04936	0.6
191.08517	2.2
192.09288	0.4
193.06447	0.8
193.10069	3.8
194.07263	1.2
194.10831	0.4
195.07997	1.6
195.11710	0.6
196.08763	0.7
197.05940	1.4
197.09618	0.9
202.07726	1.1
203.08536	1.3
204.09151	0.4
205.06459	2.0
205.10107	1.1
206.07292	1.5
206.11079	0.9
207.07968	1.7
207.11488	0.5
208.08670	0.6
209.05948	1.4
209.09605	1.5
210.06738	0.6
211.07526	6.5
211.11131	1.2
212.07855	0.5
213.05469	1.3
215.08624	0.7
218.07214	0.5
219.08005	3.1
220.05190	1.1
220.08711	1.0
221.06026	3.3
221.09581	4.7
221.13095	0.8
222.06752	2.0
222.10326	0.6
223.07498	3.6
223.14778	0.9
224.04646	0.4
224.08221	1.0
225.05499	0.7
225.09055	3.6
229.04922	2.2
231.08054	0.9
232.08810	0.6
233.05966	0.7
233.09550	1.2
234.06766	1.1
235.07422	1.7
236.08237	1.1
237.05455	2.0
237.09084	2.7
239.06999	28.5
239.10782	1.4
240.07420	1.1
247.07536	0.8
249.05408	0.9
249.09048	6.1
249.12773	1.3
250.06326	2.6
250.09834	1.2
251.07018	1.2
251.10616	1.2
252.07687	1.3
254.05786	0.5
255.06593	0.6
261.09076	1.7
262.09814	0.6
263.06952	0.7
264.07828	0.7
265.04971	1.1
265.08557	8.0
265.11856	0.7
266.09106	0.5
267.10126	100.0
268.10480	5.9
269.11450	0.6
278.09253	1.3
279.06601	0.5
279.10132	1.7
281.11734	0.6
283.05997	1.6
283.09503	0.6
293.04984	0.5
293.08112	2.0
293.11633	3.1
311.05386	2.4
311.09073	6.0
311.12732	16.2
312.13083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50784	1.0
71.18529	1.4
76.05523	0.9
82.66862	1.2
86.02972	1.1
115.40138	1.1
117.68133	1.0
124.52001	1.2
141.07022	3.0
152.06197	4.1
153.06998	3.6
165.06978	14.5
166.07761	16.1
167.08578	6.0
169.06435	1.2
177.07008	4.1
178.07635	1.7
179.08513	1.2
181.10098	14.2
182.10477	1.6
189.06993	4.6
190.07747	8.8
191.06799	1.3
191.08537	21.3
192.08980	1.2
194.07230	4.2
195.08006	7.9
199.07660	1.3
207.07977	1.5
209.09630	7.2
211.07497	2.3
219.08011	26.2
221.05984	1.9
221.09557	1.4
222.06726	12.4
223.07530	31.9
224.04607	1.3
225.05423	3.9
227.07024	1.4
235.07629	1.7
237.09074	58.2
238.06239	11.9
238.09505	4.2
239.06976	4.0
247.07507	20.4
248.08040	1.1
250.06227	1.8
251.06979	21.1
252.07323	1.8
263.06952	1.8
264.07806	2.6
265.08582	100.0
266.08902	7.4
266.11627	1.1
267.06476	18.1
268.07205	6.2
269.08133	6.6
275.07172	1.3
281.08081	8.0
283.09555	2.0
283.13199	2.2
293.08069	12.2
293.15289	1.2
311.09125	14.2
311.12589	2.1
311.16174	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0911
Annotation	Hoslundal
Peak:m/z	Relative Intensity
50.84926	0.8
53.24049	0.8
55.01865	1.0
63.51525	0.7
69.03433	1.0
98.22711	1.9
116.07824	0.7
128.06198	1.4
129.07030	0.9
141.06955	2.1
143.08551	1.1
145.21700	0.7
152.06215	1.3
153.06978	3.7
155.04866	1.3
155.08543	1.0
157.06415	1.9
165.06984	12.6
166.07764	11.3
167.08560	5.0
169.06549	2.2
171.08090	1.1
176.06163	0.9
177.06963	2.0
178.07764	7.1
179.08522	4.1
181.06473	3.0
181.10152	7.5
183.08008	1.4
185.05984	0.9
189.06985	2.5
190.07803	6.1
191.08528	15.7
192.08989	0.9
193.10138	3.9
194.07249	9.1
195.08051	4.6
197.05927	1.4
199.07526	3.5
201.05443	1.4
202.07707	2.1
203.08430	1.4
205.06473	1.6
207.08055	2.6
208.08784	1.9
209.06020	1.6
209.09599	17.3
210.10179	1.0
211.07553	2.3
212.08284	1.0
213.09073	1.8
218.07158	1.5
219.05894	0.8
219.08018	18.6
219.09859	0.7
220.08632	1.1
221.05946	3.3
221.09569	8.3
222.06714	9.9
222.10191	1.2
223.07545	10.6
225.05472	3.2
227.06987	8.2
235.07481	1.8
236.08276	3.8
237.05368	1.7
237.09076	55.2
238.09416	2.9
239.06943	1.5
239.10658	1.2
239.14313	1.0
240.07794	1.8
241.08569	1.7
247.07529	10.2
248.08200	1.6
249.09044	5.6
249.12872	1.4
250.06277	4.5
250.09534	0.8
251.07043	11.0
251.09842	1.2
252.07451	1.2
254.05756	2.7
255.10124	2.6
263.06714	1.0
264.07825	3.3
265.08575	100.0
266.08875	6.4
267.06503	8.2
267.13892	1.0
268.07227	11.7
269.07892	3.4
275.06943	7.2
281.07962	1.8
282.08862	6.6
283.09634	30.9
283.12781	1.8
284.09857	2.1
293.07990	26.2
293.10883	2.1
294.08322	2.2
311.09079	19.2
311.12573	6.0
312.09039	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11996	1.3
51.55952	1.2
52.05455	1.3
58.91592	1.3
60.55570	1.3
67.08707	1.4
67.76099	1.4
68.33359	1.4
70.04678	3.6
70.05027	1.5
73.69553	1.5
140.16579	1.5
141.07011	2.8
152.06192	4.4
153.06992	2.0
165.06975	19.2
166.07784	18.7
167.08553	9.6
169.06490	2.3
176.06317	2.3
177.07001	6.2
179.08539	3.5
181.10112	15.2
189.07074	4.4
190.07724	11.3
191.08545	24.2
191.10178	1.9
194.07330	2.7
195.08047	9.7
197.09601	1.4
201.68939	1.6
207.08028	1.5
207.75177	1.6
209.09557	9.4
211.07620	1.6
219.08044	32.9
222.06721	14.5
223.07518	35.8
223.09589	2.6
224.04851	1.8
224.07849	1.5
225.05458	2.2
227.07108	1.6
237.09087	70.9
238.06235	12.1
238.09381	3.4
239.07024	6.5
247.07529	21.8
248.07857	2.4
250.06310	3.5
251.07014	24.1
251.09946	1.6
251.10634	1.5
264.07791	1.8
265.08575	100.0
266.08975	5.9
267.06497	18.4
268.07257	6.1
269.08136	6.8
281.08029	11.6
283.13239	2.7
293.08093	17.0
293.15222	1.9
311.09128	11.4
311.12500	2.9
311.16473	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14248	2.8
55.01862	5.8
56.96552	7.9
57.03429	14.1
61.02917	5.5
65.04004	2.9
69.03423	51.2
70.87372	3.7
71.01332	3.6
71.04976	5.4
73.02912	5.9
79.05479	4.6
81.03403	18.7
81.99706	2.7
83.04936	2.6
85.02903	27.6
91.05465	10.3
95.01315	2.6
95.04941	2.7
97.02888	39.8
98.97578	11.5
99.04433	7.2
103.03918	8.5
103.05443	10.6
106.84512	2.2
107.04941	12.7
109.02849	3.5
111.04394	3.8
115.03916	5.5
115.05449	8.1
116.98624	6.7
117.07005	5.6
119.00936	2.3
119.04916	13.5
121.06485	4.5
122.03653	5.8
123.04384	3.7
127.03895	31.5
129.05464	6.9
131.04926	18.1
133.02815	6.9
134.99681	3.4
135.04404	10.7
137.05962	100.0
138.06320	2.9
141.06975	8.6
143.04941	3.4
145.06479	8.2
146.03677	4.5
147.04413	19.6
148.05170	3.5
149.05946	23.5
151.03909	8.4
151.07530	8.0
155.04892	5.7
157.06459	3.6
159.04370	6.8
160.05151	7.0
161.05980	7.9
162.03096	4.5
163.07516	18.3
164.04648	4.0
167.07045	13.3
168.05721	3.8
169.06487	10.1
173.05922	4.1
175.07542	15.6
176.04665	4.4
177.05470	39.7
177.09120	4.2
179.07011	14.8
183.04483	2.4
187.07518	12.9
189.05487	3.1
190.06105	3.0
191.07018	38.5
196.52365	2.4
197.05936	13.4
198.06680	2.8
201.09064	4.6
203.06990	16.7
205.08623	3.0
207.06508	4.7
214.06142	3.7
215.06999	11.1
216.98618	2.9
221.08104	5.1
229.08501	20.3
233.08110	7.1
234.99742	4.4
245.08122	2.8
257.08084	10.5
275.09174	10.7
293.10208	7.8
311.07584	5.4
311.11221	8.3
321.67361	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	311.1274
Annotation	Isotanshinone IIB
Peak:m/z	Relative Intensity
55.05515	4.0
56.21244	2.4
56.25361	2.4
57.07063	11.4
67.05504	3.3
68.99793	10.0
69.07059	5.9
69.19447	15.8
70.38030	2.1
79.05527	3.6
81.07079	3.2
83.08617	2.9
90.96899	3.2
95.08614	2.4
99.47646	2.2
103.53222	2.2
104.83286	2.2
111.04395	5.0
124.39210	2.3
134.25229	2.6
135.04367	3.4
141.07031	5.0
142.93866	5.2
143.08601	6.5
153.05420	6.3
156.86012	2.7
159.08076	2.5
165.07011	5.6
166.07681	3.5
167.08675	2.9
169.06447	49.9
169.07484	4.4
171.04391	6.1
179.08527	7.3
181.10101	3.9
182.07159	2.5
183.08157	3.2
189.06987	7.9
190.07736	44.4
191.08542	6.9
191.10555	3.4
192.09381	2.7
195.08092	5.4
195.11676	4.3
198.06522	3.2
199.07527	3.0
202.07709	5.6
203.08591	7.6
204.09280	4.7
205.08401	2.7
205.10106	74.7
206.10504	5.8
207.08044	5.4
208.08826	4.4
209.09648	6.9
209.11740	22.4
211.07587	7.4
213.09131	5.9
215.08559	5.0
217.10089	4.1
218.07251	25.0
219.07970	5.0
221.05959	3.7
221.09680	4.1
222.10345	2.9
222.20482	2.3
223.11157	9.2
223.18852	2.4
225.09216	3.1
227.10634	5.9
227.92415	3.0
232.08821	9.9
233.09572	79.2
234.10039	4.1
235.07637	3.7
235.11159	6.1
236.08264	3.3
237.09070	5.2
237.11203	17.9
239.07016	47.2
241.08511	3.6
241.12143	5.3
246.06721	6.9
247.11230	7.2
250.09839	19.0
251.10616	14.9
253.12085	2.5
261.09082	100.0
261.11801	5.1
262.09573	4.3
263.10690	3.4
265.12158	35.8
266.12610	2.6
275.10583	13.3
278.09381	6.9
279.10107	26.1
283.13406	3.6
283.16946	7.9
293.11713	68.7
293.14825	3.3
311.12662	36.7
311.16388	28.5
311.25732	3.4
312.32480	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	311.1275
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
65.92967	1.1
69.75853	2.3
69.76210	1.7
97.74387	1.0
139.24632	0.8
151.49544	0.8
165.06946	1.8
166.07748	1.6
167.08559	2.7
179.08524	4.9
180.09320	1.7
189.06929	5.3
189.25681	1.0
190.07578	1.7
191.08536	2.7
193.10178	4.1
194.10889	2.8
195.08047	2.6
195.11523	1.3
202.07782	1.3
203.08536	5.2
204.09303	15.7
205.10098	1.2
207.08000	1.8
209.11516	1.0
209.13309	1.3
218.10611	1.0
219.08269	1.5
219.11652	15.5
221.09668	1.6
222.06783	3.6
222.10248	5.2
223.07535	4.9
223.11151	1.7
229.06416	1.2
229.10091	4.4
231.08058	1.2
232.08862	9.6
233.09540	1.8
235.07576	4.5
235.11183	1.3
236.08075	2.5
237.09103	1.7
237.11334	1.4
247.11151	44.7
247.13722	2.3
248.11441	1.6
249.08981	1.9
250.06088	1.2
250.09993	4.7
251.07001	9.9
251.10683	2.2
259.07608	1.4
260.08282	7.6
263.07010	7.0
264.07727	2.5
265.08588	1.2
265.12158	8.9
275.10648	31.3
276.11014	2.3
278.09360	24.6
279.09641	1.8
283.12439	2.9
293.11694	100.0
294.12021	5.2
311.12753	91.9
311.16174	5.7
312.13159	6.1
312.16376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
56.87241	0.4
63.20123	0.5
69.07055	0.7
73.87469	0.4
83.04952	0.8
129.07001	0.7
143.04851	0.6
157.06491	1.1
165.07018	1.0
167.04910	1.8
168.05701	0.6
171.04428	0.8
173.09540	1.3
178.07785	0.9
179.08527	1.2
181.06491	1.1
183.08037	1.9
185.05963	1.6
193.10085	1.2
194.10899	1.0
195.04347	7.9
195.05745	0.7
195.08026	0.9
195.11653	1.2
197.06026	0.8
201.09071	6.6
204.09180	0.7
207.08087	2.7
208.08809	0.8
209.06012	0.6
213.05412	1.4
219.11562	1.2
221.06003	1.0
221.09601	1.3
222.06741	0.6
222.10439	4.2
223.07642	1.0
223.11061	2.7
225.05493	1.8
225.09167	0.7
232.08864	0.8
235.07520	6.5
237.05457	4.2
237.09077	1.1
237.12723	6.8
240.11418	0.9
241.04956	3.0
241.12219	1.4
247.11201	1.4
249.09076	2.1
250.09874	12.3
251.06978	2.7
251.10214	1.0
253.04926	3.0
253.08557	1.6
254.05440	0.6
255.10135	6.2
265.08829	1.8
265.12222	56.0
266.12671	2.9
268.10928	1.9
269.07687	0.6
269.11664	0.6
270.19977	0.6
275.10458	0.8
278.09363	1.4
283.13266	20.7
284.13599	1.5
293.08023	2.1
293.11725	4.8
296.10648	0.7
311.12747	100.0
312.13101	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	311.127
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
55.05508	0.5
57.07064	2.0
57.12500	0.3
67.05492	1.0
69.07052	0.5
69.67577	1.3
71.04971	0.4
78.28516	0.4
79.05476	0.4
81.07054	0.6
83.04957	0.4
93.07002	0.4
95.08588	0.5
109.10128	0.4
111.04428	1.0
128.06180	0.4
129.07037	0.3
137.90982	0.3
141.06934	0.4
153.05486	1.0
165.07056	0.8
167.08582	0.7
177.05536	0.4
178.07806	0.4
179.08568	1.1
180.09256	0.5
181.12236	0.8
183.08035	0.6
183.11710	0.4
187.11121	0.4
190.07751	1.0
191.08597	0.5
191.10674	0.7
192.09300	0.4
193.10075	0.6
194.07271	0.5
194.10925	0.8
195.08014	1.4
195.11662	0.4
197.09641	0.7
199.07500	0.5
202.07840	0.5
203.08615	0.8
204.09341	1.1
205.10136	0.8
207.07954	1.6
208.08774	1.0
209.09592	1.1
209.11630	5.3
209.13400	0.6
211.07578	0.4
211.11159	0.5
212.08296	0.6
213.05234	0.3
213.12621	0.5
215.10564	0.5
218.07253	0.6
219.08025	0.6
219.11635	1.4
221.05991	0.7
221.09598	0.7
222.06827	1.9
222.10419	2.5
223.07527	3.9
223.11195	1.0
225.09052	0.4
227.07039	1.4
230.05559	0.5
232.08818	1.4
233.09462	0.5
235.07465	3.9
236.08247	2.4
236.11781	0.5
237.09035	1.1
237.11145	2.4
237.12827	2.8
239.07047	1.5
240.07713	0.9
241.08598	1.0
241.12244	1.3
243.06477	2.1
247.11110	3.1
249.09158	2.5
250.06229	1.2
250.09888	5.5
251.06998	5.4
251.10637	4.2
253.08551	1.7
254.05736	1.8
254.09308	0.5
255.06418	0.6
255.12199	0.9
263.06976	1.0
263.10510	0.6
264.07751	1.6
265.08670	2.1
265.12231	17.0
266.12576	0.9
267.06491	5.0
268.07278	24.2
269.07977	3.8
275.10681	6.0
278.09341	8.2
278.12274	0.6
279.09760	0.5
281.08063	10.6
282.08832	12.8
283.09354	1.4
283.13098	2.1
293.11713	17.4
293.14975	0.7
294.11954	1.0
295.09619	0.6
296.10406	12.5
296.13623	0.6
297.10785	1.0
301.95041	0.4
306.54697	0.4
311.12744	100.0
311.15900	3.4
312.13077	6.1
312.16547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
52.64789	0.7
55.05495	1.1
58.07055	0.9
58.35632	0.9
64.79840	0.8
69.07072	6.3
70.01595	1.9
70.01932	1.4
80.01624	0.8
83.04967	3.1
84.35944	0.7
97.06513	2.5
98.23360	1.2
111.55739	0.8
115.05442	8.1
128.06207	1.3
129.07034	2.1
141.06981	16.0
142.07582	0.8
143.04857	1.1
152.06107	0.9
153.06982	3.9
154.07658	1.0
155.04877	2.8
155.08556	11.7
156.09090	1.0
157.06491	7.3
159.08066	5.5
165.06979	5.2
166.07828	4.0
167.08580	2.7
167.10889	0.9
169.06458	72.0
169.07645	7.1
170.06734	1.7
171.60466	0.9
177.07040	0.8
178.07698	2.0
179.04942	7.8
179.08577	4.1
181.06517	1.4
181.10146	4.5
183.07999	2.8
183.11598	1.0
185.05894	1.9
189.07014	1.0
190.07762	2.1
191.08542	9.4
192.09436	1.1
193.06563	1.3
194.07231	1.5
194.10873	1.0
195.08015	3.4
197.05975	12.6
197.09647	1.1
199.07469	1.1
199.11217	1.1
205.10081	1.3
206.10965	7.2
207.08073	1.2
207.11578	1.9
209.09608	7.3
209.13170	1.0
210.10335	0.9
211.07507	2.6
213.05453	1.8
219.08025	8.4
219.11674	1.2
221.09607	1.3
221.13235	2.7
222.06726	2.2
223.07486	5.8
223.11113	2.2
224.08023	1.3
224.11943	1.7
225.12730	2.5
227.07092	1.3
227.14328	2.6
234.10359	3.1
235.03500	0.8
237.05544	1.4
237.09091	18.7
238.06348	1.5
239.14244	6.7
241.12160	1.6
247.07520	5.8
247.11151	1.2
249.08887	1.2
249.12733	7.5
251.07085	5.6
251.10461	2.3
252.11456	3.1
255.13918	5.6
265.08563	17.7
265.12146	2.9
266.09171	1.6
267.06479	3.3
267.13782	56.9
268.07123	1.6
268.14163	2.9
269.08124	1.7
275.10556	1.0
283.06412	1.7
283.09622	7.7
283.13254	12.0
293.07941	3.3
293.11456	1.4
311.05203	3.3
311.09338	4.2
311.12732	100.0
312.08954	0.8
312.13150	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	311.1276
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
57.07062	1.8
58.21336	1.4
69.69094	4.4
71.04991	2.6
74.03987	1.3
79.65079	1.4
81.07066	2.2
98.22737	3.0
142.07843	1.7
165.06995	2.7
167.08571	1.9
178.07782	5.1
179.08546	8.6
180.09341	3.8
181.10013	3.3
185.09593	3.3
189.07005	4.5
190.07753	13.9
191.08525	6.8
193.10048	2.5
194.10878	1.4
195.08064	4.3
195.11676	2.7
196.12212	1.6
198.74718	1.4
202.07848	2.6
203.08554	8.6
204.09296	14.4
205.10091	9.6
207.08002	8.1
208.08803	4.4
209.09631	2.0
211.07585	1.6
217.10175	1.6
218.07372	8.3
219.08173	3.8
219.11652	13.9
221.09590	6.4
222.10359	4.8
223.07515	6.1
223.11131	12.0
225.08963	3.5
227.06967	7.9
228.09247	2.2
229.10078	5.3
231.08096	1.8
232.08829	9.9
233.09630	7.6
235.07520	11.8
235.11131	3.7
236.08266	7.1
237.09140	3.2
237.12692	5.7
241.08676	7.8
243.06450	3.1
247.11147	36.0
248.11516	2.7
249.09126	7.4
250.09892	16.4
251.10646	73.5
252.10898	4.0
253.08600	7.0
257.09717	2.2
259.07520	2.0
260.08255	2.5
263.10629	5.7
264.07739	3.5
265.08661	14.9
265.12131	17.7
267.13763	3.5
273.09088	1.6
275.10620	75.4
276.11053	5.0
277.08578	2.7
278.09366	38.3
279.09842	1.7
281.11758	2.0
283.13297	11.6
293.11682	100.0
294.12027	6.1
294.15176	1.6
311.12802	21.1
311.16153	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
50.41069	1.1
52.74334	1.5
59.05011	7.2
59.05243	1.3
70.37669	1.5
70.38010	2.3
75.85299	1.3
97.56832	1.1
123.23472	1.4
128.06236	3.4
143.08586	2.9
165.06993	2.1
167.08521	2.2
171.08057	2.7
178.07806	5.4
179.08484	7.0
181.10172	1.5
183.08066	1.5
189.06955	7.2
190.07718	3.7
191.08427	3.2
192.09380	6.7
193.10136	5.7
194.07317	1.2
195.08012	2.4
195.11739	1.9
199.07559	10.8
202.07797	4.7
203.08560	7.6
204.09323	31.0
204.11105	2.6
205.06491	2.0
205.09993	3.7
206.07265	2.2
207.08086	13.9
207.11581	6.3
210.28952	1.4
217.10066	1.8
218.10944	1.4
219.08037	3.2
219.11667	26.1
220.08844	3.7
221.09608	9.8
222.06769	1.7
222.10394	4.7
223.07631	2.6
223.11169	6.6
225.05516	2.5
227.07002	34.8
228.07298	1.4
229.10141	4.6
231.08051	2.2
232.08833	16.5
233.09537	6.1
234.10249	1.5
235.07558	15.6
235.11147	18.4
236.08202	3.6
237.09067	1.5
237.12801	2.4
239.06966	3.1
240.07755	4.8
247.11174	60.0
248.08330	2.0
248.11481	3.9
249.09045	10.1
250.09851	29.1
251.06993	3.4
251.10625	25.7
253.08572	8.2
260.08282	5.7
263.10651	28.7
264.07809	1.9
265.09030	7.1
265.12180	13.4
267.10098	4.3
268.07278	3.4
268.10904	3.3
269.07999	2.5
269.11679	11.7
275.10645	97.5
276.11005	4.9
278.09357	5.6
280.10864	5.9
281.11749	12.1
293.11688	36.9
294.12131	1.6
296.10599	2.0
311.12732	100.0
312.13065	5.5
327.60083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
58.18093	0.9
59.04988	0.8
69.07073	0.9
74.14516	0.7
90.74271	0.8
103.82536	0.6
113.45831	0.7
125.10537	0.7
128.06227	1.1
129.79274	0.7
143.08565	1.6
153.06970	1.1
165.06917	4.1
166.07715	1.7
167.08537	4.3
169.10199	1.0
171.08043	4.6
173.09586	1.2
178.07776	1.8
179.08510	7.3
180.09264	2.6
181.06441	1.9
181.10103	2.6
183.08020	2.4
189.06973	2.6
190.07765	3.4
191.08524	2.4
193.10165	1.6
194.10895	5.6
195.08018	2.0
195.11649	3.3
199.07600	1.1
202.07874	1.1
203.08530	5.2
204.09305	11.9
205.09984	1.8
207.08014	3.6
208.08783	2.9
209.09622	2.9
209.13280	6.6
211.07516	2.0
213.12563	0.9
214.06177	1.1
218.07272	2.4
219.08080	1.7
219.11682	12.1
221.09590	2.8
222.10318	5.6
223.07561	1.8
223.11125	8.1
224.08232	1.0
225.09019	1.1
226.67253	0.9
227.06934	7.3
228.09338	0.9
229.10117	3.0
231.08020	1.7
232.08824	8.7
233.09586	1.8
235.07513	5.2
236.08241	3.0
237.08969	2.9
237.12714	33.5
238.13065	1.7
241.08391	0.9
243.06483	4.3
247.11157	28.8
248.11520	1.6
249.09038	1.8
250.09895	7.7
251.06975	2.0
251.10559	2.5
253.08542	2.3
254.09343	7.2
255.10062	2.0
257.09760	1.0
260.08371	4.0
264.07938	0.9
265.08694	3.1
265.12216	32.6
266.05783	0.9
266.12524	1.6
268.10941	6.9
275.10638	33.0
276.11169	2.5
278.09409	4.1
283.13248	38.5
284.13565	2.5
293.11688	42.4
294.12027	2.0
296.10306	1.1
311.12738	100.0
312.13144	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	311.1276
Annotation	Porphyrin
Peak:m/z	Relative Intensity
55.01871	2.0
61.01144	1.0
64.95628	1.0
67.05485	1.2
69.76280	3.4
72.04491	1.6
78.03799	2.5
79.05473	4.6
79.07365	1.0
81.07028	3.5
89.03918	7.0
91.05453	5.7
91.61044	1.0
94.04188	5.4
95.04984	1.4
98.22775	2.3
102.03750	6.9
103.05453	2.1
105.07030	7.1
105.86456	1.2
107.04935	4.3
109.06482	5.2
115.05436	2.6
116.06278	1.2
117.03366	11.1
119.08678	1.0
121.06464	1.5
122.03630	10.7
129.07031	5.6
131.04906	3.1
131.06390	3.1
131.08594	1.4
132.04797	3.4
133.06451	5.3
135.04407	21.1
137.05965	100.0
138.06277	2.5
143.06044	1.2
144.05693	2.8
145.02808	14.8
149.06006	6.2
149.07414	41.6
155.04990	6.7
159.08043	9.8
161.05962	12.6
163.03888	93.1
164.04196	2.2
165.06973	3.6
172.05174	3.5
173.05981	1.1
175.07515	3.8
179.08524	2.2
180.09276	2.6
187.07539	29.4
189.06961	6.4
189.96754	1.0
190.07762	24.3
190.09393	1.9
191.08527	55.5
192.08931	3.2
194.07292	1.9
201.06969	2.3
202.07700	1.7
203.08575	2.6
205.06473	2.3
205.10112	1.4
207.07994	7.5
208.08809	6.1
209.09512	1.3
218.07251	13.2
219.08014	69.5
220.08670	10.3
221.05939	3.1
225.08971	1.2
228.19769	1.1
229.07549	2.5
233.09550	3.1
234.07683	6.1
234.09854	1.5
235.07510	9.0
236.08275	15.6
237.09018	4.0
246.06818	1.7
247.07538	30.2
248.08209	4.1
249.05469	1.4
249.09045	1.2
250.06166	1.7
250.09988	1.5
251.10645	94.5
252.10960	5.2
253.08568	7.2
261.09158	5.0
262.09702	1.9
263.07031	2.6
264.07788	10.7
265.08585	7.4
267.10065	1.8
268.11063	2.4
268.57706	1.0
279.10126	73.2
280.10678	7.6
281.08005	12.4
283.13330	3.0
284.23859	1.1
293.11682	1.8
295.09875	1.3
296.10370	11.8
309.10815	1.0
311.12741	89.7
312.13293	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
53.54605	0.2
55.01858	0.5
61.04348	0.2
67.05511	0.3
69.71004	0.6
69.71345	0.4
76.46384	0.2
79.05495	0.3
81.07062	0.5
91.05469	0.6
93.07044	0.3
94.11425	0.2
95.04955	0.3
95.22871	0.2
98.23441	0.2
103.05450	0.9
105.03348	0.4
105.07034	0.2
107.04930	0.7
111.07314	0.2
115.05408	0.5
116.06200	0.4
117.03368	0.2
119.04942	0.4
121.06458	0.3
123.04417	0.5
128.06221	0.4
129.07013	0.5
131.04921	1.8
133.02837	0.9
133.06458	0.4
137.05972	2.2
141.06955	0.6
142.07755	0.2
144.05675	0.3
145.06438	0.2
147.04395	0.8
149.04903	0.3
149.05995	0.5
152.06197	0.4
153.06966	1.5
155.04929	0.4
157.06479	0.3
159.08047	0.5
161.05994	0.7
165.06960	3.5
166.07761	2.4
167.08522	1.3
168.05737	0.3
168.09308	0.3
169.06439	0.3
176.06241	0.4
177.06992	1.1
178.07771	3.4
179.08537	4.8
180.09216	0.5
181.06462	3.8
181.10048	0.6
182.07188	0.3
183.08150	0.4
184.05098	0.2
187.07494	0.7
189.06966	3.0
190.07758	4.3
191.08514	2.6
192.05722	0.6
192.09032	0.3
193.06459	1.0
193.10068	0.6
194.07248	8.8
195.07999	3.0
196.08820	1.8
198.06721	0.3
202.07773	1.7
203.08514	2.6
204.09290	1.5
205.06467	3.4
205.10083	4.5
206.07233	1.6
206.10776	0.6
207.08046	7.6
208.08754	1.9
209.05962	1.9
209.09621	2.8
210.06740	0.8
211.07527	0.9
213.06979	0.3
214.07790	0.3
215.08554	3.3
217.06442	0.6
217.10106	0.5
218.07248	4.4
219.06026	0.4
219.08025	4.3
220.05130	0.5
220.08737	0.6
221.05956	9.7
221.09415	2.3
222.06712	7.5
222.10120	1.9
223.07520	3.1
223.11028	0.3
224.08293	6.1
225.09030	0.7
229.10054	0.3
231.07933	1.9
232.08800	3.4
233.06018	1.4
233.09569	7.9
234.06728	5.2
234.10306	2.8
235.07510	9.8
236.04562	0.6
236.08261	3.7
237.05415	6.4
237.09079	8.5
237.12810	0.7
238.06142	0.8
238.09702	0.9
239.06937	0.5
239.10681	1.7
243.08054	1.2
245.09586	0.4
246.06689	0.7
247.07521	2.4
247.11259	0.6
248.08263	0.7
249.05478	2.5
249.09052	3.4
250.06221	13.0
250.09837	5.6
251.06915	3.0
251.10640	1.7
251.25240	0.2
252.07777	5.0
253.08467	1.6
259.07388	0.4
260.08273	1.6
261.09079	10.6
262.09818	3.4
263.07028	6.6
263.10156	0.4
264.07761	6.1
264.11411	0.6
265.08566	40.2
265.12012	2.9
266.08984	2.3
267.10147	4.9
268.10703	0.7
269.11328	0.3
270.17856	0.2
275.10565	0.6
277.08636	2.7
278.09341	9.9
279.10049	2.9
280.10861	0.5
283.13211	3.5
293.11694	22.7
294.12021	1.2
296.10028	0.5
311.12723	100.0
312.13049	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	311.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47386	0.9
56.96552	2.3
60.15723	1.0
68.08276	1.0
69.62069	1.0
70.81682	0.9
74.00556	0.9
81.06998	1.1
97.70203	1.0
98.97578	3.1
107.04913	1.3
109.06554	1.1
111.00558	5.3
116.98607	3.8
134.99643	2.1
137.05986	4.2
147.04472	1.1
149.05991	1.2
185.06204	1.1
195.06395	1.3
205.11977	7.6
219.08128	2.3
227.02167	2.5
231.13600	2.6
251.10583	1.8
279.10202	2.4
280.64474	1.2
283.05975	1.3
293.13577	3.7
295.99762	1.4
311.14651	100.0
312.14908	4.0
329.05508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1637
Annotation	Myricarborin
Peak:m/z	Relative Intensity
54.51240	0.9
55.01871	1.3
57.07071	9.5
60.13438	0.8
61.32285	0.9
62.09061	0.7
67.05493	1.2
69.07059	1.1
70.77660	1.4
72.20164	0.9
83.04958	2.3
86.56297	0.8
88.52985	0.8
97.06516	1.2
109.87390	0.8
111.04448	5.1
125.05995	1.3
128.59004	0.8
129.51628	0.9
135.04424	1.1
137.05971	4.2
137.56026	0.7
153.05457	4.7
163.11299	1.0
165.06956	1.9
167.08469	1.6
179.08565	3.1
181.04877	1.1
181.10086	1.0
181.12202	2.5
185.09589	1.4
189.06937	1.3
190.07704	2.2
191.08585	2.1
191.10619	2.8
193.10106	2.3
194.07080	1.3
195.07996	1.9
195.11671	1.9
202.07706	2.2
203.08484	2.6
204.09317	3.9
205.10071	2.4
206.10733	1.0
207.07994	2.8
208.08777	1.8
209.09666	1.9
209.11688	26.5
211.07498	1.6
217.10040	1.1
218.07208	2.0
219.07971	2.0
219.11598	3.9
220.08784	1.7
221.09540	3.5
222.10359	1.9
223.07474	2.2
223.11043	3.1
224.08101	1.3
225.09041	2.9
227.06941	3.6
227.10550	2.4
229.10094	1.6
232.08817	2.2
233.09602	4.5
233.13045	1.0
235.07579	4.7
235.11166	10.1
236.08122	1.3
237.09027	3.1
237.11121	23.2
237.13249	1.7
238.09622	1.5
240.07800	1.8
240.11470	4.1
241.08493	0.9
245.09624	1.1
246.10362	1.1
247.07307	1.0
247.11180	8.3
248.08188	1.0
249.08981	2.4
250.09821	4.2
251.10583	15.1
252.11195	2.4
253.08514	3.7
253.12250	4.7
254.09183	1.3
255.09999	2.7
255.12241	5.2
260.11838	1.4
261.12680	1.4
263.10690	4.2
264.11475	4.3
265.08508	2.9
265.12247	5.4
266.12833	0.9
267.06366	1.0
267.13666	2.1
268.10739	2.9
275.10626	17.4
276.10928	1.3
278.09299	5.8
278.12872	4.0
279.13763	13.9
280.14151	1.2
281.08792	1.2
281.11743	9.5
283.13123	2.1
293.08365	1.6
293.11603	16.7
293.15176	4.1
296.14063	33.6
297.14426	1.4
311.12640	15.5
311.16299	100.0
312.13318	1.3
312.16635	5.4
312.21246	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1639
Annotation	Myricarborin
Peak:m/z	Relative Intensity
55.01864	0.8
55.05502	1.8
57.03426	0.6
57.07063	1.7
58.24916	0.3
67.05480	0.7
68.32196	0.3
69.07062	2.8
69.30320	1.7
71.04989	5.8
71.08623	0.6
79.05494	0.8
81.07051	0.8
83.08632	2.0
84.14834	0.4
95.08633	0.8
97.10155	1.2
109.10117	0.4
111.04437	0.5
115.66889	0.3
135.04419	2.1
153.05467	0.4
161.09607	1.1
198.06747	1.1
199.07541	0.6
209.09804	0.7
209.11613	2.2
211.07478	0.9
213.12685	1.1
223.11244	0.4
225.09094	4.6
227.08456	0.5
227.10646	7.5
228.11090	0.4
237.11220	2.3
239.10681	0.7
240.11401	7.2
241.12294	1.9
253.12234	0.5
255.12285	0.5
265.42371	0.4
267.10077	0.9
268.14465	0.5
293.39795	0.4
311.16370	100.0
311.25894	4.7
312.16684	5.7
312.36032	0.7
330.83118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1639
Annotation	Obtusifolin(coumarin)
Peak:m/z	Relative Intensity
51.02451	2.9
55.05515	5.5
57.07075	13.1
59.04994	6.5
67.05504	7.1
69.07056	6.9
69.19228	20.0
71.04988	7.2
74.45741	3.0
83.04988	4.6
95.08614	5.4
98.22591	5.7
111.04408	4.2
112.92270	3.3
125.05996	5.0
128.06224	4.0
129.07011	5.7
134.39995	2.9
135.04494	3.5
146.92107	3.2
153.05476	8.3
153.06950	4.4
154.07764	3.3
155.08543	9.0
159.08046	4.8
161.09576	4.0
165.07001	10.3
166.07758	6.7
167.08560	5.3
169.06483	5.9
169.10066	7.6
169.57045	3.1
171.08018	5.5
179.08612	16.2
180.09267	6.2
181.06448	7.7
181.10094	8.6
182.07286	3.7
183.08012	19.6
184.08833	5.3
185.09627	6.7
186.10413	3.9
187.07510	6.3
189.07033	4.2
190.07777	8.3
191.10632	4.6
193.10152	7.0
194.11000	4.0
195.08102	10.5
195.11694	6.9
196.08841	3.6
197.05998	8.8
197.09685	8.8
198.06732	25.8
199.07597	12.6
199.11218	12.5
201.09027	5.7
201.12804	8.9
205.10107	6.1
207.08163	5.2
207.11638	4.3
208.08807	8.1
209.05888	3.8
209.09624	19.2
209.11740	30.0
209.13286	3.6
210.06712	6.2
211.07501	39.5
211.11205	12.1
212.08298	9.5
213.09047	10.1
213.12654	4.0
215.10703	4.7
216.11443	4.9
219.11664	10.5
221.09608	9.8
222.10413	11.2
223.07690	4.7
223.11111	22.8
224.08212	7.8
225.09085	44.8
226.09880	4.4
227.07115	7.4
227.10638	79.2
229.12253	49.5
232.08899	6.2
233.09616	10.0
234.46964	3.7
235.07564	9.8
235.11111	7.7
236.08319	5.7
236.11533	3.5
237.09021	5.6
237.10834	25.6
237.13033	9.6
239.10674	54.4
240.11398	23.2
241.08531	7.2
241.12209	12.5
243.10136	78.3
244.10362	6.0
247.11122	22.4
250.09790	16.9
251.10654	31.0
251.14247	13.5
252.11113	3.8
253.12207	61.9
254.12839	7.9
255.10101	100.0
256.10403	4.2
263.10687	5.0
265.12238	52.4
265.15845	10.2
268.11032	8.2
268.14563	6.9
269.11853	8.8
275.10626	19.2
275.14047	3.7
278.09341	11.8
278.12921	4.3
283.13190	6.3
283.17068	5.8
293.11707	46.5
293.15326	35.6
294.12079	4.6
311.12756	28.7
311.16418	68.2
312.32568	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	311.1639
Annotation	Myricarborin
Peak:m/z	Relative Intensity
55.05516	1.2
57.07087	1.1
59.04992	2.7
67.05501	1.1
69.03446	1.5
69.07075	0.5
71.20162	0.5
75.75777	0.4
81.07065	0.6
83.05009	1.7
91.05402	0.5
95.08633	0.6
106.02452	0.4
107.08645	0.6
111.04423	2.9
118.25130	0.4
135.04431	1.4
143.08594	0.7
145.10306	0.5
152.06146	0.5
162.60867	0.5
165.07047	1.4
166.07823	0.9
167.08525	1.0
168.09348	0.7
169.06479	2.5
169.10162	1.1
171.08020	1.2
173.09596	0.7
179.08553	1.5
180.09190	0.7
181.06567	0.9
181.10170	1.4
183.08090	1.2
183.11679	0.5
191.08566	1.0
192.09300	2.7
193.10115	0.6
194.07365	0.6
195.08043	2.2
195.11746	1.3
197.06023	0.6
197.09637	1.7
199.07594	1.3
205.06577	0.6
205.10098	0.9
207.08061	0.9
207.11705	1.7
208.08745	0.7
209.09641	3.5
209.11742	1.9
210.06645	1.2
210.10463	0.5
211.07558	2.2
211.11182	3.3
213.09143	0.9
214.09918	0.7
217.10223	0.8
219.08112	1.0
219.11572	1.0
220.08810	1.3
221.09531	2.9
223.07527	12.5
223.10945	2.6
224.07948	0.7
225.09171	2.5
227.07147	0.8
227.10625	4.6
232.12494	0.6
233.09610	1.5
235.07504	1.9
235.11131	7.1
236.08276	1.7
236.11864	1.8
237.09096	5.4
237.11064	1.1
237.12947	0.8
238.09828	9.8
239.10556	1.5
241.08630	1.4
242.09332	1.3
243.10219	1.5
245.09419	0.5
247.11130	1.1
247.14630	0.6
249.09163	2.2
249.12723	0.8
250.09830	1.9
250.13493	2.3
251.10667	17.0
251.14330	2.4
252.11307	2.4
253.12218	36.8
254.09361	2.7
254.12576	1.8
255.10097	1.6
260.11975	0.7
261.12686	1.6
263.10629	7.8
264.11404	1.1
265.12253	6.7
265.15808	3.0
267.13766	0.6
268.10840	1.3
269.11664	2.2
270.12747	0.6
275.10806	0.5
275.14297	2.5
276.14920	2.9
277.12201	11.2
277.15231	0.8
278.12985	18.5
279.13422	1.1
291.13727	13.2
292.14102	1.1
293.15314	100.0
294.15649	7.0
311.16357	80.7
312.16769	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	311.1641
Annotation	Myricarborin
Peak:m/z	Relative Intensity
55.01874	0.8
55.05498	0.9
57.07067	4.3
59.04995	2.3
63.39468	0.9
69.07052	4.7
70.32825	1.9
75.38669	0.8
80.94872	1.0
81.07051	1.9
83.04998	1.7
93.07042	1.2
95.08646	1.2
111.04447	2.2
128.90927	0.9
129.07018	1.4
131.08589	0.9
141.06952	1.4
142.07838	1.0
143.08508	2.0
153.05466	1.3
153.07045	1.3
155.08585	1.7
156.09314	2.2
157.10109	2.7
163.11230	0.9
165.07002	2.4
166.07703	1.3
167.08549	3.8
169.06392	1.2
169.10110	2.0
171.08061	6.0
171.11746	2.6
178.07729	1.2
179.08568	3.5
180.09378	2.4
181.06511	3.2
181.10101	3.4
183.08104	1.3
183.11702	1.4
185.05972	1.0
185.09518	0.8
190.07771	2.3
191.08479	1.6
191.10748	1.3
192.09334	1.1
193.10088	1.7
194.10800	1.3
195.04366	0.8
195.08095	3.1
195.11668	7.0
197.05983	1.1
197.09618	1.7
197.13226	2.3
198.06728	1.0
199.07579	1.1
199.11209	3.5
201.51004	0.9
204.09300	3.4
205.10156	4.6
207.08081	2.8
207.11707	1.8
208.08810	4.0
208.12383	1.5
209.09605	3.9
209.11746	10.0
211.07513	1.9
217.10191	1.0
218.07298	1.0
219.11707	2.0
221.09558	1.7
222.10342	1.7
222.14061	1.4
222.73535	0.9
223.07635	1.3
223.11166	15.1
224.11473	1.0
225.09077	7.5
226.09782	1.0
227.10710	2.7
232.08768	1.5
233.09579	3.2
235.11163	2.8
237.09067	1.7
237.10988	8.1
237.16380	3.3
239.10687	3.3
240.11420	9.7
241.12196	6.3
247.11150	4.0
250.09679	1.7
250.13626	1.6
251.10736	4.5
251.14336	1.4
253.12260	2.1
254.13042	1.4
255.10037	1.6
255.12323	1.2
255.17442	1.9
261.09103	3.5
265.08835	1.1
265.12241	6.6
265.15811	8.0
267.13620	1.1
268.14554	2.9
269.11786	1.0
275.10648	3.6
278.09363	1.9
283.16907	100.0
284.17230	6.1
293.11719	7.5
293.15253	2.9
310.50998	0.8
311.12735	10.5
311.16409	29.4
312.16730	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03940	2.8
53.89283	2.8
55.01863	34.8
55.05506	52.0
57.03414	3.2
57.07080	19.9
67.05499	38.4
69.03416	6.6
69.07062	25.3
70.04100	3.3
71.04979	12.3
71.08628	3.3
71.42897	3.2
73.85800	3.2
79.05484	51.7
81.03403	4.8
81.07045	76.7
83.04971	37.4
83.08601	28.2
89.72088	3.4
91.05476	31.1
93.07040	34.4
95.04958	19.9
95.08607	31.9
97.06532	38.1
97.10161	44.8
105.07014	34.0
107.04929	6.7
107.08582	100.0
109.06493	12.1
109.10149	14.1
111.04428	18.3
111.08060	6.4
113.05989	18.1
117.07006	5.2
119.08558	13.7
121.06533	5.2
121.10149	13.9
123.08053	7.3
123.11736	3.4
125.05964	12.8
125.09622	69.9
131.08546	12.5
133.10114	13.2
135.04390	3.9
135.08006	4.1
135.11684	12.2
139.11124	7.3
143.08505	4.4
143.10661	3.4
145.10083	13.0
147.11674	7.0
149.09593	8.7
149.13303	3.7
151.11153	4.1
153.05435	14.3
153.09097	4.7
153.12682	15.2
159.11713	7.1
161.09650	3.1
161.13220	5.9
163.11154	17.0
167.10596	6.5
169.10031	4.3
171.11691	3.9
173.13249	3.3
177.12730	10.4
181.04892	4.0
181.12067	14.7
183.11740	3.0
187.11113	6.5
189.11180	30.0
191.10649	13.1
205.12265	8.4
209.09854	5.8
209.11708	70.9
211.13208	3.9
213.12836	3.6
213.14737	5.8
223.13239	17.8
237.11147	48.7
239.18010	3.8
241.12231	7.6
255.12260	10.9
257.18951	8.2
275.20016	68.2
276.20602	3.5
293.17838	3.9
293.21039	51.5
311.16000	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	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03935	1.4
55.01862	2.0
55.05504	64.8
56.05830	1.3
57.03431	25.3
57.07069	29.8
67.05498	10.3
69.07060	75.2
70.57789	1.6
71.08625	15.9
77.23076	0.9
79.05490	6.0
79.60926	1.1
81.07046	13.4
83.04972	1.5
83.08611	60.9
84.08931	1.1
85.06532	1.1
85.10164	6.0
91.05457	1.6
93.07042	7.9
95.08600	10.0
97.06510	5.9
97.10158	41.2
107.08572	5.5
109.10143	4.7
111.08061	4.4
111.11700	11.6
121.10164	8.5
123.11744	1.7
125.09625	2.4
125.13255	3.6
135.11729	7.0
137.13222	2.1
139.11185	1.1
149.13281	3.3
157.69446	1.0
163.14792	1.7
209.11690	1.8
219.21046	1.7
257.70309	1.0
311.25751	100.0
312.26166	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	312.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.2
67.37918	0.2
69.76498	0.7
83.35757	0.2
93.65895	0.2
98.06052	2.8
98.23392	0.3
98.97563	0.4
100.17427	0.2
116.98579	0.2
122.04607	0.4
138.90874	0.2
140.05528	2.2
144.05060	0.3
156.03310	0.6
158.06619	21.0
159.06718	0.9
162.06084	0.2
170.06639	0.5
174.04378	0.8
176.07677	11.1
177.00856	0.9
177.07837	0.4
181.25473	0.2
186.04362	0.6
186.05978	0.3
188.07668	1.6
201.00972	0.3
202.04092	0.6
203.02550	0.2
204.05402	0.3
208.02953	0.2
216.98584	0.3
219.01978	1.3
220.02177	0.2
226.04108	0.6
228.05659	0.6
234.99774	0.4
235.05296	0.3
238.04079	0.4
240.05679	0.8
242.03578	0.4
244.02615	0.4
244.05150	6.7
245.05307	0.6
246.06715	0.9
250.03734	0.2
252.05698	0.5
253.06523	0.3
254.07129	0.2
256.05093	0.9
257.05811	0.4
258.06763	3.8
261.03064	0.4
262.03384	0.2
264.05658	0.4
266.03152	0.2
268.05164	0.6
269.98697	0.3
270.06717	10.7
270.99142	0.2
271.06866	1.0
282.06686	6.4
283.06833	0.5
285.05356	0.4
286.06183	3.7
287.99564	0.3
288.04214	0.3
288.07928	0.4
294.06653	5.7
294.09824	0.3
295.06879	0.6
300.07773	18.3
301.07855	1.5
312.07748	100.0
313.07898	9.4
330.05145	1.0
330.09033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59570	3.4
61.23962	3.8
69.07798	11.1
69.08208	16.4
82.99284	3.4
94.16862	4.0
234.10239	5.2
235.07472	8.1
244.07593	4.0
249.12758	13.3
251.10635	5.3
252.07726	6.0
262.09695	7.1
277.12228	30.7
280.11057	6.9
295.13254	100.0
296.13562	6.7
312.13474	11.0
312.35934	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	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42988	3.8
60.44063	4.8
69.07066	61.8
70.06581	15.9
73.06142	4.3
73.06512	8.3
77.10555	4.2
79.05475	5.0
81.03413	4.5
85.02898	9.4
97.06516	16.7
106.30997	3.5
115.07558	100.0
116.98566	5.7
133.08585	29.3
147.04405	4.9
151.03880	6.1
165.06931	5.0
175.03873	5.8
180.08800	17.6
221.05928	43.2
223.07530	6.9
239.07018	5.5
249.05408	22.3
260.89914	3.9
267.06512	16.9
277.05002	10.5
295.05972	38.3
313.08826	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	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.4
57.03423	7.4
61.02921	10.0
67.05570	2.3
69.03425	19.5
69.07068	14.2
69.82766	7.4
73.02925	3.8
81.03426	12.1
85.02900	100.0
87.04461	4.2
87.08097	22.0
87.72560	2.5
91.03978	7.8
97.02879	26.2
99.04451	4.5
109.02877	11.4
116.95956	2.2
127.03898	27.9
133.08606	4.7
145.04938	47.2
151.03894	32.6
151.04977	2.7
163.06018	9.2
168.06577	3.2
175.03944	5.0
205.06490	3.5
220.09755	5.7
221.05894	16.1
223.07550	4.1
239.07030	3.7
249.05492	10.2
251.07231	4.2
267.06500	9.2
281.05872	5.0
295.05899	16.7
312.11099	3.0
313.06937	4.6
313.12497	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	312.3262
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
54.44666	0.7
55.05261	1.2
55.05509	15.8
57.07068	4.6
58.06586	1.4
62.06078	7.2
67.05495	1.0
69.06706	1.2
69.07059	14.5
69.81444	0.7
71.08607	1.8
74.06079	1.0
81.07032	1.3
83.04979	0.8
83.08618	7.9
85.02922	0.8
85.10176	0.9
88.05190	0.7
95.08592	1.3
97.10162	2.7
99.37129	0.8
125.82739	0.7
153.05501	0.9
163.20135	0.8
171.08095	1.2
179.08623	0.8
183.08081	2.4
184.05145	1.4
195.08014	1.4
198.06714	1.1
199.07524	6.6
207.11867	0.7
210.12015	1.2
211.07538	1.1
212.08145	0.9
213.09215	1.0
219.08070	1.1
221.69467	0.7
225.12776	1.6
227.10709	5.8
237.12842	1.3
238.11487	1.5
241.12157	1.0
243.10136	1.2
252.11488	0.9
253.12300	1.0
265.66251	0.7
269.15469	1.4
271.13196	0.8
294.31549	2.7
295.16873	3.4
312.13248	1.9
312.16647	1.2
312.32574	100.0
313.14151	1.2
313.17725	2.0
313.32809	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	312.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.7
57.03433	3.0
57.07072	14.8
58.06599	2.0
60.08159	26.0
66.65186	0.4
66.66331	0.4
67.05491	1.5
67.67533	0.4
69.07062	3.6
71.08620	7.3
79.05471	0.7
81.07053	2.8
83.08604	2.7
84.26904	0.5
85.10167	3.4
95.08583	3.2
97.10149	1.6
98.10489	0.9
106.44422	0.4
108.41097	0.4
109.10174	1.5
123.11710	0.9
135.04340	0.5
140.52144	0.4
210.12106	0.6
238.11543	0.7
239.23894	0.5
257.24686	0.8
285.97034	0.4
312.11487	1.0
312.26343	3.1
312.36197	100.0
313.21701	0.7
313.27347	9.7
313.33066	0.7
313.36511	6.0
324.95151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	20.5
70.98083	1.0
71.95217	0.8
84.08112	0.8
91.05456	1.3
97.96810	2.0
98.06047	2.2
98.97577	100.0
99.97897	0.9
110.97530	0.8
112.07633	0.9
116.98614	73.2
119.04951	1.8
126.18861	0.6
134.99644	38.5
136.06175	1.3
137.05968	3.7
147.04398	4.3
151.03966	1.9
153.00658	4.6
156.03296	1.3
158.01349	1.1
158.06628	5.9
159.06714	3.8
160.02785	0.9
160.06526	1.1
165.07199	0.9
171.09834	1.0
172.94469	0.9
174.04442	0.9
174.97687	1.3
176.06355	1.2
176.07675	4.3
177.01111	1.6
177.07942	2.6
178.03844	0.8
179.00380	2.7
186.04430	1.5
192.98822	1.6
193.99017	1.0
195.03447	1.3
197.01202	4.0
198.02051	1.6
204.05574	0.9
208.00591	2.2
211.01071	1.2
211.02950	3.0
212.00069	1.2
213.04340	5.1
216.98949	1.3
219.02216	2.3
220.02405	0.9
221.05952	8.8
223.03014	2.7
226.01509	7.9
232.96700	1.4
235.00484	2.1
235.02762	34.1
236.00154	1.1
236.03447	0.9
236.99808	1.0
238.01698	1.1
239.07246	1.3
241.03827	9.0
244.02899	2.8
245.05588	2.5
246.05222	1.0
249.05399	5.4
253.03827	30.9
254.04413	1.4
256.02655	1.3
258.97665	0.9
259.00116	3.3
259.05307	2.6
261.03345	1.1
263.03027	0.7
265.03821	7.6
267.06531	3.4
270.92078	1.4
271.05203	11.3
271.07358	2.8
272.06854	1.0
277.00876	3.8
277.05319	1.1
283.05264	8.7
287.06641	1.1
288.92603	2.0
289.95453	0.8
290.95230	2.3
295.05573	15.3
296.06754	1.0
301.07916	8.3
302.07977	2.2
307.96448	0.9
313.08401	42.0
314.07617	12.3
331.03033	0.7
331.06668	3.9
332.05032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0701
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
55.01876	1.3
56.78516	1.0
65.66810	1.1
65.78795	1.0
67.05470	1.0
67.50424	0.9
70.93414	1.3
71.01350	20.4
71.77799	1.0
95.04955	2.2
123.04415	26.3
125.67381	1.0
126.81351	1.1
135.61987	1.1
137.02350	17.0
141.06956	1.3
147.04366	9.0
151.03865	4.4
152.06209	1.8
155.08597	1.1
163.03949	2.3
165.06981	20.3
167.08540	1.9
169.06470	1.6
175.03928	5.7
175.67303	1.1
176.06180	6.0
177.06953	6.0
183.07985	2.7
193.06459	12.8
194.07118	1.5
195.08064	3.5
197.05957	54.9
198.06342	2.5
204.05637	1.0
205.06464	31.4
206.06876	1.9
210.06708	1.2
211.07518	15.8
221.05946	61.3
222.06429	3.8
223.07509	64.4
224.07832	3.6
225.05449	45.4
225.07719	1.6
226.05644	1.3
233.05963	30.3
234.06435	1.7
237.05333	1.1
239.07005	31.8
240.07440	2.1
242.05797	2.0
243.06506	61.8
244.06877	1.7
249.05443	54.4
250.06136	11.3
251.07002	50.1
251.09668	1.5
253.04950	5.5
257.08115	6.6
266.05725	2.0
267.06494	64.2
268.06992	7.2
269.07962	4.4
271.05969	3.9
277.04962	29.8
285.07550	48.6
286.07669	1.7
295.05975	46.8
296.06351	3.1
313.07019	100.0
314.07321	3.8
335.53873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0702
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
53.79647	1.1
55.01852	2.4
58.06595	1.5
65.70545	0.9
71.00996	1.6
71.01349	15.3
81.03407	2.7
95.04977	1.4
119.04911	1.6
123.04420	20.1
125.92554	0.9
131.04947	1.5
137.01280	2.1
137.02338	37.4
137.03412	3.3
138.02542	1.1
141.06943	2.3
143.99001	1.0
147.04382	8.1
151.03893	4.4
152.06226	1.1
153.06911	1.5
159.04440	4.2
163.03836	1.9
165.06990	19.3
167.08519	2.5
169.06433	5.3
175.03882	4.8
176.06171	5.9
177.06950	7.1
181.06442	1.1
183.08032	2.5
185.44208	1.0
193.06458	15.6
195.08058	4.9
196.45593	1.0
197.05956	49.3
198.06377	2.4
203.04875	1.2
204.05750	1.3
205.06470	26.6
210.06670	1.4
211.07506	14.0
215.07001	7.3
221.05946	48.0
222.06509	2.9
223.07516	50.5
224.07895	3.2
225.05429	28.9
226.05786	1.1
233.05977	20.6
234.06490	2.1
239.06995	27.5
240.07411	1.7
241.08717	2.3
242.05736	1.2
243.06500	41.1
244.06802	1.0
249.05455	49.2
250.06136	6.8
251.06998	36.9
252.07394	1.8
253.04990	6.7
257.08102	4.6
260.67010	1.1
267.06500	54.3
268.07056	5.3
269.08026	4.1
271.05988	16.7
277.04935	22.7
285.07547	46.0
286.07886	2.4
295.05975	39.3
296.06384	2.0
313.07022	100.0
314.07544	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0703
Annotation	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
51.02372	1.2
51.94852	0.3
53.03947	0.3
59.09839	0.3
65.03942	0.6
67.05486	0.9
69.08176	0.9
69.08584	1.0
77.03925	2.4
79.05469	1.6
81.03414	0.6
89.03910	4.5
90.44356	0.3
91.05472	2.7
95.04960	2.9
101.03899	0.6
105.03384	3.4
105.04511	0.9
107.04949	1.8
117.03363	3.8
118.61660	0.3
123.04417	100.0
124.03990	0.3
124.04709	1.5
133.02826	3.3
135.04407	11.3
137.02356	2.7
137.03384	0.4
145.02824	2.1
147.04407	0.4
151.03859	1.6
152.04614	0.5
158.03627	0.4
161.02432	0.4
163.03877	5.9
165.06985	1.6
173.02332	0.6
175.03825	0.8
187.03915	0.6
191.03371	70.8
192.03723	1.7
193.06433	0.9
197.06136	0.4
204.04114	2.6
205.04912	1.3
211.07512	0.3
221.05974	1.9
223.07555	0.6
232.41673	0.3
239.06984	0.9
243.06418	0.3
244.57091	0.3
244.79967	0.3
247.96944	0.3
249.05455	1.4
267.06522	3.1
271.59128	0.3
277.04813	0.5
295.06027	2.9
312.25034	1.2
313.07022	69.9
313.25446	0.7
314.07425	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	313.0703
Annotation	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
50.03802	0.4
51.02370	1.0
61.87440	0.4
67.05499	1.8
69.07041	1.2
74.68199	0.4
77.03933	1.4
79.05476	1.9
81.03410	0.8
89.03914	4.6
91.05468	2.4
95.04956	3.9
97.06544	0.6
98.97573	0.9
105.03368	2.6
105.04507	0.7
107.04954	1.0
109.02893	0.9
117.03375	3.8
119.04937	0.6
123.04413	100.0
124.04758	1.8
131.04893	0.5
133.02849	5.3
135.04398	12.1
137.02342	5.4
137.03375	0.7
137.13190	0.5
141.06967	1.7
145.02803	2.9
146.70407	0.5
147.04369	0.9
151.03905	2.9
152.04678	1.3
153.06918	0.4
153.16750	0.4
155.08534	0.5
161.02274	0.7
163.03882	8.8
165.07001	2.1
169.06392	2.3
173.02345	0.5
175.03819	0.5
187.03889	0.9
188.63327	0.5
191.03365	74.8
192.03740	2.1
193.06490	1.3
197.06007	2.5
197.07610	0.5
198.06778	0.7
204.04121	2.4
205.04877	1.0
209.09583	0.7
211.07530	1.1
221.05983	2.8
223.07457	0.6
225.05426	5.0
233.06000	0.6
237.09111	0.6
239.07005	1.6
249.05458	1.9
251.07027	0.9
252.11417	0.6
253.12204	0.6
255.10170	0.7
262.09802	0.6
267.06448	3.7
267.13672	2.8
267.24823	0.5
268.14096	0.5
277.04901	0.9
290.94839	0.5
295.06021	5.3
295.13208	11.6
295.16302	0.8
312.25082	5.5
313.07013	81.3
313.25397	1.9
314.07370	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	313.0702
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.02369	1.1
53.03960	0.7
61.65364	0.7
65.03926	1.4
66.30992	0.6
67.05498	1.0
69.30166	0.6
71.42570	0.6
71.42946	0.6
71.93688	0.6
73.38765	0.6
77.03921	1.8
78.63998	0.6
79.05484	2.1
81.03442	0.9
81.83907	0.6
89.03906	3.0
91.05466	3.0
94.48873	0.6
95.04966	4.1
98.97581	1.4
101.07059	0.6
105.03391	3.4
105.04494	1.1
107.04909	0.8
109.02880	1.0
110.03646	1.0
117.03377	2.5
119.04930	1.2
123.04420	100.0
124.04781	2.3
133.02840	2.2
135.04404	12.4
137.02345	6.1
137.03378	1.1
141.06960	1.4
145.02859	1.8
147.04434	1.5
151.03883	3.5
151.04916	0.6
152.04625	1.9
153.07018	1.6
155.08551	1.8
157.10158	1.2
163.03870	5.2
163.15031	0.7
165.07010	6.1
166.07780	2.8
167.08543	2.6
168.09393	0.6
169.06427	3.5
169.10175	2.7
169.40331	0.7
173.02467	0.8
175.03928	3.3
178.07768	3.7
179.08540	3.5
180.09164	1.4
181.06506	0.9
181.10083	5.8
183.08020	2.1
183.11632	1.8
183.45357	0.6
185.09596	0.8
187.03886	1.0
189.06819	0.7
191.03375	80.4
191.08524	2.0
192.03732	1.9
192.09277	0.8
193.06461	2.2
193.10085	8.1
194.07225	1.3
194.10863	2.4
195.08076	2.9
195.11749	2.3
197.06064	1.4
197.09634	1.1
203.08484	1.4
204.04240	2.5
205.04851	1.0
206.07416	0.8
207.08083	2.2
208.08856	1.9
208.12462	3.9
209.09624	6.8
209.13123	0.8
210.14223	0.9
211.07542	1.9
213.09077	2.3
219.07986	5.4
220.08839	0.8
221.05927	3.8
221.09593	6.7
221.13168	1.1
222.10362	2.9
223.07523	1.5
223.11172	1.2
223.14819	4.4
225.05522	1.0
225.16359	1.6
229.08534	0.6
233.13271	2.3
234.10416	0.8
235.11285	0.9
236.11884	2.9
237.09117	1.7
239.07025	2.0
239.10605	0.8
243.06613	0.7
247.07521	5.9
249.05470	2.5
249.09105	5.7
249.12726	4.2
251.07071	1.0
251.14291	27.2
252.14813	0.9
253.04971	0.8
253.08748	0.8
265.08472	2.2
267.06671	4.1
267.10150	4.3
267.13730	2.1
269.07913	0.9
269.15356	2.5
277.05557	0.8
277.08878	3.1
277.12210	2.8
280.10947	13.3
281.11475	0.8
282.59189	0.6
285.07678	0.7
290.94638	0.8
295.06061	8.0
295.09641	2.3
295.13150	9.9
312.23535	1.0
313.07031	88.1
313.14285	19.0
314.07379	4.3
314.14551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0706
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
53.18444	0.3
55.01860	0.4
56.96526	0.5
65.03914	0.8
67.64577	0.4
69.03392	0.5
81.03378	1.2
85.02882	0.6
91.05445	1.3
95.04982	0.6
97.02885	1.0
97.67559	0.4
98.23402	0.5
98.97542	1.6
109.02885	0.6
111.04417	1.5
116.98629	1.9
119.04960	0.8
123.04409	2.4
129.03377	0.8
131.04936	1.2
133.02827	0.7
134.59204	0.4
134.99637	0.8
136.06165	1.7
137.02339	2.4
137.05960	0.5
139.03844	1.3
141.06943	0.5
147.04399	11.6
151.03914	4.2
151.05042	0.8
152.06184	0.7
153.06952	0.4
157.02815	2.4
159.04411	0.5
160.05238	2.0
161.05995	0.5
165.07002	8.7
167.08527	1.5
169.06534	1.2
175.03909	19.6
175.05341	1.0
176.06131	2.6
177.06982	6.4
178.07623	0.5
181.06485	2.6
183.07980	0.9
191.10237	0.4
192.05698	0.6
193.06479	7.9
194.07220	0.4
195.08032	2.1
197.05952	2.3
203.03355	3.2
203.04977	1.3
205.06477	12.0
206.07036	0.5
211.07510	4.3
213.75050	0.4
215.07033	0.7
220.05122	1.4
221.05954	100.0
222.06331	4.3
223.07526	18.7
224.07854	0.8
225.05432	1.1
229.98167	0.4
233.05951	3.8
234.06677	0.5
237.05537	0.6
238.06253	0.4
239.07018	13.7
240.07333	0.6
241.08632	0.5
243.06487	0.5
248.04643	0.7
249.05458	61.6
250.05991	3.4
251.06993	13.9
252.07455	0.5
253.04794	0.5
257.08170	3.5
266.05756	4.1
267.06503	39.5
268.07022	2.8
269.08041	5.0
277.04941	22.1
278.05453	1.3
285.07544	9.8
286.07770	0.5
290.94727	1.5
295.05994	92.5
296.06320	4.1
313.07089	5.6
313.10507	0.8
313.16220	3.2
313.19647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0703
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
55.01860	3.1
61.96686	1.4
67.16151	1.1
70.50172	2.4
71.01349	17.7
73.56599	1.3
81.03416	3.1
87.97412	1.2
91.05495	1.7
109.02887	2.1
120.08084	5.0
123.04411	21.7
131.04903	2.7
135.22804	1.3
137.02347	48.9
137.03444	5.8
141.06947	2.4
147.04416	6.9
151.03900	23.9
151.05054	2.8
151.07600	1.5
152.06160	3.8
154.46642	1.4
155.08507	2.0
159.04424	3.9
163.03882	2.7
165.06989	24.9
167.08554	2.5
168.05664	1.5
169.06447	6.8
175.03882	5.3
176.06206	5.2
177.06993	9.6
181.06415	1.9
183.08035	2.9
193.06473	19.4
194.06996	3.6
195.08112	6.4
195.10107	1.2
197.05963	50.9
198.06244	1.6
205.06476	29.8
210.06703	2.0
211.07533	17.0
215.06992	10.0
221.05957	68.6
222.06459	3.9
223.07513	65.8
224.08060	3.5
225.05432	32.1
233.05923	23.0
234.06476	1.6
238.06114	1.9
239.07005	34.8
240.07614	2.1
240.79317	1.4
241.08542	2.9
242.05713	2.9
243.06500	42.1
244.06967	1.5
249.05472	55.7
250.06114	6.1
251.07014	39.3
253.05000	9.0
257.08069	4.5
266.05753	2.2
267.06506	63.5
268.07120	6.6
269.08057	6.9
271.06021	16.7
277.04922	23.8
285.07532	43.9
295.05954	43.3
295.08508	1.5
296.06229	2.7
313.07037	100.0
314.07431	3.8
333.17847	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0703
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
53.03934	3.4
55.01863	6.5
55.05511	16.4
57.03429	11.3
62.70861	1.2
63.07802	1.2
65.03927	3.3
66.88039	1.1
67.05502	11.7
68.99781	2.9
69.03426	26.4
69.07064	10.8
69.07864	8.5
71.01354	17.3
71.04987	8.8
79.05498	10.5
81.02965	1.6
81.03414	28.2
81.07047	13.6
82.04192	6.3
83.04973	14.7
83.08623	6.4
85.02892	13.7
87.00831	2.6
89.03860	1.1
91.05469	24.9
93.03371	1.9
93.07038	17.2
94.04174	1.8
95.04964	10.7
95.08602	15.6
97.02888	9.8
97.06519	4.7
97.73517	1.1
99.04444	2.0
99.08095	1.9
103.05470	2.0
105.04504	1.3
105.07006	4.9
107.04937	4.4
107.08607	6.2
109.02850	5.3
109.06496	3.5
109.10153	1.8
111.04424	9.4
111.08072	37.0
111.08832	2.1
113.09640	4.1
115.05448	2.3
117.03365	1.0
117.07013	4.6
117.23891	1.2
119.04935	12.7
119.08559	2.5
121.06498	4.7
121.10107	2.8
122.03677	3.0
123.04423	21.1
123.08046	7.3
125.02312	1.6
125.05988	2.8
125.09603	1.0
127.03916	3.9
127.07558	3.2
128.06198	4.4
129.06998	11.9
131.04903	2.7
131.08501	1.7
133.06468	1.7
133.10149	1.4
135.04434	1.8
135.08047	11.1
136.05229	1.3
137.02351	54.5
137.03453	5.9
137.05957	32.2
137.09592	3.0
138.06354	1.3
139.07539	30.9
139.11137	1.6
141.06998	2.7
141.09096	17.2
145.06499	2.3
145.10161	2.3
147.04391	8.0
147.08134	2.4
149.05969	2.1
149.09613	3.5
151.03906	48.9
151.05008	3.2
151.07544	48.4
152.06137	2.5
153.06993	2.3
155.08592	1.4
157.06500	7.1
159.04411	4.3
161.05977	1.5
161.09628	2.0
163.03915	9.6
163.07512	2.4
163.11182	3.0
165.04495	1.9
165.06981	24.1
165.09146	2.6
167.07191	1.5
167.08586	4.3
167.10710	1.4
169.04964	3.0
169.06467	8.4
174.06799	4.0
175.03862	4.7
175.05257	1.1
175.07555	2.4
176.06227	5.3
177.06889	8.4
178.07642	2.0
179.10718	1.9
181.06430	2.5
183.07944	2.2
189.09105	25.4
191.08847	1.2
191.10591	6.7
192.09004	1.2
193.06471	21.4
193.10120	1.7
194.07127	1.9
195.08054	5.4
197.05963	46.6
203.04935	2.1
203.08521	1.4
205.06459	30.5
206.07021	2.1
207.10101	2.2
209.11703	24.5
210.06790	2.1
211.07523	14.8
213.05399	1.3
215.07004	7.7
221.05966	62.0
221.09546	3.8
222.06534	4.2
223.07527	55.6
224.07941	2.9
225.05452	33.3
226.05962	2.5
233.05966	21.4
234.06570	2.6
239.07002	28.3
240.07420	2.1
241.08566	3.9
242.05708	2.5
243.06503	40.0
244.06892	2.0
249.05455	52.9
250.06134	7.8
251.07013	35.6
252.07462	1.4
253.04961	8.3
253.12122	3.5
257.08078	5.6
267.06506	55.9
268.07132	6.3
269.08035	9.2
271.06006	22.3
277.04932	18.3
281.11536	4.2
282.99475	1.5
285.07556	46.0
285.10779	2.3
286.07739	1.8
295.05930	38.1
295.11526	23.8
295.47644	1.2
313.07034	100.0
313.14355	18.2
314.07413	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	313.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
52.03156	0.3
52.71829	0.3
53.03948	2.0
55.01868	0.9
57.03425	1.2
57.07045	0.3
62.33499	0.3
65.03938	3.6
67.05496	1.4
69.03063	0.4
69.03423	5.8
71.01348	0.5
71.04978	0.5
73.02896	0.6
77.03913	0.4
81.03411	17.6
81.07031	0.3
82.03758	0.4
85.02901	5.9
91.05465	0.5
93.03410	2.7
95.04954	1.5
97.02874	1.7
98.97525	0.3
99.04447	2.2
100.11234	0.4
105.07027	0.6
106.90307	0.3
107.08523	0.3
108.02080	2.5
109.02875	8.0
110.03687	0.8
111.04424	5.9
123.04414	1.9
125.05986	3.0
127.03896	2.2
133.02803	0.4
136.01555	0.3
137.02393	1.4
137.05972	1.1
141.05452	2.5
147.04385	0.6
151.03899	100.0
151.04997	9.2
152.04245	2.8
163.04001	0.6
165.07025	1.6
169.04959	5.7
175.03870	1.0
177.07011	0.4
179.10648	0.3
193.06480	1.2
197.06024	0.8
205.06522	1.1
211.07510	0.8
221.05960	8.3
222.06441	0.5
223.07553	1.9
225.05400	1.1
239.07010	1.8
243.06520	1.0
248.62639	0.3
249.05428	6.2
250.05826	0.3
251.07072	1.6
253.07011	0.5
257.08130	0.5
263.08231	0.3
267.06479	3.4
269.07968	0.6
271.05972	0.4
277.04904	3.6
278.05399	0.5
285.07501	2.0
295.05728	4.1
295.08603	11.9
295.15286	0.5
296.06042	0.5
296.08893	0.4
313.06705	3.7
313.19955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
52.03179	0.5
53.03928	1.1
55.01857	1.1
57.03418	0.9
65.03938	4.0
67.05496	1.6
69.03421	3.7
69.39257	1.6
71.01362	0.6
71.04998	0.5
73.02900	0.5
74.18692	0.3
77.03928	0.4
80.39422	0.3
81.03409	8.8
81.07030	0.5
85.02893	5.0
89.03860	0.5
91.05463	0.4
93.03399	2.0
95.04961	1.7
95.08614	0.5
97.02878	1.4
97.39126	0.4
98.37497	0.4
98.97546	0.6
99.04446	0.7
108.02074	1.9
109.02864	4.5
110.03704	0.6
111.04442	4.8
116.98604	0.4
117.03352	0.6
119.04938	0.4
123.04424	4.3
125.05989	3.5
127.03912	1.4
129.06967	0.4
131.05014	0.5
133.02849	3.8
135.04427	0.8
137.02353	2.1
137.03316	0.4
137.06059	0.6
141.05467	2.6
141.06422	0.4
141.06943	0.4
141.22023	0.4
145.02852	1.1
147.04364	0.5
151.03894	100.0
151.04971	7.3
152.04234	2.3
155.08539	0.7
157.06462	0.8
163.03879	6.8
163.05144	0.6
165.06931	1.8
167.08525	0.9
169.04944	6.2
169.06329	0.4
169.10240	0.4
177.05495	0.7
178.07739	2.8
179.08522	1.1
183.08061	0.7
185.05905	0.6
189.09132	0.4
191.08533	0.4
193.06454	1.2
193.10118	2.6
195.07997	0.6
197.05978	1.9
197.09592	0.6
203.08571	1.0
205.06517	0.7
206.07315	0.8
207.08064	1.2
209.09625	0.8
211.07515	1.5
215.06996	0.7
221.06026	1.9
221.09555	5.7
222.09962	0.6
223.07503	2.1
225.05458	1.1
225.09029	1.0
227.06935	0.6
234.06580	0.4
235.07449	1.2
237.05481	0.5
237.09029	0.5
239.07129	1.7
239.10585	2.6
240.07744	0.6
241.08455	0.4
243.06493	1.0
249.05537	1.3
249.09067	4.4
251.07022	1.7
253.08606	2.9
254.09444	0.8
266.09445	0.4
267.06564	2.6
267.10178	6.4
269.08054	2.7
271.05960	0.7
271.09586	0.5
274.82794	0.4
277.08578	1.1
278.10980	0.6
283.09641	0.5
284.10361	0.4
285.07590	1.2
285.11157	0.9
295.07944	5.8
296.09708	0.4
313.07034	5.4
313.10654	10.3
313.14371	1.0
313.17993	0.6
314.10852	0.5
314.14050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01856	1.3
57.03435	0.6
57.07042	0.6
61.02900	0.5
62.83295	0.4
64.65144	0.5
65.03934	4.7
67.05488	2.4
69.03422	5.6
70.06587	0.8
70.97802	0.8
71.04953	0.7
77.03942	0.6
77.24785	0.4
81.03412	16.4
84.08141	1.6
85.02895	6.8
86.00661	1.0
86.03226	0.7
91.05472	0.6
93.03394	2.5
95.04963	1.6
97.02874	2.6
98.97566	1.2
99.04451	1.7
108.02104	2.0
109.02871	6.4
110.03660	1.1
111.04427	6.6
115.48502	0.5
116.98669	0.6
123.04396	1.7
123.06803	0.8
125.05959	4.0
126.01099	1.6
127.03916	2.1
136.16226	0.4
139.03935	0.5
141.05428	2.9
147.04375	2.5
150.05482	1.1
151.03897	100.0
151.05003	10.3
152.04225	3.1
152.07047	1.4
157.02837	0.9
160.05234	0.6
164.07077	0.6
165.06964	3.0
166.03230	1.1
168.06602	0.8
169.04945	4.8
169.06308	0.9
175.03926	3.7
176.06270	1.0
177.06990	2.1
180.04802	1.7
181.06418	1.0
184.74742	0.5
193.06473	2.7
195.07945	0.9
197.05959	1.1
203.03355	0.8
203.05075	0.5
205.06450	3.4
211.07570	1.7
221.03893	1.0
221.05934	28.5
222.06363	1.8
223.07486	6.4
233.06009	1.0
235.84920	0.5
237.06989	0.8
239.07043	4.0
243.06439	0.6
249.05447	16.2
249.07916	1.0
250.05844	1.0
251.07040	4.4
257.08170	1.0
266.05713	1.4
267.06497	11.8
268.07047	1.1
269.08197	1.5
277.04956	6.7
278.05472	0.6
281.05896	3.4
285.07455	2.9
290.94745	0.8
295.05621	21.9
295.08575	4.1
296.06348	2.0
313.06918	1.0
313.12686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01859	1.0
57.03427	1.0
65.03934	5.0
67.05500	1.9
67.71593	0.3
69.03426	6.5
70.84909	0.3
71.01354	0.3
71.04987	0.6
73.02905	0.8
77.03905	0.4
81.03410	18.9
82.03730	0.5
85.02894	5.2
85.91237	0.3
91.05480	0.3
93.03398	3.1
95.04964	1.8
97.02885	1.8
99.04446	2.1
108.02076	2.8
109.02867	6.8
110.03681	0.6
111.04436	5.8
123.04401	0.3
125.05975	3.1
127.03902	1.9
136.01547	0.6
137.05946	0.8
141.05458	3.1
147.04369	0.6
151.03897	100.0
151.04994	10.1
152.04214	2.7
161.45627	0.3
165.01842	0.4
165.06963	0.5
168.04190	0.4
169.04959	5.6
175.03860	2.0
177.06941	0.3
187.74306	0.3
189.09218	0.5
205.06531	1.0
211.07535	0.5
221.05943	1.5
223.07574	2.1
233.06244	0.3
239.06950	0.4
249.05423	1.6
251.07092	1.5
253.07173	0.4
267.06509	0.9
269.08148	0.8
277.04907	0.7
285.07471	0.5
295.08292	12.2
296.08429	0.6
313.06735	0.7
313.09869	0.5
313.16299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96913	0.4
53.03941	2.6
54.40406	0.4
55.01863	2.2
55.05503	1.0
56.37570	0.4
57.03421	1.3
58.02958	1.2
58.55173	0.4
65.03942	3.2
66.05374	0.4
67.05500	1.9
69.03419	6.2
71.01349	0.5
71.04991	0.9
72.04504	0.8
73.02905	0.7
81.03411	17.5
84.04489	1.5
85.02899	6.4
85.08417	0.4
91.05520	0.5
93.03410	2.5
95.04962	1.4
95.08607	1.5
97.02895	2.6
98.97591	1.9
99.04443	1.9
100.11243	2.1
108.02072	2.4
109.02870	7.2
110.03685	0.5
111.04441	5.0
114.09180	3.5
116.98615	2.0
123.04427	1.5
125.05967	3.2
127.03928	2.0
134.99651	1.3
136.01527	0.7
137.02348	1.1
141.05490	2.2
142.08640	2.1
146.68970	0.4
147.04390	0.9
151.03900	100.0
151.04993	8.9
152.04230	2.9
154.12244	1.3
155.08510	0.5
155.12570	0.8
165.06969	3.0
166.07574	0.5
167.08551	0.8
169.04959	5.8
169.06345	0.5
171.14897	0.9
175.03943	1.8
176.06213	0.9
177.06952	1.0
178.07718	0.5
189.09065	0.5
193.06467	1.7
193.10068	0.5
195.08067	0.9
197.05984	2.5
205.06525	3.1
206.07208	0.4
211.07558	1.2
213.05461	0.8
213.09145	0.5
221.05986	6.5
221.09712	0.6
223.07507	10.6
224.07927	0.5
225.05455	3.0
233.06020	1.0
239.06995	2.8
241.08607	0.8
243.06558	1.6
249.05452	5.2
250.06038	0.7
251.07010	5.5
253.04929	1.8
257.08105	0.6
267.06546	6.1
267.09460	0.7
269.08032	1.0
277.04898	0.7
281.18680	0.5
282.18790	0.9
285.07330	2.3
290.94785	1.5
295.05576	2.4
295.08493	10.6
295.16956	0.9
312.22733	0.7
313.06998	4.0
313.10126	0.8
313.17914	0.8
313.23151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01853	2.0
57.03427	0.5
65.03935	3.0
67.05488	1.0
69.03424	4.9
69.48168	1.9
70.75315	0.5
71.01344	1.5
71.04984	1.2
73.02911	0.8
74.36356	0.5
77.03892	0.5
81.03410	16.2
85.02883	4.0
88.32819	0.5
91.05478	1.4
93.03401	2.7
95.04947	0.9
97.02881	1.8
98.23397	1.0
99.04449	1.5
108.02070	1.4
109.02872	7.9
111.04443	4.1
119.04906	0.8
120.08109	0.8
123.04419	2.4
125.05973	3.0
127.03923	2.6
128.06163	0.6
137.02315	5.3
137.05984	2.2
141.05470	1.7
147.04359	1.0
151.03896	100.0
151.04979	7.6
151.07401	2.4
152.04218	2.2
165.06993	2.8
169.04962	4.7
169.06355	1.0
175.03828	0.8
176.68906	0.5
177.07004	1.5
189.09154	1.3
193.06517	1.8
197.05974	4.8
205.06491	2.5
211.07520	2.5
215.06987	1.0
221.05962	11.3
222.06392	0.8
223.07545	7.8
223.09625	0.9
225.05415	3.4
233.05966	2.9
234.53606	0.7
239.06979	4.2
243.06496	4.8
249.05464	9.0
250.06114	1.4
251.06999	5.1
252.07426	0.5
253.04961	0.8
257.08142	1.2
267.06500	7.2
268.07031	0.7
269.08105	2.3
271.06009	2.0
277.04922	4.4
285.07565	6.8
295.05826	6.8
295.08176	9.2
313.06989	13.8
313.14615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03151	0.3
52.58754	0.2
53.03941	2.2
55.01865	1.0
57.03437	1.4
61.02926	0.4
64.52510	0.2
65.03934	4.0
67.05502	1.7
69.03423	5.8
71.01336	0.7
71.05003	1.1
73.02916	0.6
77.03905	0.5
81.03410	18.1
82.32223	0.2
83.28072	0.2
85.02899	6.4
93.03398	3.6
95.04970	1.5
97.02885	2.4
98.23439	0.6
98.97575	0.5
99.04456	1.9
105.04511	0.3
108.02105	2.3
109.02876	7.3
110.03649	0.7
111.04442	4.0
123.04424	0.6
125.05982	3.2
127.03893	2.1
136.01552	0.4
137.02341	0.4
137.05952	0.4
141.05444	2.6
151.03897	100.0
151.04990	9.2
152.04221	2.3
165.07063	0.4
167.20230	0.2
169.04961	5.1
189.09134	0.3
197.05948	0.5
213.06679	0.2
221.06023	0.8
223.07504	0.7
239.07098	0.4
243.06676	0.5
249.05476	0.6
251.07059	0.3
267.06323	0.4
271.06036	0.2
277.04825	0.3
285.07581	0.3
295.08133	13.9
296.08514	0.7
313.06604	0.6
313.14590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01871	2.2
57.03437	0.8
58.27870	0.4
60.83195	0.4
65.03931	4.3
67.05495	2.0
69.03425	7.1
69.13353	0.5
69.13662	1.7
69.14059	0.9
71.01351	3.8
71.04978	0.8
73.02909	0.5
77.03909	0.7
77.78374	0.5
81.03411	18.7
85.02898	5.1
91.05524	0.8
93.03410	3.2
95.04968	1.6
95.08634	0.7
97.02893	2.1
98.97582	1.0
99.04455	2.0
108.02083	1.6
109.02873	8.4
109.10149	0.5
110.03661	1.0
111.04431	5.7
114.09167	1.0
116.98623	1.0
119.05029	0.5
120.08120	0.6
123.04417	4.5
125.05996	2.8
127.03930	3.1
128.06181	0.5
129.06984	0.8
131.04938	0.7
137.02351	6.8
137.03391	0.9
137.05959	0.8
141.05466	3.0
141.07027	1.1
142.07770	0.5
143.08571	0.6
147.04382	2.3
151.03902	100.0
151.05003	9.5
152.04211	2.3
152.06213	0.8
153.06987	1.0
155.08542	2.7
157.10129	0.7
165.06993	6.5
166.07722	1.1
167.08540	1.3
169.04980	5.1
169.06453	1.6
169.10175	0.8
173.06046	0.5
175.03949	1.2
175.05450	0.4
176.06172	0.9
177.06995	1.3
178.07695	0.8
179.08525	1.4
181.06412	1.0
181.10094	1.0
183.08020	4.1
183.11655	0.7
185.09604	5.4
193.06438	5.0
193.10127	1.8
194.10883	0.6
195.08112	1.3
195.11722	0.4
197.05983	9.7
197.09637	1.0
203.10646	0.6
205.06493	5.1
206.07225	0.5
207.08148	0.9
208.08809	0.8
208.12408	0.5
209.09595	1.8
210.06929	0.5
211.07532	4.2
211.11154	0.8
215.07054	1.3
221.05951	18.1
221.09401	0.8
222.06572	1.1
222.10272	0.7
223.07530	9.7
223.11081	0.8
223.14857	0.6
224.08142	1.3
225.05441	8.3
225.08919	3.6
233.05965	4.1
239.06978	6.8
239.10693	0.8
239.14398	0.6
243.06519	8.9
249.05452	13.8
250.06100	1.2
251.07002	7.3
251.14342	4.5
253.04884	3.9
257.08017	1.4
267.06519	12.9
267.10071	2.0
267.13748	4.7
268.07037	1.6
269.08115	1.4
269.15408	3.9
271.05966	2.9
277.04922	5.3
278.05658	0.6
282.04269	0.6
285.07559	10.0
285.14771	2.9
290.94843	1.0
295.05939	12.8
295.08298	10.4
296.08798	0.7
313.07022	19.1
313.10553	2.1
313.14029	5.7
314.07404	1.5
314.14304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01861	1.0
56.96550	0.8
57.03418	1.1
65.03940	5.0
67.05501	1.7
69.03427	4.3
71.43092	0.5
71.58521	0.4
77.03924	0.5
81.03407	6.2
85.02893	4.9
91.05469	1.2
93.03389	1.7
95.04967	1.3
97.02895	1.8
98.97584	2.8
99.04465	0.9
108.02065	1.9
109.02867	2.5
110.03661	0.9
111.04421	4.9
116.98618	2.5
119.04945	0.5
121.02785	0.4
123.04459	0.7
125.05969	2.9
127.03883	1.1
133.02864	1.6
134.99646	1.2
136.01550	0.5
136.06129	0.5
137.05916	0.5
141.05504	2.4
147.04434	3.9
151.03902	100.0
151.05003	9.5
152.04233	2.6
154.00685	0.4
160.33609	0.4
163.21938	0.4
165.07016	1.7
169.04958	5.2
175.03900	17.4
176.04266	0.5
177.06987	0.6
181.05006	0.4
189.09212	0.4
193.06468	1.6
197.06032	0.8
205.06519	1.4
211.07652	0.6
221.05991	3.5
223.07541	2.4
233.05948	0.7
239.06950	2.0
249.05434	2.1
251.07048	2.1
253.07033	0.5
267.06519	3.3
277.04977	0.8
285.07596	1.1
290.94666	2.1
295.05954	4.3
295.08322	3.0
313.06909	1.5
313.16220	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	313.1069
Annotation	Phaeochromycin A
Peak:m/z	Relative Intensity
50.54430	1.1
62.50932	1.1
69.11715	1.2
74.31618	1.2
74.54835	1.1
79.67020	1.3
95.40004	1.1
96.61864	1.2
123.34430	1.4
136.27837	1.4
152.06212	1.7
157.06487	2.5
165.06979	3.4
167.08568	2.9
169.06537	1.3
170.15453	1.7
172.32326	1.3
178.07784	12.8
179.08559	4.1
183.08105	3.4
189.06981	2.4
190.07808	5.8
191.08565	31.9
192.09096	1.3
193.10120	13.7
195.08017	2.8
195.56662	1.4
197.06059	1.8
197.09639	5.7
198.14905	3.1
202.07784	3.7
203.08551	8.5
206.07297	2.9
207.08032	5.2
207.09784	1.5
211.07501	6.6
213.05495	1.6
219.08044	47.4
220.08493	2.9
221.06288	1.7
221.09599	30.1
222.09917	1.5
223.07542	3.8
225.09128	5.6
227.07089	4.0
231.08113	3.8
234.06590	2.1
235.07523	7.9
237.08939	1.8
239.07121	2.4
239.10638	3.6
247.07536	100.0
248.07948	6.3
249.09097	51.3
250.09456	3.6
251.07034	8.2
252.07764	3.9
253.08569	12.1
255.06529	3.8
259.07596	2.4
263.62515	1.3
264.07806	2.7
265.08575	20.0
266.09061	2.3
267.07071	2.2
267.10162	40.1
268.10410	1.6
269.08081	10.4
270.08759	9.9
271.09552	10.6
277.08575	28.8
285.08401	1.7
285.11105	6.3
295.09656	47.1
296.09927	2.5
313.07190	1.9
313.10709	30.8
313.14374	6.9
314.10895	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.5
58.51123	0.5
60.39204	0.4
65.81056	0.4
68.57610	0.5
69.58783	0.4
69.73652	1.6
87.91854	0.4
91.18133	0.4
98.99959	0.4
120.59613	0.4
124.74094	0.5
141.06967	0.5
152.06255	1.0
157.06413	1.0
165.06995	2.0
167.08574	1.1
176.06236	0.5
178.07762	18.1
179.08467	2.2
183.08109	0.6
192.09340	0.8
193.10114	15.8
194.10509	0.9
195.08101	0.9
196.08803	0.7
197.06001	0.9
197.09579	3.2
198.14804	0.9
198.40344	0.5
202.07768	3.4
203.08514	5.7
205.06487	1.1
206.07278	6.3
207.07985	1.6
209.05928	0.6
211.07520	0.7
219.08072	0.5
220.08836	0.9
221.09601	61.1
222.09920	3.5
223.07523	0.8
225.09074	1.3
231.07999	2.5
233.28845	0.4
234.06682	3.1
235.07475	0.9
238.06177	1.1
239.07054	0.8
239.10516	2.1
240.07745	2.5
248.76088	0.5
249.09090	63.8
250.09447	2.8
252.07822	4.7
253.08488	1.0
262.06146	0.4
267.10144	100.0
268.10541	4.8
269.08075	2.0
270.71786	0.5
277.08569	9.3
295.09628	29.1
296.09875	1.6
313.10641	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	313.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
63.67108	0.3
73.84117	0.3
98.22722	1.4
107.07375	0.4
123.04362	0.5
128.06230	0.4
141.06943	0.5
143.08569	0.5
151.03867	0.4
152.06160	0.9
153.06978	0.7
155.08540	0.6
157.06451	1.0
165.06970	3.0
167.08508	1.3
169.10153	0.8
177.07001	0.7
178.07750	22.4
179.08414	2.9
181.06462	1.1
183.08035	1.0
183.11711	0.6
191.08504	1.0
192.09361	1.7
193.10112	20.0
194.10468	0.7
195.08031	0.8
196.08849	0.5
197.05962	0.6
197.09592	3.9
202.07761	4.5
203.08539	7.6
204.09056	0.6
205.06490	1.7
206.07265	9.3
207.07988	1.9
209.05847	0.7
211.07556	1.0
211.11154	0.6
219.07942	0.7
220.08864	0.8
221.09589	68.4
222.06741	0.4
222.09921	3.6
223.07483	1.2
224.08284	0.4
225.05470	0.6
225.09032	2.3
231.07964	3.9
232.08788	0.4
234.06813	3.2
235.07484	3.2
238.06242	1.4
239.07028	0.6
239.10689	2.2
240.05669	0.5
240.07808	3.0
248.08237	0.5
249.09082	65.8
250.09416	3.4
251.06987	1.1
252.07791	6.1
253.08501	1.4
262.06168	0.8
266.09464	0.5
267.10135	100.0
268.10480	4.6
269.08057	4.9
270.08478	0.4
271.09702	1.3
277.08563	16.7
278.08975	0.6
285.11411	0.4
295.09637	35.6
296.09958	1.5
313.07178	0.6
313.10672	4.6
313.14111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1069
Annotation	Phaeochromycin A
Peak:m/z	Relative Intensity
58.55517	0.9
69.03420	1.6
69.27301	5.4
72.45359	0.8
82.53663	0.8
85.02904	1.1
86.83513	0.9
91.05479	1.5
92.30119	0.9
95.87872	0.9
98.97581	1.7
109.02833	0.9
119.04880	1.0
123.04428	1.5
128.06209	1.4
129.07002	2.7
131.08502	1.0
137.02283	3.3
141.06966	2.4
143.04895	3.1
147.08018	1.0
151.03909	4.9
151.04924	0.9
153.06956	2.1
155.08582	4.3
157.06462	6.1
159.08018	1.8
165.06975	4.7
166.07732	1.0
167.08556	2.1
168.09312	1.0
169.06454	1.9
169.10129	1.2
171.04355	1.4
173.05975	2.6
178.07744	10.7
179.08505	7.7
181.06456	3.1
182.07307	1.0
183.08054	9.8
183.11670	1.8
183.70367	0.8
185.05952	3.0
193.06419	1.5
193.10162	4.8
195.08040	2.4
196.08757	3.4
197.05940	6.9
197.09636	6.0
199.07527	2.1
201.05406	2.1
201.09071	1.3
202.07777	1.4
203.08548	2.4
205.06499	2.3
206.07214	2.3
207.08038	8.0
209.05954	2.7
210.06659	2.2
211.07541	9.5
211.11122	4.0
213.05507	4.6
213.09035	1.8
215.06871	1.3
221.05936	3.8
221.09593	11.9
223.07516	7.1
223.11064	1.4
224.08229	3.8
225.05505	4.4
225.09047	9.2
226.05968	1.7
227.06943	5.6
229.08563	3.2
235.07497	13.6
237.05522	4.5
238.06155	3.8
239.06937	3.4
239.10646	24.8
241.08635	1.7
243.06390	2.8
249.05455	2.5
249.09108	8.7
251.07016	8.7
252.07806	4.1
253.08588	19.8
255.06491	6.4
256.07166	2.0
266.09436	1.2
267.06616	4.6
267.10123	41.3
267.17368	1.5
268.10651	1.4
269.08054	14.0
270.08838	17.5
271.09207	1.4
277.04950	1.9
277.08099	1.9
284.10397	12.1
285.07742	2.2
285.11115	13.5
286.11469	1.6
295.05911	5.0
295.09570	10.1
296.09723	1.3
313.07083	8.5
313.10623	100.0
314.10916	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	313.1439
Annotation	Fortunolide A
Peak:m/z	Relative Intensity
50.15039	1.2
50.41986	1.1
55.05502	3.0
67.05495	1.6
69.03427	7.1
69.07069	1.2
70.39752	1.3
71.62564	1.2
71.91051	1.4
81.07052	1.7
83.04948	2.0
83.08620	2.2
97.02876	4.6
111.14832	1.4
125.02359	2.1
128.06197	3.7
129.06990	5.5
130.71178	1.3
141.06982	8.8
142.07774	2.3
142.64095	1.4
143.03430	3.9
143.08543	14.9
153.06960	5.9
154.07790	2.4
155.08554	8.7
156.09331	3.1
157.06451	3.7
157.10112	4.5
165.05740	1.9
165.06970	8.8
166.07759	8.5
167.08548	10.3
169.06458	6.4
169.10098	12.5
171.08025	4.7
171.11671	2.2
173.05917	1.4
178.07808	3.2
179.08516	14.5
180.09285	5.3
181.06461	10.2
181.10083	15.6
182.10678	1.7
183.08025	9.4
183.11693	3.2
185.09567	2.8
187.07542	1.9
187.11139	1.5
191.08527	2.6
192.09332	2.7
193.10101	14.9
194.10953	7.3
194.82320	1.2
195.08069	8.2
195.11720	4.9
196.08804	2.8
196.12514	3.6
197.05972	3.2
197.09599	6.9
199.07669	2.6
203.08549	4.0
206.10875	3.1
207.08046	5.2
207.11711	1.7
208.08791	3.6
208.12411	7.8
209.09569	22.3
209.13281	2.4
210.10243	3.4
211.07564	4.9
211.11151	2.7
211.14842	5.3
213.09137	7.9
213.16438	1.7
215.10681	6.0
218.10902	2.1
221.05922	2.8
221.09616	6.2
221.13283	4.7
222.10455	9.9
223.11201	4.4
223.14786	12.4
224.11972	4.8
225.09134	2.7
225.16351	2.3
227.14255	8.5
228.44557	1.3
229.08594	3.1
233.13287	5.7
235.07523	1.6
236.11952	11.0
237.09070	1.6
239.07172	1.5
239.14293	13.2
241.15916	4.0
243.10214	4.2
249.12636	7.3
251.10495	2.3
251.14285	80.0
252.14688	4.2
253.08691	1.4
253.12228	3.6
257.08127	2.3
257.11801	1.8
267.13763	29.0
268.14270	2.7
269.15344	4.5
271.09619	2.3
277.12201	3.8
281.11670	1.9
295.13278	40.6
301.09937	1.4
313.14325	100.0
313.17642	4.8
314.14624	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	313.1433
Annotation	Engelhardione
Peak:m/z	Relative Intensity
51.49405	0.4
64.18291	0.3
69.03419	1.6
70.53349	0.9
71.33324	0.3
76.85674	0.4
98.97555	0.6
124.14482	0.4
129.07027	0.9
141.06978	1.4
153.06992	0.5
155.08548	1.3
157.06442	0.5
165.06973	0.8
167.08580	0.7
169.06482	1.4
169.10103	1.5
171.07983	0.6
178.07774	0.7
179.08556	1.8
180.09230	0.5
181.06462	0.9
181.10065	0.8
182.10893	0.5
183.08130	2.0
185.09576	1.8
187.11130	0.5
188.11385	0.5
191.08578	1.0
191.95190	0.5
192.09377	0.7
193.06485	0.7
193.10184	1.2
195.08093	1.4
196.08836	0.8
196.12415	0.5
197.06000	1.2
197.09621	1.5
197.13182	0.6
199.07516	0.5
204.09305	0.9
205.09898	0.4
206.10953	2.0
207.08015	1.8
207.11639	1.1
209.09608	0.9
209.13203	0.8
210.10355	0.7
211.07562	2.4
211.11201	0.5
211.14836	1.4
213.08981	0.6
215.10637	4.9
216.09341	0.6
219.08060	1.5
219.11604	0.8
220.08783	0.9
221.05894	2.4
221.09531	1.9
221.13321	1.8
223.07584	1.2
223.11142	2.4
224.08266	0.9
224.11911	0.5
225.05637	0.5
225.09193	1.3
225.12741	4.1
226.09740	0.6
227.10721	0.5
229.08424	1.0
231.11871	0.5
233.09631	0.6
234.10338	2.3
235.07527	1.8
235.11150	1.1
236.08208	0.7
237.09091	1.1
237.12701	1.6
238.09933	0.6
239.06990	8.0
239.10748	1.0
239.14343	2.0
240.07686	1.0
240.11159	0.4
241.12260	1.3
243.10210	1.7
247.07495	0.6
247.11183	1.2
248.08299	0.5
249.09103	4.5
249.12761	6.1
251.10641	0.7
252.07671	0.6
252.11446	0.6
253.08597	6.3
253.12129	2.2
254.09032	0.7
255.09976	0.9
255.13802	3.1
257.07996	0.6
262.09875	3.5
264.11481	1.1
265.08600	0.4
265.09488	0.5
265.12204	3.5
266.09369	0.7
267.10162	7.3
267.13779	7.4
268.14157	0.7
270.08859	9.8
271.09515	1.8
271.13077	0.6
277.12262	4.9
280.10809	2.4
282.12485	0.4
283.13269	0.6
284.10394	4.5
285.10965	0.6
285.14771	1.2
285.18518	0.5
295.13287	15.9
296.13583	1.7
298.11899	6.6
299.12341	0.5
313.14310	100.0
314.14587	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	313.1433
Annotation	Engelhardione
Peak:m/z	Relative Intensity
55.05500	0.4
55.82680	0.2
57.91158	0.2
67.05497	0.3
69.07030	0.2
69.90864	0.4
80.58729	0.2
81.07058	0.3
81.33960	0.2
83.08588	0.3
95.08604	0.3
98.97624	0.2
107.08607	0.2
141.06990	0.2
155.08502	0.3
159.04381	0.2
161.05881	0.3
165.06998	0.3
168.05623	0.2
173.06035	0.3
179.08572	0.5
181.06490	0.3
181.10120	0.4
183.08034	0.6
183.11679	0.4
185.06020	0.4
185.09586	0.7
193.10091	0.4
195.08011	0.4
196.08818	0.3
197.05887	0.3
197.09564	0.7
199.07541	0.7
201.09065	0.5
207.07990	0.5
209.06139	0.2
209.09595	0.8
210.10327	0.4
211.07516	1.0
211.11078	0.3
213.05504	0.7
213.09081	1.9
215.06860	0.4
215.10654	0.2
219.08061	0.3
221.13229	0.2
223.07515	0.4
223.14742	0.2
224.08315	0.7
224.11932	0.6
225.05563	0.5
225.09100	2.4
225.12619	0.5
227.07077	1.0
227.10706	0.4
229.04974	0.3
229.08588	0.6
232.07254	0.5
234.10457	0.6
235.07462	0.3
237.05389	0.2
237.09055	1.2
238.09827	1.0
239.06998	0.3
239.10609	0.6
239.14285	0.6
241.04846	0.5
241.08525	1.4
242.05707	0.7
242.09351	0.3
243.06396	1.0
243.10187	0.8
245.08014	0.6
249.12814	0.9
251.06996	0.4
251.14270	0.8
252.07780	0.6
252.11475	1.2
253.08588	1.6
253.12219	1.0
254.09358	0.3
255.06500	2.2
255.10069	1.2
256.07303	1.5
256.10513	0.2
257.08005	0.5
262.09891	0.5
265.08630	1.5
266.09305	0.7
267.10446	0.4
267.13766	6.2
268.14133	0.4
269.08099	2.6
269.15305	0.7
270.08841	15.5
271.09521	2.3
277.12256	1.4
279.10345	0.3
280.10944	2.1
281.11667	1.1
283.09607	5.5
284.10397	6.6
285.11023	0.5
285.14880	0.7
295.13281	4.2
298.11966	11.7
299.12369	0.7
313.14297	100.0
314.14621	6.7
314.18274	0.3
314.30573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.143
Annotation	Aceroside D
Peak:m/z	Relative Intensity
56.68282	1.5
69.07064	3.4
71.16551	1.3
71.42469	1.4
78.25382	1.4
83.04980	3.6
98.86740	1.5
98.97573	3.4
116.98614	3.9
123.04403	3.7
129.01601	1.5
141.06985	3.8
144.06281	14.3
145.06693	3.3
145.52098	1.5
155.08565	2.7
157.10185	1.8
169.06494	6.7
179.08507	2.1
183.08000	9.8
185.09607	7.5
187.07489	3.6
191.03398	4.2
192.09189	1.9
195.08002	2.5
197.05949	40.8
197.09607	1.7
198.06387	1.7
206.10892	6.1
207.08070	4.0
209.09634	1.8
211.07521	5.7
216.09334	2.5
219.08075	3.6
221.13287	3.1
223.07390	2.0
225.05409	2.0
225.09076	3.4
225.12714	12.0
227.10788	2.2
228.76836	1.7
234.10419	6.4
235.07396	2.7
235.11058	2.3
237.09067	2.2
239.10724	3.0
239.13412	2.2
243.06448	6.2
247.07474	4.4
249.12703	15.7
251.10530	1.7
252.07925	1.9
252.10760	5.2
257.10632	1.9
262.09933	7.3
265.12198	2.8
267.13776	98.0
268.14011	3.2
268.21893	3.5
269.22751	3.6
277.12250	12.2
278.12732	1.6
280.10889	13.1
285.13919	4.5
288.38339	1.5
290.94836	2.3
295.13242	100.0
296.13531	4.2
313.13889	61.4
313.25272	2.2
314.14172	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	313.1432
Annotation	Aceroside D
Peak:m/z	Relative Intensity
55.54649	0.4
60.14609	0.5
69.57918	0.9
69.58315	1.0
118.76514	0.5
127.44958	0.4
141.06998	0.6
142.07774	0.5
143.04901	0.8
150.83313	0.4
155.08522	1.0
155.60197	0.5
157.06398	0.4
165.06978	1.0
169.10123	0.7
171.11627	0.9
178.07747	0.5
179.08527	1.9
181.10045	1.0
183.08026	4.8
185.09586	5.5
191.08562	1.5
192.09294	1.3
193.10091	0.9
195.08011	1.3
196.08740	0.9
197.05942	0.8
197.09584	0.6
202.07791	0.5
205.10031	0.8
206.07201	0.8
206.10876	4.1
207.08026	3.2
207.11592	1.9
209.09633	1.0
210.10330	0.7
211.07564	5.0
211.14903	0.5
215.08459	0.6
216.09341	1.3
219.08075	1.7
220.08844	1.7
221.09607	0.6
221.13243	3.3
222.06721	0.9
223.07480	1.6
224.08324	1.5
224.11989	0.5
225.09090	1.3
225.12729	11.7
231.11626	2.2
233.09691	0.7
234.06740	0.6
234.10356	5.5
235.07550	4.4
235.11113	1.5
236.08289	0.6
237.09114	1.1
238.09764	1.0
239.06952	1.6
239.10606	0.5
242.95555	0.4
244.09001	0.4
247.07475	1.5
248.08250	1.8
249.08961	1.0
249.12743	19.9
250.13037	1.0
252.07788	3.4
252.11433	0.9
253.08496	1.0
253.12161	0.7
259.11172	1.5
261.09143	0.7
262.09863	9.9
262.12515	0.8
263.10428	0.5
265.08566	1.9
266.09421	1.7
267.10379	0.7
267.13785	3.9
277.12216	23.9
278.12601	1.6
280.10934	5.0
295.13266	100.0
296.13580	6.1
313.14304	9.1
314.14423	0.5
319.04172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
55.01838	0.4
55.05473	0.5
59.04976	1.0
65.05026	0.3
67.05477	0.7
69.07034	0.5
69.92228	1.0
79.05473	0.4
81.03371	0.4
81.07018	1.0
85.12937	0.3
90.52862	0.3
93.07024	0.3
115.05427	1.5
128.06180	1.2
129.06995	3.7
141.06975	4.7
142.07777	7.9
143.08569	2.5
152.06212	0.9
153.06979	2.6
154.07758	4.1
155.04872	1.2
155.08542	5.5
156.09283	0.6
157.10110	4.7
165.06978	3.9
166.07776	4.0
167.08543	5.9
168.09351	2.3
169.06422	2.6
169.10114	11.7
170.07272	3.8
170.10635	0.7
171.04353	2.1
171.08047	0.5
171.11658	0.7
172.12239	0.4
173.05978	0.5
178.07741	1.3
179.08543	5.1
180.09300	2.4
181.06487	1.5
181.10106	11.3
182.10736	1.9
183.04399	0.7
183.07979	2.4
183.11665	7.6
185.05945	0.7
185.09608	2.0
190.07858	0.6
191.08513	1.7
192.09232	0.5
193.10121	5.5
194.07245	0.7
194.10878	3.7
195.08049	3.7
195.11678	4.9
196.08707	0.7
196.12418	3.1
196.95575	0.4
197.05972	0.5
197.09573	0.8
197.13159	0.8
197.16058	0.5
198.06741	7.0
199.07379	0.5
201.09041	0.9
203.08495	1.6
204.09308	0.5
205.10246	0.6
207.08043	2.0
207.11559	0.5
208.08763	1.4
208.12440	3.1
209.09604	10.1
209.13036	1.7
210.10083	0.8
210.14006	1.5
211.11142	2.1
213.09085	100.0
214.09419	5.6
215.10672	0.5
217.10225	0.4
218.10855	1.6
221.09538	2.9
222.10339	4.2
223.11278	2.0
223.14784	4.5
225.16357	7.6
233.13252	2.3
235.11191	0.6
236.11948	3.9
239.10652	0.9
241.12097	0.6
245.91527	0.3
249.12506	0.4
251.14302	39.3
252.14670	2.4
253.08623	1.1
254.12743	0.4
267.13647	1.0
269.15359	4.8
271.09628	2.4
272.09680	0.4
295.13248	3.2
295.16815	0.9
313.14310	30.4
314.14719	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Aceroside D
Peak:m/z	Relative Intensity
55.01865	2.0
55.05502	1.7
57.03404	1.1
58.28118	0.8
60.54472	1.0
64.93639	1.1
67.05472	3.1
69.03397	1.2
69.07059	1.9
71.04974	3.2
77.03920	1.6
79.05486	2.8
81.07056	1.9
87.59494	0.9
89.03904	3.3
91.05466	2.3
93.07040	1.8
95.04942	1.9
97.06485	1.0
97.28670	0.8
98.22715	4.2
105.03355	2.6
117.03374	2.2
119.04968	1.1
123.04415	70.1
123.13857	0.9
124.04739	2.2
133.02840	3.2
135.04408	7.5
137.02310	2.4
141.06992	2.3
141.78610	0.9
143.04932	1.0
143.08543	1.5
145.02797	2.2
151.03926	1.6
152.04599	1.1
155.08548	3.3
159.07983	1.7
161.05925	2.4
163.03966	4.9
165.06982	4.2
166.07823	2.4
167.08553	3.9
169.06476	2.9
169.10068	1.2
171.07956	1.0
178.07727	3.0
179.08516	5.1
181.06543	2.0
181.10080	3.7
183.08049	6.8
183.11673	1.1
185.09575	1.6
187.07501	1.4
191.03377	50.6
191.08429	4.6
192.03705	2.2
192.09320	6.8
193.06461	2.2
193.10118	7.0
195.08038	8.2
195.11685	1.4
196.12160	0.9
197.05998	2.3
197.09602	3.2
197.13290	1.5
198.06697	1.3
199.07512	1.6
202.07777	3.3
203.08527	2.7
204.04216	2.1
204.09439	1.0
205.06464	1.7
205.10107	1.8
206.10905	4.7
207.07938	2.8
207.11610	3.5
209.09573	11.6
210.10330	1.1
211.07474	5.9
211.11032	1.1
212.08171	1.7
213.09091	1.9
214.06215	2.0
216.09435	1.6
219.08043	5.3
220.08818	9.1
221.05969	3.2
221.09602	8.3
221.13232	3.6
223.07520	3.7
223.11095	4.8
224.11977	4.9
225.05484	3.1
225.09157	5.1
225.12677	9.0
227.07077	1.5
227.10490	1.2
229.08554	8.0
231.11719	2.0
234.10234	4.6
235.07523	2.7
235.11115	3.4
236.08279	1.5
237.09106	9.4
237.12741	4.0
238.09828	3.2
238.12927	1.0
239.07117	1.2
239.10625	3.2
239.14243	7.2
243.10158	2.8
249.05605	1.6
249.09074	5.8
249.12718	31.5
250.13080	1.2
251.06918	2.0
251.10693	4.4
251.14198	2.5
252.11401	2.9
253.08472	4.8
253.12199	32.5
254.12550	1.2
255.10155	10.1
259.11023	1.5
262.09836	1.8
265.12213	3.2
266.09335	4.3
267.07208	2.0
267.10181	11.3
267.13779	36.8
268.11002	1.3
268.14145	2.8
269.11682	1.6
277.12198	39.6
277.21527	1.5
278.12637	4.2
280.10904	22.0
281.11401	1.9
282.12418	6.8
283.13123	1.9
285.15170	1.4
295.13245	72.4
296.13626	4.1
313.07013	51.9
313.14304	100.0
314.07318	4.6
314.14700	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Engelhardione
Peak:m/z	Relative Intensity
59.04995	1.1
61.12528	0.5
69.07047	0.6
71.04967	0.7
110.99097	0.4
123.04377	0.6
141.07014	1.0
153.00055	0.5
153.07004	1.0
154.07712	0.5
155.08531	2.0
165.06993	1.3
166.07748	0.7
167.08530	2.2
169.06458	2.1
169.10112	1.1
171.08044	0.8
178.07716	1.2
179.08551	2.2
180.09277	0.8
181.10092	2.2
183.08012	4.3
185.09607	1.5
187.07425	0.6
190.07765	0.8
191.08510	1.3
192.09276	1.8
193.10072	1.8
194.10815	0.6
195.08011	3.1
195.11646	0.9
197.05956	2.3
197.09543	1.5
197.13332	0.5
198.06590	0.6
199.07512	1.3
204.09457	0.5
205.10149	1.0
206.10907	3.9
207.08029	1.8
207.11592	1.3
208.08795	0.9
209.09592	4.2
210.06694	0.8
210.10262	1.0
211.07503	4.6
211.10997	0.5
213.05530	0.7
213.09065	1.0
216.09351	1.3
219.08028	1.9
219.11508	0.5
220.08850	2.2
221.09804	2.7
221.13176	2.3
222.10332	0.7
223.07542	0.9
223.11089	2.4
223.14757	0.6
224.08197	1.1
224.11914	4.9
225.05490	1.7
225.09111	2.5
225.12628	2.4
227.07021	1.8
227.10509	0.6
228.07784	0.6
229.08553	4.6
231.11656	1.8
233.09702	0.7
234.10345	4.8
235.07497	0.7
235.11154	1.8
237.09056	4.1
237.12715	3.9
238.09769	1.4
239.10597	1.3
239.14240	1.4
241.08630	0.7
242.09315	1.3
249.09032	0.9
249.12718	19.4
250.13045	1.3
251.07027	0.9
251.10603	2.7
251.14220	1.3
252.07793	0.6
252.11424	5.0
253.08717	2.3
253.12190	5.5
254.09415	1.0
255.06401	0.9
255.10210	2.2
259.11072	0.6
262.09866	2.2
263.10321	0.7
265.12250	3.6
266.09280	0.7
267.10138	5.7
267.13766	11.4
269.11691	4.4
270.08820	1.7
270.12244	0.9
271.09500	1.6
271.13232	1.4
277.12198	12.5
278.12534	0.6
280.10883	3.8
282.12430	5.4
283.09927	0.5
283.13104	1.9
285.11072	1.5
285.14706	1.1
295.09924	1.0
295.13235	18.6
296.13599	1.5
298.11914	0.7
313.11066	4.0
313.14279	100.0
314.11246	0.8
314.14569	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	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
59.05002	1.1
67.05483	0.9
67.70134	0.4
69.07037	1.3
69.22105	1.9
79.05474	0.6
81.07021	1.4
90.47711	0.4
95.43459	0.4
115.05442	0.9
116.15859	0.4
128.06174	1.0
129.07011	4.1
133.35963	0.4
141.06958	6.3
142.07765	8.0
143.08604	2.4
143.98999	0.5
152.06168	1.0
153.06973	4.1
154.07751	3.7
155.04915	1.2
155.08548	7.9
156.09203	0.6
157.10123	3.9
165.06966	6.3
166.07762	7.3
167.08554	8.1
168.09332	3.1
169.06432	2.9
169.10115	14.3
170.07289	3.7
170.10455	0.8
171.04356	1.4
171.11568	1.2
173.05867	0.6
178.07700	1.7
179.08540	7.8
180.09291	3.1
181.06479	1.5
181.10091	17.0
182.10747	2.0
183.04399	0.8
183.08076	3.4
183.11674	11.6
184.05087	0.5
184.12018	0.5
185.05966	0.8
185.09621	2.3
189.03998	0.4
190.07732	0.8
191.08557	2.3
192.09189	0.6
193.10101	9.3
194.07234	1.8
194.10893	5.0
195.08037	4.8
195.11693	7.1
196.08708	0.5
196.12474	4.0
197.09520	0.9
197.13152	1.5
198.06729	7.0
199.07420	0.8
201.09109	1.2
203.08553	2.0
204.09250	0.7
205.10078	0.7
207.08070	3.0
207.11620	0.8
208.08856	3.0
208.12450	4.7
209.09599	14.5
209.13103	2.8
210.10100	0.7
210.13988	1.6
211.07701	0.8
211.11110	1.6
213.09079	100.0
214.09412	4.3
218.10855	2.6
221.09573	4.4
222.10345	6.5
223.11285	2.6
223.14780	7.7
224.15158	0.5
225.12804	0.6
225.16345	9.4
233.13292	4.7
236.11920	5.3
249.12823	0.7
251.14285	60.0
252.14595	3.8
253.08492	1.4
267.13809	2.1
269.15314	0.7
271.09561	1.5
295.13239	5.9
313.14307	30.7
314.14575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68282	1.5
69.07064	3.4
71.16551	1.3
71.42469	1.4
78.25382	1.4
83.04980	3.6
98.86740	1.5
98.97573	3.4
116.98614	3.9
123.04403	3.7
129.01601	1.5
141.06985	3.8
144.06281	14.3
145.06693	3.3
145.52098	1.5
155.08565	2.7
157.10185	1.8
169.06494	6.7
179.08507	2.1
183.08000	9.8
185.09607	7.5
187.07489	3.6
191.03398	4.2
192.09189	1.9
195.08002	2.5
197.05949	40.8
197.09607	1.7
198.06387	1.7
206.10892	6.1
207.08070	4.0
209.09634	1.8
211.07521	5.7
216.09334	2.5
219.08075	3.6
221.13287	3.1
223.07390	2.0
225.05409	2.0
225.09076	3.4
225.12714	12.0
227.10788	2.2
228.76836	1.7
234.10419	6.4
235.07396	2.7
235.11058	2.3
237.09067	2.2
239.10724	3.0
239.13412	2.2
243.06448	6.2
247.07474	4.4
249.12703	15.7
251.10530	1.7
252.07925	1.9
252.10760	5.2
257.10632	1.9
262.09933	7.3
265.12198	2.8
267.13776	98.0
268.14011	3.2
268.21893	3.5
269.22751	3.6
277.12250	12.2
278.12732	1.6
280.10889	13.1
285.13919	4.5
288.38339	1.5
290.94836	2.3
295.13242	100.0
296.13531	4.2
313.13889	61.4
313.25272	2.2
314.14172	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	313.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
67.05522	0.5
69.07059	2.9
79.69451	0.4
83.04962	1.4
91.05481	1.0
95.04937	0.5
97.06541	0.9
98.22688	0.9
115.05466	0.9
123.04383	2.2
125.02320	1.0
128.06209	6.5
129.06963	1.5
135.04372	0.5
137.02353	4.3
141.06978	3.9
142.07747	1.7
143.04916	1.5
143.08548	6.1
145.06400	0.6
147.04504	0.5
148.90663	0.4
151.03859	1.1
152.06151	0.6
153.07005	0.8
154.07751	0.9
155.04941	0.6
155.08554	3.0
156.05644	1.1
157.06482	6.0
157.10123	3.6
159.07985	0.8
161.09613	2.2
164.48399	0.5
165.07002	2.4
166.07788	0.6
167.08545	2.6
169.06461	8.2
169.07660	0.6
169.10138	2.2
171.08014	34.3
171.09183	2.5
172.08411	1.4
174.69435	0.5
177.06970	0.6
178.07753	4.3
179.08540	4.5
180.09357	0.6
181.06505	1.4
181.10147	2.4
182.07336	0.9
183.08040	4.1
183.11642	0.9
184.05280	0.9
185.05907	0.8
185.09599	1.3
187.07510	0.8
187.11153	1.1
191.03416	0.6
191.08519	0.9
193.06528	0.6
193.10118	4.6
194.10722	0.5
195.08022	2.1
195.11668	1.1
196.08713	0.6
196.12529	0.5
197.05983	5.5
197.09579	3.3
198.06686	0.8
199.07524	13.4
200.07816	0.5
201.05359	0.5
202.07738	0.9
203.08592	1.1
205.06427	1.2
206.07170	1.0
206.10979	0.6
207.08069	2.8
208.05171	0.9
208.12393	1.9
209.05852	0.9
209.09619	1.4
209.13126	0.8
210.06740	1.8
210.83444	0.4
211.07545	2.9
211.11145	1.9
211.14909	0.6
211.50397	0.5
213.05411	1.9
213.09056	0.7
215.07005	1.6
219.08035	0.7
221.05989	1.6
221.09586	7.1
221.13115	0.7
222.10349	0.5
223.07504	4.4
223.11171	0.8
223.14764	1.8
224.08159	1.6
225.05466	1.8
225.09032	7.7
226.06201	1.9
226.09567	0.5
227.07016	2.3
227.14337	0.6
229.08571	1.7
235.07474	2.2
236.11861	1.3
237.05406	0.8
237.09093	1.1
238.06180	1.7
238.09460	0.7
239.07066	2.4
239.10640	8.1
239.14305	1.1
240.07690	0.6
240.11107	0.5
241.04980	4.6
241.08623	1.8
242.05670	0.6
242.09265	0.5
243.06561	2.2
249.05376	0.9
249.09142	5.8
249.11848	0.6
249.12830	0.6
250.09566	0.8
251.07036	3.7
251.10608	1.0
251.14311	1.3
252.07719	1.1
252.11386	0.7
253.08577	5.4
253.12169	0.9
254.13025	4.9
255.06535	1.0
255.10043	0.7
256.07324	5.3
257.07935	0.5
266.09183	0.8
267.06598	2.0
267.10141	13.0
267.13766	10.0
268.10623	0.8
269.08081	41.7
269.15335	100.0
270.08636	3.1
270.15689	6.4
271.06030	4.3
271.09610	27.9
271.12653	0.6
272.10007	1.6
277.12280	0.7
280.10858	0.9
285.07516	1.4
285.11185	0.8
285.14847	1.9
295.05969	1.2
295.09601	3.1
295.13242	3.1
295.16174	0.7
313.06973	8.5
313.10675	11.3
313.14294	30.8
314.10944	0.7
314.14423	2.1
338.14468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
56.96549	0.8
65.82027	0.5
69.03403	1.3
80.69714	0.5
81.03403	2.3
85.02876	1.4
93.03379	0.7
97.02879	9.9
98.22589	1.3
98.97589	4.5
109.02888	1.1
111.04432	1.8
116.98598	2.3
119.04916	0.7
125.05984	0.9
129.06995	0.6
133.02834	1.7
134.99637	1.4
136.06174	19.8
139.03665	3.3
140.65158	0.7
147.04373	3.1
149.27737	0.7
151.03894	27.0
151.04990	2.5
152.04243	1.1
164.05653	1.3
165.06996	2.2
169.04889	1.0
175.03889	23.6
176.04378	0.7
177.06984	0.8
179.03708	0.9
193.06514	1.8
197.05975	1.1
205.06491	1.6
211.07524	1.4
212.32413	0.7
218.18338	0.6
221.05971	6.3
223.07422	3.0
224.08543	0.6
233.06044	0.7
239.06955	2.9
249.05467	4.1
251.07091	1.9
254.92900	0.7
267.06482	4.5
277.05005	1.1
277.13544	0.7
285.07532	1.0
290.94717	2.4
295.05829	6.5
295.15244	3.1
296.08176	0.9
300.19461	0.6
308.95929	0.6
313.06958	2.7
313.16171	100.0
314.09116	1.2
314.16489	3.0
321.48148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54053	0.3
55.05511	2.7
57.07069	1.2
57.08317	0.3
59.04996	0.5
69.07051	0.7
70.58145	0.4
70.58478	0.5
71.08629	0.4
73.06558	3.7
74.52674	0.3
83.08603	1.3
91.60294	0.3
95.08608	0.5
98.97606	0.4
127.90160	0.3
129.06989	0.9
141.07011	1.4
142.07747	0.5
143.08505	0.4
153.06955	1.8
154.07732	1.2
155.08545	36.8
156.08984	0.9
157.10123	1.3
165.06975	0.6
167.08505	0.9
168.09280	1.2
169.06430	0.5
169.10149	4.1
171.11671	1.0
177.35669	0.3
178.07846	0.6
179.08531	1.1
180.09282	0.6
181.06490	0.8
181.10114	1.5
182.07195	0.7
182.10796	0.4
183.08051	9.9
183.11624	2.5
184.08507	0.6
185.09563	0.5
191.08530	0.3
193.10091	1.5
195.04399	1.6
195.08012	1.3
195.11714	1.5
196.05188	0.4
196.08861	1.8
196.12410	2.0
197.05937	0.6
197.09570	2.2
197.13257	0.3
199.11203	0.4
205.10002	0.3
209.06018	0.8
209.09601	1.4
210.06784	0.4
210.10388	0.6
210.14021	1.2
211.07552	1.4
211.11136	2.2
211.14728	0.9
213.05440	0.8
213.09077	0.3
215.10674	2.8
217.08493	0.3
220.12425	0.5
221.09618	0.7
223.11197	2.1
224.08311	7.4
224.11945	1.4
225.08926	0.7
225.12659	0.5
225.16331	3.2
227.07018	0.6
227.10600	0.5
235.14758	0.9
237.12846	0.5
238.13535	2.3
239.10599	3.4
239.14261	1.2
240.26738	0.4
241.12209	0.9
242.09361	5.1
243.10144	3.2
253.15852	100.0
254.16219	5.3
257.11707	25.3
258.12079	1.2
258.27841	1.8
263.14432	0.4
277.15781	0.4
281.12021	0.5
281.15314	4.1
285.18420	0.4
295.13321	0.4
295.16702	0.4
299.16394	0.7
313.14227	1.8
313.17917	4.1
314.34131	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	313.1793
Annotation	Jatrophone
Peak:m/z	Relative Intensity
54.15668	0.6
55.05503	2.8
57.03431	5.0
57.06816	0.9
57.07072	12.4
57.31173	0.5
59.05001	0.8
60.08165	3.2
67.05488	2.1
69.06668	0.5
69.07053	2.5
69.69398	2.1
71.08630	7.4
76.74930	0.6
81.07045	4.0
83.04968	5.2
83.08585	3.0
85.10181	4.6
89.05989	0.6
90.01129	0.5
95.08601	5.0
97.10124	0.6
109.10142	2.8
123.11632	0.8
140.99486	0.6
141.06924	0.9
165.06982	1.6
167.08545	1.4
169.06529	0.7
171.08044	0.9
178.07697	1.1
179.08565	1.8
181.06447	0.9
181.10136	2.0
183.08054	5.7
183.11574	0.7
185.09616	3.4
191.08466	1.3
192.09367	0.8
193.06471	0.8
193.10080	4.3
193.69905	0.6
194.10774	0.9
195.08006	7.8
195.11725	1.9
196.08858	0.9
196.58331	0.5
197.05946	2.8
197.09616	0.7
201.12703	1.0
205.09988	1.2
206.10831	1.1
207.08032	0.9
207.11668	2.0
208.08768	0.7
209.09581	7.7
209.13283	1.6
210.06769	1.4
210.10332	3.4
211.07506	4.3
211.11087	1.6
212.08258	1.9
213.05440	1.8
213.09097	4.1
213.12744	2.2
215.06976	1.2
215.10646	0.9
219.08035	3.0
219.11703	1.5
220.08856	1.1
221.09557	3.4
222.10379	1.6
223.07535	1.4
223.11115	4.6
224.08286	1.1
224.11903	1.2
225.09103	1.7
225.12727	12.9
227.07034	2.1
227.10626	2.1
228.07771	1.7
229.08537	1.4
229.12296	2.8
233.09621	1.1
234.10362	1.7
235.11186	5.7
235.14758	1.3
237.09071	11.4
237.12675	14.7
238.09853	5.4
238.13141	1.0
239.10583	2.3
240.11395	2.5
241.08521	4.9
241.12184	1.1
242.09439	0.7
243.10063	0.7
243.13774	1.3
247.11380	0.8
248.11685	0.7
249.12605	0.6
249.16298	1.0
251.10585	3.0
251.14221	1.4
252.11397	6.6
252.15002	2.5
253.12210	20.1
254.12650	0.7
255.10144	18.2
255.13730	5.3
256.10828	2.4
257.11545	0.8
257.24686	0.8
262.13501	0.6
263.14288	2.1
265.12207	5.5
265.15756	1.2
267.14575	1.0
267.17383	8.5
268.17682	0.8
269.11694	4.7
269.15469	0.8
270.12476	24.6
271.13150	6.0
277.15790	4.9
280.14557	2.1
282.15982	0.7
283.13254	6.5
283.16898	8.3
284.13962	3.6
285.18365	5.5
295.13760	0.9
295.16873	21.9
298.15598	5.1
312.32608	0.9
312.36169	12.0
313.17926	100.0
313.27347	20.3
313.36438	6.2
314.18320	6.3
314.27768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05294	1.1
55.05511	10.8
57.03430	3.3
57.06816	1.2
57.07075	11.1
62.06076	3.6
67.05493	3.5
69.07076	4.8
69.96539	2.1
69.96908	2.0
71.04988	8.8
71.08620	8.8
72.69401	1.0
73.06549	11.6
81.07038	4.2
83.08615	5.2
85.10188	2.5
89.06023	1.2
95.08591	5.7
97.10155	1.9
98.22844	1.4
98.97576	2.1
109.10136	2.4
122.21943	0.9
123.11658	1.1
141.56845	0.8
143.08589	2.1
152.06166	1.1
153.07002	3.2
155.08539	3.5
157.06477	2.5
157.10104	1.1
165.06998	3.9
168.05722	1.6
169.06392	1.2
169.10037	0.9
171.08043	22.0
171.11789	0.9
179.08543	1.5
181.06491	6.0
182.07175	4.3
183.08037	32.2
183.11575	4.2
184.05183	20.8
184.08664	2.4
185.05998	5.6
185.09621	1.2
187.07585	1.9
193.09929	0.9
194.64095	0.9
195.08058	2.5
197.05983	3.5
197.09770	1.3
197.13257	1.0
198.06741	33.5
199.07523	99.7
200.07922	4.3
201.12753	3.9
207.11725	1.5
208.08836	1.4
209.09543	2.2
210.10437	1.3
211.07530	8.0
211.11182	5.9
212.08272	8.3
213.12767	3.3
219.82745	0.9
223.11174	1.6
225.09325	1.5
225.12708	15.0
227.10648	100.0
228.11079	5.5
229.12206	13.8
241.12228	21.6
243.13718	1.6
252.22969	0.9
253.12280	11.5
255.13643	2.2
257.24893	1.0
267.17468	1.3
271.13278	11.6
295.16968	5.9
312.32562	17.9
313.17978	9.2
313.27356	12.9
313.32870	10.9
314.34143	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	313.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05257	1.4
55.05508	5.6
69.55906	1.6
69.65024	3.0
69.65411	2.9
71.04993	7.6
73.06557	8.4
76.71810	1.4
76.80650	1.3
95.26729	1.5
110.31522	1.4
128.06197	1.9
140.80946	1.4
153.06984	4.0
155.08560	12.3
156.09271	1.5
157.06548	1.9
159.08102	1.5
165.07065	4.4
168.05734	3.3
169.06480	2.2
169.10158	2.1
171.08043	21.0
180.09337	1.4
181.06450	7.9
181.10147	1.4
182.07245	4.3
183.08049	33.7
183.11655	7.1
184.05176	18.1
184.08589	3.5
185.05975	3.5
185.09665	2.1
186.10403	1.8
187.07494	2.2
193.06355	2.0
193.10117	2.7
195.08072	5.7
195.11798	1.4
196.08904	2.6
197.05989	3.9
197.13339	1.5
198.06750	30.5
199.07524	100.0
199.11252	3.3
200.07904	3.2
201.09042	1.6
201.12759	6.1
207.11687	4.5
209.09648	4.3
210.10368	4.1
211.07616	9.6
211.11182	8.5
212.08276	7.3
213.08813	1.5
213.12758	5.4
223.11116	3.1
224.11906	1.6
225.09221	2.9
225.12708	18.8
227.10661	91.8
228.11073	4.7
229.12233	31.2
235.11188	4.5
237.09076	1.9
238.09903	3.7
239.10606	2.8
241.12224	23.3
242.12604	1.7
243.13916	2.0
253.12227	12.7
253.15869	23.0
254.12643	2.0
255.13696	1.6
257.11722	7.4
264.26410	2.0
267.17343	3.2
270.12497	2.2
271.13245	11.3
281.11719	13.8
285.14822	2.5
295.16962	7.3
312.32404	1.5
313.14316	16.5
313.17941	10.8
314.34232	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1795
Annotation	Crocetinsemialdehyde
Peak:m/z	Relative Intensity
51.55563	0.9
51.55814	0.9
53.03942	1.6
55.01865	2.0
55.05503	5.7
57.03430	1.4
62.33920	1.0
65.03928	4.8
67.05495	6.6
69.03418	6.2
69.07067	3.7
69.21050	0.9
69.81364	2.8
71.01356	6.0
73.33999	0.8
77.03922	1.1
79.05487	2.1
81.03416	15.3
81.07053	8.7
83.08612	2.1
85.02883	4.8
91.05467	5.0
93.03400	3.5
93.07031	3.4
95.04955	2.8
95.08594	17.4
95.44600	0.9
97.02875	1.7
97.06555	2.3
98.23420	1.1
98.97594	0.9
99.04461	2.6
99.08086	1.3
103.05479	1.7
105.07019	5.3
107.08553	2.2
108.02065	2.7
109.02883	6.4
109.10136	6.0
111.04441	4.2
111.08083	1.0
115.05471	1.4
117.06978	1.5
118.88423	1.0
119.04925	1.8
119.08551	4.6
120.08086	1.6
121.10098	1.1
123.04444	6.1
123.08068	1.8
123.11670	2.3
125.05988	3.6
127.03901	2.5
128.06209	2.0
129.07008	3.2
131.04926	4.3
131.08546	2.6
133.06458	5.1
133.10136	3.3
137.02341	17.0
137.03368	2.2
137.05991	4.0
141.05489	1.0
141.06996	3.9
142.07750	1.0
143.08583	3.6
145.06470	3.0
145.10147	4.5
147.04355	2.9
147.08049	18.2
147.11696	1.1
149.05952	4.7
149.09595	2.7
151.03894	100.0
151.04994	7.7
151.07562	2.8
152.04260	3.2
152.06172	1.3
153.06996	3.0
154.07756	2.1
155.08585	6.1
156.09299	1.8
157.06516	3.9
157.10104	3.1
158.07274	5.8
159.04475	1.3
159.08054	8.1
161.05975	4.1
161.09612	6.2
163.03912	1.1
165.07001	12.4
166.07814	1.0
167.08569	3.6
168.09354	1.3
169.04965	4.8
169.06490	4.2
169.10103	5.6
170.07269	1.8
171.08058	7.0
171.11693	2.8
172.08815	1.7
173.09604	42.8
174.09973	1.5
175.03876	1.0
175.07567	5.7
175.11165	1.0
176.06245	2.7
177.05482	3.6
177.06992	2.7
178.07785	1.0
179.08551	2.1
181.06483	2.9
181.10158	1.3
182.07332	1.7
183.08025	9.7
183.11713	4.3
184.08788	2.6
185.09584	15.6
186.10204	1.4
187.07541	5.5
187.11163	6.3
189.09088	3.6
192.09106	1.0
193.06441	6.4
193.08253	1.1
193.10144	2.7
195.08054	2.3
195.11687	2.1
196.08824	3.7
197.05975	19.1
197.09602	26.1
197.13365	1.6
198.06314	1.3
198.10246	2.4
199.07550	2.9
199.11185	13.0
201.09094	15.9
201.12720	1.7
203.05009	1.1
205.06488	8.8
207.11722	2.2
209.09641	2.4
210.06720	1.5
210.10324	2.7
211.07593	8.6
211.11154	21.2
211.14519	1.0
212.11632	1.2
213.09169	4.6
213.12720	6.0
215.07050	3.0
215.10632	4.5
217.08728	1.4
219.10107	6.8
221.05939	24.1
221.09494	1.9
222.06340	1.9
223.07553	19.5
223.10880	4.5
224.08083	1.4
224.11902	2.7
225.05463	12.3
225.09099	12.9
225.12689	21.0
226.13303	1.1
227.10651	17.7
229.08638	2.3
231.10069	1.3
233.06026	7.4
237.12653	2.2
238.13525	2.8
239.07002	10.2
239.10620	12.7
239.14139	4.4
240.15044	2.9
241.12277	2.3
243.06476	14.1
243.10153	2.6
245.11652	2.2
249.05455	21.0
250.06232	2.8
251.07043	11.1
252.11267	1.3
252.15088	1.4
253.04955	3.5
253.12222	4.7
257.08017	1.8
257.11719	10.9
267.06494	22.9
267.09717	1.6
267.17407	68.2
268.06958	3.6
268.17746	3.8
269.08041	2.4
269.19025	7.1
271.06039	7.1
271.13287	2.0
277.04929	7.2
278.05304	1.8
285.07578	18.9
285.18436	18.6
295.05408	15.7
295.08420	6.2
295.16934	36.9
296.17294	1.9
313.07013	33.4
313.18167	52.4
314.07297	2.3
314.18201	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	313.1796
Annotation	Centrolobine
Peak:m/z	Relative Intensity
53.03925	3.0
55.01848	3.8
55.05501	4.4
57.03424	6.6
57.07071	2.2
64.81853	1.5
67.05499	21.7
67.73028	1.6
69.07051	3.7
70.01942	3.7
70.02270	1.6
79.05486	5.6
81.03411	40.6
81.07053	8.2
83.04982	2.8
83.84682	1.4
85.06535	1.9
91.05470	10.7
93.07042	11.0
95.04966	35.7
95.08604	25.3
97.06553	2.2
98.97578	4.6
105.07038	15.1
107.04955	4.7
107.08570	7.0
109.06519	19.0
109.10178	3.3
116.98620	3.9
117.06988	3.5
119.08587	7.9
120.85221	1.6
121.06514	19.7
121.10146	6.0
123.04477	3.3
123.08063	79.5
125.09644	1.9
131.08566	4.9
133.06496	4.0
133.10139	12.9
135.08058	8.1
135.11653	2.3
137.05966	1.9
142.07762	2.3
143.08585	4.7
144.06337	8.2
145.06502	8.2
145.10123	6.2
147.08015	8.4
147.11682	5.6
149.09612	7.6
149.96175	1.8
151.07565	3.1
151.11176	3.4
155.08546	6.2
156.09293	2.5
157.10126	5.6
159.08006	4.1
159.11674	6.2
160.08817	1.8
161.06042	2.0
161.09599	13.5
163.11200	4.5
167.08691	1.9
169.10080	5.2
171.08014	2.4
171.11696	4.9
173.09616	5.3
173.13292	6.5
175.11177	3.9
177.12805	3.2
181.10173	4.8
182.07320	2.0
183.08087	5.1
183.11699	5.4
185.09619	9.5
185.13326	1.9
186.10201	2.5
187.11166	3.5
189.12779	2.1
190.13496	2.8
191.14294	10.0
195.11700	3.3
196.08815	2.5
197.09612	5.7
197.13280	2.2
199.11124	4.1
201.12724	2.2
203.10628	2.2
205.12241	12.4
207.11722	2.5
209.09634	3.4
211.11148	9.6
211.14708	3.0
213.12772	3.8
215.10692	2.6
215.14285	2.2
219.13760	14.6
220.12523	1.9
222.10326	2.3
223.11124	3.5
225.12692	4.3
227.10692	2.3
229.12219	5.0
231.13841	2.7
239.14330	8.6
240.27383	1.8
241.15981	2.0
244.70245	1.9
253.15822	5.5
255.13805	5.4
257.15332	6.2
267.13739	3.6
267.17453	3.6
269.15265	2.6
270.16098	3.6
271.16827	3.3
285.18530	6.7
290.94501	2.2
295.16931	17.8
298.15784	2.1
313.17944	100.0
314.13931	1.8
314.18152	4.9
332.63858	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90050	1.4
57.07073	3.3
59.04999	2.9
63.45818	1.2
64.63648	1.4
71.08724	1.8
72.71875	1.3
76.43136	1.3
79.81143	1.2
84.77163	1.4
100.06439	1.5
109.58098	1.3
153.07022	1.8
155.08578	4.8
156.09351	2.6
163.66119	1.4
165.06892	2.7
167.08524	4.6
169.06471	1.4
171.08035	1.6
171.11711	3.2
174.18513	1.8
178.07825	1.8
179.08521	7.1
180.05722	3.6
181.06465	7.4
181.10118	4.9
183.08032	1.5
184.08789	2.3
190.77477	1.3
192.09261	1.6
193.10136	2.9
194.10869	3.4
195.08041	17.9
195.11708	2.6
196.08742	3.3
199.11188	6.6
202.21967	1.4
204.09377	2.4
205.10052	2.5
207.08075	4.5
207.11566	1.9
208.08821	1.7
209.09554	5.7
209.13271	5.0
211.11165	2.9
212.08304	14.3
219.08147	1.5
219.11650	8.5
220.08853	2.0
220.12280	2.1
221.09563	8.2
222.10382	10.4
223.11151	4.5
224.11913	4.5
225.09181	1.7
227.10637	33.7
233.09578	2.1
235.11185	11.1
235.14671	2.3
236.11919	1.7
237.12720	100.0
238.13081	3.0
239.10646	5.7
241.12053	1.5
245.11673	7.0
247.11150	6.5
248.11964	2.0
249.12650	3.7
251.14249	2.1
253.12146	2.9
254.12984	2.0
255.13795	13.1
261.12708	4.2
262.13498	12.8
269.15381	4.2
277.15860	43.3
278.16241	2.3
295.16843	17.8
313.14203	4.4
313.17886	5.0
314.34143	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	313.1796
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
55.05490	13.4
57.07065	9.3
59.04992	11.0
59.76205	4.0
67.05493	7.1
70.06586	6.7
71.08610	4.9
71.19839	5.3
76.83537	4.9
81.07022	9.5
83.04964	24.9
83.08591	5.5
92.23952	4.1
95.08586	13.8
98.97562	6.5
115.05323	3.5
128.62959	3.5
141.06967	6.5
155.08534	5.9
157.10072	5.6
159.07976	4.7
165.06958	9.0
167.08516	10.3
169.06476	8.4
169.10081	4.1
171.08006	6.4
179.08595	11.3
181.06491	8.1
181.10179	4.8
183.08037	28.6
183.11627	8.0
185.09491	6.8
192.09340	6.5
193.10097	8.1
195.08035	37.5
196.08643	5.2
197.05991	16.1
197.09607	7.3
198.06758	7.2
199.07495	11.9
199.11250	4.7
207.08058	6.8
207.11687	10.4
209.09564	16.4
210.06688	5.7
211.07510	16.3
211.11255	7.5
212.08289	13.8
213.09155	26.6
213.12677	8.2
215.06987	8.6
215.10638	13.1
219.08041	18.3
220.08754	8.2
221.09569	14.7
225.09039	12.1
225.12692	21.0
227.10655	13.0
229.12206	14.4
235.11143	34.2
237.08960	17.3
237.12721	89.0
238.13182	6.8
239.10609	17.0
239.14406	6.1
240.11256	6.0
241.12233	8.8
243.06497	15.8
243.10159	7.2
249.16299	7.7
251.10681	8.2
251.14302	9.7
252.11499	30.1
253.12224	42.4
253.15781	14.2
254.12947	16.5
255.13747	24.0
257.11807	5.3
258.27823	5.3
261.12769	7.1
265.12238	5.7
267.13773	15.8
267.17270	18.1
267.20004	4.1
269.08099	5.4
269.15311	73.2
271.13275	10.0
277.15814	34.4
280.14807	9.2
295.13242	10.6
295.16873	100.0
296.17233	7.3
312.32465	14.7
312.35977	4.7
313.10846	7.0
313.14212	23.1
313.17886	46.7
313.23584	6.1
313.27066	5.2
313.32785	13.8
314.14117	8.6
314.34076	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	313.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73226	2.0
55.01864	5.2
55.05513	21.6
57.03428	8.1
57.07071	35.6
63.06033	1.9
63.69486	2.4
65.03941	3.4
67.05501	31.2
69.07063	26.2
70.72279	3.0
71.04987	4.3
71.08624	23.0
79.05478	22.2
81.07051	75.8
83.04920	2.7
83.08614	14.7
85.06553	21.6
85.10182	13.9
87.99517	1.9
91.05469	32.1
93.07035	57.4
95.04960	8.3
95.08598	63.8
97.06535	5.2
97.10177	6.6
98.97595	3.8
99.08070	3.0
105.07025	70.7
105.07739	4.0
107.08586	42.0
107.09265	3.6
109.06525	3.6
109.10146	31.2
111.08073	8.4
116.98627	3.1
117.07031	8.7
119.08566	55.9
121.06502	2.8
121.10117	31.9
123.08152	2.3
123.11691	11.9
129.07037	2.7
131.08568	22.7
133.10114	38.3
135.11653	18.2
136.80307	2.0
137.13255	4.1
142.07716	3.1
143.08553	14.8
144.09354	2.9
145.10107	39.6
147.11667	40.9
149.13208	14.3
153.12601	2.3
155.08475	4.8
156.09363	3.2
157.10127	23.8
158.10907	3.1
159.11681	45.7
161.13255	30.2
163.14778	4.7
165.51398	2.2
169.10173	5.7
171.11655	17.4
172.12390	2.3
173.13272	26.1
175.14827	8.7
182.10948	2.4
183.11693	8.9
185.13252	18.1
187.11198	2.5
187.14801	24.2
189.12720	4.4
189.16370	12.8
193.52325	2.2
197.13214	6.9
199.14767	17.0
201.16385	16.7
203.17970	3.9
211.14774	4.9
213.16328	25.5
215.17950	17.0
217.15851	5.2
225.16380	5.1
227.17943	5.1
239.18027	10.3
241.19669	3.2
253.19543	5.9
255.21056	5.9
257.18921	2.8
269.22748	4.4
295.24191	29.6
296.24524	2.5
298.92676	2.6
313.24655	100.0
313.32968	2.9
313.36646	7.8
314.13919	3.1
314.25488	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	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	11.9
57.03430	19.1
57.07072	69.7
61.98211	1.9
67.05491	13.8
69.07049	10.4
71.08624	38.9
80.32114	2.0
81.07052	20.0
83.08603	10.7
84.23038	2.5
85.10172	20.8
95.08592	22.0
96.11983	2.0
97.10162	8.3
98.97625	2.3
99.51031	2.3
109.10131	13.9
111.11764	3.0
123.11655	5.4
199.07555	2.7
202.54079	2.5
227.10597	2.8
239.23593	4.5
243.10123	3.2
249.16209	2.3
257.24759	3.6
267.13556	2.7
269.15295	4.7
299.11591	2.8
312.71423	2.5
313.10773	3.7
313.14304	4.9
313.17856	5.9
313.27338	100.0
313.32788	4.1
314.13669	5.1
314.27756	4.5
314.34161	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.4
55.05753	1.3
57.03432	19.9
57.07071	67.7
60.08153	1.7
62.06099	1.3
62.98236	1.2
67.05492	13.9
69.07061	8.9
69.11320	5.0
71.08624	41.5
72.08964	1.3
81.07049	16.6
83.08617	11.7
85.10178	22.3
89.06026	4.1
93.07034	1.1
95.08601	24.2
97.10179	5.9
98.97567	1.2
99.11735	1.0
103.07581	1.5
109.10155	9.9
111.11714	2.1
117.09161	1.2
121.10151	1.1
123.11706	5.1
125.13248	1.4
136.40504	1.0
137.13251	2.3
152.52032	1.0
219.63333	1.0
239.23666	2.7
257.24744	5.5
295.12988	1.7
312.36258	3.2
313.11023	1.4
313.14230	3.8
313.17685	2.9
313.27332	100.0
313.36603	4.5
314.14035	2.1
314.27753	4.6
314.34000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14225	0.7
55.05509	8.3
57.03432	20.2
57.07071	64.8
60.08154	0.9
61.23072	0.7
67.05501	12.8
69.07062	11.7
69.67083	0.7
69.98494	2.0
71.04950	0.8
71.08626	38.2
79.05491	1.8
80.35374	0.7
81.07052	15.9
83.08614	13.7
85.06541	0.9
85.10176	20.6
89.06007	2.8
93.07046	1.7
95.08598	23.9
97.10175	5.9
99.11730	1.8
103.07584	2.7
107.08569	0.9
109.10131	11.7
111.11664	1.0
113.13276	1.2
123.11700	4.1
137.13223	2.0
141.58130	0.8
151.14807	0.8
191.72417	0.8
193.10236	0.9
197.05699	0.8
227.10751	1.4
237.12755	1.5
239.23633	4.9
243.10114	2.0
252.15295	1.7
257.24734	5.6
267.14020	0.8
267.17447	3.4
286.27298	1.0
290.94955	0.9
295.13199	1.1
295.16626	0.9
312.36111	1.8
313.14209	2.3
313.17889	2.1
313.27335	100.0
313.36646	3.5
314.13794	1.2
314.27652	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	314.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.4
56.96518	0.6
63.29829	0.6
68.10983	0.5
69.07015	2.6
70.49989	1.0
70.50329	0.9
83.04916	2.0
84.05285	0.9
95.08537	2.1
95.70654	0.6
98.23269	1.0
98.97574	2.9
105.47400	0.6
107.04908	0.8
116.98579	2.4
129.06963	0.9
134.99635	0.7
141.06946	2.8
142.07297	2.9
143.04863	0.9
144.07379	0.7
144.08807	0.7
155.08517	1.5
156.08881	1.0
157.10107	1.5
165.06949	0.8
166.07410	1.5
167.08397	0.8
168.08931	0.7
169.06387	2.4
169.10027	1.1
170.06807	3.2
170.10414	1.3
171.07874	1.2
179.08304	1.9
180.08833	1.8
183.08006	3.1
184.08397	5.7
185.09621	3.1
186.09933	5.4
188.07822	1.1
189.09001	0.9
192.08949	1.9
193.09746	1.3
195.07956	1.5
196.08295	0.9
197.05949	12.6
197.09547	0.8
198.06294	25.9
198.13535	0.7
201.09077	0.9
203.35896	0.7
206.10738	0.8
207.07846	0.9
207.11285	3.2
208.08412	2.0
208.12061	1.0
210.09938	2.5
211.07420	1.2
211.10861	1.3
212.07887	2.8
212.11433	1.4
213.09082	8.0
214.09491	2.5
217.09650	1.3
219.08060	0.7
220.08379	3.2
221.09206	2.3
222.09958	1.5
222.13541	2.6
223.11006	0.8
224.07933	2.6
225.08775	1.7
225.12572	1.8
226.09445	1.4
226.13057	8.2
231.10040	1.7
232.11787	1.3
234.10088	1.2
235.07700	0.7
235.10768	6.1
236.07826	2.8
236.11441	2.0
238.09373	3.8
239.10464	1.4
240.07268	0.7
240.10968	1.6
240.14622	1.4
241.12202	1.0
243.06537	0.8
244.06854	2.4
248.07854	2.8
249.08655	1.3
249.12643	1.4
250.09413	1.0
250.10350	1.1
250.13051	14.2
252.11023	0.8
252.14651	1.9
253.08264	1.1
253.11794	2.0
254.08832	1.0
254.12598	2.0
259.13202	0.9
260.11603	1.1
262.09613	0.8
263.10190	5.4
266.09012	3.1
266.12347	0.6
267.09778	1.1
267.13748	5.6
268.14120	84.4
269.14404	3.1
278.12540	11.1
279.17236	1.0
281.11270	11.0
286.15247	0.6
290.94571	1.1
295.12897	0.7
296.13605	100.0
297.14001	2.8
297.18512	5.5
314.14624	46.0
315.06262	1.6
315.14957	1.5
315.19547	4.2
323.42953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94106	0.6
57.84185	0.7
69.06949	1.5
69.07269	0.8
69.88599	0.9
69.88924	1.3
83.04828	2.0
98.22771	0.7
98.97420	2.1
109.36111	0.7
116.98450	1.5
141.06804	2.4
142.07176	2.5
143.04776	0.7
143.07948	1.2
144.05093	0.8
156.08763	1.0
166.07225	1.2
169.06334	1.9
170.06834	3.6
170.10345	1.3
172.08345	0.7
179.08197	1.2
180.08719	2.5
182.10408	0.7
183.07820	2.7
184.08388	5.8
185.09499	1.6
186.09943	5.9
188.07785	0.9
192.08842	1.5
193.09659	1.0
194.10381	1.5
196.08385	1.0
197.05940	10.0
198.06294	25.3
204.08894	1.1
205.09555	0.7
206.10686	0.8
207.07787	1.0
207.11313	3.1
208.08275	2.5
208.11897	1.6
210.09830	2.1
211.07414	1.4
212.07721	2.5
216.07178	1.0
216.10863	1.1
217.09685	0.8
219.07874	0.8
220.08398	3.2
221.09052	2.2
222.09930	1.3
222.13515	2.1
223.07373	0.9
224.07820	1.1
224.11371	1.0
225.08649	1.9
225.12511	2.3
226.05672	1.4
226.09377	1.9
226.13057	8.9
232.12201	0.8
233.09264	0.9
235.07173	1.0
235.10785	6.5
236.07918	3.9
236.11337	1.1
237.08707	1.3
237.12355	0.7
238.09264	2.0
238.12964	1.8
239.10185	1.1
239.13245	1.0
240.10913	2.1
240.13808	2.0
244.06773	3.5
245.09473	0.7
248.07768	3.2
248.11198	0.8
249.08612	1.5
249.12788	0.8
250.09395	1.0
250.10272	0.7
250.13113	11.2
252.07335	1.5
252.10678	1.1
253.08261	1.6
253.11607	2.3
254.12198	1.6
255.09636	0.7
255.13597	1.3
257.10193	1.3
260.11249	0.9
262.09515	1.5
263.10309	5.0
264.10721	0.9
266.08875	1.8
266.12320	0.9
267.09488	1.4
267.13766	4.7
268.14114	73.2
269.07538	2.0
269.11752	1.1
269.14450	2.9
276.10812	0.9
278.12573	12.4
278.15372	0.7
279.13461	1.4
280.10934	0.8
281.11249	10.9
284.13580	1.9
285.14081	0.8
286.10785	1.6
286.14084	9.6
295.13120	0.8
296.13599	100.0
297.14127	3.5
314.14609	39.9
315.06738	0.8
315.15240	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	314.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49956	4.2
70.02518	12.6
103.74098	4.5
109.66582	4.1
113.98660	4.9
189.06856	8.5
202.07721	5.2
203.08487	12.0
203.36943	4.6
204.09309	34.2
217.00198	4.7
219.11658	38.4
232.08852	13.7
235.11206	6.3
237.08878	4.8
247.11188	69.7
250.09888	5.9
258.18710	5.7
265.12216	100.0
281.20963	4.9
283.13220	14.3
297.11145	7.8
297.14279	5.3
314.14215	12.8
314.26804	4.7
315.06229	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	314.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98955	1.3
57.07058	3.6
59.20334	1.3
69.25986	8.4
74.84131	1.4
81.07067	2.0
84.70823	1.5
181.06445	2.5
195.08185	1.4
195.11674	7.5
207.07896	2.1
208.08809	2.6
222.10370	2.3
223.11154	27.1
224.11578	1.7
225.09088	6.1
237.12685	1.9
237.16345	4.5
240.11395	10.4
241.12123	7.2
254.12999	1.9
265.15836	11.8
283.16879	100.0
284.17337	3.8
313.36526	4.2
314.27768	5.2
314.34045	3.2
322.37152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
56.05835	0.4
57.02277	0.4
57.07072	12.0
58.06603	2.6
60.63796	0.3
62.05779	0.6
62.06083	7.2
62.21297	0.4
69.68204	1.1
71.08628	5.2
72.08150	0.4
83.04965	0.5
85.06525	0.5
85.10155	2.1
91.05502	0.5
98.97580	1.5
105.07008	0.7
116.98602	0.8
123.31672	0.4
129.07011	0.9
131.08582	0.6
134.99625	0.5
140.99037	0.3
142.07719	0.7
143.08531	1.2
145.10222	0.4
153.07036	0.4
155.08533	1.4
156.17392	0.7
157.10080	1.2
174.18489	2.1
177.99490	0.4
179.41225	0.4
184.20583	0.8
195.11696	1.3
202.21632	2.1
213.12714	2.3
229.12137	0.6
240.26816	6.6
256.26093	0.4
258.27896	29.9
259.28278	1.7
290.94635	0.5
295.53912	0.3
296.17154	0.4
301.69910	0.4
314.14197	0.8
314.18124	0.9
314.34122	100.0
315.19431	1.3
315.34473	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	315.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	15.8
62.06070	4.1
66.49220	2.1
67.05514	2.2
69.07037	3.9
69.94160	8.3
71.08621	5.8
95.08636	3.0
97.10064	3.5
97.95889	2.1
98.23386	2.6
98.97545	2.8
125.05070	2.5
149.05914	2.6
174.18544	4.6
189.09096	3.2
202.21727	3.9
258.27902	7.7
259.13269	2.9
297.14804	2.9
314.28311	9.2
314.34119	100.0
315.15973	4.7
315.19498	16.9
315.28766	3.9
315.34460	28.6
316.32019	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	315.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
55.57882	1.5
57.07075	13.7
58.06575	2.7
62.06081	4.8
67.65637	1.7
69.25989	8.4
69.81645	2.0
71.08630	7.0
71.55161	1.7
72.08192	1.8
83.13994	1.6
86.15928	1.8
96.69457	2.1
98.97588	2.4
103.19937	1.6
130.64444	1.7
156.17499	1.9
174.18546	5.7
202.21625	3.8
213.09035	3.4
240.26852	2.1
247.70618	1.7
258.27917	16.7
259.28253	3.1
272.58145	1.8
297.14850	4.2
297.17944	1.9
314.34128	100.0
315.10135	3.9
315.19482	13.5
315.34491	30.1
316.32098	3.0
320.71109	2.0
326.80042	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	9.7
58.34131	2.3
62.06074	5.1
62.98243	2.7
71.08637	3.8
72.08170	3.3
77.97105	2.0
79.33182	2.3
81.07059	2.4
92.17764	2.3
95.08620	3.6
98.97577	4.7
116.98624	3.0
149.10378	2.3
172.46143	2.5
174.18510	6.6
188.05495	2.5
198.53305	2.5
199.07375	2.4
199.79922	2.4
215.10614	2.5
240.26828	4.4
258.27975	9.6
266.57550	2.5
297.14764	4.4
314.18356	4.0
314.28314	6.9
314.34122	100.0
315.07428	3.8
315.15811	4.1
315.19232	49.0
315.34485	33.8
321.74509	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0859
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.13313	0.6
55.04013	0.4
61.10770	0.5
62.56479	0.5
66.94061	0.5
69.96693	1.3
71.38239	0.5
77.34157	0.4
94.04189	0.5
95.01384	0.8
98.22781	0.5
98.67457	0.5
115.86254	0.4
121.02863	9.2
121.03790	0.6
122.03715	0.5
149.54416	0.5
150.03102	3.7
151.03928	0.7
159.16405	0.4
198.06830	0.6
201.05505	2.1
207.02895	0.8
213.05408	1.2
215.03360	1.1
226.06284	1.1
227.06990	1.3
229.04915	7.6
241.04874	0.9
243.06558	1.6
253.05177	0.5
254.05888	0.6
257.04395	18.2
258.04678	1.4
269.04224	0.8
270.05322	0.9
271.05966	13.7
271.08914	0.7
272.06723	7.0
283.06082	0.7
284.03253	1.2
299.05472	30.9
300.06247	65.2
301.06604	3.7
315.08588	100.0
316.08984	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	315.0989
Annotation	Dibenzthion
Peak:m/z	Relative Intensity
69.65991	0.9
69.66319	2.4
73.40620	0.7
74.15963	0.6
75.47475	0.7
77.77357	0.7
98.22755	0.9
142.10374	0.8
152.06128	0.8
188.99226	0.8
244.29140	0.8
297.18210	1.7
314.34140	6.1
315.09875	100.0
315.19080	3.2
315.34457	3.1
316.10229	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	315.1049
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
51.02448	0.4
56.96555	0.9
69.72427	0.4
69.94795	0.4
70.35556	0.8
71.04980	1.3
96.04490	1.1
98.97575	1.7
116.98689	1.0
134.99622	0.5
139.04994	0.6
153.05260	0.9
163.03873	0.5
165.06612	0.5
169.06097	1.0
185.04175	0.9
193.06171	0.6
208.96147	0.4
215.84897	0.4
223.07187	1.2
315.10468	100.0
316.10861	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	315.1224
Annotation	Magnaldehyde C
Peak:m/z	Relative Intensity
60.34397	0.5
60.38621	0.5
69.72976	1.7
70.93138	0.6
85.94975	0.5
86.68254	0.5
93.60320	0.6
95.96278	0.5
106.51002	0.5
128.06210	0.6
129.06967	0.7
131.08588	0.6
141.06923	0.8
153.06981	1.5
155.08498	0.8
157.06509	4.4
159.08002	1.2
165.06982	6.3
166.07712	1.5
167.08517	3.1
169.06441	1.6
171.08041	0.8
178.07727	0.9
179.08521	2.3
180.09334	7.3
181.06485	2.6
181.10110	4.1
185.05952	0.6
189.07050	0.8
190.07761	4.0
191.08498	1.4
194.07233	1.7
195.07996	4.4
195.11665	10.4
199.07471	1.4
199.11162	2.2
205.10123	6.0
207.08072	1.8
208.08800	7.6
209.06000	0.8
209.09608	10.9
212.08179	0.9
213.09154	1.0
215.08609	1.0
216.07965	0.6
218.07278	2.1
219.08098	0.5
221.05974	0.6
221.09831	0.7
222.06595	0.6
223.07521	2.1
223.11148	43.4
224.11461	2.0
225.09209	0.6
226.09842	0.7
227.07039	4.4
227.10547	1.9
228.07687	1.9
233.09619	5.7
235.07515	1.3
236.08311	7.9
237.08965	2.0
239.06993	0.8
240.07796	1.0
241.08603	3.0
241.12173	3.1
242.09325	4.0
251.10648	50.1
252.11090	2.4
254.09364	5.1
255.10045	1.1
264.07541	0.8
269.11694	69.0
270.12054	2.3
279.10123	6.4
297.11182	100.0
298.11533	5.5
315.12234	33.8
315.15109	0.7
316.12454	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1225
Annotation	Magnaldehyde C
Peak:m/z	Relative Intensity
51.81916	0.4
55.05489	0.5
67.05481	0.6
69.03396	0.4
69.48827	1.7
69.59964	0.4
77.73994	0.4
92.25397	0.4
95.08561	1.6
115.05428	0.8
121.02876	0.8
123.04420	0.4
127.05410	0.5
128.06187	0.7
129.07047	0.8
141.06949	1.0
143.08553	1.0
153.06981	1.4
155.08493	1.0
157.06497	3.4
159.08012	1.4
165.06973	6.3
166.07721	2.3
167.08516	3.7
169.06470	1.5
171.08049	0.8
177.06973	0.6
178.07748	1.4
179.08488	2.1
180.09309	7.3
181.06506	2.6
181.10104	4.6
182.07198	0.6
183.07988	0.7
185.05951	1.0
187.07437	0.6
189.06970	0.6
189.09042	1.2
190.07779	4.5
191.08406	1.2
192.09386	0.6
193.06488	0.7
193.10086	0.7
194.07271	2.5
195.08035	4.3
195.11691	8.6
197.06018	0.4
197.09605	0.5
199.07510	1.2
199.11101	2.7
201.09036	0.5
202.07693	1.2
203.08528	0.7
204.09297	0.7
205.08308	0.8
205.10110	8.5
206.10680	0.5
207.08066	1.7
208.08830	9.3
209.06010	1.4
209.09596	11.2
210.06686	1.0
211.07567	0.9
212.08325	0.5
213.09064	2.0
215.08705	0.9
215.10611	0.6
216.07771	0.5
218.07275	2.3
219.08070	0.8
221.05992	1.1
221.09531	0.5
223.07523	2.7
223.11157	41.9
224.08188	0.6
224.11424	1.1
225.09061	0.4
226.09938	0.6
227.07054	5.2
227.10567	2.0
228.07663	1.2
233.09604	6.9
233.26828	0.4
235.07571	0.8
235.11142	1.4
236.08305	7.7
237.09036	1.9
238.06198	0.9
238.96924	0.4
239.07036	1.0
240.07738	1.2
241.08502	2.7
241.12244	3.1
242.09338	4.4
251.06929	1.7
251.10658	45.1
252.11063	2.2
254.09357	5.6
255.10098	1.3
261.09167	0.9
264.07596	0.5
267.56503	0.5
268.10904	0.6
269.11707	61.1
270.12125	2.2
279.10129	10.6
297.11194	100.0
298.11511	4.5
315.12241	30.7
315.19522	2.1
316.12595	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45472	0.5
67.05477	0.6
73.70887	0.5
82.21714	0.6
83.04958	0.5
90.98318	0.5
91.05463	0.7
95.04918	0.6
95.62695	0.6
105.06996	1.5
109.06454	0.6
115.05433	1.5
121.02821	0.6
129.06932	1.0
131.08508	1.1
141.06993	0.8
142.07767	0.6
143.04880	0.6
143.08475	0.9
145.06412	0.8
147.08028	0.7
153.06955	1.1
155.08513	2.0
157.06444	2.8
159.08009	1.6
161.05991	0.9
161.09547	0.5
165.06944	6.2
166.07733	2.4
167.08575	3.3
169.06458	5.7
169.07706	0.9
169.10072	0.9
171.08115	0.6
171.11624	0.6
177.06973	0.5
178.07695	0.8
179.08537	2.4
180.09338	6.5
181.06544	2.4
181.10110	3.9
182.07204	1.1
185.05936	1.3
185.09558	0.6
189.07002	1.5
190.07767	9.2
191.08447	1.4
192.09238	1.3
193.06580	0.9
193.10106	0.6
194.07233	1.3
195.08066	4.3
195.09900	0.7
195.11676	8.4
197.09656	1.3
199.07491	2.5
199.11169	1.9
202.07678	0.9
203.08575	1.5
205.10121	19.5
205.12074	0.9
206.10599	0.7
207.07983	2.0
208.08818	12.6
209.06046	1.2
209.09595	11.5
210.06866	0.7
211.07480	1.2
211.11151	1.4
211.14932	0.7
212.08406	0.8
213.09102	1.7
215.08496	2.0
218.07303	6.1
219.07918	1.0
221.05922	1.4
221.09547	0.8
222.06651	0.9
223.07899	3.8
223.11153	37.9
224.08292	0.8
224.11440	1.3
225.09053	1.1
225.16248	0.9
226.09741	0.8
227.07054	3.3
227.10585	2.5
228.07724	0.7
233.09592	25.5
234.10054	1.0
235.07507	1.8
236.08286	9.6
237.09081	4.5
238.13612	0.8
239.06947	1.2
240.07756	1.8
241.08516	2.2
241.12193	2.5
242.09367	2.4
246.06770	1.2
251.10655	78.9
252.10924	3.5
253.08571	1.0
253.15797	2.8
254.09335	5.8
255.10043	3.0
261.09091	19.1
262.09525	1.3
264.07715	1.3
268.10831	1.7
269.11719	41.7
269.15121	2.5
270.12045	1.8
271.17154	0.6
273.11084	1.5
279.10138	46.3
280.10513	2.1
283.09766	1.6
297.11194	100.0
298.11514	5.1
315.12265	49.0
315.15753	4.3
315.19473	1.1
316.12570	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1225
Annotation	Magnaldehyde C
Peak:m/z	Relative Intensity
70.54439	1.8
103.20042	1.0
135.03293	1.0
141.06972	1.0
153.06975	1.7
157.03741	0.9
157.06467	3.4
157.59023	0.9
161.06044	2.4
161.09621	1.3
165.06995	3.9
165.36900	1.0
166.07748	1.7
167.08623	3.3
169.06490	6.2
178.04985	4.1
179.08534	3.0
180.07866	1.2
180.09293	6.1
181.06471	2.7
181.10124	3.3
182.07317	0.9
185.06027	2.3
189.09097	3.1
190.07753	10.0
191.08521	1.4
194.07335	1.2
195.08040	2.4
195.11685	8.9
205.10106	18.5
206.04483	3.9
206.10597	1.2
208.08813	13.8
209.09578	11.6
211.07536	1.2
213.09021	1.5
218.07233	6.8
221.05930	1.6
222.06783	1.4
223.07539	4.0
223.11148	40.4
224.11458	2.0
227.07042	2.9
228.07744	2.1
233.09612	22.5
235.07425	1.6
236.08273	10.2
237.09108	4.6
240.07738	1.6
241.12245	2.7
242.09303	2.8
251.10663	80.5
252.10971	3.7
254.09280	5.2
255.10139	1.5
261.09097	20.3
262.09515	1.8
268.10846	2.6
269.11722	37.6
270.11960	1.2
279.10129	42.5
280.10385	2.5
296.35004	1.0
297.11200	100.0
298.11530	5.3
315.12241	46.0
316.08157	5.7
316.12314	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1224
Annotation	Magnaldehyde C
Peak:m/z	Relative Intensity
55.05518	2.4
67.05473	3.2
67.35175	2.1
69.03431	3.1
69.95228	5.7
81.03412	2.6
81.07054	3.4
91.05461	6.0
95.08588	4.5
97.10157	2.9
104.47083	2.4
105.06994	3.3
115.05450	29.7
120.77509	2.4
123.04408	7.1
125.04855	2.5
128.06288	3.7
128.10718	3.1
129.07018	3.1
131.08531	3.3
137.02309	2.7
137.05948	4.2
138.02631	2.6
141.07001	2.9
143.04912	35.0
143.08531	2.6
145.02757	2.6
147.04346	3.1
147.08060	3.0
155.08569	3.3
157.06421	2.4
157.09966	2.1
159.04440	2.5
161.06007	21.5
161.09589	7.9
165.06985	9.9
167.08549	5.8
169.06494	7.8
171.08037	3.5
178.07745	15.0
179.08554	9.3
180.09367	5.9
181.06586	2.7
181.10126	4.6
183.08051	3.5
185.05994	2.5
187.03958	2.7
187.07529	2.7
189.09085	17.2
190.07805	5.7
193.06505	3.3
193.10089	18.8
195.08122	5.7
195.11717	7.4
197.05977	3.9
198.06248	2.4
199.07712	2.3
201.09190	3.4
203.08597	11.2
203.10339	2.8
205.06535	5.9
205.10135	9.7
206.07184	5.5
207.08031	9.2
208.08777	5.7
209.06015	4.1
209.09541	11.4
211.11188	2.6
213.09145	6.7
219.07947	2.6
221.06044	7.3
221.09592	100.0
222.06415	2.7
222.09964	5.5
223.07715	15.5
223.11111	26.4
224.07915	2.3
225.05464	5.2
225.08098	6.8
227.07104	3.1
228.07643	3.3
233.05986	4.5
233.09589	4.3
235.07288	2.2
236.08344	2.6
237.09023	5.9
239.07118	3.7
239.10645	4.5
240.07661	5.5
241.08513	5.0
245.07275	4.4
249.09100	71.9
250.09576	5.7
251.06937	13.4
251.10670	47.4
253.08711	13.3
254.09239	2.9
255.10190	9.3
266.09320	15.4
267.10144	37.4
268.10645	5.3
269.07794	13.1
269.11603	33.5
272.05624	6.5
279.05530	5.6
279.10153	37.0
283.09583	5.2
284.10406	12.0
287.08096	8.3
297.06451	3.5
297.11206	77.2
297.18365	2.9
298.11563	4.5
315.07687	17.3
315.12207	75.9
315.15823	17.3
315.19626	7.0
316.07721	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	315.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70312	0.5
70.96597	0.7
74.78274	0.5
108.55128	0.5
109.06458	0.8
115.05450	6.0
123.04436	1.4
136.47556	0.5
143.04897	6.7
159.04410	0.4
161.05928	1.6
167.26181	0.5
179.08551	0.7
181.06371	0.8
205.06500	0.7
223.07579	2.2
225.08246	0.7
251.06985	1.7
253.08286	0.5
269.07892	1.2
283.09277	0.6
297.07379	0.5
315.14093	100.0
316.14487	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	315.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.7
56.96555	0.5
61.12773	0.5
69.24979	3.1
70.06580	0.7
73.17412	0.5
74.47375	0.5
74.76192	0.6
79.05442	0.5
81.03384	0.7
89.03895	2.6
97.02851	0.5
98.23397	1.4
98.97580	0.7
107.04916	1.3
115.05442	3.0
116.98619	0.9
117.03362	3.4
123.04390	1.5
135.04410	9.1
143.04869	3.1
145.02829	5.4
151.03896	1.7
152.04181	0.7
153.04367	0.8
155.32928	0.5
163.03885	37.9
164.04185	1.0
172.09793	0.6
185.04115	0.7
199.36983	0.6
200.49321	0.5
212.80591	0.6
223.07507	1.2
233.05817	0.7
250.07832	0.5
251.07170	1.1
269.08038	1.0
315.14078	100.0
316.14426	4.6
316.17722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1588
Annotation	(-)-(aS,9S,9'S)-Alnusdiol
Peak:m/z	Relative Intensity
55.01859	1.2
59.04984	3.8
97.06486	1.0
105.07003	2.8
118.69517	1.2
123.04420	1.4
128.06216	5.7
129.06949	1.4
133.06514	1.3
141.06993	3.6
143.08517	4.2
152.06177	2.1
153.06979	4.3
154.07732	2.0
155.08525	12.3
157.10089	3.1
161.05954	3.6
165.05681	1.1
165.06902	6.2
166.07748	1.5
167.08546	8.2
169.06448	3.2
169.10081	2.1
170.07231	2.0
171.08047	1.7
178.07776	4.3
178.87428	1.0
179.08504	8.3
180.09248	3.4
181.06433	3.5
181.10097	3.3
182.07256	4.9
183.08081	1.6
185.09572	4.2
189.06918	1.2
190.07736	1.7
191.08434	2.8
192.09331	3.3
193.10176	6.1
194.07227	1.8
194.10869	2.0
195.08046	11.5
195.11652	2.9
196.08751	2.9
197.05907	1.8
197.09592	50.7
198.06779	3.6
198.09958	3.3
199.07530	36.3
199.09131	0.9
200.08020	1.9
202.07756	1.3
203.08511	8.7
204.09160	2.9
205.06564	1.5
205.10098	5.5
206.07127	1.6
206.10912	2.9
207.08003	1.3
207.11667	3.5
208.08792	3.0
208.12331	1.7
209.09547	5.3
209.13162	1.7
210.10362	1.6
211.07545	4.2
212.08212	2.9
213.05774	1.2
213.09085	30.4
216.09267	2.6
217.10031	2.5
218.10884	18.5
219.08018	4.0
219.11313	1.8
220.08806	5.2
221.09584	10.9
221.13217	4.8
222.06865	1.5
222.10213	2.8
223.07463	4.4
223.11118	4.9
225.05460	1.5
225.09100	6.1
225.12735	1.5
226.09828	7.6
227.10487	2.0
231.08049	2.2
231.10117	3.9
232.08809	2.0
233.09688	6.6
233.13217	22.4
234.10307	4.0
235.07324	1.4
235.11179	5.8
236.08223	1.8
236.11888	1.8
237.09167	2.5
237.12740	6.5
238.09831	8.0
239.06926	1.6
239.10654	19.5
241.08574	11.6
242.09030	1.3
243.11656	1.5
245.09589	3.3
246.10381	22.5
249.09151	1.1
249.12759	14.0
250.09813	1.7
251.10680	18.9
251.14331	4.0
252.11255	2.6
253.08438	1.3
253.12166	7.9
254.09157	1.4
254.12997	20.5
255.10376	4.9
255.13708	13.2
257.11661	2.3
261.12735	41.4
262.13049	3.2
264.11420	6.0
266.12988	3.0
267.10431	1.6
267.13760	25.5
269.07932	2.2
269.11526	3.6
269.15445	2.0
270.08203	1.3
271.08813	3.9
271.13290	1.2
273.14789	2.8
279.10159	6.6
279.13751	37.1
280.14090	2.9
283.09622	9.0
284.10190	1.5
285.15118	1.8
297.11261	4.5
297.14789	42.6
297.18170	2.0
298.15207	1.9
315.12225	6.3
315.15839	100.0
316.16257	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	isobacteriochlorin
Peak:m/z	Relative Intensity
55.05501	2.8
56.96527	0.6
57.07034	1.5
59.04953	1.9
60.04493	0.7
61.11179	0.5
62.98232	0.6
65.08244	0.5
67.05457	0.9
69.07008	1.4
69.82248	1.2
69.82641	1.0
70.06541	0.7
79.05436	0.7
81.07005	1.3
83.08569	1.6
95.08556	1.6
98.94717	0.4
98.97543	1.3
105.06960	0.6
109.10145	2.4
115.05417	1.0
116.98572	1.2
117.06977	1.4
128.06194	2.2
129.06999	6.8
131.04884	0.6
131.08511	1.2
134.99644	0.7
141.06966	4.2
142.07767	11.8
143.08594	4.1
144.09312	0.5
145.06506	0.7
145.10075	1.0
153.06943	2.4
154.07722	2.4
155.08546	9.7
156.09370	3.5
157.06453	1.1
157.08839	1.0
157.10112	13.7
159.04465	0.5
159.08105	0.7
159.11632	1.5
161.05969	0.5
163.07559	0.5
165.06981	1.3
167.08492	2.3
168.05696	0.5
169.06482	1.1
169.07742	0.6
169.10083	6.6
171.04489	1.1
171.08008	2.2
171.11661	4.3
172.08821	1.8
173.05997	5.2
173.09601	0.8
173.50542	0.5
175.07582	0.5
179.08528	1.6
179.10252	0.6
180.89496	1.0
181.06461	1.7
181.10097	2.0
182.07265	1.2
183.08040	23.7
183.11594	3.1
184.08301	0.9
185.05983	0.9
185.09592	1.5
187.07527	0.9
187.11111	0.9
189.09064	0.7
191.10555	0.8
193.10063	1.0
195.08023	1.7
195.11659	2.4
196.08820	0.8
196.12416	0.9
197.09592	7.7
198.10289	1.4
199.07504	1.6
199.10995	0.6
200.08308	8.0
201.09090	24.0
203.10594	0.6
205.10251	0.5
205.12279	0.7
209.09601	3.0
210.10333	1.1
210.13965	1.0
211.11183	3.2
211.14807	1.5
213.09084	2.2
213.12662	2.5
215.10658	100.0
216.10985	4.8
217.12193	1.1
219.10175	1.2
222.10388	0.5
223.11089	3.0
223.14796	0.8
224.12029	0.7
225.12752	1.9
225.16371	5.7
227.10661	0.7
229.12202	1.7
231.10129	0.8
235.14775	1.2
236.11879	0.6
237.09161	0.6
237.12643	1.0
238.13504	4.9
241.12204	2.0
243.13673	1.0
245.11761	1.4
249.09163	0.8
250.09790	0.7
251.14330	2.3
253.15846	21.3
254.09439	1.6
254.16231	1.2
255.13736	0.8
259.09616	0.8
259.13284	0.8
267.10083	0.5
267.17502	2.4
268.11237	0.6
269.15411	2.3
279.13864	2.2
279.16937	0.5
282.12567	0.9
285.18542	1.2
297.14871	17.0
297.18448	2.4
298.15283	1.0
314.34073	1.6
315.15915	60.5
315.19424	4.8
315.34436	0.8
316.16208	4.2
316.32016	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	315.1589
Annotation	(-)-Rel-(pR,9S,9'S)-maximowicziol A
Peak:m/z	Relative Intensity
55.01776	0.3
83.08501	0.3
84.89462	0.2
96.00909	0.2
101.25863	0.2
121.02745	0.4
124.81759	0.3
129.06894	0.3
131.04802	0.2
143.04808	0.5
155.08415	0.4
157.06313	0.4
157.10008	0.4
165.06866	0.6
166.07602	0.7
167.08345	0.8
169.06381	0.3
169.09999	0.8
170.07082	0.3
171.07881	0.6
178.07648	0.4
179.08337	1.0
180.09161	0.4
181.06256	0.5
181.10078	1.9
183.03749	0.2
183.07890	0.7
183.11526	0.3
185.09610	1.5
191.08488	0.6
193.10112	1.5
194.10725	0.8
195.07918	0.9
195.11501	0.4
197.05829	0.7
197.09554	3.5
199.07393	0.7
203.08490	0.3
205.09926	0.4
207.07881	1.0
208.08626	0.9
208.12393	1.4
209.07852	0.3
209.09593	3.6
209.13095	1.3
211.07373	1.0
211.10992	0.5
213.05339	0.3
213.08865	0.8
215.10741	1.4
218.10707	0.7
219.07918	0.8
221.05954	0.3
221.09581	1.4
222.10324	1.9
223.07390	0.7
223.11134	1.2
223.14789	2.3
225.08963	0.9
225.12715	0.4
226.06186	0.4
226.09618	0.4
227.06985	4.4
227.10425	0.4
227.14226	0.6
230.78833	0.3
233.09550	0.4
233.13252	1.3
235.07524	1.3
236.08356	2.0
236.11932	2.4
237.09067	6.8
237.12643	3.4
238.09636	1.0
238.13077	0.3
239.06911	0.9
239.10492	0.8
240.07535	0.5
240.11562	0.4
241.08578	1.3
241.12383	0.4
246.10378	0.5
247.11168	0.3
249.09103	2.8
250.09900	3.1
251.10397	0.9
251.14291	19.5
252.14606	1.3
253.08600	1.3
254.09354	16.5
255.10059	3.0
255.13771	0.4
256.10806	0.6
261.12744	2.0
263.10544	0.5
264.11447	4.6
265.11865	0.3
267.10150	1.9
267.17361	0.6
268.10904	10.0
268.13782	0.5
269.11398	0.7
269.15363	1.8
279.13773	24.4
280.14108	1.6
282.12500	9.4
285.18604	0.4
297.14816	100.0
298.15155	6.4
315.15891	17.9
315.19199	0.8
316.16296	1.2
316.32019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.159
Annotation	(-)-Rel-(pR,9S,9'S)-maximowicziol A
Peak:m/z	Relative Intensity
55.05504	2.5
56.96547	0.9
60.04520	1.7
66.69736	0.8
67.05497	0.9
69.07065	12.7
69.96727	0.9
71.42927	1.0
83.04968	9.6
97.06512	1.8
98.97574	1.3
121.48023	0.8
128.06223	1.2
143.08525	1.3
152.06163	1.2
153.07005	3.6
155.08582	2.1
157.06499	5.7
165.06995	1.6
167.08562	3.6
169.10114	2.2
171.08057	4.1
179.08560	2.0
181.06465	53.4
181.10019	1.5
182.07201	5.9
183.08000	1.8
185.05959	3.7
193.10014	0.9
195.08055	10.8
195.11790	1.0
199.03929	0.9
199.07544	21.6
203.08582	1.0
209.05930	93.4
209.13181	2.5
210.06297	4.6
218.10898	3.0
219.11807	0.9
221.09637	2.5
223.07610	2.9
227.07048	4.0
233.13196	2.5
236.11937	2.4
237.12721	5.9
241.12236	1.5
246.10428	2.1
249.09093	1.1
251.14360	8.0
252.14735	1.0
256.10892	4.9
261.12805	2.8
264.11398	1.3
267.13834	1.3
269.11792	1.1
269.15317	2.0
279.13779	20.5
281.11588	1.9
297.14835	100.0
298.15289	6.2
299.12860	6.1
315.06277	5.2
315.15897	50.8
315.19025	1.5
316.16315	4.4
316.28552	1.2
326.06665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	2,3-Didehydrogibberellin A9
Peak:m/z	Relative Intensity
51.60448	4.7
56.96574	7.2
60.04526	61.8
62.98272	5.9
67.05481	5.5
69.07059	10.3
70.15339	5.5
70.15671	11.1
77.29852	5.0
77.43271	4.4
81.07066	13.5
83.08605	5.8
87.04461	7.8
93.07047	7.7
95.08603	9.3
98.97566	24.8
109.10150	6.8
116.98614	22.8
133.10034	5.3
134.99652	10.3
145.01695	7.5
155.08589	5.3
159.04477	5.0
163.02765	18.6
167.08409	5.6
171.08020	6.7
175.28525	4.6
181.03821	8.2
181.10155	5.5
195.08116	6.6
209.05864	5.9
213.09053	8.7
213.16295	5.3
223.11136	5.3
238.13609	5.9
249.20685	4.3
253.15953	23.2
269.15387	11.1
279.23129	5.3
280.26266	7.9
297.14810	28.6
315.06232	100.0
315.15793	13.4
315.19550	16.6
316.06564	8.3
316.28354	21.9
316.31802	7.9
328.87140	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	315.1931
Annotation	E-64c
Peak:m/z	Relative Intensity
55.05509	12.2
57.07065	1.9
63.25128	0.7
67.42647	0.6
69.94382	1.4
71.08624	1.1
74.06062	1.7
74.06465	0.6
75.65601	0.6
83.08603	11.7
88.07626	4.9
92.35085	0.7
98.22828	0.8
98.97572	1.1
105.07064	0.7
106.08627	1.2
107.48190	0.7
112.32896	0.6
113.19532	0.6
116.98597	1.1
119.08550	0.8
123.22314	0.7
148.75160	0.7
175.07565	0.7
203.07019	2.7
229.12276	0.8
245.11743	12.5
259.13281	1.3
270.27872	1.5
297.18481	0.7
315.15607	13.5
315.19229	100.0
316.16324	0.9
316.19678	5.1
316.28345	4.6
316.32019	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	315.1944
Annotation	Triptoquinone H
Peak:m/z	Relative Intensity
55.05295	1.1
55.05510	13.4
56.19594	1.1
56.96547	1.9
57.03438	1.5
57.07074	5.9
60.04525	3.2
63.33868	1.3
66.48350	1.1
67.05494	3.4
69.07069	9.1
70.06577	5.2
71.08623	2.2
71.43553	1.5
73.09172	1.1
74.06069	1.4
81.07035	3.8
83.08614	10.0
85.10121	1.4
87.85472	1.1
88.07629	11.4
91.05450	1.4
93.07047	1.8
94.68231	1.2
95.08585	8.3
97.10146	4.1
98.97554	2.9
102.09195	2.0
103.05454	2.7
106.08641	4.9
109.10138	4.1
113.09576	1.4
115.05447	2.7
116.98526	1.4
117.06975	2.3
123.04432	3.3
128.06195	2.3
129.06921	5.7
131.04897	8.9
131.08493	1.5
134.99648	1.5
141.06941	3.1
143.04919	4.9
143.08554	5.2
145.06499	6.8
147.04414	4.3
149.05980	17.7
153.06970	4.3
154.07774	3.4
155.08549	5.4
157.06465	10.4
157.10100	2.5
158.07169	1.5
159.04379	6.1
159.08026	3.3
161.05937	6.2
163.07558	6.4
165.06976	2.9
165.09074	7.5
167.08566	2.9
169.06474	5.2
169.10104	11.7
171.08058	6.9
172.08853	1.8
173.05972	19.8
173.09612	3.9
174.06685	1.7
175.07545	6.9
177.05457	6.3
179.07091	1.2
179.08542	3.8
179.10631	2.4
180.09164	1.3
181.06461	5.5
181.10037	2.6
182.07257	2.5
183.08076	11.8
183.11627	1.4
185.05905	4.0
185.09637	7.0
187.07532	3.5
187.09407	1.3
187.11147	5.1
188.08316	1.3
189.05504	2.6
189.09093	11.9
190.07666	1.3
191.10638	29.3
193.10193	2.0
195.08058	3.6
197.09586	34.0
197.13263	3.4
198.09950	1.4
199.07494	4.0
199.11180	3.8
200.08286	17.2
201.09090	17.9
203.06973	2.9
203.10640	13.0
205.08574	4.0
205.12195	12.4
208.08817	1.8
209.09558	4.7
209.13176	1.8
210.19745	1.2
211.11195	4.3
213.09172	2.8
213.12694	2.2
214.09789	1.6
215.10664	100.0
216.11050	4.6
217.08624	1.9
217.12242	12.5
219.10153	18.2
219.13701	2.0
221.09511	1.3
223.11121	5.2
224.11858	1.6
225.12735	20.6
226.13031	1.8
227.10619	4.0
227.14244	3.1
229.12189	5.3
231.10185	8.9
231.13771	9.0
233.11688	2.8
237.12750	5.6
239.10626	1.5
239.14206	3.4
239.17897	2.7
241.12215	6.6
242.12924	1.8
243.13779	14.1
245.11716	5.7
245.15353	7.7
251.10600	5.2
251.14223	1.3
253.15938	1.6
254.09164	1.5
255.13744	9.3
257.15384	2.0
259.13361	3.7
267.17413	49.9
268.17834	3.1
269.11572	3.9
271.16968	2.0
273.14789	6.3
279.10324	1.8
279.13962	1.6
279.17422	3.5
282.12366	1.5
285.18454	39.8
286.18698	3.2
287.20020	22.3
288.20358	1.7
297.11115	5.2
297.14801	9.6
297.18466	15.3
298.31079	2.0
315.16068	2.5
315.19495	56.0
316.19846	4.0
316.28436	6.4
316.32022	44.2
329.80020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03939	1.8
55.05500	4.5
57.03428	7.1
57.07064	3.3
60.04511	3.8
65.03927	3.5
67.05503	22.8
69.03408	2.1
69.07062	5.0
69.19582	8.6
71.04981	2.5
71.08661	1.2
71.61111	1.3
79.05488	6.9
81.03414	64.9
81.07044	10.1
83.04967	2.8
83.08596	2.1
91.05478	6.7
93.07038	10.0
95.04962	100.0
95.08621	11.8
96.05307	1.5
97.06525	2.0
98.97548	1.8
99.08083	2.0
105.07030	12.8
106.08656	1.3
107.04953	5.5
107.08590	14.2
109.06505	16.1
109.10136	9.3
111.04423	1.5
111.08076	1.4
115.05391	1.4
116.98565	2.4
117.07011	4.1
119.08583	16.4
120.08856	1.5
121.06516	7.9
121.10133	23.8
123.04420	11.7
123.08063	5.8
123.11684	12.9
129.07040	3.0
131.08549	4.0
133.06439	1.8
133.10129	12.0
135.08058	8.4
135.11700	9.7
137.05984	2.1
137.09619	4.4
141.05441	3.7
142.07770	1.3
143.08560	5.4
144.09303	1.6
145.06491	13.2
145.10101	9.7
147.08005	11.9
147.11691	5.1
149.05978	2.8
149.09657	7.2
149.13129	1.4
151.07550	6.8
151.11166	2.1
155.08563	1.5
157.10120	6.6
159.07985	2.3
159.11700	9.1
161.09648	6.2
163.11148	20.2
165.05482	1.6
165.09120	2.1
165.12784	4.0
169.10074	2.8
171.08031	3.1
171.11687	4.9
173.09586	3.6
173.13243	5.0
175.11186	3.4
175.14793	12.3
177.09038	1.5
177.12772	3.8
181.10092	1.3
183.11690	2.4
185.09647	4.2
185.13217	2.8
187.11177	4.3
187.14877	1.3
189.12735	3.7
191.14291	9.6
193.08563	3.0
193.15863	53.1
195.11647	2.6
197.13252	4.4
199.11147	3.7
199.14932	1.3
201.12711	4.3
203.10635	1.8
203.14294	2.7
211.14827	2.4
213.12697	4.0
215.10730	2.0
215.14244	3.1
219.13763	1.8
219.83498	1.6
223.14789	1.7
225.12675	2.5
227.14287	2.6
229.15877	4.8
239.14182	2.6
241.15822	4.9
243.13763	3.8
251.18027	1.6
255.17432	3.0
257.15286	2.6
259.16953	4.4
268.93881	1.5
269.19006	8.3
271.16745	1.7
273.18561	3.7
279.17407	4.5
287.19919	2.9
297.18448	20.2
298.18979	1.8
315.08020	1.5
315.19501	42.1
316.19888	3.7
316.28482	1.5
316.32166	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	315.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.8
57.03421	2.0
57.07071	99.4
62.06059	1.7
67.43898	1.7
69.03421	3.2
69.07096	1.8
71.05008	1.9
71.67968	1.7
75.85673	2.1
79.05492	4.7
81.07051	8.3
85.06541	10.6
88.07581	1.8
91.05478	16.5
93.07033	5.5
95.04957	6.0
95.08603	3.0
98.22665	7.4
98.97562	2.2
105.07025	21.0
107.08579	2.5
107.91211	2.0
115.05445	6.0
116.06225	2.5
117.07009	7.1
119.04938	2.4
121.06493	2.0
128.06204	25.6
129.07002	43.9
130.07823	3.9
131.08563	22.4
133.06537	1.8
141.06970	12.6
142.07764	29.4
143.08549	48.0
144.08981	1.8
145.06465	15.1
145.10101	21.6
153.06987	8.0
154.07751	6.9
155.08528	60.8
156.09341	24.6
157.06586	2.5
157.10120	54.6
159.08018	5.5
165.06972	22.9
167.08557	6.7
169.10085	12.1
170.10875	6.8
171.08055	16.6
171.11665	8.8
172.08759	2.1
173.09599	5.7
174.18550	2.8
179.08600	4.9
180.09282	15.6
183.07985	4.9
183.11694	5.7
184.08705	2.3
184.12555	2.5
185.09604	7.5
185.13234	41.1
187.11163	5.7
195.11667	37.5
197.09622	3.0
198.10471	8.9
213.12724	100.0
214.13115	3.9
215.10660	5.2
229.15887	3.7
231.13770	9.3
239.14114	2.3
257.15240	2.5
287.20090	2.3
297.18677	3.3
314.34161	25.1
315.15994	3.9
315.19482	41.4
315.34442	36.9
316.19931	2.3
333.17419	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	Wiedelactone
Peak:m/z	Relative Intensity
53.03935	2.1
55.05507	100.0
57.38177	0.9
58.83480	0.9
60.04527	2.3
69.07053	1.3
83.08614	93.5
84.08937	2.4
88.07608	1.1
98.23415	2.7
106.08684	1.2
129.07019	1.9
143.08540	1.2
144.91785	1.1
149.05910	1.5
157.06456	1.2
159.08089	1.2
171.08061	1.4
175.07504	7.1
177.70425	1.2
199.07521	3.3
201.09167	1.3
203.07014	33.3
204.07271	1.0
212.08304	1.4
215.10593	2.6
217.08652	2.5
217.12216	7.5
219.10150	1.3
227.10632	1.7
227.14247	1.1
229.12199	4.0
231.10246	2.2
233.11765	2.3
233.79904	1.2
241.12239	1.3
245.11703	98.0
246.12035	5.4
255.13785	4.9
259.13263	10.4
269.15512	1.2
273.14825	1.8
293.03021	1.1
297.15277	1.4
297.18497	4.6
315.06284	3.3
315.19516	37.0
315.23218	2.2
316.19656	3.0
316.32144	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	315.1951
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
55.05499	3.8
57.03421	2.0
57.07071	99.4
62.06059	1.7
67.43898	1.7
69.03421	3.2
69.07096	1.8
71.05008	1.9
71.67968	1.7
75.85673	2.1
79.05492	4.7
81.07051	8.3
85.06541	10.6
88.07581	1.8
91.05478	16.5
93.07033	5.5
95.04957	6.0
95.08603	3.0
98.22665	7.4
98.97562	2.2
105.07025	21.0
107.08579	2.5
107.91211	2.0
115.05445	6.0
116.06225	2.5
117.07009	7.1
119.04938	2.4
121.06493	2.0
128.06204	25.6
129.07002	43.9
130.07823	3.9
131.08563	22.4
133.06537	1.8
141.06970	12.6
142.07764	29.4
143.08549	48.0
144.08981	1.8
145.06465	15.1
145.10101	21.6
153.06987	8.0
154.07751	6.9
155.08528	60.8
156.09341	24.6
157.06586	2.5
157.10120	54.6
159.08018	5.5
165.06972	22.9
167.08557	6.7
169.10085	12.1
170.10875	6.8
171.08055	16.6
171.11665	8.8
172.08759	2.1
173.09599	5.7
174.18550	2.8
179.08600	4.9
180.09282	15.6
183.07985	4.9
183.11694	5.7
184.08705	2.3
184.12555	2.5
185.09604	7.5
185.13234	41.1
187.11163	5.7
195.11667	37.5
197.09622	3.0
198.10471	8.9
213.12724	100.0
214.13115	3.9
215.10660	5.2
229.15887	3.7
231.13770	9.3
239.14114	2.3
257.15240	2.5
287.20090	2.3
297.18677	3.3
314.34161	25.1
315.15994	3.9
315.19482	41.4
315.34442	36.9
316.19931	2.3
333.17419	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	Cespihypotin R
Peak:m/z	Relative Intensity
51.61993	1.1
55.05492	3.7
55.83593	1.0
57.07066	1.6
67.05493	8.8
69.07062	17.7
69.81890	3.3
79.05482	4.7
80.14384	1.0
81.07047	50.7
83.04948	2.3
86.50653	1.4
87.62289	1.0
91.05454	2.2
93.07035	1.1
95.08591	7.3
96.38139	1.0
99.07879	1.1
105.06975	1.1
109.10138	4.3
119.08566	2.7
121.10114	1.1
123.11684	20.6
124.12029	1.1
131.08563	1.6
133.10146	1.5
141.21928	1.1
143.08553	4.6
145.10162	1.5
147.08023	3.2
153.06891	1.1
155.08533	1.1
157.10104	3.2
159.08096	2.1
161.09648	1.5
165.05516	1.4
165.09091	3.7
171.08041	2.9
171.11658	3.6
172.12541	1.6
173.09595	2.1
173.13303	1.6
173.77478	1.2
175.07491	5.3
175.11183	1.2
177.09100	3.2
178.07951	1.0
184.08745	1.8
185.09538	2.6
185.13210	2.3
187.07471	2.0
187.11195	2.6
191.06961	3.8
193.08572	33.7
194.08940	1.5
199.11118	6.7
200.11954	2.1
201.09074	1.7
201.12659	3.1
203.10635	10.9
205.08574	8.2
207.10135	1.6
213.09068	5.1
213.12677	4.3
214.09879	1.4
215.10619	2.7
217.12206	2.9
226.09854	1.5
227.10632	17.3
227.14272	2.7
228.11409	4.6
229.12160	6.9
239.10648	2.2
239.14243	1.4
241.12198	18.9
241.19510	4.2
242.12833	2.4
245.11751	1.8
247.95036	1.1
253.12056	2.0
254.12891	3.5
255.13786	6.5
268.14523	3.2
269.18961	71.9
270.19296	4.5
279.17227	1.5
282.16132	1.6
297.18442	78.5
298.18851	4.5
315.19504	100.0
316.19742	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2318
Annotation	Longithorone J
Peak:m/z	Relative Intensity
52.46473	1.6
53.33498	1.7
53.44787	1.9
55.05502	2.2
56.96563	3.2
57.07060	6.0
60.04507	8.0
60.94371	1.8
62.98254	2.0
64.86806	1.6
65.53465	1.7
67.05467	1.8
70.02269	1.8
70.06580	8.9
71.08637	3.9
71.42352	2.1
74.06069	3.4
79.05479	7.1
81.07044	9.3
83.04964	4.1
85.06520	2.9
85.10133	1.6
87.86506	2.1
88.07619	14.5
91.05488	4.0
93.07008	4.4
95.08612	3.0
97.06525	100.0
98.97585	5.4
102.09186	2.7
105.07034	3.9
106.08662	6.8
107.08586	3.8
109.06510	83.5
116.98676	3.9
119.08572	1.7
121.10107	2.6
123.08102	10.0
131.08600	3.0
133.10104	3.7
135.11598	2.4
144.29823	2.1
145.10141	4.9
147.11659	3.3
157.10033	2.0
159.11714	2.5
161.13281	2.3
163.55600	1.9
173.13164	2.1
175.11188	2.1
199.14706	2.4
215.26987	1.7
270.28006	2.1
274.97409	2.3
279.21017	3.1
297.22141	12.3
298.30957	2.0
315.07791	4.1
315.15515	2.2
315.19345	4.9
315.23145	67.0
316.23523	5.2
316.28409	10.3
316.32004	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	316.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88247	1.6
54.01316	1.5
56.96561	17.3
97.91650	1.6
98.97574	100.0
99.97932	2.2
116.97775	3.2
116.98610	64.5
117.99084	1.7
119.01945	1.8
130.93292	5.8
134.99654	24.8
153.00722	3.4
154.93288	3.4
172.94363	12.8
174.97620	3.4
175.97751	2.1
177.00957	3.1
178.01149	2.0
179.00580	2.2
190.95430	8.4
190.98608	4.1
192.98776	2.8
193.98773	1.6
205.02365	2.7
208.96475	4.8
210.25812	2.0
214.06200	1.9
214.95453	6.3
216.98717	2.1
218.98196	1.9
219.01927	4.0
220.02223	3.4
221.01816	10.4
222.02072	2.0
222.84668	1.7
223.63484	1.8
232.96466	15.8
232.98604	2.0
232.99838	3.2
234.99808	3.9
249.94572	2.4
250.97575	7.3
254.78326	1.8
256.96445	11.8
260.99591	5.2
261.03030	11.3
262.03210	3.1
273.94678	2.4
274.97498	94.6
277.00845	2.2
279.00613	7.6
291.95667	4.9
292.95245	4.3
292.98544	50.0
298.97699	2.1
315.95563	6.4
315.99951	1.9
316.09274	7.0
316.95334	2.1
316.98792	6.5
332.46851	1.9
333.96567	14.3
334.10010	3.8
334.96393	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	316.0812
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
53.03925	0.8
55.01886	0.8
57.13475	0.7
65.03923	1.8
65.10597	0.6
81.03403	1.5
81.07031	0.7
95.03695	1.7
95.04960	13.1
95.33382	0.8
98.97588	1.0
107.03661	1.4
110.06036	10.9
111.04437	3.1
122.06045	4.9
123.04424	8.5
124.05161	1.0
125.05958	1.6
127.03840	0.9
133.02834	2.5
133.86656	0.7
135.03134	11.2
136.01572	1.8
136.03911	2.6
137.02345	31.0
137.03468	3.8
138.05496	11.4
139.03854	1.7
141.05511	1.3
141.06995	1.0
148.03920	3.1
149.02310	1.0
150.01857	3.0
150.03000	1.5
150.05476	7.6
151.03879	5.0
153.05582	0.8
154.06477	1.2
160.03885	1.1
164.03378	1.3
166.04994	17.4
168.06665	1.3
178.04979	100.0
179.05356	2.1
180.06508	2.1
199.06279	1.6
200.07010	0.9
206.04469	88.0
207.04739	1.2
209.04668	0.8
214.08600	0.8
224.05431	0.9
224.11453	3.2
227.05827	3.3
228.06543	2.8
232.09552	0.9
234.09921	2.3
237.04289	1.0
237.08676	1.6
242.08022	5.7
243.06680	1.0
244.05960	3.8
245.06796	1.8
252.06580	9.5
252.10965	6.0
258.07486	1.0
260.09216	4.6
262.09464	1.2
270.07632	4.3
270.12012	3.1
272.05536	4.9
273.06375	1.8
280.06049	2.7
280.10538	2.8
287.07861	1.1
288.08652	10.4
298.07156	6.9
298.11484	8.2
299.16272	0.9
316.08139	99.4
316.12064	3.9
317.08521	4.6
330.36313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55820	0.3
55.05503	0.5
57.07071	14.9
58.06601	0.4
58.37963	0.3
60.04519	6.4
62.06077	0.6
67.05480	0.6
69.07051	0.6
70.06584	16.2
71.08622	8.2
79.05478	0.5
80.78059	0.4
81.07037	0.7
83.08640	0.5
85.10174	3.7
86.06068	0.4
87.04447	0.8
88.07619	23.7
93.07013	0.4
98.97552	0.4
102.09153	0.5
105.07012	0.4
106.08652	27.7
145.57988	0.3
164.84102	0.3
194.24382	0.4
208.05559	0.3
257.15228	0.4
280.26425	0.6
292.94611	0.3
298.27380	0.9
298.30945	0.9
316.32050	100.0
317.32404	6.6
338.41043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.9202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90907	1.0
60.56791	0.9
69.28832	3.9
69.29231	2.0
98.97572	2.0
101.83884	0.9
107.96604	1.0
136.94022	100.0
195.67888	1.0
196.95195	2.8
214.95535	4.1
218.94394	4.1
232.96461	6.6
234.91808	1.0
237.78934	0.9
274.97565	1.7
284.12787	1.1
286.97552	2.3
292.98438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84645	27.8
62.56396	38.6
69.82725	100.0
80.11658	27.7
96.56816	28.5
130.98700	29.4
142.00435	34.0
210.07109	32.8
220.02756	42.0
262.04498	33.3
294.23312	32.7
317.05951	39.2
324.69852	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	317.0654
Annotation	Pedalitin
Peak:m/z	Relative Intensity
50.66766	0.7
56.15400	0.6
56.67924	0.6
65.00899	0.7
68.90688	0.7
68.99784	1.7
69.49204	0.7
69.84267	1.6
75.64332	0.7
76.82774	0.8
77.88831	0.6
91.05508	0.7
95.08591	1.3
115.05465	0.8
117.07005	0.9
128.06259	0.7
129.06953	1.4
131.04893	0.9
133.06474	0.8
141.74625	0.7
145.06436	2.6
147.04420	1.1
147.08026	0.9
151.85645	0.7
161.05988	1.0
162.06798	1.3
172.05191	1.1
173.05977	2.0
173.41176	0.6
175.03880	1.2
175.07529	2.1
176.04597	0.8
177.05434	1.1
183.04364	0.8
185.05899	0.7
186.03148	1.3
186.11491	1.2
187.03838	1.1
188.04567	0.9
189.05431	1.0
190.06221	2.3
197.05975	0.8
199.03812	1.3
200.04645	3.8
201.05446	6.2
203.03375	4.7
204.04163	1.8
205.04967	1.0
211.03926	1.2
213.05380	1.1
214.02394	0.8
215.03418	3.9
215.07088	1.5
216.04204	1.2
217.04944	1.8
218.05792	3.9
225.05496	0.9
227.03339	1.2
228.04120	3.4
229.04919	9.0
229.09775	1.0
230.05757	1.6
231.02876	18.9
231.06479	1.5
232.03331	0.9
239.03259	1.0
239.08138	1.8
241.01241	1.1
242.02084	1.0
243.02861	1.8
243.06456	3.7
245.04456	3.3
246.05226	11.0
247.05844	1.6
256.03635	4.3
257.04486	5.0
259.02362	8.8
259.06046	1.8
261.07574	11.9
263.10730	0.9
271.02426	3.3
271.05991	6.8
273.03784	1.3
273.12222	2.1
274.04694	64.4
275.05048	3.0
281.11691	1.1
284.03110	10.7
285.03915	16.8
285.10312	1.5
286.01053	6.2
286.04678	17.5
287.01834	1.6
287.05396	2.9
289.07028	100.0
290.07349	6.3
299.05460	24.4
299.10117	2.0
299.19998	1.0
300.05963	1.3
301.03403	20.3
302.04117	15.7
314.56335	0.8
317.06516	85.9
317.10980	6.1
317.20837	1.5
318.07047	4.9
318.10980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0995
Annotation	SC-57666
Peak:m/z	Relative Intensity
53.84517	9.2
56.96558	10.9
63.09173	9.6
69.89049	27.7
71.27274	8.9
85.02890	13.2
98.97557	13.2
121.06517	18.7
121.60226	9.0
168.16646	10.0
228.93002	10.6
239.87891	9.7
317.09787	100.0
334.06027	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	317.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76184	0.7
75.23623	0.9
85.02895	1.6
87.91314	0.9
98.97586	1.0
125.07165	1.1
155.06776	14.3
163.09003	0.9
185.04195	12.3
185.05653	1.1
203.05217	5.7
317.12173	100.0
318.12460	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	317.1131
Annotation	2,6-dimethoxybenzoylsalicylhydrazide
Peak:m/z	Relative Intensity
66.03436	0.9
66.07809	0.4
71.03826	0.4
72.08148	0.5
80.05035	0.6
81.07014	0.6
82.06584	0.6
84.04481	0.5
95.06075	1.4
96.06859	14.3
97.07652	14.6
97.08282	0.8
98.97591	1.0
107.06060	6.6
109.07632	4.5
111.05534	1.7
116.98605	0.5
119.04926	1.1
125.07101	100.0
125.35907	0.5
126.07424	2.0
135.05515	10.9
135.06532	0.6
136.06122	0.5
147.04398	2.3
153.06572	52.7
154.06898	1.4
156.10182	1.0
171.07629	23.1
205.77179	0.4
282.11157	0.5
317.11288	53.5
318.11642	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	317.1145
Annotation	2,6-dimethoxybenzoylsalicylhydrazide
Peak:m/z	Relative Intensity
52.52489	0.6
53.50783	0.7
65.52967	0.7
69.61776	0.6
81.44060	0.6
84.42141	0.7
85.19589	0.6
123.84352	0.7
145.10030	0.8
221.19771	0.7
287.48965	0.7
308.67188	0.8
317.11432	100.0
317.21060	2.0
318.11725	6.2
318.30081	0.9
335.12695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1147
Annotation	2,6-dimethoxybenzoylsalicylhydrazide
Peak:m/z	Relative Intensity
53.15623	0.4
55.05509	0.8
56.05041	0.5
57.07069	1.6
58.06593	0.7
59.72123	0.4
60.04513	1.8
67.05503	1.5
67.49421	0.4
69.07066	1.5
70.06587	1.7
70.55904	0.8
71.08624	0.6
73.80271	0.4
74.33708	0.4
79.05502	0.8
81.07063	2.2
83.04962	0.5
88.07623	4.2
89.32216	0.4
90.05658	0.4
91.05463	0.6
93.07041	1.0
95.08592	1.1
102.09152	0.5
104.14500	0.4
105.07005	0.7
106.08646	2.5
107.08581	1.5
109.10134	1.4
116.98595	0.7
119.08575	1.8
121.06497	0.6
121.10143	1.1
123.11687	1.6
127.91590	0.5
131.78804	0.4
137.05991	1.3
139.11191	1.3
143.08514	0.4
144.35619	0.4
145.10144	0.4
149.05965	0.5
151.07605	0.7
153.09155	0.4
161.06001	1.5
165.29970	0.5
171.08086	0.5
177.05585	0.5
179.07024	1.2
187.07533	1.3
189.05452	0.8
189.09065	0.5
191.07031	1.0
201.09056	0.8
203.07014	0.6
203.10699	1.1
205.12259	0.6
215.10745	0.7
217.11298	1.5
222.82150	0.4
226.13846	0.4
258.61151	0.5
270.28003	1.2
271.16821	3.0
288.92151	0.6
298.30908	0.4
299.16095	0.9
299.19885	0.6
316.32068	7.7
316.35547	0.7
317.11475	100.0
317.17444	32.4
317.21161	1.6
317.32358	4.8
318.11807	6.0
318.17828	1.6
318.24112	0.6
318.30035	4.3
335.12085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57544	0.8
55.05491	1.2
57.07076	4.5
60.04523	2.8
67.05490	2.2
69.07058	3.8
69.13587	5.8
70.06593	4.4
71.08614	2.2
79.05492	1.2
81.07048	3.5
85.10148	0.9
88.07625	8.5
93.07035	1.3
95.04963	5.6
95.08629	2.3
98.97569	1.1
102.09200	1.4
105.07040	2.2
106.08646	5.2
107.08586	1.5
108.67096	0.9
109.10131	4.3
116.98569	1.1
119.08608	1.4
121.06473	0.9
121.10118	2.0
123.11707	1.4
137.05977	2.4
139.11197	2.4
147.08014	2.1
149.05949	1.3
151.07524	1.3
159.08012	1.4
161.05956	1.9
163.07494	1.6
173.09442	1.0
175.07484	1.8
185.09628	1.6
187.07597	1.7
189.05498	1.3
191.07036	1.2
193.08629	1.2
201.09158	1.5
203.10675	2.4
215.10698	2.8
228.90076	1.2
251.43713	1.1
270.27902	1.8
271.16998	6.4
288.92203	1.5
298.30707	1.3
299.16620	0.9
299.20026	2.4
302.09180	5.2
316.22607	1.0
316.31912	18.0
316.34802	2.2
317.11493	100.0
317.17358	63.0
317.23111	10.6
317.32297	12.1
318.11795	6.1
318.17801	3.3
318.29895	6.3
319.73309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29336	0.8
69.89400	0.7
70.06538	0.7
72.08131	0.8
84.62843	0.8
85.02906	3.0
97.02903	0.9
98.97618	1.1
121.06478	1.7
125.07138	1.2
127.03954	0.7
128.38240	0.8
134.02417	0.8
141.14449	0.8
142.51048	0.8
145.04909	1.4
147.79810	0.7
155.06778	14.6
159.08000	0.8
164.84988	0.7
179.48181	1.0
185.04181	10.9
203.05234	4.7
206.21759	0.9
299.10339	1.0
306.57458	0.8
317.12100	100.0
318.12332	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	317.1216
Annotation	Taxicatin
Peak:m/z	Relative Intensity
55.01873	1.1
56.96546	1.1
69.03431	1.1
69.26997	4.3
76.80325	0.7
81.03403	1.4
85.02909	6.5
91.05485	4.2
97.02876	5.0
98.97598	2.9
103.03930	0.9
105.06980	4.5
115.05441	1.5
116.98598	1.8
119.04951	2.2
121.06477	1.8
127.03905	0.9
128.06190	1.3
129.07005	4.3
131.04904	1.5
133.06487	2.3
134.99657	1.0
137.05966	17.8
143.04956	1.3
143.08588	0.9
145.06433	1.7
147.04366	2.1
149.05959	2.2
151.07539	7.3
152.07928	0.9
155.06827	1.9
155.91199	0.9
157.06476	3.5
161.05930	4.9
163.03873	1.1
165.05481	4.4
167.07018	1.4
171.08011	1.1
173.06528	1.0
175.07581	3.1
177.05463	0.9
179.06984	9.2
181.06433	0.8
185.04337	1.0
185.05940	1.5
189.05493	1.9
191.07384	1.2
199.07443	1.1
203.07048	6.2
215.07492	1.2
217.08472	1.8
221.08125	1.6
226.02831	0.9
227.07158	1.2
233.08138	1.5
245.07991	4.8
263.09119	2.8
274.97501	1.8
281.10168	1.2
317.12051	100.0
318.12378	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1743
Annotation	Bisphenol A bis(2-hydroxyethyl)ether
Peak:m/z	Relative Intensity
55.05514	1.3
56.05022	0.6
57.03414	0.3
57.07070	2.2
60.04523	2.4
67.05487	1.5
69.07065	2.5
69.73087	0.4
69.73461	0.6
70.06589	2.9
71.08617	1.0
74.06055	0.4
76.67960	0.2
76.78874	0.2
79.05472	0.7
81.07050	2.9
83.08612	0.7
85.10170	0.6
88.07623	5.0
91.05457	0.8
93.07056	1.2
95.04956	0.3
95.08581	1.8
97.10163	0.3
102.09187	0.5
105.07023	0.9
106.08651	4.7
107.08561	0.8
109.06499	0.3
109.10152	1.2
115.23475	0.2
117.07011	0.7
119.08571	0.9
121.06501	1.2
121.10136	0.8
123.08076	0.3
123.11714	0.8
128.06194	0.3
128.43605	0.2
131.08553	0.8
133.06473	0.3
133.10150	0.3
135.08025	0.3
137.05934	2.3
139.11140	0.3
141.06996	0.2
142.07761	0.2
143.08537	0.7
145.06493	0.9
145.10107	0.9
147.08008	1.3
147.11641	1.1
149.05994	0.9
149.09633	0.2
149.13202	0.4
150.06740	0.5
151.07521	0.5
151.11070	0.2
153.06947	0.3
155.08522	1.0
157.06519	0.3
157.10135	0.5
159.08047	1.0
160.08554	0.2
161.05988	1.0
161.09584	0.8
163.07555	0.8
165.05472	0.4
169.10124	0.6
170.10928	1.2
171.08034	0.7
171.11555	0.3
173.05988	0.2
173.09558	2.0
175.07542	1.2
175.11195	0.5
176.08305	0.7
177.05479	0.6
177.09103	0.6
183.08015	0.4
185.09610	0.6
187.07523	5.8
187.11134	0.9
188.08047	0.3
189.05463	0.7
189.09071	2.3
191.07036	0.6
195.06444	1.2
197.09644	0.4
198.10614	0.3
199.11249	0.5
201.09077	1.8
202.09831	0.3
203.10649	15.0
204.11032	0.5
207.06549	0.3
215.10643	5.8
216.11343	0.7
225.12683	0.4
229.08656	0.5
229.12239	0.9
241.12393	0.3
243.17517	0.3
247.09554	0.3
256.14572	1.3
256.26315	0.4
257.15286	1.2
270.27847	1.3
271.13861	0.3
271.16885	4.1
272.17633	5.0
273.18237	0.5
289.18091	0.4
299.16321	0.6
314.28448	0.3
316.28690	0.5
316.32053	11.7
317.17438	100.0
317.32272	5.8
318.17810	5.2
318.23941	2.7
318.29904	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	317.1744
Annotation	Bisphenol A bis(2-hydroxyethyl)ether
Peak:m/z	Relative Intensity
55.05494	0.7
56.15216	0.2
66.59819	0.2
67.05499	1.1
69.07060	1.8
73.80543	0.2
79.05476	0.8
80.70322	0.2
81.01585	0.2
81.07050	2.7
83.08615	0.7
88.07696	0.2
91.05466	0.6
93.07021	0.7
95.08596	1.4
97.10166	0.2
105.07012	0.8
107.04944	0.3
107.08582	0.5
109.06530	0.2
109.10147	0.6
117.06991	0.4
119.08559	0.8
121.06488	1.1
121.10149	0.6
123.08041	0.5
123.11695	1.0
126.27270	0.2
129.06990	0.3
131.08559	0.6
133.06520	0.2
133.10149	0.2
135.08040	0.2
137.05959	1.9
139.71347	0.2
143.08490	0.3
145.06464	0.8
145.10100	0.6
146.94829	0.2
147.08090	0.9
147.11656	1.0
149.05986	0.7
149.09612	0.3
149.13228	0.2
150.06769	0.3
151.07536	0.4
155.08525	0.8
157.06535	0.3
157.10156	0.5
159.08029	0.8
159.11703	0.3
161.05960	0.4
161.09589	0.7
163.07532	0.9
165.05473	0.4
169.10130	0.5
170.10886	0.6
171.08040	0.6
173.09596	1.6
175.07565	1.1
175.11133	0.6
176.08295	0.6
177.05493	0.5
177.09125	0.6
183.08031	0.4
183.11714	0.3
185.09604	0.5
187.07532	5.1
187.11108	0.9
188.07947	0.2
189.09091	1.8
190.09691	0.2
195.06532	1.2
197.09625	0.4
197.70468	0.2
198.10445	0.4
199.11139	0.5
201.09105	1.7
202.09743	0.2
203.10654	14.0
204.11038	0.5
207.06549	0.4
211.11143	0.3
215.10660	4.7
216.11345	0.8
217.12125	0.3
229.08661	0.3
229.12244	1.2
243.17552	0.3
247.09642	0.3
253.15852	0.2
256.14636	1.1
257.15402	0.8
271.16916	3.6
272.17688	5.7
273.18326	0.5
289.17993	0.5
299.16364	0.3
317.07785	2.5
317.17444	100.0
318.17783	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	317.1744
Annotation	Bisphenol A bis(2-hydroxyethyl)ether
Peak:m/z	Relative Intensity
55.01849	0.1
55.05510	0.5
57.07044	0.1
63.49215	0.1
67.05497	0.6
69.03416	0.1
69.06710	0.2
69.07062	2.1
69.28870	0.5
69.33833	0.1
79.05496	0.6
79.06617	0.1
81.07050	2.4
83.08607	0.3
91.05472	0.5
93.07028	0.8
95.04930	0.1
95.08598	0.8
95.24454	0.1
97.10174	0.1
105.07036	0.6
107.04929	0.2
107.08566	0.4
109.06514	0.1
109.10153	0.7
115.05415	0.1
117.06984	0.2
117.14469	0.1
119.08585	0.5
121.06504	1.0
121.10120	0.3
121.18314	0.1
123.04449	0.1
123.11715	0.5
125.06005	0.1
129.06956	0.4
131.08585	0.5
133.06508	0.1
133.10103	0.2
135.08018	0.1
137.05957	1.9
141.06923	0.2
142.07776	0.1
143.08516	0.5
145.06456	0.7
145.10080	0.6
147.08032	1.1
147.11703	0.8
149.05971	0.5
149.09698	0.2
150.06754	0.3
151.03883	0.2
151.07503	0.3
155.08542	0.9
157.06459	0.3
157.10115	0.6
158.07257	0.1
159.08028	1.0
159.11653	0.1
161.05972	0.3
161.09641	0.8
161.13225	0.1
163.07516	0.8
165.05460	0.4
169.10121	0.5
170.10886	0.9
171.07991	0.3
171.11726	0.2
173.09616	1.6
173.13115	0.1
174.06743	0.1
174.10216	0.2
175.07530	0.9
175.11200	0.5
176.08310	0.6
177.05489	0.6
177.09087	0.5
179.06993	0.2
181.04968	0.2
183.08020	0.6
183.11656	0.1
185.09608	0.5
187.07524	5.2
187.11113	0.8
188.08162	0.3
189.09093	1.9
190.09947	0.2
193.05003	0.1
195.06493	1.0
197.09627	0.5
198.10358	0.3
199.11172	0.5
200.08292	0.2
201.09093	1.6
201.12572	0.1
202.09854	0.4
203.10649	15.7
204.11011	0.4
207.06418	0.5
211.11157	0.3
215.10663	5.1
215.13939	0.2
216.11302	0.7
229.08490	0.1
229.12186	1.3
229.15819	0.3
233.07921	0.1
241.12239	0.3
243.10153	0.1
243.13875	0.1
243.17453	0.4
247.09702	0.2
253.15898	0.4
255.17448	0.1
256.14560	1.0
257.15356	0.8
271.16885	3.3
272.17676	5.1
273.18158	0.4
289.17996	0.6
299.16299	0.2
317.17435	100.0
318.17770	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1745
Annotation	Gibberellin A9
Peak:m/z	Relative Intensity
51.02386	0.6
55.01876	1.2
55.05506	3.1
57.03431	0.5
57.07083	0.6
65.98813	0.4
67.05499	5.1
69.07064	10.6
70.01955	0.6
70.02289	1.0
72.49963	0.6
79.05460	2.5
81.07053	7.8
83.04983	5.5
91.05476	2.6
93.07043	5.7
94.32230	0.5
95.04961	1.1
95.08602	4.0
97.06525	0.7
97.10169	1.8
105.07021	3.5
107.08607	4.2
109.06499	0.6
109.10152	16.9
111.04456	2.0
111.11725	0.6
115.05467	0.6
117.07027	1.2
119.08624	2.4
121.06509	2.1
121.10145	11.7
123.08139	0.6
123.11700	3.3
125.67633	0.5
128.06229	1.0
129.06981	0.8
131.08603	1.7
133.10138	0.5
135.08015	0.6
137.05981	5.6
137.09586	0.6
137.97458	0.5
139.11171	21.6
140.11490	0.7
141.06987	1.2
142.07756	0.7
143.08539	2.4
145.06480	2.0
145.10118	1.7
147.08035	1.7
147.11667	5.1
149.05965	5.9
149.09575	0.9
149.13242	1.2
151.03909	0.5
151.07523	11.9
155.08501	1.9
157.06482	0.8
157.10106	1.7
158.07362	0.8
159.08018	2.8
159.11687	0.8
161.05994	1.1
163.07535	2.4
165.07040	0.7
165.09135	0.9
167.08582	1.0
167.10687	4.2
169.06479	0.8
169.10136	0.8
171.08037	1.8
173.09572	2.9
173.13284	0.5
175.07507	2.2
175.11092	0.9
177.05492	3.0
177.09114	1.8
178.07744	0.8
179.08569	1.5
181.06508	0.7
183.07965	0.6
183.11743	0.5
185.09604	2.2
185.13266	0.5
187.07498	1.6
187.11241	1.1
189.09126	1.8
191.08626	0.9
191.10667	1.2
192.09348	3.7
193.10167	0.7
194.07091	0.6
195.06439	0.9
195.08005	0.6
197.09660	1.2
197.13310	0.6
199.07388	0.5
199.11198	0.9
201.09103	3.3
202.07726	1.6
202.09601	0.6
203.10661	1.9
206.07275	0.7
207.08072	1.6
207.11737	2.8
209.09711	0.7
211.07585	1.1
211.11136	0.9
212.08220	0.7
213.09016	1.1
215.10667	1.7
217.10158	1.3
217.12192	1.4
220.08850	2.0
221.09546	1.1
222.06801	0.6
223.11179	1.1
225.09184	1.1
225.12646	0.8
229.08595	0.7
229.12134	1.4
235.07486	1.5
235.11172	6.6
237.09010	1.2
238.09927	0.7
239.07071	0.8
239.10649	0.8
241.12236	1.4
243.17534	0.5
245.09583	0.6
248.08401	1.0
251.10619	1.3
253.08604	2.2
253.12242	7.0
253.15790	1.3
255.17534	0.9
256.14529	0.8
263.10690	5.7
263.13531	0.8
268.10876	0.8
271.16919	13.1
273.18542	9.0
274.18661	0.7
281.11746	13.8
281.15103	1.9
289.18051	0.9
299.12738	15.9
299.16312	3.1
299.19766	0.7
300.13110	0.8
317.14142	4.2
317.17438	100.0
318.17905	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	317.1746
Annotation	Gibberellin A9
Peak:m/z	Relative Intensity
54.70133	0.5
55.05471	2.0
55.05714	0.5
65.48930	0.5
67.05460	1.7
67.73914	0.6
69.07066	4.6
71.42609	0.7
79.05445	1.3
81.07008	1.7
83.08588	0.9
91.05430	1.4
93.06992	1.8
95.08602	3.0
98.97574	0.7
100.00146	0.7
105.06975	1.8
107.08527	0.9
109.10114	1.0
110.83291	0.6
115.05447	0.6
117.06951	1.6
119.08545	1.6
121.06454	1.3
121.10117	0.9
129.06944	0.6
131.08531	0.8
133.10088	0.7
137.05943	3.2
141.06941	0.7
142.07713	0.7
143.08546	0.8
145.06445	1.8
145.10107	1.5
147.08057	3.8
147.11612	1.3
153.06967	0.8
154.07707	0.9
155.08565	3.0
157.06470	0.7
157.10085	0.9
158.07266	1.3
159.08035	4.0
161.05974	0.6
161.09589	1.4
163.07506	1.2
167.08643	0.8
169.10040	1.2
171.08032	1.6
171.11723	0.7
173.09615	8.0
174.06734	0.9
175.07576	3.0
179.08562	0.7
179.46243	0.6
181.06476	0.8
183.08041	1.1
183.11708	1.1
185.09689	3.8
187.07544	7.5
187.11122	2.6
188.08278	0.6
189.09030	3.3
197.09575	2.3
199.11046	0.9
200.08057	0.7
201.09100	5.7
202.09856	4.9
203.10663	7.7
209.09685	0.8
210.10374	0.7
211.11200	1.6
213.09039	2.3
215.10664	3.9
223.11079	1.1
227.10664	1.5
228.11403	4.1
229.12210	12.6
230.12532	0.7
239.14273	1.2
241.12216	13.1
241.14420	1.1
242.12651	0.8
253.16026	1.1
255.13794	0.8
256.14557	4.7
257.15143	1.0
263.14209	0.6
269.15210	1.1
271.16904	97.0
272.17172	4.5
281.15323	2.8
287.16391	1.3
289.17920	4.2
299.16400	12.4
300.16754	0.7
317.17459	100.0
318.17740	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	317.2107
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
52.91839	2.4
55.05505	11.7
67.05505	15.6
69.07070	11.6
70.14763	4.4
70.15098	5.3
73.35715	2.8
79.42158	2.5
81.07053	10.9
83.08615	6.5
88.32807	2.6
93.07046	3.0
95.08606	37.0
97.10175	7.4
103.05488	7.4
105.07019	3.2
109.10168	16.2
113.09641	6.2
115.05453	2.8
121.10133	3.3
123.04437	3.9
123.11736	9.4
129.07034	5.7
131.04939	9.5
139.11266	3.5
139.84161	2.9
141.07047	3.7
143.04935	7.4
143.08612	4.8
145.06485	6.1
149.05980	19.1
151.07564	3.4
154.07756	3.3
155.08554	8.5
157.06520	7.6
161.05977	4.6
163.07539	12.9
165.09117	8.7
169.10149	11.3
171.08093	3.5
172.08792	4.7
173.05949	22.1
173.09607	3.3
175.07547	12.9
179.07036	4.1
179.08566	4.2
183.08061	12.5
185.09656	7.3
187.07613	7.0
187.11227	8.4
191.10651	54.0
193.08568	5.6
197.09573	21.1
199.11183	4.1
200.08351	23.0
200.68771	2.8
201.09047	11.6
203.10706	13.4
205.12228	43.9
207.10078	3.4
215.10663	100.0
216.11281	3.2
217.12241	33.1
221.11659	3.7
225.12700	11.9
229.12207	7.9
231.13742	3.2
239.14294	11.7
243.13771	24.2
245.15311	4.4
256.14557	3.4
257.15372	19.0
268.23798	2.8
271.16879	8.9
275.16415	5.8
281.18982	32.5
282.19321	4.2
285.18442	6.1
287.19934	23.2
299.19980	50.4
300.20514	2.8
317.11502	30.2
317.17444	48.0
317.21048	66.0
318.17859	4.1
318.21271	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	317.2108
Annotation	3beta-Hydroxy-9beta-pimara-7,15-diene-19,6beta-olide
Peak:m/z	Relative Intensity
51.13628	1.2
51.44553	1.3
55.05511	17.2
57.07066	3.2
60.04512	13.3
66.97646	1.5
67.05492	3.5
69.07059	16.4
70.06577	1.9
74.06065	1.4
79.05476	3.8
81.07045	4.8
83.08598	2.8
84.77611	1.3
88.04075	1.3
88.07623	3.1
91.05493	3.6
93.07037	2.1
95.08569	3.7
97.10161	24.5
98.23452	3.3
98.97585	1.4
103.05435	1.6
105.07036	2.4
107.08596	2.6
109.10142	6.1
111.11712	2.6
115.05440	2.4
119.08533	1.7
121.06548	1.9
121.10159	2.0
123.11714	1.9
128.06212	10.5
129.07002	5.0
131.04831	1.6
131.08551	1.7
133.06451	2.6
135.44016	1.4
137.06000	3.6
141.06920	1.7
142.07735	2.3
143.08557	26.4
145.06445	3.6
147.04424	3.6
148.05148	2.7
149.05954	3.0
155.08530	3.6
157.06522	3.1
157.10097	6.5
158.07378	1.8
159.08064	3.7
160.05211	3.5
161.05957	18.7
161.09566	1.6
163.07545	12.9
169.10127	1.7
171.08029	14.0
173.06030	1.6
174.06822	2.9
175.07518	17.4
177.09103	7.3
181.08601	3.4
183.08041	4.2
185.09572	5.2
187.07532	3.7
189.05505	2.9
189.09084	98.5
190.09404	4.8
191.07021	2.2
191.10629	2.3
195.10193	3.5
196.62607	1.6
197.09666	4.1
200.08038	2.4
201.09099	6.5
203.10641	51.8
204.07814	2.2
204.10948	2.5
207.10144	100.0
208.10457	4.6
211.11232	2.0
213.09196	2.0
214.09955	1.8
215.10695	16.8
217.08606	1.7
217.12215	13.2
221.11717	17.9
229.12244	4.7
233.11737	4.3
235.13240	10.3
243.13710	8.9
247.13434	2.1
256.26349	2.9
261.14902	3.6
271.16913	6.2
282.15686	2.5
282.27994	2.8
287.16412	2.2
299.16669	2.5
299.20016	42.9
300.20319	3.9
300.28888	3.7
317.17432	68.3
317.21103	43.6
317.28711	2.2
317.32120	3.6
318.17703	6.0
318.21194	2.6
318.30023	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	317.2109
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
54.64536	1.0
54.71989	1.2
55.05503	6.2
61.49733	1.0
67.05488	7.3
69.07063	4.3
69.22633	8.0
78.78625	1.2
81.07043	2.9
83.08617	2.2
84.71698	1.1
85.03349	1.0
91.61169	1.4
95.08597	21.3
97.10171	2.4
99.08129	1.5
101.21609	1.1
103.05502	1.3
109.10142	9.8
113.09634	2.1
115.05405	2.0
129.07001	2.9
131.04919	2.9
141.07013	1.6
143.04872	1.7
143.08554	2.1
145.06467	5.2
149.05959	10.1
154.07736	1.4
155.08499	4.2
157.06436	4.2
161.05952	4.8
162.97702	1.3
163.07526	5.0
165.09114	7.1
169.06516	1.5
169.10117	5.6
171.08034	3.2
173.05981	10.8
173.09621	1.4
175.07503	3.7
179.07056	1.4
183.08026	7.2
183.11766	1.3
185.09639	4.4
187.07486	2.7
187.11118	4.1
189.09119	2.8
191.10658	31.3
193.08548	1.5
197.09624	12.2
197.13293	1.4
198.09993	1.5
199.11171	2.8
200.08308	9.1
201.09055	3.6
203.10652	6.6
203.13982	1.5
205.12215	21.8
211.11154	1.5
215.10646	64.7
216.11024	2.3
217.12241	17.7
221.11646	1.8
225.12766	6.1
229.12201	4.9
239.14185	7.3
243.13820	14.5
245.15332	2.3
253.15958	1.5
256.14618	2.2
257.15289	8.3
267.99844	1.6
271.16705	2.8
275.16531	1.3
281.18954	19.0
285.18637	2.2
287.20001	11.2
299.16760	2.2
299.20059	27.5
300.20215	2.8
317.08096	3.9
317.11429	100.0
317.17438	16.4
317.21082	18.8
318.11710	8.1
318.24097	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	317.2109
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.03936	3.0
55.05513	6.7
57.03432	17.0
57.07065	4.7
57.26877	2.2
59.81718	1.7
65.03928	3.1
67.05500	32.2
69.03423	4.1
69.07068	8.2
70.84479	2.2
79.05490	8.5
81.03408	73.4
81.07043	26.0
83.04964	5.4
87.54013	2.0
91.05466	4.6
93.07035	8.0
95.04959	100.0
95.08592	20.8
97.96722	2.1
99.06409	1.9
99.08106	3.1
105.07020	10.9
107.04944	4.4
107.08574	7.5
109.06492	16.9
109.10159	20.6
113.09713	1.8
113.57086	1.8
115.67982	2.3
119.08582	7.3
121.06502	6.2
121.10151	8.7
123.04408	18.5
123.08047	3.8
123.11700	53.4
131.08548	4.5
131.31953	2.0
133.10129	4.8
135.08055	7.9
135.11684	3.0
137.09615	4.4
137.13239	9.0
141.05522	2.2
143.08566	2.6
145.06497	4.9
145.10149	3.4
147.08014	3.4
147.11697	8.0
149.09633	4.7
149.13272	2.9
157.10112	4.3
157.65564	1.9
161.09615	4.7
161.13263	3.9
165.09096	2.2
165.12755	15.6
173.09676	3.8
173.13318	2.5
175.11162	3.3
176.09778	2.0
177.08949	2.4
177.12758	3.2
177.16422	5.3
183.11664	2.9
187.11189	3.9
189.12703	2.6
191.14285	2.9
195.17398	5.5
205.15840	18.2
217.15825	3.8
225.44365	2.1
243.17557	5.4
245.15311	2.1
271.20532	4.0
281.18900	3.2
299.19971	18.3
317.21066	54.5
318.21402	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	317.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98127	1.5
55.05508	10.7
55.78444	1.3
57.99627	1.4
63.14498	1.5
67.05502	13.1
69.07071	10.2
69.22249	9.5
77.99998	1.5
79.05478	1.7
80.26397	1.5
81.07059	9.3
83.08632	3.2
95.08601	49.2
97.10168	5.6
98.23516	3.0
98.44164	1.5
100.54374	1.3
101.85448	1.4
103.05476	3.2
105.07033	2.7
107.08588	2.4
109.10158	23.0
113.09624	1.8
115.05454	2.7
116.65383	1.8
121.10148	2.1
123.04423	3.6
123.11713	3.0
129.06996	3.8
131.04889	7.9
137.06000	1.8
143.04932	4.4
143.08598	2.8
145.06487	5.1
145.65590	1.5
149.05980	30.8
151.07541	2.3
154.07686	2.9
155.08530	4.8
157.06479	6.9
159.08025	3.0
161.05975	6.9
163.07526	11.7
165.09123	15.2
169.06398	1.9
169.10138	9.2
171.07962	2.7
173.05965	18.8
175.07520	9.9
177.09181	2.5
179.07005	3.2
179.10689	2.9
181.08592	5.3
182.07353	2.4
183.08031	12.7
184.08792	2.1
185.09584	7.1
187.07541	4.8
187.11163	5.2
189.09125	3.7
191.10652	84.8
192.10921	2.4
193.08607	4.4
195.08083	2.2
197.09604	21.0
197.13373	2.1
199.11162	2.5
200.08310	7.6
201.09128	6.0
203.10709	13.9
205.12236	42.0
206.12602	2.4
211.11151	3.5
215.10660	100.0
216.11009	5.6
217.12215	35.7
219.13670	1.6
221.11696	4.4
225.12677	9.9
229.12218	8.9
231.13776	5.1
239.14276	14.1
243.13763	21.8
245.15302	5.4
248.96150	1.8
256.14600	3.7
257.15402	22.0
271.16922	6.8
275.16409	7.6
281.18973	27.1
285.18494	3.1
287.20084	25.2
299.20023	57.7
300.20468	5.0
306.17545	1.6
317.11633	12.8
317.17438	36.4
317.21115	48.0
317.24792	2.8
318.17801	3.2
318.21124	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
54.98127	1.5
55.05508	10.7
55.78444	1.3
57.99627	1.4
63.14498	1.5
67.05502	13.1
69.07071	10.2
69.22249	9.5
77.99998	1.5
79.05478	1.7
80.26397	1.5
81.07059	9.3
83.08632	3.2
95.08601	49.2
97.10168	5.6
98.23516	3.0
98.44164	1.5
100.54374	1.3
101.85448	1.4
103.05476	3.2
105.07033	2.7
107.08588	2.4
109.10158	23.0
113.09624	1.8
115.05454	2.7
116.65383	1.8
121.10148	2.1
123.04423	3.6
123.11713	3.0
129.06996	3.8
131.04889	7.9
137.06000	1.8
143.04932	4.4
143.08598	2.8
145.06487	5.1
145.65590	1.5
149.05980	30.8
151.07541	2.3
154.07686	2.9
155.08530	4.8
157.06479	6.9
159.08025	3.0
161.05975	6.9
163.07526	11.7
165.09123	15.2
169.06398	1.9
169.10138	9.2
171.07962	2.7
173.05965	18.8
175.07520	9.9
177.09181	2.5
179.07005	3.2
179.10689	2.9
181.08592	5.3
182.07353	2.4
183.08031	12.7
184.08792	2.1
185.09584	7.1
187.07541	4.8
187.11163	5.2
189.09125	3.7
191.10652	84.8
192.10921	2.4
193.08607	4.4
195.08083	2.2
197.09604	21.0
197.13373	2.1
199.11162	2.5
200.08310	7.6
201.09128	6.0
203.10709	13.9
205.12236	42.0
206.12602	2.4
211.11151	3.5
215.10660	100.0
216.11009	5.6
217.12215	35.7
219.13670	1.6
221.11696	4.4
225.12677	9.9
229.12218	8.9
231.13776	5.1
239.14276	14.1
243.13763	21.8
245.15302	5.4
248.96150	1.8
256.14600	3.7
257.15402	22.0
271.16922	6.8
275.16409	7.6
281.18973	27.1
285.18494	3.1
287.20084	25.2
299.20023	57.7
300.20468	5.0
306.17545	1.6
317.11633	12.8
317.17438	36.4
317.21115	48.0
317.24792	2.8
318.17801	3.2
318.21124	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	2,17beta-Dihydroxy-17-methylandrosta-1,4-dien-3-one
Peak:m/z	Relative Intensity
55.05504	7.9
57.03423	3.1
57.07070	1.8
59.04981	1.6
67.05494	4.2
69.07062	3.0
69.17484	2.0
69.17878	2.6
73.43174	0.7
79.05513	0.9
81.07043	5.0
83.08624	3.8
85.06522	5.9
91.05453	2.0
93.06984	1.4
95.08588	12.0
97.10141	1.3
99.08078	2.3
101.25873	0.8
103.05473	4.3
105.07012	1.6
105.73949	0.7
107.08540	0.9
108.78484	0.8
109.10129	7.4
111.08117	1.0
113.09630	3.0
115.05473	2.3
117.07002	6.9
119.08575	1.1
121.10139	1.0
123.04404	3.4
128.06204	2.2
129.06979	3.3
130.07582	0.9
131.04919	9.3
131.08569	2.3
132.05717	1.0
141.06969	1.6
143.04877	1.6
143.08553	9.7
145.06468	16.5
145.07587	1.5
145.10158	1.0
147.04395	2.4
147.11684	1.8
149.05978	21.9
152.02562	0.8
153.07057	0.8
153.12686	1.3
155.08536	3.5
156.09348	1.3
157.06470	4.1
157.10100	2.3
158.07158	1.3
159.08054	3.9
160.05145	1.0
161.05965	5.0
161.13179	0.8
163.07527	30.3
165.09099	37.3
166.09581	0.9
169.06465	1.5
169.10115	3.0
171.08025	12.6
171.11732	0.9
172.08528	0.8
173.06010	2.6
173.09622	3.7
174.06752	0.9
175.07498	6.2
177.09105	5.9
179.10654	2.2
181.06403	0.9
183.08066	3.7
183.11668	1.0
185.05989	1.1
185.09608	3.5
185.13260	1.9
187.07571	5.0
188.08289	2.2
189.09105	9.7
190.09406	1.1
191.10648	52.2
191.77493	0.9
192.11075	2.0
195.08038	1.3
196.08795	1.1
197.09608	5.4
197.13371	1.1
199.07443	1.2
199.11171	3.1
200.08275	1.6
201.09090	7.7
201.12698	1.6
202.09933	1.8
203.10667	9.0
205.12221	100.0
206.12595	3.3
207.10100	1.9
209.09601	1.1
211.11119	2.4
211.14735	1.9
213.09210	1.0
213.12733	2.0
214.09874	1.2
215.10663	9.5
216.11395	2.2
217.12234	13.9
219.13756	10.6
223.11243	1.3
225.12846	1.1
227.10602	1.2
229.12242	13.3
230.12715	1.0
231.13771	39.8
232.14159	2.2
233.11743	3.5
233.15309	7.9
234.12492	1.5
239.14304	7.4
241.12218	2.8
241.98140	0.8
242.12775	0.9
243.13782	20.6
244.14201	1.4
245.15341	5.8
255.13913	1.7
256.14529	5.1
257.15350	13.4
258.15540	0.8
270.16058	1.6
275.16342	1.7
281.18970	7.2
299.20013	65.1
300.20264	4.2
302.04178	1.0
317.06607	1.5
317.21033	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	317.2109
Annotation	(+)-Phomactin C
Peak:m/z	Relative Intensity
55.05513	3.5
55.15290	0.6
56.38266	0.7
67.05482	2.5
69.07062	5.2
69.21124	4.5
74.65798	0.7
79.05498	0.8
81.07036	3.0
83.08617	0.8
91.05484	1.5
93.07055	0.8
95.08609	5.9
96.23301	0.9
97.10149	1.5
103.05481	0.8
105.07021	1.7
107.08598	0.9
109.10151	4.8
113.09666	0.9
115.05431	0.9
117.06992	1.4
119.08569	2.3
121.10115	1.2
123.11710	1.8
129.07053	1.4
131.04912	1.1
133.06447	1.6
133.10139	1.4
137.05962	7.3
139.11145	1.7
143.04890	1.0
143.08553	0.9
145.06468	2.2
147.08038	11.3
149.05966	4.9
151.07524	2.1
151.34372	0.6
153.06992	1.1
155.08601	1.1
157.06462	1.3
157.10147	1.1
159.08058	2.5
161.05959	3.3
161.13246	1.7
163.07495	2.1
165.09099	2.7
167.07204	0.8
169.10133	2.6
171.08008	1.1
173.05949	2.8
173.09657	0.8
175.07530	19.0
179.06985	1.2
183.08005	2.3
183.11720	1.1
185.09534	1.9
187.07495	1.3
187.11134	1.2
189.09114	1.6
191.10651	12.0
193.08646	4.8
197.09612	4.7
197.13303	0.8
200.08293	3.3
201.09091	2.2
203.10670	2.7
205.12245	9.1
207.09956	0.9
211.11183	1.4
215.10649	17.6
216.11226	0.8
217.12189	7.9
225.12721	2.0
229.12216	2.5
231.13739	0.8
239.14343	2.1
241.12177	1.2
243.13765	3.3
248.26215	0.7
256.14618	1.1
257.15366	2.4
271.16891	4.3
281.18967	3.6
282.19452	0.9
285.18518	1.8
287.20001	6.8
299.20020	4.8
317.11456	100.0
317.17456	25.7
317.21100	46.9
318.11780	8.0
318.17862	1.9
318.21509	3.6
335.12515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2108
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
52.13604	0.3
53.03945	0.5
55.05507	5.1
57.07076	2.7
58.06578	0.4
60.04517	0.5
67.05493	3.2
69.03423	0.6
69.06706	0.6
69.07062	9.4
70.06584	0.5
71.08643	0.4
77.44173	0.3
79.05477	2.1
81.07050	21.6
82.07390	0.6
83.04983	0.4
83.08610	3.4
85.06559	0.5
87.05597	0.6
88.04012	0.6
88.07642	1.5
88.60812	0.3
91.05492	1.0
93.07034	1.2
95.04940	0.3
95.08597	6.3
97.10162	0.4
98.97575	0.7
102.09181	0.3
103.05420	0.4
105.07013	2.5
106.08620	0.6
107.04950	0.3
107.08577	0.9
108.05711	0.7
109.10133	1.8
115.05434	0.4
117.07005	0.7
119.04869	0.4
119.08556	1.0
121.06488	0.4
121.10134	1.7
122.49683	0.3
123.04414	2.1
123.11694	55.2
124.12047	1.6
129.06973	0.4
131.04939	0.5
131.08568	0.5
133.06471	0.7
133.10118	0.6
135.08032	0.3
136.05170	1.0
137.02298	2.7
137.05978	1.3
139.11174	0.8
141.07036	0.4
143.04944	0.7
143.08531	0.7
145.06461	2.8
145.10104	0.4
147.04460	0.4
147.08022	0.8
147.11624	1.1
149.05948	1.7
151.07513	0.8
155.08534	1.6
157.06461	1.4
157.10085	0.3
159.08089	1.5
161.05978	2.1
163.03845	0.4
163.07527	3.4
164.04694	2.8
165.05467	1.4
165.09097	3.7
165.80415	0.3
169.10091	0.4
171.08022	0.8
173.05972	2.4
173.09634	0.6
175.07565	1.5
177.05414	1.3
177.09120	1.7
179.07011	75.0
180.07359	2.9
183.08046	1.7
183.11818	0.4
185.09549	0.4
187.07552	3.0
187.11130	0.6
189.05505	0.7
189.09091	1.2
191.07001	1.8
191.10629	1.0
195.10147	0.4
197.09557	1.4
199.11118	1.0
200.08313	0.4
201.09097	2.3
201.12778	1.2
203.06944	0.6
203.10622	3.2
205.08597	0.9
205.12202	1.3
207.10127	1.8
211.11075	0.6
212.23688	1.4
215.10669	1.9
217.12297	0.9
219.10129	1.1
221.11684	5.8
225.12770	0.5
229.12227	4.2
230.12775	0.4
231.13786	0.8
233.11778	1.5
236.43852	0.3
239.14229	1.2
241.12245	0.7
243.13919	1.4
245.15318	1.1
245.41209	0.3
249.14835	1.0
255.24243	3.0
256.14487	1.0
256.22708	3.4
256.25604	0.4
256.26147	0.4
257.15414	1.4
257.22586	0.3
261.14755	0.5
267.48727	0.3
270.27869	0.5
271.16901	2.3
273.18427	0.5
274.27457	1.6
275.16397	5.4
276.16504	0.4
281.18738	0.4
281.95438	0.3
287.16241	0.4
299.16586	0.4
299.20142	1.6
301.20068	0.3
316.32022	0.7
317.11639	6.4
317.17419	16.3
317.21005	100.0
317.32004	2.4
318.11703	0.5
318.17740	1.0
318.21326	6.7
318.29901	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.5
55.15290	0.6
56.38266	0.7
67.05482	2.5
69.07062	5.2
69.21124	4.5
74.65798	0.7
79.05498	0.8
81.07036	3.0
83.08617	0.8
91.05484	1.5
93.07055	0.8
95.08609	5.9
96.23301	0.9
97.10149	1.5
103.05481	0.8
105.07021	1.7
107.08598	0.9
109.10151	4.8
113.09666	0.9
115.05431	0.9
117.06992	1.4
119.08569	2.3
121.10115	1.2
123.11710	1.8
129.07053	1.4
131.04912	1.1
133.06447	1.6
133.10139	1.4
137.05962	7.3
139.11145	1.7
143.04890	1.0
143.08553	0.9
145.06468	2.2
147.08038	11.3
149.05966	4.9
151.07524	2.1
151.34372	0.6
153.06992	1.1
155.08601	1.1
157.06462	1.3
157.10147	1.1
159.08058	2.5
161.05959	3.3
161.13246	1.7
163.07495	2.1
165.09099	2.7
167.07204	0.8
169.10133	2.6
171.08008	1.1
173.05949	2.8
173.09657	0.8
175.07530	19.0
179.06985	1.2
183.08005	2.3
183.11720	1.1
185.09534	1.9
187.07495	1.3
187.11134	1.2
189.09114	1.6
191.10651	12.0
193.08646	4.8
197.09612	4.7
197.13303	0.8
200.08293	3.3
201.09091	2.2
203.10670	2.7
205.12245	9.1
207.09956	0.9
211.11183	1.4
215.10649	17.6
216.11226	0.8
217.12189	7.9
225.12721	2.0
229.12216	2.5
231.13739	0.8
239.14343	2.1
241.12177	1.2
243.13765	3.3
248.26215	0.7
256.14618	1.1
257.15366	2.4
271.16891	4.3
281.18967	3.6
282.19452	0.9
285.18518	1.8
287.20001	6.8
299.20020	4.8
317.11456	100.0
317.17456	25.7
317.21100	46.9
318.11780	8.0
318.17862	1.9
318.21509	3.6
335.12515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Cespitularin H
Peak:m/z	Relative Intensity
50.32626	1.7
55.05503	4.4
56.05037	6.8
57.07077	11.6
58.06596	4.2
60.04530	8.4
61.74492	1.8
69.07062	3.9
69.56676	4.2
69.57066	3.9
70.06584	6.6
71.08633	3.1
74.06072	5.6
79.05470	2.5
79.17966	1.8
81.07069	5.5
85.06544	1.9
88.07630	26.0
91.05490	5.7
93.07064	3.1
95.08595	11.4
96.35883	1.7
98.97610	2.3
105.07040	4.4
106.08678	9.9
107.08547	2.3
111.08081	2.5
117.07040	7.1
118.08621	4.7
119.08581	5.1
121.06515	2.5
121.10167	4.7
122.08167	2.6
128.06169	3.2
129.07031	5.1
131.08571	5.2
133.10077	9.7
137.05972	23.5
137.06906	2.9
139.93019	2.1
142.07802	6.5
143.08534	6.5
145.06468	14.4
145.10097	2.6
147.07986	3.3
151.07553	9.6
154.07716	2.7
155.08580	9.0
157.06514	3.0
157.10083	11.3
159.08081	9.0
161.05927	3.0
161.09779	2.6
163.07527	45.9
165.09140	3.6
167.08560	3.0
169.10121	7.5
171.08054	9.2
173.09659	5.3
175.07489	11.4
177.09114	9.8
179.08672	1.7
179.10677	5.2
182.10860	2.5
183.08067	4.2
185.09576	17.5
186.10216	2.1
187.07533	44.1
187.11125	3.9
189.09077	22.4
191.10677	5.5
193.90379	2.0
195.08054	2.7
196.09044	2.0
197.09644	8.2
197.13284	3.4
199.11345	2.8
201.09087	15.5
201.12698	2.3
202.09851	2.7
203.10683	14.9
205.12286	5.8
209.09749	3.7
211.11160	6.4
211.14815	6.2
213.12859	3.7
214.09816	3.0
215.10718	7.8
215.14198	4.3
224.11896	2.4
227.14325	4.0
228.11467	2.2
229.12260	4.7
229.15836	17.5
231.13907	3.5
239.14246	21.3
239.17973	3.8
241.12297	2.6
242.13029	2.2
243.13742	3.0
251.14217	3.1
256.26419	5.7
257.15366	100.0
257.18817	6.7
258.15707	7.0
270.27826	18.4
271.20529	7.8
274.97433	2.2
275.16403	51.0
281.19019	13.0
291.51895	1.9
299.20041	22.7
300.20270	2.3
316.32086	7.5
317.05746	3.0
317.21133	7.3
317.29007	3.5
317.32379	18.6
318.29977	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	8.8
69.07060	3.8
73.13059	2.8
79.05480	7.9
81.07053	15.9
83.08625	3.2
89.81881	2.6
91.05466	8.1
93.07030	19.7
95.04977	4.1
95.08597	48.5
97.06545	5.3
100.56611	3.1
105.07034	11.0
106.38096	3.1
107.04926	3.4
107.08595	6.6
108.05733	7.8
109.10157	8.3
119.08569	14.4
121.06487	4.8
121.10136	5.7
123.07163	3.3
123.08059	60.3
123.11674	5.0
133.06494	9.4
133.10147	3.1
135.08034	6.2
137.06029	5.5
137.09555	4.3
143.08531	5.6
145.10106	4.1
147.08047	12.8
147.11684	2.8
149.09656	3.1
149.13261	4.2
150.93153	2.8
151.07509	6.4
159.08055	5.5
159.11714	5.8
163.79807	3.0
165.09077	4.8
173.09579	5.1
175.07547	5.3
184.40446	2.9
189.09125	5.4
193.08623	12.3
203.10652	13.1
209.78464	2.9
227.10689	3.5
229.12207	3.3
229.15749	3.1
231.10228	4.2
241.15999	3.9
256.14615	3.0
271.16962	5.3
272.17554	3.5
281.11615	6.0
288.17136	5.9
299.19882	4.6
317.17450	100.0
317.21707	25.2
318.17960	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	317.211
Annotation	3beta-Hydroxy-9beta-pimara-7,15-diene-19,6beta-olide
Peak:m/z	Relative Intensity
51.47988	1.4
55.05507	13.6
69.07063	9.9
69.73389	4.5
69.73773	2.7
81.07052	2.8
82.88656	1.5
88.73338	1.5
91.05464	3.7
93.07015	2.2
95.08620	3.2
97.10166	20.0
105.07053	3.3
107.08624	1.7
109.10146	2.6
111.11698	2.1
115.05435	4.0
119.08564	1.7
123.11676	2.4
124.97518	1.6
128.06209	10.0
129.06996	6.7
133.06485	2.4
135.04401	2.2
141.06993	2.7
142.07722	2.6
143.08554	22.5
145.06430	2.0
147.04446	2.5
147.08051	2.7
147.11566	1.7
148.05212	1.7
155.08582	2.9
155.27394	1.7
157.10103	7.0
159.08153	1.8
160.05223	3.3
161.05956	14.3
161.09602	3.2
163.07570	9.9
169.10132	1.9
171.08052	14.1
174.06773	3.5
175.07553	12.4
177.09132	5.0
181.08568	2.1
183.08072	2.0
185.09604	5.7
187.07555	3.2
189.09091	100.0
190.09462	4.3
195.10223	2.8
197.09618	3.2
199.11208	1.8
201.08986	7.2
203.10643	43.5
203.12434	2.8
204.11058	2.3
207.10161	84.8
208.10452	2.4
215.10677	12.3
217.12263	12.6
221.11717	13.6
229.12236	4.1
233.11687	3.5
235.13339	10.1
243.13716	5.2
261.14786	2.6
269.19174	1.7
271.16711	7.4
299.16727	2.2
299.20001	36.1
300.20340	2.3
317.11264	2.3
317.17438	23.9
317.21115	40.9
318.21472	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03550	6.6
58.17086	6.2
60.82113	7.1
61.02932	9.8
68.24904	7.3
69.03423	17.1
81.03407	9.4
85.02904	100.0
91.03901	8.2
97.02874	22.9
98.97604	9.9
106.99819	7.7
109.02856	13.2
116.98610	11.7
121.06493	83.9
127.03914	32.0
134.99664	8.3
145.04955	34.8
180.08688	17.2
187.07503	11.9
319.13568	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	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01880	2.4
56.96549	2.8
57.03431	3.9
57.98571	2.0
61.02926	7.4
64.79939	1.8
69.03422	20.6
70.06596	8.8
71.04988	2.5
71.41692	2.1
71.59084	2.4
72.08163	5.2
73.02922	4.6
81.03419	7.6
81.97784	1.9
85.02896	100.0
87.04457	2.8
91.03951	3.1
91.05476	4.6
93.07035	4.5
97.02891	20.8
98.97582	3.2
103.05450	2.7
109.02891	8.1
116.98649	3.6
121.06493	78.5
127.03891	20.9
145.04959	34.3
145.06184	3.1
145.06512	2.8
150.67691	1.9
151.03970	2.9
159.08011	5.0
163.06018	7.5
180.08649	2.3
187.07486	17.5
194.60965	2.0
205.08615	9.5
217.08678	2.1
229.08536	4.5
234.69374	2.0
247.09610	3.3
254.97113	2.2
260.38794	2.1
265.10706	2.9
318.12344	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.01875	2.6
57.03426	4.2
59.05553	2.5
61.02916	8.4
69.03426	13.4
70.13077	2.2
70.49573	3.8
72.85645	2.2
73.02909	2.9
81.03408	3.4
85.02899	100.0
91.03935	4.6
91.05483	2.7
93.07019	3.8
97.02905	20.8
98.97565	3.1
99.04420	4.6
99.90141	2.2
109.02889	9.2
114.87669	2.3
121.06503	74.5
126.63854	2.2
127.03913	17.1
145.04933	32.0
145.06007	3.1
145.06491	2.4
159.08031	3.7
163.06035	7.1
175.07489	2.5
180.08714	2.8
187.07523	16.5
205.08583	7.3
213.21631	2.4
229.08531	3.5
247.09859	4.1
330.74194	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	318.1698
Annotation	4-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
57.27997	0.5
67.05487	1.9
69.07126	0.9
69.07534	3.1
77.03885	0.6
79.05479	2.3
81.07087	1.1
85.33717	0.5
87.45686	0.5
91.05454	1.3
94.05967	0.5
94.06551	1.7
95.04980	0.8
96.08119	1.1
98.22631	1.1
102.68831	0.6
105.07013	1.4
107.04979	0.7
109.06509	1.0
109.60921	0.5
109.93710	0.5
115.05443	1.9
117.06181	0.8
117.07005	16.1
119.08556	0.9
122.06041	1.1
128.06200	2.8
129.06975	1.2
130.13647	0.5
130.95987	0.5
131.08560	2.4
133.06447	1.4
133.10144	0.6
140.07043	4.6
141.06996	0.8
143.08551	8.5
145.06511	4.9
155.08554	4.4
158.09599	2.2
159.08025	2.0
160.07568	0.7
165.06975	1.3
167.08516	0.7
169.10153	1.2
170.09644	1.1
171.08038	11.7
172.07567	0.7
173.05981	3.5
180.08023	0.8
180.09380	1.4
181.09975	0.6
181.76877	0.5
184.11279	0.7
186.09111	1.8
192.09344	0.7
193.10020	0.6
194.09654	0.7
195.11676	3.0
197.13297	1.9
207.10396	0.9
212.14348	2.3
214.08611	65.5
215.08960	2.6
222.12724	1.1
223.11183	0.8
226.08542	2.8
235.09912	1.8
240.13797	3.5
243.13747	0.7
250.12276	2.3
251.10606	0.7
268.13309	43.5
269.13690	1.3
300.15909	100.0
301.16299	4.3
318.16946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	21.0
66.16341	3.0
81.41509	3.6
87.12825	2.8
93.00806	3.3
98.97573	100.0
99.60022	3.1
110.26070	3.2
116.98609	73.3
119.01902	6.4
134.99654	37.5
143.45584	3.4
174.97668	7.9
177.00922	11.1
179.00650	8.5
192.98691	10.3
194.91048	4.0
198.97520	3.1
205.02347	7.2
212.92247	13.6
216.98650	57.2
219.02031	18.2
220.02028	5.7
221.01900	3.4
228.90224	3.3
230.93300	19.6
234.02971	3.0
234.96292	5.4
234.99715	95.7
235.03311	5.7
235.32280	3.5
240.98657	4.7
248.94312	9.9
254.93301	21.7
256.96609	4.9
258.99750	44.6
259.99899	10.9
261.03043	8.5
262.03012	4.5
263.02847	9.9
264.03003	27.1
272.94354	85.5
274.97592	13.0
276.97598	9.5
277.00781	49.2
277.04065	7.1
278.00824	14.7
278.93134	3.7
279.00705	5.5
282.99939	8.9
287.04053	3.8
288.92184	7.5
290.95355	45.4
295.05362	6.2
296.94321	5.9
298.97879	5.0
300.97510	11.9
301.01126	18.1
302.01004	4.1
314.95358	21.3
316.98773	9.5
318.98578	26.3
319.06882	3.9
336.95309	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	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49590	8.2
56.96564	10.6
62.74564	7.4
68.18939	7.1
87.28139	8.7
98.97575	27.3
101.28416	7.7
110.97619	9.4
119.01921	8.7
136.94009	31.9
158.99574	9.3
164.55270	8.7
237.02870	9.5
319.07596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95334	7.2
54.73122	6.2
70.04035	21.1
98.97574	12.0
115.21048	7.5
119.22234	7.6
128.06956	6.1
157.38290	8.1
169.48273	6.2
180.91759	6.7
231.99123	8.1
319.07837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05485	1.3
81.07040	1.1
84.71406	0.9
95.04955	1.7
95.08600	1.7
99.59644	1.2
101.68272	1.1
105.07074	1.2
107.04950	56.5
107.08564	1.8
121.10148	1.0
129.03108	4.4
175.07539	1.7
179.07033	1.4
195.06311	1.8
213.07321	100.0
214.07686	2.5
267.54459	0.9
271.16864	1.9
286.46005	1.0
289.17957	1.5
301.17935	2.1
319.11841	5.5
319.15366	1.7
319.19000	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	319.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.1
56.58187	0.6
56.73263	0.6
57.07056	0.8
61.22572	0.8
70.06586	1.1
70.50471	0.8
70.50790	1.1
74.06052	0.9
81.29906	0.6
82.82454	0.5
85.25566	0.6
88.07632	4.8
118.08623	1.0
119.70174	0.7
122.08139	1.0
145.90915	0.7
153.71187	0.7
157.29599	0.6
164.77373	0.8
173.09259	0.7
175.07532	0.8
256.26236	1.2
270.27838	3.0
271.28229	1.2
288.61438	0.6
291.13263	0.7
301.18024	2.3
318.29919	9.6
319.07059	3.1
319.13010	100.0
319.18381	6.1
319.30225	5.0
320.13327	4.8
337.14035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48252	0.4
70.93637	0.8
73.64358	0.6
75.11835	0.5
96.81539	0.4
101.33241	0.4
104.37747	0.5
121.40285	0.5
148.20306	0.5
168.64050	0.4
252.89211	0.5
313.12177	0.5
319.13013	100.0
320.13330	5.5
337.14178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63919	0.4
51.80448	0.5
57.07060	1.3
60.04525	0.5
66.11199	0.5
66.31790	0.6
67.05479	0.5
69.07065	0.6
69.92202	1.6
70.06580	3.0
70.17852	0.4
71.08636	0.5
72.30277	0.4
73.50379	0.5
76.89537	0.5
81.07053	1.0
88.07612	3.3
91.61008	0.5
93.82045	0.5
100.40540	0.5
102.09155	2.0
137.06018	0.5
151.07533	0.8
177.08939	0.6
245.14650	0.4
256.26306	5.8
257.26773	2.3
271.16962	0.5
301.17917	1.9
301.21109	0.8
318.29971	10.9
319.13007	100.0
319.18359	5.5
319.30261	6.1
320.13385	5.3
337.13934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.19
Annotation	Salvidorol
Peak:m/z	Relative Intensity
55.01858	1.3
55.05499	1.8
57.03414	0.5
67.05496	2.0
69.03413	0.8
69.07057	5.5
69.75126	0.5
69.75469	1.4
70.78903	0.4
71.04984	0.9
73.20963	0.4
79.05479	2.0
81.03415	0.8
81.07056	2.7
83.04967	0.9
83.08613	1.7
91.05463	1.8
93.07027	2.9
95.04961	0.8
95.08605	2.8
98.22684	0.4
105.07001	2.9
107.04896	0.5
107.08591	2.6
107.52526	0.4
109.06496	0.8
109.10142	2.2
111.08050	0.6
115.05429	0.5
117.07008	1.5
119.08554	2.1
121.06493	1.7
121.10114	2.8
123.04404	0.6
123.08067	0.9
128.06236	0.4
129.06984	1.5
130.07765	0.4
131.08530	1.9
133.06465	0.7
133.10133	1.5
135.08043	6.7
137.05951	5.6
139.11156	3.0
143.08560	2.1
144.05573	0.4
145.06474	1.0
145.10086	1.3
147.08026	3.3
147.11659	1.2
149.05995	2.7
149.09625	0.9
150.06741	0.6
151.07530	7.8
151.11183	1.5
155.08498	0.9
156.09212	0.4
157.06485	0.7
157.10135	0.9
159.08015	2.8
159.11679	1.0
161.05954	0.5
161.09583	1.6
163.07526	5.3
163.11137	1.5
165.09047	0.8
169.10066	0.7
169.12320	0.8
171.08018	2.1
171.11682	0.9
173.09627	1.4
174.06696	0.8
174.10370	0.8
175.07516	8.2
176.07971	0.4
176.48820	0.4
177.05493	1.3
177.09079	4.5
181.10139	0.4
185.09583	1.0
187.07504	2.2
187.11188	0.5
189.09090	3.1
191.07008	0.9
191.10652	0.7
195.06488	0.5
197.09541	1.0
197.13286	0.6
199.07475	0.6
199.11095	1.2
201.09111	1.0
202.09827	1.4
202.79823	0.4
203.10664	2.0
205.08507	0.6
213.08888	0.5
214.09845	0.4
215.10625	1.2
217.08563	0.6
227.10657	0.7
227.14294	0.8
241.12216	0.8
242.12962	0.7
255.17551	0.6
256.14224	0.5
271.16916	1.8
273.18384	2.9
283.16910	0.6
288.17261	1.0
289.17950	16.3
290.18085	0.7
301.17944	33.0
302.18411	2.2
319.18997	100.0
320.19330	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	319.1901
Annotation	CHEBI:85576
Peak:m/z	Relative Intensity
53.47837	0.4
55.01870	1.7
55.05510	2.7
67.05489	2.2
69.03416	0.9
69.06714	0.7
69.07063	8.3
71.04995	0.6
78.78668	0.6
79.05486	1.8
81.07047	3.6
83.04983	1.1
83.08613	2.7
90.90748	0.5
91.05471	1.8
92.89877	0.6
93.07029	3.5
95.04951	1.5
95.08600	5.2
105.07037	2.9
107.08573	3.0
109.06519	0.9
109.10136	2.5
111.08050	0.9
117.07024	1.0
119.08576	2.2
121.06483	1.3
121.10111	3.4
123.04416	2.3
123.08034	0.7
123.11716	1.2
129.06999	0.9
131.08530	1.5
133.06453	0.9
133.10143	1.7
135.08047	9.4
137.05984	2.6
139.11177	5.2
141.06937	0.7
143.08536	1.5
145.06494	0.8
145.10123	0.9
147.08063	2.7
149.05971	0.8
151.07532	12.9
151.11176	1.1
157.06534	1.1
157.10156	1.0
158.07288	0.5
159.07996	2.8
159.11777	0.6
160.05148	0.9
161.05962	0.6
161.09569	2.3
163.07538	7.3
163.11179	1.8
167.10573	0.7
169.04951	2.6
169.12178	0.6
171.08037	3.4
173.09628	2.2
174.06764	0.6
175.07544	10.6
176.08214	0.5
177.09099	2.5
179.07022	0.6
185.09613	1.2
187.07579	1.7
187.11215	0.8
189.09135	3.2
190.09880	0.6
191.06995	0.9
191.10603	1.1
197.09648	0.6
197.13304	0.7
199.07495	1.2
199.11079	0.8
206.93872	0.5
213.09145	1.0
215.10646	0.6
217.08508	0.8
227.14273	0.8
233.11815	0.9
245.11760	0.9
255.17409	1.1
273.18439	3.0
283.16843	1.3
301.17960	60.7
302.18405	3.4
319.19006	100.0
320.19312	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	319.1904
Annotation	CHEBI:85576
Peak:m/z	Relative Intensity
55.01865	1.7
55.05493	2.2
57.03453	0.7
59.74148	0.8
67.05489	1.6
69.07060	7.4
69.51433	3.0
78.52708	0.6
79.05475	1.1
81.07041	2.3
83.04964	1.4
83.08623	1.8
91.05444	0.9
93.07043	2.0
95.04958	1.4
95.08592	3.7
105.07020	2.6
107.08585	1.8
109.10157	1.3
111.08133	1.0
119.08608	1.3
121.06551	0.7
121.10114	3.8
123.11697	1.1
129.06952	0.7
131.08580	0.8
133.10123	1.5
133.92392	0.8
135.08037	8.6
137.05983	2.3
139.11171	4.9
143.08562	2.5
145.06514	0.8
145.10081	1.0
147.08043	2.1
150.06667	0.8
151.07523	11.8
157.06367	0.9
157.10190	0.8
159.08055	2.6
161.09622	1.9
163.07547	6.8
163.11185	1.8
169.10210	1.2
169.12291	1.0
171.08058	2.0
172.54283	0.7
173.09521	1.2
174.06793	1.6
175.07555	9.3
177.09103	2.4
185.09512	0.8
187.07523	1.1
189.09131	3.6
190.09892	0.9
191.07019	0.8
198.54008	0.7
199.07545	1.1
201.09047	0.8
233.11618	1.2
233.18797	0.7
245.11824	1.1
273.18503	2.4
283.16974	1.1
301.17969	54.1
302.18307	2.8
319.19022	100.0
320.19342	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	319.1903
Annotation	Salvidorol
Peak:m/z	Relative Intensity
51.75773	0.3
55.05509	1.6
57.03434	0.4
57.07082	0.3
67.05496	1.7
69.03423	0.6
69.07059	2.6
69.22938	1.4
69.23347	0.6
79.05479	1.2
81.07050	3.7
83.04984	0.5
83.08616	0.6
86.89597	0.3
91.05468	1.4
93.07054	2.1
95.04939	0.5
95.08588	2.0
96.64204	0.3
105.07034	2.4
107.04942	0.8
107.08581	1.4
109.06496	0.3
109.10144	2.4
111.04371	0.4
115.73961	0.3
117.06993	1.1
119.08575	1.2
121.06508	1.4
121.10146	2.0
123.08046	0.4
123.11678	1.5
125.05964	0.4
129.06978	1.1
131.08566	1.2
133.06488	2.9
133.10144	0.6
135.08000	0.5
137.05974	14.1
139.11180	0.5
142.07759	0.6
143.08557	1.3
145.06490	2.6
145.10126	1.0
147.08041	1.2
147.11702	0.9
149.05940	0.6
149.09628	0.5
149.13242	0.4
150.06740	0.9
151.03926	0.9
151.07494	1.0
153.06993	0.4
155.04860	0.3
155.08545	3.2
157.06476	1.0
157.10106	1.1
158.07239	0.6
159.08037	1.9
161.05966	4.9
161.09602	0.8
163.07553	1.5
165.12717	0.5
167.08554	0.6
168.09344	0.7
169.10133	0.9
171.08032	4.4
172.08679	0.4
173.05980	0.6
173.09576	2.0
175.07587	2.0
175.11075	0.4
176.08301	0.8
177.05515	1.8
177.09117	0.6
179.07016	1.3
181.10089	0.8
183.08023	1.7
183.11652	0.7
185.09590	2.2
185.13301	0.4
186.10388	0.7
187.07553	2.7
187.11179	0.5
188.08197	0.6
189.09090	2.7
191.07089	0.4
191.10620	0.5
195.08072	1.3
196.08894	0.6
197.09639	1.7
199.07532	1.0
199.11133	0.9
200.08246	0.8
201.09050	2.3
202.09677	0.5
203.06972	0.9
203.10657	6.7
203.12457	0.6
205.08594	0.5
209.09682	0.4
211.11212	0.4
213.09076	7.0
213.12733	0.3
214.09836	2.0
215.10666	0.8
219.10132	5.2
227.10660	2.7
227.14282	0.4
231.10153	2.6
241.12222	0.7
245.11809	0.5
253.15840	1.3
255.13771	1.2
256.14465	0.5
269.15298	0.5
270.16086	3.2
271.16864	4.2
273.14810	0.6
283.16876	0.4
288.17166	7.3
289.17892	2.8
301.17966	0.6
319.09351	3.7
319.19000	100.0
320.19366	7.5
320.23111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2265
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
53.03955	3.5
55.01870	1.8
55.05507	4.0
57.07080	2.8
58.35046	1.7
59.04997	6.8
59.75757	1.4
67.05499	23.2
69.03367	1.7
69.07069	5.1
71.05004	4.7
79.05480	12.0
80.18051	1.6
80.76691	2.1
81.03421	7.8
81.07053	68.7
83.04956	2.0
91.05476	11.8
93.07040	100.0
94.07355	2.0
95.04965	6.2
95.08598	58.6
97.06522	3.1
98.22684	4.3
99.08111	3.9
103.40633	1.6
105.04507	1.6
105.07024	10.6
107.04980	3.0
107.08591	37.4
109.06532	6.1
109.10172	6.6
111.04507	1.6
117.07050	3.1
119.08567	14.1
121.06520	5.6
121.10130	19.1
123.08063	3.3
123.11701	42.2
127.07523	2.9
131.08585	4.1
133.10091	9.0
135.08028	11.4
135.11650	1.9
137.05949	2.9
137.09593	4.6
143.08603	4.4
145.10158	3.9
147.11674	8.8
149.09616	45.4
149.13307	4.8
151.11179	9.1
153.09186	2.3
155.08588	1.8
157.10135	4.1
159.08026	2.1
159.11685	2.5
161.09650	7.2
165.12766	2.6
167.10648	2.4
169.10136	2.7
171.11714	2.5
175.14792	2.3
175.17522	1.6
177.09122	6.5
179.10617	15.8
183.11705	2.0
185.13301	3.8
187.14906	1.6
190.75627	1.8
191.10677	2.2
193.12202	2.7
195.10121	5.4
195.11798	2.1
197.11736	10.3
197.13329	2.9
199.14859	1.8
203.14272	8.9
205.12292	5.9
207.13815	3.1
213.16377	2.2
215.14333	3.6
227.14148	1.7
243.17381	3.9
255.21069	2.3
265.19559	2.4
279.62961	1.7
283.20441	9.0
289.18112	2.5
289.21451	2.2
301.21634	22.1
319.09430	16.7
319.19009	31.5
319.22702	18.9
320.19272	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	320.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	6.0
62.88667	5.5
67.05498	10.8
68.68006	4.9
69.07061	20.0
79.05494	13.6
81.06620	9.1
81.07053	100.0
83.08599	4.6
90.99645	4.5
91.05479	9.6
93.07064	10.6
95.08610	8.0
95.09157	5.2
97.06483	5.0
99.08102	9.3
105.07023	5.8
109.10081	5.1
123.79788	4.7
127.07568	45.0
133.10182	12.6
143.07031	9.2
145.08580	57.5
145.09665	5.7
145.10155	6.3
147.11682	6.7
158.30724	5.0
161.08061	6.1
177.42802	5.5
203.17912	8.2
233.06171	5.4
249.18478	10.2
267.19525	11.9
273.32138	5.1
290.18280	10.2
320.19522	27.2
320.27908	8.8
321.04047	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	321.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79118	1.6
51.80930	1.5
52.18417	1.4
61.41045	1.6
63.58829	1.6
80.94857	5.9
98.23630	2.8
104.99290	1.9
132.02670	1.6
205.10071	1.8
240.61340	1.9
261.09119	1.8
282.47528	1.6
320.25607	7.6
320.30478	2.7
321.08514	4.5
321.14575	100.0
321.26068	9.1
322.14896	5.5
322.27115	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58111	2.9
50.98270	2.7
56.96561	24.0
60.72216	3.6
70.00565	3.6
70.00914	9.2
70.06593	3.7
84.96037	5.8
98.96996	3.7
98.97588	43.5
105.04894	2.8
110.97564	11.3
116.98611	33.7
125.05980	3.7
128.98598	11.4
134.99646	13.0
140.98575	4.0
143.00194	3.9
146.99666	4.9
149.01335	3.3
158.99622	6.2
161.01262	6.4
162.99080	3.6
165.21349	3.5
170.99651	8.4
177.00719	11.2
184.89938	3.1
206.92670	3.5
219.01799	10.9
237.02823	21.6
237.04933	3.4
261.06415	6.2
278.96948	4.0
279.07489	39.9
280.07617	4.0
297.08524	5.7
321.09335	100.0
322.09647	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62108	0.9
57.07050	1.4
58.07402	0.9
67.05506	1.0
70.06574	2.6
70.42159	1.4
71.04988	1.8
71.06908	1.9
72.60567	0.8
74.72879	0.9
76.05385	0.9
79.05515	0.9
80.94832	1.4
81.07036	3.2
88.07607	1.3
93.07034	1.3
95.05031	0.9
95.08600	1.5
98.23374	1.1
99.95428	0.8
105.07022	1.3
109.10139	0.8
119.08534	1.3
121.10140	2.7
123.11679	3.8
129.09132	2.3
132.10228	1.4
134.10593	1.3
135.11749	1.1
151.11572	1.3
152.11691	1.5
177.82083	0.8
217.15843	1.7
276.27740	1.1
303.23059	0.9
320.30609	14.1
321.10931	100.0
321.30759	2.8
322.11200	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	321.1249
Annotation	Alangimarine
Peak:m/z	Relative Intensity
54.29763	5.4
55.05476	6.0
69.70161	21.4
72.23166	5.9
80.94838	8.0
88.76959	6.2
89.06027	9.2
109.25851	5.5
136.84770	6.7
143.76692	6.7
162.99893	6.2
241.59959	5.9
245.82141	5.8
249.44336	5.9
271.77719	5.5
280.75388	5.6
321.12158	100.0
321.17773	10.3
322.12839	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	321.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84147	0.6
53.03938	1.2
53.25045	0.6
63.96119	0.6
67.05502	11.9
68.90601	0.6
69.03410	1.1
74.13541	0.6
77.03959	0.7
79.05489	1.3
81.03410	3.8
81.07029	0.9
91.05467	1.8
93.07024	0.9
94.06561	11.8
95.04976	0.8
95.08620	0.9
98.23469	2.3
102.34511	0.7
109.02876	1.1
117.03358	0.8
122.06024	37.3
126.96889	0.6
136.07564	69.4
137.07935	1.2
140.07072	1.6
145.02843	2.3
147.81332	0.6
164.07054	100.0
165.07388	2.8
177.05428	4.3
182.08115	76.6
183.08417	1.5
194.85689	0.6
214.90558	0.7
242.63065	0.7
285.82394	0.7
286.10559	0.7
304.11761	1.2
321.03946	1.4
321.09683	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	321.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57703	0.5
67.81078	0.6
69.22601	3.1
70.53506	0.5
80.55649	0.5
92.58862	0.6
96.56527	0.5
96.61665	0.5
123.08024	1.3
148.58899	0.6
149.85687	0.5
159.47374	0.5
175.51866	0.5
179.14270	1.7
180.61789	0.5
220.92574	0.5
321.14569	100.0
321.24384	3.0
322.14917	5.1
322.18216	0.9
339.15540	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47124	0.4
54.43224	0.5
56.90047	0.4
57.65262	0.5
69.97062	1.4
71.93688	0.5
98.22739	0.7
225.85844	0.5
285.92340	0.5
321.14566	100.0
322.14914	4.9
339.15543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05507	1.9
60.04504	0.7
62.96259	0.5
67.05491	2.1
69.03416	3.0
69.07069	2.8
69.72533	0.9
69.72920	1.4
71.04994	1.0
73.51640	0.5
74.60678	0.6
74.89052	0.5
77.03340	0.5
77.03902	0.6
79.05479	2.2
81.03413	17.2
81.07037	4.1
85.06522	0.7
86.06049	0.5
86.09698	100.0
87.10040	1.3
88.07640	1.0
89.03917	0.9
91.05476	2.1
93.07032	4.6
94.56371	0.6
95.04981	2.7
95.08598	3.6
97.06512	1.0
97.10158	1.7
98.22774	1.1
98.52377	0.6
99.04446	0.6
103.05458	5.4
105.07008	2.4
107.04935	2.8
107.08596	3.2
109.02861	4.6
109.06512	1.0
109.10125	2.7
111.08073	0.8
117.03376	5.4
119.08563	1.6
119.18206	0.5
120.08095	91.4
121.06477	0.7
121.08427	2.1
121.10143	1.8
123.11683	1.3
128.10707	42.9
131.04932	3.0
131.08549	0.8
132.10173	0.7
132.59642	0.5
133.10117	1.7
135.08022	0.6
135.11676	1.8
137.09665	0.6
139.11174	0.8
145.02841	10.8
145.10133	1.0
146.05957	0.7
147.04417	0.8
147.11679	1.3
149.05931	3.5
149.09601	0.9
149.13324	0.7
151.11157	0.8
156.10179	12.0
159.11732	1.4
160.05113	0.7
161.13168	1.0
163.07501	0.9
163.11218	0.9
165.09244	0.5
165.12706	1.7
166.08627	49.4
167.09019	0.9
175.03833	0.5
177.05455	14.8
186.18475	1.1
201.16330	0.6
229.15741	0.5
230.21091	1.4
289.08484	0.9
293.01379	0.6
303.15790	0.7
303.23099	1.7
321.04077	1.0
321.09628	10.8
321.24222	3.5
322.25864	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18038	0.2
63.02366	0.4
69.91083	0.8
70.06584	0.4
70.23995	0.2
72.08153	3.5
78.63167	0.3
84.08135	12.1
89.03906	4.7
91.05457	0.5
99.09208	0.3
101.10770	4.9
103.05524	0.3
106.04138	0.3
108.06304	0.3
110.09682	0.3
117.03365	19.7
118.03646	0.3
127.08686	1.5
127.12301	0.9
128.10692	0.8
134.03609	1.0
135.04390	0.9
145.02832	62.8
145.13354	1.4
146.03166	2.1
147.04305	0.3
149.05959	7.0
149.07181	0.3
163.03870	0.7
177.05447	100.0
178.05801	3.2
190.32130	0.3
237.10176	0.2
248.12813	1.8
248.15225	0.3
265.15485	0.4
274.03073	0.4
277.15442	41.8
278.15668	1.9
303.17068	1.9
314.31216	0.3
321.03952	0.3
321.18030	4.8
322.18237	0.4
323.44580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.242
Annotation	(Z,Z,E)-10-Hydroxy-2,6,10-trimethyl-2,6,11-dodecatrienyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
55.05503	13.7
56.87083	1.0
57.07068	2.1
58.61854	0.8
67.05500	9.8
69.07060	8.3
71.04993	2.2
71.62904	0.9
79.05479	7.5
81.07047	20.4
83.04960	10.7
83.08615	2.7
85.06528	1.5
91.05458	12.7
93.07030	13.9
95.08592	32.1
96.04468	1.3
97.10199	1.7
105.07020	44.2
106.07349	1.1
107.08580	29.6
109.06487	0.9
109.10143	23.9
119.08572	33.9
121.10137	13.0
123.11691	6.3
131.08612	1.4
133.10110	28.5
135.11696	4.7
145.10104	2.3
147.11667	80.6
148.12056	3.1
149.13304	0.9
151.11189	1.5
159.11612	1.1
160.12453	1.4
161.13225	16.8
163.14783	12.2
174.14165	1.2
175.14824	5.2
177.16356	2.5
203.17926	100.0
204.18297	4.5
221.18999	7.1
246.24869	0.9
293.20700	1.0
306.60657	1.0
321.24185	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	321.2421
Annotation	(Z,Z,E)-10-Hydroxy-2,6,10-trimethyl-2,6,11-dodecatrienyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
53.03957	0.8
55.05502	10.7
57.07059	2.2
59.05005	1.0
62.06054	0.7
65.89891	0.7
67.05496	10.5
69.07053	7.8
69.28315	1.7
69.28725	2.3
71.04975	1.7
71.09521	0.7
72.51263	0.7
79.05475	6.8
81.07045	20.4
83.04971	9.9
83.08602	3.0
85.06533	1.2
91.05466	9.8
93.07024	14.9
95.04968	1.0
95.08595	34.6
97.06528	1.0
97.10165	1.4
105.07017	44.3
107.08579	29.6
108.08869	1.0
109.09420	1.3
109.10148	22.1
117.07000	1.1
119.08569	33.0
120.08921	0.8
121.10124	15.2
123.08052	1.2
123.11697	6.7
125.09648	0.9
131.08583	1.9
133.10114	24.7
135.11650	6.7
145.10121	3.3
147.11665	78.5
148.12007	3.1
149.13231	2.0
151.11156	2.7
159.11667	1.0
160.12466	1.1
161.13240	17.4
162.13557	0.8
163.14809	11.0
165.12717	1.8
175.14804	4.0
177.16351	2.9
203.17931	100.0
204.18254	3.8
213.50171	0.8
221.18977	7.9
224.36873	0.7
280.54190	0.8
321.24295	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	321.2423
Annotation	(Z,Z,E)-10-Hydroxy-2,6,10-trimethyl-2,6,11-dodecatrienyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
55.05507	11.6
57.07057	5.9
67.05493	9.2
69.07056	9.2
70.13751	4.6
70.14085	2.0
71.08623	3.5
77.50944	1.8
79.05495	9.1
80.94797	2.1
81.07049	20.7
83.04979	8.4
83.08621	3.9
85.06511	2.4
88.85361	1.8
91.05453	11.4
93.07044	16.7
94.13477	2.0
95.04963	2.9
95.08601	36.9
100.07613	3.2
105.07022	47.7
107.08578	28.7
109.06525	2.3
109.10143	24.9
119.08572	33.8
121.10130	18.3
123.08035	2.0
123.11687	7.3
131.08601	2.4
133.10117	23.5
135.11676	4.7
145.10161	2.1
147.11676	85.2
148.12090	3.1
149.13338	2.1
153.98576	2.0
156.13847	2.0
161.13272	19.2
163.14810	6.6
165.12796	2.3
175.14775	6.4
186.50740	1.7
190.72173	1.9
203.17929	100.0
204.18286	7.4
221.18967	7.4
260.52609	2.4
318.74515	1.8
321.24289	6.5
321.32458	5.8
324.91882	1.9
341.66812	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	(Z,Z,E)-10-Hydroxy-2,6,10-trimethyl-2,6,11-dodecatrienyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
55.05508	11.7
57.07060	2.1
64.95681	1.7
67.05486	6.5
69.01678	2.1
69.07073	9.0
71.43244	2.0
73.99473	1.8
79.05476	5.8
81.07044	22.4
83.04987	11.7
83.08592	3.9
91.05462	10.5
93.07033	16.5
95.08026	2.4
95.08606	35.9
105.07021	48.7
107.08584	34.2
108.08919	2.1
109.10142	24.3
119.08577	31.0
121.10127	15.9
123.11725	6.6
131.08591	2.7
133.10123	31.1
135.11667	8.3
145.10074	1.8
147.11668	85.1
149.13237	2.7
151.11194	3.1
159.11700	1.9
161.13257	16.3
163.14847	13.4
175.14803	2.4
177.16309	3.8
184.25662	1.9
203.17929	100.0
204.18256	4.4
220.03133	1.7
221.18994	6.4
321.24329	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	322.1436
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
50.01597	0.3
51.02373	0.4
53.03932	0.3
55.05507	0.5
56.24434	0.3
57.98285	0.2
62.06077	0.9
67.05512	0.6
69.07082	0.2
69.58732	0.5
69.59103	0.8
77.03922	0.5
78.03444	1.1
78.37872	0.2
79.05492	0.7
81.07047	1.0
91.05447	1.4
93.07030	0.8
95.04961	2.0
95.08619	1.2
95.45654	0.2
96.04484	100.0
97.04813	1.3
105.04514	0.9
105.07024	3.1
106.07325	0.3
107.04950	0.3
107.08588	1.1
109.10167	0.7
115.05453	0.7
119.04935	6.9
119.08570	1.0
121.10107	0.5
128.06223	1.0
129.06987	6.8
133.06477	2.6
133.10133	0.8
134.07262	6.3
134.10532	0.3
136.07564	1.3
141.06999	1.4
145.09959	0.3
147.11678	1.4
148.11963	1.0
157.06525	1.1
161.13316	0.4
162.13560	0.3
165.07048	0.3
171.08044	0.3
181.06517	0.5
185.05966	13.1
186.06409	0.3
199.07571	1.0
203.17932	1.9
204.18250	1.2
209.09592	0.5
227.10632	8.8
322.14395	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	2.3
63.02366	0.6
69.20161	2.5
72.08150	12.4
73.08483	0.5
75.09232	1.3
84.08146	3.1
88.22658	0.4
89.03909	3.9
96.37930	0.4
98.22707	1.1
98.97588	0.5
111.76565	0.4
112.11231	7.2
112.31721	0.6
117.03371	18.9
118.03690	1.0
118.06553	0.5
129.13872	4.4
134.03691	1.1
135.04408	0.9
145.02843	67.6
146.03181	3.8
146.16516	5.6
146.17599	0.8
147.04416	0.5
149.05969	6.7
150.06334	0.6
155.11821	2.7
160.07600	0.4
163.03902	0.9
165.06990	1.3
177.05460	100.0
178.05797	5.9
193.06541	0.8
205.06511	0.5
221.06007	2.6
234.11281	5.1
235.39362	0.4
239.07043	0.7
248.12845	6.7
249.05504	3.4
265.15457	0.9
267.06546	1.0
274.93750	0.6
276.08597	0.8
277.04898	2.0
278.15735	1.7
287.57404	0.5
295.05945	4.0
304.20273	0.9
305.04449	0.8
305.18573	7.8
322.21231	76.1
323.05515	7.7
323.21609	4.3
324.36490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
51.75631	0.3
53.03939	0.7
55.05507	4.0
57.07071	1.0
60.04529	1.0
60.05413	0.3
62.06082	100.0
63.06408	0.4
65.03934	0.6
67.05498	16.1
69.03436	0.3
69.07058	3.9
69.31476	0.7
69.31864	0.6
70.02949	0.6
71.05009	0.3
77.03941	0.3
78.83214	0.3
78.94584	0.2
79.05484	11.0
81.07048	18.9
83.08618	1.8
85.06549	0.5
91.05464	4.0
91.05968	0.3
93.07033	13.3
94.07388	0.4
95.04947	1.2
95.08595	13.2
97.06516	0.6
97.10179	0.9
98.06062	0.5
99.04436	0.6
105.04505	0.4
105.07014	3.2
107.08588	6.2
109.06521	0.3
109.10146	5.7
110.10487	0.3
111.08136	0.3
112.07655	0.3
117.07056	1.5
119.08592	2.5
121.10129	5.1
123.08051	0.5
123.11682	2.9
123.12401	0.3
130.08623	0.6
131.08542	2.8
133.10115	2.3
135.11674	3.9
137.13277	1.2
144.10176	0.7
145.10114	1.7
147.11684	1.1
149.13235	2.5
151.14748	0.4
158.11787	0.6
159.11722	1.0
161.13255	1.1
163.11281	0.3
163.14819	1.7
172.13326	0.5
173.13249	0.8
175.14804	0.5
177.12660	0.4
177.16367	1.5
186.14932	0.8
187.14896	0.5
195.61809	0.3
200.16429	1.1
201.16396	0.5
212.16579	0.4
214.17957	0.5
219.21109	0.5
226.18030	0.7
228.19556	0.4
233.22691	0.4
238.18199	0.5
240.19533	0.4
243.21097	2.6
250.74727	0.3
261.22137	3.8
263.23734	0.3
266.21060	0.3
304.26346	3.0
305.24609	2.1
315.10950	0.3
322.27396	13.7
323.27594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.9899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37579	5.2
56.96558	32.1
57.30553	4.4
69.03422	10.6
70.45844	5.0
77.20462	4.8
84.96018	6.1
89.59376	4.9
92.61965	5.1
98.97571	82.0
116.98615	59.7
122.07147	4.8
128.98543	6.5
134.99651	29.9
137.05989	8.4
147.04408	10.4
151.07571	4.8
161.03053	5.2
180.07668	7.0
180.97803	58.9
184.99277	4.6
185.04195	8.5
198.98891	100.0
217.00046	7.2
220.02032	7.9
239.04050	6.0
258.99753	39.2
274.97470	6.5
277.00742	38.0
279.07230	4.6
299.98587	5.8
322.99005	22.2
323.06213	19.9
340.99988	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	323.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09020	2.3
54.87473	1.9
56.96560	87.0
69.85332	3.2
69.85686	5.6
70.98116	25.9
74.97611	12.8
82.91240	2.1
84.96009	2.9
86.97582	6.6
88.99149	11.7
95.85049	2.0
96.92876	3.2
98.22807	3.4
98.97578	100.0
100.99154	2.3
107.00217	2.3
112.99148	2.2
114.97060	7.6
115.00709	3.3
116.98618	68.9
119.02012	2.3
121.01598	3.3
121.99132	2.6
124.95465	8.6
128.98601	6.9
132.98053	20.2
133.01651	4.2
134.99632	34.2
137.48555	2.4
142.96445	10.1
143.00212	2.7
144.98058	5.0
145.01738	3.0
146.99609	8.5
149.01308	3.0
150.99132	38.7
153.00740	4.0
158.99620	9.5
160.97540	5.9
162.99132	3.2
165.00681	9.0
169.00217	11.5
170.95988	11.1
174.99110	20.8
177.00703	9.9
180.97820	14.3
183.01799	2.6
184.97568	8.5
188.97038	38.7
189.00722	7.9
191.02132	2.4
193.00188	62.4
198.98930	23.3
202.98601	24.6
205.00021	3.3
206.98151	19.3
207.01634	4.7
211.01231	8.9
212.97078	5.1
217.00142	7.9
220.99678	38.9
230.98114	35.8
232.99666	2.6
235.01247	8.4
239.00723	16.6
244.99718	17.8
248.99135	12.1
258.99771	4.3
263.00726	62.7
277.00787	4.6
280.98465	2.3
281.01749	38.9
295.95901	2.2
299.02863	15.6
305.01868	2.6
322.98962	2.4
323.07193	3.4
341.00024	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0548
Annotation	7,7'-Dihydroxy-3,8'-biscoumarin
Peak:m/z	Relative Intensity
53.00326	0.4
55.01860	1.1
63.91247	0.5
64.22723	0.4
70.93263	0.5
137.02318	1.7
141.06963	1.8
145.02866	0.5
151.05409	0.5
152.06178	1.6
153.06967	1.6
155.08553	0.8
164.06265	0.7
165.06976	20.4
166.07431	1.0
168.05669	1.0
169.06442	1.6
174.03136	1.0
176.06172	3.5
177.06989	5.0
181.06480	1.7
183.08015	1.4
187.03940	0.6
192.05742	0.5
193.06468	12.5
193.08125	0.9
194.07220	1.2
195.07983	1.5
196.05180	1.2
197.05939	3.8
203.04813	0.7
203.08484	0.8
205.06453	9.1
209.06032	0.6
210.06721	0.9
211.07509	6.2
212.07977	0.5
213.01860	1.8
213.05327	0.7
220.05244	0.9
221.05940	29.5
222.06393	2.5
223.07507	2.6
224.04727	1.1
225.05428	5.3
231.04381	0.8
231.07980	1.2
233.05954	5.3
234.06554	1.1
237.05313	0.9
238.06285	0.9
239.07011	10.3
248.08292	1.0
249.05449	38.1
250.06125	4.3
251.07021	2.9
252.04155	8.2
253.04924	5.3
260.04663	0.8
261.05429	1.4
263.10754	0.8
266.05756	2.3
267.06506	22.2
268.06982	0.9
276.07709	0.6
277.04935	27.6
278.05386	2.6
279.06497	5.3
280.06918	0.5
281.04419	11.3
284.03284	2.1
291.10068	1.7
294.05264	1.2
295.05981	46.2
296.06268	2.6
305.01236	0.7
305.04437	8.9
306.05188	1.1
323.05460	100.0
323.12912	2.5
324.05780	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	323.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.2
69.75795	0.9
89.03909	0.4
93.95951	0.3
98.23406	0.5
106.06801	0.3
115.05450	0.4
120.15678	0.4
120.99038	0.4
135.45995	0.4
137.02357	1.2
141.06953	1.4
145.02847	0.5
152.06198	1.3
153.07019	0.8
155.08530	0.9
165.06985	19.6
166.07521	0.8
167.08553	0.6
168.05678	0.5
169.06493	2.1
169.77760	0.4
171.04384	0.5
174.03079	0.6
175.05292	0.5
176.06186	4.8
176.07581	0.7
176.42238	0.4
177.05502	0.7
177.06966	5.6
179.04874	0.5
181.06450	1.5
183.08012	0.9
186.02986	0.5
187.03920	0.5
192.05721	0.5
193.06468	11.8
194.07079	1.1
195.08040	1.5
196.05214	1.3
197.06010	3.9
203.04887	0.9
205.06454	9.1
206.06850	0.4
207.04425	0.4
209.06049	0.5
210.06674	0.5
211.07536	8.3
213.01799	1.4
213.05319	0.5
215.23631	0.4
220.05104	0.7
221.05951	31.2
222.06474	1.7
223.07509	3.3
224.04715	0.9
225.05412	4.4
227.03375	0.6
231.04439	0.9
231.07996	0.5
232.05074	0.4
233.05954	5.7
234.06596	1.1
237.05421	0.8
238.06282	0.6
239.07007	12.8
249.05446	34.1
250.06090	4.0
251.07043	3.3
252.04166	7.9
253.04932	5.4
259.03946	0.8
261.05371	1.1
262.06122	0.8
266.05640	2.3
267.06491	22.0
268.06815	1.3
277.04932	26.2
278.05609	2.8
279.06528	5.7
281.01404	0.8
281.04419	12.9
282.04898	0.8
284.03207	2.3
291.10077	0.9
293.07880	0.5
294.05188	1.2
295.05984	47.0
296.06232	2.5
305.04428	8.4
306.05136	1.0
321.03970	0.6
323.05463	100.0
324.05774	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0548
Annotation	7,7'-Dihydroxy-3,8'-biscoumarin
Peak:m/z	Relative Intensity
52.80688	0.3
52.85601	0.3
55.01857	1.0
67.05506	0.5
68.99799	0.3
78.50572	0.3
81.07062	0.4
85.71732	0.3
91.05498	0.4
95.08553	0.3
105.03344	0.5
105.06999	0.4
107.04965	0.4
108.05260	0.3
115.05470	0.6
119.08626	0.3
121.02901	0.3
123.04438	0.4
131.08472	0.3
133.02812	0.9
137.02339	0.9
137.05974	0.7
137.54454	0.3
139.44757	0.3
141.06999	1.1
145.02824	1.2
147.04535	0.3
149.05887	0.4
151.03914	0.3
152.06200	0.5
153.07011	0.8
155.08536	0.7
157.02798	0.4
161.02315	0.5
161.05995	1.1
163.03886	1.1
164.06238	0.4
165.06992	15.4
166.07404	0.6
167.07019	0.4
167.08493	0.5
168.05659	0.4
169.06473	1.2
171.03137	0.4
174.03075	0.3
175.05406	0.7
176.06183	2.1
177.05472	2.1
177.06996	2.9
178.05806	0.6
181.06496	0.9
183.07974	1.4
192.05789	0.5
193.04713	0.6
193.06467	11.4
194.06984	0.6
195.08058	0.8
197.05981	2.5
199.07515	0.6
202.07706	0.7
203.04921	1.4
203.08542	1.3
205.06447	5.2
210.06686	0.6
211.07518	4.4
219.07953	0.5
220.05243	0.5
220.08884	0.8
221.05949	30.5
222.06300	1.4
223.07565	1.7
224.04784	0.6
225.05478	2.6
231.04443	1.0
231.07982	1.9
232.08896	0.3
233.05945	3.3
234.06818	0.4
237.05374	0.6
238.06223	0.4
239.06987	9.0
239.09407	0.5
240.07658	0.4
247.07701	0.4
248.08379	2.1
249.05441	37.0
250.06053	3.6
251.07001	1.8
252.04111	1.3
253.04938	2.2
259.03897	1.2
259.07504	1.0
260.08228	0.6
261.05444	1.4
263.10733	1.9
265.05057	0.3
265.08615	0.7
266.05679	1.9
267.06479	12.8
268.06927	0.6
276.07697	1.4
277.04932	25.4
278.05389	2.3
279.06497	5.4
281.04443	3.0
282.04861	0.4
284.03275	0.8
291.10114	5.6
292.10654	0.4
293.08090	1.2
294.05203	0.8
295.05975	44.7
296.06375	2.1
305.04422	7.6
305.07541	0.2
305.22342	0.4
306.05014	0.4
308.10376	0.7
322.21182	1.1
323.05457	100.0
323.12375	6.5
323.23206	0.9
324.05786	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	323.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
71.64970	0.4
72.08157	0.6
89.03931	0.5
121.77222	0.4
137.02324	1.1
141.07016	0.6
141.63248	0.4
145.02831	2.0
145.10063	0.5
152.06203	0.8
153.07002	1.1
155.08575	1.0
163.04012	0.5
165.06989	19.4
166.07358	0.7
168.05659	0.5
169.06465	0.9
174.03067	1.0
176.06219	2.8
177.05481	2.1
177.07013	5.2
178.07768	1.8
179.08565	1.2
181.06387	0.8
183.08031	0.8
187.03868	0.5
189.06996	0.7
191.08556	0.6
193.06479	11.8
194.06973	0.5
195.08064	1.1
196.05209	0.8
197.05928	2.1
203.04962	1.2
203.08603	0.8
205.06487	9.9
210.06725	0.7
211.07527	5.7
213.01678	0.7
219.08028	0.7
221.05962	28.5
222.06465	1.9
223.07536	2.5
224.04555	0.7
225.05460	3.3
231.08029	0.9
233.05942	5.5
234.06644	1.0
235.07474	4.2
238.06262	0.6
239.07030	9.3
247.07576	1.6
248.08217	0.9
249.05461	32.4
250.06094	2.9
251.07039	3.7
252.04169	3.8
253.04950	3.7
259.03809	1.0
261.05539	2.0
261.08966	0.6
263.07059	2.6
264.07819	2.5
265.05020	0.5
266.05722	2.3
267.06516	17.4
268.06726	0.7
277.04962	22.5
278.05569	2.2
279.06561	5.0
279.09448	0.8
281.04361	7.0
282.04980	0.5
284.03204	1.7
291.06516	1.9
291.10172	2.5
294.05255	0.8
295.05981	41.1
296.06329	2.2
305.04434	7.2
305.08026	1.9
322.21304	0.6
323.05496	100.0
323.09021	8.6
323.13028	2.6
324.05811	5.8
324.09256	0.8
331.76648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0549
Annotation	Pongamone D
Peak:m/z	Relative Intensity
51.02383	0.6
55.01867	0.7
60.98283	0.3
61.21514	0.3
63.02378	0.4
65.03925	0.5
66.46027	0.3
67.05487	1.0
69.03426	0.5
69.07061	0.7
70.58900	0.3
77.03926	1.2
79.05475	0.4
81.03402	0.8
81.07045	1.4
82.22388	0.4
88.16348	0.3
89.03902	3.4
91.05477	0.5
93.07037	0.4
95.04965	1.2
95.08553	0.4
98.22601	0.5
101.03880	0.5
105.03381	8.3
105.04504	0.4
107.04928	0.6
109.02856	1.1
109.10174	0.3
111.08060	0.4
117.03360	3.6
119.04942	0.5
121.02851	6.9
122.03624	1.5
123.04423	10.7
131.04941	0.3
132.02034	0.4
133.02838	29.9
134.03642	7.2
135.04405	2.2
135.11682	0.5
137.02325	1.7
139.05482	0.3
141.06995	1.5
145.02815	4.3
146.03592	0.6
147.04370	3.0
149.02325	5.4
150.03110	2.9
151.03906	3.3
152.06235	0.4
153.07001	0.7
155.08591	0.9
157.02798	0.6
157.04012	0.5
161.02319	21.7
162.03105	27.0
163.03886	47.8
164.04248	1.5
164.06197	0.4
165.06979	17.1
166.07393	0.6
169.06410	1.7
173.02333	5.5
176.06177	0.8
177.01901	1.9
177.06979	0.7
178.02628	0.4
183.08060	1.3
186.03134	1.2
187.03848	1.2
189.01724	0.4
193.06461	10.3
194.06989	0.6
197.05983	3.0
203.04877	0.4
205.06430	1.9
206.14549	0.3
211.07507	4.0
220.05196	0.7
221.05946	22.2
222.06456	1.4
224.04668	0.6
225.05434	9.0
233.05894	0.8
237.05457	0.4
238.06331	0.4
239.06995	5.8
249.05457	17.2
250.06146	3.5
252.04117	0.4
253.04907	3.8
265.04932	0.4
266.05807	2.0
267.06494	5.9
268.07025	0.5
277.04910	7.8
277.07861	0.5
278.05676	1.2
279.06781	0.4
281.04486	0.6
291.10141	0.6
294.05222	0.7
295.05975	37.4
296.06265	2.0
305.04364	2.4
322.25797	0.9
323.05457	100.0
323.26068	0.7
324.05777	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	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40029	1.3
55.65077	1.0
85.02885	1.2
98.97550	1.3
116.98622	1.3
120.11292	1.0
147.92030	1.5
161.02090	14.6
180.97781	1.6
185.04198	69.7
198.98856	2.7
285.60846	1.2
323.07358	100.0
324.07574	6.1
344.99771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38603	4.4
52.66572	4.1
62.09051	4.7
70.64409	8.9
94.93031	7.8
98.97568	5.9
112.89607	17.5
126.22353	4.7
161.02998	9.7
173.02957	5.7
201.94119	4.3
203.03911	5.0
208.05835	4.7
230.92365	7.1
248.89589	15.0
249.31458	5.6
323.07367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63474	1.8
80.27200	0.5
80.43253	0.5
84.08114	1.8
98.22731	0.9
104.46754	0.6
116.98557	0.7
120.84665	0.6
165.06943	0.9
198.98932	1.4
221.06035	1.7
237.92720	0.6
249.05502	1.8
277.04968	1.0
295.05942	1.9
307.40790	0.8
323.05545	3.6
323.10965	100.0
324.11331	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	323.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82079	0.5
61.66919	0.6
66.94184	0.6
69.55956	2.7
72.81686	0.6
84.08131	2.7
85.02905	0.7
98.22810	0.9
121.06560	0.7
145.02849	1.0
147.04385	0.9
165.06987	1.1
177.05493	2.1
177.78712	0.6
180.97740	0.6
193.06543	0.8
203.08170	0.7
221.05984	2.5
249.05418	3.1
258.55655	0.6
263.10303	1.5
267.06384	0.8
277.04959	2.1
291.09473	1.0
295.05911	2.3
323.05560	4.1
323.10959	100.0
324.10995	8.5
324.14905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
79.05486	1.9
81.06998	1.2
91.05469	1.9
92.24204	0.8
103.05470	2.7
105.07024	12.0
107.05006	1.1
115.05440	4.0
122.03638	2.3
122.22660	0.8
131.04887	1.9
133.06499	7.1
137.05960	16.3
143.08669	0.8
146.03630	6.1
149.05939	1.5
152.43350	0.8
157.28983	0.8
161.05966	76.5
162.06348	2.6
165.06999	3.5
167.04793	1.1
175.07541	1.3
177.05486	1.4
177.06999	1.5
178.07729	0.8
181.06416	0.9
184.05188	1.7
191.08595	3.4
192.09401	2.5
193.06456	1.2
199.07495	5.3
202.07738	19.5
202.19681	0.8
203.08531	29.5
204.09195	2.2
205.06435	4.8
206.07011	1.0
213.06975	1.3
215.08498	1.6
217.06551	0.8
217.10170	1.0
219.08020	9.4
220.05325	0.8
220.08786	12.0
221.06009	5.1
229.06523	1.1
230.07245	4.6
231.08018	53.7
232.08690	8.4
233.06020	1.5
234.06586	1.1
235.11227	1.6
237.09140	1.9
239.07013	1.9
241.06395	1.1
243.07967	1.5
245.09576	2.1
247.07495	7.8
248.08296	24.9
249.05435	4.0
249.08990	3.5
258.06769	3.6
259.07520	42.9
260.08286	32.7
261.08932	2.8
262.09857	1.8
263.07367	1.0
263.10651	20.5
264.10892	1.1
265.08545	3.3
267.06482	3.2
273.08911	1.5
275.06955	5.2
276.07797	22.2
277.04938	4.0
277.08517	4.8
280.10913	1.5
281.04364	2.0
290.09393	0.9
291.10123	100.0
292.10635	8.6
293.08093	4.1
295.06042	6.2
295.13235	1.9
308.10501	4.3
323.05557	13.3
323.12741	78.8
324.13126	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	323.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04415	4.7
55.01848	7.7
55.05518	5.9
59.01244	4.8
64.25358	4.9
65.03912	5.9
67.05509	12.4
69.03432	18.2
69.35251	19.1
71.04977	5.0
77.03951	5.3
79.05498	39.6
81.03411	7.0
81.07051	21.7
83.04963	15.5
91.05462	61.6
93.07030	29.0
95.04956	40.3
95.08589	10.7
97.06512	13.3
105.07014	67.6
107.04945	44.5
107.08579	34.5
109.02858	16.6
109.06512	39.3
115.05462	15.4
116.06216	11.2
117.07001	38.8
119.04942	10.9
119.08579	29.9
121.06499	22.5
123.04433	14.1
123.08035	5.8
128.06218	23.7
129.07013	32.3
131.08562	100.0
132.08904	6.1
133.06473	20.2
133.10117	17.7
135.04454	5.8
135.08038	82.7
141.07004	16.3
142.07742	19.6
143.08553	81.1
144.05652	5.8
145.06445	33.0
145.10104	26.5
146.38747	5.1
147.08008	36.1
147.11662	14.8
149.05940	8.9
149.09615	15.6
155.06039	5.2
155.08507	13.4
156.09366	28.3
157.10135	21.7
159.08043	60.4
159.11690	19.5
161.06006	18.2
161.09612	18.7
161.13246	14.9
163.07513	35.9
166.07782	12.1
170.07210	6.8
171.08070	16.0
171.11668	48.9
173.09627	16.5
175.07564	10.7
175.11168	12.4
177.09071	31.3
181.08662	11.5
181.10152	19.9
184.08713	8.2
185.09497	7.6
187.07567	27.5
187.11147	10.1
189.09100	9.9
189.12698	20.1
191.10716	8.9
193.08534	6.1
199.11130	57.4
201.09012	12.1
203.10646	8.1
205.08618	24.4
212.08427	8.9
217.12186	40.4
219.10109	14.8
227.10732	30.0
245.11769	61.5
263.12775	80.7
278.70105	5.2
323.14902	12.5
323.18365	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30891	2.4
55.05502	5.1
57.03432	9.1
57.07083	2.1
59.04982	2.7
59.35876	2.0
65.03928	2.1
67.05503	10.1
69.03423	4.6
69.07057	2.9
69.19524	8.8
69.19934	5.1
70.58747	2.1
71.04990	6.1
75.78017	2.1
79.05469	11.2
81.07053	20.4
83.04984	5.7
85.02914	2.5
85.06528	27.1
85.39066	2.1
90.10739	2.2
91.05460	20.6
93.07042	9.8
95.04954	12.5
95.08607	5.6
95.35406	1.9
98.97598	3.3
99.04459	2.6
103.05448	2.3
105.07019	44.2
107.04951	4.7
107.08587	10.6
109.06507	3.7
115.05431	5.7
117.07009	15.7
119.08562	24.2
121.06502	9.0
121.10154	4.8
125.06039	2.9
126.56428	2.0
128.06232	9.8
129.07008	19.8
130.07797	4.1
131.04895	3.8
131.08540	26.9
133.06467	7.9
133.10124	9.5
135.08047	11.4
137.05937	3.6
137.09535	2.4
141.06953	3.4
142.07785	7.7
143.08554	46.8
144.09189	2.7
145.06506	7.7
145.10101	49.3
146.07297	2.8
146.10434	2.4
147.08011	25.8
147.11702	8.8
149.09592	8.0
151.07564	4.6
155.08521	13.5
156.09328	4.2
157.06589	2.7
157.10127	24.1
158.07214	2.6
158.40306	2.7
159.08055	2.6
159.11685	21.3
161.09605	22.1
161.13266	7.4
163.07477	2.8
165.06999	4.3
165.09076	6.0
169.10185	5.6
170.10907	5.2
171.08034	7.4
171.11726	11.0
173.09615	30.8
173.13234	2.7
175.11224	2.9
175.14853	3.9
177.09042	11.7
180.09320	3.1
183.11694	3.4
184.08711	2.3
185.09621	5.1
185.13219	29.5
187.11176	6.6
189.09146	4.5
189.12700	6.0
191.10640	13.5
195.11685	9.1
201.09155	2.4
201.12755	4.2
203.14275	13.3
213.12740	27.9
231.13777	100.0
232.14069	3.9
249.14812	10.6
292.14520	2.7
305.17410	5.8
323.16132	9.3
323.18857	8.8
329.57846	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22600	5.5
55.05505	12.1
57.03432	21.4
67.05485	9.6
69.07056	7.7
79.05491	22.8
81.07057	18.8
83.04979	13.0
85.06547	6.6
86.41225	5.2
91.05463	27.5
93.07037	26.0
95.04961	51.9
95.08585	15.6
97.06526	7.2
98.97571	12.2
105.07024	49.7
107.08562	31.8
109.06530	15.6
111.08093	8.1
117.06976	12.4
119.08582	44.7
121.06503	8.1
121.10138	18.3
123.08038	14.2
128.06177	5.7
129.07018	9.5
131.08562	25.1
131.63728	5.3
133.06487	10.3
133.10075	36.7
135.08061	12.0
135.11699	9.4
142.07787	14.0
143.08543	28.1
145.10115	100.0
147.08040	14.9
147.11710	13.4
149.09595	16.5
155.08543	10.7
156.09319	10.9
157.10104	22.9
158.07271	7.9
159.11678	13.4
161.09648	23.6
163.11179	30.0
164.92015	6.1
169.92355	6.0
171.11607	11.3
173.09578	38.6
175.11246	10.6
175.14799	33.5
185.13260	16.3
191.10681	20.4
195.11667	7.7
203.14334	42.3
207.13676	7.3
213.12738	25.3
214.13005	6.2
231.13742	64.5
231.15797	11.1
249.14865	18.4
258.99710	8.8
270.30185	6.2
277.00922	8.2
323.18097	8.6
323.21680	7.7
324.28592	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	323.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41019	0.5
70.03685	1.5
70.04028	0.8
70.17323	0.6
95.08543	0.5
95.47268	0.5
130.95114	0.5
171.78172	0.6
179.14297	0.8
254.87166	0.6
323.19775	100.0
324.20062	6.1
341.20578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36824	7.8
53.34375	7.2
55.05516	40.6
57.07067	15.0
62.06083	6.8
67.05499	34.1
69.07074	45.5
71.42921	7.6
73.06560	7.5
73.74374	8.2
79.05477	24.8
81.07053	76.0
81.07535	11.9
83.04970	13.3
83.08612	17.1
91.05476	31.1
93.07025	58.6
94.07360	7.0
95.04932	7.8
95.08603	54.8
97.10146	16.4
98.97609	11.6
101.06013	42.6
105.07037	11.9
107.08586	82.0
109.10144	68.8
121.10113	42.5
123.11667	38.8
132.79533	8.1
135.11678	45.8
149.13266	100.0
163.14827	17.5
205.19495	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87259	0.4
57.03435	0.4
61.02918	0.9
69.03415	1.6
70.54244	0.4
81.03407	0.8
85.02895	2.6
87.04479	0.6
91.03903	0.4
97.02881	1.4
98.23483	1.0
106.56400	0.4
109.02814	0.4
118.00564	0.8
139.42551	0.5
161.99516	100.0
162.99866	1.4
182.15186	0.5
201.01614	2.0
269.00195	0.4
303.60297	0.4
307.13071	0.4
324.04758	12.6
325.71960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2167
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05500	1.7
67.05492	3.8
69.07061	11.3
69.88430	1.7
69.88766	1.3
79.05491	3.8
81.07043	7.5
83.04984	2.9
86.09699	100.0
87.10034	1.2
91.05476	8.5
93.07027	10.5
95.04979	2.6
95.08597	2.4
105.07027	12.7
107.08588	2.8
109.06512	8.9
109.10135	1.8
111.08079	3.0
117.06995	1.5
119.08581	5.1
121.10172	1.3
123.08063	1.1
127.16723	0.8
128.10690	5.7
131.08563	2.9
132.10190	28.2
133.06471	0.9
133.10110	18.1
137.05952	0.9
147.11673	13.2
149.09663	1.1
149.13245	1.1
151.07578	2.2
151.11165	38.0
152.11516	1.6
156.10127	1.4
165.12741	1.2
175.11166	3.7
179.08556	1.0
193.12181	4.1
202.07814	1.2
203.08554	2.3
204.09343	10.0
206.07372	1.2
210.14786	1.1
217.10086	1.2
219.08202	1.0
219.11656	16.0
222.14822	1.1
224.08351	2.7
229.10153	2.2
232.08844	5.7
237.09045	0.9
247.11143	17.6
250.09892	2.0
260.19992	4.2
265.12210	44.4
278.21127	20.4
279.10370	0.9
279.21396	1.6
282.12497	1.7
289.71548	0.9
297.14771	1.8
306.20663	3.6
324.21594	11.6
325.14282	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	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03947	2.1
55.01854	0.6
55.05500	0.5
57.03432	1.4
63.02363	0.5
65.03932	0.3
69.03423	6.2
71.04977	1.0
71.42012	0.5
73.02902	0.7
73.53749	0.2
76.06524	0.2
77.03940	0.3
78.74986	0.2
79.05507	1.4
81.03409	21.9
81.07009	0.5
82.03718	0.3
83.04984	0.3
85.02397	0.4
85.02895	5.4
86.03210	0.2
89.03907	8.9
91.05450	0.7
95.04932	0.7
97.02887	1.3
99.04455	2.0
100.11237	0.6
107.04942	2.1
109.02866	7.8
115.46041	0.2
117.03368	10.9
117.04202	0.6
118.03714	0.3
119.04916	0.3
123.04391	0.6
127.03917	1.7
127.04826	0.3
131.04962	0.6
135.04399	21.3
136.04716	0.6
137.05975	1.0
139.39702	0.3
139.55368	0.2
140.04660	0.4
145.02832	14.9
145.03818	0.5
146.03186	0.3
151.07544	0.6
163.03883	100.0
164.04207	3.4
175.07535	0.4
181.04942	5.2
181.06421	0.5
191.08208	0.3
210.14677	0.3
243.52327	0.2
266.25327	0.3
279.06360	0.5
307.08090	16.2
308.08411	0.6
325.09225	1.4
325.14075	0.6
326.27957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0914
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03939	2.1
53.39193	0.6
55.01878	1.5
55.05492	0.8
56.10198	0.8
57.03422	1.8
57.07077	0.8
66.25974	0.6
69.03111	0.8
69.03429	7.5
69.43156	3.1
71.04977	2.1
74.33204	0.6
79.05473	2.4
81.02967	1.2
81.03414	18.5
81.07065	0.8
83.04970	1.0
83.08627	0.7
85.02898	7.3
89.03906	9.2
89.06020	0.9
91.05479	1.5
95.04938	0.8
97.02887	2.2
99.04448	2.8
101.09623	0.7
107.04945	2.9
107.07049	1.6
109.02872	6.2
113.09663	0.9
114.09170	0.9
117.03362	10.5
123.04343	0.8
127.03918	2.4
135.04405	22.4
137.02368	0.8
137.06000	1.8
140.04692	1.0
145.02827	14.0
145.12224	2.2
146.12532	1.4
160.07805	0.6
163.03886	100.0
163.13228	0.9
164.04253	3.6
181.04941	7.5
183.46115	0.7
209.07997	0.8
209.25372	0.6
221.06006	0.7
265.64273	0.6
279.06326	0.7
281.18521	1.0
307.08078	11.1
308.08484	0.7
325.09207	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03939	1.3
55.01873	0.4
57.03429	0.8
59.32193	0.3
69.03065	0.4
69.03423	5.1
69.12069	1.0
69.12496	0.9
71.04973	0.8
73.02891	0.7
74.11911	0.2
79.05480	1.0
81.03409	15.5
81.30475	0.3
85.02892	6.1
86.68233	0.3
89.03375	0.5
89.03904	6.5
97.02882	0.9
99.04449	2.1
107.04965	2.1
109.02170	0.6
109.02872	6.4
117.03365	9.8
127.03901	1.6
135.04404	18.7
136.04770	0.6
145.02840	14.0
146.03117	0.4
152.11617	0.2
163.03886	100.0
164.04207	2.7
181.04926	2.9
195.50687	0.3
264.04156	0.4
265.07037	0.6
279.06464	0.8
297.07639	0.4
301.14499	0.3
307.08105	15.8
325.06467	0.4
325.09494	0.6
325.12650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
57.03429	1.2
58.68636	0.4
63.02366	0.5
65.35997	0.4
69.03425	7.7
70.19579	0.8
70.19905	0.4
71.04976	0.9
77.16959	0.5
79.05476	1.2
81.03411	21.9
82.03741	0.4
85.02898	5.8
85.91650	0.4
89.03376	0.6
89.03903	7.6
97.02859	1.7
99.04451	2.0
107.04937	2.1
109.02864	7.3
117.03372	9.7
117.79259	0.3
127.03894	1.5
135.04402	20.1
136.04727	0.5
145.02832	15.6
163.03888	100.0
164.04216	3.1
173.07114	1.1
181.04941	8.0
182.17181	0.4
191.08171	5.1
307.08084	13.5
307.12799	1.5
325.09262	2.7
325.13782	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01862	0.5
57.03437	0.6
69.03424	4.5
69.33567	1.2
71.04983	0.8
73.02909	0.3
79.05482	1.5
81.03414	13.8
85.02898	4.3
89.03911	6.8
95.04984	0.4
95.69639	0.3
97.02881	1.1
99.04443	1.3
107.04936	1.8
109.02183	0.4
109.02868	5.2
117.03374	9.4
117.09042	0.4
119.04948	0.5
123.04528	0.3
127.03896	1.8
135.04408	17.8
135.62971	0.3
136.04732	0.4
145.02843	14.1
146.03217	0.3
147.04395	0.6
150.26654	0.3
163.03891	100.0
164.04239	2.6
181.04956	2.8
265.07208	0.3
307.08105	10.0
308.08743	0.3
325.09079	1.1
325.12628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.67198	0.4
53.03929	1.6
55.01836	0.5
56.36066	0.4
57.03424	0.6
63.02405	0.3
69.03428	6.0
69.70490	1.4
71.04955	0.7
73.02869	0.5
79.05483	0.9
81.03410	16.8
85.02898	4.8
89.03905	5.4
91.05424	0.5
97.02850	0.9
99.04440	1.4
107.04935	1.7
109.02872	6.8
117.03359	8.1
127.03880	2.2
131.05038	0.4
135.04396	14.7
136.89856	0.4
137.05992	1.4
145.02835	12.3
145.73070	0.4
156.20279	0.4
163.03885	100.0
164.04202	3.5
181.04945	3.3
191.64037	0.4
307.08096	14.4
308.08612	0.8
325.09174	1.4
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	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.79535	0.3
55.01865	0.5
55.05506	0.6
57.03419	0.6
61.02919	0.5
63.02375	0.4
65.03951	0.4
67.05479	0.5
69.03066	0.4
69.03423	8.0
69.48617	0.9
69.80826	0.2
71.04983	0.9
79.05485	1.6
81.03413	8.4
81.07049	0.5
83.04960	0.7
85.02893	3.3
89.03910	7.4
91.05471	1.0
94.04145	0.6
95.04964	1.0
97.02882	3.0
99.04457	1.7
103.05450	0.8
107.04951	2.3
109.02873	3.7
111.04416	0.7
117.03365	8.9
119.04903	0.3
122.03627	0.6
123.04385	0.3
127.03924	3.0
131.04933	0.9
135.04404	17.5
136.04886	0.4
137.05963	10.1
141.06995	0.5
145.02834	12.2
151.07513	2.7
163.03889	100.0
163.07483	2.2
164.04228	2.7
169.06529	0.4
175.07535	1.1
181.04948	3.4
187.07642	0.6
201.09081	1.5
205.06412	0.4
233.09776	0.4
261.09091	0.3
279.06448	0.6
293.08163	0.4
293.11557	0.7
307.04834	0.4
307.08112	5.6
325.06323	0.6
325.09616	0.7
325.14099	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
53.62042	0.2
57.03412	0.4
61.02916	0.6
63.02365	0.5
69.03065	0.3
69.03423	4.4
71.04984	0.4
72.53533	0.2
79.05481	1.0
81.03413	6.6
85.02895	3.0
89.03909	5.6
91.05463	0.3
95.04956	0.3
95.08571	0.5
97.02878	1.7
99.04433	0.8
107.00642	0.2
107.04951	2.3
109.02864	3.0
117.03374	9.8
117.04204	0.6
127.03896	1.6
135.04408	17.0
136.04659	0.3
137.05988	1.1
145.02831	12.5
146.03177	0.3
147.04391	0.3
147.08040	0.4
148.87196	0.2
163.03888	100.0
164.04219	3.0
164.80696	0.2
169.06490	0.2
175.07523	1.1
181.04987	1.9
212.69751	0.3
249.05688	0.2
306.22452	0.3
307.08060	4.9
308.08020	0.3
324.23801	0.5
325.09131	1.7
325.13708	0.5
336.01547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54704	0.2
53.03934	0.9
55.01843	0.5
55.97857	0.2
57.03425	1.0
61.02912	0.5
64.85334	0.3
66.37417	0.2
69.03425	4.6
69.69746	1.1
71.04977	0.6
72.29401	0.2
73.02924	0.6
79.05486	1.2
81.03413	13.2
81.07059	0.6
85.02901	4.9
89.03903	5.4
97.02889	1.5
98.22757	0.6
99.04454	1.9
99.08080	0.6
107.04946	1.6
109.02877	5.1
109.06519	0.5
117.03375	6.8
117.09116	1.7
127.03899	2.2
127.07528	0.8
135.04408	16.2
136.04752	0.5
145.02834	11.1
147.04350	0.3
163.03889	100.0
164.04225	2.7
181.04921	2.9
201.72415	0.3
265.06796	0.3
302.79739	0.3
307.08115	10.8
308.08463	0.5
325.08975	1.2
325.12628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01865	0.9
57.03424	1.3
57.24787	0.4
61.02924	0.6
61.66721	0.4
69.03429	5.6
70.79784	0.5
71.04984	1.3
73.02912	0.6
79.05499	1.6
81.03411	21.0
82.03744	0.5
85.02892	5.0
85.83718	0.4
88.46278	0.4
89.03912	8.0
95.04964	1.0
95.08596	0.4
97.02879	1.3
99.04430	2.5
105.07041	0.4
107.04955	2.1
107.08625	0.6
109.02878	6.8
117.02557	0.8
117.03372	10.6
125.99660	0.4
127.03866	2.1
135.04408	20.2
137.02328	0.7
137.05954	1.7
145.02844	14.0
163.03889	100.0
164.04198	2.7
181.04941	5.4
191.08150	0.5
205.06369	0.5
250.06271	0.4
265.07028	0.5
268.02997	0.5
293.10934	0.6
297.11166	0.4
307.04834	0.8
307.08127	14.3
308.08401	0.6
325.09634	2.1
325.13828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01617	0.3
69.90980	0.4
69.91328	0.7
96.03827	0.3
99.50224	0.3
100.61610	0.3
155.04900	1.3
156.88228	0.3
165.06978	1.3
174.13347	0.3
178.07779	0.6
189.06949	1.7
190.07764	6.8
191.08534	34.9
192.08925	1.5
193.10013	0.5
195.08015	0.7
201.07054	0.7
202.07700	0.8
209.05952	0.4
218.07321	1.0
219.08025	47.7
220.08424	2.8
221.09644	1.4
222.06821	0.5
223.07645	0.4
229.07477	0.7
235.11026	0.4
237.09058	1.5
247.07510	100.0
248.07886	5.7
249.09108	1.1
261.08972	0.4
263.10730	0.3
265.08575	21.1
266.09100	1.0
267.10168	2.1
275.06924	0.6
279.10065	0.8
279.13004	0.3
293.08096	0.5
297.11084	0.6
307.09616	0.5
324.28690	14.5
325.10593	2.1
325.14261	0.7
325.17871	0.7
325.28964	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.107
Annotation	Moracin L
Peak:m/z	Relative Intensity
59.04985	0.4
59.68516	0.3
69.06383	0.3
69.07065	0.4
69.61773	0.9
83.04982	0.5
84.57656	0.3
96.31818	0.3
98.23443	0.6
143.04987	0.4
152.06192	0.5
153.06979	1.2
154.04349	0.3
155.04929	1.2
155.08525	0.5
165.06969	3.1
166.07736	1.0
167.08563	1.9
169.06451	0.4
171.04362	0.4
171.08109	0.6
173.09698	0.3
174.81096	0.3
177.07001	0.4
178.07782	2.9
179.08507	2.0
180.09332	1.6
181.10124	0.9
182.10852	0.8
183.04419	1.8
183.08043	1.6
190.07712	1.1
191.08525	1.6
192.09293	4.4
193.06464	0.4
193.10027	1.1
194.07182	0.4
195.08018	2.0
195.11673	2.3
197.05968	1.1
201.05455	1.6
201.07326	0.3
201.09055	1.7
202.07669	0.5
205.10158	0.8
207.08075	0.5
207.11618	3.0
208.08861	1.5
209.09567	0.9
210.10368	1.2
211.03885	14.2
211.07239	0.6
211.11028	0.4
212.04128	0.5
217.10132	0.4
218.07385	0.4
219.08058	0.9
220.08865	0.7
221.06046	0.7
221.09435	0.5
222.06744	0.7
223.07600	3.0
223.11087	2.2
224.08177	1.0
225.05377	0.4
229.08543	0.6
233.06012	0.6
233.09581	2.9
234.06781	3.6
235.07544	3.1
235.11113	1.6
236.08215	2.5
237.05367	0.7
237.09111	1.1
238.06201	0.6
238.09869	3.4
239.07005	0.7
239.10640	2.8
245.09488	0.3
248.08273	3.2
249.08977	0.7
250.06245	0.4
251.07011	4.6
251.10667	10.3
252.07616	0.4
252.11159	0.8
253.12239	0.8
254.09296	0.6
255.02939	0.4
261.09180	0.6
262.09845	0.4
263.10657	13.6
264.07971	0.7
264.10928	0.8
265.08533	1.3
265.11551	0.3
266.09366	3.4
267.06519	1.7
269.11661	1.6
277.04987	1.8
279.06580	0.5
279.10104	1.3
281.11710	22.4
282.11945	0.8
289.08502	0.7
295.05984	0.9
295.09412	0.5
297.11295	1.0
307.09647	6.1
310.08429	0.7
325.10666	100.0
326.11035	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	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
54.11329	0.3
54.23147	0.3
55.01871	2.3
57.03431	2.7
61.02904	0.7
69.03422	15.9
69.21093	1.8
71.01336	1.0
71.04641	0.5
71.04990	5.2
73.02897	1.1
80.88091	0.3
81.03407	18.4
82.03757	0.5
85.02888	0.4
89.03883	1.2
91.05462	0.6
97.02905	0.4
97.43849	0.3
99.04436	6.8
107.04921	0.4
109.02856	0.7
116.04970	0.6
117.03352	1.1
117.05460	1.4
118.06525	5.1
135.04391	2.6
143.80673	0.4
145.02824	2.0
145.07607	6.7
147.09143	7.3
161.55144	0.4
162.07855	1.3
163.03888	13.3
163.08643	1.2
164.04182	0.6
173.07083	10.7
173.08517	0.6
175.08643	6.7
176.09151	0.4
177.10114	0.3
178.05788	0.6
181.04958	0.8
187.08626	0.6
191.08127	100.0
192.08455	3.5
203.08160	0.7
203.11890	0.3
213.10249	0.5
215.11784	0.6
231.11220	0.8
233.09238	1.1
259.10626	0.4
271.10696	0.6
289.11642	2.1
292.60962	0.3
307.08279	1.7
307.12833	28.2
308.13098	0.9
325.13895	19.0
326.14267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
54.11329	0.3
54.23147	0.3
55.01871	2.3
57.03431	2.7
61.02904	0.7
69.03422	15.9
69.21093	1.8
71.01336	1.0
71.04641	0.5
71.04990	5.2
73.02897	1.1
80.88091	0.3
81.03407	18.4
82.03757	0.5
85.02888	0.4
89.03883	1.2
91.05462	0.6
97.02905	0.4
97.43849	0.3
99.04436	6.8
107.04921	0.4
109.02856	0.7
116.04970	0.6
117.03352	1.1
117.05460	1.4
118.06525	5.1
135.04391	2.6
143.80673	0.4
145.02824	2.0
145.07607	6.7
147.09143	7.3
161.55144	0.4
162.07855	1.3
163.03888	13.3
163.08643	1.2
164.04182	0.6
173.07083	10.7
173.08517	0.6
175.08643	6.7
176.09151	0.4
177.10114	0.3
178.05788	0.6
181.04958	0.8
187.08626	0.6
191.08127	100.0
192.08455	3.5
203.08160	0.7
203.11890	0.3
213.10249	0.5
215.11784	0.6
231.11220	0.8
233.09238	1.1
259.10626	0.4
271.10696	0.6
289.11642	2.1
292.60962	0.3
307.08279	1.7
307.12833	28.2
308.13098	0.9
325.13895	19.0
326.14267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23316	0.3
55.05505	0.6
62.98246	0.4
67.05494	0.8
69.03429	0.4
69.07066	0.6
70.82030	0.5
79.05499	0.5
81.07052	0.8
89.78396	0.3
93.07005	0.7
101.78821	0.4
103.19463	0.4
105.12804	0.4
107.08626	0.4
131.08546	0.4
155.08502	0.6
159.10101	0.4
162.60202	0.4
163.03882	0.4
165.06963	0.6
167.08531	0.8
178.07829	0.8
179.08533	1.7
181.10037	0.5
189.07008	1.4
190.07787	1.2
191.08560	2.4
192.09250	0.6
194.10905	0.5
195.07994	1.5
196.08891	0.6
202.07753	2.0
203.08479	5.6
203.77969	0.3
204.09319	23.9
205.09831	1.4
206.07240	2.0
207.07956	0.9
208.08707	0.8
209.09427	0.4
209.13347	0.8
215.08426	0.5
217.10220	1.8
218.10844	1.1
219.08041	3.1
219.11661	31.0
220.08722	0.5
220.12004	2.3
221.09554	0.6
222.10240	0.5
223.07518	1.8
224.08316	5.3
227.08833	0.4
228.09346	2.0
229.10129	4.0
230.10387	0.6
231.08031	1.5
232.08810	13.4
233.09309	1.2
235.07562	0.5
235.11160	0.9
237.09106	2.6
237.12727	1.1
243.11699	1.1
245.09688	0.6
246.10364	0.9
247.11156	39.2
248.08405	0.8
248.11519	2.4
249.09387	0.4
250.09854	3.7
256.08792	1.7
257.10904	0.5
259.11292	0.5
261.12692	1.5
265.12201	100.0
266.12531	6.1
271.11200	1.0
289.12177	3.2
297.14810	1.6
307.13342	2.1
325.14096	2.9
342.26270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30936	0.7
54.72734	0.8
81.51654	0.7
165.07079	0.9
166.07823	0.9
167.08588	1.0
178.07932	1.0
179.08530	2.1
189.07007	1.4
190.07675	0.9
191.08575	2.3
193.10075	1.4
195.08134	2.0
202.07713	1.5
203.08533	5.2
204.09328	25.1
205.09871	2.4
206.07310	2.6
207.08156	1.4
207.11848	0.9
209.09586	0.8
217.10114	1.8
219.08383	4.7
219.11661	33.1
220.12119	2.2
223.07494	2.3
224.08357	5.6
228.09268	0.8
229.10005	4.9
231.07983	1.9
232.08795	14.7
233.09473	3.1
235.07605	1.7
235.11191	2.1
237.09067	2.1
237.12752	1.4
240.20369	0.8
247.11174	42.7
248.11603	2.4
250.09912	3.3
251.06987	1.9
251.10524	1.2
265.12216	100.0
266.12637	4.6
279.10080	1.0
293.11502	1.0
297.11273	1.0
297.14816	2.0
307.12897	0.8
325.10797	1.4
325.14291	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	325.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27045	2.7
56.96556	2.8
69.23235	8.4
69.23640	7.9
72.36894	3.0
124.64305	3.0
128.10246	2.6
155.08548	6.6
165.07060	7.1
165.09418	2.8
166.07681	3.7
167.08540	5.5
177.07011	9.0
178.07785	41.5
179.08531	32.0
180.09238	3.8
189.07042	3.9
190.07788	8.4
191.08569	9.9
192.09395	5.4
193.10107	78.7
194.10774	5.0
195.07991	21.1
196.08766	4.1
202.07849	3.9
203.08543	11.7
204.09337	28.0
205.06441	18.9
205.10118	35.3
206.07240	27.4
206.10893	4.7
207.08022	29.1
207.11629	3.8
208.08733	4.0
209.09587	8.4
215.08501	9.0
216.09221	4.1
217.10159	3.7
218.07208	6.2
219.08162	14.3
219.11629	27.1
220.08791	3.6
220.12482	15.7
221.06172	4.9
221.09579	100.0
221.12872	4.0
222.06712	9.4
222.10176	13.1
223.07452	30.7
223.10931	5.6
224.08311	11.4
226.34631	4.2
229.10124	9.4
230.10878	11.5
232.08725	15.4
233.05966	9.5
233.09587	38.9
234.10168	3.6
235.07460	3.8
235.11195	5.2
235.14825	4.6
236.04662	4.6
237.09052	29.3
237.12833	6.5
238.09828	8.0
241.08757	3.5
245.13275	7.1
247.07483	6.3
247.11159	40.8
248.11897	19.9
249.12752	13.8
250.06290	6.7
250.09935	3.8
251.07030	71.3
251.10655	12.9
252.07523	3.8
261.13034	3.2
263.10684	3.0
263.14294	7.8
265.08603	44.0
265.12219	87.5
266.12985	38.6
267.13400	5.1
275.10590	34.6
279.10202	5.3
279.13824	13.1
283.09677	19.2
289.12320	5.5
293.08423	6.1
293.11676	60.5
294.11884	3.3
307.13165	34.9
312.90509	3.5
325.14255	37.6
325.28497	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1434
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
55.05502	0.4
59.04992	0.5
59.25985	0.4
66.68302	0.3
69.18558	2.0
69.59456	0.4
128.06116	0.4
129.07005	0.4
141.06984	0.8
152.06210	0.9
153.06944	1.0
155.08521	1.4
165.07007	2.8
166.07777	1.4
167.08534	5.7
169.06483	0.6
169.10155	0.5
171.08003	0.6
176.27283	0.4
177.07014	0.6
178.07794	0.7
179.08498	4.1
180.09277	1.6
181.06487	0.8
181.10062	1.7
182.07271	0.7
183.08026	1.6
185.09633	0.7
189.06894	0.4
190.07715	0.5
191.08536	0.4
193.10124	1.4
194.07104	0.4
194.10895	2.7
195.08011	5.2
195.11690	2.2
196.08798	0.5
197.05934	2.3
199.07603	0.7
202.07703	0.4
203.08565	0.8
204.09372	2.1
205.10034	1.0
207.08009	2.2
207.11703	0.4
208.08839	1.4
209.06010	0.9
209.09583	0.6
209.13222	3.2
211.07547	2.6
211.11269	0.6
213.05443	0.6
219.08035	0.5
219.11635	2.9
221.09599	1.0
222.06943	1.9
222.10355	6.8
223.05273	0.7
223.07513	14.3
223.10936	3.5
224.07951	0.4
225.05339	0.5
225.09076	0.4
227.07019	1.2
232.08836	1.2
233.09663	1.8
235.07565	3.7
236.08307	3.4
237.05582	0.7
237.08957	1.4
237.12712	13.2
238.06154	0.5
238.13354	0.5
239.06963	1.7
239.10628	1.8
240.04211	0.5
247.11157	6.4
248.11487	0.5
249.09120	1.1
250.09915	4.3
251.06943	1.4
251.10670	15.1
252.07877	0.9
252.10941	0.7
254.13042	0.5
255.06496	3.4
265.12213	32.2
266.12726	3.5
267.10126	12.9
268.10593	0.4
269.08051	0.6
269.15320	2.3
275.10739	0.5
279.09732	0.5
281.15335	2.9
282.12415	1.0
293.11679	9.9
294.12137	1.1
297.14838	3.6
325.14297	100.0
326.14676	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64211	0.7
67.05481	1.1
70.07574	1.3
70.07887	0.9
71.41589	0.9
81.07024	0.7
93.04317	0.7
95.08591	0.8
134.11723	0.7
140.62767	0.7
149.52019	0.7
151.08536	0.8
155.08627	1.0
165.06989	3.0
165.12718	2.2
166.07764	1.6
167.08560	2.2
178.07762	3.4
179.08569	3.6
180.09338	1.4
181.06473	1.9
181.10042	0.9
189.06883	3.6
190.07748	3.3
191.08601	4.7
192.09355	1.4
193.10146	1.1
194.10846	1.0
195.08015	3.6
195.11722	1.0
196.08826	0.7
202.07768	3.6
203.08525	16.6
204.09332	33.5
205.06468	1.1
205.09927	2.2
206.07281	3.3
207.08000	1.8
208.08714	1.6
209.09579	1.0
209.13319	1.5
215.08638	1.0
217.10081	2.1
218.10934	1.0
219.08075	3.3
219.11671	35.9
220.12053	2.1
221.09435	0.7
222.10367	1.1
223.07532	2.5
224.08308	11.3
228.09241	1.6
229.10069	5.4
231.08102	2.4
232.08809	19.4
233.09453	2.0
235.07524	2.5
235.11276	0.8
237.09094	3.6
237.12840	1.5
246.10486	0.9
247.11180	39.7
248.11546	3.0
250.09875	13.9
257.10889	0.6
265.12225	100.0
266.12589	5.8
283.13391	1.4
307.22690	1.5
324.28799	1.2
325.14322	13.8
325.32288	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17736	0.4
57.03442	0.6
69.03404	0.7
70.02927	0.8
71.07142	0.5
71.42862	0.5
88.72924	0.4
96.24937	0.5
97.01426	0.7
98.97583	0.5
98.97853	0.5
98.98464	4.0
101.00880	5.3
110.01377	0.5
113.00887	0.9
114.01632	0.5
115.02418	0.8
117.04006	0.5
119.01915	8.6
122.97820	0.9
131.01897	2.2
134.99901	0.7
137.02957	1.1
137.52002	0.5
140.98834	1.2
142.03481	1.0
143.01897	1.1
148.52638	0.5
155.01878	2.2
157.03429	2.4
158.99902	7.0
160.00098	0.6
160.04527	2.2
161.02940	1.5
171.02489	4.3
173.02943	2.1
175.04512	0.8
177.00938	47.1
178.01070	3.9
182.99805	2.4
184.04564	1.1
185.02971	2.4
189.03558	8.7
194.04129	0.7
195.02351	1.5
199.97987	0.8
201.00946	8.2
202.01009	1.0
202.05602	1.5
203.04037	0.8
207.02368	0.8
212.05064	0.9
213.03560	7.6
215.02525	1.2
216.98871	0.9
217.04106	2.6
217.99017	1.9
218.03589	6.9
219.01993	88.1
220.02112	9.5
221.02277	0.6
224.02545	1.4
225.00999	1.8
225.03497	2.4
230.03624	0.5
231.04588	4.3
233.05168	2.4
234.99908	0.7
236.00157	2.5
236.99831	1.1
237.03395	0.9
241.99138	2.6
242.03592	12.1
242.98973	0.8
243.01871	8.1
243.04123	1.3
244.02151	1.5
254.05576	0.8
257.03577	4.9
259.00000	0.9
260.00107	6.3
260.04590	0.5
261.03030	82.6
262.03180	10.7
263.02960	0.5
265.99033	0.6
266.03476	6.5
267.03760	0.8
274.98868	0.7
277.01053	0.6
278.01147	3.4
279.00894	1.7
283.00064	1.3
284.00116	17.9
284.04626	100.0
284.99997	9.2
285.05072	10.6
301.01089	1.4
302.01169	24.2
302.05688	34.8
303.00873	11.6
303.05682	4.0
307.06323	0.6
310.48453	0.5
320.02109	1.1
326.01303	1.8
326.05667	4.6
327.01120	0.7
327.06613	5.3
344.02289	6.0
345.01929	2.0
345.07797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08775	0.8
53.03941	2.0
55.01862	3.2
55.63113	0.8
57.03434	2.0
61.02922	3.0
69.03426	16.7
70.70520	1.8
71.04980	1.4
73.02898	3.2
73.03291	0.9
73.22614	1.0
81.03413	9.3
85.02901	43.5
87.00828	22.5
97.02897	13.6
98.98460	100.0
99.04463	5.6
100.93032	0.9
105.01864	34.4
106.02184	1.0
109.02879	10.4
116.99506	2.0
119.85001	0.9
127.03907	30.4
145.02895	1.1
145.04961	11.2
159.02863	4.8
174.99199	11.8
177.05423	1.3
194.10281	1.8
195.09793	1.0
231.04984	8.3
249.06015	1.5
326.04837	1.2
338.63312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01859	1.7
57.03411	1.9
59.05055	0.7
60.58927	0.6
61.02920	2.4
61.42071	0.8
68.99812	0.7
69.03425	11.3
69.86703	0.6
71.04988	1.3
71.21452	0.8
73.02895	1.9
78.75711	0.6
81.03411	7.0
85.02898	32.2
87.00822	17.1
97.02882	9.9
98.98456	100.0
99.04451	3.3
105.01858	27.3
109.02872	7.9
114.02924	0.7
116.99494	2.5
127.03904	21.1
129.01804	1.1
145.04948	9.3
147.02875	0.9
159.02907	2.9
174.99207	10.8
194.10329	1.7
221.58714	0.6
231.04945	4.7
249.06020	1.9
251.00026	1.7
326.04675	0.9
327.10553	2.0
331.56891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43902	1.5
77.27730	1.4
98.98455	13.8
119.60528	1.4
133.73441	1.3
153.36943	1.3
171.43799	1.6
206.10907	4.9
207.08073	3.6
227.06920	1.8
234.10378	4.3
235.07451	3.2
242.09444	2.5
248.08278	2.1
249.12737	16.5
252.07761	6.5
253.08374	2.2
257.11740	6.0
262.09943	7.4
265.08633	2.2
266.09366	5.5
277.12180	22.7
280.10925	3.4
295.13272	100.0
295.16202	4.3
296.13663	5.0
326.18097	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0862
Annotation	Fluostatin B
Peak:m/z	Relative Intensity
55.01864	1.1
57.03424	0.3
60.14193	0.3
65.03944	0.6
66.04721	1.7
69.07064	0.4
69.10026	0.6
69.10424	2.0
75.04475	0.4
77.01575	0.3
77.03928	0.4
79.05492	1.3
80.02634	0.5
81.07059	0.9
89.03900	4.7
91.05479	4.1
93.84188	0.3
94.04184	3.9
95.04979	0.6
98.98459	100.0
105.03367	0.4
107.04947	1.4
109.06499	1.3
116.99496	2.7
117.03381	4.6
119.04935	3.1
121.02846	0.6
122.03636	13.3
123.04424	12.7
123.08051	0.4
133.02840	9.6
134.03470	0.3
135.03363	0.3
135.04393	8.4
137.02321	3.0
137.05966	8.9
138.03079	0.7
138.33510	0.4
140.01146	0.3
145.02843	4.0
147.04393	6.0
149.05983	1.0
150.03107	53.1
151.03902	5.9
153.05470	3.8
154.02582	4.0
155.08548	0.4
162.03093	0.5
163.03896	20.8
164.04253	0.5
165.04039	0.7
165.05461	11.2
165.06969	2.6
166.06245	28.9
167.06650	0.8
171.08006	0.4
173.02330	6.3
174.99213	11.4
175.03934	0.4
177.05432	1.9
178.07751	0.5
179.08525	0.8
181.04979	1.3
182.05670	1.9
185.02391	0.7
193.06502	1.9
197.05992	0.4
201.11926	0.3
207.07950	1.4
211.07501	1.1
216.01743	0.3
217.04932	1.0
221.05980	3.7
223.07481	0.6
225.05368	0.7
229.08530	0.3
235.07576	1.6
237.08965	0.4
239.07079	2.5
239.10649	0.6
248.77563	0.4
249.05467	4.1
250.06105	0.4
251.00055	1.6
251.07159	0.8
253.04898	0.8
253.08624	4.0
253.12263	0.5
263.10635	0.8
265.08588	0.4
265.11438	0.3
266.09195	0.6
267.06482	6.3
267.10040	1.2
268.06927	0.4
269.08029	0.5
277.04971	0.7
281.08771	0.5
281.11707	2.6
291.19757	0.7
295.05984	13.9
296.06229	0.6
299.12656	1.6
309.07684	0.6
309.11032	1.1
327.08414	5.8
327.12195	4.8
328.08420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55254	0.6
58.60886	0.6
69.10943	3.4
94.17868	0.6
94.23109	0.6
98.98457	99.7
100.97533	0.6
103.06770	0.8
103.79113	0.6
116.99509	1.9
145.95689	0.6
150.19366	0.6
153.07056	0.6
155.04930	1.7
165.07018	2.8
167.08492	0.8
174.99220	10.3
178.07755	9.4
179.08495	2.8
181.06386	0.8
183.08009	0.6
189.07002	1.8
190.07729	5.8
191.08537	34.5
192.09042	1.8
193.10164	6.3
195.08026	1.4
201.06918	0.9
202.07759	4.3
203.08537	6.8
204.09409	0.7
205.06458	1.2
206.07303	1.5
207.08064	6.0
218.07281	1.2
219.08023	48.6
220.08546	3.1
221.09590	20.0
222.09816	0.6
223.07478	2.0
225.09003	0.9
229.07671	0.8
229.21443	0.7
231.08005	2.7
232.08679	0.9
233.09500	0.7
234.06795	1.0
235.07535	6.1
235.11104	0.8
247.07526	100.0
248.08032	6.6
249.09102	29.7
250.09491	1.3
250.99976	1.4
251.07005	4.0
252.07709	1.0
253.08556	9.1
259.07526	4.0
263.10553	0.8
264.07867	1.2
265.08588	16.1
266.09235	2.3
267.10159	7.2
277.08569	33.4
278.08923	1.9
281.08078	8.2
281.11700	2.3
282.08749	0.9
295.09637	22.8
296.10309	5.9
297.11115	1.3
309.11328	1.3
323.77686	0.6
327.08340	0.6
327.12195	2.2
331.45737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1225
Annotation	Egonol
Peak:m/z	Relative Intensity
52.93138	1.4
69.83081	4.4
98.98466	38.8
103.32874	1.8
165.06908	2.2
167.08582	4.7
174.99268	3.7
179.08472	2.3
180.09323	2.4
181.10048	1.9
192.09402	2.0
194.10933	1.9
195.08081	4.5
209.13223	2.5
222.06697	2.9
222.10339	3.2
223.07509	22.4
235.07535	5.7
235.11111	1.8
236.08279	7.6
237.12743	2.5
247.11227	5.9
249.09140	1.8
250.09785	8.4
263.10632	3.0
265.12216	47.8
266.12405	2.4
283.13202	3.4
309.11176	100.0
310.11426	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	327.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
57.78332	0.6
67.15443	0.6
69.99387	1.6
83.70347	0.5
98.23363	0.8
98.98457	32.2
114.41907	0.5
116.99476	0.9
137.63141	0.6
141.06992	1.0
143.08568	0.7
151.93820	0.5
152.06207	0.8
153.06921	0.9
155.08395	0.8
165.07002	2.4
167.08527	0.8
174.99211	4.1
178.07750	25.7
179.08508	3.9
181.06496	1.1
183.08101	1.0
183.11697	1.1
184.08809	1.2
191.08449	1.0
192.09311	1.3
193.06450	0.8
193.10106	20.1
194.10428	1.4
195.08102	1.8
197.09520	3.2
202.07755	6.8
203.08536	7.8
204.08908	0.7
205.06500	3.3
206.07227	15.3
207.07889	2.3
209.05925	1.8
211.07506	1.2
211.11154	1.0
213.05492	0.7
219.07910	0.9
220.08760	1.3
221.09587	81.2
222.09933	4.8
223.07458	0.8
223.11099	0.6
225.05458	1.6
225.09059	0.7
231.07959	4.2
232.08589	0.7
234.06754	7.5
235.07530	3.1
238.06125	1.1
239.06989	2.0
239.10626	2.3
240.07787	8.5
243.54857	0.6
248.08308	0.6
249.09081	87.2
250.09442	5.7
251.00070	0.6
251.07091	0.7
251.10635	0.6
252.07794	6.1
253.08466	1.0
262.06201	2.0
267.10132	100.0
268.10507	5.5
268.13089	0.8
277.08554	45.4
278.08899	3.0
295.09619	34.4
296.09979	1.6
309.11157	2.0
327.12375	2.6
327.15674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08620	0.7
56.06751	0.6
58.67265	0.7
69.67800	2.6
70.19853	0.6
71.84892	0.6
80.34656	0.6
98.98463	58.7
104.88595	0.7
116.99502	1.3
128.81912	0.6
155.08505	0.8
165.06998	2.8
167.08565	1.2
169.55614	0.6
174.99223	6.2
177.06953	1.3
178.07751	20.4
179.08444	2.5
181.06487	1.4
183.08040	0.7
183.11653	0.7
191.08516	1.1
192.09297	0.9
193.10110	17.2
195.05247	0.6
195.08008	1.2
196.08748	0.7
197.09564	2.9
202.07771	5.1
203.08556	6.9
205.06450	2.3
205.10046	0.8
206.07262	8.6
207.07877	1.3
211.07646	1.0
211.11160	1.2
219.08052	1.3
220.08809	1.2
221.09596	65.9
222.09903	2.9
223.07500	1.2
224.08174	0.9
225.05455	1.6
225.08994	0.9
231.07924	3.7
231.26822	0.6
232.09233	0.7
233.09561	1.3
234.06844	4.5
235.07585	3.1
236.07968	0.7
238.06096	1.3
239.07076	1.1
239.10680	2.3
240.07791	5.0
248.08289	1.5
249.09097	67.0
250.09413	3.9
251.00049	1.0
251.06985	1.2
252.07820	7.0
253.08432	1.5
257.91156	0.6
258.22531	0.6
261.08945	1.4
262.06268	1.4
263.10791	0.7
266.09341	1.6
267.10144	100.0
268.10440	5.7
277.08591	16.8
278.08829	0.6
279.10126	0.8
291.10257	0.7
295.09631	27.3
296.09979	2.0
309.11206	1.7
309.14658	0.8
327.12244	3.9
327.15771	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1225
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
63.07616	1.1
69.15672	3.4
69.16070	2.7
98.98453	61.4
104.62558	1.0
128.81636	0.9
152.06258	1.3
153.06912	1.2
165.06987	3.5
166.07771	2.1
167.08525	3.6
174.99164	6.5
177.06772	1.1
178.07733	12.2
179.08542	7.7
181.06502	1.1
189.06967	1.5
190.07790	3.5
191.08525	6.9
192.09306	8.7
193.10068	6.1
195.08054	1.7
197.05815	1.8
202.07803	9.6
203.08505	2.1
205.06477	1.8
205.10170	3.7
206.07243	1.9
207.07964	4.3
207.11536	5.2
209.09619	1.8
211.07535	3.1
211.11076	1.4
217.10107	8.7
218.07288	2.3
219.08022	4.5
220.08704	6.7
221.09581	19.6
222.10332	4.6
223.07585	5.3
226.07832	1.9
227.08578	2.5
232.08794	2.5
233.09631	5.3
234.06786	8.5
234.10262	2.0
235.07535	9.8
235.11133	12.2
236.08145	1.6
237.09085	2.2
238.06386	1.9
238.49411	1.4
239.06960	6.4
239.10568	1.4
245.09543	7.3
247.07481	8.2
248.08269	7.8
249.09032	12.8
250.09782	3.9
250.99968	1.2
251.07025	10.9
251.10869	1.3
252.07715	2.7
253.08588	3.8
260.08273	2.2
261.09003	6.6
262.06284	3.2
262.09436	1.1
263.07007	7.5
263.10632	24.9
264.07663	1.0
265.08636	2.5
266.09323	8.8
267.07364	1.2
267.10150	5.9
267.13705	2.7
269.08041	1.7
273.09085	6.7
275.07080	1.2
276.07800	2.8
277.08588	1.7
278.09308	19.7
279.10098	5.1
281.08112	4.3
281.11713	12.2
291.10114	88.7
292.10553	6.2
294.08841	8.5
306.34918	1.2
309.11154	100.0
310.11475	5.2
327.12247	27.2
327.16122	1.5
349.02716	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1225
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
56.96546	0.8
57.02073	0.5
57.03452	0.6
57.07068	0.8
58.76950	0.6
69.07058	2.7
70.89285	0.8
79.05495	3.4
81.06569	0.9
81.07047	15.2
83.04965	1.0
92.32303	0.6
97.06522	0.7
98.98456	100.0
99.08066	1.8
102.92548	0.7
116.98727	0.6
116.99479	3.6
125.22866	0.5
140.01062	0.9
145.06493	0.7
152.06352	0.8
157.06494	0.9
165.07047	1.0
169.06447	1.0
173.05891	0.6
174.99200	11.9
178.07643	0.8
179.08517	1.1
181.06485	0.7
185.05956	1.4
191.08316	0.7
192.09302	5.4
193.10077	1.0
197.05974	1.0
197.09586	0.9
198.25639	0.6
198.96831	0.9
199.07545	1.2
201.05412	1.5
202.07965	1.3
207.08109	1.0
207.11600	3.2
209.05930	0.7
213.05392	3.0
213.90361	0.7
214.06180	1.6
217.10202	1.0
219.08104	1.1
220.08812	2.7
222.06718	0.7
223.07611	0.8
225.05548	1.4
225.08990	2.9
227.07010	0.8
229.04898	11.4
230.05704	2.3
234.10527	0.7
235.07448	0.9
235.11163	6.4
237.09079	1.5
238.09572	0.6
239.06938	0.8
242.05693	0.7
243.06490	1.8
245.09569	1.4
248.08325	3.2
249.09132	1.4
250.99953	2.1
251.06978	2.0
252.07837	0.9
253.04941	4.6
253.08598	2.5
254.05727	3.6
257.04398	1.7
263.10651	22.9
264.11130	1.0
265.08600	1.5
265.12161	0.7
266.09360	0.9
267.06439	1.8
268.07153	0.8
270.08826	2.7
271.09567	4.6
273.09207	1.2
276.07657	1.3
278.60736	1.5
279.06418	0.8
281.08087	1.8
281.11691	2.4
285.07855	0.9
291.10132	17.1
292.10452	1.4
294.08871	2.6
306.61484	0.8
309.11179	35.4
310.11377	2.0
317.17847	1.1
327.12201	7.1
327.15936	2.2
327.22900	33.7
327.62213	1.1
328.23010	1.2
328.31940	1.2
335.18951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1227
Annotation	Teysmannic acid
Peak:m/z	Relative Intensity
55.19181	0.7
60.97888	0.7
69.67938	1.8
71.04975	1.4
93.02915	0.7
98.98465	74.1
116.99480	1.1
120.06792	0.7
141.06964	0.8
152.06203	1.7
155.08517	1.6
165.06982	6.5
166.07744	1.2
167.08521	3.4
174.99210	8.4
178.07770	16.5
179.08559	10.4
181.06458	1.4
181.10162	1.2
183.08009	1.2
186.99190	0.8
189.06967	1.7
190.07800	4.7
191.08536	8.8
192.09322	12.5
193.06406	1.1
193.10068	7.3
194.07205	1.1
194.10786	2.1
195.08052	3.9
195.11687	1.1
197.05949	3.4
202.07790	13.1
203.08481	4.0
204.09340	2.5
205.06435	2.7
205.10068	4.7
206.07243	3.6
206.10771	0.8
207.08040	4.8
207.11697	7.6
209.09471	1.3
210.10359	1.2
211.07498	4.1
211.11258	0.8
212.49959	0.8
215.08554	1.6
216.09386	1.7
217.10101	8.8
218.07248	2.2
219.08015	7.1
220.08809	8.1
221.06181	1.4
221.09590	23.4
222.06712	0.8
222.10274	5.2
223.07544	7.6
225.05455	3.1
226.07838	1.5
227.08551	2.4
230.07248	1.3
231.08014	1.6
232.08809	4.2
233.09625	7.9
234.06761	9.5
235.07545	11.7
235.11166	16.2
236.07961	1.2
237.09140	2.4
238.06247	2.2
238.09921	1.6
239.07007	7.7
245.09586	12.4
246.09984	1.2
247.07506	11.8
248.08253	10.4
249.09071	17.9
249.11877	1.2
249.12746	1.3
250.09729	3.9
251.06990	15.3
251.10722	1.8
252.07658	3.7
253.08659	4.4
257.08014	1.0
258.06873	0.8
259.07501	1.2
260.08325	1.9
261.09134	10.1
262.06274	3.4
263.07065	9.4
263.10660	35.7
264.07822	1.6
264.10907	2.2
265.08591	3.9
266.09393	11.9
267.10141	7.9
267.13733	2.7
268.10590	0.9
269.08347	1.7
273.09067	8.1
275.06958	1.2
276.07828	3.3
277.08517	2.3
278.09387	25.4
279.10080	5.7
281.08127	4.9
281.11703	10.4
291.10138	98.8
292.10492	6.3
294.08838	11.9
309.11188	100.0
310.11484	7.2
327.12262	28.6
327.15921	2.0
328.12509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49027	0.3
69.26112	2.3
79.05495	0.5
91.05434	0.5
96.87672	0.4
96.88299	0.3
98.22710	0.7
98.98460	100.0
99.04432	0.6
105.07034	2.4
116.99519	2.6
117.00217	0.5
121.55988	0.4
122.03619	0.4
127.03886	0.5
133.06458	5.7
137.05968	8.1
151.03920	1.2
165.06998	0.4
165.09093	3.0
174.99214	11.3
177.09068	0.9
183.10214	0.7
193.06442	0.4
203.10713	0.4
211.07520	0.8
221.06017	1.0
225.09073	0.4
235.07503	1.1
239.06976	0.6
239.88942	0.4
249.05450	0.6
251.00026	1.5
253.08498	0.5
257.08203	0.7
267.06580	0.5
281.08142	0.9
299.09164	0.7
309.07529	1.3
327.08536	3.3
327.12180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.8
56.43002	0.5
60.11401	0.5
69.71944	0.6
71.41924	0.8
77.88402	0.6
79.05482	0.7
81.03405	1.2
81.07016	0.5
83.04971	1.0
91.05481	0.6
93.07053	0.8
95.04939	0.5
95.65044	0.5
98.98460	100.0
99.04465	0.9
100.11237	0.7
105.07007	4.3
109.02846	0.6
114.09155	1.0
116.99499	1.9
122.03651	0.7
127.03842	1.3
131.11780	0.5
133.06485	9.0
137.05968	15.0
138.06329	0.6
138.33617	0.5
151.03850	0.8
163.03917	0.6
165.04514	0.6
165.09137	4.7
174.99225	11.2
175.21240	0.6
183.10193	1.9
235.07526	1.0
251.00105	1.2
277.04996	1.0
309.07617	2.1
327.08905	0.8
327.12259	1.4
327.22998	0.6
345.58850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12854	0.4
79.05504	0.7
81.07024	0.4
89.03931	2.5
98.98462	100.0
105.07038	1.5
107.04929	0.9
116.99512	2.4
117.03362	3.6
120.08090	0.7
133.06494	2.7
135.04407	7.1
137.05972	4.0
137.33266	0.4
141.07117	0.4
145.02872	4.6
145.03960	0.7
160.67169	0.4
160.94754	0.4
163.03894	31.3
165.09102	1.2
167.06732	0.4
174.97780	0.9
174.99222	11.8
179.08594	0.8
189.39528	0.4
194.85849	0.5
219.08075	0.9
235.07475	1.9
237.09126	0.6
249.05359	0.5
250.99908	1.1
253.08444	0.5
263.07025	0.5
267.06512	0.5
281.08051	6.5
309.07663	2.2
327.04980	0.8
327.08594	0.6
327.12292	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	327.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12854	0.4
79.05504	0.7
81.07024	0.4
89.03931	2.5
98.98462	100.0
105.07038	1.5
107.04929	0.9
116.99512	2.4
117.03362	3.6
120.08090	0.7
133.06494	2.7
135.04407	7.1
137.05972	4.0
137.33266	0.4
141.07117	0.4
145.02872	4.6
145.03960	0.7
160.67169	0.4
160.94754	0.4
163.03894	31.3
165.09102	1.2
167.06732	0.4
174.97780	0.9
174.99222	11.8
179.08594	0.8
189.39528	0.4
194.85849	0.5
219.08075	0.9
235.07475	1.9
237.09126	0.6
249.05359	0.5
250.99908	1.1
253.08444	0.5
263.07025	0.5
267.06512	0.5
281.08051	6.5
309.07663	2.2
327.04980	0.8
327.08594	0.6
327.12292	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	327.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06305	1.3
67.82935	1.3
69.76213	2.6
69.76566	3.0
71.71014	1.2
76.55140	1.4
98.23422	1.8
98.98438	9.1
111.84360	1.3
112.80455	1.2
118.07045	1.3
178.07765	3.9
179.08533	47.6
180.08852	1.8
181.60783	1.6
191.08566	5.2
192.09258	2.8
193.10077	2.3
206.07219	1.3
206.10857	11.4
207.08023	100.0
208.08707	13.3
209.09485	2.0
209.45177	1.3
215.08524	2.1
216.09308	19.4
219.08011	4.8
221.09630	9.5
221.13124	7.3
224.08209	6.0
225.09084	30.7
226.09300	1.2
231.11626	15.0
234.10368	9.8
249.12718	84.1
250.13126	3.6
250.30708	1.2
267.13763	81.2
268.14178	4.6
299.16376	3.3
300.14120	1.2
309.75790	1.2
327.15915	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Trigonostemone
Peak:m/z	Relative Intensity
57.27469	0.4
57.56225	0.4
59.04996	0.6
62.98240	0.4
69.03396	0.4
70.08218	0.5
70.08532	0.9
71.08645	0.4
72.05771	0.5
78.64606	0.4
84.70491	0.4
91.05478	0.8
98.98460	43.0
116.99487	1.6
141.06985	1.0
142.07826	0.6
143.04927	1.5
153.06953	0.9
155.08517	1.2
157.10152	0.6
165.06975	1.2
167.01929	0.4
167.08569	1.0
169.06511	0.8
169.10094	1.0
170.07207	0.5
171.08063	0.6
171.11665	0.7
174.99210	4.6
178.07739	0.9
179.08478	2.0
181.06465	0.5
181.10110	0.6
182.07298	0.7
182.10915	0.5
183.08069	2.6
185.09610	6.9
188.01909	0.5
191.08557	1.1
192.09286	1.3
193.10056	0.6
195.08067	1.5
196.08817	1.5
197.06018	1.0
197.09639	0.7
205.06572	0.4
205.10117	0.6
206.07291	0.9
206.10915	4.1
207.08049	2.8
207.11581	1.4
209.06010	0.8
209.09641	2.6
210.10359	1.2
211.07567	3.6
211.14813	0.6
213.05469	3.4
216.09325	1.2
219.08051	1.8
220.08775	1.8
221.09532	0.9
221.13300	2.8
222.06767	0.7
223.07555	2.1
223.11154	1.2
224.08354	2.6
224.11986	1.5
225.05487	1.1
225.09108	1.3
225.12695	5.7
227.07082	1.2
231.11719	1.5
233.03516	0.5
233.09488	0.9
234.10414	3.8
235.07526	3.5
235.11105	1.9
237.05450	0.7
237.09067	3.4
238.06262	0.5
238.09885	1.6
238.58426	0.4
239.06943	2.1
239.14339	1.9
241.08488	0.7
247.07515	0.8
248.08279	1.2
249.08882	1.0
249.12726	12.4
250.13065	0.8
251.00006	0.9
251.07014	1.1
251.10693	2.3
251.14211	0.6
252.07828	5.1
252.11420	2.0
253.08563	2.1
253.12241	0.8
255.10191	4.3
259.11368	0.5
261.09103	0.8
262.09866	6.7
263.10574	1.2
265.08582	3.1
266.09393	3.4
266.12036	0.7
267.10410	0.7
267.13745	7.1
268.14258	0.5
269.11743	1.5
277.12207	15.6
278.12659	1.1
279.10187	1.0
280.10931	5.8
281.11676	0.5
281.15463	0.8
284.10858	2.7
284.14078	2.7
291.13809	0.5
294.12585	1.0
295.13287	31.2
296.13681	2.6
297.11328	0.7
298.11859	1.3
309.14822	3.1
312.13547	2.9
321.63959	0.5
326.37747	0.5
327.15897	100.0
327.22595	23.9
328.16208	5.5
328.23029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.01877	0.7
55.05505	0.6
62.19135	0.4
67.05488	1.2
69.07077	0.5
69.33674	1.3
69.34061	1.0
74.63108	0.5
75.86672	0.4
77.08191	0.4
79.05479	3.4
81.07047	2.0
91.05470	4.6
93.07039	1.1
94.04198	2.3
95.04958	1.4
98.22723	0.8
98.98459	61.9
103.05461	21.3
105.07023	10.7
107.04923	4.2
107.08581	1.0
108.05751	0.5
109.06532	2.3
111.08079	0.7
115.05439	1.7
116.99516	1.2
117.03421	1.0
117.06968	2.5
119.04939	1.1
119.06006	0.5
119.08598	0.4
120.05747	0.5
121.06496	6.5
122.03630	7.7
123.04416	0.5
123.08071	1.2
128.06230	0.8
129.07019	1.3
131.04915	25.6
133.06483	36.8
134.06822	0.8
135.04407	1.6
135.08035	13.0
136.05226	0.8
136.08472	0.5
137.05966	100.0
138.06313	2.2
143.04964	0.9
143.08536	0.8
145.02832	1.0
145.06476	6.7
147.08017	2.6
149.05975	2.1
151.07544	11.2
157.06459	2.8
162.06769	0.9
163.03920	6.8
163.07527	59.2
164.07875	1.1
169.06595	0.6
171.08015	1.8
174.99213	6.4
175.07561	2.9
176.08244	0.5
177.09073	2.2
187.07515	1.5
188.08260	0.4
189.07440	0.4
189.09053	2.4
202.07832	0.7
203.08931	0.5
203.10643	2.6
207.08109	0.7
211.07646	0.6
217.10112	0.7
220.08786	0.9
235.11227	2.4
245.09541	1.4
248.08408	0.9
250.99916	1.2
263.10681	4.6
280.11154	0.6
295.13266	8.9
299.08975	0.7
327.08423	0.8
327.12369	0.8
327.15891	5.9
328.16364	0.6
328.24368	0.7
343.65439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Trigonostemone
Peak:m/z	Relative Intensity
52.70847	0.5
53.38027	0.5
55.05507	0.6
66.67406	0.4
68.33669	0.6
73.06548	5.4
81.07028	0.6
97.06587	0.5
98.98457	100.0
116.99496	2.8
140.01067	0.7
141.06964	1.4
143.04906	1.2
143.83794	0.6
150.60339	0.5
152.06203	0.7
155.08495	1.4
157.10120	0.6
165.06972	0.7
167.08542	0.6
169.06503	2.9
169.10107	1.0
171.08000	1.3
174.99211	11.5
178.07828	0.8
179.08530	1.7
183.08008	3.0
185.09607	6.6
193.10010	1.1
195.08058	1.3
197.05977	1.7
197.09688	0.7
201.09085	1.5
206.10869	1.3
207.07953	1.0
209.09624	2.2
210.10367	0.8
211.07533	2.3
213.09227	1.1
216.09123	0.6
219.08061	1.4
221.09526	1.0
221.13152	1.2
223.07536	1.5
223.11108	1.2
224.08264	0.8
224.11858	1.9
225.09149	3.8
225.12680	3.9
234.10355	1.7
235.07477	0.7
235.11133	0.8
237.09129	4.2
238.09895	1.3
239.07191	1.1
239.10706	1.0
239.14308	1.9
245.11723	2.4
247.07474	0.8
249.08975	0.7
249.12772	4.7
250.99883	1.4
251.10684	3.3
251.14232	0.9
252.07829	0.7
252.11482	3.5
253.08545	0.7
253.12231	1.1
255.10205	1.1
256.10919	1.0
259.11023	0.5
261.09119	0.6
262.09857	3.1
265.08411	1.0
265.12296	0.6
266.13034	0.8
267.13770	27.6
268.14151	1.5
269.15399	2.3
277.12152	4.5
279.10223	0.7
280.10950	3.3
281.11606	0.9
281.15414	1.5
283.13348	4.4
283.16254	0.9
295.13266	57.0
296.13553	2.9
297.11545	0.9
297.14764	6.5
310.18060	0.8
312.13538	17.7
313.13773	0.7
327.07950	1.0
327.12540	0.9
327.15872	23.3
328.16058	1.9
328.32059	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	327.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.7
56.56323	0.7
58.06584	0.9
69.34554	3.9
71.98809	0.7
72.47759	0.7
98.98455	100.0
109.85107	0.8
116.99480	2.4
120.74987	0.8
133.08591	0.7
140.01094	0.7
152.06221	2.1
174.99199	10.8
178.57645	0.8
179.08522	0.8
180.04132	0.7
182.47295	0.7
207.07909	1.3
211.07895	0.7
233.03645	1.0
251.00040	0.8
251.04561	0.7
252.11595	0.7
253.15778	1.0
263.14355	0.8
286.83801	0.7
287.10349	1.8
326.33905	2.0
327.07730	2.7
327.22885	95.4
328.23257	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	327.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71969	3.6
77.01577	1.0
80.94846	1.0
91.05479	3.3
91.58772	0.9
92.56148	1.0
98.22813	1.2
98.98459	93.2
116.99457	3.4
127.87469	0.8
139.05139	0.8
140.01076	1.0
143.04939	1.0
148.36900	0.9
174.99219	10.2
183.08153	1.2
185.09587	2.4
195.07806	0.9
196.09032	0.8
206.07178	0.9
206.10944	1.5
207.08051	1.6
209.09613	1.5
213.05333	1.4
219.08047	1.1
225.12672	3.3
231.11671	1.5
234.10291	1.8
237.09064	1.2
249.12656	6.2
250.99884	1.8
251.10527	1.0
252.07822	2.3
252.11368	1.2
255.10049	2.0
262.09808	3.4
265.08435	1.9
267.13763	3.1
277.12222	6.2
280.11069	2.0
294.12521	1.1
295.13290	11.9
296.13419	1.5
303.11163	1.0
309.14825	1.4
326.37814	1.5
327.07660	2.6
327.16006	38.6
327.22849	100.0
328.15930	3.7
328.23160	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	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.1
53.03936	5.0
54.98483	1.2
55.01844	2.1
55.05506	7.6
57.03429	1.4
57.07059	4.3
64.55848	1.1
64.62700	1.1
65.03932	2.2
67.05494	13.4
69.07069	5.8
69.22844	1.2
71.04970	1.2
77.03904	7.2
79.05488	10.9
81.03391	2.4
81.07047	12.9
83.04940	1.2
83.08587	2.1
85.57537	1.3
91.05469	18.3
93.07037	29.7
93.07606	2.8
95.04958	58.6
95.08025	1.7
95.08595	22.9
96.05286	1.3
97.06510	6.5
98.23481	3.9
98.98454	100.0
103.05441	2.0
105.04525	8.8
105.06351	1.8
105.07018	25.0
107.08576	18.0
109.06504	5.6
109.10162	8.9
115.05453	3.0
116.06274	1.2
116.99487	2.5
117.07041	8.7
119.08566	27.7
121.06490	9.7
121.10117	15.0
123.08035	2.6
123.11704	3.3
128.06171	3.1
129.06987	5.6
130.07776	1.9
131.08556	13.4
133.10121	19.9
135.08051	4.5
135.11681	5.1
137.09613	2.5
141.06970	3.3
142.07768	5.0
143.08575	9.7
144.09306	2.8
145.10109	17.0
147.08078	2.1
147.11714	7.0
149.09587	2.9
149.13193	1.9
152.06192	25.7
153.06982	19.9
154.07431	1.2
155.08562	3.3
156.09309	2.0
157.10144	15.3
158.10855	1.7
159.07985	1.2
159.11676	15.2
161.09584	6.1
161.13199	1.9
167.08546	1.6
168.05673	10.1
169.06476	4.9
169.10107	7.4
170.10899	2.6
171.08035	3.6
171.11681	8.4
173.13277	7.5
174.99203	10.2
175.01566	2.6
175.11203	1.6
175.14789	7.2
175.71689	1.2
179.08543	3.0
181.10081	2.7
183.11650	6.6
184.12413	1.5
185.13240	5.1
187.11160	2.6
187.14854	7.2
189.12802	1.4
189.16467	1.7
194.10829	1.6
195.11665	3.3
196.12361	1.5
197.13271	3.8
198.79579	1.3
199.14798	3.8
201.12775	1.5
201.16426	1.5
207.11755	2.1
209.13240	4.7
211.14780	4.9
215.02588	6.5
215.14265	1.5
217.15842	2.3
223.14777	1.6
225.16461	1.9
228.09288	6.6
229.10172	2.3
229.12292	2.2
229.15770	1.5
233.03601	24.8
251.00130	1.7
251.04620	10.0
253.15858	1.6
291.21048	1.9
309.22147	3.5
327.07773	95.4
327.23007	9.0
328.08139	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	328.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74366	0.3
56.96563	11.9
56.96838	0.7
59.10232	0.3
64.26046	0.3
70.68539	0.4
71.95254	0.3
74.69483	0.3
98.23354	0.4
98.97592	24.3
98.98469	11.5
105.52241	0.3
113.45611	0.3
116.97775	0.6
116.98621	11.4
123.20987	0.3
126.02266	1.1
128.80962	0.4
130.93288	2.4
134.99675	3.2
140.03781	0.8
142.05409	0.8
144.03346	0.7
148.94350	0.5
154.93307	1.0
155.94078	0.4
156.96677	0.3
158.04886	1.1
160.06433	1.8
163.80634	0.3
172.94345	27.9
174.97775	0.4
174.99162	0.6
176.06053	0.4
176.99005	0.5
188.05966	0.4
190.95390	20.5
200.93932	0.5
208.00336	0.4
208.96437	5.2
214.95374	31.5
215.95836	0.6
216.96906	0.8
216.98819	0.6
218.94896	0.5
219.01994	0.3
224.08113	0.5
228.95766	0.7
232.96442	100.0
233.96793	2.0
234.99835	0.5
242.93669	0.3
246.96826	1.2
250.97508	48.5
251.97765	0.7
255.98032	1.1
256.96378	0.4
258.99750	0.7
260.94684	0.5
263.02261	0.4
268.98541	0.6
273.99274	0.4
274.97519	2.3
277.00671	0.5
278.95963	0.7
286.02808	0.5
287.97021	1.4
288.97775	1.8
292.98508	1.2
298.02615	0.5
304.03903	0.8
305.98120	1.1
306.98975	0.5
307.67099	0.3
328.03717	12.9
329.04459	0.8
346.04834	71.3
347.05051	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	328.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.9
51.02364	2.6
52.70272	0.6
53.03931	1.4
55.05482	0.5
60.30683	0.5
67.05501	1.2
69.03441	1.1
77.03925	24.7
78.04694	0.5
79.01342	0.5
79.01854	2.0
81.07050	0.8
89.03888	0.6
95.04969	7.6
95.08611	0.5
98.98460	68.0
103.24722	0.5
105.03385	33.5
105.04524	2.2
116.99479	1.5
121.02043	0.7
121.02854	6.2
123.04421	6.6
125.02339	0.8
133.02841	100.0
134.03516	2.4
135.04402	2.4
145.02817	1.9
149.02333	1.0
150.05524	0.7
151.03885	3.1
153.01799	2.6
161.02333	3.5
163.02487	0.6
163.03879	11.5
164.04126	0.6
174.99191	5.0
175.99562	0.7
176.98912	1.5
199.02289	1.4
201.05347	0.6
230.05737	1.0
233.05917	0.5
240.04016	0.7
243.02855	1.3
258.05188	1.8
273.07489	1.1
283.05798	0.7
286.04773	3.0
301.07037	5.3
328.12268	0.8
329.06525	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	328.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31544	0.3
63.02379	0.3
66.02472	0.3
71.79433	0.3
79.05470	1.0
79.57477	0.3
89.03913	6.6
89.26086	0.3
93.86894	0.4
95.04990	0.6
98.98454	29.7
107.04938	2.5
116.99503	0.6
117.02563	0.7
117.03363	9.7
120.08085	2.7
133.74352	0.4
135.04399	18.7
136.04675	0.5
145.02832	13.6
146.03194	0.5
154.43678	0.4
163.03885	100.0
164.04198	3.0
165.57802	0.3
166.08594	1.6
171.90460	0.4
174.99226	1.8
176.99001	0.4
213.11259	0.4
214.36765	0.4
265.12491	0.4
282.08383	0.8
282.80768	0.4
310.07874	0.7
328.08368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
67.40116	0.7
70.03320	1.7
70.03684	0.7
97.21118	0.6
98.98464	100.0
100.98895	0.7
116.99515	2.4
130.93288	0.7
166.07623	0.6
174.99202	7.1
175.99603	0.9
176.98903	2.9
181.10164	0.9
190.95450	1.2
191.08566	0.9
199.96288	0.8
219.08049	1.6
223.07545	1.0
229.05014	1.0
230.05363	1.7
232.96516	1.3
237.09100	3.4
244.06891	0.8
247.07343	0.7
250.97603	0.7
251.07137	0.7
252.99718	0.8
254.09003	0.7
265.08560	6.3
270.00613	0.7
282.12219	1.3
282.15689	0.6
284.13580	1.4
300.13141	2.1
328.12378	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42047	0.9
95.91193	0.7
98.98459	100.0
100.98923	0.8
116.99492	3.1
170.66809	0.8
172.94341	0.8
174.99214	7.4
176.98907	2.9
183.08118	0.8
190.07718	4.5
190.95354	1.1
203.08505	0.9
205.10095	7.2
218.07259	1.0
232.96408	1.1
233.09590	16.1
261.09091	42.6
262.09506	2.2
279.10175	11.4
284.13742	0.9
285.73181	0.8
297.11212	8.7
298.11530	0.8
328.12399	3.7
328.15881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	2.4
69.14718	17.2
76.39656	2.4
79.42947	2.1
80.35598	2.4
89.27621	2.7
98.98460	100.0
114.49512	3.0
129.01869	4.2
132.72061	2.6
139.00365	2.2
145.29861	2.2
151.43690	2.2
157.01363	2.9
167.08595	3.2
174.99207	9.0
179.08563	14.4
181.06482	11.3
183.07959	3.5
195.07997	4.7
196.08771	2.8
197.09647	15.2
201.12802	3.8
221.09563	9.4
222.10410	2.5
229.12260	8.7
230.24745	3.8
235.11305	5.2
236.11993	8.2
237.12732	28.7
239.11995	4.7
239.14272	49.4
240.14525	3.8
249.12810	3.2
265.08536	3.4
279.17343	18.6
297.18259	2.9
314.37766	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91877	2.5
72.08160	4.3
98.97824	5.4
98.98458	100.0
143.08856	2.5
174.99226	10.6
195.11571	4.1
223.11110	9.6
238.06244	3.0
240.11359	3.1
260.02911	2.6
265.15878	7.1
283.16907	53.2
314.36774	2.8
328.32266	3.7
328.35712	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
56.05006	1.1
57.03427	1.1
67.05487	6.0
69.07057	4.9
69.23095	6.6
79.05493	5.1
81.07047	9.8
83.04954	1.3
83.08566	1.2
91.05475	3.7
93.07029	5.5
95.08588	4.1
98.09681	5.2
98.98455	100.0
105.07020	3.4
107.08601	3.4
109.10151	1.1
116.99509	3.6
119.08596	1.9
121.10133	1.7
131.08511	1.7
133.10120	2.5
135.11661	2.3
142.97542	1.4
147.11713	2.0
174.36885	1.1
174.99196	7.9
176.98909	2.9
181.12221	2.7
190.50958	1.2
266.32797	1.3
276.20306	1.4
312.20255	1.1
328.18777	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66985	1.0
55.01870	2.3
55.05512	23.8
55.28721	1.0
67.05501	7.3
69.03423	1.5
69.07059	10.5
70.45262	1.0
71.04996	1.1
77.64045	1.0
79.05481	11.2
81.07052	7.3
83.04964	2.3
83.08604	13.7
91.05470	6.6
93.07045	5.5
95.08603	3.9
97.10165	28.0
98.98461	100.0
102.96091	1.0
105.07013	6.0
107.04967	0.9
107.08585	29.4
109.10148	1.4
116.99484	2.5
119.08577	3.0
121.10153	1.9
125.09615	23.7
131.08569	1.8
133.10146	4.2
135.08080	2.4
135.11484	1.2
145.10136	3.2
147.11671	2.9
149.09639	3.8
153.09161	2.0
153.12666	1.0
159.11642	1.2
161.13239	1.0
171.10184	2.0
172.94290	1.0
174.99203	9.1
176.98935	2.7
181.12274	1.5
188.25179	1.0
189.11198	36.5
190.11444	1.9
239.17970	1.6
252.99858	1.8
257.19073	3.5
275.20056	22.8
282.38150	1.2
293.21069	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05255	0.7
55.05490	3.9
56.85978	0.7
67.05508	5.2
69.07054	1.2
69.20284	3.8
71.04948	0.9
77.96516	0.8
79.05478	7.1
80.97408	0.8
81.07056	4.4
83.08623	1.3
91.05466	3.5
93.07047	5.6
95.04949	1.6
95.08607	3.4
97.10150	1.5
98.23434	1.4
98.98460	100.0
100.98869	1.2
105.07043	2.7
107.08579	3.6
109.10122	3.7
116.99495	2.7
119.08593	2.4
121.10143	3.5
123.11700	0.8
125.09619	1.9
131.08527	1.2
133.10123	1.8
137.09598	1.4
140.01184	0.8
145.10069	1.4
172.13353	1.9
173.11736	2.1
174.99211	7.8
176.28755	0.8
176.98900	3.5
189.11182	0.9
209.07497	0.7
252.99678	0.9
275.19962	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05255	0.7
55.05490	3.9
56.85978	0.7
67.05508	5.2
69.07054	1.2
69.20284	3.8
71.04948	0.9
77.96516	0.8
79.05478	7.1
80.97408	0.8
81.07056	4.4
83.08623	1.3
91.05466	3.5
93.07047	5.6
95.04949	1.6
95.08607	3.4
97.10150	1.5
98.23434	1.4
98.98460	100.0
100.98869	1.2
105.07043	2.7
107.08579	3.6
109.10122	3.7
116.99495	2.7
119.08593	2.4
121.10143	3.5
123.11700	0.8
125.09619	1.9
131.08527	1.2
133.10123	1.8
137.09598	1.4
140.01184	0.8
145.10069	1.4
172.13353	1.9
173.11736	2.1
174.99211	7.8
176.28755	0.8
176.98900	3.5
189.11182	0.9
209.07497	0.7
252.99678	0.9
275.19962	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1017
Annotation	Angulifolide
Peak:m/z	Relative Intensity
55.01864	0.7
58.01175	0.4
59.91063	0.4
93.79799	0.4
98.98455	100.0
100.21268	0.4
100.89456	0.4
100.98900	0.6
105.56264	0.5
116.99510	1.8
129.06949	0.6
141.36496	0.5
145.06494	0.5
155.04939	1.2
155.08488	0.4
157.06479	2.0
165.06979	1.0
166.07703	0.9
167.08569	1.4
169.06535	0.9
170.03851	0.4
171.04439	0.4
171.08090	0.7
173.05983	1.4
174.99203	6.4
176.98882	3.3
177.06953	0.5
178.07776	1.7
179.08533	0.8
181.10144	0.7
185.05933	0.6
190.07835	0.7
191.08507	0.9
193.10103	1.4
195.08038	2.0
197.05997	1.5
199.07530	1.6
201.05312	2.0
202.07877	0.5
203.08511	1.0
207.07977	0.8
209.05885	0.7
209.09570	1.1
211.07639	0.7
212.04646	1.3
213.05461	1.1
213.09131	0.8
219.06306	2.8
219.08260	0.9
221.09596	2.4
223.07500	4.3
225.05498	1.8
225.09023	1.2
226.06119	1.0
227.06947	2.6
227.10617	0.5
235.07512	0.6
237.09012	2.7
239.07072	0.7
240.07788	17.0
241.04980	1.1
241.08493	5.0
247.07553	0.8
249.09019	2.4
251.07008	4.8
251.10680	2.4
252.99669	1.4
253.08495	3.0
254.09444	2.8
255.10072	3.8
265.08566	2.7
265.11838	0.8
266.09357	3.3
267.10123	1.5
268.07697	0.5
268.10855	2.5
269.08069	25.6
269.11118	1.0
270.08478	1.4
271.63150	0.5
283.09631	31.5
284.10013	1.6
293.08035	1.3
293.11328	0.8
311.09067	8.0
311.12613	3.0
329.06534	0.8
329.10095	6.3
329.13803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
58.01175	0.4
59.91063	0.4
93.79799	0.4
98.98455	100.0
100.21268	0.4
100.89456	0.4
100.98900	0.6
105.56264	0.5
116.99510	1.8
129.06949	0.6
141.36496	0.5
145.06494	0.5
155.04939	1.2
155.08488	0.4
157.06479	2.0
165.06979	1.0
166.07703	0.9
167.08569	1.4
169.06535	0.9
170.03851	0.4
171.04439	0.4
171.08090	0.7
173.05983	1.4
174.99203	6.4
176.98882	3.3
177.06953	0.5
178.07776	1.7
179.08533	0.8
181.10144	0.7
185.05933	0.6
190.07835	0.7
191.08507	0.9
193.10103	1.4
195.08038	2.0
197.05997	1.5
199.07530	1.6
201.05312	2.0
202.07877	0.5
203.08511	1.0
207.07977	0.8
209.05885	0.7
209.09570	1.1
211.07639	0.7
212.04646	1.3
213.05461	1.1
213.09131	0.8
219.06306	2.8
219.08260	0.9
221.09596	2.4
223.07500	4.3
225.05498	1.8
225.09023	1.2
226.06119	1.0
227.06947	2.6
227.10617	0.5
235.07512	0.6
237.09012	2.7
239.07072	0.7
240.07788	17.0
241.04980	1.1
241.08493	5.0
247.07553	0.8
249.09019	2.4
251.07008	4.8
251.10680	2.4
252.99669	1.4
253.08495	3.0
254.09444	2.8
255.10072	3.8
265.08566	2.7
265.11838	0.8
266.09357	3.3
267.10123	1.5
268.07697	0.5
268.10855	2.5
269.08069	25.6
269.11118	1.0
270.08478	1.4
271.63150	0.5
283.09631	31.5
284.10013	1.6
293.08035	1.3
293.11328	0.8
311.09067	8.0
311.12613	3.0
329.06534	0.8
329.10095	6.3
329.13803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1381
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
55.01851	1.0
55.05501	1.6
70.55302	1.7
80.01405	0.9
86.46275	1.0
97.10145	1.1
98.98463	100.0
102.09084	1.2
107.08583	1.6
115.05351	1.4
116.92202	1.1
116.99485	1.6
131.42963	1.0
143.04909	2.2
153.06905	1.2
155.08633	2.2
163.07536	2.6
166.07880	1.1
167.08575	4.0
169.06470	1.9
174.99182	8.0
176.98943	4.0
179.08533	1.5
181.10010	2.3
183.08029	1.6
185.05928	1.5
185.09599	7.9
187.03900	2.5
194.10866	1.2
195.08011	4.4
197.05931	3.7
197.09595	3.1
199.07452	2.7
208.09010	1.3
209.05873	1.2
209.09743	1.2
209.13199	2.7
211.07462	2.4
212.08299	1.1
213.05475	2.1
213.09013	2.0
222.10361	2.1
223.07620	5.3
225.09163	6.3
225.12726	1.3
225.81877	1.2
226.09828	2.0
229.08601	3.1
236.08299	3.0
237.05426	1.9
237.09068	1.4
237.12688	8.3
239.10677	2.1
239.14180	1.4
240.07756	5.6
240.11356	3.3
241.08488	2.1
241.12195	5.2
250.09906	2.5
251.06923	1.4
252.99763	1.5
254.09404	3.7
255.13759	5.7
265.12173	12.3
266.12646	1.7
267.10413	1.8
267.13776	9.1
268.07104	1.5
268.10950	3.5
269.08542	1.8
269.11691	13.2
282.08905	1.1
283.13272	41.8
283.16455	2.1
284.13431	2.9
285.14786	7.6
293.11584	2.9
311.12778	52.4
311.16296	5.8
312.13052	3.0
329.13992	1.3
329.17377	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	329.1382
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
55.16408	0.5
58.18784	0.6
60.63889	0.5
63.01707	0.5
98.98460	100.0
100.98901	0.6
104.99250	0.5
108.44547	0.5
116.99499	2.6
129.06999	0.6
131.45264	0.5
144.99634	0.6
153.06947	0.9
155.08604	0.7
157.06398	0.6
157.10112	0.6
165.06966	1.4
167.08568	3.3
169.06516	0.5
169.10060	1.2
174.99196	6.5
176.98952	4.3
178.07791	0.7
179.08504	2.8
180.09377	1.7
181.10039	1.0
183.08098	1.4
185.05899	0.7
185.09604	3.1
187.11314	0.5
192.09305	0.6
193.06529	1.0
193.10127	1.4
194.10883	2.6
195.03857	0.6
195.08009	3.6
195.11702	0.8
197.05991	2.2
199.07541	0.6
203.08626	0.6
204.09390	1.5
205.06485	0.7
206.45456	0.5
207.08075	2.3
207.11691	1.3
208.08862	1.6
208.12086	0.5
209.06021	0.7
209.13274	3.6
211.07494	1.3
212.08118	0.7
213.09154	1.0
215.10657	0.9
219.11636	1.6
220.08904	0.8
221.05984	4.8
221.09613	2.2
222.06711	1.1
222.10355	3.6
223.07559	4.1
223.11139	1.8
225.05351	2.5
225.09056	1.8
226.09727	1.1
227.00882	0.5
232.08896	1.5
234.06583	0.8
235.07574	2.8
235.11107	2.4
236.08298	2.1
237.12692	10.3
238.06284	0.8
239.06956	7.8
239.10707	1.2
240.07671	1.6
240.11404	1.4
241.08589	0.7
241.12305	0.6
245.72276	0.6
247.07666	0.7
247.11157	4.0
248.08163	1.2
249.09090	3.6
250.06245	0.8
250.09790	2.7
251.06990	2.2
252.07664	0.9
252.99648	0.9
253.08557	4.7
255.13794	5.0
263.07248	1.0
263.10703	6.2
264.11374	1.0
265.09048	1.2
265.12225	15.7
266.09280	0.6
266.12570	1.1
267.10187	7.2
268.07330	5.4
269.07880	1.1
269.11761	1.1
275.10635	1.3
278.09344	2.4
280.10834	0.7
281.11685	5.3
282.08832	2.5
282.12433	2.4
283.10294	0.6
283.13019	3.1
293.11661	13.2
294.11850	0.8
296.10489	1.6
311.12744	95.5
312.13037	5.4
325.91641	0.5
329.04291	0.9
329.13678	3.0
329.17319	3.2
329.21359	2.7
329.71796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00992	0.5
59.05004	0.5
68.76279	0.4
69.20638	2.5
77.01585	0.6
78.39384	0.4
81.07039	1.2
83.81413	0.4
93.07014	0.4
98.22600	0.5
98.98457	100.0
100.98910	0.7
113.46341	0.4
116.99503	2.2
121.02805	0.4
128.06165	0.4
129.07016	1.0
131.08528	0.6
141.06944	0.5
143.08565	0.9
153.07040	1.0
155.08582	0.9
157.06479	2.9
159.08008	1.2
165.06964	4.8
166.07750	1.1
167.08531	2.7
169.06456	1.2
171.08069	0.9
173.09666	0.6
174.99225	6.8
176.98885	3.7
178.07861	0.7
179.08521	2.1
180.09305	5.9
181.06483	1.8
181.10115	4.2
182.07237	0.5
183.08035	1.0
185.05975	1.3
185.09703	0.6
187.07506	1.2
190.07739	2.8
191.08498	1.2
194.07309	1.2
195.08029	3.0
195.11673	7.2
197.05908	0.7
199.07532	1.2
199.11171	2.1
204.09416	0.5
205.08571	0.8
205.10155	5.2
207.08023	1.0
208.08833	8.7
209.06030	2.5
209.09564	8.2
210.06789	0.7
210.10355	0.5
211.07329	0.7
213.05496	0.5
213.09100	1.8
215.08537	1.0
218.07285	2.8
219.07999	1.1
219.09999	1.0
221.05957	1.0
222.06711	1.3
222.10353	0.5
223.07512	2.8
223.11153	28.5
224.08289	1.2
224.11546	1.8
225.09070	0.6
226.06192	0.5
227.06998	6.7
227.10535	0.8
228.07724	0.8
233.09578	5.3
235.07526	1.2
236.08302	8.6
237.09010	2.6
239.06894	0.6
240.07733	1.1
241.04857	0.5
241.08505	1.8
241.12236	1.6
241.15952	0.7
242.09332	9.2
251.10649	46.6
252.10994	2.8
252.99889	0.6
253.08649	0.5
254.09395	2.9
255.10065	2.1
261.09070	0.8
264.07730	0.8
265.08600	0.6
265.12125	1.0
268.10907	0.7
269.11691	32.7
270.11960	2.3
279.10132	13.7
279.13208	0.7
280.10455	0.9
283.09616	1.2
283.13309	2.0
283.16721	0.9
293.07892	0.5
297.11182	66.1
298.11526	3.8
311.09274	0.5
311.12747	1.7
311.16382	0.6
329.06448	0.7
329.09903	1.2
329.13782	17.4
329.17255	1.1
330.14075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1744
Annotation	Triptoquinone A
Peak:m/z	Relative Intensity
50.38391	0.7
55.05510	5.4
63.19439	0.8
67.05497	17.4
69.03393	1.3
69.07062	3.6
69.96144	2.6
72.12065	0.8
79.05489	3.2
81.03397	1.7
81.07049	11.5
83.04977	4.3
83.08604	2.6
83.16636	0.8
87.04470	2.0
91.05475	3.5
93.07050	5.0
95.04945	2.5
95.08595	12.1
97.06509	2.4
97.10158	1.3
98.98455	92.4
105.06439	0.8
105.06993	4.7
107.08614	4.8
109.10144	52.8
110.10529	1.1
116.99469	2.4
117.07021	2.0
119.08559	1.9
121.10139	1.7
123.08041	1.8
131.08545	1.7
133.06468	3.7
133.10103	2.2
141.06981	2.0
143.08517	2.0
145.06464	3.7
145.10110	2.1
149.05994	1.1
151.03938	1.6
151.07539	5.7
151.11162	2.8
153.07108	0.9
155.07394	1.0
155.08470	4.3
157.06516	0.9
157.10143	0.8
159.08029	3.6
161.05960	4.8
163.07495	2.8
165.06902	0.9
167.08600	1.5
169.06474	1.1
169.10103	2.2
171.08032	3.4
173.06012	2.3
173.09634	2.3
174.99171	6.0
175.07567	1.1
176.98927	2.3
177.05457	1.3
179.07018	32.3
181.10175	1.0
183.06596	0.8
183.08025	5.4
183.11598	1.2
185.09608	2.9
187.07544	5.2
187.11205	1.0
189.05443	1.7
189.09024	1.3
191.07010	16.0
191.08669	1.3
193.08530	5.0
195.08057	2.2
195.11613	1.1
197.05994	1.7
197.09586	4.3
199.07555	5.5
199.11179	2.6
201.05428	1.2
201.09074	6.0
203.06998	8.3
203.10709	1.0
205.04982	1.6
205.08566	22.4
207.06497	43.8
207.11743	1.1
208.06853	1.8
209.09601	2.7
211.07642	4.0
211.11168	3.2
212.08371	1.0
212.55453	1.0
213.09062	5.9
214.06306	1.3
215.06976	2.9
215.10678	3.7
216.07748	2.7
217.08571	8.8
219.06520	3.7
219.10080	8.4
221.08014	1.4
223.07553	1.6
223.11198	2.1
224.08261	1.1
225.09068	4.5
225.12579	2.2
227.10623	4.0
229.08556	16.8
229.12161	1.3
230.09254	3.1
231.10094	9.3
233.08046	2.0
233.11720	1.7
235.09705	2.6
237.09087	3.4
238.09776	1.6
238.13611	1.3
239.10680	5.1
241.08530	2.4
241.12206	1.0
243.10211	7.6
244.10918	2.3
245.08109	1.1
245.11740	4.8
247.09616	2.6
251.10571	5.3
253.12129	2.7
253.15901	5.8
255.10168	3.8
256.07181	0.9
256.10959	4.5
257.11639	5.8
259.09515	1.6
261.11142	5.9
265.12192	1.9
265.15771	4.3
266.12756	1.9
267.13824	1.7
268.07269	3.6
268.10699	1.0
268.14523	1.0
269.11652	3.2
270.12527	2.1
271.13181	1.8
273.14737	2.6
277.12100	1.4
281.11935	1.4
281.15256	8.2
282.12616	1.2
283.13275	2.6
283.16907	6.3
284.13986	2.4
285.14816	3.3
287.16397	1.7
293.15302	6.1
295.13248	5.8
296.06857	2.0
296.13879	1.3
297.11163	2.1
299.16388	36.1
300.16766	2.2
301.17935	11.6
311.16333	14.1
312.16754	1.5
329.10153	6.0
329.17419	100.0
330.17703	7.9
330.29929	3.1
330.33551	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1747
Annotation	Juglanin B
Peak:m/z	Relative Intensity
55.05507	1.0
62.99059	0.7
63.48121	0.6
67.05505	0.8
69.07064	1.1
70.06576	0.7
72.53098	0.6
82.48558	0.6
88.07573	0.8
93.07039	0.8
98.98463	100.0
100.98889	1.1
104.99265	1.6
116.99511	2.9
129.01823	0.7
132.28857	0.6
140.01042	1.0
147.08347	1.0
155.08528	0.7
165.06998	0.9
166.07686	0.7
171.08020	1.3
174.99190	7.5
176.98895	3.1
179.08466	0.7
183.08060	1.0
185.09671	0.6
191.08473	1.2
193.10138	1.5
194.10883	0.7
195.07957	0.7
197.09671	1.4
199.07536	1.9
203.08730	0.7
204.09402	0.7
205.14064	3.2
206.10892	0.8
207.07997	2.4
207.11649	1.2
208.12463	0.7
209.09572	1.9
210.10368	0.8
211.07616	0.9
211.11092	1.1
213.09166	1.1
218.10762	0.9
220.12323	0.7
221.09488	2.0
222.10225	0.8
223.07378	0.9
223.11154	1.0
225.08963	0.8
225.12666	1.0
227.07065	1.1
233.09517	0.7
233.13158	1.0
235.07535	4.5
235.11156	3.3
235.14850	0.6
236.11818	0.6
237.09058	2.6
238.09843	1.7
239.06929	0.8
239.10602	1.5
239.14365	0.6
241.12277	1.2
246.10402	0.8
247.11255	1.9
249.09058	3.1
250.09773	2.1
250.13655	1.0
250.99893	0.9
251.10603	3.4
251.14259	2.3
252.11128	0.9
253.08562	4.2
253.12190	3.5
254.09236	1.6
254.12845	0.8
255.10080	2.4
261.12689	1.3
262.13544	0.8
263.10590	5.2
263.32883	0.6
264.11389	2.1
265.12219	4.6
265.15762	1.0
267.10211	3.9
268.10928	7.1
269.11761	4.8
269.15070	3.9
270.12427	1.9
278.12961	1.9
279.13745	5.5
280.14569	8.5
281.11649	4.7
281.14865	1.2
282.12393	3.6
283.16791	2.8
293.15387	3.9
296.14081	7.4
297.14774	3.1
299.16232	1.3
311.16388	62.4
312.16699	3.5
328.32132	2.4
329.17413	28.8
329.27115	3.3
329.32315	2.6
330.17648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2109
Annotation	Longithorol C
Peak:m/z	Relative Intensity
52.14754	0.7
53.03954	0.7
54.45664	0.7
55.01876	0.9
55.05506	1.7
57.03430	1.2
57.07066	3.2
59.00513	0.7
59.05001	1.6
67.05499	3.3
69.03422	2.2
69.07047	1.8
69.68439	2.8
78.80087	0.7
79.05474	4.4
81.07047	9.7
83.04959	1.7
85.06539	1.4
88.07619	1.5
91.05477	9.3
93.07037	14.0
95.04958	15.8
95.08625	4.0
97.06521	2.0
98.98459	100.0
100.98914	1.2
105.04520	1.2
105.07024	8.5
107.04920	0.9
107.08591	7.4
109.06496	5.1
109.10147	1.3
111.04421	0.8
111.08080	1.2
116.99496	1.4
117.07008	2.4
117.50966	0.8
119.08565	7.7
121.06491	10.9
121.10130	6.3
123.08061	9.0
123.11693	0.9
129.07034	0.8
130.15674	0.8
131.08563	7.2
133.06454	1.9
133.10124	5.8
135.08044	5.5
135.11665	1.8
137.09665	1.2
139.07533	0.8
142.07785	1.6
143.08540	3.2
144.09338	1.0
145.10104	4.4
147.08003	5.7
147.11702	1.3
148.08838	1.6
149.05992	0.9
149.09596	6.1
151.07523	15.5
153.09125	3.8
155.08510	1.1
156.09421	0.8
157.10118	2.6
158.07138	0.9
159.08029	2.8
159.11687	3.0
161.09604	3.1
161.13310	1.2
165.09090	5.8
167.08556	0.9
169.10098	1.9
170.10829	1.0
171.11626	1.8
173.09673	1.3
173.13264	2.8
174.99219	7.9
175.11266	1.4
176.98918	3.5
177.09082	2.6
179.08511	1.3
179.10638	1.9
181.08611	1.6
183.11618	1.9
185.13213	1.3
187.11110	2.2
189.12691	5.4
191.10707	0.9
191.14281	3.0
193.10091	1.5
195.11632	1.8
197.09579	0.8
197.11702	2.0
200.44980	0.8
202.86497	0.8
203.14331	1.5
203.87735	0.9
207.13782	14.5
209.13275	0.9
209.15218	1.5
211.11162	1.7
212.11855	0.8
213.12738	0.9
221.15349	2.7
223.14890	1.0
227.14207	1.3
229.12285	1.0
229.73723	0.9
237.14709	1.1
251.18118	1.3
255.13803	2.7
273.14755	0.9
311.20093	1.9
329.21069	62.8
330.21274	4.2
330.29962	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1182
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
53.03935	0.8
56.13549	0.6
57.03431	1.2
58.58325	0.5
61.02917	1.7
65.03939	0.6
65.85861	0.6
67.05496	5.5
69.03424	4.4
69.21299	3.6
71.04983	0.7
73.02909	1.5
73.83703	0.6
79.01292	0.6
81.03408	1.5
85.02899	9.4
87.04466	1.1
94.06554	8.0
95.04947	0.7
97.02888	3.1
98.98458	100.0
100.98866	2.0
104.04959	0.6
106.06573	1.3
109.02880	1.0
116.99503	3.8
122.06026	16.4
125.17827	0.5
127.03894	2.8
128.83055	0.7
145.04973	1.3
150.05492	69.3
151.05872	2.1
152.07069	0.7
168.06549	86.4
169.06900	2.5
169.08264	0.7
174.99222	4.3
175.99667	1.2
176.98936	4.4
197.98624	0.7
252.99631	1.0
292.11133	0.7
312.10529	0.7
330.11813	29.7
331.12375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92894	2.1
73.26378	1.7
74.37839	1.5
94.43139	1.8
98.98458	100.0
100.98903	1.7
109.73003	1.6
116.99510	3.4
142.07755	2.7
155.08458	1.7
160.66374	1.5
165.07083	1.7
167.08604	2.7
169.10132	4.8
170.07263	1.9
174.99217	4.5
176.98894	6.0
179.08513	2.0
180.44260	1.5
181.10132	5.7
183.11664	3.7
195.08012	2.0
198.06743	6.1
209.09642	6.5
213.09079	56.3
214.09418	3.6
222.10406	1.8
223.14853	2.6
225.16425	3.4
232.23468	1.7
233.13164	2.0
236.11969	3.5
251.14307	21.7
289.27194	1.6
295.13208	2.8
313.10590	3.5
313.14313	72.2
314.14868	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	330.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60987	1.1
62.81591	1.0
69.07053	1.4
78.22515	1.0
83.04973	1.4
83.70274	1.0
90.14955	1.1
98.98463	100.0
100.98896	2.1
105.62126	1.2
116.99500	3.6
118.73555	1.1
169.06465	2.4
171.08144	1.3
174.99219	5.9
176.98882	6.8
179.08545	1.4
181.06387	1.2
195.08061	1.9
195.11761	1.2
197.06134	1.6
198.06328	1.4
209.09613	1.5
213.09048	2.0
223.14778	2.2
225.05492	4.0
251.14290	8.1
267.13788	5.2
277.12344	5.4
279.57169	1.3
284.13449	2.2
295.13272	17.8
312.12845	1.5
313.14304	13.8
330.09793	1.4
330.13870	2.0
330.19736	1.8
331.15375	3.0
331.18842	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83089	1.5
57.07055	5.7
57.71669	1.5
70.06570	4.6
71.08626	8.6
71.43137	1.6
81.07037	2.6
85.69392	1.6
86.08659	1.3
87.04469	9.0
88.07618	8.3
95.08571	2.6
98.98458	100.0
99.08099	5.7
102.09187	2.5
104.23385	1.4
105.06965	1.7
106.08669	2.1
116.99476	2.9
129.09065	2.5
135.11613	1.7
151.11148	3.2
155.66277	1.6
161.13261	2.5
163.11182	2.3
167.08649	1.9
167.33812	1.6
169.06497	2.1
174.99210	4.8
176.98949	5.9
177.06972	1.7
178.07741	1.5
179.08524	3.6
179.14206	3.5
181.06520	2.0
182.07057	1.7
193.10071	9.1
195.08025	8.2
197.09648	7.9
198.10049	1.6
200.20180	2.3
211.11142	1.8
215.10649	5.5
218.21077	7.9
219.08176	2.8
221.09596	19.3
229.12175	5.1
234.10538	2.4
235.11148	3.7
238.09879	8.1
239.10689	13.6
239.14198	11.6
241.12111	2.4
252.11017	2.5
253.12224	6.2
263.14261	9.1
266.12891	6.7
270.27719	2.2
277.21637	5.6
281.15353	40.5
282.15591	2.0
299.16406	13.5
312.12335	6.4
330.29895	10.7
330.33612	36.7
331.09308	3.2
331.18784	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	3.7
67.05499	4.9
70.06582	2.3
71.05001	3.6
71.08627	10.8
79.05493	2.8
79.41158	1.5
81.07071	3.8
87.04440	8.9
88.07635	6.9
91.05478	2.4
95.08607	4.5
98.98461	100.0
99.08079	8.1
105.07032	2.4
116.99487	3.3
137.98010	1.6
151.11168	4.5
153.06940	2.1
161.13329	2.2
163.11143	3.4
167.08600	2.7
169.06461	2.9
174.99266	3.8
176.98900	6.5
177.06958	1.7
178.07823	3.3
179.08575	5.8
179.14322	5.4
180.78296	1.6
181.06436	2.8
181.10089	2.0
193.10107	11.1
195.08040	8.9
196.08838	3.1
197.09604	13.2
200.20079	2.0
203.08604	2.4
207.11681	2.0
211.07556	2.0
211.11140	3.2
213.12709	1.7
215.10687	7.2
216.80269	1.6
218.21167	3.5
219.08044	2.5
221.09627	21.4
224.08304	2.2
229.08609	2.2
229.12206	8.6
231.10286	2.3
234.10333	2.5
235.11266	2.1
237.12675	2.1
238.09911	12.2
239.10696	17.6
239.14240	14.2
253.12202	6.4
253.15990	2.1
257.11807	4.6
263.14301	13.2
266.12927	11.3
270.28064	2.0
277.21661	6.7
281.15320	58.0
282.15726	3.1
299.16415	19.7
312.12329	5.6
330.17538	2.3
330.29974	9.7
330.33704	15.4
331.09698	2.3
331.18900	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	330.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18400	1.8
56.74728	1.8
70.67737	4.3
78.61813	2.1
78.84395	2.7
81.07030	2.3
98.98457	19.7
106.98152	1.8
179.08438	2.8
193.10150	3.4
209.09621	2.9
220.12450	2.7
221.09612	9.1
222.10217	3.4
223.11098	2.4
233.09781	3.5
235.14842	3.4
237.09142	2.3
238.09869	11.2
239.10526	11.5
240.11263	2.4
248.11989	5.3
251.14227	4.2
252.11467	10.8
253.12183	4.2
263.14368	9.4
266.12839	10.3
278.92755	2.1
281.15341	100.0
282.15662	4.6
299.16373	46.2
299.19540	3.2
313.14270	9.3
330.30121	3.3
330.33621	4.3
349.24149	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05515	2.5
57.03422	2.6
57.07069	9.5
58.06590	5.1
63.46918	0.9
67.05515	5.3
69.07042	3.6
70.06574	4.6
71.08622	7.1
72.08149	18.3
79.05473	2.5
81.07073	5.6
83.08598	2.0
87.04456	11.8
88.07621	6.0
91.05460	2.0
93.07028	3.2
95.04967	1.4
95.08572	2.5
98.98460	70.0
100.98877	1.5
101.06012	12.0
102.09200	2.8
105.06992	1.5
107.08572	1.5
109.10133	3.2
109.52850	1.0
116.99448	1.7
119.08569	1.9
133.10135	1.2
147.11620	1.4
156.17451	16.5
170.19063	5.8
173.11639	2.8
174.06595	1.1
174.99190	2.4
176.98914	3.2
185.24142	1.1
213.08963	2.0
231.10020	1.3
256.26385	5.7
268.29938	30.4
270.27783	3.0
277.21558	2.2
281.15350	5.2
283.16748	1.3
299.16330	2.4
302.18158	1.1
330.17816	8.6
330.29898	21.5
330.33575	100.0
331.09390	16.6
331.18567	1.8
331.33960	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20643	1.6
55.05501	8.2
57.07058	2.9
60.04516	4.1
63.86377	1.8
67.05490	11.6
69.07060	5.0
70.06577	3.8
71.04984	2.1
71.08624	3.5
71.42295	1.9
79.05480	4.1
79.86686	1.8
81.03413	1.8
81.07064	6.7
83.05000	2.9
83.08611	2.8
85.11913	1.5
87.04456	16.9
88.07631	5.7
91.05465	4.2
93.07024	5.3
95.08602	7.1
97.06522	1.8
98.98463	100.0
101.06022	5.4
102.09195	2.8
107.08586	4.4
109.10149	5.0
116.99465	3.2
119.08602	1.8
124.91696	1.7
134.57268	1.7
139.11159	2.3
172.13347	2.1
172.46278	2.0
173.11734	5.4
174.99187	2.9
176.98854	4.2
184.57504	1.8
189.11229	2.9
191.46402	1.8
197.46039	1.8
268.29980	4.6
270.27847	4.3
277.21674	4.8
330.26208	2.1
330.29950	23.6
330.33676	14.4
331.18723	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
55.05506	29.1
57.07069	3.9
67.05492	10.5
69.03414	4.8
69.07069	5.2
69.73946	4.6
71.08622	3.5
79.05484	8.9
81.07043	8.9
83.05013	3.4
83.08616	21.2
87.04440	4.8
88.07613	3.5
93.07040	5.1
95.04939	2.0
95.08610	2.6
97.10162	35.9
98.98463	100.0
99.08072	2.4
100.98887	3.2
105.07024	2.4
107.08575	13.1
107.41232	1.6
109.10175	4.0
112.60965	1.4
122.91222	1.4
124.70039	1.7
125.09624	36.0
126.12743	1.8
135.08069	2.4
135.11600	1.6
143.10689	2.7
147.11609	2.2
151.11148	4.4
153.09113	3.5
156.77649	1.7
161.13226	3.2
171.10135	5.7
172.50122	1.3
174.99144	3.2
176.98895	5.1
189.11208	64.3
216.10970	1.9
218.21078	2.2
259.20673	2.8
277.21591	29.0
281.15341	5.3
284.13593	1.9
295.22614	5.4
330.13965	2.8
330.26413	2.0
330.29904	7.2
330.33615	11.2
331.09305	8.1
331.18848	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3364
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
55.05518	0.5
56.05019	0.2
57.07071	8.5
58.06593	0.9
58.07398	0.1
60.04516	0.1
62.06071	0.5
68.05012	0.3
69.07060	0.3
70.06584	14.6
70.58302	0.2
71.08625	3.5
72.08146	0.1
74.06103	0.2
83.04977	0.3
83.08605	0.1
85.10171	1.3
86.06047	0.2
87.04468	0.1
88.07619	17.9
89.07989	0.2
91.05481	0.2
98.98447	1.2
102.09168	4.9
104.07133	0.1
105.07066	0.1
106.08654	10.3
107.09026	0.1
124.23000	0.1
268.29926	0.5
283.65387	0.1
286.31015	0.9
312.32556	6.5
313.17719	0.3
313.32831	0.5
330.33606	100.0
331.18686	0.5
331.33948	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	331.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34660	1.6
56.03333	1.6
56.96548	8.0
69.83244	3.2
70.98712	1.7
83.45632	1.8
98.97594	7.2
98.98457	100.0
110.97489	2.4
116.99476	2.3
143.03851	2.3
152.98569	1.7
158.99660	2.6
174.99258	4.7
176.98932	9.7
189.88635	1.7
192.88275	1.8
200.97110	1.6
219.01735	3.3
237.02834	5.2
252.99846	1.7
331.07761	66.6
331.13367	8.2
332.07861	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96285	1.0
56.96559	13.8
60.98431	0.8
70.71877	1.1
70.98090	1.7
84.08125	1.5
84.96030	2.0
98.97571	22.1
98.98444	100.0
100.98830	1.6
108.08086	1.7
110.97543	6.5
116.98597	11.0
116.99475	2.4
120.15655	0.8
124.61435	0.7
124.99089	1.0
128.98615	5.1
134.99612	2.2
137.05872	1.1
140.98535	1.4
143.00131	2.8
143.03769	3.6
144.98055	1.1
146.99567	2.0
152.07060	1.3
152.98567	2.5
157.01700	0.9
158.99643	5.0
159.03230	0.9
161.01219	2.3
161.04820	4.3
162.99147	1.3
170.99632	2.6
172.94405	1.0
174.99232	4.5
176.98920	7.1
177.00691	5.3
185.04919	1.5
187.02713	3.4
189.00717	1.5
201.00537	1.5
203.05899	1.9
205.03775	4.7
219.01753	7.4
227.06017	0.8
229.03647	1.8
237.02824	9.7
247.04915	1.0
287.08041	3.8
305.09122	7.6
308.87695	0.8
312.66656	1.0
331.07227	44.6
331.13315	8.7
332.07666	1.1
349.07996	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	331.081
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
61.75425	0.2
66.49995	0.2
69.27338	1.2
84.97173	0.2
92.02597	0.2
95.01318	0.3
95.04944	0.2
98.22719	0.5
98.98447	1.5
108.92263	0.2
110.03668	1.7
121.02834	0.5
122.03676	0.4
123.00747	0.3
137.02325	5.0
137.03349	0.3
150.03087	1.6
151.03874	0.7
158.68596	0.2
167.03340	1.6
179.03345	0.3
184.64211	0.2
199.03893	0.9
207.02856	0.5
213.05414	0.5
214.06223	0.6
217.04929	0.8
227.03384	0.8
229.04999	0.2
231.02826	0.3
231.06538	0.3
234.32689	0.2
241.04849	0.3
242.05707	2.5
243.06583	1.3
245.04434	2.1
257.04306	0.3
259.05942	1.5
270.05276	0.8
271.05878	1.6
272.03159	0.4
273.03888	11.5
274.04184	0.8
286.04694	0.9
287.02325	0.4
287.05466	6.6
288.06210	4.6
289.06570	0.4
299.05432	1.2
300.02530	0.5
315.04965	15.0
316.05731	65.9
317.06082	3.9
331.08069	100.0
332.08411	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	331.0812
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
50.50954	0.2
69.03421	0.5
69.21710	0.6
69.22121	0.5
70.03831	0.2
88.74049	0.2
93.03403	0.5
98.98462	1.9
106.04099	0.2
107.04990	0.2
107.45326	0.2
108.02076	0.9
118.04181	0.2
121.02855	5.5
129.06995	0.4
130.07785	0.4
134.03612	0.4
141.06941	0.2
146.03633	0.3
157.06461	0.8
158.07272	2.5
168.05687	0.6
169.06458	0.6
171.04388	0.7
174.03119	0.8
176.98935	0.2
184.05263	0.2
185.05971	1.6
186.06744	2.1
191.03212	0.2
196.05171	0.5
197.05980	1.9
199.03882	0.5
202.02568	0.6
213.05447	5.2
214.06218	2.2
220.03658	0.4
241.04858	0.9
242.05722	38.9
243.06079	1.9
253.04930	0.9
258.05228	0.3
268.03613	0.3
269.04437	0.9
270.05209	32.2
271.05557	1.4
273.03949	0.9
281.04480	0.6
285.03909	0.5
286.04767	1.0
287.05426	1.9
288.06421	0.2
297.03964	0.6
298.04694	21.9
299.05048	1.6
301.03207	0.3
315.04965	3.8
316.05750	14.2
317.06061	0.8
331.08081	100.0
332.08420	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	331.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40702	1.0
55.05508	11.8
57.03429	5.8
57.07072	6.6
69.07071	0.9
69.86218	2.9
70.06593	7.3
71.08650	2.5
72.89397	0.9
83.08598	7.9
84.73695	0.9
87.04462	23.5
88.04808	2.0
88.07627	15.2
95.08598	1.0
98.23331	1.2
98.98462	74.3
100.98884	2.5
101.06015	34.0
102.06343	1.7
102.09171	3.5
116.99493	1.4
123.11675	2.2
143.08554	1.2
157.10127	1.4
173.09663	1.1
174.99271	2.2
176.98842	4.6
189.09108	1.5
193.04918	1.4
197.09659	1.0
213.09172	2.7
215.10553	2.4
217.08693	0.9
220.37617	1.0
221.66467	1.0
228.07867	2.4
231.10156	2.0
243.10191	7.3
256.26349	11.3
257.11813	1.4
257.26718	3.4
261.11243	4.6
270.27905	4.0
285.18442	1.8
295.16907	1.7
313.18018	5.5
330.29984	37.8
331.09393	100.0
331.18799	18.1
331.30319	17.2
331.34250	1.5
332.09644	5.9
332.31433	1.3
349.10626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0938
Annotation	Phe-Gly-OH
Peak:m/z	Relative Intensity
54.60629	0.3
55.05499	0.5
57.07074	0.4
57.81022	0.4
81.07047	0.4
87.04454	0.8
88.07613	0.9
91.05478	3.2
95.08620	0.7
98.98456	13.2
100.98868	0.4
103.89775	0.4
106.08681	0.5
123.11671	0.3
124.02160	0.4
134.46156	0.4
174.99217	0.6
176.98898	0.6
198.12753	0.4
201.09023	0.4
213.09143	0.4
215.10739	2.0
284.29501	0.6
315.15948	1.4
330.30045	0.9
330.33737	1.9
331.09372	100.0
331.18686	2.2
331.33771	0.6
332.09698	7.3
332.31479	0.5
349.10342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.102
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.79197	0.4
69.03421	0.4
70.57349	0.6
70.57700	0.5
72.08134	0.4
84.08138	0.8
85.02867	0.5
98.98457	100.0
100.98887	2.4
108.08099	0.9
110.07139	0.7
111.04395	0.6
116.98679	0.6
116.99478	3.4
117.03330	0.7
125.05968	0.4
145.02858	1.6
147.04318	0.4
151.07570	0.6
152.07079	0.6
156.07668	0.6
169.05002	1.0
174.99203	3.5
176.98894	6.8
177.05484	2.6
252.99800	1.2
267.06625	0.4
331.10205	0.6
331.13525	2.9
331.17294	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	331.1537
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.01395	1.1
55.01862	1.6
65.03934	1.6
67.05509	1.7
69.03427	1.5
69.14951	5.3
79.05477	4.0
81.07043	2.9
91.05472	31.0
94.04149	3.2
95.04963	6.9
98.23405	3.1
98.98457	49.9
98.99099	2.8
103.05457	4.6
105.07023	5.7
107.04960	8.3
108.28383	1.5
109.06510	6.0
115.05482	1.5
117.07095	1.5
119.04934	22.7
121.06491	6.3
122.03625	9.9
123.04430	3.4
128.06219	4.7
129.06987	16.1
131.04941	6.8
133.06516	1.8
135.04437	2.1
135.08046	7.2
136.05174	3.2
137.02379	1.8
137.05962	77.5
138.06355	1.5
143.04900	1.9
143.08492	1.8
145.06470	4.4
147.04414	2.1
147.07982	1.5
148.05264	1.6
149.05963	13.4
151.03897	3.8
151.07524	100.0
152.06212	4.6
152.07820	1.7
152.77657	1.1
155.06047	2.0
157.06488	13.9
161.05956	12.5
161.09639	3.3
163.03859	2.1
163.07529	21.7
165.06985	15.3
165.09039	7.1
166.07741	3.3
167.08524	17.3
169.06474	2.8
174.06781	9.1
175.07538	5.8
176.19728	1.3
176.98897	3.3
177.07039	1.3
177.09128	4.0
178.07721	8.0
179.08507	1.8
181.06493	5.4
181.10089	1.2
182.07291	5.0
183.07976	2.2
184.08826	1.4
185.81268	1.3
187.07475	2.0
189.09082	33.6
189.10812	1.7
191.08698	1.7
192.09325	1.8
193.06511	7.2
193.08563	1.6
193.10109	9.8
194.07242	3.3
195.08047	24.6
195.85057	1.3
196.08701	1.3
197.06006	6.6
203.08548	2.7
205.06511	1.5
206.07300	2.5
207.08179	1.6
207.10167	3.8
209.05951	3.0
209.09587	4.7
210.06711	11.9
211.07558	5.0
212.08243	3.3
221.05984	11.0
221.09546	11.5
222.06795	2.2
222.10239	1.5
223.07564	11.8
224.08264	4.8
225.05463	3.2
225.09009	10.7
227.07086	2.8
227.10638	29.8
228.11035	2.0
231.08025	2.2
237.05496	2.1
237.09062	3.2
238.06177	7.4
238.09819	2.1
239.06917	3.6
240.07817	2.6
241.08614	1.9
249.09215	7.9
252.07845	2.5
253.08566	12.9
253.12209	14.3
254.09102	1.8
255.06454	2.2
255.10127	32.3
256.07217	1.9
256.10681	2.3
267.06732	2.7
267.10217	7.7
269.08087	5.0
269.11676	3.0
272.10352	2.4
281.11679	5.5
284.10275	2.2
285.08142	2.4
285.11191	20.9
286.11462	1.5
287.12756	44.0
288.13144	1.7
298.11908	2.4
299.12668	1.6
313.14340	13.4
331.08179	5.1
331.15335	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.8
57.16013	1.6
65.03947	2.4
67.05491	1.8
69.21957	6.0
69.22369	2.9
71.04971	2.7
79.05471	4.7
79.88258	1.4
81.07040	1.8
87.77579	1.7
91.05473	29.8
93.07014	2.2
94.04171	2.5
95.04954	8.9
98.98457	100.0
100.98897	2.0
103.05456	3.5
105.07033	5.3
107.04968	8.3
109.06510	3.1
111.04453	1.9
115.05476	2.5
117.07003	2.1
119.04939	21.8
121.06492	6.0
122.03623	6.8
123.04424	18.9
128.06227	5.4
129.06984	14.8
131.04932	5.8
133.06476	2.8
135.08052	6.9
136.05208	3.1
137.02359	14.6
137.03426	2.5
137.05960	69.7
137.09705	1.8
145.06505	3.8
147.04375	9.0
148.05229	2.4
149.05977	10.9
151.03865	3.3
151.07527	87.0
152.06210	3.9
152.07878	2.6
153.07031	3.8
155.08582	1.8
157.06497	9.8
158.07326	1.7
161.05960	8.4
161.09663	3.2
163.07545	20.7
165.06967	16.3
165.09109	3.6
166.07762	3.2
167.08525	15.6
169.06482	3.8
174.06787	7.6
174.99245	3.2
175.07573	3.7
176.98917	6.7
177.05467	1.8
177.06956	2.3
177.09126	2.3
178.07736	7.6
179.08530	4.8
181.06473	5.2
182.07240	5.1
183.08017	5.3
185.05907	2.6
189.09067	28.7
191.08522	2.1
192.09419	2.9
193.06476	9.6
193.10068	8.4
194.07208	1.9
195.08003	30.2
196.08701	2.3
197.05965	10.9
200.08382	3.0
202.07693	2.0
203.08510	3.3
205.06441	3.6
207.08115	2.8
207.10051	4.0
207.11801	2.5
208.08861	2.0
209.05905	3.6
209.09576	4.6
210.06659	12.9
211.07545	11.5
212.08347	4.5
213.08969	3.3
215.06911	2.8
219.08035	3.4
220.08800	3.5
221.05980	15.4
221.09540	12.4
222.06735	2.0
223.07547	14.8
224.08267	4.9
225.05469	4.7
225.09079	9.0
227.07118	3.4
227.10640	24.6
235.07541	2.6
235.11206	4.9
237.09137	4.0
238.06253	9.2
239.07011	14.9
240.07669	2.9
241.08569	2.0
242.05717	2.9
249.05489	4.2
249.09096	7.6
249.12857	3.1
251.07144	2.6
253.05006	2.8
253.08589	13.0
253.12206	14.2
254.09093	2.9
255.06458	7.4
255.10165	28.9
256.07288	9.6
256.10712	2.0
257.08017	8.2
267.06519	17.9
267.10150	7.1
269.08090	3.7
270.08768	3.6
271.05972	4.5
271.10745	1.6
272.10382	2.4
281.11560	3.8
285.07581	15.0
285.11224	17.4
287.12756	37.3
295.05942	2.4
295.13269	2.8
313.06995	5.8
313.11215	2.5
313.14362	23.0
331.08240	34.9
331.12457	6.9
331.15369	9.2
332.08398	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Horiolide
Peak:m/z	Relative Intensity
55.95981	0.9
63.87351	0.8
67.05521	1.1
69.21998	4.5
76.82913	1.0
95.08586	1.1
98.23524	1.9
98.98464	100.0
100.98892	2.7
116.99504	3.5
129.06944	1.1
153.05556	1.1
155.04736	1.1
158.42645	0.9
165.07088	1.3
174.99207	3.4
176.98889	6.8
179.08493	1.1
181.10115	2.2
183.11670	1.3
189.09062	1.1
190.11769	1.0
193.10127	2.7
199.07593	1.0
199.63785	0.9
207.08031	1.2
209.09674	3.0
213.09125	2.1
213.12738	1.2
215.10670	4.3
217.08646	1.5
218.10738	0.9
221.09488	1.6
223.14914	1.5
223.79590	0.9
225.16338	1.1
236.11757	1.3
245.11688	1.3
251.14305	14.5
252.14384	1.2
257.11670	1.2
267.13742	1.4
269.15543	1.2
295.13330	1.8
313.14432	9.9
313.17850	1.9
314.14703	1.2
331.08102	1.0
331.18967	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.8
57.16013	1.6
65.03947	2.4
67.05491	1.8
69.21957	6.0
69.22369	2.9
71.04971	2.7
79.05471	4.7
79.88258	1.4
81.07040	1.8
87.77579	1.7
91.05473	29.8
93.07014	2.2
94.04171	2.5
95.04954	8.9
98.98457	100.0
100.98897	2.0
103.05456	3.5
105.07033	5.3
107.04968	8.3
109.06510	3.1
111.04453	1.9
115.05476	2.5
117.07003	2.1
119.04939	21.8
121.06492	6.0
122.03623	6.8
123.04424	18.9
128.06227	5.4
129.06984	14.8
131.04932	5.8
133.06476	2.8
135.08052	6.9
136.05208	3.1
137.02359	14.6
137.03426	2.5
137.05960	69.7
137.09705	1.8
145.06505	3.8
147.04375	9.0
148.05229	2.4
149.05977	10.9
151.03865	3.3
151.07527	87.0
152.06210	3.9
152.07878	2.6
153.07031	3.8
155.08582	1.8
157.06497	9.8
158.07326	1.7
161.05960	8.4
161.09663	3.2
163.07545	20.7
165.06967	16.3
165.09109	3.6
166.07762	3.2
167.08525	15.6
169.06482	3.8
174.06787	7.6
174.99245	3.2
175.07573	3.7
176.98917	6.7
177.05467	1.8
177.06956	2.3
177.09126	2.3
178.07736	7.6
179.08530	4.8
181.06473	5.2
182.07240	5.1
183.08017	5.3
185.05907	2.6
189.09067	28.7
191.08522	2.1
192.09419	2.9
193.06476	9.6
193.10068	8.4
194.07208	1.9
195.08003	30.2
196.08701	2.3
197.05965	10.9
200.08382	3.0
202.07693	2.0
203.08510	3.3
205.06441	3.6
207.08115	2.8
207.10051	4.0
207.11801	2.5
208.08861	2.0
209.05905	3.6
209.09576	4.6
210.06659	12.9
211.07545	11.5
212.08347	4.5
213.08969	3.3
215.06911	2.8
219.08035	3.4
220.08800	3.5
221.05980	15.4
221.09540	12.4
222.06735	2.0
223.07547	14.8
224.08267	4.9
225.05469	4.7
225.09079	9.0
227.07118	3.4
227.10640	24.6
235.07541	2.6
235.11206	4.9
237.09137	4.0
238.06253	9.2
239.07011	14.9
240.07669	2.9
241.08569	2.0
242.05717	2.9
249.05489	4.2
249.09096	7.6
249.12857	3.1
251.07144	2.6
253.05006	2.8
253.08589	13.0
253.12206	14.2
254.09093	2.9
255.06458	7.4
255.10165	28.9
256.07288	9.6
256.10712	2.0
257.08017	8.2
267.06519	17.9
267.10150	7.1
269.08090	3.7
270.08768	3.6
271.05972	4.5
271.10745	1.6
272.10382	2.4
281.11560	3.8
285.07581	15.0
285.11224	17.4
287.12756	37.3
295.05942	2.4
295.13269	2.8
313.06995	5.8
313.11215	2.5
313.14362	23.0
331.08240	34.9
331.12457	6.9
331.15369	9.2
332.08398	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Gibberellin A109
Peak:m/z	Relative Intensity
55.05511	2.2
69.07070	1.6
71.04986	2.1
95.08595	1.4
98.98459	100.0
99.08122	1.3
100.98894	2.1
111.49169	0.8
116.99477	2.5
123.04451	1.7
128.06244	1.6
129.06979	1.5
138.93155	0.9
141.06964	1.3
142.07813	1.0
143.08527	1.7
149.92879	0.8
153.07167	1.4
155.08572	2.0
157.06487	1.6
157.10117	1.3
159.08060	1.8
161.05989	2.1
163.07568	1.1
165.07001	2.5
166.07758	1.5
167.08580	2.9
169.06464	1.2
169.10118	1.8
171.07976	2.4
173.09602	1.3
174.99237	4.4
175.07515	2.2
176.98878	6.0
178.07835	2.3
179.08546	2.9
181.06429	1.0
181.10202	1.7
183.08067	5.9
184.08708	0.9
185.09647	3.1
187.07526	1.2
189.09091	7.5
191.08554	1.2
192.09344	2.8
193.10138	2.4
195.08055	8.3
197.06001	1.1
197.09641	3.1
197.75938	0.9
198.06837	1.7
199.07619	3.3
201.09126	3.9
202.07825	1.8
203.06976	12.3
203.08604	1.9
203.10490	1.0
205.10197	1.5
206.10973	2.4
207.08173	1.5
207.10014	1.7
207.11737	2.5
209.09566	4.5
211.07578	5.1
213.09085	23.5
214.06149	1.1
215.10699	2.9
217.08546	5.3
217.12221	2.3
219.08046	2.4
220.08784	4.1
221.09552	2.7
221.13216	2.6
222.10161	1.1
223.11169	2.2
224.11900	1.9
225.09079	3.6
225.12755	3.3
227.10654	1.9
229.08601	3.6
229.12128	1.9
231.09856	5.3
231.12131	1.3
233.09656	1.2
234.10364	2.1
235.07524	1.2
235.11205	2.6
236.08266	1.7
237.09096	3.8
239.10666	2.9
239.14366	2.2
241.12254	2.6
243.10216	2.7
245.11714	35.8
246.12039	1.4
248.08304	4.3
249.09003	3.0
249.12762	12.1
250.13031	1.2
251.10698	4.4
252.11423	2.4
253.12216	10.0
255.10182	3.4
255.13826	3.4
259.11084	1.4
261.09119	1.0
262.09906	2.1
265.12292	2.0
265.15860	1.0
266.09396	2.4
267.10168	5.1
267.13803	14.0
268.14328	1.3
271.13223	1.1
277.12225	27.2
277.15344	1.9
278.12708	2.8
280.10883	8.4
281.11572	1.2
282.12570	2.5
283.13690	1.3
283.16891	18.7
284.17490	1.1
285.15271	1.4
285.18500	6.5
295.13297	39.2
295.16672	2.6
296.13702	2.8
301.18030	6.2
303.19574	3.7
313.14365	56.7
313.17932	8.2
314.14664	4.0
331.15338	31.8
331.19089	14.3
332.15753	2.1
332.19214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18562	0.9
55.01862	2.0
67.05486	1.7
69.03410	1.3
70.98871	1.0
79.05483	2.1
79.83372	0.9
81.07061	1.1
91.05469	19.1
91.05991	1.7
94.04182	1.7
95.04930	4.6
98.98455	100.0
100.98862	1.9
103.05451	3.5
103.58512	0.8
105.07018	4.0
107.04956	5.0
107.08561	1.3
109.06516	3.3
111.04465	1.0
111.45152	1.1
115.05451	1.5
116.99512	1.7
117.07021	1.1
119.04931	10.8
121.06496	4.5
122.03661	4.3
123.08067	1.4
123.11741	1.0
128.06227	3.3
129.06989	11.3
131.04921	4.1
131.08543	1.9
133.06462	1.8
133.10059	1.3
135.08047	3.6
136.05206	2.7
137.05960	46.5
143.04956	1.0
145.06485	2.3
146.03639	1.2
149.05977	7.4
150.05478	5.0
151.03984	2.0
151.07526	54.8
152.06125	2.1
152.07961	1.2
153.07007	1.1
157.06471	7.6
161.05965	9.5
161.09685	2.2
162.05472	1.8
163.03889	1.4
163.07512	13.3
165.06970	8.0
165.09094	3.8
166.04999	3.2
166.07744	2.0
167.08527	11.7
169.06468	1.6
173.05968	1.4
174.06746	3.9
174.99258	4.6
175.07530	2.5
175.15463	1.1
175.29131	0.9
176.98927	8.0
177.06964	1.6
178.07736	4.3
179.08395	1.3
181.06415	3.0
182.07257	2.2
189.09079	20.8
190.09555	1.2
192.09354	1.1
193.06541	5.1
193.10098	4.9
194.07326	1.7
195.08038	14.8
197.05913	4.5
205.06436	2.3
207.08258	1.0
207.10185	2.9
208.06003	1.8
209.05942	1.6
209.09586	1.6
210.06776	6.5
211.07509	2.6
212.08313	3.4
213.08813	1.1
221.05948	5.9
221.09497	6.0
223.07523	6.4
224.08249	3.0
225.05634	1.4
225.08994	6.1
227.06975	1.8
227.10625	16.7
237.05298	1.1
237.09177	2.8
238.06210	3.1
239.06981	2.8
239.10451	1.2
240.07883	1.6
241.08652	2.1
241.12267	1.0
243.11224	5.9
249.09059	4.1
252.07523	1.2
253.08504	9.3
253.12157	8.4
255.10118	18.7
256.07654	1.0
256.10559	1.3
267.06595	1.7
267.10126	2.2
269.08081	2.2
270.08920	1.4
271.10040	1.9
272.10300	1.9
281.11667	2.6
285.07761	1.6
285.11108	11.1
287.12750	23.4
303.13068	1.3
313.11163	1.2
313.14532	6.3
316.09021	1.9
331.07800	1.5
331.11481	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	331.1538
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.56242	0.8
55.05502	0.8
65.03927	1.0
65.21639	0.8
67.05476	0.8
69.03417	1.2
69.07069	0.9
71.43079	1.0
76.85959	0.7
79.05493	2.0
81.07066	1.9
83.04935	0.9
89.08945	0.8
91.05479	17.0
93.07040	1.2
94.04174	1.7
95.01820	0.9
95.04962	3.8
95.08584	1.9
98.98463	100.0
100.98871	2.4
103.05447	3.1
105.07024	3.0
107.04950	5.6
109.06513	3.0
109.10148	0.8
111.04490	1.1
115.05459	1.2
116.99501	3.7
117.03374	1.1
117.06985	1.5
119.04924	10.3
121.06491	3.5
122.03678	4.6
123.04438	2.1
123.08025	0.8
125.26603	0.8
128.06200	2.2
129.07005	8.1
131.04945	4.0
131.08548	1.0
133.06497	1.9
135.04454	1.1
135.08046	3.0
136.05188	2.6
137.02339	1.6
137.05974	36.9
141.06985	0.9
142.07715	1.0
143.08524	1.0
145.06467	2.5
146.07315	1.5
147.04439	1.5
147.08076	1.1
149.05981	6.4
150.06699	1.3
151.03883	2.9
151.07533	41.5
152.06210	2.6
152.07848	1.4
153.06969	1.9
157.06468	5.6
159.08012	1.3
161.05972	13.3
161.09596	3.2
163.03920	2.3
163.07533	13.0
165.06976	7.0
165.09140	1.9
166.07672	2.0
167.08557	9.1
169.06450	1.3
169.10065	1.4
171.08109	2.3
173.05934	0.9
173.09688	0.9
174.06744	3.1
174.99265	4.6
175.07466	2.4
176.98904	7.2
177.06853	0.9
177.09073	2.4
178.07756	3.9
179.08487	1.6
181.06488	2.7
182.07193	2.9
183.07980	1.8
183.11681	0.9
187.07474	1.3
189.09099	21.5
192.09387	1.2
193.06462	2.7
193.10092	4.4
194.07298	1.9
195.08046	11.5
196.08636	1.7
197.05975	3.9
197.09647	1.6
199.07457	1.2
201.09047	1.6
203.08565	1.3
205.06526	1.0
205.08487	1.0
206.07295	1.5
207.08406	1.1
207.10036	4.3
209.05946	1.2
209.09607	2.3
210.06720	2.8
211.07404	2.2
212.08374	2.1
213.09079	4.6
219.08081	1.1
220.08687	1.1
221.06039	4.0
221.09593	6.3
222.10323	0.9
223.07530	4.8
224.08315	2.3
225.09038	6.7
226.09430	1.0
227.07120	1.3
227.10695	15.3
229.08638	1.1
231.10147	1.8
234.06613	1.0
235.11263	1.3
237.09103	1.6
238.06190	2.6
238.09889	1.3
239.07034	1.9
239.10625	2.5
240.07732	2.4
241.08600	1.4
241.12178	1.5
245.11769	1.2
249.09035	5.2
252.07808	1.4
252.99730	1.6
253.08548	6.3
253.12219	8.6
255.06595	2.0
255.10159	15.7
257.11771	1.4
266.09485	1.0
267.10220	3.3
267.13751	1.0
269.08087	2.4
271.13324	1.2
272.10400	1.0
281.11682	2.9
284.10400	1.5
285.07816	2.1
285.11185	11.9
285.14493	2.2
285.18390	1.7
287.12741	20.2
288.13223	2.6
295.09644	1.1
295.16873	1.4
299.12817	0.9
301.14331	1.3
313.14267	8.6
313.17957	2.5
331.07944	2.4
331.11707	1.6
331.15363	13.3
331.18817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.82378	1.2
55.01875	1.4
55.05511	8.1
65.03930	1.5
67.05489	2.3
69.03401	3.1
69.17239	8.4
69.66244	1.3
79.05479	3.1
81.03394	2.7
81.07040	4.9
83.04975	18.1
85.02886	1.4
87.00829	1.5
91.04934	2.6
91.05470	31.5
93.07012	2.0
94.04182	3.5
95.04960	7.7
95.08633	1.5
98.98457	100.0
100.98882	4.1
103.05466	8.1
105.07050	6.4
107.04946	8.1
108.34464	1.4
109.02843	3.8
109.06503	5.4
111.04440	2.3
111.08050	1.4
115.05453	1.8
116.99537	2.4
117.06996	2.9
119.04929	21.3
121.06503	8.6
122.03633	8.1
123.04414	6.0
127.03862	1.6
128.06206	5.0
128.46330	1.4
129.06985	16.9
131.04913	7.1
131.08553	3.0
133.06439	1.7
135.04399	2.4
135.07996	6.5
136.05161	3.8
137.02316	3.9
137.05962	73.5
138.06320	2.7
141.06953	2.0
145.06490	3.5
146.03607	3.2
147.04373	3.9
148.05208	1.4
149.05957	11.9
150.06763	1.8
151.03912	4.1
151.07526	85.9
152.06206	4.5
152.07787	2.3
153.06943	3.3
154.07814	1.6
157.06467	11.4
161.05966	18.5
161.09572	4.3
163.07530	19.0
164.08147	1.3
165.07002	16.2
165.09085	3.2
166.07722	3.1
167.08545	17.0
169.06483	2.0
169.10088	2.2
174.06827	6.8
174.99188	4.3
175.07521	3.2
176.98935	5.9
177.05420	1.4
177.09082	2.3
178.07780	7.0
179.08508	2.6
181.06438	5.5
181.10210	2.1
182.07253	5.2
183.07999	2.8
189.09087	28.9
191.10582	1.8
192.09270	2.6
193.06531	7.2
193.10085	8.9
194.07251	5.0
195.08032	29.5
196.08661	3.0
197.05946	5.7
197.09589	1.8
198.06688	1.6
199.11134	1.5
203.08521	2.7
205.06639	2.5
206.07149	1.9
207.08083	2.7
207.10077	3.2
209.05928	4.1
209.09590	5.0
210.06702	9.4
211.07457	6.3
212.08281	5.5
213.05556	1.3
213.09023	4.7
220.08887	2.9
221.05933	12.6
221.09552	9.3
223.07559	12.0
224.08344	5.3
225.05443	2.9
225.09128	9.9
227.07126	2.9
227.10654	29.7
228.11064	1.7
235.11215	2.1
237.05421	2.2
237.09152	2.0
238.06245	5.9
238.09933	1.5
239.07060	5.5
239.10687	1.7
240.07613	3.5
241.12268	1.7
249.09079	5.2
251.07025	2.4
252.07706	2.7
253.08588	15.8
253.12198	16.3
255.10136	25.7
256.07355	3.4
256.10489	1.5
257.07913	1.8
267.06412	2.6
267.10046	4.3
269.08090	4.6
269.11578	2.9
272.10425	2.3
281.11652	5.8
285.07965	2.0
285.11124	15.2
287.12732	30.4
312.36374	1.7
313.14310	9.6
331.08023	8.3
331.11649	2.4
331.15402	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	331.1901
Annotation	7-Oxo-15-hydroxydehydroabietic acid
Peak:m/z	Relative Intensity
55.05510	4.9
56.06215	1.5
67.05504	7.1
69.07059	4.2
70.93336	2.2
73.84762	1.3
79.05486	2.5
81.07057	18.9
83.08617	4.5
85.06540	5.0
91.05480	3.1
93.07047	2.6
95.08598	23.1
98.98458	35.7
99.08098	2.6
105.07021	1.9
107.04945	3.1
109.10138	8.4
117.03381	1.4
119.05042	1.7
119.86504	1.4
123.11679	1.7
128.06195	2.1
129.07014	4.3
131.04941	3.6
131.08572	6.4
133.06485	17.7
135.57161	1.4
137.05988	3.0
141.06973	3.5
142.07809	3.0
143.08549	5.1
144.05742	7.6
145.06429	10.1
145.10126	2.4
147.07994	3.6
149.05960	6.8
151.07559	5.9
155.08554	3.3
157.06464	6.0
157.10094	2.0
158.07265	3.5
159.08037	50.3
159.11664	1.7
160.08473	2.2
161.05966	12.9
161.09637	3.1
163.07578	1.9
165.07019	2.1
167.08575	3.9
169.10136	5.0
170.07289	3.6
171.08002	12.1
173.09602	46.8
175.07536	9.6
176.98950	2.1
177.05417	3.0
179.07019	4.3
181.06465	1.4
183.08038	6.3
185.09612	24.9
187.07529	41.3
187.11124	17.4
188.07799	2.4
189.09090	12.2
195.06520	2.9
196.08833	2.0
197.09608	39.6
198.09962	2.9
199.05537	1.6
199.07510	4.7
199.11206	6.5
201.09090	31.6
201.10841	2.6
201.12791	4.1
203.07025	5.0
203.10655	2.2
205.08589	30.9
211.07613	2.2
211.11165	16.3
213.09129	11.7
213.12692	2.4
215.10692	6.6
217.08534	8.5
219.10130	32.3
221.08084	3.5
225.09137	10.8
225.12692	12.2
227.10695	4.5
227.14195	6.7
231.10158	11.2
235.09698	4.0
239.10606	6.4
239.14192	2.6
240.14870	1.8
243.10243	2.6
245.11810	3.5
253.12151	5.2
255.13672	2.9
255.17448	6.2
257.11789	4.0
267.17398	39.2
285.18466	100.0
286.18787	4.5
287.12704	1.7
295.16882	23.0
301.17978	8.0
303.19492	3.7
313.17920	23.8
331.08542	1.8
331.15292	2.3
331.18976	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	331.1901
Annotation	Salonitenolide 8-O-angelate
Peak:m/z	Relative Intensity
53.03936	2.8
53.79207	1.2
55.05507	56.0
57.03424	1.4
57.07069	2.5
67.05495	3.0
69.07063	2.4
71.05594	1.6
73.73103	1.3
78.98904	1.4
79.05492	5.7
81.07057	6.3
83.04976	100.0
85.06524	6.8
87.04485	1.9
88.07654	3.0
91.05478	21.2
93.07037	5.2
95.04971	14.1
95.08605	3.3
96.44942	1.4
97.06540	1.7
98.98459	78.6
100.98896	2.5
102.09208	1.6
104.99277	1.9
105.07014	20.1
107.08608	2.5
109.06538	4.6
115.05444	3.4
116.99464	2.6
117.06997	11.4
119.08566	9.2
121.06523	2.6
123.08081	2.1
126.72540	1.6
128.06210	7.1
129.07002	15.1
130.07784	3.5
131.08571	16.9
133.06496	2.0
133.10146	4.3
135.08017	3.2
141.07022	2.2
142.07794	6.0
143.08546	23.2
145.06462	7.6
145.10109	26.3
145.54813	1.4
147.08028	8.1
154.07713	2.6
155.08559	9.7
156.09332	2.4
157.10107	8.6
159.08131	2.1
159.11685	6.2
161.09627	3.4
161.13266	2.5
165.07013	1.8
169.10123	4.2
170.10924	2.0
171.08040	5.1
171.11618	8.8
173.09613	30.8
174.99269	4.0
175.11150	3.3
176.98935	5.3
177.02765	1.5
180.09286	2.0
185.13249	13.2
187.11208	3.0
189.12732	4.4
195.11697	6.2
203.14334	6.6
213.09244	1.8
213.12747	17.2
231.13824	23.3
242.05743	6.3
270.05173	2.2
284.29480	2.3
298.04721	3.2
313.18121	2.1
330.30002	1.5
330.33749	2.8
331.07965	11.7
331.18915	20.8
331.30438	3.1
332.31458	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1901
Annotation	Salonitenolide 8-O-angelate
Peak:m/z	Relative Intensity
53.03931	1.7
55.05504	47.3
56.87967	0.9
67.05485	2.2
69.03427	1.5
69.07053	3.9
79.05466	3.2
81.07059	7.0
83.04970	94.0
85.06531	3.7
91.05485	6.6
91.13891	0.9
93.07018	3.2
95.04968	5.4
95.08588	3.6
97.06523	1.2
97.10155	3.5
98.98457	100.0
100.98847	2.4
101.16514	1.1
105.07012	7.6
106.11899	1.0
107.08574	2.4
109.06472	2.1
109.10148	2.0
115.05443	2.1
116.99483	3.4
117.07010	4.7
119.08584	3.9
128.06221	4.3
128.98499	1.0
129.06998	9.2
130.07707	1.1
131.08553	4.7
133.06441	2.2
133.10086	1.7
135.07976	1.4
139.12334	1.0
141.06972	1.6
142.07738	2.1
143.08551	11.5
145.06470	3.7
145.10115	8.0
147.08002	3.4
149.05908	1.6
155.08534	4.6
156.09236	1.0
157.06520	2.6
157.10052	6.3
159.11641	1.4
161.05974	2.3
161.09633	1.4
163.07419	1.9
163.59612	0.9
167.08429	1.3
169.10075	2.1
170.10759	1.1
171.08046	3.7
171.11588	1.7
173.09589	9.4
174.99216	3.2
175.07536	18.2
176.98882	6.4
177.05420	1.7
177.08952	1.2
180.09328	1.3
183.08075	2.2
185.09560	2.8
185.13249	5.2
187.07500	1.7
189.09097	16.0
195.08052	2.1
195.11624	2.3
199.07497	1.9
201.09117	4.1
203.07013	12.8
203.10767	5.2
203.14304	4.6
207.10216	1.4
209.09590	1.3
213.09085	15.9
213.12642	9.0
214.09401	1.2
215.10730	2.1
217.08569	5.6
221.08060	10.7
229.08612	1.1
229.12134	2.7
231.10219	7.5
231.13786	13.1
235.09679	3.6
239.10562	1.2
241.12173	1.5
242.05852	1.1
243.10056	1.4
245.11697	3.6
255.13811	3.1
257.11789	1.8
267.13910	1.1
270.05084	1.1
283.16864	12.7
285.18420	9.8
295.16931	1.5
301.17960	4.1
303.19479	2.2
313.17911	4.9
331.08420	4.3
331.19006	18.9
332.19174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1901
Annotation	Dihydroguaiaretic acid
Peak:m/z	Relative Intensity
53.30431	0.2
58.27663	0.2
59.30806	0.2
81.07023	0.2
84.45631	0.2
98.98462	6.9
99.08090	1.8
114.37886	0.2
119.08627	0.4
123.04425	1.6
129.06993	1.7
133.02805	0.3
134.03584	0.2
143.08586	0.3
147.08046	0.5
157.06438	1.1
158.07164	0.3
163.03877	0.9
171.07961	0.4
173.09592	0.3
174.99110	0.3
175.07539	6.8
176.98854	0.5
184.08829	0.3
185.05898	0.6
187.07555	0.6
189.05530	0.2
189.09064	0.4
197.05969	0.3
199.07507	0.3
199.11229	0.7
201.09084	1.3
202.09853	1.0
203.07016	27.8
204.07346	1.1
209.04431	0.5
211.07498	0.4
211.11235	0.3
212.08344	0.8
213.09061	0.4
215.10674	1.3
217.06502	0.3
217.08594	0.8
217.12224	4.8
227.10686	1.7
229.12219	0.7
230.09315	0.8
233.07066	0.3
242.05717	0.4
245.11710	100.0
246.12070	5.2
253.12302	0.3
270.05289	0.4
271.13281	0.8
295.16998	0.4
313.07117	0.3
313.17795	2.1
314.18259	0.3
331.08069	2.5
331.18729	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1902
Annotation	Triptoquinone F
Peak:m/z	Relative Intensity
55.05505	8.9
57.07065	6.1
58.64965	2.2
66.82885	2.4
69.07047	4.6
71.07022	2.5
71.44076	2.6
72.08139	6.7
74.09684	2.4
81.07045	2.6
83.08629	5.3
91.05462	3.4
95.08606	5.6
98.98463	53.7
100.20755	2.9
105.07030	4.7
109.10138	3.4
115.51054	2.5
118.97090	2.7
128.06230	5.2
142.07738	4.5
143.08543	6.9
155.08614	4.4
157.06470	3.1
157.10097	5.0
161.05975	6.6
163.07570	4.0
167.08592	6.0
171.08061	7.1
173.06065	3.4
176.98892	4.6
179.08493	3.1
181.06439	2.5
183.08034	3.4
185.09608	8.3
187.07512	7.8
189.09128	25.2
195.08064	7.8
197.09589	6.6
198.06789	3.8
199.07524	6.7
201.09081	12.9
203.10663	7.7
204.45461	2.8
207.10132	6.1
209.09650	5.1
213.09093	100.0
214.09497	3.0
215.10663	8.5
217.08600	15.0
219.52267	2.9
221.11725	3.5
223.11127	5.1
225.09076	2.8
225.12715	2.8
227.10666	5.5
229.08601	5.0
229.12186	5.6
231.10123	25.8
235.09488	3.6
239.10643	4.3
241.12222	8.1
243.10249	2.8
255.13751	13.3
257.11578	3.4
265.15854	7.8
269.15253	3.2
271.13336	2.6
283.16898	62.6
285.15723	3.2
285.18384	19.1
295.16867	5.6
301.18008	17.5
303.19650	19.2
313.17990	18.1
330.33636	6.2
331.10175	3.2
331.18921	46.2
331.22458	48.8
331.28119	9.0
332.29178	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	331.1901
Annotation	7-Oxo-15-hydroxydehydroabietic acid
Peak:m/z	Relative Intensity
50.18180	1.3
55.05510	8.8
57.03414	2.2
57.07060	1.4
59.04982	4.3
67.05499	4.5
69.07062	4.3
69.18349	4.4
69.18749	3.1
71.04955	1.8
79.05492	2.1
79.56677	1.3
81.07057	9.1
83.08635	6.3
85.06526	3.7
85.69711	1.3
91.05470	3.0
92.23124	1.2
93.06990	1.5
95.04987	1.4
95.08602	18.0
97.10087	1.5
98.22720	3.4
98.98466	48.0
99.08078	4.9
101.05957	2.1
103.05470	2.8
105.07056	2.4
107.04951	1.6
109.10123	7.9
111.08097	8.0
113.09628	2.5
115.05422	1.4
117.06992	3.7
119.08586	2.1
121.10155	1.9
123.04430	6.7
123.11684	4.3
127.11124	1.5
128.06206	3.1
129.06987	4.3
131.04912	5.3
131.08548	3.5
133.02818	7.0
133.06487	20.9
135.04388	3.1
141.06924	2.3
142.07735	2.2
143.08566	10.3
145.02797	2.2
145.06453	9.3
145.10129	4.4
147.08018	5.8
147.11693	1.7
149.05980	20.2
151.03900	5.1
153.07016	2.2
154.07811	1.7
155.08540	6.3
156.09296	4.1
157.06465	9.5
157.10181	1.6
158.07236	4.5
159.08054	19.8
161.05959	11.0
161.09613	1.7
163.03889	13.6
165.07068	2.3
167.58472	1.4
168.09343	4.0
169.10085	4.4
170.07253	9.5
171.08063	23.6
171.11641	4.4
172.08830	7.8
173.09619	39.5
174.10153	3.0
174.99182	1.6
175.07509	4.8
175.11192	8.4
176.98886	2.5
177.05463	10.1
179.07013	4.1
179.08522	2.5
181.10095	3.5
182.07280	1.9
183.07986	9.4
183.11639	4.0
184.08829	11.3
185.09610	17.8
186.10417	2.0
187.07553	17.1
187.11137	13.6
189.09090	15.8
193.10121	2.4
195.06435	7.3
197.09587	32.5
198.10194	2.3
199.11172	80.0
200.11775	6.9
201.09103	45.5
201.10484	0.9
201.12671	12.5
203.06958	1.5
205.08571	6.3
207.11755	1.6
210.10451	1.7
211.07539	5.7
211.11153	28.0
212.11563	1.6
213.09116	10.3
213.12711	11.6
215.10655	8.1
215.14255	2.5
217.08618	10.2
219.10143	28.3
225.09106	24.8
225.12680	20.6
226.13138	1.6
227.10648	55.7
227.14084	2.6
228.11006	2.3
229.08516	6.6
229.12273	4.7
231.10139	5.9
233.11801	2.3
235.09631	9.0
239.10640	27.5
239.14232	2.8
240.15028	2.1
241.12193	3.0
243.10141	17.1
245.11714	100.0
246.12109	4.8
247.09544	2.8
253.12202	8.2
255.13808	2.4
257.11700	18.8
257.19055	2.7
267.17404	47.4
268.17822	2.9
271.13321	4.6
285.18463	98.6
286.18839	4.8
295.16891	55.7
296.17233	3.8
313.14301	3.4
313.17963	65.0
314.18265	4.2
331.18991	58.0
332.19318	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	331.1901
Annotation	Triptoquinone F
Peak:m/z	Relative Intensity
55.05505	7.7
57.07061	0.6
67.05484	2.3
68.17368	0.6
69.03409	0.9
69.07051	3.7
70.37115	1.1
70.37447	0.8
74.35161	0.6
79.05477	1.3
81.07032	2.2
83.08622	6.1
85.06539	1.0
91.05461	1.5
92.73300	0.5
93.07028	1.4
95.08586	5.8
97.10139	1.2
98.10527	0.5
98.98461	28.6
100.98872	0.6
105.07017	1.7
107.08597	1.8
109.10137	2.3
113.09640	1.2
115.05425	1.5
117.06998	1.0
119.08571	0.9
119.14731	0.6
123.04423	0.8
128.06157	3.6
129.06972	1.7
131.08594	0.9
141.06929	3.5
142.07748	3.2
143.04868	1.5
143.08566	8.2
145.06418	2.3
145.10123	1.0
147.04326	0.7
152.06190	0.9
153.06969	2.7
154.07722	2.2
155.08510	4.6
157.06512	3.2
157.10104	4.3
159.04427	1.4
159.08025	1.8
160.05270	0.7
161.05962	9.8
163.07547	6.7
165.06990	1.9
166.07712	1.7
167.08554	5.7
169.06429	1.0
169.10109	3.8
170.07219	2.1
171.08035	7.3
173.05968	4.2
174.06702	1.3
174.99187	1.4
175.07504	3.4
176.98924	2.2
177.05531	1.5
177.09067	2.1
178.07761	1.3
179.08495	1.4
181.06462	1.9
181.08556	2.0
181.10112	2.0
182.07202	1.4
183.08023	5.0
183.11684	1.0
184.08803	1.3
185.05939	1.7
185.09604	7.9
186.06696	1.4
187.07544	7.0
188.08330	0.8
189.05499	1.2
189.09087	25.3
190.09329	1.6
191.07030	1.1
191.08594	0.8
191.10643	0.6
193.10109	2.4
194.10815	1.0
195.06393	1.0
195.08043	9.8
195.09871	1.3
195.11737	1.3
196.08775	1.2
197.06020	0.8
197.09584	6.7
197.13304	0.8
198.06757	3.6
199.07515	7.2
199.11134	1.2
200.08237	1.5
201.09108	11.0
203.06972	1.6
203.10654	6.8
205.08594	1.2
207.08221	1.1
207.10077	5.8
207.11699	0.8
209.09669	4.1
209.13194	0.8
211.07469	1.3
211.11159	2.1
212.08299	1.2
213.09084	100.0
214.06317	1.3
214.09399	3.5
215.07248	0.9
215.10651	9.8
216.11282	0.8
217.08585	18.3
217.12183	2.2
219.10112	1.4
221.08060	2.1
221.09749	1.5
221.11461	3.9
222.10178	0.8
223.11195	3.1
223.14799	0.8
224.11852	1.1
225.09042	2.6
225.12714	2.2
227.10591	7.0
228.11234	0.9
229.08611	5.2
229.12183	7.2
231.10153	25.4
232.10445	1.4
233.11699	2.9
235.09390	4.5
235.11665	0.8
236.11963	0.9
237.12834	1.2
237.16386	2.3
239.10628	2.8
240.11392	2.4
241.12253	5.7
242.13023	2.0
243.10146	2.3
243.13757	3.3
245.11722	1.8
247.13190	3.0
252.11555	0.6
253.12143	2.3
253.15834	0.6
255.10069	0.6
255.10962	0.8
255.13797	11.8
255.16978	1.2
257.11591	3.2
257.15320	3.9
259.13422	0.7
261.11111	1.5
265.15857	8.0
267.13892	1.1
267.17502	2.0
269.15277	1.9
271.13306	3.2
272.13824	0.6
275.12714	1.8
277.15881	1.3
283.16904	71.1
284.17264	4.7
285.15332	0.9
285.18472	20.5
286.18787	0.9
289.14420	0.9
295.16895	6.9
301.17972	22.2
302.18161	1.9
303.19513	14.5
313.14413	1.4
313.17932	18.9
314.18265	1.4
331.18997	51.2
332.19431	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	331.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01877	2.4
55.05504	2.4
57.03434	8.3
66.54863	1.4
67.05511	13.7
69.07063	9.4
69.09486	8.8
79.05502	3.2
81.03412	37.5
81.07032	7.3
91.05486	4.1
93.07053	5.3
95.04964	51.3
95.08587	6.3
96.05349	1.7
97.06527	3.2
98.98462	100.0
99.04440	1.5
100.98885	3.2
104.99281	1.3
105.07037	4.6
107.04954	3.9
107.08598	7.4
109.06506	7.7
109.10154	17.6
111.08079	3.2
112.98883	1.2
116.99438	3.2
117.07006	2.0
119.08585	4.4
121.06478	3.2
121.10141	5.1
123.04420	4.4
123.08073	4.8
123.11693	3.4
125.09617	2.0
126.43073	1.2
131.08560	4.1
133.10144	5.6
135.08037	3.4
135.11702	5.3
137.06013	1.9
137.09590	2.0
139.07545	4.6
142.07794	1.3
143.08551	3.0
145.06468	4.6
145.10161	4.8
147.08046	4.5
147.11664	2.0
149.09612	2.9
151.07553	1.6
151.11156	18.2
155.08611	1.8
158.10860	1.9
159.08047	1.7
159.11760	1.6
161.09621	4.1
163.14838	2.7
167.14331	3.0
173.09554	2.2
173.13297	9.5
174.99185	3.2
175.11156	2.2
176.11937	2.0
176.98946	7.9
177.09067	1.4
179.10638	11.1
185.09686	1.5
187.11171	2.7
189.09229	1.6
191.14293	24.3
193.12149	1.6
197.09743	1.9
199.11093	1.8
205.12192	5.4
209.15356	28.2
211.11229	2.7
219.13748	2.2
234.58600	1.5
252.99811	1.8
257.15417	4.1
271.17029	1.6
282.10788	1.4
285.18469	2.4
287.16428	1.7
295.16864	3.1
313.17917	8.4
316.05807	4.7
331.08173	10.4
331.18921	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1902
Annotation	7-Oxo-15-hydroxydehydroabietic acid
Peak:m/z	Relative Intensity
55.05502	9.8
67.05509	14.4
70.12482	7.1
81.07050	23.2
83.08600	4.6
85.06535	5.0
91.05478	5.2
93.07063	4.5
95.08592	38.6
97.10175	4.4
98.98459	89.6
100.98868	2.4
109.10155	11.6
123.11711	3.6
128.06194	4.3
129.06987	3.7
131.04939	5.6
131.08533	12.7
133.06467	19.0
137.06042	2.9
141.06979	4.4
142.07777	3.0
144.05753	9.1
145.06503	15.0
145.10147	5.3
147.08089	8.6
149.06001	7.4
149.09634	3.1
155.08531	5.8
157.06471	7.1
157.10144	3.4
158.07272	7.2
159.08046	78.3
160.08398	3.1
161.05995	10.7
167.08519	5.6
169.07640	3.2
170.07391	2.7
171.08061	10.3
173.09619	71.1
175.07530	9.2
175.11108	2.5
176.98863	5.0
177.05473	2.9
179.07021	6.2
183.07985	12.1
185.09610	37.0
187.05960	2.5
187.07524	68.3
187.09319	3.7
187.11116	22.1
188.07799	3.0
189.09065	15.4
190.04993	3.1
197.09608	35.6
198.10040	2.7
199.07542	9.0
199.11203	10.1
201.09102	45.0
201.12675	4.7
202.09506	3.6
203.07031	8.1
203.10556	6.2
205.08583	56.6
209.09650	3.5
211.07617	6.0
211.11200	24.0
213.09097	22.6
213.12558	3.2
215.10677	5.5
217.08644	12.0
219.10139	64.9
221.08113	4.8
225.09123	11.0
225.12613	12.4
227.10628	5.4
227.14244	5.8
231.10112	20.6
235.09586	4.8
239.10617	10.1
245.11795	4.2
253.12251	6.1
255.10210	2.8
255.17505	7.2
257.11752	5.4
267.17432	46.7
269.15549	3.4
283.16815	7.3
285.18442	100.0
286.18781	5.0
295.16956	22.7
300.08679	3.9
301.17996	16.8
313.17960	28.3
314.18311	3.0
330.29910	5.9
331.15543	4.1
331.18948	22.6
331.30502	5.8
352.86691	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	331.1902
Annotation	Cynajapogenin A
Peak:m/z	Relative Intensity
53.03934	2.5
55.01877	2.4
55.05504	2.4
57.03434	8.3
66.54863	1.4
67.05511	13.7
69.07063	9.4
69.09486	8.8
79.05502	3.2
81.03412	37.5
81.07032	7.3
91.05486	4.1
93.07053	5.3
95.04964	51.3
95.08587	6.3
96.05349	1.7
97.06527	3.2
98.98462	100.0
99.04440	1.5
100.98885	3.2
104.99281	1.3
105.07037	4.6
107.04954	3.9
107.08598	7.4
109.06506	7.7
109.10154	17.6
111.08079	3.2
112.98883	1.2
116.99438	3.2
117.07006	2.0
119.08585	4.4
121.06478	3.2
121.10141	5.1
123.04420	4.4
123.08073	4.8
123.11693	3.4
125.09617	2.0
126.43073	1.2
131.08560	4.1
133.10144	5.6
135.08037	3.4
135.11702	5.3
137.06013	1.9
137.09590	2.0
139.07545	4.6
142.07794	1.3
143.08551	3.0
145.06468	4.6
145.10161	4.8
147.08046	4.5
147.11664	2.0
149.09612	2.9
151.07553	1.6
151.11156	18.2
155.08611	1.8
158.10860	1.9
159.08047	1.7
159.11760	1.6
161.09621	4.1
163.14838	2.7
167.14331	3.0
173.09554	2.2
173.13297	9.5
174.99185	3.2
175.11156	2.2
176.11937	2.0
176.98946	7.9
177.09067	1.4
179.10638	11.1
185.09686	1.5
187.11171	2.7
189.09229	1.6
191.14293	24.3
193.12149	1.6
197.09743	1.9
199.11093	1.8
205.12192	5.4
209.15356	28.2
211.11229	2.7
219.13748	2.2
234.58600	1.5
252.99811	1.8
257.15417	4.1
271.17029	1.6
282.10788	1.4
285.18469	2.4
287.16428	1.7
295.16864	3.1
313.17917	8.4
316.05807	4.7
331.08173	10.4
331.18921	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.2
57.79770	1.7
67.05508	3.5
69.07065	2.5
69.45809	4.3
69.46191	2.7
71.36698	1.4
79.05473	1.9
81.07056	6.5
91.05476	3.0
93.07052	5.6
95.08602	9.2
98.98460	35.9
100.99043	1.7
104.44333	1.7
105.07023	5.3
107.08625	5.5
109.10141	1.8
112.47739	1.6
119.08599	4.1
121.10130	2.5
123.08003	1.7
124.61591	1.6
133.10147	3.1
135.11711	2.7
137.25769	1.6
149.13223	2.1
156.96678	1.6
159.11642	2.0
161.13322	2.0
176.98964	3.1
249.94449	1.8
330.33496	1.8
331.08151	3.9
331.22440	100.0
331.26233	9.5
331.33966	6.8
332.22775	6.5
332.32904	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03941	0.7
56.96554	1.3
57.03431	1.4
61.02917	2.2
63.95231	0.4
65.03915	0.6
67.05496	2.9
69.03426	5.7
69.90127	0.9
69.90472	0.5
71.04983	0.5
72.81407	0.4
73.02900	2.0
79.05476	1.1
81.03406	2.2
81.07040	0.8
85.02898	6.7
87.04455	1.3
92.04996	0.4
93.05784	0.7
94.06590	0.5
96.08129	1.2
97.02890	3.1
98.97577	3.3
98.98456	0.9
99.04471	0.8
101.35944	0.4
102.96849	0.5
106.06548	4.8
108.08108	100.0
109.02883	1.1
109.08405	2.4
116.98608	1.6
123.06792	3.9
124.07581	13.7
127.03901	0.8
134.06007	10.7
136.07562	14.5
137.08032	0.3
152.07053	68.2
153.07401	1.6
154.08655	2.0
170.08087	7.4
171.03313	0.4
176.93636	0.9
189.08734	0.4
216.98619	0.6
218.94724	0.6
218.98483	0.8
219.01974	0.5
232.96446	0.4
236.95741	1.6
236.99428	1.0
246.76758	0.5
254.96689	0.7
274.97510	0.6
292.98911	0.6
314.12302	33.3
315.12607	1.6
321.82440	0.4
332.13351	49.5
333.05646	0.9
333.13678	1.7
350.03958	1.0
350.07898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
56.05036	10.2
57.07076	8.7
58.06590	5.2
60.04523	2.3
65.15005	1.6
69.07067	2.3
69.81394	1.5
69.81747	4.1
71.08636	5.6
72.04503	5.1
74.06076	11.0
81.07030	1.3
85.10174	1.9
86.06041	2.1
88.07627	42.0
89.87373	1.1
91.05473	6.4
92.05791	3.2
93.07028	3.4
98.23442	1.9
98.98469	10.4
100.20686	1.2
104.07068	1.4
105.07048	1.4
105.25514	1.2
118.08633	7.0
122.07556	0.9
122.08144	10.0
129.06981	2.6
135.07974	1.4
141.07007	1.1
142.07753	3.0
143.08588	1.7
155.08560	4.3
156.09381	1.4
157.10098	7.2
165.12695	1.6
169.10205	2.1
171.11697	2.2
173.05977	2.1
180.13799	1.4
183.08034	13.7
183.11642	2.7
197.09628	2.6
200.08344	3.1
201.09087	12.1
211.14851	1.6
213.09123	1.5
213.12733	2.0
215.10658	52.7
216.10936	2.7
225.16367	3.2
231.10277	1.8
238.13498	2.2
253.15828	9.5
265.12332	1.6
284.29462	33.1
297.14838	2.6
314.30527	2.5
315.15887	61.9
316.16147	3.1
332.09622	12.8
332.19165	4.6
332.31570	100.0
333.10950	36.6
333.16818	2.8
333.20340	2.3
333.31763	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	332.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	10.0
57.07062	20.4
58.06598	11.4
58.37462	10.3
70.67732	20.8
71.08624	16.6
74.06068	20.9
74.84076	8.8
98.98465	34.9
122.08150	31.1
145.10126	14.9
155.38261	9.9
179.08574	40.2
181.06512	19.2
195.08002	15.8
197.09621	33.9
199.11148	10.8
209.13457	10.6
213.12732	24.9
221.09596	22.5
235.11188	17.8
237.12680	57.1
239.14275	89.1
269.18933	100.0
279.17429	32.3
297.18527	22.6
332.31470	61.1
333.10825	14.5
352.18863	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	332.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.8
56.05032	12.4
57.07080	8.4
58.06604	5.9
58.39989	1.0
60.04515	2.1
69.07045	1.1
71.08614	4.2
73.78500	1.0
74.06074	11.2
84.88206	1.2
85.10178	1.4
86.06050	2.1
88.07622	44.3
91.05473	1.4
98.98469	8.5
104.07079	1.1
118.08659	7.2
122.08123	7.4
155.08600	1.6
157.10097	2.3
165.09146	2.4
179.06961	1.2
183.08037	2.5
189.08998	1.2
197.09663	1.6
201.09082	2.9
205.08545	1.2
213.12761	1.3
215.10651	14.1
216.10999	1.5
219.10136	2.8
231.10152	3.4
253.15868	2.1
270.27988	1.4
284.26309	2.0
284.29456	35.1
285.29761	1.7
297.15094	1.2
314.30588	2.6
315.15912	20.1
315.19516	2.3
316.16321	1.4
332.09796	2.7
332.19089	2.9
332.31546	100.0
333.10931	9.7
333.16837	1.9
333.20572	12.0
333.31808	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	333.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	90.9
69.64322	7.2
70.98114	84.6
74.29796	2.0
74.97596	6.1
85.02876	3.0
88.99149	43.6
91.86974	2.5
92.98613	2.5
98.22668	4.8
98.97558	15.6
98.98455	56.9
100.99050	7.3
101.96980	2.2
107.00196	12.4
108.08105	6.5
112.99149	2.3
116.98632	11.9
116.99332	2.2
119.00176	5.6
123.04362	2.6
128.98593	3.2
133.01732	2.8
137.05948	5.4
146.99643	10.1
152.07034	4.8
158.99634	29.1
161.01227	10.2
165.00650	6.5
172.97571	10.6
176.99049	8.0
177.00682	100.0
179.02275	42.8
189.04364	6.4
190.95381	3.6
190.98630	30.8
191.02299	4.8
195.01726	17.7
197.03323	7.1
205.00159	2.7
207.05550	3.9
208.99713	6.5
231.05402	4.3
232.96312	5.2
232.99690	5.8
233.11240	2.4
235.03239	2.7
251.00829	4.8
260.99231	3.5
263.00583	3.6
291.00189	28.1
308.89047	3.1
309.01129	4.7
315.12515	4.8
333.08041	4.2
333.11661	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	333.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48796	11.1
61.38865	9.7
68.67348	9.6
70.55312	16.6
98.98479	100.0
143.44618	9.4
149.05974	29.1
149.09619	22.6
197.12029	10.4
234.61418	10.2
271.20474	11.7
287.19946	16.1
315.15921	17.7
333.10858	54.1
333.16879	23.1
333.20486	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	333.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	23.2
71.43079	4.9
80.48357	4.2
85.02893	19.6
91.05468	9.5
97.02892	6.9
98.97562	6.7
98.98456	100.0
100.98866	7.4
108.08105	5.7
117.05750	9.6
119.04935	4.9
127.03899	6.5
137.05959	75.5
143.41747	4.4
145.05055	5.8
171.03279	20.0
174.02254	7.4
174.37175	4.9
176.98932	9.3
189.04329	47.6
192.03329	13.0
195.35596	4.4
207.05406	28.0
213.91922	4.1
215.04941	6.0
217.06458	9.5
231.05367	14.4
235.07501	7.3
245.45197	4.4
261.05423	35.2
279.06564	21.1
333.08768	66.3
333.13220	5.4
341.41815	4.3
351.09604	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	333.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92743	0.5
61.42237	0.5
69.07078	0.8
70.02352	1.1
70.02671	0.8
71.82551	0.6
77.88861	0.7
80.52546	0.7
83.04944	0.7
83.15807	0.6
93.07011	0.9
95.08572	0.8
96.35526	0.6
98.98460	3.1
109.10152	0.7
120.97744	0.6
179.07030	1.2
185.66859	0.7
188.44472	0.6
197.08165	1.3
213.09152	1.5
215.10721	1.1
285.18430	2.0
297.18524	0.7
315.19489	1.3
332.31671	1.0
333.10934	100.0
333.20547	2.6
334.11316	6.2
351.11899	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	333.1155
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
61.47271	0.6
61.90467	0.6
66.92911	0.6
71.42883	0.6
72.97434	0.5
85.02915	0.8
91.38505	0.6
94.26392	0.5
98.97503	0.9
98.97788	0.9
98.98464	17.5
100.98845	1.0
114.15866	0.6
128.35291	0.6
137.05989	1.3
171.06239	1.3
176.98920	2.0
333.11533	100.0
334.11853	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1177
Annotation	1beta-(3-Hydroxy-4,5-dimethoxyphenyl)-O-glucopyranoside
Peak:m/z	Relative Intensity
53.03943	3.2
55.01858	1.9
55.05506	14.6
57.03434	4.3
67.05506	4.8
69.03426	29.7
69.25678	2.3
69.26086	3.8
71.01362	1.4
71.04984	5.3
77.37015	1.0
81.03413	10.0
83.04977	100.0
84.05333	1.6
85.02901	63.0
86.09711	1.1
87.04459	1.3
87.15917	1.0
87.44232	1.0
91.05468	2.4
95.04978	2.0
97.02888	8.9
98.22607	1.8
98.98460	4.6
99.04446	7.9
101.06015	2.6
109.02863	2.5
111.04436	37.7
127.03913	9.8
129.05470	14.5
145.04944	2.4
148.91331	1.3
151.03886	1.2
163.03961	1.9
171.06517	93.5
172.06879	2.2
174.74239	1.2
182.44916	1.0
229.07117	2.9
258.12039	3.1
333.11633	5.9
359.20413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86593	0.4
55.05509	1.1
62.88630	0.5
63.55187	0.5
65.03921	1.1
69.03423	0.8
70.06592	0.8
77.34885	0.5
79.05539	0.6
83.04962	1.0
85.02908	0.9
86.31950	0.5
91.05482	3.0
91.28135	0.7
95.06059	1.5
98.97600	1.9
98.98457	15.0
107.04944	1.0
111.04436	2.4
116.98604	0.6
119.04930	1.9
121.06492	0.6
123.04420	11.6
131.04906	2.0
132.56558	0.6
134.99713	0.5
135.04391	1.8
137.05956	9.3
139.03885	4.3
147.04430	1.0
149.05989	1.7
153.05409	0.7
157.08580	0.6
159.04402	3.5
161.05978	0.6
163.03940	0.9
167.06996	0.7
171.09930	1.6
176.98912	1.6
177.05478	4.6
181.04953	1.8
189.04237	0.6
189.34116	0.6
197.07127	1.1
205.06502	1.0
207.05409	0.6
223.07530	2.1
231.05444	0.7
235.74709	0.5
246.19658	1.8
251.07056	1.9
253.18922	0.6
257.08047	2.8
259.09653	1.2
263.11575	0.5
269.08020	3.4
287.09033	0.9
290.22290	1.1
315.09680	1.2
333.15149	100.0
334.15448	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	333.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56683	0.9
52.44067	0.9
56.96560	32.6
67.05496	2.5
69.07066	1.3
70.50452	2.2
71.95251	2.1
79.05503	1.5
81.07051	1.3
84.96016	1.0
88.07637	1.4
93.07014	1.5
95.08625	1.2
97.96801	4.7
98.97624	1.3
98.98431	6.4
105.28685	1.1
109.06532	1.2
110.97564	13.2
111.04498	1.1
115.97835	4.1
122.28028	1.0
123.01202	2.0
128.98596	19.5
133.08153	1.0
133.98857	2.0
137.02644	1.3
143.00134	1.6
145.10141	1.0
146.99634	14.0
152.00047	1.0
155.03714	1.7
161.01224	2.8
165.00708	1.2
165.12759	1.6
171.03296	2.3
175.02695	1.9
185.04724	1.2
189.00580	1.1
189.04364	1.9
190.05124	1.8
203.05939	2.2
214.80763	1.2
241.11153	2.0
245.10652	1.5
252.10425	1.1
263.09531	3.6
264.10187	1.6
267.99869	1.0
277.11307	1.1
283.11957	1.2
303.12711	1.5
312.59482	1.1
315.16269	66.6
316.16684	2.5
331.15640	3.6
332.31458	2.3
333.17294	100.0
333.31821	2.1
334.17657	3.7
334.27444	1.3
351.18417	16.3
356.19009	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	333.1906
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03938	3.4
55.01867	6.6
55.05501	6.5
57.03434	10.5
57.07068	18.0
59.04990	15.6
60.13771	1.9
61.02915	11.4
67.05501	11.1
69.03424	36.0
69.07063	14.5
71.04991	4.5
71.08630	2.1
73.02910	4.3
77.07033	1.8
81.03422	14.9
81.07053	4.8
83.01335	2.0
83.04953	2.3
83.08612	8.8
85.02898	100.0
85.06543	15.0
87.04465	4.2
91.03939	4.4
91.05482	3.8
92.25474	2.1
93.07035	7.6
95.04948	5.6
95.08596	62.5
97.02886	32.1
97.06514	7.2
98.98469	37.1
99.04461	5.0
99.08096	17.0
105.07043	2.2
107.08585	13.2
109.02935	8.5
109.06510	11.5
109.10152	18.2
111.04424	3.8
111.07426	1.7
111.08070	10.6
111.11732	4.1
113.09638	66.2
115.36977	1.6
119.08573	2.7
121.06528	2.3
123.04493	1.8
127.03909	21.2
127.11189	53.1
131.81660	1.7
135.11696	17.5
137.13254	4.4
141.06577	3.4
145.04922	21.0
147.04385	2.9
147.08124	2.1
151.05029	3.8
152.06990	3.1
153.12730	91.2
154.13071	3.1
155.14304	12.9
164.07047	2.1
169.06105	16.3
171.13785	45.0
176.98923	3.2
177.12776	3.6
183.08154	1.8
213.14847	3.2
216.00266	1.8
229.08478	3.1
273.03949	2.7
293.16956	1.7
297.17029	1.9
301.11777	5.7
333.14343	3.3
333.18433	3.8
355.71689	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74927	1.0
58.06588	1.2
60.39027	1.0
70.06575	1.3
78.68980	1.0
81.07041	1.1
83.04964	1.6
83.74875	0.9
88.07627	5.8
93.07009	1.4
95.59557	0.9
98.98452	9.1
107.54400	1.1
183.52222	1.2
207.09924	2.0
221.11467	1.4
242.24734	4.9
248.61432	1.0
266.84152	1.1
286.27353	1.6
308.57425	1.1
315.19241	1.4
333.16672	14.2
333.20288	100.0
333.31595	2.3
334.20712	7.8
334.29468	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42187	0.8
56.05005	0.8
57.07076	0.9
58.06592	1.3
71.43233	0.9
87.04439	1.0
88.07640	4.8
90.73034	0.8
98.98457	5.6
132.10167	1.5
195.09972	2.1
242.24725	3.5
315.17960	1.0
333.16772	6.7
333.20316	100.0
334.20822	6.6
334.29453	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67641	0.5
55.05491	0.6
56.05031	0.7
57.07062	1.2
58.06591	2.7
69.19726	3.0
72.04504	0.6
72.75954	0.6
74.06071	0.9
77.63345	0.5
84.08125	1.0
86.06060	0.8
88.07616	11.7
94.37028	0.5
98.98453	3.3
100.74796	0.6
104.07080	0.8
105.07037	0.7
132.10161	1.5
150.11192	0.7
238.65121	0.6
242.24742	9.3
263.12469	0.7
286.27347	2.6
300.18567	0.5
315.19199	1.3
333.11722	3.8
333.20306	100.0
333.31256	2.9
334.11493	0.9
334.20715	6.5
334.29453	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23043	4.0
58.06585	16.2
68.88012	3.8
69.59595	15.2
81.07076	4.9
91.05472	49.8
92.05804	12.2
95.08566	7.0
98.98452	16.2
106.77081	3.8
111.04408	7.6
117.74168	4.7
150.31610	4.0
173.13370	4.8
195.09892	12.6
219.13811	5.0
240.26826	5.9
315.19287	29.9
332.33371	13.5
333.10748	6.9
333.14084	74.0
333.20316	100.0
333.24298	7.4
333.33514	35.9
334.20944	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	333.2052
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
52.08623	1.6
53.03956	2.1
55.05503	4.5
57.03439	17.8
65.03954	3.1
67.05502	21.0
68.85906	1.8
69.03426	4.2
69.07050	9.4
70.84254	2.0
71.04963	2.6
79.05492	7.4
81.03413	52.6
81.07042	8.6
83.04985	3.2
83.08619	2.8
85.06522	5.0
86.67453	2.0
88.03928	2.1
89.69398	2.0
91.05464	10.0
93.07024	11.7
95.04965	60.0
95.08598	10.9
96.05267	1.8
97.06469	3.1
98.98464	19.4
99.08054	3.0
105.07024	19.0
107.04937	5.1
107.08601	15.9
109.06522	14.7
109.10164	7.2
117.07005	4.4
119.08553	16.0
121.06497	5.9
121.10142	39.5
122.32713	2.3
123.04435	4.5
123.08074	10.7
123.11732	4.2
125.09609	4.3
129.06967	2.2
131.08577	7.1
133.10121	14.1
135.08043	6.7
135.11708	12.7
137.05934	2.0
137.09605	6.6
137.13176	2.0
142.07742	2.7
143.08531	4.1
145.06432	10.8
145.10115	10.5
147.08022	8.6
147.11696	5.6
149.05887	2.7
149.09624	4.3
149.13245	2.7
151.07553	4.4
151.11263	3.5
157.10112	5.0
159.08089	2.6
159.11673	10.1
160.03444	2.1
161.09634	8.0
163.11174	26.2
169.10025	2.9
171.08026	4.0
171.11697	3.7
173.09679	2.5
173.13248	6.0
175.11131	4.7
175.14815	15.8
177.09117	4.3
177.12740	4.5
181.10165	2.7
183.08017	2.0
183.11642	2.4
185.09528	3.2
185.13371	3.2
187.11163	3.5
187.14787	3.7
189.12737	2.5
193.12210	2.0
193.15941	14.1
197.13232	3.0
198.10530	2.0
199.11165	2.1
199.14861	2.9
201.12715	2.8
203.14340	5.7
209.13330	3.0
211.11420	2.5
213.12865	3.7
215.14351	4.3
221.15390	6.5
229.15823	2.9
239.14188	2.4
241.15849	6.4
252.05856	1.9
255.17331	2.4
259.16901	7.5
269.19025	7.5
273.18552	4.1
279.17325	4.1
297.18457	19.8
315.19449	18.1
333.20392	100.0
333.31372	6.3
334.20804	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	333.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08623	1.6
53.03956	2.1
55.05503	4.5
57.03439	17.8
65.03954	3.1
67.05502	21.0
68.85906	1.8
69.03426	4.2
69.07050	9.4
70.84254	2.0
71.04963	2.6
79.05492	7.4
81.03413	52.6
81.07042	8.6
83.04985	3.2
83.08619	2.8
85.06522	5.0
86.67453	2.0
88.03928	2.1
89.69398	2.0
91.05464	10.0
93.07024	11.7
95.04965	60.0
95.08598	10.9
96.05267	1.8
97.06469	3.1
98.98464	19.4
99.08054	3.0
105.07024	19.0
107.04937	5.1
107.08601	15.9
109.06522	14.7
109.10164	7.2
117.07005	4.4
119.08553	16.0
121.06497	5.9
121.10142	39.5
122.32713	2.3
123.04435	4.5
123.08074	10.7
123.11732	4.2
125.09609	4.3
129.06967	2.2
131.08577	7.1
133.10121	14.1
135.08043	6.7
135.11708	12.7
137.05934	2.0
137.09605	6.6
137.13176	2.0
142.07742	2.7
143.08531	4.1
145.06432	10.8
145.10115	10.5
147.08022	8.6
147.11696	5.6
149.05887	2.7
149.09624	4.3
149.13245	2.7
151.07553	4.4
151.11263	3.5
157.10112	5.0
159.08089	2.6
159.11673	10.1
160.03444	2.1
161.09634	8.0
163.11174	26.2
169.10025	2.9
171.08026	4.0
171.11697	3.7
173.09679	2.5
173.13248	6.0
175.11131	4.7
175.14815	15.8
177.09117	4.3
177.12740	4.5
181.10165	2.7
183.08017	2.0
183.11642	2.4
185.09528	3.2
185.13371	3.2
187.11163	3.5
187.14787	3.7
189.12737	2.5
193.12210	2.0
193.15941	14.1
197.13232	3.0
198.10530	2.0
199.11165	2.1
199.14861	2.9
201.12715	2.8
203.14340	5.7
209.13330	3.0
211.11420	2.5
213.12865	3.7
215.14351	4.3
221.15390	6.5
229.15823	2.9
239.14188	2.4
241.15849	6.4
252.05856	1.9
255.17331	2.4
259.16901	7.5
269.19025	7.5
273.18552	4.1
279.17325	4.1
297.18457	19.8
315.19449	18.1
333.20392	100.0
333.31372	6.3
334.20804	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	333.2057
Annotation	Nb-Desmethyl-meso-chimonanthine
Peak:m/z	Relative Intensity
51.59290	0.6
55.05491	1.1
57.03417	0.8
57.07059	2.1
67.05486	1.6
69.07034	0.9
70.06590	6.0
70.37458	0.6
71.04984	0.6
72.08131	0.8
75.52891	0.6
79.05460	1.1
81.07018	1.8
85.06522	1.7
88.07614	1.9
91.05458	1.4
93.07018	2.1
95.04939	0.6
95.08588	4.3
97.06525	0.9
98.22725	2.0
98.98452	5.4
102.09154	1.0
103.05464	1.2
105.07024	5.9
107.08604	0.9
108.05731	0.7
109.10146	1.5
111.04432	0.6
111.08041	0.8
117.06980	1.2
119.08582	1.0
121.06516	0.7
121.09264	1.2
121.10131	20.1
122.10535	0.8
123.04411	2.6
123.07973	0.6
129.10182	0.6
131.04910	1.4
131.08522	0.7
132.10165	2.2
133.06508	0.8
135.11646	1.0
136.05170	1.5
137.02293	3.2
137.05940	1.1
139.11140	2.5
143.08505	1.1
145.06473	2.7
145.10123	0.9
146.11755	2.2
149.06009	1.4
159.08015	1.4
161.05949	1.8
163.03857	1.1
163.07536	4.1
164.04669	2.2
165.09186	3.0
171.08035	1.1
173.06021	0.8
177.05463	2.3
177.09122	1.3
179.07014	100.0
180.07356	3.9
184.20483	0.8
185.09698	0.8
186.10219	0.6
187.07497	3.1
189.05396	0.7
189.09084	0.7
195.08109	1.1
195.10146	1.6
199.11264	1.0
200.21918	0.6
201.09196	0.6
201.12712	1.7
203.10672	1.6
205.08578	0.9
207.10066	0.8
211.11137	0.8
213.12769	0.8
215.10735	0.9
217.12146	0.7
219.10117	4.9
221.11777	1.2
228.23196	4.6
228.77229	0.8
229.12186	6.3
230.12820	0.7
231.10202	0.9
237.12672	0.8
243.13728	1.1
245.11784	1.1
255.13800	1.3
272.25784	8.4
273.14960	0.8
291.15887	5.3
297.18475	1.7
314.66602	0.6
316.28598	0.8
333.20569	76.7
334.20923	5.1
334.29483	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	333.2057
Annotation	19-Hydroxy-royleanone
Peak:m/z	Relative Intensity
55.05256	4.6
55.05507	62.3
57.07075	30.2
67.05478	8.6
69.07056	6.5
69.67242	9.3
71.08627	26.1
79.05476	18.1
81.07047	30.4
83.04974	100.0
85.06568	3.8
85.10191	15.6
89.06018	18.3
91.05477	39.0
93.07037	24.0
95.04972	16.8
95.08591	13.5
95.09261	2.3
98.98466	7.2
99.04459	3.8
105.07024	49.1
107.04901	3.4
107.08587	13.4
109.06506	9.4
115.05434	7.2
117.07008	48.7
119.08556	28.5
121.06472	5.4
121.10152	4.5
128.06224	5.6
129.06982	24.0
130.07755	5.9
131.08554	76.1
133.08591	4.4
133.10101	33.0
135.07988	6.2
141.06967	5.9
142.07785	35.8
143.08519	13.6
144.35519	3.2
145.06487	5.4
145.10115	34.8
147.08022	3.8
147.11652	20.0
151.09619	8.6
155.08540	19.9
157.10110	93.6
158.10612	3.4
159.08066	9.9
159.11674	34.8
167.08559	7.0
169.10110	11.4
171.11667	11.9
173.09618	10.7
173.13287	15.2
174.99001	3.1
175.09657	5.9
175.11163	82.2
177.12720	5.2
181.10092	3.0
182.10904	10.1
187.14825	28.9
197.13228	26.9
205.15833	3.3
215.14278	80.8
216.14590	3.9
233.15349	29.3
236.94229	2.7
333.16614	8.0
333.20560	13.9
333.33942	3.6
334.20981	3.4
348.28320	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	333.2058
Annotation	Aldovibsanin C
Peak:m/z	Relative Intensity
54.30339	1.4
55.05506	9.4
59.04995	1.8
65.71780	1.8
67.05497	13.1
69.07068	8.1
70.70733	2.7
72.47073	1.3
79.05508	1.7
81.07035	3.2
83.08630	2.0
91.05489	2.3
93.07002	1.8
95.08599	33.7
95.09217	2.0
97.10146	2.5
98.98458	3.5
99.08072	1.3
109.10146	15.7
113.09642	2.1
115.05476	1.9
117.06979	1.4
128.06201	3.1
129.07060	3.5
135.08090	3.3
141.06967	2.3
142.07756	5.8
143.04979	2.5
143.08524	7.0
145.06490	2.5
152.06168	2.1
153.06992	2.8
154.07774	3.3
155.08510	7.1
157.06474	3.5
157.10118	6.6
159.08090	3.0
161.05965	4.3
163.07518	17.0
164.07959	1.5
165.07019	3.2
166.07803	3.0
167.08551	8.1
169.10162	2.7
170.07292	4.9
171.08029	5.4
173.05974	6.2
173.09692	1.8
175.07535	3.5
177.08992	1.6
179.08534	1.6
181.06569	1.6
182.07314	1.9
183.08055	5.7
184.08742	1.9
185.05949	1.9
185.09586	14.2
187.07600	4.1
189.09097	21.4
190.09389	1.6
191.07031	4.2
194.07378	1.6
195.08064	12.1
195.11719	5.0
197.09587	6.2
198.06807	7.0
199.07547	3.5
200.08322	4.5
201.09064	9.5
203.10681	13.7
205.08630	2.8
207.10094	3.0
208.08806	1.6
209.09691	2.8
211.11166	2.7
212.08391	2.8
213.09084	100.0
214.09576	4.7
215.10648	28.1
216.11232	1.6
217.12221	2.1
219.10092	4.8
223.11180	6.0
227.10643	10.6
229.12231	4.9
231.10088	19.4
233.11639	1.8
237.12778	1.8
241.12178	17.5
242.12970	4.4
255.13832	8.4
256.14444	1.6
257.15372	9.0
259.13251	4.1
267.17477	1.8
269.15411	5.0
270.16064	6.6
272.35953	1.4
279.17456	5.6
285.18457	66.0
286.18820	3.9
297.18466	30.4
303.19354	2.2
315.19495	26.2
316.19897	2.7
333.10287	6.6
333.16623	3.7
333.20572	8.2
334.29895	1.9
338.03723	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2058
Annotation	11,12,14-Trihydroxyabieta-8,11,13-trien-7-one
Peak:m/z	Relative Intensity
55.05505	74.9
57.07069	9.1
58.06588	7.1
67.05498	9.1
69.58597	11.0
69.58982	11.2
79.05478	13.5
81.07048	19.4
81.19440	5.6
83.04976	100.0
91.05470	31.8
93.07031	17.2
95.04951	9.9
95.08569	14.3
98.22776	10.2
98.23378	11.2
98.98451	23.8
101.06001	7.8
105.07013	39.8
107.06231	4.7
107.08576	17.9
109.06507	4.8
109.10149	6.7
111.04401	5.6
117.07008	15.0
119.08596	29.9
121.06475	9.5
121.10133	6.1
129.06953	8.3
131.08569	27.1
133.10117	11.7
142.07735	13.4
143.08528	10.3
145.10135	41.9
147.11673	10.1
155.08517	15.5
156.09363	5.7
157.10100	30.8
159.11665	23.8
161.13322	6.5
166.72392	4.8
169.10133	5.4
171.11719	7.3
173.13226	6.5
175.11136	20.1
177.09087	5.2
177.31602	5.5
187.14807	21.2
189.57510	5.1
197.13246	14.8
215.14284	27.7
223.41460	6.0
233.15326	11.9
272.50049	5.0
332.34244	6.9
333.16705	27.0
333.20563	15.0
333.24252	14.4
333.33682	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	333.2057
Annotation	Nb-Desmethyl-meso-chimonanthine
Peak:m/z	Relative Intensity
50.36641	0.2
53.81234	0.2
55.01870	0.3
55.05504	0.7
57.03424	0.6
57.21271	0.2
67.05508	1.2
69.07038	0.8
69.50298	0.5
69.50705	0.8
71.04992	0.4
72.82623	0.2
79.05484	1.2
81.07043	1.1
83.08592	0.4
85.06522	0.9
91.05465	1.1
93.07039	2.4
95.04953	0.4
95.08597	3.3
97.06542	0.3
98.98445	1.1
99.08090	0.3
103.05452	1.0
105.07016	3.6
106.07779	0.3
107.08554	0.7
107.90954	0.3
108.05703	0.5
108.26559	0.2
109.06496	0.3
109.10117	0.7
111.04459	0.4
111.08065	0.9
115.05466	0.3
117.06998	0.7
119.04922	0.2
119.08553	0.9
121.06515	0.4
121.10133	18.0
122.10447	0.6
123.04444	1.8
123.08043	0.8
129.06979	0.5
131.04901	0.9
131.08583	0.3
133.07564	0.3
135.11688	0.4
136.05180	0.8
137.02332	2.3
137.05968	1.6
137.13237	0.3
139.11162	3.0
143.04875	0.5
143.08549	0.5
145.06459	2.0
145.10123	0.6
147.04402	0.6
149.05965	1.5
151.07576	0.3
153.05437	1.0
155.08488	0.3
157.06419	0.5
157.10078	0.4
159.08015	1.2
161.05969	1.5
163.03874	0.8
163.07544	4.0
163.11122	0.3
164.04686	2.4
165.05431	0.3
165.09097	2.4
171.08026	0.8
173.05984	0.3
173.88564	0.2
175.07500	0.9
176.98926	0.3
177.05467	1.9
177.09067	1.4
179.07013	90.8
180.07332	3.1
181.12186	0.3
183.11662	0.3
185.06070	0.4
185.09589	0.9
186.10362	0.4
187.07524	3.3
187.09070	0.4
188.08141	0.3
189.05405	0.7
189.09081	1.0
191.06992	0.2
191.10626	0.7
193.12265	0.4
195.08220	0.6
195.10144	2.2
199.07570	0.3
199.11169	0.8
201.09015	0.7
201.12738	1.7
203.10617	1.6
204.07797	0.2
205.08614	0.6
205.12238	1.0
207.10127	0.6
209.13210	0.3
211.11182	0.6
213.09128	0.5
213.12798	0.7
215.10661	0.7
217.08582	0.4
217.12248	0.4
217.50626	0.2
219.10133	3.9
221.11731	0.9
229.12215	5.2
230.12834	0.7
231.10127	0.4
231.13724	0.7
237.12720	1.6
238.43350	0.3
239.10654	0.4
243.13754	0.6
245.11694	0.4
254.12827	0.4
255.13712	1.2
259.13318	0.3
273.14810	0.7
273.18369	0.3
279.17499	0.4
291.15887	5.2
292.16345	0.4
297.18341	1.7
315.19525	0.9
333.20563	100.0
334.20862	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	333.2058
Annotation	Japodagrone
Peak:m/z	Relative Intensity
55.05510	10.4
57.03429	2.2
57.07087	1.4
60.27662	1.2
63.41521	1.0
67.05495	2.8
67.76440	1.2
69.07044	6.7
69.43149	1.1
71.04980	1.9
79.05500	1.4
81.07055	3.6
83.08607	1.2
85.17664	1.4
91.05477	1.3
93.07044	3.1
95.08590	4.9
97.10155	6.6
98.23550	1.7
98.98429	2.0
103.05489	2.0
104.70935	1.3
105.06983	1.9
107.08601	1.4
107.67947	0.9
109.10135	4.0
115.05456	1.2
119.08534	2.5
121.10154	12.5
123.04401	3.5
131.04929	5.2
135.11671	1.6
143.04921	3.7
143.08571	1.9
145.06502	6.0
145.10120	1.3
149.05951	8.9
153.06958	1.5
157.06526	2.7
159.04420	6.0
161.05940	7.1
163.07555	5.9
165.09113	42.1
167.08563	1.6
171.08054	3.2
173.06001	5.0
175.07556	6.4
177.05467	6.0
177.09021	2.4
179.07091	6.0
179.08414	1.5
181.06500	2.6
181.12248	2.7
185.05911	1.9
185.09607	5.6
188.08308	2.3
189.05450	15.0
189.09113	3.3
191.06979	2.1
191.10631	11.7
195.08005	2.0
195.10129	1.3
199.07509	4.1
199.11049	1.6
201.09070	3.3
203.07069	3.6
203.10686	5.7
205.08569	15.0
205.12286	3.9
207.10207	2.3
213.09119	4.7
213.12671	1.4
215.10686	4.9
216.07777	6.0
217.08643	2.0
217.12257	6.1
219.10152	37.5
220.10529	2.5
223.11172	1.2
229.12236	2.3
231.10156	49.5
231.13850	4.7
232.10446	2.0
233.11697	12.8
237.12740	3.1
241.12212	4.0
245.11746	4.8
247.13348	1.3
255.13826	4.5
257.15256	2.7
259.13281	5.0
271.16956	3.9
273.14871	15.7
273.18436	8.6
274.15186	1.2
279.17200	1.4
287.20319	1.2
297.18527	10.7
315.19537	22.9
316.19919	1.9
333.11423	6.3
333.20572	100.0
334.11328	1.6
334.20911	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	333.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87410	1.1
55.05511	1.3
57.07071	100.0
58.07413	1.8
69.07065	3.9
71.08626	85.6
83.08606	1.4
85.10175	47.6
89.06023	64.5
89.97154	1.0
90.06364	1.4
91.05517	1.0
98.98470	1.3
99.11747	4.8
107.07063	3.3
113.13264	3.4
120.74825	1.0
127.14856	1.3
133.08592	12.4
151.09639	28.7
333.16730	1.9
334.27240	1.3
350.43558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87289	0.4
67.79128	0.5
69.99109	1.3
76.25166	0.4
76.26730	0.4
81.07043	0.6
81.30625	0.4
84.08118	0.8
86.09715	1.1
86.26402	0.4
93.02245	0.4
98.97565	0.8
98.98454	0.6
124.61767	0.5
126.09123	0.5
127.07529	0.5
130.08620	0.4
137.05954	1.0
147.04321	0.8
154.08600	0.6
155.07022	0.7
166.05066	0.5
172.03687	1.8
172.09673	1.4
185.04198	0.7
205.16119	0.4
280.64795	0.5
292.01541	0.4
293.09006	0.8
307.74747	0.4
334.08926	100.0
335.09195	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	334.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86655	0.7
67.73191	0.7
68.33168	0.7
72.65588	0.7
76.98386	0.7
98.98444	2.0
110.33629	0.7
120.22011	0.7
126.01141	1.0
126.25819	0.7
128.84697	0.7
154.08675	0.8
155.07002	1.1
166.33031	0.7
172.03596	1.2
172.09705	1.3
228.77399	0.8
231.13751	0.8
265.08917	0.8
271.02573	0.8
334.08923	100.0
335.09222	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	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30582	0.9
57.03432	2.0
61.02913	3.7
62.85487	0.8
63.20021	0.9
69.03419	5.3
69.23118	0.8
69.23807	3.2
69.24227	1.1
71.04971	0.9
73.02911	1.7
73.42319	0.8
81.03394	3.4
85.02897	26.0
85.03414	1.3
91.03972	1.5
91.05465	10.4
91.84074	0.9
97.02879	7.2
98.98445	2.0
99.04416	1.3
99.93481	0.7
109.02851	2.6
113.00495	0.9
119.04131	1.1
119.04932	7.9
127.03896	4.7
137.05965	100.0
138.06287	2.9
144.06387	0.8
145.04965	8.6
151.07521	1.9
155.07013	6.5
161.05875	0.9
167.07040	1.1
179.06999	2.4
180.08632	3.0
196.50465	0.8
203.06938	1.9
228.86545	0.9
233.63977	0.9
263.09009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.0
55.05498	13.4
57.03427	4.9
57.07064	7.1
62.41745	2.9
67.05222	2.6
67.05503	31.8
69.07063	11.6
71.08624	13.9
72.04507	71.1
75.31325	2.9
79.05480	15.6
81.07043	24.5
83.08606	4.0
85.06541	3.8
91.05495	14.8
93.07044	24.3
95.04958	18.5
95.08607	30.2
97.06542	5.5
98.23486	7.4
99.08071	6.7
105.07049	15.8
107.08598	17.5
109.06512	21.9
109.10144	8.6
112.85341	2.8
114.09161	17.7
117.07007	4.0
119.08577	7.9
121.10138	6.5
123.11673	3.0
126.05255	2.8
128.10703	9.7
133.10121	12.0
135.11687	4.2
142.12260	6.0
143.50018	2.9
145.10117	6.1
147.11719	3.1
149.13261	4.5
156.13892	2.8
159.11676	3.2
165.12735	100.0
166.91971	3.0
173.13242	7.5
175.11177	4.0
179.14189	3.7
180.13831	4.4
182.15343	13.5
191.14310	6.5
198.77681	3.1
201.12732	4.8
212.16411	7.5
220.16940	12.1
229.19518	3.8
236.20071	37.9
261.22116	4.0
266.90179	3.2
271.20584	5.4
289.21564	11.7
311.31442	2.9
316.26093	3.2
334.23569	4.5
334.27328	41.4
335.25626	22.5
347.70471	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	335.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	2.8
58.67426	2.4
69.06980	4.3
69.07370	11.5
70.06598	3.9
88.07627	4.9
89.03895	6.7
96.36417	2.0
98.23431	4.6
105.91615	1.9
107.04955	2.4
114.09200	3.0
116.99555	1.9
117.03403	10.1
118.50733	2.1
119.12536	1.9
132.10182	8.1
133.88255	2.4
135.04402	22.8
145.02826	11.0
149.84349	2.0
163.03894	53.9
164.04337	2.7
173.02103	100.0
174.02467	2.3
177.84265	2.2
185.02066	36.3
186.02364	2.3
230.76761	2.1
334.29486	22.5
335.30045	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	335.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43017	3.9
79.05475	2.2
89.03912	11.9
95.04951	1.6
98.12347	1.2
107.04948	3.0
117.03384	14.4
131.16879	1.1
135.04411	27.5
135.05461	1.3
145.02827	13.4
163.03891	81.0
164.04227	2.8
173.02092	100.0
174.02487	2.9
185.02061	17.4
199.31671	1.2
291.16110	1.2
294.40189	1.1
332.73300	1.2
335.10104	3.5
335.14343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0736
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
51.45274	1.9
70.34393	4.0
94.93011	5.2
112.89612	7.0
136.94006	24.2
138.93802	22.5
179.16425	2.6
192.96695	5.5
260.89899	4.4
335.07355	100.0
336.07645	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
62.86227	2.5
63.75401	2.5
65.77212	2.6
67.75306	3.3
70.16926	6.2
70.17279	4.2
73.29340	3.1
93.79740	3.1
95.00693	3.2
98.97589	12.8
110.97617	3.3
116.98636	3.3
189.17899	3.5
203.18585	3.3
219.01779	7.2
237.02791	15.1
293.05396	8.1
293.10690	3.3
315.46765	3.2
335.07355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57493	0.7
57.07053	2.2
69.96837	0.7
69.97169	1.9
70.06593	6.9
72.08147	1.1
80.23899	0.7
84.08134	1.2
86.01896	0.9
86.09668	1.0
88.07611	2.5
90.05656	0.6
102.09154	1.4
126.63552	0.8
132.10172	2.5
135.04329	1.0
146.11714	2.5
184.20576	1.1
191.65373	0.7
206.85713	0.7
218.04616	0.9
228.23212	4.7
229.23462	1.3
272.25806	9.0
273.26129	2.4
273.70135	0.9
278.87677	0.7
289.08340	1.7
312.47455	0.8
317.07813	79.7
318.08185	5.4
334.29474	21.9
335.08765	13.9
335.12463	100.0
335.29837	10.3
336.09268	1.1
336.12772	5.4
353.13376	0.9
358.10187	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64644	0.2
74.72485	0.2
90.71093	0.2
98.06045	2.7
108.34653	0.2
119.01923	0.5
140.05502	1.7
158.06613	19.8
159.06770	0.9
161.03029	0.4
162.06142	0.3
170.06607	0.3
176.07671	11.5
177.00919	1.0
177.07886	0.5
182.99973	0.2
186.06088	0.4
188.07654	1.7
201.00917	0.3
202.04115	0.6
219.01987	2.1
219.03404	0.2
220.05249	0.3
221.01682	0.3
226.03891	0.6
228.05646	0.3
240.05663	0.8
240.97864	0.3
242.03497	0.3
244.05148	7.1
245.05344	0.6
246.06650	1.2
252.05646	0.6
256.05157	0.9
258.06705	3.6
259.06976	0.4
260.00272	0.3
261.03036	0.7
262.02994	0.4
263.02811	0.3
268.05243	0.5
270.06717	10.5
270.99084	0.6
271.06958	1.1
272.25708	0.2
275.09537	0.3
280.05118	0.3
282.06708	6.4
283.06857	0.6
285.05505	0.4
286.06204	3.4
287.06213	0.3
288.07849	0.4
291.37787	0.2
293.04681	0.3
293.10825	0.5
294.06635	5.4
295.06891	0.7
300.07758	19.5
301.07947	2.2
303.06448	0.3
305.08386	0.3
312.07742	100.0
313.00192	0.4
313.07886	11.9
314.08051	0.4
330.08734	0.3
335.09256	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	35.5
57.03432	24.0
57.82739	4.2
64.89774	4.8
67.05495	100.0
68.48612	4.5
69.07072	27.7
69.09294	32.8
72.04503	7.8
79.05479	45.3
81.07056	81.2
82.07413	5.0
83.08604	11.6
89.20964	5.9
91.05472	32.4
93.07040	50.0
95.04948	10.6
95.08601	77.9
97.06517	9.7
101.98901	4.6
105.07014	20.9
107.08561	30.6
109.06512	6.2
109.10140	19.2
114.09142	4.9
119.08597	15.4
121.10135	23.3
123.11717	7.5
131.08566	13.0
133.10117	11.4
135.11711	9.7
137.13164	5.4
147.11656	9.2
161.13234	7.7
165.12761	19.3
166.12988	5.4
182.15356	5.7
215.14384	7.1
233.15292	26.5
261.21896	6.9
289.21085	6.1
335.10287	14.4
335.12650	7.1
335.16095	33.7
335.21936	18.7
335.25763	89.1
344.61029	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
62.02301	0.6
65.03944	3.2
67.05491	3.9
69.03416	0.7
69.07063	100.0
69.59331	1.7
70.06600	1.2
70.07399	1.7
72.08190	0.7
73.72398	0.6
77.03911	0.8
79.05495	1.4
80.05020	1.1
81.05828	0.8
81.07048	4.6
82.06564	0.8
91.05484	0.9
92.05009	3.3
93.05771	1.4
93.07032	1.2
94.06561	4.8
95.04960	1.2
95.54073	0.6
96.08138	0.8
97.06518	15.6
98.23462	0.6
104.04941	0.5
105.04452	0.7
105.07053	0.5
107.08652	0.8
108.04443	1.0
109.06493	1.0
110.06034	0.8
119.03684	0.8
120.04456	0.8
120.08102	1.4
121.05202	1.0
122.06035	7.7
124.07588	1.4
125.05949	1.3
129.07018	0.6
130.06528	1.4
132.08122	0.8
134.06004	0.7
137.05991	2.5
138.05495	5.2
140.07060	9.0
141.07867	0.8
142.08627	1.2
143.08505	0.6
144.08081	2.0
145.08839	2.4
145.10016	1.0
146.09612	4.5
147.06766	0.8
148.03969	2.6
150.05492	77.1
151.05826	2.0
152.03445	0.9
155.08466	0.7
157.08873	3.3
157.10011	0.6
158.09636	1.3
159.10454	1.3
160.07565	1.4
160.11217	0.7
161.08354	4.2
162.09119	2.4
164.03406	1.4
164.07057	1.0
165.04155	1.2
166.04987	29.9
167.05383	1.1
167.07285	0.7
168.06581	1.6
172.07549	1.2
172.11211	5.0
173.08316	2.6
173.09648	0.8
174.09076	1.4
174.12741	7.1
176.03406	7.2
178.04958	2.3
182.04474	0.8
185.08379	1.6
186.07620	1.5
186.09125	1.1
188.10756	1.3
190.08519	0.9
190.12219	5.0
192.02931	1.0
194.04407	3.0
198.09271	0.7
199.06322	0.7
200.07156	0.8
200.10686	6.9
202.08618	1.0
202.12244	9.6
207.04073	0.7
213.10124	1.2
216.10139	4.2
218.08136	2.1
218.11740	32.3
219.12059	1.9
225.10086	0.6
226.08661	1.1
227.11754	0.9
228.07982	1.1
228.10179	17.2
229.10568	1.2
229.13350	1.9
234.11203	4.0
234.98457	0.6
242.10602	0.8
243.11217	1.5
244.09630	1.8
245.12643	2.7
246.11237	26.6
247.11635	1.4
254.08101	0.7
255.11223	1.1
256.09692	1.1
257.09177	0.6
261.12314	1.2
262.32275	0.6
271.07538	0.8
271.10672	4.5
272.09048	3.4
273.12360	3.5
274.10730	2.8
287.10239	7.7
288.10641	1.0
289.11771	10.6
290.10126	1.4
291.13394	1.0
299.10236	6.3
317.11295	24.9
317.22067	1.3
335.12347	16.1
335.23206	1.1
336.12598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20717	0.6
57.07063	1.5
58.24198	0.5
62.75660	0.5
69.12724	3.3
70.06582	4.2
84.59322	0.6
86.09676	0.8
86.18286	0.5
88.07624	1.8
102.09164	0.9
131.04968	0.8
132.10162	1.1
136.05492	0.6
146.11766	2.1
184.64587	0.7
228.23228	2.3
272.25858	4.2
273.26099	3.6
286.36768	0.7
307.12854	3.7
334.29449	9.5
335.12488	100.0
335.29800	8.8
336.12851	7.5
353.13641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25726	1.1
53.14987	1.2
57.07063	1.4
59.41677	1.1
62.69072	1.3
67.05508	1.3
81.07033	2.4
88.07620	2.3
93.07068	1.6
125.47894	1.2
157.07254	1.6
174.23410	1.3
209.05859	1.8
214.09393	1.4
242.24783	1.9
287.18869	1.4
289.12357	1.8
299.19324	1.6
334.29459	5.8
335.12527	100.0
335.21509	8.0
335.29633	3.1
336.12747	5.3
341.37698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.6
57.03434	6.9
57.07073	1.8
65.03920	0.8
67.05157	1.5
67.05498	20.6
69.07062	4.1
69.23131	3.5
71.08619	1.7
72.04135	1.0
72.04514	10.8
73.04826	1.4
79.05483	11.4
81.06577	1.2
81.07053	23.1
83.08609	2.4
85.06537	0.8
91.05463	6.0
93.07047	12.2
95.04955	3.1
95.08601	17.4
96.08950	1.0
97.06574	1.0
97.10217	0.9
98.22758	1.4
99.08089	1.7
105.04501	1.0
105.07024	3.6
107.08588	7.5
108.08861	0.7
109.06511	2.9
109.10156	8.6
110.06843	0.7
114.09174	2.3
117.07020	1.6
119.08562	3.3
119.89098	0.7
121.10146	6.7
123.08085	1.0
123.11697	2.2
131.08562	3.1
133.10147	3.0
135.11699	4.4
145.10138	2.0
147.11690	2.4
149.13264	3.2
153.75923	0.7
157.10034	0.8
159.11708	1.9
161.13210	1.3
163.14781	1.5
165.12770	10.4
166.13078	3.4
173.13214	2.4
182.15411	1.9
183.15680	0.7
201.16418	0.9
212.16479	1.0
236.20059	2.4
237.20442	3.0
243.21071	1.6
251.10419	19.6
252.10771	0.8
261.22202	3.3
317.15106	10.1
334.27411	1.4
335.16144	100.0
335.25439	21.1
336.16437	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09743	0.7
55.88050	0.7
59.21418	0.6
59.81178	0.6
69.28374	3.3
78.76466	0.7
98.23499	0.8
153.00633	0.7
170.04015	0.6
195.09859	1.8
335.21881	100.0
336.22150	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05502	7.1
57.03434	6.2
65.98148	0.8
67.05501	26.4
69.07072	6.0
69.43624	3.9
70.88574	0.8
79.05489	13.8
81.07054	19.8
83.08618	1.9
91.05473	5.6
93.07035	12.3
95.04984	2.6
95.08604	14.8
105.07047	3.0
107.08575	5.3
109.10159	4.8
111.08097	0.9
117.07008	0.9
119.08564	2.1
121.10129	6.3
123.11717	2.0
131.08582	2.2
133.10054	1.0
135.11731	2.8
145.10146	1.6
145.75888	1.0
149.13242	1.5
151.32057	0.8
153.64389	0.9
161.13213	0.9
175.25607	0.9
195.09981	3.1
206.52905	0.9
233.11699	0.8
261.22205	1.0
288.92044	1.0
335.15833	2.7
335.21967	100.0
335.25851	20.3
336.18887	1.0
336.22391	3.8
336.25900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20898	0.5
63.76498	0.6
68.10505	0.6
70.06573	0.6
76.72213	0.6
86.20695	0.7
88.07603	2.5
155.27251	0.6
163.80618	0.7
242.95177	0.6
243.25069	2.2
258.12262	0.6
287.27487	0.8
288.91858	0.6
335.12625	32.2
335.21884	100.0
335.29788	8.8
336.12955	3.0
336.22122	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83773	0.5
57.16280	0.6
62.06086	0.5
70.08642	0.7
70.08972	0.9
74.83285	0.5
77.29593	0.5
78.09578	0.5
88.07633	0.7
88.96774	0.5
120.34880	0.5
133.10118	0.6
183.35028	0.5
195.09938	1.5
317.20639	0.5
335.13187	3.8
335.21887	100.0
335.30072	2.1
336.22092	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	335.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	4.2
53.03928	6.6
55.05510	28.1
57.03428	10.8
57.07068	7.5
62.14062	4.0
63.04507	4.0
63.77492	4.3
65.12395	3.9
67.05500	80.6
69.07054	31.4
71.04978	20.7
77.03934	4.2
79.05482	64.0
81.07050	88.6
83.08599	11.7
85.06548	5.0
91.05481	67.6
93.07036	75.0
95.04964	30.3
95.08596	69.9
97.06507	7.9
104.83495	4.5
105.04535	6.7
105.07031	84.2
107.08591	54.4
109.06490	9.4
109.10133	28.7
115.05428	8.3
116.06197	8.8
117.07006	19.7
119.08571	87.1
121.10139	38.3
123.08069	10.2
123.11684	7.2
128.06212	9.4
129.06999	16.5
130.07767	6.0
131.07649	8.8
131.08562	85.6
133.10118	100.0
135.08035	12.7
135.11670	18.4
142.07747	20.6
143.08559	33.0
144.09221	4.7
145.10110	68.3
147.11696	22.8
149.09579	7.0
149.13252	9.1
155.08533	17.8
156.09305	18.2
157.10109	44.8
158.10847	15.2
159.11649	21.3
161.09613	10.1
161.13264	6.7
163.14822	6.0
165.06969	5.1
166.72134	5.2
167.08652	7.6
169.10106	14.3
170.10834	9.5
171.11688	28.2
173.13234	62.1
175.14769	18.0
179.08574	9.1
181.10083	9.1
182.10828	9.1
183.11664	13.6
185.13260	14.7
187.14821	20.3
189.12665	4.3
193.10114	5.6
194.10812	4.4
195.11664	20.5
197.13232	23.9
199.14830	25.2
207.11659	11.4
208.12137	5.4
209.13194	17.9
211.14790	12.1
212.15536	12.5
221.13173	10.4
223.14827	8.7
235.14880	6.7
237.16328	6.3
247.14693	7.5
251.17879	10.8
261.22113	7.3
277.19470	17.7
335.22690	10.6
335.25662	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01864	1.2
55.05506	25.4
57.03431	27.4
57.07072	2.8
65.03925	3.8
67.05496	100.0
68.05826	1.4
69.03423	1.1
69.07059	23.8
69.56551	1.5
71.04986	3.1
71.08617	0.5
73.06566	0.7
77.03928	1.1
79.05484	51.9
80.03698	0.4
80.05848	0.8
81.03423	0.8
81.07047	83.3
82.07392	2.0
83.04970	2.1
83.08612	8.0
85.06528	1.8
86.37121	0.4
91.05471	23.0
92.05812	0.5
92.13967	0.4
93.07034	52.6
94.07368	1.1
95.04955	6.7
95.08593	63.2
96.08922	1.5
97.06508	3.1
97.10149	2.8
98.22703	0.8
99.08088	0.8
105.04516	2.5
105.07018	12.5
107.04973	0.4
107.08583	22.1
108.08901	0.8
109.06493	2.2
109.10144	22.4
110.10445	0.6
111.08081	1.6
113.05842	0.4
113.09597	0.4
117.07001	3.8
119.08563	8.7
121.06544	0.6
121.09258	1.0
121.10133	18.6
122.10471	0.7
123.08075	2.3
123.11696	6.5
124.66702	0.4
131.08560	6.5
133.10109	7.3
135.08035	0.5
135.11673	8.6
137.09596	1.4
137.13242	1.5
145.10092	4.0
147.11647	4.2
149.09641	1.1
149.13239	4.4
151.11140	1.1
151.14774	0.6
159.11668	3.3
161.13245	3.2
163.11179	0.8
163.14784	1.9
165.12810	0.5
173.13274	2.4
175.14771	1.1
177.16345	0.8
179.14297	0.5
187.14752	1.6
191.14275	0.8
201.16214	0.4
212.69907	0.5
243.21068	0.7
261.22128	2.9
317.24399	0.5
335.21887	8.9
335.25711	75.2
336.22394	0.7
336.26068	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.47223	0.8
53.03934	2.5
55.01856	1.5
55.05507	23.5
55.05775	1.1
57.03435	26.2
57.07065	3.9
65.03940	3.1
67.05499	100.0
68.05826	2.4
68.73625	0.8
68.91756	0.9
69.03404	1.5
69.07060	24.5
70.02023	1.3
70.02354	1.5
71.04979	2.1
77.03896	1.9
79.05486	52.6
81.07049	91.6
82.07373	2.0
82.66756	0.9
83.04960	3.1
83.08611	10.5
83.17181	1.1
85.06538	2.8
91.05473	24.8
93.07037	61.8
94.07352	1.4
95.04974	7.1
95.08598	73.2
96.08912	1.8
96.26826	0.8
97.06522	3.3
97.10162	3.5
98.31858	0.8
99.08092	1.8
105.04494	2.2
105.07020	18.2
107.08580	27.2
109.06545	4.4
109.10146	33.1
111.08067	1.9
117.06999	5.3
119.08578	12.3
121.10126	21.3
123.08067	2.1
123.11716	9.0
125.09621	1.0
131.08560	11.9
133.10110	11.1
134.10507	0.9
135.11682	14.7
137.09641	1.7
137.13239	3.8
139.11235	1.0
143.08472	1.5
145.10051	7.4
147.11671	9.2
149.09581	1.2
149.13232	7.6
151.11153	1.2
157.10020	1.1
159.11685	5.4
161.13205	5.9
163.11191	1.2
163.14841	3.3
165.12741	5.8
166.12935	0.9
173.13269	6.4
175.14810	2.3
177.12686	1.3
179.14259	2.0
183.80595	0.9
187.14813	3.3
200.42917	0.9
237.06070	0.8
243.21068	6.1
261.22089	7.3
262.22507	1.6
278.92090	0.8
317.24774	4.2
335.25772	87.1
336.26126	7.6
350.44727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.81663	1.7
51.13037	1.6
53.03941	3.3
55.01860	2.6
55.05514	25.3
57.03437	26.6
57.07057	2.7
65.03921	4.4
67.05502	100.0
69.07066	23.6
71.04971	2.4
71.43418	1.9
72.14458	1.8
79.05485	45.3
79.94896	1.8
81.07053	76.7
83.04984	4.0
83.08604	10.4
85.06510	2.2
87.04504	1.8
91.05478	22.7
93.07035	44.9
94.07355	2.0
95.04955	8.0
95.08599	61.5
97.06525	3.2
97.10137	2.1
105.04514	2.1
105.07044	13.0
107.08040	1.9
107.08599	22.1
109.10145	22.6
114.22356	2.2
117.07000	5.9
119.08553	10.0
121.10154	19.1
123.11719	5.9
131.08565	7.5
131.51543	1.9
133.10146	4.9
135.11696	10.0
145.10133	5.4
147.11630	3.8
149.13226	4.6
159.11617	2.9
161.13223	2.1
173.13257	3.4
235.43886	1.7
315.24506	1.9
335.21994	6.4
335.25784	85.5
336.26013	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	336.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.05507	0.9
65.03929	2.1
67.05501	21.0
79.05473	0.7
79.86017	0.3
83.04971	6.5
91.05441	0.8
93.03402	3.1
93.07018	0.7
94.06561	21.3
95.04967	1.4
97.06524	0.5
105.03372	0.6
106.09479	0.5
111.04430	3.7
120.08073	0.8
121.02834	0.5
122.06020	100.0
123.04399	0.7
123.06336	2.1
125.05992	1.3
126.01088	0.5
127.07590	0.5
130.36353	0.4
136.07559	6.4
137.06000	2.6
138.09122	0.4
139.03888	16.8
139.04964	0.8
151.07565	0.6
153.05472	2.4
165.05428	1.1
167.03389	8.3
174.09038	0.5
185.04442	5.9
188.10701	2.3
190.08624	0.5
197.08116	1.5
199.06001	11.7
202.12257	0.6
212.10825	0.5
213.09077	0.6
216.10190	1.5
230.11797	1.9
240.10136	0.5
244.09686	1.1
258.11188	3.3
276.12296	0.6
286.10742	3.2
304.11774	7.4
318.13483	0.7
336.14410	3.0
337.07123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
53.80175	0.5
55.01873	0.8
55.05502	8.9
57.03424	1.1
57.07069	2.0
61.02915	1.0
66.75307	0.5
69.03423	4.6
71.43963	0.4
72.04508	92.6
72.08139	1.4
73.04851	1.2
81.03405	1.2
82.06581	1.8
83.08596	2.3
85.02896	13.9
85.12888	0.4
86.09696	3.3
87.04465	0.5
91.03941	0.6
97.02869	4.0
99.04459	1.0
100.07603	0.6
100.11248	8.2
102.08522	0.6
102.09171	8.1
109.02865	1.6
110.06054	1.1
111.04434	0.6
114.09158	34.2
115.03902	0.5
120.08061	0.6
124.00443	0.5
126.01067	1.4
127.03895	1.8
127.08690	0.5
128.14319	2.8
130.51720	0.5
139.08632	1.4
145.04947	1.4
146.15393	2.7
156.13820	84.8
157.14110	2.3
171.17734	0.5
174.14879	100.0
175.15215	2.8
182.15404	0.9
187.64990	0.4
197.60376	0.5
209.16487	7.0
210.14861	1.5
294.04825	0.4
336.19522	2.2
336.23245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0704
Annotation	Haemodorol
Peak:m/z	Relative Intensity
67.05507	0.6
69.03422	0.5
69.07053	0.5
79.05505	0.5
80.60794	0.2
81.07060	1.4
90.53646	0.2
91.05471	0.4
93.07049	0.5
95.04933	0.3
95.08604	0.9
105.07005	0.3
107.08582	0.9
107.39080	0.2
109.10139	1.1
119.08587	0.7
121.10112	0.6
123.08042	0.3
123.11650	0.6
133.10126	0.4
135.11655	0.3
137.09583	0.3
139.05414	0.3
145.10117	0.3
151.03856	0.3
151.11180	0.3
153.07039	0.3
154.07841	0.3
161.09627	0.3
164.04909	0.3
164.06186	0.4
165.06999	10.4
166.07617	0.3
169.06485	0.3
173.02341	0.5
176.06212	0.9
177.05705	0.3
177.06946	1.6
181.06499	1.2
182.07242	1.5
188.04669	1.4
189.07100	0.3
192.05681	1.6
193.06483	6.8
193.08131	0.5
194.07222	1.9
196.05197	0.5
205.06453	3.5
209.05984	0.7
210.06744	7.9
211.07324	0.7
213.01842	0.4
220.05167	3.5
221.05969	12.1
222.06683	2.2
223.07411	0.3
224.04602	0.7
225.09126	1.9
233.05966	3.2
234.06671	0.6
235.07552	1.1
237.05501	2.7
237.09090	0.6
238.06229	9.5
239.06865	0.8
245.06212	0.3
247.07521	0.3
248.04701	2.3
249.05464	16.3
250.06204	5.1
251.03384	0.8
252.04179	2.7
253.08577	3.5
259.03873	1.6
260.04797	0.5
261.05505	0.9
262.06482	0.6
263.07010	3.6
264.07779	0.6
265.04971	2.6
265.08597	1.0
266.05740	15.6
267.06210	1.6
276.04166	3.4
277.04950	33.0
278.05566	4.5
279.02887	0.9
280.03622	1.5
280.07251	0.8
281.08060	9.8
282.08423	0.6
289.05008	0.7
291.06522	2.6
292.07101	0.7
293.04410	3.4
293.08044	1.7
294.05206	21.7
295.05963	9.2
296.06390	0.4
304.03687	1.2
305.04431	7.1
305.07718	0.3
306.05002	1.5
309.07544	31.3
310.07877	2.2
319.06018	4.9
319.22586	0.4
321.03812	0.4
322.04709	4.0
337.07040	100.0
338.07431	5.6
355.08536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41025	4.9
70.35310	8.4
101.35787	4.7
164.06168	4.3
172.46782	5.0
179.40036	4.9
205.64270	5.4
210.62869	4.0
337.08649	70.1
337.10992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
98.23518	2.4
118.09486	1.4
135.07361	1.3
144.97891	1.5
257.11206	1.3
275.10422	1.6
319.09540	3.8
337.10464	100.0
337.13757	4.2
338.10883	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	337.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37442	0.5
69.10402	1.1
69.10798	3.3
74.71141	0.5
95.08590	0.6
110.37492	0.5
123.11730	0.8
167.37044	0.5
171.05609	0.7
212.92888	0.5
266.05707	0.8
277.04913	0.8
309.07504	1.0
318.63107	0.6
319.09506	0.5
337.10446	100.0
337.13693	3.8
338.10843	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	337.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39716	5.4
55.05500	37.1
57.03426	29.1
57.07069	7.7
64.97015	5.4
67.05500	83.7
68.05826	5.8
69.07071	51.8
69.62054	22.0
79.05489	30.5
81.07050	100.0
83.08599	33.2
91.05469	24.6
93.07026	33.4
95.08605	73.9
97.10157	8.7
105.07034	16.9
107.08589	18.6
109.10132	20.5
119.08567	8.7
133.10088	8.8
152.59618	6.2
222.68607	5.8
244.09055	6.3
337.11984	60.1
337.17715	23.6
337.23373	34.8
337.27240	99.0
354.03156	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	337.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24852	1.6
56.59685	1.6
63.97851	1.9
65.03932	7.1
68.43848	1.7
70.51051	2.4
70.51370	1.7
73.02901	1.8
79.05482	3.1
83.34973	1.7
85.02898	3.5
85.32371	1.6
91.05473	1.9
92.04980	12.5
96.08099	9.6
97.23463	1.6
105.03383	12.9
114.07402	1.6
120.04471	1.9
124.07583	6.9
126.09148	16.4
138.05502	1.8
138.09123	5.3
144.07904	1.6
148.03918	6.8
148.20093	1.5
150.05513	2.7
152.07056	49.4
164.03409	2.2
166.04979	100.0
167.05333	2.6
176.03409	15.9
182.04471	19.0
184.09903	2.7
194.04562	11.5
198.07791	3.5
199.08571	2.7
199.12184	1.8
200.10767	4.8
211.08575	3.6
212.09419	7.1
213.10144	3.8
215.07892	1.8
225.10187	7.0
226.10902	2.7
227.08229	3.1
227.11684	10.4
228.10170	4.7
230.67165	2.1
233.09193	5.8
240.08896	3.7
241.09734	3.4
242.10509	5.7
253.09631	6.7
255.11270	12.7
257.09088	2.4
259.07181	2.5
261.12170	3.0
271.10699	12.9
272.09232	2.5
273.08978	2.0
273.12286	4.9
283.10757	71.5
284.11115	4.2
289.11923	12.3
301.11792	62.7
302.12180	2.4
319.12842	64.8
320.13348	3.1
337.08954	2.2
345.05884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1409
Annotation	Pyriferine C
Peak:m/z	Relative Intensity
54.45713	0.7
56.89804	0.6
57.07073	1.9
59.42740	0.6
59.81797	0.6
70.06590	5.2
70.73904	1.2
71.06918	2.2
79.79922	0.6
87.10056	0.7
88.07628	1.4
94.28205	0.6
116.04507	0.6
132.10170	1.8
133.10535	1.2
146.11806	1.4
147.12111	1.3
148.12270	0.9
154.61372	0.6
229.23463	0.7
230.23875	1.7
272.25787	2.1
273.26126	2.8
274.26453	10.2
275.26862	1.9
336.30106	31.5
337.10791	4.8
337.14084	100.0
337.30350	8.5
338.14365	5.7
345.64441	0.7
355.15063	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	337.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80293	6.7
55.01866	9.4
55.05497	19.0
57.03436	39.9
65.03901	8.6
67.05493	15.2
69.03416	21.4
69.37514	33.3
73.82473	6.6
74.59220	6.4
75.97818	7.0
79.05479	45.3
81.03409	10.7
81.07053	19.0
83.04978	23.8
91.05464	58.7
93.07035	45.3
95.04957	43.5
95.08621	17.4
96.92274	8.6
97.06544	16.5
105.07005	55.9
107.04948	47.9
107.08575	38.2
109.02872	22.1
109.06500	37.7
115.05454	21.5
117.07028	31.5
119.04910	10.5
119.08587	35.2
121.06494	29.2
123.04447	17.6
128.06206	23.9
129.06976	36.8
130.07732	6.9
131.08565	100.0
133.06506	14.7
133.10132	13.5
135.08023	84.1
137.05952	8.0
137.09494	6.6
137.94951	7.0
141.07001	23.3
142.07733	11.7
143.08559	78.0
145.06453	23.1
145.10117	27.2
147.04341	11.3
147.08038	29.2
147.11763	10.6
149.09599	12.9
155.08516	12.6
156.09373	28.5
157.10100	18.8
159.08041	61.4
159.11705	23.8
161.05969	28.7
161.09602	20.6
161.13261	9.9
163.07527	31.3
166.07759	17.3
169.10080	9.3
171.08006	11.4
171.11653	69.4
173.09650	19.0
175.07530	9.8
175.11157	15.2
177.09100	38.8
181.08614	8.0
181.10127	20.6
184.08937	9.3
185.09679	10.8
187.07518	39.9
187.11067	12.0
189.09108	9.1
189.12718	32.2
199.11182	61.0
201.09125	14.7
205.08578	26.5
215.10695	11.8
217.12207	43.0
219.10210	27.0
227.10672	23.9
235.13324	11.5
240.19872	7.4
245.11726	66.8
262.17514	7.7
263.12772	91.7
270.35422	7.6
314.16486	8.5
322.19934	7.8
336.24927	8.7
337.16806	27.5
337.25525	10.3
338.17355	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	337.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88285	0.4
69.08457	2.7
79.05489	0.4
97.00078	0.3
108.00952	0.4
108.27849	0.4
203.08563	0.5
231.08034	0.4
232.08670	0.4
263.26541	0.3
300.56110	0.4
305.08112	0.6
319.09564	0.9
337.17694	100.0
338.18030	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	337.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01864	6.7
55.05256	2.5
55.05507	31.5
57.03430	20.9
57.07068	21.7
58.83644	1.6
61.02932	5.6
67.05498	45.5
69.03422	17.1
69.07057	30.2
70.68621	2.2
70.68957	2.1
71.01349	4.3
71.04994	9.6
71.08620	2.1
73.02901	10.7
73.06553	4.2
74.09727	1.9
75.04472	2.9
79.05486	37.2
80.52541	1.4
81.03400	3.9
81.07049	69.4
83.04971	11.0
83.08602	13.8
85.02902	12.4
85.06532	27.0
87.04459	5.0
91.05467	21.2
93.07034	22.1
95.04961	6.7
95.08603	27.8
97.02895	2.4
97.06545	7.9
97.10156	6.2
99.04458	6.2
99.08085	5.0
103.03938	4.4
103.07568	3.2
105.07035	6.1
107.04935	2.1
107.08600	14.5
109.06514	21.5
109.10157	10.0
111.04436	7.2
111.08062	35.4
115.03948	4.4
115.07585	3.8
117.07027	3.0
119.08569	2.8
121.10164	1.8
123.08068	6.2
123.11753	3.5
125.09626	6.9
127.07534	16.3
129.05453	3.5
129.09091	4.7
133.10118	31.9
135.08049	4.7
141.09048	2.6
149.09607	100.0
150.09998	3.0
153.09085	24.2
171.10159	25.1
171.11562	2.6
189.11205	5.7
211.08165	1.6
263.23611	2.6
337.27313	32.1
338.27768	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04200	1.7
54.45813	1.6
55.01862	3.1
55.05506	5.0
67.05488	8.1
68.70924	1.7
69.03416	3.0
69.07056	5.1
69.81120	4.8
69.81496	3.5
71.04974	6.0
79.05486	7.3
81.07043	16.7
83.04979	3.9
85.06538	18.1
91.05472	14.8
91.97294	1.9
93.07034	11.6
95.04951	11.6
95.08587	5.2
97.06483	2.8
98.22774	2.8
98.97564	8.5
105.07024	32.0
107.04936	3.5
107.08559	7.6
107.84554	2.0
109.06511	4.7
109.10169	2.6
110.77932	1.7
114.38300	1.8
116.91872	1.8
116.98597	5.9
117.07005	12.6
119.08569	17.1
121.06503	5.2
121.10152	4.8
123.07970	3.8
128.06253	9.2
129.06995	14.2
130.07771	3.9
131.08557	21.7
133.06462	3.6
133.10120	11.3
135.08038	5.4
141.06915	3.9
142.07735	5.9
143.08554	39.2
144.09192	2.3
145.06429	3.0
145.10114	37.1
147.08040	9.4
147.11685	7.3
149.05901	2.3
149.09612	7.0
151.07541	2.3
155.08487	10.7
156.09302	4.0
157.10117	24.5
158.07291	1.9
159.11676	16.2
161.09602	16.3
161.13220	5.5
165.07056	4.8
167.08624	3.0
169.10031	3.2
170.10899	3.5
171.08015	2.7
171.11650	9.0
173.09615	27.8
174.13484	2.0
175.11200	5.5
175.14819	4.4
180.09317	4.2
183.11569	2.6
183.78850	1.9
185.09703	2.2
185.13231	25.9
185.88026	2.1
187.11133	3.9
189.09091	3.7
189.12717	5.2
191.10629	4.5
195.11574	9.7
201.12766	7.2
203.14267	12.9
213.12724	27.9
214.13240	1.9
231.13783	100.0
232.14116	5.0
249.14848	7.4
288.43051	1.9
306.09421	2.0
314.16318	1.9
319.19202	2.6
337.10431	62.8
337.20316	10.2
338.10864	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	337.2371
Annotation	HXB3
Peak:m/z	Relative Intensity
53.03929	3.0
55.01846	2.2
55.05506	83.3
56.05838	1.5
57.03435	10.8
57.07076	6.5
59.04980	3.8
65.03922	2.4
67.05497	47.2
68.05807	1.6
69.03409	2.9
69.07061	36.7
71.04980	11.3
71.08626	1.8
71.42778	0.9
73.06524	1.0
79.05484	23.8
81.07047	66.5
82.07369	2.2
83.04973	100.0
83.08605	18.8
84.05292	1.8
85.06534	5.6
85.57947	0.9
91.05473	22.9
93.07034	53.1
93.66122	0.9
94.07359	1.6
95.04952	6.3
95.08594	51.2
96.08907	0.9
97.06528	11.2
97.10159	6.7
99.04430	3.2
99.08073	3.3
101.06003	3.7
105.04526	2.0
105.07022	35.5
106.07356	1.0
107.08580	38.3
108.08867	1.4
109.06516	4.3
109.10148	28.0
111.08059	6.8
111.11687	2.6
117.07013	5.8
119.07748	1.9
119.08562	31.5
121.06465	2.1
121.10130	36.1
122.10465	1.2
123.08070	5.1
123.11697	13.8
125.09604	3.5
129.07004	1.0
131.08554	9.5
133.09193	1.0
133.10127	18.1
135.08070	2.0
135.10748	1.7
135.11684	18.2
137.09598	1.7
137.13234	3.1
139.11186	4.5
141.09074	1.7
143.08537	2.1
144.09305	1.7
145.10115	21.3
147.11694	10.1
147.75369	1.0
149.09575	2.2
149.13246	7.1
151.11118	3.9
151.14836	1.1
157.10097	1.4
159.11676	27.0
161.13249	23.5
163.11180	8.6
163.14798	2.5
165.12631	1.3
173.13249	3.0
175.14801	4.9
176.11981	0.9
177.12733	4.1
177.16368	4.0
181.12260	1.5
191.14270	1.2
191.17976	4.6
201.16342	14.2
219.17409	7.5
237.18488	2.4
244.80823	0.9
337.10388	1.6
337.23709	3.4
337.27289	34.4
338.27548	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
52.95266	1.2
53.03933	2.4
55.05517	9.3
57.07075	1.9
67.05504	20.9
69.03425	4.2
69.07061	5.4
71.04974	1.7
71.21891	1.8
76.06647	1.2
79.05494	14.6
81.07056	95.0
82.07378	2.2
83.04993	2.8
83.08600	2.2
91.05502	9.1
91.05973	1.6
93.07056	16.9
95.04957	4.9
95.08603	22.7
97.06519	4.9
105.07023	15.9
107.08602	17.6
109.06496	7.1
109.10161	15.0
109.64813	1.2
111.08068	3.6
117.06998	2.1
119.08585	21.0
121.06490	6.0
121.10154	14.5
123.08089	3.0
123.11706	100.0
124.12014	2.7
126.01061	3.8
128.02641	5.8
129.06969	2.4
131.08609	8.5
133.06580	1.4
133.10139	16.3
135.08047	18.1
135.11684	3.7
137.09633	1.5
142.07771	2.0
143.08572	5.5
143.43752	1.4
144.09346	1.4
145.10107	13.4
146.07330	1.4
147.08060	5.6
147.11661	6.3
149.09595	8.4
151.11156	1.9
156.09349	1.8
157.10101	6.6
159.08052	4.5
159.11674	9.3
161.09622	21.9
161.13261	4.6
163.11214	2.2
169.10138	2.7
170.10742	1.5
171.11685	3.8
173.09612	3.5
173.13297	6.4
175.07610	1.5
175.11201	5.5
175.14799	5.0
177.12675	2.2
185.09622	1.7
185.13213	4.7
187.11200	3.8
187.14787	6.9
189.12729	3.4
191.14313	5.5
195.11743	1.7
199.14806	4.4
201.12778	3.7
201.16417	1.7
203.14308	33.1
204.14671	1.9
209.13287	2.0
213.12764	2.4
213.16466	1.6
215.14270	7.5
217.15878	7.6
233.58624	1.5
235.16919	1.8
248.04630	1.6
255.21205	2.5
265.19647	2.6
266.05731	1.8
283.20517	8.8
294.05264	2.2
301.21597	20.7
309.07593	2.3
319.22708	26.3
320.23047	1.7
337.06760	10.4
337.10413	5.1
337.23709	67.4
338.24039	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	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.51989	0.4
51.02368	0.4
53.03931	1.8
55.01862	1.5
55.05506	39.7
55.40857	0.4
56.05841	0.6
57.03432	28.2
57.06811	0.6
57.07071	7.3
59.04998	0.6
64.92458	0.4
65.03931	2.8
67.05497	94.4
68.05835	1.1
69.03373	0.6
69.07059	51.4
70.07399	1.0
71.04974	1.9
71.08616	2.0
77.03886	0.6
79.05487	23.3
81.07047	85.3
82.07395	1.5
83.04980	3.0
83.08610	24.3
85.06514	2.1
85.10150	1.2
91.05470	14.6
93.07034	23.0
95.04964	2.8
95.08595	63.1
96.08922	1.4
97.06517	6.1
97.10155	13.3
99.08083	2.0
100.60552	0.4
101.05959	0.5
105.04482	0.9
105.07018	10.2
107.08582	12.9
109.06519	1.2
109.10140	23.4
110.10474	0.4
111.08065	2.5
111.11685	2.9
113.09659	0.8
117.06892	0.4
119.07742	0.6
119.08564	7.7
121.09267	0.6
121.10130	8.4
121.88858	0.4
123.08064	1.4
123.11695	11.0
125.09583	1.6
125.13257	0.5
125.77769	0.4
127.07557	0.5
127.11308	0.3
131.08571	1.2
133.10120	8.5
135.11676	5.6
137.09598	1.6
137.13239	4.2
145.10104	0.9
147.11656	5.3
149.13266	2.9
151.11125	0.8
151.14783	2.1
153.12773	1.1
159.11649	0.7
161.13255	4.2
163.14812	2.2
165.12706	0.6
167.14275	0.6
175.14819	2.4
177.16406	0.6
179.17984	0.6
189.16374	1.4
193.15828	0.7
194.45287	0.5
201.16263	0.6
203.18048	1.0
207.17438	0.6
245.22710	1.8
263.23746	3.4
329.07089	0.5
337.27316	100.0
338.27673	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	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03938	1.5
55.01876	1.9
55.05505	42.0
57.03432	25.7
57.07076	7.4
57.95057	1.2
65.03928	2.8
67.05499	85.2
68.05841	1.5
69.07063	44.2
69.53015	1.2
70.67792	1.9
71.04993	2.1
71.08610	2.2
79.05483	24.6
81.07048	87.6
83.04974	2.9
83.08614	23.6
85.06538	2.1
91.05472	16.5
93.07035	20.1
93.47885	1.3
95.08596	65.2
97.06504	4.1
97.10170	13.0
99.08073	2.6
104.99250	2.2
105.07015	12.3
107.08593	12.4
109.10148	26.7
111.08052	2.5
111.11697	2.6
113.09643	1.8
119.08585	6.8
121.10135	9.5
123.08082	2.0
123.11704	9.4
125.09631	1.3
131.08513	2.0
133.10080	7.3
135.11685	5.8
137.13242	3.9
147.11697	3.8
149.09625	1.3
149.13258	5.0
161.13232	5.6
175.14838	4.5
221.15297	2.2
245.22653	3.8
263.23721	5.1
321.03720	1.4
332.20874	1.3
337.10376	1.7
337.27328	100.0
338.27722	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	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	3.1
55.05509	47.4
57.03180	2.2
57.03435	31.9
57.07056	6.4
61.91056	1.7
65.03922	3.2
65.62116	1.7
67.05502	100.0
68.05814	4.2
69.06715	3.5
69.07065	52.1
69.30962	9.4
70.87040	1.8
71.04976	3.2
71.08620	3.4
77.03944	1.9
79.05485	26.7
81.07053	93.4
83.04971	3.4
83.08611	27.1
85.06504	2.3
85.88602	1.8
89.20676	1.7
91.05471	16.7
93.07039	23.8
95.04947	4.1
95.08029	4.0
95.08602	69.8
96.08923	2.2
97.06526	4.6
97.10157	14.7
99.08043	2.2
105.07028	15.6
107.08556	11.7
109.06513	1.9
109.10140	25.8
111.08109	3.3
119.08577	9.7
121.10126	13.2
123.11698	9.8
125.09624	1.9
133.10118	9.0
135.11650	7.5
137.13213	3.2
145.10136	2.6
147.11630	4.7
149.13252	3.1
161.13193	5.1
163.14819	2.5
175.14790	3.7
200.50092	1.8
263.23752	4.4
318.54706	2.3
337.23520	9.6
337.27301	95.0
338.27612	9.9
338.34097	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	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.17629	0.9
50.61204	1.4
53.03930	3.3
55.01882	1.0
55.05506	44.0
57.03431	30.4
57.07066	6.9
65.03343	1.1
65.03937	3.6
67.05497	100.0
68.05814	1.3
68.32830	1.0
69.03435	1.0
69.07060	55.6
71.04991	2.2
71.08620	2.8
72.76100	1.0
79.05483	27.1
81.07049	94.3
81.29219	1.1
83.04955	2.7
83.08614	25.3
85.06538	2.9
85.10183	1.4
91.05466	15.6
93.07039	21.9
95.04958	2.9
95.08596	69.4
97.06514	5.9
97.10159	13.1
99.08113	1.5
101.52365	1.1
105.07016	10.2
107.08589	13.0
109.06473	1.8
109.10135	23.2
111.08082	2.4
111.11692	4.2
117.07088	1.1
119.08570	9.4
121.10142	11.5
123.11693	8.7
125.09675	1.8
133.10109	8.5
134.10483	1.0
135.11664	4.6
137.09583	1.3
137.13243	3.2
145.56598	1.0
147.11708	5.6
149.13252	3.7
151.14812	1.6
153.12706	1.6
161.13249	4.2
163.14799	3.3
165.12827	1.5
175.14796	2.9
189.16365	1.1
245.22609	1.5
245.35414	1.1
263.23694	3.8
284.28574	1.2
305.33014	1.1
337.27322	87.4
338.27698	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.01869	1.4
55.05506	34.5
57.03431	25.7
57.07072	8.9
65.03922	3.4
67.05497	81.4
68.05827	1.3
69.07060	51.0
69.22789	1.6
69.23194	3.1
71.04964	2.1
71.08623	3.8
79.05038	1.5
79.05485	23.5
81.07047	85.8
82.07359	0.8
83.04963	2.8
83.08611	23.4
85.06525	2.7
85.10197	1.9
89.06013	5.3
90.06341	1.3
91.05464	14.1
93.07036	21.5
95.04965	2.5
95.08596	66.6
96.08872	1.1
97.06522	5.1
97.10151	14.0
99.08056	1.9
104.99260	1.2
105.07014	12.6
107.08575	11.5
109.06538	1.1
109.10143	24.4
109.10886	1.3
111.08069	3.1
111.11706	2.9
119.08572	8.4
121.10139	9.5
123.08064	2.3
123.11688	9.9
125.09662	1.5
133.10127	7.3
135.11671	5.0
136.71075	1.0
137.13234	4.1
139.11212	1.6
147.11633	5.9
149.13258	3.5
151.09636	1.9
151.11046	0.8
151.14896	1.7
152.10001	1.1
153.12747	1.1
161.13240	3.8
163.14819	3.3
175.14825	3.6
177.16406	1.2
189.16354	1.0
195.04788	0.8
199.27626	0.9
201.59692	0.9
245.22647	2.9
263.23709	5.7
337.27316	100.0
338.27594	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	338.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
56.96553	1.9
57.07104	1.8
60.57523	1.5
67.05500	5.9
69.07060	9.0
79.05490	6.3
81.07057	10.5
83.04998	4.2
86.09699	100.0
91.05463	10.9
93.07018	11.8
95.04974	2.6
95.08630	2.5
98.97562	8.9
105.07021	11.1
107.08598	5.0
108.04459	3.1
109.06489	8.4
109.10170	2.6
111.08087	3.8
116.98631	5.4
119.08541	4.2
121.10143	2.1
123.08081	2.2
128.10719	3.1
131.08559	3.5
133.10126	15.3
134.99625	2.9
135.11748	3.0
142.14745	1.7
146.11740	29.7
147.11723	6.3
147.72644	1.4
151.07570	3.5
151.11160	31.4
154.04945	1.9
159.62819	1.4
163.09821	1.9
175.11169	3.8
193.12231	2.9
222.14876	2.3
260.20160	4.7
274.97430	9.4
278.21130	32.8
279.21494	2.1
283.16910	3.7
292.98618	5.1
306.20535	2.4
320.22284	3.0
338.23199	11.4
338.26736	4.8
362.58432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.9643
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	16.7
70.98132	3.6
71.41537	3.7
98.97578	100.0
99.87983	2.9
108.38413	2.9
116.98618	51.4
124.99034	3.0
128.98630	3.6
134.99634	15.0
146.99559	2.8
172.94319	7.0
172.99564	3.0
180.97839	15.0
190.95143	3.5
198.98869	19.8
214.95361	3.9
221.01765	5.1
232.96391	7.9
238.10921	2.8
256.96286	15.6
258.58820	3.0
274.97479	94.4
292.98511	47.1
338.96701	12.9
339.05649	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	339.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	2.6
56.97982	1.5
70.34369	2.8
96.84672	1.6
98.23336	1.7
98.97578	15.2
116.98613	10.6
134.99644	6.5
180.97870	2.1
198.98875	4.2
256.96713	1.8
263.45511	1.5
274.97482	18.1
292.98575	12.2
338.96881	2.5
339.10486	100.0
340.10776	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	339.071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
61.02917	0.4
63.02386	0.3
69.03435	1.7
71.05009	0.4
77.03937	0.4
79.05484	0.9
81.03429	1.1
85.02897	1.8
87.00790	0.3
89.03905	4.7
91.05468	0.5
95.01320	2.6
97.02890	1.2
98.97578	0.4
99.04476	0.4
101.03896	0.8
103.05450	1.2
107.04945	1.7
109.02874	1.0
110.07161	1.1
115.05452	0.4
117.03374	8.4
117.98095	0.3
119.04937	0.9
121.02848	1.3
123.04377	1.6
127.03930	1.1
129.03310	0.5
131.04893	1.7
131.06850	0.5
135.04402	19.8
136.04727	0.7
139.03870	0.4
141.01810	1.3
143.04878	0.6
145.02838	11.0
145.04909	0.6
146.03499	0.4
147.04401	23.1
148.04729	0.6
149.02342	3.6
149.05978	1.4
150.02959	0.4
155.04913	0.4
157.02766	0.4
159.04387	1.1
160.05167	0.4
161.05986	1.0
163.03889	100.0
164.04211	2.6
173.05997	0.7
175.03897	3.7
175.07408	0.3
177.01852	3.2
177.03929	1.8
177.05417	12.1
183.04504	0.4
185.06010	0.5
187.03848	2.4
189.01852	0.5
189.05405	1.3
191.03398	1.6
193.04996	0.5
199.03879	0.4
201.05443	0.5
203.03371	90.7
204.03703	3.0
205.04939	3.8
205.06615	0.6
213.05447	0.6
215.03387	5.0
217.04889	0.4
219.02863	0.6
220.61259	0.4
221.04410	0.8
229.04990	2.3
231.02881	12.7
231.04861	0.5
232.03073	0.4
233.04413	4.5
241.04913	0.6
247.05957	0.5
259.06064	0.9
261.03958	5.8
275.05518	0.6
279.04953	7.0
291.04959	4.4
292.05298	0.5
293.44894	0.3
303.04956	0.4
321.05884	0.9
321.09671	0.9
339.07050	5.5
339.11432	0.6
340.07565	0.6
353.90359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
61.02917	0.4
63.02386	0.3
69.03435	1.7
71.05009	0.4
77.03937	0.4
79.05484	0.9
81.03429	1.1
85.02897	1.8
87.00790	0.3
89.03905	4.7
91.05468	0.5
95.01320	2.6
97.02890	1.2
98.97578	0.4
99.04476	0.4
101.03896	0.8
103.05450	1.2
107.04945	1.7
109.02874	1.0
110.07161	1.1
115.05452	0.4
117.03374	8.4
117.98095	0.3
119.04937	0.9
121.02848	1.3
123.04377	1.6
127.03930	1.1
129.03310	0.5
131.04893	1.7
131.06850	0.5
135.04402	19.8
136.04727	0.7
139.03870	0.4
141.01810	1.3
143.04878	0.6
145.02838	11.0
145.04909	0.6
146.03499	0.4
147.04401	23.1
148.04729	0.6
149.02342	3.6
149.05978	1.4
150.02959	0.4
155.04913	0.4
157.02766	0.4
159.04387	1.1
160.05167	0.4
161.05986	1.0
163.03889	100.0
164.04211	2.6
173.05997	0.7
175.03897	3.7
175.07408	0.3
177.01852	3.2
177.03929	1.8
177.05417	12.1
183.04504	0.4
185.06010	0.5
187.03848	2.4
189.01852	0.5
189.05405	1.3
191.03398	1.6
193.04996	0.5
199.03879	0.4
201.05443	0.5
203.03371	90.7
204.03703	3.0
205.04939	3.8
205.06615	0.6
213.05447	0.6
215.03387	5.0
217.04889	0.4
219.02863	0.6
220.61259	0.4
221.04410	0.8
229.04990	2.3
231.02881	12.7
231.04861	0.5
232.03073	0.4
233.04413	4.5
241.04913	0.6
247.05957	0.5
259.06064	0.9
261.03958	5.8
275.05518	0.6
279.04953	7.0
291.04959	4.4
292.05298	0.5
293.44894	0.3
303.04956	0.4
321.05884	0.9
321.09671	0.9
339.07050	5.5
339.11432	0.6
340.07565	0.6
353.90359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04842	8.3
54.91481	9.3
56.96567	20.2
70.15958	11.4
70.16287	21.0
78.14398	9.8
81.03402	15.6
97.02879	8.6
98.22735	11.5
98.97572	89.9
116.98607	55.1
117.03348	25.4
119.04930	14.4
128.98653	11.9
134.99654	25.0
136.06117	22.8
138.42255	9.7
145.02824	66.2
147.04330	47.5
163.03854	33.4
177.05438	100.0
177.53352	8.9
180.97945	14.8
198.98918	20.8
203.03368	11.9
205.45682	8.4
216.06235	8.8
219.01744	10.6
219.72842	8.5
237.02765	16.1
274.97479	82.3
281.33160	10.3
292.98502	43.4
321.09659	12.0
339.08209	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	339.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	14.9
62.33753	3.4
81.03356	3.3
85.02894	7.9
97.24570	3.1
98.97572	58.5
105.01842	5.6
116.98612	47.0
134.99655	21.1
145.02834	5.9
147.04414	5.9
163.03969	3.5
172.94373	3.4
177.05411	11.2
180.97839	4.7
194.99730	3.6
198.98849	17.9
232.96368	3.8
237.02733	5.0
256.96512	8.3
274.97498	78.5
292.98505	42.5
311.05527	6.1
338.96921	6.4
339.04782	5.8
339.10568	100.0
339.16742	4.3
340.10422	5.5
349.27438	3.7
360.53110	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	339.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	0.6
61.16868	0.6
63.53209	0.5
69.44286	2.6
70.86741	0.5
83.25211	0.5
84.96020	0.6
98.23428	1.0
98.97587	4.1
116.98601	2.1
119.75417	0.5
134.99612	0.8
139.46356	0.6
147.04446	0.6
177.05313	1.1
185.04222	1.9
197.57480	0.5
198.70139	0.6
198.98837	1.2
235.64159	0.5
256.96509	0.7
274.97476	5.1
292.98581	3.2
296.23373	0.6
339.10455	100.0
339.39090	0.6
340.10730	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	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.36420	0.4
53.03936	2.2
55.01876	1.0
57.03440	1.2
61.02922	0.5
65.90741	0.3
69.03426	6.5
70.76613	0.5
71.05001	1.1
73.02934	0.9
81.03409	16.8
82.03742	0.5
85.02900	9.4
87.00795	1.8
89.03902	7.3
91.05475	0.4
94.84158	0.4
95.04987	0.4
97.02868	2.7
99.04453	3.5
103.05463	0.7
105.01838	2.8
106.04166	0.5
108.40755	0.4
109.02869	7.0
117.03370	24.2
118.03706	0.8
127.03900	5.6
134.03650	1.4
135.04436	1.2
145.02834	60.5
145.04845	1.5
146.03151	1.7
149.05968	7.7
149.21715	0.4
163.03893	1.1
177.05450	100.0
178.05832	3.2
186.05516	0.5
195.06479	4.3
231.04948	0.6
269.96854	0.4
279.08691	0.5
321.09641	16.4
322.09927	0.9
339.10696	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	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
54.35998	0.4
55.01885	0.6
57.03437	1.2
63.02385	0.5
67.05514	0.6
69.03423	7.5
69.34252	0.6
69.34640	1.1
71.05011	0.8
73.02911	0.7
76.45284	0.5
78.78557	0.4
81.03411	20.6
81.07063	1.1
82.03740	0.5
84.62475	0.4
85.02900	5.6
85.92856	0.4
89.03908	8.0
90.15287	0.4
91.05441	1.1
95.08607	0.8
97.02885	1.6
99.04454	1.8
106.04174	0.6
109.02878	7.6
117.03367	25.0
118.03709	0.8
124.05145	0.4
127.03912	1.9
134.03629	1.4
135.04414	1.6
137.05977	2.6
140.77063	0.4
145.02834	58.2
146.03210	1.7
149.05972	8.6
162.03014	0.6
163.03880	0.8
177.05455	100.0
178.05804	3.8
186.05475	0.9
195.06483	3.2
221.05901	0.4
250.06329	0.4
283.09454	0.5
295.05795	0.5
296.05865	0.6
321.09680	21.4
322.10101	0.6
339.04340	0.5
339.07935	1.8
339.11212	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01868	0.7
57.03435	1.2
69.03426	7.9
70.98973	0.4
71.04984	0.7
73.02924	0.7
81.03407	18.9
85.02895	5.0
89.03906	9.2
91.05479	3.7
93.07030	0.4
97.02880	1.3
99.04449	1.7
105.07047	0.4
106.04148	0.5
109.02873	6.8
117.03367	25.7
118.03722	0.8
127.03906	2.4
134.03586	2.0
135.04378	1.6
137.05934	0.9
145.02832	60.5
146.03137	1.9
149.05963	7.4
163.03862	1.0
177.05449	100.0
178.05800	3.4
179.06999	1.1
186.05479	0.4
195.06476	2.6
211.78448	0.3
233.05931	0.5
243.37300	0.3
248.60509	0.4
279.08679	1.0
293.08020	0.5
321.09647	21.2
322.09921	1.2
339.04770	0.5
339.07919	0.6
339.10934	1.1
352.15738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01867	0.7
57.03441	1.1
63.02378	0.7
69.03423	8.1
71.04986	1.2
73.02908	1.5
81.03410	23.7
84.46374	0.5
85.02897	7.4
86.09698	2.1
89.03908	9.8
91.05462	0.9
93.07014	0.7
97.02890	0.7
99.04448	2.1
106.04188	1.2
109.02867	9.5
109.03532	0.3
117.03366	30.7
118.03693	0.7
127.03922	1.6
134.03635	1.9
135.04390	1.6
137.05949	0.6
145.02832	64.1
145.10025	0.5
146.03166	1.9
149.05962	9.5
150.06287	0.6
163.03900	1.5
167.10704	1.0
177.05449	100.0
178.05795	2.2
186.05450	0.7
191.10683	0.6
195.06493	4.0
195.08153	0.6
213.31255	0.4
229.46710	0.5
279.08646	1.3
321.09653	24.8
322.09857	1.5
339.10703	1.9
340.66937	0.5
354.67245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.16287	0.3
53.03939	2.2
55.01865	0.9
56.96566	0.8
57.03432	0.9
61.02916	0.4
63.02369	0.6
67.05499	0.4
69.03423	6.1
69.07068	0.4
69.75842	0.6
71.04994	0.8
73.02917	0.7
76.25865	0.2
79.05489	0.5
80.15874	0.3
81.03410	18.3
81.07049	0.6
82.03763	0.3
85.02895	5.2
86.09688	0.3
89.03375	0.5
89.03912	8.6
91.05467	0.5
93.07040	0.7
93.33378	0.3
95.04951	0.5
95.08602	0.6
97.02895	1.1
98.97609	0.3
99.04457	2.0
101.02338	0.3
103.05466	0.6
104.50531	0.3
106.04165	0.6
107.04960	0.3
107.08608	0.5
109.02869	6.6
109.03639	0.4
109.10136	0.3
109.33824	0.3
117.03370	27.8
118.03724	0.8
119.08607	0.3
121.06532	0.5
121.10115	0.4
127.03905	2.0
133.10114	0.3
134.03621	1.9
135.04410	2.1
137.05966	0.8
145.02832	59.4
146.03227	1.4
149.05960	8.8
149.09578	0.3
162.03053	0.4
163.03888	1.3
166.16405	0.3
173.05070	0.3
177.05450	100.0
178.05801	3.0
179.08519	0.3
180.09302	0.3
186.05486	0.9
188.61938	0.3
190.07835	0.3
195.06499	3.1
205.06494	0.6
208.08809	0.5
209.09784	0.3
223.11192	0.7
225.07916	1.0
233.06075	0.5
235.11205	0.6
236.08305	0.4
243.08842	0.4
247.07603	0.4
251.10614	1.4
263.06934	0.3
274.97342	0.4
279.10303	0.9
307.09500	0.7
307.16443	0.3
310.43140	0.3
311.13022	0.4
321.09644	17.9
322.10031	1.1
339.12137	3.7
340.11548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.33665	0.3
53.03943	2.0
55.01875	0.3
57.03432	1.0
61.02912	0.4
62.47426	0.3
63.02368	0.3
69.03422	8.1
69.12953	1.4
71.04981	0.6
73.02910	0.7
78.04718	0.5
79.69688	0.2
81.03412	19.0
85.02901	5.6
85.58781	0.2
89.03908	8.2
91.05485	0.8
95.04990	0.3
97.02885	1.4
98.23447	0.4
99.04436	2.1
101.53880	0.3
103.05440	0.4
103.61414	0.2
106.04174	0.5
109.02276	0.3
109.02870	7.4
117.03371	27.0
118.03690	0.8
119.04977	0.3
127.03918	2.3
131.44542	0.3
134.03607	2.4
135.04387	1.3
136.06178	2.5
145.02834	60.3
146.03166	1.8
147.04375	1.1
149.05968	8.8
151.51112	0.3
156.41133	0.3
158.05977	0.3
162.03207	0.4
163.03893	1.0
177.05455	100.0
178.05806	3.5
186.05353	0.3
187.07442	0.3
195.06514	3.3
250.30719	0.3
265.04855	0.3
279.08426	0.7
307.09576	0.4
321.09659	18.7
322.10153	1.3
339.04901	0.6
339.11163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03953	2.5
57.03438	1.3
66.93386	0.4
69.03429	5.3
69.77431	0.8
69.77801	0.6
71.04996	1.1
73.02924	0.7
74.72195	0.4
81.03413	21.9
85.02901	7.1
89.03909	6.4
97.02895	1.0
99.04443	1.9
103.05440	0.4
106.04170	0.7
107.04793	0.4
109.02872	9.2
117.03371	18.0
118.03666	0.4
123.75359	0.3
127.03896	2.4
134.03622	1.1
135.04364	1.1
143.90240	0.4
145.02838	52.4
146.03175	1.0
149.05966	6.4
163.03841	1.0
177.05460	100.0
178.05788	3.0
195.06531	3.6
259.25677	0.4
279.08560	1.0
279.85086	0.4
321.09650	26.0
322.09937	1.6
339.10992	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1204
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
54.76853	0.5
61.39315	0.5
63.96114	0.5
70.40490	0.5
71.42719	0.6
81.03393	1.2
83.69839	0.6
84.08168	0.5
91.05512	0.6
95.77461	0.5
107.04954	0.8
109.10191	0.6
117.03371	0.7
123.08051	0.6
127.03887	0.9
145.02841	1.7
151.30934	0.6
161.06004	1.1
167.08533	0.5
173.20935	0.5
177.05492	3.7
178.07689	0.8
190.87502	0.6
192.09341	0.8
193.10104	0.9
219.07985	0.9
233.09460	0.8
235.07590	0.9
241.16588	0.6
246.06728	0.7
248.08452	0.6
249.09074	1.1
251.07033	1.0
251.10559	0.8
261.09155	1.3
263.10568	0.8
265.12842	0.6
277.12009	1.1
279.06586	0.9
279.10229	0.7
289.08499	1.0
298.41757	0.6
306.38367	0.6
307.09485	2.8
321.07376	1.0
321.10971	8.7
339.12024	100.0
340.12344	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	339.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
57.07057	0.6
67.05486	1.9
69.95591	1.1
79.05458	1.1
81.07027	1.4
89.21728	0.4
91.05486	0.9
93.07011	1.4
95.08572	1.7
98.23338	0.5
98.97552	1.1
105.07029	0.6
107.08558	0.5
109.10118	1.0
116.98581	0.6
119.08552	1.3
121.10136	1.9
123.11654	0.5
131.08458	0.4
133.10043	0.9
135.11676	0.8
147.11668	1.2
165.06967	0.6
169.06467	0.6
175.11127	0.7
178.07579	0.4
178.12543	0.4
179.08531	1.0
189.06956	2.4
190.07756	19.0
191.08249	0.7
202.07634	0.7
203.08508	1.5
204.09311	1.5
205.10104	27.9
206.10439	1.5
209.09570	1.3
215.08577	2.1
218.07280	4.8
219.07974	0.8
232.08707	0.5
233.09587	50.9
234.09906	3.1
246.06659	1.8
247.20486	1.3
251.10645	0.7
261.09079	100.0
262.09409	6.7
274.97446	1.4
279.10126	35.0
280.10547	2.2
283.16901	3.6
289.08548	1.0
292.98721	0.5
311.12698	1.5
321.10974	0.7
339.12134	2.4
339.22919	0.5
356.44202	0.4
356.64267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	7-Demethoxylegonol Acetate
Peak:m/z	Relative Intensity
55.60350	1.1
70.05713	3.9
76.60538	1.3
77.66047	1.1
77.66718	1.2
82.56222	1.2
87.68599	1.2
98.97589	4.4
116.98637	2.9
121.10140	1.6
132.85439	1.2
134.99643	2.2
152.93779	1.2
165.06982	2.0
169.06392	6.2
179.08524	1.9
180.97833	1.8
181.10081	1.5
189.07021	4.7
190.07759	26.7
191.08504	3.3
202.07784	2.1
203.08583	3.8
204.09238	1.5
205.10117	54.5
206.10629	4.1
209.09593	5.4
218.07207	10.1
219.07962	3.8
221.06161	1.6
223.11159	2.6
233.09592	100.0
234.09975	8.6
237.09146	2.4
246.06761	4.1
250.51750	1.3
251.10776	6.6
261.09088	95.4
262.09482	10.0
266.35727	1.4
274.97495	7.2
279.10132	75.5
280.10785	8.2
281.08942	1.3
281.11768	5.3
283.16965	4.9
289.08432	1.3
292.98569	4.1
293.11746	2.3
307.09885	1.4
309.11270	9.2
321.11102	1.8
338.26697	4.2
339.12234	46.3
339.15720	4.8
339.26978	5.7
340.12549	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	339.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
54.19435	0.5
55.01864	2.2
55.05499	2.6
57.03442	2.3
61.02924	1.1
62.72395	0.5
63.02389	0.6
65.03915	0.6
67.05503	8.6
68.22636	0.5
69.03426	21.0
69.07061	1.0
70.21037	0.4
71.01353	0.6
71.04974	1.2
73.02920	0.7
79.05490	4.4
81.03409	16.7
81.07048	3.6
83.04976	2.1
83.08613	0.6
85.02898	6.7
85.06572	0.6
87.00822	1.3
89.03909	10.1
91.05471	5.1
92.45338	0.4
93.07037	3.6
95.04953	2.5
95.08609	2.1
97.02878	2.6
97.06537	0.7
99.04456	2.1
103.05476	1.2
105.07028	4.5
106.04202	0.7
107.04972	2.4
107.08586	2.8
109.02885	5.5
109.06505	1.2
109.10128	3.1
111.04439	1.2
111.08064	3.7
115.05444	0.7
117.03367	25.9
117.07015	1.0
117.57256	0.5
118.03716	0.6
119.04896	0.6
119.08563	2.0
121.06519	1.5
121.10110	2.1
123.11700	0.6
127.03873	2.5
128.06177	0.8
129.06979	1.8
131.08569	2.1
133.06476	1.4
133.10124	1.5
134.03604	2.0
135.04395	2.0
135.08023	0.8
137.05971	1.7
137.09616	2.4
143.08540	1.3
145.02834	62.2
145.10106	1.5
146.03189	2.6
147.04475	0.5
147.08035	1.6
147.11652	0.8
149.05963	7.4
149.09601	3.2
157.06421	0.7
157.10161	0.7
159.08064	1.3
161.05969	0.6
161.09595	0.9
163.03896	1.2
163.11107	1.5
171.11729	0.7
173.09601	0.8
175.07513	1.0
175.11183	1.2
177.05450	100.0
178.05774	3.5
179.06961	1.2
179.10550	0.5
183.93755	0.5
186.05469	1.0
187.11188	0.6
189.12750	1.1
191.10640	0.9
195.06526	2.6
199.11147	1.3
205.06416	0.9
217.12234	3.4
233.05910	0.7
235.13219	2.8
250.06204	1.0
253.04784	0.5
253.14316	0.5
293.07962	0.5
321.09561	12.8
321.13245	2.7
329.10019	0.6
339.08499	1.7
339.10632	2.0
339.14407	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1906
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
55.05495	2.9
56.05833	0.9
57.03423	1.3
57.07070	0.8
64.89870	0.7
67.05492	2.9
69.07053	2.6
79.05499	1.3
81.07048	3.0
83.08625	1.1
93.07001	0.9
95.08601	2.7
96.08932	1.0
97.10152	0.9
98.97571	1.2
111.11722	0.8
116.98569	0.7
121.10114	1.1
149.02365	1.1
149.05165	0.6
187.27837	0.8
190.07779	2.2
193.04918	1.6
205.10068	2.3
218.07159	1.4
224.65608	1.0
233.09552	5.9
261.09055	11.0
274.97495	1.5
279.10120	2.7
339.19043	100.0
340.19345	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	339.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83345	0.5
70.81832	0.8
72.08141	2.8
72.62085	0.5
84.08134	11.0
85.02882	1.3
89.03901	2.3
101.10768	4.9
104.57606	0.5
110.07182	0.8
110.09677	0.6
117.02564	0.9
117.03370	14.5
118.08170	0.5
125.12681	0.4
127.08630	1.4
127.12320	0.8
128.10701	0.7
134.03624	1.0
135.04434	0.9
141.45642	0.5
145.02835	53.2
145.13390	1.1
146.03191	1.4
147.04393	2.0
149.05983	5.2
163.30449	0.4
164.25079	0.5
177.05455	100.0
178.05823	3.1
186.05582	0.6
233.09697	0.5
234.04768	0.5
248.12868	1.9
265.15555	0.6
274.97549	0.7
277.15454	50.7
278.15787	2.7
303.17053	3.1
317.02432	0.5
321.18066	14.3
321.26324	0.5
322.18338	0.9
339.13983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1929
Annotation	1-dodecylglycerone 3-phosphate
Peak:m/z	Relative Intensity
57.07056	0.7
62.32579	0.5
69.66286	1.6
73.37234	0.4
81.07066	0.7
85.19215	0.5
90.70689	0.5
92.44831	0.5
98.97575	1.6
103.61802	0.4
106.18832	0.4
116.52734	0.4
116.98630	0.9
134.99654	0.5
140.30978	0.5
149.02339	0.6
189.38277	0.4
190.07791	4.2
193.04964	0.8
205.10114	6.4
206.10341	0.6
218.07291	1.0
233.09604	10.5
234.10049	0.4
261.09091	22.1
262.09540	2.0
274.70639	0.5
274.97739	0.7
279.10141	7.8
298.16794	0.7
339.19278	100.0
339.77853	0.8
340.19580	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	340.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
61.01149	8.3
69.03427	5.9
69.42963	0.7
71.01346	0.3
74.29147	0.3
81.03377	0.5
87.02689	0.5
89.04266	0.5
94.04047	0.6
94.19030	0.2
95.04961	0.3
97.02887	3.8
100.11193	0.2
103.05452	0.8
115.02127	0.3
117.03669	0.7
119.03575	1.1
127.02163	0.3
131.04941	1.3
136.06177	100.0
137.02357	2.4
137.03424	0.4
137.04590	0.7
137.05806	0.8
137.06548	1.5
139.03786	0.3
145.03171	3.9
146.03233	0.6
147.04382	0.3
151.92667	0.2
159.04425	0.6
165.06992	0.8
176.06168	0.3
177.05460	0.8
177.06985	0.7
178.05786	0.9
187.03911	1.3
187.07564	0.5
193.06477	0.6
203.03313	0.5
205.05037	0.7
205.06767	2.4
217.08504	0.5
219.07982	0.3
221.05934	2.5
223.07527	3.9
225.05374	0.4
233.05945	3.0
239.07072	0.6
249.05463	4.9
250.06276	0.3
251.07030	3.4
253.04944	1.7
261.05432	1.1
266.08194	0.2
267.06537	1.6
277.04941	2.1
279.06543	4.0
281.04446	0.5
291.10068	0.3
295.06021	4.4
297.07639	0.7
322.10001	0.3
323.05411	1.8
323.12842	0.3
340.10925	1.2
341.06641	2.8
341.13748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
58.37502	0.3
61.01149	17.8
65.03922	0.3
67.32775	0.3
69.03432	0.4
71.42470	0.3
75.02702	3.0
81.03448	0.5
85.02837	0.4
88.17651	0.3
94.04059	0.4
97.02894	4.6
103.02129	0.5
103.05449	0.5
117.03757	0.6
117.42531	0.3
118.03707	0.6
119.03566	1.1
127.02129	2.9
131.04892	1.3
136.06180	100.0
137.02348	3.7
137.04547	0.5
137.05893	1.4
137.06612	1.0
140.88284	0.3
145.03181	20.5
146.03258	1.1
147.04437	0.3
155.47829	0.4
159.04358	0.5
165.07010	1.1
177.05478	1.4
177.06979	0.8
178.05844	1.5
185.54820	0.4
187.03941	1.9
187.07556	0.8
193.06493	0.6
195.08189	0.4
203.03368	0.6
205.05249	2.0
205.06610	1.6
221.05939	2.7
223.07510	2.8
233.05995	2.0
239.06943	0.8
249.05478	6.6
251.06972	2.5
253.04947	1.2
261.05359	0.9
267.06442	1.0
277.04913	2.6
278.15845	0.4
279.06485	2.8
291.10147	0.5
295.05988	3.8
297.07574	0.5
322.09784	0.5
323.12552	0.5
331.13739	0.3
340.10376	0.4
341.06406	2.0
341.13483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	5.7
55.95946	3.3
57.03428	6.5
57.07082	3.6
60.34656	3.3
61.02898	8.7
69.03420	35.9
69.66479	7.8
69.66866	5.6
73.02920	4.3
81.03407	21.6
85.02409	6.1
85.02898	92.9
87.00343	4.6
87.00817	50.3
90.41751	3.2
96.58794	3.1
97.02879	45.9
99.04429	13.5
101.84518	3.5
105.01849	100.0
106.64298	3.7
109.02883	20.9
120.53206	3.4
127.03022	6.4
127.03896	72.8
131.04904	4.4
135.04367	4.4
136.06171	93.7
137.02293	13.6
145.04927	34.4
159.02890	6.2
159.04308	5.6
161.63113	3.5
163.04008	4.9
164.04211	5.7
166.50906	3.8
178.05887	3.7
179.03308	4.2
187.03867	7.6
193.06442	3.7
205.06427	8.4
221.05977	10.4
222.27275	3.7
223.07500	12.0
231.04919	17.8
233.05910	10.3
249.05595	41.5
251.06989	10.8
267.06677	4.9
277.04990	8.8
279.06393	13.5
295.05936	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02382	1.6
53.03942	5.4
54.07899	1.8
55.01863	4.6
57.03425	6.2
61.02908	8.3
69.03429	33.4
69.65092	6.7
71.04977	3.6
73.02910	5.9
81.03416	18.1
82.25494	1.6
85.02899	100.0
87.00824	53.1
87.01276	1.3
97.02894	29.9
98.23380	4.0
99.04436	9.9
105.01862	93.0
108.04444	2.8
109.02872	29.9
127.03909	66.9
145.04945	33.9
159.02895	9.1
189.03970	2.9
221.05983	4.6
221.31277	1.7
231.04965	21.3
249.05904	9.2
267.06625	2.8
279.06598	3.4
295.05939	4.3
341.06543	10.8
344.10706	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42387	2.0
53.03938	6.0
55.01868	6.5
56.96559	1.9
57.03431	4.5
61.02924	6.0
69.03427	38.8
71.04991	5.2
73.02905	6.9
81.03414	25.9
82.03730	3.0
85.02900	100.0
86.03281	2.8
87.00825	48.0
87.01328	4.1
89.03918	2.2
90.04219	2.2
97.02889	31.7
99.04461	13.9
105.01862	83.3
108.04462	2.2
109.02869	28.0
117.01888	2.7
117.03382	8.0
118.03735	6.7
127.03903	85.1
129.01836	4.5
145.02855	17.4
145.04930	42.1
146.03168	16.2
159.02863	17.3
177.05440	28.9
178.01224	2.1
178.05807	37.2
189.03926	3.4
204.40237	2.2
213.03932	4.1
231.05023	22.3
249.05972	6.2
322.10059	7.7
340.11218	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79239	0.9
56.96565	10.3
58.17343	0.7
59.04128	0.8
63.12257	0.8
69.27489	3.2
71.95310	0.7
73.04745	1.4
77.55833	0.8
90.89379	0.7
91.05797	1.4
94.87355	0.7
98.23451	1.8
98.97577	78.6
111.14278	0.8
114.95554	0.9
116.98612	32.3
122.91702	0.7
128.98537	0.8
132.96606	1.6
134.99638	9.1
137.05956	1.2
153.00801	1.0
156.96585	3.6
158.06639	1.3
174.97655	17.8
190.95586	1.9
192.98682	11.6
198.97459	4.1
208.96722	2.4
212.07640	1.6
214.95657	9.4
215.95747	1.4
216.98683	41.9
217.98935	2.3
219.02008	1.2
230.08701	1.4
232.96678	16.4
233.96547	0.8
234.99736	60.2
235.99939	3.1
238.95573	1.8
240.98781	1.1
250.97736	10.0
251.12422	2.5
251.98061	1.1
253.00807	1.2
256.96664	21.2
257.96780	2.6
258.99719	10.6
259.99893	0.9
263.12399	1.2
269.13553	1.3
274.97720	37.5
275.97897	4.3
276.97983	1.2
277.00821	12.3
278.01089	1.0
280.96710	1.7
281.13425	4.6
286.58087	0.8
292.98911	6.1
293.98672	1.0
298.97729	71.3
299.97845	6.1
316.98782	100.0
317.98914	11.3
334.99854	3.3
340.00403	1.2
340.98779	21.0
341.05380	1.0
341.99023	1.8
358.99792	37.0
359.99973	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	340.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16114	7.7
63.32902	8.1
66.78979	9.1
69.33895	41.9
91.05794	12.8
97.02911	12.4
98.22730	23.1
98.97584	71.1
99.04456	20.0
116.98629	38.0
134.99664	14.4
174.97620	20.8
192.98769	15.3
200.48026	8.6
216.98744	38.2
219.02023	18.2
232.96664	11.8
234.99681	45.2
254.96866	11.2
258.99670	15.1
274.97809	41.6
277.00812	15.6
284.99683	11.4
298.87860	28.8
298.97897	55.8
303.00974	21.6
309.01163	10.0
316.98767	100.0
327.02100	18.1
337.84836	10.1
340.98837	14.7
358.99939	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	341.0653
Annotation	Salvianolic acid G
Peak:m/z	Relative Intensity
50.90612	0.7
53.03939	1.4
55.01863	3.2
59.64619	1.0
68.11554	0.9
69.56950	2.4
69.57349	1.3
81.03400	6.3
89.03901	1.1
91.05447	1.1
91.36639	0.9
95.04961	1.6
103.05452	9.6
105.36393	0.9
109.02870	3.8
111.04433	1.4
112.85485	0.9
115.05424	1.1
117.03334	1.1
123.04411	1.1
127.03944	3.1
131.04919	16.4
133.02852	1.5
137.02335	72.1
137.03447	5.5
137.05916	4.9
138.02681	1.3
145.02826	1.5
147.04399	2.8
152.06178	2.2
159.04395	10.9
160.05089	1.0
163.03922	3.2
165.06987	15.4
167.08643	1.3
169.06485	1.2
175.03906	1.3
176.06194	6.2
177.05463	4.7
177.06993	12.6
178.05891	1.9
178.07509	1.0
181.06503	2.9
185.02296	2.3
187.03874	26.3
187.07483	1.5
189.08978	1.2
193.06458	9.1
194.07144	1.3
195.08087	4.3
197.05963	3.6
203.03352	3.2
205.06462	31.8
206.06934	1.8
207.04407	1.4
211.07530	4.6
213.01744	5.3
217.08478	1.4
221.05948	39.4
221.14426	1.0
222.06531	2.7
223.07512	38.0
224.07956	1.7
225.05389	5.7
231.02888	2.9
233.03616	1.6
233.05952	29.3
234.06436	2.7
237.05437	1.0
239.06995	6.9
239.96976	0.8
249.05441	100.0
250.05821	7.1
251.06995	35.9
252.07475	1.4
253.04910	19.0
255.06569	2.5
261.05435	11.0
266.05609	1.1
267.06479	18.8
269.08154	2.6
270.58371	0.9
277.04935	31.7
277.07880	2.0
278.05460	3.9
279.06488	49.8
279.09604	2.5
280.06808	4.0
281.04498	1.5
282.89319	1.0
295.05981	55.2
296.06448	2.5
297.07571	6.3
305.04221	1.3
313.06998	1.7
323.05435	6.5
323.12973	1.9
340.26410	1.3
341.06497	23.1
341.10446	1.3
341.13428	1.1
364.11490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0652
Annotation	Salvianolic acid G
Peak:m/z	Relative Intensity
53.99229	1.0
55.01847	1.5
62.69337	1.1
68.81607	0.9
70.55733	1.7
81.03412	2.4
97.48442	1.0
103.05422	3.1
106.00183	0.9
109.02888	1.3
111.04439	1.4
115.05445	3.3
131.04909	9.0
136.06195	1.4
137.02333	36.4
137.03365	1.6
137.05946	3.4
142.01367	0.9
143.04916	4.0
147.04407	3.7
152.06133	1.1
159.04416	4.4
160.04959	1.1
162.70726	1.0
163.03973	1.0
165.06953	7.7
175.04008	1.9
176.06175	2.1
177.05571	1.8
177.06985	5.3
179.03442	1.8
181.06538	1.8
187.03867	10.8
193.06511	4.7
195.07974	2.4
197.05948	2.5
203.03331	1.9
205.06454	22.8
205.58414	1.0
206.06949	1.1
211.07535	1.9
213.01820	3.9
217.08752	1.0
221.05937	33.8
222.06326	2.0
223.07515	26.2
225.05501	4.2
231.02832	7.9
233.05966	19.3
234.06448	1.3
239.06958	5.4
249.05443	100.0
250.06000	6.6
251.07002	21.1
253.04974	9.2
255.06554	1.2
261.05496	5.8
267.06506	22.3
269.08148	1.2
277.04932	48.0
278.05460	3.7
279.06506	28.7
280.06824	2.5
281.04443	9.4
295.05981	63.0
296.06396	3.3
297.07620	5.8
298.49185	1.1
313.06906	1.6
323.05499	17.6
324.05591	1.3
341.06528	84.5
342.06882	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0654
Annotation	Salvianolic acid G
Peak:m/z	Relative Intensity
70.49992	3.2
70.50340	3.9
81.03402	2.3
103.05459	11.0
109.02891	2.5
111.04457	2.8
115.05459	2.2
116.45955	1.7
120.40694	1.7
120.91241	2.2
123.04417	3.6
130.06490	5.9
131.04938	21.5
135.04391	3.0
137.02338	47.0
137.03377	2.0
137.05949	3.9
147.04405	4.7
152.06256	2.2
159.04398	12.2
163.03925	8.5
165.06970	12.5
167.08585	3.3
168.77571	2.3
172.84186	1.8
176.06245	6.2
177.05420	5.6
177.06967	13.2
179.03450	2.7
181.06467	3.0
185.02162	2.3
185.26474	1.9
187.03882	30.5
193.06482	7.2
195.07884	4.9
197.05972	4.9
203.03362	6.2
205.06461	43.9
205.08237	3.8
206.07004	2.2
209.05981	2.3
211.07562	3.8
213.01790	3.3
221.05945	39.8
222.06514	3.1
223.07521	74.0
224.07860	2.5
225.05347	10.7
231.02827	4.6
233.05933	53.7
233.08162	3.3
234.06494	5.5
239.06938	6.6
249.02849	4.1
249.05450	80.6
250.06107	8.1
251.07016	69.2
252.07439	4.8
253.04933	31.1
254.05505	2.0
255.06526	5.4
261.05453	22.8
262.05786	2.7
267.06512	17.6
277.04932	35.5
278.05630	4.4
279.06497	100.0
280.06732	6.2
281.04453	6.5
294.05042	2.2
295.05991	84.4
296.06320	3.7
297.07596	11.8
313.07147	2.3
323.05411	19.0
324.06024	2.4
341.06500	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	341.0655
Annotation	Salvianolic acid G
Peak:m/z	Relative Intensity
50.81842	0.7
55.01855	2.9
65.03917	1.9
70.73927	1.1
71.04974	2.2
75.16666	0.7
79.05466	2.2
81.03416	2.3
81.07046	1.1
89.03922	0.9
91.05444	4.0
94.04177	4.1
95.04960	1.9
103.05463	4.5
105.03344	0.9
105.89648	0.8
107.04943	2.9
109.02873	1.6
109.06506	2.4
111.04444	2.2
115.05438	11.1
117.07001	0.9
119.04909	2.6
122.03635	11.5
123.04415	2.4
125.05965	1.1
128.06238	4.3
129.07001	13.1
130.04144	1.8
131.04918	7.7
131.08565	2.2
133.02849	5.1
137.02339	30.3
137.03336	1.8
137.05963	100.0
138.06287	1.8
139.05298	0.8
141.06955	1.7
143.04903	7.1
143.08533	1.6
144.05711	5.8
145.06454	2.7
146.07260	1.3
147.04413	4.1
149.05962	2.8
151.03897	2.3
151.07484	5.3
152.06145	1.7
153.07024	1.7
155.04935	1.3
156.05626	1.2
157.06483	6.4
158.07263	2.3
159.04408	6.3
159.08040	1.0
160.05174	2.9
161.05965	1.4
163.03957	1.7
163.05487	0.7
163.07538	1.4
165.05457	3.2
165.06993	11.6
166.07288	0.8
167.03308	0.9
167.04977	1.1
167.08609	1.6
168.05704	1.5
169.06432	2.1
171.08005	2.2
172.05144	7.1
173.05988	1.3
174.03120	1.1
174.06750	18.3
174.08270	1.4
175.03899	4.0
175.07535	12.9
176.06216	2.7
177.05452	4.6
177.06989	6.1
177.09122	1.6
178.07762	2.5
179.03351	1.1
179.07030	1.5
181.06459	3.0
184.05237	1.4
185.05940	1.1
187.03917	11.9
187.07518	49.8
188.08170	2.0
189.07259	1.2
189.09084	20.4
190.07765	1.6
191.03328	1.3
191.07021	1.1
191.08568	4.1
192.05820	0.9
193.06467	9.8
195.08070	3.2
196.05183	3.3
197.05942	6.1
199.07539	7.3
202.07765	5.1
203.03372	4.6
203.05014	0.9
203.08527	14.3
205.06477	22.2
205.08434	2.1
206.07103	1.8
207.08014	1.9
208.08788	2.8
210.06767	1.6
211.07491	14.3
212.08211	0.9
213.01860	5.5
213.05502	3.3
215.08803	0.9
217.06699	0.8
217.08566	26.0
218.07307	1.9
219.08020	11.2
220.08784	7.7
221.05959	36.9
222.06528	3.3
223.07492	16.9
224.07990	1.3
225.05469	8.4
225.09084	1.8
227.06952	2.1
228.07797	1.7
230.07222	1.0
231.02827	12.7
231.08005	15.1
232.08731	3.5
233.05930	14.6
233.09581	2.1
234.06683	2.8
235.07518	2.1
236.04527	0.9
236.08350	4.4
237.05408	1.4
237.09070	4.0
238.06219	2.1
239.07016	15.4
240.07793	7.1
240.71686	0.8
241.04919	1.4
247.07542	10.8
248.08325	18.4
249.05449	89.0
249.09299	3.3
250.06091	9.2
251.07011	16.7
251.10640	8.5
252.04156	2.7
253.04950	9.6
253.08539	5.3
255.06528	7.9
256.07309	4.0
259.07529	5.1
260.08319	3.1
261.05609	4.3
261.08945	4.4
262.06104	1.3
263.07104	2.0
263.10632	15.7
264.07761	4.0
264.10852	1.3
265.08481	8.0
266.05716	2.3
266.09171	0.9
267.06509	27.3
268.07129	2.8
269.07883	1.9
270.08795	1.8
271.06433	1.3
271.09619	22.8
276.07733	6.6
277.04962	42.8
277.08401	5.1
278.05582	4.3
278.08896	0.8
279.06534	18.7
279.10162	14.0
280.07034	1.2
280.10788	3.4
281.04465	33.0
281.07968	5.2
282.04904	2.4
283.09650	3.2
291.10147	33.2
292.10773	3.7
293.08060	8.3
293.11267	1.6
295.05988	61.2
296.06412	3.3
296.10422	11.5
297.07556	7.4
297.11108	3.0
299.05539	1.8
305.04599	4.2
305.07599	0.9
305.11798	1.0
307.09637	1.0
308.10446	4.9
311.12692	19.1
313.07043	2.6
313.14264	1.7
323.05499	55.6
323.08984	4.1
323.12671	32.2
324.05768	2.6
324.13074	1.2
341.06537	72.0
341.13162	9.9
342.07031	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	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.5
55.05509	2.0
65.03938	1.5
69.03421	1.4
69.77518	3.5
79.05484	3.5
81.03409	3.8
81.07050	2.1
84.04511	1.5
89.03912	5.8
91.05478	5.4
93.03381	1.4
93.07040	1.3
94.04185	3.2
95.04976	2.4
97.09203	1.1
99.20527	1.1
100.11238	2.2
103.05489	6.7
105.04583	1.1
105.07012	2.3
107.04936	5.8
109.06487	3.0
111.04432	4.4
115.05428	8.2
117.03406	1.5
119.04922	2.4
122.03645	8.2
123.04390	3.6
127.03919	1.6
128.06206	5.2
129.06990	16.9
130.04169	1.8
131.04924	14.0
131.08502	1.6
133.02881	3.0
135.04387	5.2
137.02339	34.7
137.03343	2.1
137.05965	94.5
138.06293	2.2
139.03946	1.7
139.05444	1.4
141.06961	1.6
142.12263	1.9
143.04898	7.4
144.05687	5.9
145.02841	3.6
145.06494	2.5
147.04369	7.0
149.05972	2.9
151.03915	3.3
151.07474	6.4
152.06174	2.5
153.05452	2.1
153.06995	1.9
155.04897	1.9
156.05618	2.1
157.06487	7.6
159.04387	7.7
159.08084	1.6
160.05186	2.0
161.05980	4.5
163.03897	14.0
163.07495	2.2
165.05586	2.1
165.06960	13.5
167.07050	5.2
167.08421	2.5
169.06456	2.6
170.11821	3.0
171.08014	2.1
172.05145	9.3
174.06734	13.7
175.03925	5.1
175.07550	10.1
176.06206	3.1
177.05438	4.5
177.06976	8.9
177.09050	1.2
178.07634	2.4
181.06523	3.4
185.02339	1.6
185.05951	2.0
187.03928	13.8
187.07526	59.0
188.08162	5.1
189.07246	2.9
189.09059	22.1
191.07083	1.9
191.08540	7.8
193.06433	10.3
195.08049	4.8
197.05943	6.4
199.07553	8.8
202.07793	6.3
203.03426	8.3
203.05005	1.6
203.08557	12.5
205.06487	23.4
205.08397	1.2
206.07256	3.9
207.08032	3.5
208.08827	3.4
210.06685	1.4
211.07544	9.6
213.01811	5.5
213.05521	1.6
217.06410	1.7
217.08571	36.7
218.07251	2.7
218.09140	1.6
219.08011	12.9
220.08781	5.5
221.05951	42.6
221.09535	3.4
222.06635	4.2
223.07532	26.0
225.05594	7.2
227.06955	2.0
231.02881	12.6
231.08041	13.0
232.08827	4.0
233.05957	20.9
233.09570	2.5
234.06677	4.7
235.07561	4.8
236.08337	4.8
237.09143	3.2
239.06964	18.9
240.07745	4.7
247.07515	10.8
248.08330	12.1
249.05444	100.0
249.08984	5.1
250.06061	10.8
251.07037	26.7
251.10619	8.3
252.04172	4.8
252.07372	1.5
253.04909	12.0
253.08626	3.9
255.06531	10.1
256.07294	2.5
259.07553	4.3
260.08395	2.6
261.05350	6.6
261.09058	6.4
262.06201	1.5
263.06961	2.5
263.10681	14.4
264.07791	3.7
265.08484	6.1
266.05685	3.1
266.08725	1.3
267.06494	34.2
268.06992	3.5
271.09589	10.0
276.07825	8.3
277.04971	47.5
277.08371	5.9
278.05713	6.5
278.08884	1.6
279.04062	0.8
279.06534	33.5
279.10159	17.0
280.10822	3.5
281.04456	38.5
281.07919	3.6
281.11658	5.6
282.05038	3.3
283.09610	3.1
291.10120	33.8
292.10721	5.0
293.08228	7.6
293.11292	2.1
295.06000	74.6
295.09235	2.9
296.06421	4.6
296.10376	12.1
297.07556	12.6
297.10794	2.0
299.05573	2.7
305.04428	7.3
308.10403	4.8
309.11188	7.2
311.12762	20.5
313.07007	2.6
313.14233	1.5
323.05472	73.2
323.12714	36.2
324.05820	7.2
341.06546	83.7
341.13391	14.8
342.06931	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Obovaten
Peak:m/z	Relative Intensity
51.02371	1.9
55.01868	1.8
55.05509	4.0
55.41055	1.4
68.71613	1.3
69.03437	2.4
69.07049	2.1
69.17057	6.4
69.17466	2.9
78.85065	1.5
79.05479	2.0
81.07044	2.5
83.08621	2.7
85.69748	1.8
89.65192	1.5
91.05454	3.0
91.79136	1.5
94.04195	4.2
95.04982	2.7
95.08620	1.7
99.04472	2.4
100.11252	11.6
101.11616	1.6
103.05451	2.8
105.03411	2.4
105.07030	2.9
107.04956	3.6
109.06518	2.7
111.04446	4.1
115.05424	3.2
117.06982	1.4
119.04971	2.8
122.03661	6.9
128.06223	3.1
129.07034	7.7
131.04932	5.1
131.97685	1.4
133.02849	21.5
137.02374	7.8
137.05965	100.0
138.06308	2.2
143.04884	3.3
144.05658	3.9
145.06503	2.2
147.04431	2.8
149.05972	3.5
151.03911	2.1
151.07527	5.4
157.06500	5.4
159.04465	2.8
159.08064	2.2
160.05202	4.4
161.06032	6.3
162.03030	1.5
163.03867	1.9
163.07504	3.1
163.20207	1.4
165.05464	8.5
165.06996	5.7
172.05205	3.3
174.06729	9.8
175.07527	16.1
176.06319	1.6
176.08244	2.4
177.05461	3.5
177.06889	1.7
177.09074	3.1
178.07758	1.8
179.07056	3.9
182.15398	3.6
187.03941	4.2
187.07518	37.2
188.08340	2.3
189.09087	19.2
191.06989	2.8
191.08536	3.7
193.06445	3.3
195.08000	2.1
196.05176	2.5
197.05991	2.5
199.07523	3.6
202.07814	3.9
203.03439	2.5
203.08563	8.2
205.06544	9.3
206.07092	1.7
209.77344	1.4
210.14946	4.4
211.07486	10.3
213.17793	2.0
217.08592	19.4
218.07207	2.7
219.08017	10.2
220.08896	5.3
221.05954	12.2
221.09573	3.3
222.06644	1.6
223.07530	8.4
225.05392	2.0
227.06949	2.0
227.17659	2.5
231.02838	2.4
231.07996	12.0
232.08780	2.5
233.05943	10.0
234.06497	2.7
235.07542	3.2
236.08235	3.7
237.09189	1.9
239.07016	10.8
240.07832	5.5
247.07541	9.1
248.08269	13.7
249.05498	22.1
249.09042	4.6
250.06015	4.4
251.07002	8.9
251.10727	5.4
252.07443	1.5
253.04916	3.4
253.08562	3.5
255.06491	4.6
256.07172	3.7
259.07556	5.3
260.04898	1.6
260.08215	2.7
261.05435	2.3
261.09052	3.5
263.07166	2.2
263.10696	15.2
264.07791	2.7
265.08551	5.5
267.06558	7.9
270.08768	3.5
271.09616	22.0
276.07788	9.2
276.72742	3.2
277.04974	10.7
277.08493	3.4
277.22916	2.5
278.05768	2.3
279.06558	13.3
279.10147	15.6
281.04437	4.9
281.07880	2.2
283.09637	5.4
291.10138	39.4
292.10779	4.1
293.08121	4.6
294.12424	8.4
295.05969	22.7
295.09525	4.4
296.06305	2.5
296.10336	5.9
297.07458	2.0
308.10400	3.2
309.11206	2.8
310.11899	3.6
311.12692	14.8
313.07150	2.9
313.14322	2.4
323.05539	14.3
323.08929	2.7
323.12802	32.1
325.14368	3.6
341.06665	17.4
341.13779	20.5
341.19345	30.4
343.30557	3.2
344.30499	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Salvixalapoxide
Peak:m/z	Relative Intensity
50.40590	0.3
52.17941	0.3
59.28068	0.3
63.27750	0.3
69.16837	2.0
73.01456	0.3
79.56060	0.3
86.24272	0.3
94.81160	0.3
98.22744	0.6
129.06837	0.4
155.08492	0.6
165.07019	1.0
167.08600	0.4
169.06416	2.1
171.08060	1.0
178.07742	1.6
179.08531	2.5
181.06403	0.3
190.07767	0.4
191.08527	2.1
192.09311	20.7
193.10086	3.9
202.07745	5.8
203.08441	1.2
204.09261	0.7
205.06500	0.8
205.10043	0.5
206.07187	0.7
207.08128	3.6
207.11671	13.1
208.08736	0.4
208.11948	0.7
211.07416	0.4
211.11137	1.4
216.09238	0.7
217.10110	7.6
218.07330	0.5
219.08000	1.8
219.11571	0.7
220.08812	14.3
221.06107	0.5
221.09566	5.1
222.06728	0.6
225.09171	0.5
233.09615	0.4
234.10353	0.5
235.11147	100.0
236.11484	5.9
237.12761	0.5
238.09932	0.5
239.07076	0.3
245.09639	0.7
248.08324	2.5
249.09064	1.4
253.08543	1.4
253.12271	0.7
254.09372	0.4
263.10641	59.1
264.11111	3.4
266.09427	0.9
267.10275	1.4
281.11697	45.5
282.12180	4.2
291.10138	0.8
295.13297	2.3
309.11188	1.2
313.11115	0.3
313.13992	1.6
323.12823	0.8
340.28198	11.5
341.13803	57.7
341.28400	4.8
342.14157	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	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.05507	20.9
57.07080	1.1
60.25777	0.9
65.03951	2.1
67.05510	1.3
69.03414	1.3
69.07066	1.7
69.34267	4.3
71.04988	2.6
79.05478	1.9
81.03403	1.3
81.07053	3.0
82.06586	5.8
83.04969	3.2
83.08615	11.9
84.08134	1.5
84.08945	1.4
85.06545	1.7
89.03952	1.3
91.05428	4.6
91.58107	1.1
94.04159	5.1
95.04969	1.9
96.08160	1.7
98.09666	1.2
100.07617	3.8
100.09451	1.9
100.11245	60.5
101.11553	5.9
103.05461	2.7
105.03361	1.0
105.07047	1.6
107.04961	2.7
107.08597	1.3
108.08106	0.9
109.02914	0.9
109.06519	3.6
110.06040	3.2
110.09648	1.4
111.04440	9.1
112.07600	2.0
115.05421	1.6
117.03400	1.7
117.07043	1.3
117.13923	2.4
119.04953	2.3
120.08073	1.7
121.10134	1.0
122.03632	9.5
123.04485	1.3
126.09130	1.4
127.08684	1.3
128.06212	2.9
128.07082	4.1
129.06979	10.5
131.04924	8.5
131.08537	2.0
133.02849	7.5
135.04401	2.3
136.05171	2.0
136.07581	1.4
137.02341	4.4
137.05962	100.0
138.06335	2.3
138.09155	1.2
139.08644	2.0
140.07047	1.7
141.11472	3.1
141.61642	1.7
143.04958	1.6
143.08568	1.7
144.05682	3.7
145.02811	2.4
145.06499	2.8
146.07291	2.1
147.04391	2.4
149.05994	4.2
149.09648	0.8
151.03876	4.0
151.07549	5.7
153.05493	1.8
154.08653	2.4
157.06473	8.9
158.07269	2.0
159.04356	5.8
159.07999	1.1
160.05223	3.1
161.02324	1.9
161.05936	2.2
161.09625	1.7
162.03131	1.7
163.03918	7.8
163.07503	2.5
163.64369	3.4
164.14439	1.4
165.05472	3.4
165.07028	4.6
166.08646	2.7
167.08481	1.1
168.05698	1.3
171.08127	1.1
172.05209	7.6
172.15588	1.1
173.06026	1.7
174.06750	14.6
175.07532	11.7
177.05490	5.9
177.06926	2.0
177.09082	3.0
178.05905	1.4
178.07617	1.4
179.07004	3.2
179.08444	1.2
181.04935	1.2
181.06462	1.9
182.15376	14.3
183.15706	4.5
184.05177	1.5
185.05988	1.1
187.03914	10.7
187.07521	52.7
188.03442	4.0
188.08076	4.3
189.09074	22.0
190.07809	2.3
190.09435	1.0
191.08572	3.4
193.06496	2.6
196.05206	2.0
197.05952	2.7
199.07504	8.2
199.18062	3.9
200.08165	1.5
202.07713	4.6
203.08519	11.4
205.06494	7.0
205.08391	1.8
206.04442	3.1
207.08194	1.2
208.08862	1.4
209.16457	7.7
210.14871	18.2
210.16785	2.0
211.07478	10.3
211.15292	5.3
213.05434	2.2
213.17784	3.8
213.67914	2.5
217.08575	30.2
219.08015	14.5
220.08743	7.9
221.05971	7.8
221.09521	1.8
222.06573	1.6
223.07503	3.7
225.05504	2.8
225.09065	2.1
226.19171	1.6
227.07112	2.9
227.17513	12.0
227.67569	6.2
228.07837	2.4
228.17885	1.2
231.02814	1.5
231.07997	11.5
232.08775	4.1
233.05891	4.9
233.09567	2.8
235.07512	3.3
236.08292	4.2
237.09088	3.4
238.09732	1.2
239.07004	7.6
240.07817	5.1
241.04878	1.3
247.07500	10.2
248.08281	18.0
249.05435	12.3
249.09122	3.4
250.06181	2.7
251.07048	5.1
251.10597	7.0
253.04927	3.5
253.08720	5.3
253.12105	0.9
254.05582	1.3
254.09326	1.0
255.06413	2.3
256.07269	5.4
259.07529	5.9
260.08179	2.3
261.05585	1.2
261.09128	4.8
262.06076	1.0
262.09631	1.5
263.07065	2.5
263.10641	19.5
264.07773	5.2
264.10861	1.7
265.08569	7.3
266.05762	1.2
267.06549	5.2
268.07358	2.1
270.08755	2.2
271.06641	1.6
271.09616	26.7
272.10019	1.2
273.09082	1.1
275.10663	1.5
276.07748	8.9
276.72736	8.7
277.05466	5.5
277.08600	5.2
277.22955	10.0
277.73010	1.4
278.05673	2.6
278.09369	1.0
279.06567	5.5
279.10150	16.9
280.10760	3.2
281.04483	5.1
281.08002	4.1
281.11411	1.9
282.05307	5.3
282.07898	1.1
283.09625	4.9
291.10117	41.6
292.10730	4.2
293.08136	6.0
293.11127	1.2
295.05991	13.6
295.09500	2.7
296.10376	11.5
297.07559	6.2
297.11115	3.6
308.10431	5.0
309.04028	4.8
310.11966	1.4
311.12708	23.0
312.13199	1.3
313.14224	1.8
323.05487	14.6
323.12747	38.4
324.13181	2.2
326.27963	2.8
327.28262	1.3
331.65338	1.0
340.76218	1.8
341.06577	18.2
341.09900	1.3
341.13666	13.0
342.06955	1.3
343.30634	12.0
344.31110	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01862	1.0
64.11427	0.6
65.03941	1.1
66.04730	0.7
70.92334	0.6
71.05002	0.6
77.03931	0.6
79.05488	1.8
81.03393	0.7
81.07056	1.2
91.05474	2.8
93.03367	0.9
94.04188	3.2
95.04977	1.0
101.41444	0.6
103.05446	2.8
105.03347	0.7
107.04948	2.3
109.06506	2.3
111.04462	1.0
111.72092	0.6
113.77995	0.6
115.05439	1.2
117.07043	0.7
119.04945	1.4
121.06425	0.8
122.03660	6.9
123.04365	0.7
125.05959	1.2
128.06204	2.3
129.06987	9.7
131.04921	5.6
131.08534	1.0
133.02846	1.2
135.04398	1.1
137.02371	7.8
137.05965	100.0
138.06320	3.3
141.07048	0.9
143.08556	1.4
144.05698	3.1
145.06502	1.2
147.04449	1.0
149.05972	2.1
151.03877	1.7
151.07526	4.0
152.14679	0.6
153.05444	0.9
156.05725	1.4
157.06473	6.1
158.07249	1.8
159.04387	2.5
160.05208	1.7
161.05946	1.9
161.09560	1.0
163.03915	1.1
163.07526	1.6
165.05466	2.4
165.07021	2.3
167.07068	1.1
171.08015	2.4
172.05147	5.0
174.06757	10.5
175.07521	7.7
177.05457	3.3
177.06955	1.6
177.09114	0.7
179.07079	1.2
184.05202	0.7
185.06049	1.0
187.03944	3.7
187.07526	34.8
188.08047	2.2
189.07271	1.0
189.09093	17.1
190.07722	2.1
190.09439	0.9
191.07022	1.5
191.08549	3.8
191.53851	0.6
193.06609	0.9
197.05882	0.8
199.07573	5.8
202.07768	4.9
203.06783	1.0
203.08539	13.2
204.08977	1.1
205.06471	6.1
206.06998	0.8
207.08127	1.1
208.08792	1.3
211.07478	2.1
217.06622	0.8
217.08572	22.1
218.07188	1.4
218.09087	0.8
219.08035	10.1
220.08809	5.3
221.05977	6.3
222.06506	1.3
223.07544	3.8
225.05510	0.9
225.09003	0.8
227.07050	1.0
231.08035	15.5
232.08752	3.8
233.06033	5.2
233.09514	2.4
234.06659	1.0
235.07513	1.6
235.11252	0.9
236.08304	2.7
237.09068	2.3
239.06895	1.7
240.07800	1.7
245.09644	1.3
247.07549	7.8
248.08308	17.5
249.05482	10.9
249.08951	2.4
250.06058	1.8
251.07001	3.7
251.10675	5.3
253.04916	2.6
253.08492	2.7
255.06544	0.8
258.06793	0.8
259.07501	6.2
260.08200	3.5
261.05423	1.4
261.09109	4.4
262.09824	0.7
263.07138	2.1
263.10632	17.5
264.07794	2.7
264.10727	0.9
265.08566	5.2
266.05551	0.8
267.06500	2.8
268.07281	1.9
270.08795	2.6
271.09598	4.1
273.09192	0.9
275.06973	0.6
276.07773	8.1
277.04950	5.4
277.08484	4.1
277.17096	0.8
279.06537	5.7
279.10138	14.0
280.10745	2.7
281.08115	2.3
281.11591	1.3
283.09598	2.2
290.09241	0.9
291.10144	39.2
292.10596	3.9
293.08014	5.0
293.11377	1.1
295.05954	8.1
295.09622	1.7
296.10388	10.0
297.07684	0.7
297.11111	2.4
305.11603	1.3
308.10428	4.1
309.11111	2.4
311.12738	14.8
312.12830	1.0
313.14233	1.2
323.05334	1.4
323.12778	31.1
324.13055	2.7
341.06589	2.9
341.13794	29.0
342.14096	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33789	1.0
55.01851	1.1
55.05508	1.1
63.72548	1.0
70.54307	1.9
70.54639	1.0
71.04967	3.5
79.05486	2.7
79.15754	1.0
81.07041	2.2
83.06087	1.5
89.03885	1.5
91.05470	4.1
94.04158	3.7
95.04978	1.2
97.79441	0.9
103.05421	3.3
105.07018	2.4
107.04930	2.3
109.06489	3.5
111.04426	1.3
111.05547	4.7
114.09157	2.0
115.05430	1.9
117.03359	1.7
117.07037	2.2
119.04938	2.3
122.03648	9.5
126.94838	1.0
128.06195	2.1
129.06999	6.3
131.04877	3.0
133.02823	4.6
135.04395	1.7
137.05965	100.0
138.06310	2.2
143.04906	2.5
144.05670	2.5
145.02780	1.8
145.06410	1.7
147.04407	2.2
149.05954	3.5
151.03899	4.5
151.07492	6.8
153.05421	2.8
157.06470	7.0
160.05157	5.0
161.05919	2.1
163.03879	9.5
163.07498	4.6
165.05453	4.6
165.07007	3.0
167.07037	1.5
168.05698	2.0
172.05162	3.2
173.05832	1.5
174.06685	7.0
175.07553	17.9
177.05432	5.6
177.06833	1.5
177.09100	3.4
179.07030	2.3
181.06416	2.0
183.07996	1.1
185.05931	1.2
187.07538	23.6
188.08226	1.7
189.09103	11.8
191.06949	1.9
191.08521	2.1
193.06560	1.6
196.05212	6.5
197.05885	1.9
199.07487	3.6
202.07753	6.6
203.08557	15.7
205.06480	4.1
205.08475	1.8
208.08766	1.5
210.06735	2.1
211.07529	18.9
213.05417	2.3
217.08583	13.6
219.08034	10.8
220.08789	6.5
221.05943	11.4
221.09583	2.9
223.07555	2.3
225.05521	1.5
227.06955	6.0
228.07771	1.6
231.08000	16.9
232.08751	4.1
233.05948	4.7
233.09555	1.9
234.06665	1.6
235.07448	2.0
236.08272	2.5
237.09088	1.9
239.07004	14.1
240.07750	8.1
241.04836	1.4
241.08516	2.0
247.07430	6.5
248.08289	23.2
249.05434	13.7
249.09009	2.5
250.05988	2.6
251.07056	2.9
251.10657	4.0
253.08696	1.7
255.06433	5.1
256.07193	5.2
259.07544	8.0
260.08267	2.9
261.09048	2.9
262.09604	1.4
263.07339	1.8
263.10641	24.3
264.07791	2.6
265.08591	5.6
267.06470	4.6
268.07269	3.2
270.08792	10.3
271.09622	30.2
276.07761	10.0
277.04907	6.7
277.08450	4.5
278.05463	1.6
279.06714	2.5
279.10120	9.8
280.07648	1.1
280.10794	2.2
281.04541	2.5
281.08035	1.6
281.11838	1.8
282.08710	1.2
283.09622	7.1
285.07581	1.6
291.10120	60.9
292.10773	5.5
293.08145	6.2
293.10989	1.4
295.05991	16.7
296.07016	1.4
296.10458	4.2
297.11218	3.4
308.10498	5.7
309.11057	3.1
311.12744	10.3
313.14328	3.2
323.05444	4.8
323.12781	26.5
323.19357	2.8
324.13016	1.6
341.06778	10.7
341.10123	2.1
341.13782	34.1
342.13992	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.92553	0.9
55.05508	6.7
65.03938	1.1
70.54281	1.0
71.04984	4.4
79.05485	2.3
81.07040	1.1
82.06559	3.1
83.08614	3.9
84.08946	1.0
91.05490	3.1
93.03411	1.3
94.04196	3.2
98.58628	1.0
100.07625	1.8
100.11247	26.8
101.11594	3.0
107.04951	1.5
107.90211	1.0
109.06506	3.0
110.06055	2.3
111.04443	4.5
112.79229	1.0
115.05423	1.3
117.13902	1.0
119.04955	1.8
122.03629	6.1
125.05991	1.1
126.09184	1.2
128.06210	2.4
128.07079	2.9
129.06927	6.8
131.04932	3.9
131.08569	1.2
133.02853	6.0
137.05965	100.0
138.06351	1.9
140.07063	1.2
141.11441	1.9
143.04898	1.5
144.05721	3.2
145.06490	1.8
147.04362	1.3
149.06000	4.8
151.03854	2.0
151.07552	6.3
153.05467	1.4
157.06480	6.5
158.07243	1.8
158.11819	1.2
160.05165	3.3
161.06038	1.9
162.06541	1.1
163.03850	2.2
163.07578	1.9
165.05449	5.1
172.05193	4.5
174.06776	5.1
175.07544	20.1
176.08298	1.3
177.05428	5.4
177.09053	2.3
179.07031	4.3
182.15390	7.0
183.15730	1.2
185.06020	1.5
187.07524	27.7
188.08026	1.2
189.09071	11.5
191.06976	1.5
191.08549	2.0
192.09273	1.2
194.07266	1.1
196.05128	5.3
197.06055	2.6
199.07581	3.2
199.17941	1.5
202.07784	2.4
203.08524	12.5
205.06602	2.3
205.08513	2.1
209.16479	4.5
210.14876	9.3
210.16667	1.8
211.07530	20.4
211.15173	3.6
213.05434	3.4
213.17842	4.0
213.68060	1.6
217.08578	13.8
219.08063	7.6
220.08801	4.1
221.05934	1.7
221.09505	2.8
225.05499	1.7
226.19194	1.9
227.07062	6.0
227.17528	6.4
227.67711	4.3
228.07806	1.5
231.07993	16.9
232.08662	2.7
233.05917	2.3
233.09557	2.4
234.06648	1.6
235.07607	2.0
236.08212	1.9
237.08989	1.5
239.06979	15.1
240.07745	9.1
241.04967	1.4
247.07590	5.7
248.08290	18.5
249.08925	3.4
250.06166	1.7
251.10655	4.0
253.08696	1.7
253.12273	1.4
254.09561	1.5
255.06496	4.5
256.07321	9.2
259.07504	4.3
260.08316	3.5
261.09131	3.0
263.07104	1.8
263.10629	17.9
264.07840	3.1
264.10782	1.6
265.08594	5.3
267.06451	1.2
268.07239	2.9
270.08887	8.5
271.09616	40.4
276.07779	11.4
276.70032	1.1
276.72598	5.0
277.05670	1.0
277.08392	5.4
277.22946	6.6
279.10138	10.9
280.10858	1.7
281.08182	2.3
281.11618	2.3
282.09003	1.2
283.09668	9.2
291.10138	53.9
292.10748	6.0
293.08176	5.4
294.08408	1.1
295.05875	1.4
296.10440	6.5
297.11145	3.4
307.09387	1.1
308.10428	7.5
309.11203	3.9
311.12744	10.7
313.14197	2.7
323.12784	31.7
324.13181	1.5
331.75650	1.5
340.26041	1.1
341.07001	1.4
341.13812	29.6
342.14145	1.7
343.30688	6.1
344.31058	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	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.7
55.05504	1.9
65.03928	1.2
67.05489	1.4
69.49541	5.9
71.04966	4.0
72.60455	1.2
79.05474	2.4
81.07024	2.5
85.06522	2.2
89.03901	4.4
91.05475	5.3
94.04172	3.6
95.04995	1.7
103.05459	2.8
105.03350	1.3
105.07019	1.8
107.04914	2.6
107.08643	1.3
109.06499	4.0
111.04417	2.4
115.05473	3.0
117.03385	2.7
119.04945	2.6
122.03644	9.8
123.04443	2.1
123.11647	1.6
125.05970	1.7
128.06252	3.0
129.06978	11.6
130.28304	1.1
131.04904	4.8
131.08563	1.7
133.02809	6.1
135.04411	6.5
137.02338	12.0
137.05962	100.0
138.06270	1.8
139.11098	1.2
143.04883	2.2
143.09665	1.2
144.05692	3.7
145.02803	3.0
145.06433	1.3
147.04387	2.5
149.05946	5.0
151.03859	4.9
151.07559	5.3
153.05487	2.1
157.06430	6.5
158.07239	3.5
159.04468	3.1
160.05154	5.2
161.05975	2.8
162.78957	1.2
163.03883	13.5
163.07518	1.8
165.05472	3.6
165.06992	9.8
167.08527	2.0
171.08012	1.7
172.05212	5.7
173.05824	1.5
174.06737	15.1
175.07523	11.3
176.06158	1.8
177.05460	4.7
177.06981	9.2
177.08885	1.3
179.07074	2.6
184.05005	1.7
185.06009	1.7
187.03896	5.0
187.07516	57.6
188.08110	2.7
189.09071	20.1
190.07747	2.2
191.06964	1.7
191.08551	4.5
193.06422	9.7
194.07169	1.4
196.05182	2.9
197.05940	5.0
199.07524	5.4
202.07770	4.5
203.08531	12.6
205.06450	17.0
205.08269	2.1
206.06889	2.3
208.08791	2.4
211.07491	14.7
213.01663	1.5
213.05441	3.2
217.08569	30.3
218.07137	2.2
219.08047	16.7
220.08781	8.2
221.05945	55.1
221.09268	2.8
222.06419	2.0
223.07507	14.6
225.05435	4.1
225.09138	2.2
227.06938	1.5
231.02832	2.7
231.07944	13.1
232.08740	4.2
233.05925	13.6
234.06572	2.1
235.07521	4.2
236.08318	2.7
237.09009	4.6
239.07007	15.1
240.07791	7.1
247.07422	9.6
248.08298	18.5
249.05437	67.0
249.09154	2.7
250.06079	10.2
251.07016	16.3
251.10623	6.5
253.05019	7.8
253.08620	4.5
255.06625	3.7
256.07166	4.2
259.07541	4.3
260.08286	2.5
261.05475	3.2
261.09164	4.6
263.07172	1.8
263.07626	2.0
263.10641	15.1
263.15076	1.4
264.07581	2.7
265.08588	8.4
266.05692	1.3
267.06482	22.3
268.07101	3.3
269.07889	1.7
270.08728	2.0
271.06387	1.6
271.09631	22.1
276.07822	8.9
277.04932	31.3
277.08435	5.5
278.05481	3.9
279.06497	16.2
279.10132	16.9
280.10794	2.9
281.04398	12.9
281.07736	2.2
281.11530	2.1
282.05154	1.7
283.09610	5.4
285.07632	2.2
291.10104	40.4
292.10733	5.2
293.08029	7.8
293.11050	1.6
294.05203	1.8
295.05981	83.0
296.06433	5.9
296.10397	12.6
297.07556	2.1
297.11099	5.1
305.04453	2.5
308.10373	5.6
311.12708	20.2
312.13046	1.4
313.06973	4.8
313.14175	1.7
323.05493	26.1
323.12756	35.5
324.05887	1.9
341.02335	3.0
341.06516	59.0
341.13101	10.8
342.06750	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01867	2.0
55.05510	1.0
67.05521	1.3
69.07054	3.3
72.58363	0.9
77.03954	1.1
79.05482	2.7
81.03397	1.6
81.07066	6.6
85.02913	1.1
88.31428	1.0
89.03891	1.9
91.05504	4.5
93.07034	3.6
94.04211	1.8
95.04983	2.4
95.08606	3.0
95.76337	0.9
100.11256	3.9
103.05447	3.0
105.07013	2.7
107.04939	3.6
107.08589	2.2
109.06514	3.7
109.10135	1.6
111.04428	1.8
112.75735	1.1
115.05451	1.7
117.03368	1.8
118.57639	1.1
118.84207	1.0
119.04919	2.7
121.10168	1.6
122.03601	5.2
123.11725	2.2
128.06241	2.9
129.06996	10.9
131.04910	6.3
133.02849	7.2
133.06500	1.1
133.10129	2.0
135.04460	1.3
137.05968	62.2
138.06296	1.3
145.02831	4.0
145.06409	1.1
145.10081	1.3
146.03435	1.1
147.03369	1.5
147.04427	3.9
147.11685	1.2
149.05972	2.0
151.03900	26.5
151.05019	4.1
151.07561	6.0
157.06462	8.6
159.04430	1.0
159.07991	1.3
161.05969	4.3
163.03929	2.4
163.07561	3.9
165.05519	1.8
165.07027	1.5
167.07033	1.9
172.05231	1.5
174.06763	6.2
175.07527	3.4
177.05482	4.2
178.05762	2.3
179.05870	2.3
187.07532	6.7
189.07388	1.9
189.09068	14.6
190.07742	3.1
191.06985	6.4
191.08569	11.7
192.09335	1.9
193.06612	1.0
199.07529	2.7
201.07025	1.3
201.08977	0.9
202.07765	6.9
203.08527	28.2
204.09148	1.2
205.06525	3.2
205.10300	1.3
207.08060	1.9
208.08844	1.3
210.14877	1.5
211.07626	1.0
215.16400	1.1
217.06551	1.6
217.08348	4.6
218.07254	3.4
219.08022	28.0
220.08800	11.6
221.06044	2.9
221.09464	2.2
222.06667	1.4
223.07590	1.2
230.07144	1.1
231.08035	32.7
232.08719	8.2
233.05940	3.4
233.09573	1.9
234.06703	2.0
235.07541	4.3
236.08345	4.0
237.09116	3.5
239.71555	1.1
240.07953	1.2
245.09648	1.6
246.06732	1.5
247.07518	30.1
248.08304	35.1
248.10901	1.7
249.05507	3.0
249.09003	7.0
250.06218	1.5
250.09871	1.5
251.07187	2.0
251.10614	3.9
253.47986	1.2
259.07559	10.5
260.08237	4.1
261.09082	9.6
262.09726	2.5
263.07468	2.3
263.10663	45.8
264.07758	5.4
264.11038	3.3
265.08572	7.8
266.09180	1.7
267.06592	1.5
267.09790	1.1
276.07748	13.6
277.08411	6.8
278.09277	1.3
279.10138	42.6
280.10785	3.4
281.07922	1.5
281.11676	4.7
283.09726	1.1
291.10129	66.0
292.10727	6.4
293.07993	6.0
295.06052	4.1
295.09338	1.9
296.10059	1.3
305.11633	1.8
308.10306	5.9
309.11197	23.5
310.11816	2.2
311.12598	5.1
323.05453	2.0
323.12787	32.8
324.13199	2.5
331.75229	1.2
336.92065	1.0
341.13815	100.0
342.14078	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	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
57.03485	1.4
57.35206	1.2
64.73152	1.2
65.03912	1.6
66.62672	1.3
66.87116	1.3
69.03432	1.6
69.77172	2.0
69.77512	3.3
71.04987	1.9
79.05489	3.9
91.05477	5.4
94.04180	3.7
95.04971	1.7
103.05441	4.2
107.04949	3.9
107.08521	1.4
109.06530	3.1
111.04527	1.4
115.05403	1.9
117.03378	2.5
117.07040	1.9
118.29578	1.5
119.04987	2.6
122.03644	7.9
128.06210	3.2
129.07007	10.4
131.04930	6.2
133.02855	4.0
137.02368	13.2
137.05968	100.0
138.06308	2.8
141.06923	1.6
144.05734	3.5
145.02838	1.7
145.06487	2.8
147.04410	2.3
149.05989	3.8
151.03908	2.2
151.07481	2.9
156.05736	1.4
157.06497	6.3
158.07242	1.7
159.04407	3.8
159.07962	1.6
160.05151	3.5
161.06017	3.2
163.07574	1.9
165.05583	2.9
165.07030	5.9
167.07063	1.6
172.05205	5.5
174.06772	10.6
175.07532	14.6
177.05519	8.2
177.06871	2.2
177.09088	2.2
178.05794	2.5
179.07095	2.6
181.06519	1.9
187.03943	6.2
187.07529	41.7
188.08118	2.1
189.09073	17.0
191.08583	3.4
193.06528	2.6
195.65842	1.5
196.05127	2.7
197.06030	2.9
199.07521	6.1
202.07787	3.7
203.08554	13.0
205.06476	10.3
206.07182	1.6
208.08885	1.4
211.07530	10.8
217.08569	24.5
218.07095	1.8
219.08003	9.3
220.08754	6.3
221.05968	13.6
221.09528	3.1
223.07581	8.4
225.05472	4.5
227.07024	5.3
228.07814	1.6
231.08018	14.5
232.08763	1.7
233.05977	9.2
233.09538	2.6
234.06561	2.4
235.07481	3.4
236.08301	3.2
237.09247	1.9
239.07004	8.6
240.07811	5.2
241.04849	1.3
245.09842	1.4
247.07579	7.3
248.08311	18.0
249.05464	22.5
249.08147	2.3
249.09100	3.0
250.05984	2.3
251.06905	10.0
251.10754	6.5
253.04907	3.3
253.08678	3.0
255.06595	4.3
256.07260	5.4
259.07535	7.2
260.08356	2.8
261.05386	3.0
261.09036	2.6
263.07214	2.0
263.10648	16.3
264.07919	3.2
265.08606	6.1
266.09314	1.8
267.06522	8.1
268.07217	2.5
270.08826	7.6
271.09601	22.1
276.07718	9.9
277.04959	8.3
277.08527	6.2
278.05872	2.5
279.06509	10.7
279.10135	15.6
280.07230	1.9
280.10809	2.8
281.08105	3.6
281.11554	2.1
283.09659	5.7
291.10132	42.6
292.10715	4.3
293.07983	7.2
295.06000	18.4
296.06516	2.3
296.10397	8.0
297.07452	1.9
297.11057	2.9
308.10364	5.8
309.11063	5.5
311.12747	14.3
313.14307	3.0
323.05374	3.7
323.12781	33.8
324.12988	2.4
341.06616	13.9
341.13733	19.4
341.20123	1.9
342.14072	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	3.3
60.97403	1.2
69.03409	1.4
69.75980	3.2
72.68222	1.1
84.08118	1.1
91.05772	2.1
91.40298	1.0
93.59155	1.1
97.59380	1.0
98.97576	21.5
112.07584	17.5
113.76369	1.2
116.98589	8.6
122.04538	1.3
133.88972	1.1
134.99620	2.3
139.36040	1.2
140.05588	3.0
148.20612	1.0
156.96454	1.2
158.06613	27.8
158.07835	1.9
159.06679	1.2
163.10741	1.1
170.06680	5.0
174.97678	4.6
176.07660	12.3
184.26704	1.1
186.06062	1.4
188.07646	12.0
192.98715	2.4
198.97549	1.1
212.07654	35.3
212.09692	2.1
213.07942	1.8
214.95529	2.8
216.98723	12.9
217.98936	1.7
219.01900	1.4
225.10811	12.3
230.08707	23.3
232.96689	4.9
234.99722	16.9
236.00047	1.2
239.12393	2.0
243.11928	4.7
250.97624	1.9
251.12384	55.2
252.12633	4.1
256.96661	5.7
258.99820	3.2
262.03220	3.4
263.02765	1.3
263.12381	34.7
264.12704	2.7
269.13431	22.5
269.16190	1.9
270.13547	1.8
274.97681	10.2
277.00793	4.4
281.13431	100.0
282.13644	8.5
294.53912	1.2
298.97754	24.0
299.00983	2.1
299.97842	3.4
313.08362	1.1
316.98779	32.0
317.98883	5.8
340.98624	7.0
358.99661	11.9
360.00000	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26733	2.5
59.15646	2.7
62.94064	2.6
62.98246	10.2
70.12311	8.3
75.13965	3.0
81.63597	2.6
111.91354	2.6
193.10196	3.1
211.14848	3.0
221.09587	3.8
226.32628	3.1
234.10545	2.7
239.10512	2.8
253.15865	9.3
281.15332	40.6
294.49438	3.5
299.16431	10.5
301.08417	3.4
308.17419	65.7
323.19647	11.7
337.22162	3.7
341.16782	7.1
341.20648	100.0
342.20810	3.3
342.37662	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	341.1747
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
52.14415	0.5
55.05512	0.7
57.07061	0.5
69.03419	0.8
69.74553	0.8
69.74910	1.3
71.64211	0.5
79.05486	0.9
81.07048	0.6
109.05928	0.5
148.19284	0.5
153.06870	0.6
154.07724	0.6
165.06964	2.3
166.07820	0.5
167.08528	1.5
169.06474	0.9
169.10121	0.6
178.07782	4.5
179.08519	3.5
180.09369	0.5
181.06444	1.0
181.10114	1.4
182.07278	1.0
183.08047	1.2
191.08548	2.7
192.09268	3.2
193.06529	0.9
193.10103	9.5
194.07303	0.5
194.10834	1.2
195.08084	2.4
195.11700	1.1
196.08818	0.6
197.06001	1.4
197.09502	0.8
198.06766	2.0
200.08389	0.6
203.08553	1.8
205.06458	0.9
205.10094	5.4
206.07448	1.1
206.10869	4.7
207.08047	2.8
207.11729	3.4
208.08812	1.0
208.12436	0.5
209.09618	3.2
210.06709	1.4
211.07471	4.4
211.11053	1.2
212.08273	0.6
213.09143	1.4
215.08534	1.6
217.10104	1.2
219.08005	6.6
219.11620	0.7
220.08810	3.8
220.12411	7.1
221.09590	11.6
221.13081	1.2
222.10373	5.5
223.07530	2.9
223.11093	2.3
224.08351	1.7
224.11923	1.1
225.09109	6.6
230.10861	2.3
233.09595	10.2
234.10347	6.8
235.11177	4.7
235.14786	10.9
236.15160	0.9
237.09076	7.0
238.09851	19.3
239.10634	21.9
240.11418	9.0
245.13368	0.7
247.11346	0.6
248.11926	9.7
249.12483	1.0
251.10609	6.7
251.13319	0.5
251.14293	0.7
252.11421	23.5
253.12160	6.3
253.15848	0.9
262.46484	0.6
263.10107	1.0
263.14282	20.5
264.14850	1.1
266.12982	15.7
267.13287	1.1
281.15335	100.0
282.15665	6.4
299.16354	3.0
301.08319	3.6
308.17380	0.6
340.35593	0.7
341.17426	65.8
342.17773	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	341.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01868	3.4
55.05504	4.8
55.73539	1.6
56.43620	2.0
65.03928	1.5
67.05500	7.6
69.03423	4.1
69.07064	4.0
69.93107	3.6
69.93468	2.8
71.04985	3.2
79.05486	21.0
81.03412	2.8
81.07052	73.4
83.04965	8.5
85.06541	2.0
91.05471	21.7
93.07037	18.1
95.04964	21.5
95.08592	9.9
97.06515	4.9
97.13109	1.6
98.22774	3.5
103.05490	3.9
105.07019	37.0
107.04944	5.0
107.08582	22.6
109.06501	11.5
109.10145	2.9
115.05445	5.2
117.07008	12.8
119.08573	18.1
121.06509	8.8
121.10117	4.3
123.08059	6.0
125.05981	15.7
128.06219	13.8
129.06999	20.2
130.07761	7.0
131.04926	1.9
131.08548	22.3
132.29538	2.3
133.06487	8.1
133.10127	14.9
135.08040	8.5
137.05937	8.7
139.07533	2.2
141.06985	4.3
142.07776	8.0
143.08548	55.2
143.09628	3.8
145.02863	3.0
145.06500	13.1
145.08965	3.7
145.10110	74.1
147.08063	8.2
147.11639	4.1
149.05998	4.8
149.09595	16.7
151.07530	5.6
153.06982	3.1
155.08537	16.4
156.09286	7.6
157.10135	27.8
158.07234	2.6
159.08047	4.1
159.11673	9.1
161.09613	25.2
161.13235	4.7
165.07018	7.4
169.10132	5.8
170.10887	2.8
171.08058	9.4
171.11642	9.8
173.09604	49.5
173.13306	2.2
175.07556	4.9
175.11209	4.8
175.14842	6.1
177.05495	2.7
179.05936	1.8
180.09334	6.9
183.08122	2.2
183.11554	3.5
184.08919	2.8
185.09656	2.6
185.13240	45.1
187.03979	2.0
187.11209	7.6
189.09085	4.9
189.12767	7.2
191.10681	3.0
195.11661	17.2
198.10335	4.1
201.12767	5.1
203.14284	36.3
203.16019	2.8
213.12723	51.9
214.13048	3.2
221.05928	2.2
231.13782	100.0
232.14139	5.2
233.06133	2.2
245.15404	4.6
249.05435	4.1
249.14940	7.3
251.07013	2.0
277.04855	3.2
291.10580	1.8
291.15866	39.8
295.05954	4.8
309.16943	1.8
323.05374	1.9
341.06406	4.2
341.19479	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	341.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06603	1.4
55.05476	6.1
57.07059	2.3
67.05502	8.3
69.07036	4.8
69.81132	6.0
71.04955	2.3
71.08591	2.0
78.09647	1.6
79.05460	6.6
81.07053	24.9
83.08604	2.8
83.80524	1.7
86.06072	2.9
91.05460	7.6
93.06518	1.6
93.07031	17.7
95.04923	1.9
95.08591	21.2
97.06515	3.6
97.10133	2.6
98.22757	1.9
105.06421	1.8
105.07018	14.2
107.08588	22.3
109.10145	13.6
111.08061	3.1
111.84927	1.6
117.06958	1.9
119.08571	15.0
121.10127	14.9
123.07996	2.4
123.11646	3.4
125.09552	2.3
126.53731	1.6
131.08519	4.5
133.10112	9.7
135.11641	5.7
137.13177	2.0
143.08496	3.0
145.10114	10.0
147.11681	10.0
149.13222	8.7
157.10040	3.0
159.11588	7.3
161.09546	2.4
161.13148	6.5
163.14757	2.3
171.11584	3.8
173.13162	6.5
175.14821	11.4
177.16376	8.5
187.14737	5.2
189.16338	3.2
199.14737	2.5
199.59007	1.6
201.16228	1.7
203.17931	3.5
213.16243	3.0
215.17871	4.2
217.19336	1.9
227.17931	2.1
323.27078	6.5
341.26443	100.0
342.26709	5.9
342.37238	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	342.097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04136	1.1
61.02906	2.7
65.06361	1.2
67.05508	2.6
68.99767	2.0
69.03426	5.6
69.89290	4.8
70.81627	1.3
72.11832	1.4
76.31300	2.0
77.03941	1.3
79.05486	4.1
83.04940	1.8
84.79849	1.5
85.02889	4.7
85.45445	1.5
86.93439	1.6
92.02578	1.3
95.04974	7.2
99.04463	8.7
105.03369	3.3
106.06552	1.8
107.04958	5.0
117.05492	6.3
120.02061	1.3
123.04408	18.2
125.06040	1.3
127.03933	1.9
131.03665	3.3
132.04425	2.0
133.02863	4.5
135.04385	14.5
135.27013	1.4
137.07655	1.3
139.03923	3.7
140.04712	3.4
145.05035	2.5
146.06017	1.4
149.05969	2.2
150.05446	2.9
151.05002	2.9
153.05472	43.1
153.06857	2.0
154.06552	1.7
162.05527	3.5
163.03899	59.0
163.06042	5.7
164.04652	1.9
167.07281	2.3
168.07942	1.5
170.05981	2.3
171.06694	1.5
172.03917	5.2
173.04745	11.6
178.04980	8.4
180.08131	2.0
181.06477	1.4
182.05956	1.6
183.06731	2.8
188.07109	3.2
190.04984	1.9
194.06038	2.5
195.06720	2.0
196.07513	4.9
198.05566	3.9
198.09131	1.6
200.07103	2.1
202.05019	3.5
204.06584	2.1
207.06764	1.7
208.07579	2.9
209.09731	1.9
210.05577	4.2
211.06000	2.1
211.07735	2.1
212.07036	2.1
215.05766	1.5
216.06493	2.0
221.04742	2.7
222.05510	5.9
223.06096	1.8
224.07101	5.0
225.07791	2.7
226.08623	3.4
228.06560	10.7
229.07399	2.2
234.05641	2.0
236.07156	4.4
238.04926	13.5
238.08723	1.9
239.05672	4.7
241.07249	1.9
242.04657	1.9
242.08023	2.9
250.05072	5.8
251.05742	3.0
252.06590	17.6
253.07243	8.9
253.12076	1.8
254.04985	1.4
254.07990	8.6
255.10342	1.7
256.06006	11.8
258.07382	2.7
264.06635	4.5
265.07092	1.7
265.08737	1.6
266.04391	6.7
266.08282	1.7
267.05197	6.5
268.06042	4.9
268.09683	21.6
269.06821	5.8
270.07553	2.2
271.08508	3.1
278.04480	15.8
279.05185	2.0
280.06070	10.3
281.06760	13.8
282.07602	23.5
283.08151	1.9
284.05493	10.9
284.08673	2.5
292.06015	6.3
293.06650	2.7
294.03961	4.8
295.04916	3.6
295.08224	1.8
296.05576	17.6
296.09167	36.9
297.09592	1.6
298.07172	8.6
299.07874	26.6
309.06335	4.1
310.07089	28.2
311.07861	31.8
312.04944	3.1
312.08469	3.5
313.09476	3.2
314.10196	36.7
315.10355	2.2
324.08636	100.0
325.09216	5.5
327.07297	6.3
342.09720	85.1
343.10080	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	342.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16991	0.4
56.68622	0.4
60.86613	0.4
70.69248	0.6
80.22558	0.3
85.02862	0.5
92.15858	0.4
98.22848	0.5
98.97559	0.5
154.02147	0.5
180.06288	100.0
181.06615	2.1
185.04179	0.5
229.24583	0.4
255.09708	0.4
342.11557	25.3
343.11798	0.7
358.27014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22956	1.0
54.72393	1.0
61.02922	1.8
65.03933	5.4
67.05508	1.0
69.03432	6.5
70.06587	54.3
70.21992	1.0
73.02917	1.5
74.56210	1.0
75.04473	1.5
79.05485	1.9
81.03405	7.1
82.04188	1.5
83.04972	1.3
85.02901	8.7
85.75338	0.9
91.03924	2.6
91.05447	1.6
93.03396	1.1
95.04947	3.4
97.02868	2.4
97.06507	1.9
99.04459	7.6
103.76015	1.1
107.04948	1.0
109.02879	2.8
109.06516	1.5
110.03707	1.3
111.04445	1.6
116.07082	100.0
117.05483	4.3
117.07458	1.5
119.04946	1.4
123.04408	5.0
125.05986	2.5
127.03897	3.8
137.02299	1.1
137.05960	15.3
138.03117	1.4
139.03899	5.4
139.07574	2.6
140.04662	8.1
143.96210	1.0
145.04936	2.8
146.22926	1.0
147.04385	1.2
149.06009	1.2
150.03114	1.1
152.04688	1.3
153.05449	30.1
154.06290	6.3
154.42955	1.2
155.07039	4.1
157.76759	1.2
163.03905	1.8
163.06020	3.5
165.01828	3.7
165.06651	1.2
167.07027	33.4
171.06508	3.0
177.05457	1.7
180.04179	5.3
181.04939	74.6
195.06514	4.4
199.06004	3.2
212.06766	7.5
222.06310	1.3
227.09126	42.3
228.09479	1.8
250.05801	2.7
252.07277	1.4
252.61107	1.2
296.06290	2.2
310.12860	6.8
325.09198	6.9
342.12503	2.2
343.10089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38434	3.2
58.15310	3.4
62.61813	3.3
69.76451	10.9
76.70589	3.2
81.06204	3.3
88.67712	3.1
99.04440	10.6
117.05457	5.8
163.05960	5.5
190.07773	5.5
204.09332	5.0
218.07253	5.3
219.11646	7.7
223.11143	8.6
235.07509	5.0
240.23158	10.7
247.11253	29.2
249.09210	9.1
250.09724	8.8
251.10680	48.6
265.08481	8.0
265.12213	10.6
275.10651	52.4
278.09399	25.5
293.11700	100.0
294.11786	4.8
311.12808	32.8
341.28500	10.9
342.28830	11.8
343.11603	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	342.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.8
57.07074	13.4
61.02914	2.1
62.15923	1.4
69.03421	4.8
70.06578	7.1
81.03408	5.7
81.07069	2.2
83.08607	4.2
85.02897	15.5
86.09718	2.6
89.06024	41.5
97.02887	6.3
101.09652	17.8
107.07063	40.8
107.38738	1.6
109.02921	1.9
111.05537	4.4
125.09039	1.6
127.03908	1.7
128.91432	1.5
142.03253	4.9
145.02878	2.3
145.04974	2.9
152.42233	1.5
162.02238	2.4
163.03833	2.0
163.13283	100.0
164.13608	3.3
181.04961	12.4
189.05188	1.5
204.06238	1.7
224.07903	1.6
229.15521	2.8
250.05824	4.1
252.07364	2.1
280.06720	2.3
296.06287	3.0
324.20001	4.3
325.09274	2.1
342.06882	1.6
342.19138	2.0
343.12546	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	342.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	7.8
58.06590	4.4
62.06069	4.2
63.29858	1.7
67.05877	1.7
71.08636	3.2
71.44206	1.8
80.75923	1.8
96.50260	1.8
160.36790	2.2
174.18491	4.4
195.07922	1.9
237.12582	5.1
239.14272	6.7
240.23120	2.6
259.44620	1.9
279.17291	2.8
282.08588	2.6
295.96811	2.0
299.08893	2.1
313.06885	4.4
342.26950	29.2
342.37247	100.0
343.11673	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	342.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
57.07071	9.2
58.06596	1.4
62.06083	3.5
69.07057	0.4
69.17873	0.2
69.29649	0.2
70.92870	0.3
71.08623	4.7
72.08138	1.2
75.48276	0.2
76.97342	0.2
85.10176	0.8
95.03686	0.2
121.11990	0.2
156.17474	1.8
170.19054	0.4
174.18512	6.0
176.96400	0.2
202.21640	0.8
212.23685	1.7
228.23083	0.2
230.24757	4.3
324.36069	1.1
336.87637	0.2
342.37256	100.0
343.11917	0.3
343.37598	6.5
351.81879	0.2
358.19168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06802	0.3
52.24628	0.3
53.03923	0.3
57.03430	0.9
58.99567	0.9
59.80127	0.3
63.02352	0.3
69.22190	1.8
76.03994	0.4
79.05479	2.1
80.04987	0.6
81.03403	0.4
81.07045	3.3
84.04517	0.3
86.99033	0.7
89.03911	8.9
91.05448	0.4
95.04954	1.0
96.04465	0.4
97.06480	0.3
98.22650	0.5
99.08070	1.4
103.05444	0.4
107.04942	2.4
114.03721	0.8
116.01671	3.1
117.03368	11.9
118.03695	0.5
135.04407	20.3
136.04785	0.4
140.04706	0.4
142.02150	0.2
142.03207	5.7
144.01152	0.8
145.02834	13.8
145.03847	0.5
146.03111	0.4
156.37726	0.3
161.06053	0.3
162.02216	3.9
163.03888	100.0
164.04247	2.7
170.02701	1.7
181.04910	2.5
181.08606	0.3
189.09076	0.4
206.07376	0.3
245.05917	0.7
260.09537	0.4
281.16943	0.3
290.80368	0.3
297.06354	0.4
325.09091	0.3
346.26135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1024
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
51.35607	0.3
53.03940	2.8
55.01854	1.2
55.05500	0.9
57.03427	2.0
65.03937	5.6
67.05494	2.1
69.03065	0.4
69.03425	6.5
69.07065	0.3
71.04977	1.2
71.06236	0.4
72.46100	0.3
73.02904	0.9
77.03018	0.3
77.03912	0.4
79.05473	1.1
80.05008	0.4
80.20772	0.3
81.03410	19.6
81.07059	1.8
82.03748	0.4
82.04189	1.9
83.04996	0.3
85.02404	0.6
85.02896	9.5
86.69353	0.3
89.03907	0.3
91.05442	0.5
93.03387	2.4
93.07014	0.3
95.04955	4.8
96.66113	0.3
97.02901	2.2
97.06512	1.5
99.04448	2.1
99.08093	0.6
100.11248	2.3
105.04526	0.8
107.04932	1.2
108.02070	0.8
109.02871	8.8
110.03648	2.9
111.04449	3.4
116.01649	1.1
117.03356	0.9
121.02824	0.5
121.04046	0.3
123.04436	2.2
125.02357	1.1
125.05977	2.0
127.03902	2.3
131.04900	0.5
134.40715	0.3
135.04391	3.7
136.05157	0.3
137.05951	1.4
138.03094	1.6
139.03893	3.7
140.04669	13.3
142.03337	1.9
144.01198	0.5
145.02814	1.3
151.03897	0.8
153.05450	3.9
155.06999	4.7
156.13760	0.5
159.75746	0.3
162.02168	1.7
163.03897	8.4
170.02649	1.2
171.06511	5.1
181.04939	100.0
182.05240	2.3
184.03674	0.3
189.09184	0.3
198.05295	0.4
199.06007	4.2
209.16455	0.4
222.97046	0.3
239.06682	0.3
245.05902	0.3
283.08301	0.4
297.07507	0.9
325.09177	16.9
326.09561	0.8
343.10089	0.5
343.15350	0.8
343.30655	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1025
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
50.90546	1.0
53.17340	1.0
56.26593	0.9
61.02909	1.1
65.03942	5.5
67.05497	2.0
68.25343	0.9
69.03441	5.0
69.58459	4.5
81.03419	6.3
82.04214	1.4
85.02900	7.8
86.62988	1.1
91.05774	1.2
93.03426	1.3
95.04963	2.8
97.02892	3.0
97.06523	2.0
98.23431	1.2
98.97546	1.6
99.04469	2.8
109.02864	2.9
110.03646	2.8
119.62739	1.0
123.04453	1.2
125.05988	1.5
127.03931	3.1
138.03143	1.1
140.04691	6.3
150.05519	9.2
152.48734	1.1
153.05479	3.4
155.07050	2.0
171.06535	6.6
177.05406	1.5
181.04944	100.0
182.05365	3.2
199.06062	1.7
236.04756	2.0
240.35175	1.1
241.05193	1.0
251.07076	1.9
264.04254	3.1
279.06448	5.7
293.25967	1.1
297.07495	3.7
307.05957	3.5
325.07040	4.1
343.13525	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	343.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01858	1.1
57.03416	1.7
57.51095	0.4
60.23509	0.4
61.02916	0.6
65.03935	7.1
67.05502	2.0
69.03421	7.5
69.33026	1.1
69.33434	1.3
71.04979	1.4
73.02896	0.8
77.03916	0.9
79.05479	0.7
81.03410	22.9
82.04180	2.5
85.02894	11.5
90.71898	0.3
91.05452	0.5
93.03394	1.6
93.80410	0.4
95.04958	5.6
97.02896	2.1
97.06537	2.2
99.04469	2.0
105.04440	0.5
107.04935	0.8
107.08616	0.6
108.02079	1.2
109.02869	8.3
109.06568	0.5
110.03669	3.4
111.04406	1.5
114.97273	0.4
116.04249	0.4
118.03408	0.3
123.04463	1.9
125.02338	0.9
125.06024	2.2
125.60226	0.4
127.03920	2.6
131.04916	0.7
133.06520	0.5
137.05974	2.6
138.03096	2.0
139.03836	0.5
140.04671	14.1
142.02582	0.9
145.02838	1.1
149.05899	0.6
149.50648	0.4
153.05457	5.4
155.07004	4.7
161.05962	1.2
163.03870	1.2
163.07489	0.5
163.11163	2.6
171.06490	6.0
175.07492	1.2
177.05511	0.8
179.21046	0.4
181.04936	100.0
181.12079	0.8
182.05310	3.0
184.03624	0.6
199.06000	4.2
235.07573	0.4
237.09044	0.6
251.07101	0.4
265.08548	0.6
284.10239	0.4
297.11218	1.2
299.12897	0.8
307.09811	0.5
311.12732	2.2
325.09146	14.4
326.09525	0.7
343.10419	0.8
343.15179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1023
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03951	2.5
55.01857	0.9
57.03421	1.1
65.03937	5.2
67.05505	2.5
68.84974	0.4
69.03426	6.5
71.01344	0.5
71.04980	0.8
71.22822	0.7
73.02893	1.0
79.05473	0.6
81.03413	20.7
82.03768	0.5
82.04202	2.2
85.02901	8.5
91.02553	0.4
93.03418	0.9
95.04967	3.7
97.02886	2.3
97.06530	1.7
99.04470	2.6
102.19656	0.4
108.02119	0.9
109.02885	7.2
109.09935	0.4
110.03678	2.6
111.04431	0.9
113.79617	0.4
123.00758	0.4
123.04411	1.9
125.02379	0.9
125.05994	1.7
127.03902	2.3
137.05949	0.9
138.03113	1.9
140.04672	12.1
142.02592	0.7
153.05455	3.8
155.07013	4.8
171.06526	5.8
181.04944	100.0
182.05345	2.5
189.32973	0.7
199.05998	5.0
325.09152	14.1
326.09317	0.6
343.10364	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1023
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03939	3.2
54.33415	0.3
55.01858	0.9
57.03426	1.8
61.02917	0.6
65.03594	0.5
65.03935	5.9
67.05492	2.4
69.03428	6.7
71.04974	1.5
73.02890	0.8
75.82417	0.3
79.05492	0.7
81.03412	23.2
82.03777	0.4
82.04185	2.1
85.02406	0.7
85.02900	10.8
89.42346	0.3
91.05456	0.4
93.03390	1.4
93.09882	0.3
95.04961	4.5
97.02900	2.6
97.06527	1.4
99.04446	2.6
101.02384	0.7
105.04512	0.7
108.02085	1.1
109.02185	0.6
109.02881	7.9
110.03652	3.2
111.04432	1.5
112.02786	0.3
123.00794	0.4
123.04420	2.5
125.02323	0.8
125.05992	1.8
127.03893	2.1
135.08040	0.3
137.02301	0.4
137.05965	0.5
138.03133	1.9
140.04669	15.9
142.02606	1.1
145.02847	0.4
147.54105	0.4
153.05435	3.6
154.34114	0.3
155.07010	4.3
160.48418	0.4
163.03926	2.0
163.15657	0.3
171.06519	6.4
176.35503	0.3
181.04936	100.0
182.05301	2.7
184.03641	0.5
199.05968	4.1
221.93675	0.4
283.08142	0.7
325.05319	0.8
325.09149	14.6
326.09549	1.0
343.10077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45362	0.4
53.03935	2.1
53.36380	0.6
55.01867	0.7
57.03422	1.2
61.02936	0.7
65.03931	5.1
67.05497	1.6
69.03426	4.4
70.79524	0.9
70.79842	0.5
71.04981	0.5
79.05497	0.6
81.03414	9.9
81.03883	0.7
82.04189	2.0
85.02896	7.0
93.03378	1.6
95.04950	3.1
97.02895	1.7
97.06530	1.6
98.97540	0.7
99.04433	1.7
108.02112	0.9
109.02887	3.2
110.03654	2.4
111.04412	1.2
114.17127	0.5
115.95335	0.5
116.98607	1.0
123.04415	1.7
125.05946	1.6
127.03889	2.1
133.06485	0.8
135.04395	0.8
137.05934	1.2
138.03098	1.3
139.03870	0.7
140.04677	7.7
142.02567	0.7
145.04974	0.6
147.04411	1.2
153.05431	4.1
155.07007	3.3
163.03902	2.0
165.05482	0.8
171.06499	6.1
181.04938	100.0
182.05258	2.8
184.18124	0.6
198.41327	0.5
199.06038	3.2
199.07573	0.6
259.78470	0.5
325.09158	8.4
326.09525	0.6
343.10178	1.4
343.13687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1023
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03929	1.1
55.01861	0.9
57.03448	0.7
61.02922	0.5
65.03937	6.7
67.05515	2.5
68.28619	0.3
69.03426	2.7
69.07091	0.3
71.05008	0.4
73.02906	0.6
79.05486	0.5
81.03421	4.3
82.04181	2.3
83.26091	0.3
85.02904	6.1
93.03389	1.1
95.04955	3.3
97.02883	1.7
97.06525	1.9
99.04442	1.4
102.10448	0.3
103.28578	0.3
105.04546	0.4
108.02104	0.8
109.02898	1.7
110.03653	2.8
111.04430	1.1
123.04400	1.0
125.02377	0.7
125.05966	1.3
127.03880	1.3
138.03111	1.7
139.03885	0.5
140.04671	7.5
142.02602	1.2
153.05434	3.1
155.07047	2.1
162.02229	0.3
171.06503	5.9
181.04944	100.0
182.05266	2.4
184.03641	0.4
199.06036	1.3
206.50212	0.3
283.08368	0.4
325.09225	2.1
343.10162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38537	0.5
55.01858	1.4
66.70966	0.5
67.34303	0.6
69.52403	1.7
70.14297	0.5
95.92475	0.6
97.21239	0.6
104.68143	0.5
128.06224	0.9
129.06984	1.5
131.04913	1.5
134.07253	0.5
141.06982	0.6
141.60872	0.5
143.08488	0.6
145.06473	1.3
152.06157	1.5
153.05438	0.5
153.06927	1.0
155.04880	4.0
157.06477	6.9
158.06955	0.6
159.04367	1.2
165.06973	2.2
166.07803	1.6
167.08545	1.7
169.06479	1.1
171.04311	0.6
171.07974	1.0
173.05962	4.6
177.06891	0.8
178.07768	4.5
179.08479	1.1
181.06415	1.2
181.10077	1.5
184.05176	0.7
185.05984	0.9
185.09576	0.9
186.06615	0.6
190.07759	0.9
191.08554	2.8
193.10062	2.6
195.07990	4.9
197.05991	3.0
197.09669	1.3
199.07587	3.9
201.05379	5.1
202.07799	2.0
203.08492	2.0
205.06514	1.4
207.07965	0.8
209.05943	2.7
209.09540	2.7
211.03780	0.7
211.07472	0.8
212.04666	3.9
213.05431	3.8
213.09113	2.1
214.06189	1.0
219.06392	10.7
219.08107	1.8
220.08749	1.0
221.09616	7.9
222.06732	1.1
223.07529	9.3
225.05447	5.3
225.09035	1.3
226.06201	1.4
227.07011	5.2
227.10654	1.1
228.07309	0.6
233.06001	1.3
234.06741	0.7
237.05443	0.7
237.09061	7.4
239.06883	1.0
239.10611	1.4
240.07787	44.6
241.04953	2.2
241.08519	15.1
242.08922	0.7
247.07640	2.9
248.08264	1.0
249.09055	5.1
251.06990	11.5
254.05704	0.6
255.10153	12.5
256.10455	0.7
265.08539	6.6
266.09320	8.2
267.10028	3.4
268.07257	1.5
269.08063	60.6
270.08389	3.1
275.06903	0.8
283.09613	100.0
284.09967	4.9
293.07980	2.1
295.13336	0.7
311.09100	23.9
311.12729	1.2
312.09424	0.9
329.10184	7.4
343.11810	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	343.1176
Annotation	UWM6
Peak:m/z	Relative Intensity
51.95134	3.5
62.64091	3.9
62.91937	3.6
69.20773	22.7
85.22868	3.5
85.68420	4.0
135.04361	4.6
137.05978	4.5
149.04501	3.5
163.03912	7.7
178.07741	7.6
179.08574	5.8
180.52982	3.5
181.04970	7.9
183.80229	3.9
191.08604	5.0
192.09314	4.8
207.11644	12.1
208.31749	3.9
219.07994	5.4
220.08759	4.1
234.06717	13.4
235.07539	7.5
238.10001	6.9
247.07545	3.7
248.08296	5.2
251.10707	15.1
263.10654	47.5
267.06909	4.1
279.10236	6.4
281.11798	17.8
297.11212	9.2
307.09714	18.2
325.10699	100.0
326.11038	6.4
343.07990	5.9
343.11670	5.8
343.15335	6.4
344.11096	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	343.1176
Annotation	UWM6
Peak:m/z	Relative Intensity
55.80616	2.4
57.27844	2.4
63.38397	2.4
69.64703	9.5
81.38049	2.7
91.54897	2.6
95.04956	3.7
100.07655	3.0
106.35773	2.3
107.38313	2.7
123.04414	9.6
153.05453	21.3
154.05814	4.3
163.03891	13.7
164.04285	5.5
166.07440	2.6
178.07750	9.5
179.08493	7.9
181.04926	11.3
191.03357	18.4
191.08592	3.8
192.09325	10.4
193.10020	4.4
195.08006	4.4
205.06555	3.1
207.11684	6.9
219.08221	2.8
223.07448	6.2
234.06822	13.0
235.07481	10.3
235.11307	3.2
237.09262	3.5
238.09872	9.4
248.08333	4.4
251.10666	10.5
258.85919	3.5
261.09171	4.1
263.10648	58.8
264.10895	3.0
281.11694	11.8
283.05820	3.4
288.76813	2.6
297.11301	3.4
307.09402	18.2
315.10715	3.1
325.10754	100.0
326.10983	6.5
343.08209	17.0
344.11310	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01855	0.9
65.03933	3.6
69.03428	4.3
70.06616	0.7
78.94302	0.6
79.05483	0.9
81.03407	9.6
81.07042	0.8
82.04160	0.9
85.02885	4.2
91.05457	1.5
95.04967	2.0
97.02890	1.4
99.04452	1.6
99.21719	0.7
107.04937	1.0
109.02869	3.4
109.06516	0.9
110.03659	1.3
115.05495	0.9
117.03397	0.8
117.15720	0.8
123.04433	3.3
125.05951	1.3
127.03937	1.7
131.04901	0.7
137.05968	13.4
137.81500	0.8
138.03085	1.0
140.04688	4.6
145.02806	1.7
145.06570	0.9
146.03494	0.8
147.04396	1.3
149.06018	0.7
153.05476	2.5
155.07022	2.1
161.05977	2.7
162.06804	0.9
163.03882	0.8
163.07539	1.3
168.03986	0.7
171.06554	3.5
175.07585	1.4
177.05475	3.0
181.04941	53.1
182.05467	1.3
197.08049	3.8
199.06050	1.8
208.98903	1.0
212.98404	0.7
213.06667	6.2
227.00031	1.4
251.06863	0.8
254.99426	1.3
263.06903	0.7
269.05637	2.3
278.99362	1.6
279.06458	1.1
293.11542	0.8
297.07095	2.0
297.11090	1.2
299.12753	1.0
311.12802	2.3
325.08884	5.0
325.12018	2.1
343.12952	100.0
344.13235	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	343.1539
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
51.23952	0.7
53.03935	0.9
55.01853	2.3
55.05477	0.7
65.03922	2.8
67.05489	1.2
67.94693	0.7
69.03434	3.7
70.24682	0.8
70.33210	1.2
75.91055	0.6
79.05482	5.7
81.03411	6.6
81.07034	0.7
82.04191	1.4
85.02906	5.1
89.03889	0.8
91.05465	10.7
93.03399	1.0
93.07008	0.7
94.04193	1.0
95.04515	0.6
95.04977	5.8
97.02877	0.8
97.06534	1.2
99.04436	1.7
102.04674	3.0
102.49223	0.7
103.05468	10.8
105.03386	2.0
105.04472	1.3
105.07027	8.1
105.41432	0.7
106.04144	2.9
107.04249	1.2
107.04945	19.0
109.02934	3.3
109.03532	0.7
109.06496	1.9
110.03659	0.8
111.04377	0.8
115.05434	10.3
117.03396	1.1
117.07017	3.9
119.04910	2.0
121.06480	2.7
122.03626	2.6
122.07273	5.9
123.04367	1.4
124.05263	0.8
125.05989	1.1
127.03851	1.4
129.06958	1.2
130.04117	5.0
131.04909	11.0
132.05765	0.7
133.06458	3.7
135.04355	1.5
135.08026	2.6
136.05231	0.7
137.04938	1.5
137.05969	26.3
140.04660	5.9
141.06992	4.1
143.04872	0.9
144.05760	0.9
145.06442	3.3
146.03612	5.3
147.04419	6.4
147.08038	2.3
148.08795	2.5
149.05974	5.7
151.03879	1.8
151.07532	5.4
153.05455	1.9
155.07025	2.5
158.07245	2.1
159.08086	1.2
160.05135	1.4
161.05969	31.0
162.06735	9.0
163.07530	18.9
165.06989	3.5
166.07750	1.7
169.06497	5.2
171.06535	1.4
171.07921	0.8
173.05891	1.2
173.09573	2.4
174.06804	1.7
175.07538	24.4
175.09058	1.2
177.05489	1.5
177.06940	1.8
177.09129	4.3
178.07774	2.4
179.08481	4.1
181.04956	45.4
181.06447	2.8
181.08412	3.7
181.09985	0.9
182.05341	1.9
186.06757	1.2
187.07492	2.6
189.06978	2.1
189.08896	0.6
190.07747	4.3
191.08546	1.9
193.06525	1.2
193.08536	1.3
193.10152	0.9
194.07286	6.3
195.08032	3.3
196.08743	0.8
199.06036	2.1
201.09071	5.1
202.07727	0.9
203.08553	2.9
204.09311	1.5
205.06552	3.3
205.10123	7.5
206.07373	1.1
207.08040	6.5
209.05977	1.6
209.09615	3.3
211.07518	3.0
215.08633	3.5
218.07245	6.0
219.08032	2.7
219.10161	9.9
221.05971	4.6
221.09615	2.4
222.06750	5.8
222.10339	1.9
223.07475	2.7
224.08276	3.5
225.08986	1.9
232.08757	1.9
233.05920	3.0
233.09608	13.8
234.06682	3.1
234.10260	3.3
235.07547	7.3
236.08315	3.0
237.05540	3.6
237.09105	8.1
237.12694	1.1
238.09776	0.9
239.06898	4.0
239.10619	2.1
240.07675	1.1
241.08612	2.5
246.06700	0.8
247.07559	1.7
249.05470	1.3
249.09117	2.5
250.06207	5.3
250.09882	5.7
251.07103	4.9
251.10648	2.9
252.07742	2.5
253.08600	3.8
254.09334	2.9
261.09045	10.7
262.09796	2.9
263.07080	3.1
263.10019	0.8
264.07678	2.1
265.08582	15.4
265.12204	9.9
266.09293	2.6
267.07034	1.0
267.10135	6.8
268.10822	1.2
269.08084	9.8
277.08621	2.7
278.09457	4.0
279.10162	2.2
281.07864	2.1
281.11551	1.6
282.08920	7.8
283.09354	1.4
283.13290	2.4
284.10373	9.2
285.78098	0.7
293.11682	21.7
294.12344	4.0
295.09760	3.3
296.10403	1.8
297.11230	48.1
297.14813	3.8
298.11368	3.7
299.12735	14.8
310.12009	7.9
311.12741	100.0
312.13156	6.9
325.09326	5.2
325.14328	31.5
326.14658	2.1
343.11884	1.6
343.15375	46.2
344.11642	1.2
344.15729	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68560	1.6
55.94707	1.6
67.05505	2.1
71.04985	1.7
72.01588	1.4
79.05515	1.4
81.07037	3.0
91.05481	2.0
95.08585	1.7
107.08540	1.8
115.32022	1.4
132.94475	1.9
153.05356	2.6
161.05824	1.8
179.08543	2.4
189.06999	2.2
191.08488	2.6
195.19998	1.7
202.07841	4.1
203.08501	5.7
204.09311	37.7
205.09856	2.2
206.07237	3.8
217.10046	2.6
219.08113	3.6
219.11658	49.1
220.12015	3.6
224.08246	8.1
229.10100	5.8
232.08791	21.0
233.09196	2.6
235.11037	3.5
237.08940	3.9
237.12685	5.7
247.11153	76.8
248.11523	4.8
250.10023	2.0
257.10641	1.9
265.12216	100.0
266.12601	5.8
267.13785	2.7
283.13217	32.0
283.16046	2.8
313.06946	5.3
313.14511	2.0
315.15912	2.7
343.11765	6.0
343.15451	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	343.1539
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
50.71167	1.2
54.56945	1.3
55.01875	1.4
55.19963	1.1
65.03938	1.4
67.05494	1.8
69.03419	2.4
69.07066	2.1
79.05479	4.2
81.03418	1.8
81.07040	4.1
85.02894	2.1
89.03867	1.3
91.05484	4.2
93.07057	1.9
94.04171	1.4
95.04951	2.5
95.08590	1.9
98.23499	2.7
103.05466	14.8
105.07018	21.4
107.04945	5.3
107.08576	2.1
109.06485	3.3
114.30564	1.3
115.05437	10.0
116.42561	1.2
117.06985	1.2
119.04903	1.3
119.08638	1.5
122.03644	2.5
123.08086	1.6
123.11705	1.8
129.07047	2.0
131.04918	12.1
133.06485	11.6
135.04408	1.9
137.05965	27.3
140.04681	1.8
141.06995	2.8
142.06012	1.1
143.06049	1.9
145.02815	1.4
146.03609	14.4
147.04372	2.5
147.08063	1.4
148.32712	1.5
149.05936	2.2
150.77641	1.2
151.07547	4.7
153.06918	2.2
158.07240	1.4
159.08051	1.9
160.05124	2.7
161.05968	100.0
162.06418	4.2
163.03935	7.1
163.07530	18.1
165.07002	4.7
166.07764	3.7
169.06418	3.3
175.07532	48.9
176.07942	2.2
177.05508	1.7
177.06999	2.7
177.09134	2.2
178.07773	2.6
179.08490	7.1
181.04944	9.6
181.06493	4.7
189.07021	2.8
190.07813	7.5
191.08601	2.6
193.06485	1.8
194.07278	11.5
195.07993	4.2
196.08836	1.3
201.09103	3.6
202.07736	2.4
203.08629	3.7
204.09320	2.3
205.06471	8.0
205.10104	10.2
207.08025	11.9
208.08716	1.9
209.05927	2.1
209.09621	3.3
211.07481	2.0
215.08553	3.3
218.07201	5.8
219.08015	3.3
221.05971	10.5
221.09605	4.2
222.06729	12.8
222.10349	2.6
223.07465	4.8
224.08241	7.2
225.08876	1.8
232.08867	3.9
233.05927	3.6
233.09541	16.0
234.06709	4.7
234.10413	4.2
235.07523	12.9
236.08305	7.6
237.05438	5.0
237.09088	18.5
238.05997	1.8
238.09674	1.4
239.06888	1.8
239.10727	4.3
241.08595	2.4
243.08141	1.3
247.07454	3.3
249.05504	3.0
249.09029	3.3
250.06221	14.6
250.09868	10.1
251.07008	5.0
251.10600	1.4
252.07814	6.6
253.08466	3.6
261.09064	13.2
262.09814	4.1
263.06970	5.4
264.07794	7.6
264.11194	1.4
265.08597	43.0
265.12106	6.1
266.09113	3.9
267.07489	1.8
267.10135	12.4
268.10669	1.5
269.08008	6.1
277.08630	4.1
278.09366	10.0
279.10046	4.5
281.07977	2.0
282.08737	3.5
283.13287	3.4
284.10422	4.2
293.11734	25.4
294.12234	2.1
295.09622	4.3
297.11218	18.3
297.14532	2.3
299.12643	8.4
310.11932	3.7
311.12732	85.5
312.13083	6.9
325.14240	10.6
343.15372	42.3
344.15872	2.2
349.58835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56644	1.4
60.65816	1.1
60.92501	1.2
69.15581	8.6
83.13132	1.2
87.65345	1.4
99.73033	1.2
163.07539	1.4
167.08394	1.5
179.08533	4.4
189.07018	2.8
190.07799	2.1
191.08568	4.9
194.10928	2.7
195.08032	2.9
202.07698	3.1
203.08557	9.9
204.09334	49.0
205.09908	3.3
206.07375	2.5
207.08000	2.4
209.13263	3.3
217.10153	3.7
219.08073	5.8
219.11671	61.7
220.11960	5.0
224.08296	8.6
229.10124	8.3
232.08795	23.3
233.09209	2.3
235.11166	3.8
237.09032	3.8
237.12752	5.9
247.11169	90.3
248.11606	4.0
250.09880	4.2
265.12219	100.0
266.12585	5.2
275.48264	1.4
283.13269	39.9
284.13675	3.0
297.14713	1.5
315.15741	3.8
343.11694	2.8
343.15338	5.8
343.22266	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
55.01857	1.2
57.03408	0.6
67.05483	0.9
69.19841	3.7
79.05464	2.2
81.03398	0.9
89.03908	0.9
91.05476	2.4
94.04211	0.7
95.04944	2.1
103.05453	8.4
105.07014	12.5
107.04921	3.1
109.06490	2.4
114.09187	1.7
115.05437	5.7
117.03323	1.0
117.06997	1.5
118.04108	1.1
119.08524	0.9
121.06486	0.9
122.03647	1.3
123.04387	3.8
129.06975	0.9
131.04915	8.4
133.06476	10.8
135.04395	2.0
137.05963	18.4
141.06984	2.6
143.04916	1.0
145.06412	0.9
146.03615	8.5
149.05968	1.9
151.07516	5.3
153.05450	6.6
153.06583	0.9
160.05179	1.6
161.05960	100.0
162.06383	3.0
163.03908	7.7
163.07526	12.5
165.05655	0.8
165.06995	2.7
166.07788	2.6
167.08487	0.9
168.05724	0.8
168.09396	0.7
169.06461	1.9
175.07529	43.7
176.06264	1.1
176.07831	1.3
177.05502	1.0
177.06999	1.9
177.09058	1.2
178.07791	2.6
179.08493	4.2
181.04919	5.4
181.06479	2.6
183.89673	0.7
189.07011	1.6
190.07785	4.4
191.03377	2.0
191.08577	2.1
192.06616	0.9
193.06465	1.3
193.10112	0.9
194.07249	6.2
194.10898	0.7
195.08011	2.4
196.08734	0.8
197.61179	0.7
201.08981	1.7
202.07828	0.7
203.08575	2.3
204.09312	1.3
205.06470	5.0
205.10057	6.9
206.07239	2.0
207.07990	8.0
208.08760	1.6
209.05972	2.0
209.09543	3.7
210.06792	0.8
211.07454	1.3
215.08591	3.1
218.07317	3.3
219.07997	3.2
219.10043	1.6
220.05122	1.0
221.05943	6.7
221.09625	2.8
222.06737	8.6
222.10330	1.7
223.07486	4.8
224.08319	5.3
225.09087	1.7
231.08037	1.1
232.08737	3.9
233.05931	2.8
233.09563	11.1
234.06744	3.7
234.10333	3.2
235.07495	10.1
236.04688	1.0
236.08281	3.7
237.05447	3.4
237.09070	10.4
238.06123	1.3
238.09772	1.3
239.07086	1.2
239.10626	3.8
240.07840	1.0
241.08592	1.0
246.06781	1.0
247.07556	2.8
247.10997	1.0
249.05424	2.1
249.09171	4.8
250.06247	8.9
250.09827	6.2
251.07007	5.0
251.10606	1.8
252.07759	5.5
253.08502	2.7
260.08231	1.5
261.09106	11.1
262.09747	3.0
263.06989	6.6
264.07773	5.5
265.08582	39.5
265.12125	5.5
266.09067	3.3
267.07111	1.1
267.10141	8.5
268.10748	0.9
269.08026	4.2
275.10580	0.8
277.08585	1.4
278.09351	9.3
279.07242	0.7
279.09985	3.5
280.10733	0.8
281.08145	2.5
282.08807	1.5
283.10123	1.0
283.13181	4.2
284.10388	3.0
293.11676	19.0
294.12195	1.9
295.09650	2.6
296.10376	1.8
297.11188	14.6
297.14490	1.1
298.11560	0.9
299.12665	7.1
310.12061	2.2
311.12729	88.6
312.13113	6.4
321.44778	0.7
325.14304	7.8
328.12897	0.9
329.08768	1.0
343.08508	1.6
343.15359	43.9
344.11264	2.8
344.15714	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	343.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01872	2.3
55.05493	1.1
57.03427	3.8
57.07090	1.9
61.02928	5.2
65.03938	3.3
67.05507	2.4
67.82495	0.7
69.03422	18.5
69.07081	1.3
70.24394	0.8
71.04993	2.8
71.16297	0.9
71.37767	0.9
72.08133	0.8
73.02907	2.3
79.05477	4.6
81.03412	13.0
81.07045	7.1
82.04191	1.1
83.04974	5.8
85.02895	40.3
85.06535	1.2
87.04476	2.2
87.34286	0.7
91.03942	3.1
91.05474	4.9
92.99254	0.8
93.03408	1.0
93.07025	7.6
94.16812	0.7
95.04958	17.9
95.05538	1.3
95.08581	2.0
97.02876	12.6
97.06550	3.8
99.04453	2.4
103.03939	1.4
105.07030	6.9
107.04978	1.7
107.08582	9.9
109.02843	6.4
109.06507	2.2
110.03725	0.9
115.05456	1.1
117.07014	3.4
117.72227	0.7
119.04914	1.1
119.08567	4.9
121.06512	3.6
121.10114	8.8
123.04385	1.0
123.08087	1.1
125.05970	11.8
127.03899	8.9
129.06978	1.2
130.07771	2.7
133.06467	1.0
135.08063	1.8
135.11661	6.8
137.05971	4.0
138.03116	1.2
139.06442	0.9
140.04655	8.6
143.08542	1.1
145.04939	8.6
145.10101	15.5
146.09384	0.8
146.10437	1.5
147.04355	1.4
147.08015	1.2
148.08737	1.1
149.05988	1.0
153.05452	2.9
155.07034	3.7
163.03883	2.3
163.11162	100.0
164.11533	3.1
165.09077	1.2
171.06528	3.5
181.04936	61.2
181.12193	22.5
182.05324	2.2
182.12566	1.1
193.12279	0.8
199.06004	2.4
203.05301	1.4
205.12175	1.1
223.13293	1.4
233.05972	1.4
265.08569	1.4
293.08078	1.7
307.09525	1.5
307.15390	1.3
325.09027	7.4
343.13730	12.1
343.17563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2243
Annotation	E-64d
Peak:m/z	Relative Intensity
69.76888	1.0
69.77281	1.2
78.55817	0.6
79.05502	0.5
91.30932	0.5
98.23421	0.7
98.40921	0.7
114.47255	0.6
121.40804	0.6
136.74203	0.6
165.07016	0.7
177.75604	0.6
197.05962	0.7
204.09352	3.1
219.11679	4.5
232.08810	1.2
237.13054	0.6
247.11162	7.1
265.12213	7.8
267.13766	1.8
283.13293	2.5
285.45789	0.7
311.12735	0.7
343.15460	2.4
343.22418	100.0
344.22589	6.1
344.25952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74089	0.4
55.55557	0.4
57.07048	0.4
69.07081	0.4
69.78445	1.3
86.61508	0.4
88.02178	0.5
88.07622	0.6
90.34421	0.4
102.41441	0.4
122.45193	0.4
171.36424	0.4
185.09550	0.5
197.08051	0.6
238.74747	0.4
240.23227	1.0
257.11740	0.5
275.41153	0.4
281.07925	0.5
281.15311	0.5
282.08884	0.5
283.16077	1.6
299.09161	0.7
302.08701	1.2
313.06979	2.0
343.09006	28.8
343.22397	100.0
344.09473	3.3
344.22714	7.2
344.35233	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2242
Annotation	E-64d
Peak:m/z	Relative Intensity
50.42558	1.0
51.09783	1.0
52.74727	1.0
53.66060	1.0
55.05493	1.3
57.07075	2.1
70.06576	1.3
71.43826	1.0
88.07629	3.6
121.47477	1.1
185.09604	2.5
204.54297	1.1
212.21158	1.2
240.23221	3.0
273.07660	4.7
282.08929	1.7
283.26312	1.5
297.07712	1.6
299.09134	1.5
313.06992	2.9
343.11624	6.4
343.22406	100.0
344.22641	7.9
352.47696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.01860	7.9
55.05495	19.7
57.07067	14.3
59.04976	6.6
60.08982	6.7
62.64430	5.8
63.14061	5.0
63.34528	5.7
64.17841	5.8
67.05499	25.0
69.03434	10.3
69.07059	7.3
69.15112	5.4
70.59404	4.7
70.64916	9.1
70.65244	7.3
71.04985	25.8
79.05483	24.0
80.33014	5.3
80.37784	5.3
81.03429	6.2
81.07043	36.8
83.04993	10.7
85.06536	6.9
91.05464	29.5
92.66548	5.0
93.07039	69.5
95.04961	64.2
95.08601	92.4
97.06517	15.6
103.05475	7.0
105.07018	93.2
107.08580	57.9
109.06510	14.7
117.07009	20.6
117.29872	5.9
119.08550	39.5
121.06494	19.4
121.10143	18.8
123.08057	26.3
129.06976	7.7
130.07751	14.2
131.08534	16.4
133.06549	8.6
133.10097	15.5
135.08047	31.7
135.11670	24.4
137.09627	10.1
142.07819	6.5
143.08514	9.8
144.36584	6.8
145.10118	100.0
147.08060	14.4
149.09575	7.2
151.07524	48.6
157.10141	9.0
159.11635	8.9
161.09651	9.6
161.13284	9.7
163.11177	69.4
165.09082	25.5
169.10071	8.1
186.62038	6.4
189.12686	14.3
201.79224	5.5
203.14175	7.6
207.13780	11.1
215.14162	7.1
221.15358	26.3
240.23271	12.5
241.53964	6.0
263.16373	13.3
285.18277	6.8
299.09009	8.0
302.08670	26.7
313.07156	17.0
325.21512	7.1
343.11542	41.9
343.22604	81.0
344.31592	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37563	2.9
65.03919	4.9
66.29121	2.9
69.03416	7.0
70.06583	5.6
71.43668	3.1
72.08140	3.6
74.65903	3.2
81.03391	9.5
84.08120	5.4
85.02895	13.2
86.09739	3.7
89.06035	36.9
91.05459	11.9
109.02905	4.2
110.22444	3.1
119.04908	24.2
133.08571	21.5
137.06001	4.5
140.04662	3.5
147.04401	100.0
148.04666	3.8
149.96317	3.1
158.97195	3.0
163.03879	5.8
165.05492	41.1
181.04933	29.7
182.05313	40.3
191.07025	3.4
231.95778	3.7
301.12531	6.9
326.09320	5.5
327.20132	13.7
345.11423	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64494	0.8
57.03436	1.4
61.02931	1.7
65.03950	0.9
69.03427	3.0
70.06618	0.8
70.91933	1.2
71.36588	0.8
81.03416	1.2
85.02902	18.1
88.52119	0.9
91.05460	4.6
95.04946	1.0
95.40708	1.0
97.02892	3.5
109.02888	1.5
119.04930	18.2
123.04407	2.1
127.03922	3.5
145.04924	2.4
147.04396	100.0
148.04732	3.0
165.05460	42.7
166.05789	0.9
180.08765	1.3
181.05060	1.7
182.05324	3.6
205.16930	0.8
345.11398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
53.13616	0.5
55.01855	0.7
56.10828	0.5
57.03422	1.0
61.02915	1.5
65.03943	0.7
69.03431	3.8
69.85699	1.2
70.06577	1.3
72.08141	1.1
73.02914	0.5
75.21743	0.5
81.03410	2.5
85.02902	18.9
86.06049	0.5
86.09705	1.4
87.04407	0.6
89.06011	1.0
89.07143	2.2
91.03948	0.7
91.05476	4.9
95.04969	1.1
97.02892	3.9
98.23411	1.0
99.04457	1.0
102.39082	0.5
109.02863	2.1
116.07069	0.9
119.04938	17.9
120.05285	0.8
122.29133	0.5
123.04417	3.2
126.01094	0.7
127.03915	4.1
133.02867	0.6
137.05945	1.6
138.71524	0.5
138.72905	0.4
145.04945	3.9
147.04398	100.0
148.04774	3.0
151.03914	1.1
160.24716	0.4
161.05969	0.6
163.03938	0.7
163.06023	0.6
165.05470	49.8
166.05803	1.6
175.07608	0.7
180.08672	1.8
181.04936	1.7
182.05330	2.5
203.07036	1.1
205.06946	0.6
207.25018	0.6
227.08678	0.6
244.15854	0.5
249.07634	1.5
274.61160	0.6
344.13794	1.1
344.20178	0.6
345.11530	1.9
345.15176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
55.11102	2.2
57.07072	7.9
65.66068	2.5
69.09010	18.0
70.06588	28.0
71.04977	5.2
71.08633	5.2
81.07050	2.7
83.08616	2.3
88.07623	100.0
95.08603	4.0
98.22603	3.8
104.99249	15.3
105.07060	2.3
106.08644	19.8
109.10136	3.0
144.07086	2.8
155.08516	3.3
155.79668	2.2
157.10178	2.3
159.11682	2.9
171.08043	4.4
182.07368	2.7
183.08038	21.8
184.05183	4.8
185.13380	2.3
198.06775	19.1
199.07521	39.3
211.07559	3.8
212.08324	2.5
225.12743	16.5
227.10654	99.4
228.10999	5.8
229.12196	11.2
241.12198	18.0
253.12230	6.4
253.15836	3.1
262.98145	9.3
267.21036	2.8
271.13266	6.5
281.15378	7.1
283.26257	32.2
295.16855	5.5
299.16183	2.8
313.17880	19.3
331.79614	2.5
344.12411	2.6
344.22311	4.8
344.25934	23.2
344.31528	35.8
344.35257	9.9
345.14468	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	345.0967
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
69.98309	0.8
69.98618	0.5
84.81451	0.4
104.99269	4.0
108.02116	0.5
110.30949	0.5
119.08546	0.4
121.02833	4.3
123.23930	0.4
131.04980	0.7
135.04378	0.4
147.04401	0.7
153.01790	0.5
154.02573	0.4
157.06543	0.5
183.02870	0.4
185.05986	0.8
187.03853	1.4
187.20723	0.4
191.03485	0.4
192.30893	0.4
193.01367	0.5
199.03937	0.5
199.07561	0.9
212.04678	1.0
213.05437	1.1
227.06967	0.7
231.06552	0.8
233.04582	0.4
239.07140	0.5
241.04942	5.6
244.03598	2.7
254.05779	1.7
255.06520	3.4
256.07205	0.5
259.06168	0.5
262.98114	2.0
266.05783	0.8
267.06494	3.4
269.04416	18.0
270.04953	0.9
272.03110	2.1
281.04401	0.6
282.05151	0.7
283.05978	6.7
284.06747	6.4
286.04602	0.7
287.05469	18.4
288.05905	0.7
295.05954	6.8
296.06326	0.6
297.03937	0.6
299.05396	0.5
300.06143	0.4
301.07004	1.3
311.05475	11.2
312.06241	18.5
313.06693	1.4
314.04205	1.3
315.04929	2.7
329.06512	17.7
330.07214	6.5
331.07794	0.6
344.22360	2.7
344.25980	1.3
345.09653	100.0
345.23083	1.5
346.09985	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	345.1153
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
60.60128	0.6
64.23469	0.6
70.54807	1.5
73.74715	0.6
75.52805	0.7
76.96313	0.6
86.70699	0.7
103.71526	0.6
112.24076	0.6
119.01924	1.0
127.00030	0.6
131.04900	0.9
135.59570	0.6
137.05954	0.9
142.03242	1.3
147.42621	0.7
151.03842	0.9
160.32434	0.6
161.34209	0.6
161.35582	0.7
167.01620	0.7
167.03073	0.7
170.04190	1.5
191.06978	3.1
219.16736	0.9
227.05159	1.2
259.11478	3.7
271.04263	2.9
283.11621	0.7
295.09540	0.9
301.12534	17.7
313.10684	4.6
345.11499	100.0
346.08298	1.3
346.11920	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	345.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15412	0.9
50.36416	0.9
55.00497	1.1
70.15356	0.9
85.02901	1.7
98.97584	1.9
103.14082	0.9
137.05983	1.8
163.07524	0.9
181.04843	1.5
183.11377	1.4
197.09637	0.9
204.06546	1.8
259.11493	2.5
271.04160	1.8
301.12503	16.1
302.12976	1.1
345.11526	100.0
346.12039	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88412	0.7
55.05255	1.5
55.05509	20.1
58.99577	7.3
61.01154	1.3
63.64990	1.0
64.99172	0.7
68.05035	1.7
69.17399	1.7
69.17811	3.4
76.04002	1.3
80.05012	18.5
80.05472	1.4
81.03421	0.8
81.07052	1.8
83.08611	13.7
84.04498	5.2
86.06066	1.4
86.99061	3.5
88.02209	1.1
88.27692	0.7
88.53047	0.8
96.04498	1.8
108.04468	3.9
114.03750	14.2
116.01679	15.5
116.02454	1.2
124.46074	0.8
124.99740	0.9
130.99799	0.8
131.05038	1.0
136.03931	3.2
137.06052	0.9
142.03212	100.0
143.03537	2.5
144.01128	5.5
144.04831	1.5
159.08374	14.8
162.02187	19.3
170.02698	37.0
193.06148	0.8
199.05379	6.4
227.04912	5.3
242.12094	4.6
245.05899	17.6
252.10841	0.7
262.11053	4.6
265.92661	0.8
270.11670	2.3
345.06073	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	345.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05256	1.4
55.05510	19.9
58.99572	5.7
61.01142	1.2
68.01803	0.8
68.05023	1.2
76.04008	0.7
80.05013	16.7
81.07056	1.5
82.06512	0.7
83.08611	11.9
84.04491	5.7
86.00651	0.8
86.06039	1.0
86.99040	5.0
88.02220	1.2
96.04488	2.4
99.02689	1.1
108.04498	3.6
114.03751	14.5
116.01668	17.7
121.74682	0.7
126.05505	1.1
136.03920	3.4
137.06017	0.9
139.05730	2.1
142.03212	100.0
143.01930	0.8
143.03506	1.4
144.01147	5.8
144.04778	1.1
159.08372	15.8
162.02184	19.2
163.03909	2.2
164.04228	1.4
165.04427	1.4
167.05244	0.9
170.02701	35.8
181.69141	0.7
188.04034	0.7
188.43015	0.7
199.05380	4.8
211.07240	1.3
227.04860	4.8
242.12090	2.9
245.05907	17.0
246.06277	0.7
252.10516	1.0
262.11081	4.7
270.11679	2.4
308.77139	0.9
327.13852	1.1
345.14539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	0.8
64.86366	0.6
67.12714	0.8
69.03419	0.7
69.74431	1.9
70.06570	1.3
70.80177	0.7
72.08141	2.3
85.02898	1.0
86.09694	0.9
104.99238	1.2
119.04918	1.1
137.05962	4.5
147.04391	2.4
148.04726	2.7
163.05977	0.9
165.08824	1.2
166.05786	1.0
183.09880	0.7
183.11287	2.3
203.05356	1.0
210.44617	0.6
223.93593	0.6
262.98096	1.3
279.07529	0.8
287.10925	22.1
288.11328	1.0
327.13797	1.2
334.52271	0.7
345.15152	100.0
346.15521	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	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60360	1.2
62.30495	1.2
63.68370	1.1
67.05473	1.3
69.20283	2.6
69.20702	5.2
72.08133	2.8
79.05478	3.6
86.09718	1.3
88.77957	1.3
91.05454	4.5
93.07014	1.6
94.04178	5.1
95.04962	2.0
98.22643	2.3
103.05444	11.1
105.07012	7.6
107.04953	1.5
117.07039	2.8
119.04903	1.5
119.08520	1.5
121.06514	3.2
122.03638	12.7
123.07983	1.4
128.06210	1.7
129.06967	1.9
131.04918	14.3
133.06476	18.2
135.08046	7.8
137.05960	100.0
138.06322	2.2
145.06479	3.7
147.08015	1.6
151.03839	2.2
151.07549	7.3
163.07526	32.6
171.07933	1.5
175.07564	1.5
177.09079	12.5
189.09087	1.6
195.10229	1.9
203.10686	2.1
241.08554	1.7
267.10138	1.3
299.09338	1.8
327.12134	2.2
345.12997	2.0
345.21442	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	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07039	1.0
69.85130	0.6
70.70776	1.2
73.30711	0.5
79.05474	1.9
81.07040	2.4
91.05455	2.7
93.07040	0.6
94.04187	4.1
95.04966	0.9
95.08581	1.4
97.88597	0.6
103.05452	10.0
105.07019	5.5
105.07673	0.9
107.04915	1.3
107.08638	0.6
109.06508	1.6
114.16996	0.6
115.05424	0.9
117.06960	1.2
121.06480	2.5
122.03623	10.1
128.06213	0.9
129.07022	0.7
131.04915	10.2
133.06479	17.9
135.04393	0.8
135.08063	8.0
137.05963	100.0
138.06340	2.8
143.08543	0.7
145.06483	3.2
147.04332	0.6
147.08014	0.8
151.07523	3.9
157.06444	1.3
163.03812	0.8
163.07520	25.8
164.07979	1.0
171.08070	1.0
175.07581	0.9
177.09019	0.6
188.11226	0.7
189.09071	1.4
203.10732	1.1
235.11290	0.9
242.33377	0.6
245.09572	0.6
263.10583	1.2
295.13293	2.1
296.50021	0.6
325.92236	0.6
356.03650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45188	0.5
54.08971	0.5
69.23183	1.2
69.23592	2.1
95.60894	0.5
95.68768	0.5
104.99253	5.8
109.10161	0.7
118.74538	0.4
119.23708	0.5
123.72078	0.5
139.80241	0.5
145.07390	0.5
228.61609	0.5
262.98157	3.3
345.23965	100.0
346.24240	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2398
Annotation	Testosterone_Propionate
Peak:m/z	Relative Intensity
57.07069	0.5
70.06580	0.5
70.11450	0.6
70.11813	0.4
88.07590	0.6
104.99274	0.9
132.10214	0.8
136.56078	0.3
150.11211	0.6
191.10410	12.2
192.10773	0.6
205.11978	11.7
206.12216	0.3
210.52191	0.2
262.00519	0.3
262.98056	0.7
284.29337	0.4
345.23959	100.0
346.24319	6.4
346.33130	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	345.2399
Annotation	Testosterone_Propionate
Peak:m/z	Relative Intensity
57.04071	0.3
57.07059	0.9
61.94275	0.3
70.06615	1.6
70.08885	0.6
70.09254	0.6
71.81721	0.3
75.54008	0.3
78.27254	0.4
79.62058	0.3
85.77364	0.3
88.07640	2.0
98.22792	0.3
102.09186	0.9
104.99243	1.1
130.08055	0.3
133.57101	0.3
171.17575	0.3
205.11967	0.9
221.11455	19.4
221.99074	0.3
222.11760	1.2
262.98141	0.7
284.23419	0.3
284.29465	3.2
345.23962	100.0
346.24338	6.5
346.33081	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	345.2633
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.03946	3.3
55.01866	3.0
55.05508	86.7
57.03437	32.2
57.07079	9.4
59.04994	1.6
65.03943	1.8
67.05501	76.6
67.77993	1.9
68.08301	2.1
69.07063	84.8
71.04993	9.6
71.08649	2.9
79.05486	35.2
79.77276	2.1
81.07055	100.0
83.05000	6.7
83.08613	49.1
85.06538	7.0
91.05470	22.2
93.07042	33.6
95.04978	4.7
95.08603	85.7
95.85641	1.9
97.06516	10.6
97.10161	34.3
99.08092	6.4
101.06026	2.9
105.07018	17.3
107.04974	2.0
107.08572	23.0
108.65878	1.8
109.10150	43.3
111.08092	6.2
111.11697	9.7
119.08580	11.7
121.10143	27.7
123.08047	4.1
123.11706	11.7
125.09645	5.5
125.13270	3.7
133.10118	14.5
135.11688	26.9
137.09637	4.4
137.13272	6.3
139.11182	3.6
147.11696	7.7
149.13301	4.4
151.11151	4.1
151.14743	4.7
153.05457	3.7
153.12737	5.0
154.05806	2.9
161.13286	10.2
163.03925	2.1
163.14822	1.8
165.12743	4.2
167.50259	1.9
173.11749	4.5
175.14850	5.0
179.14302	3.2
191.03442	5.0
192.03696	3.2
193.03996	3.2
200.85707	1.8
204.77657	1.8
217.19522	15.0
228.69220	1.9
235.20598	16.6
241.99318	2.1
253.21712	8.5
309.24203	10.2
327.25284	46.6
345.26373	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.092
Annotation	Triflumizole
Peak:m/z	Relative Intensity
50.71388	0.5
52.79778	0.4
54.15303	0.5
65.03925	1.1
67.05493	0.8
68.99771	0.9
69.17907	2.9
77.03911	0.9
82.04195	0.7
82.43920	0.4
83.04961	0.7
90.03427	0.8
94.06598	0.5
95.01315	0.7
95.04968	12.4
97.33720	0.6
105.04477	0.5
107.03685	1.2
110.06037	4.0
119.01278	0.9
122.06005	1.5
123.04436	7.4
125.02354	0.6
126.03095	1.6
133.02841	1.7
135.03152	11.9
135.04309	0.8
136.01544	2.3
138.05482	5.3
139.03906	1.9
140.04718	0.8
141.05446	2.9
148.03922	3.2
150.01932	3.6
150.03026	0.8
150.05518	4.1
151.02676	0.5
151.03893	8.8
152.04669	1.8
153.05487	1.6
160.03989	2.4
163.02629	0.7
163.03900	7.7
165.01837	8.3
166.04982	7.2
167.03429	3.4
168.06552	1.2
169.04988	4.1
178.04980	84.8
179.03400	4.8
179.05310	2.5
180.04155	5.3
187.82352	0.6
190.04936	1.9
206.04474	66.8
207.04846	2.1
215.05603	0.7
228.06563	0.8
229.07281	0.8
239.05733	0.9
239.18277	0.5
240.06546	1.0
256.06021	1.1
257.06897	1.9
267.05231	0.7
268.05997	1.7
270.03992	0.5
272.06052	0.6
272.09149	0.9
275.07736	0.6
282.07550	1.1
284.05511	1.3
285.06339	1.1
286.07034	0.7
287.04584	0.5
288.05093	1.0
297.06345	0.5
300.08627	0.9
302.06546	1.5
303.07404	0.8
310.07123	2.1
313.05917	1.1
318.09692	2.6
328.08151	21.4
329.08435	1.0
336.22012	0.5
346.09183	100.0
347.09534	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	346.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00746	1.1
57.07077	8.1
58.06588	2.3
62.57217	0.9
66.08589	0.9
70.06580	17.9
71.08611	2.9
73.02950	1.1
77.61725	1.0
84.08110	1.1
85.10164	1.7
87.04461	1.2
88.07623	18.7
97.32381	1.1
98.23460	2.0
104.99256	1.2
106.08649	2.6
114.09155	5.5
118.08635	1.3
132.09279	1.9
132.10191	23.1
139.72272	1.0
150.10124	1.7
150.11244	17.3
156.17416	1.7
169.10080	1.5
183.11635	2.1
195.11644	1.4
196.12338	1.6
209.13133	1.3
211.11162	4.2
211.14842	2.0
222.06705	1.2
223.11160	4.3
224.12029	1.6
225.16382	2.7
238.13554	5.0
247.76553	1.0
251.14345	2.2
253.15831	27.7
254.16153	1.6
254.28410	2.9
255.10110	6.2
297.14828	51.2
298.15112	3.3
302.30563	4.5
305.11404	1.4
346.24564	2.3
346.33118	100.0
347.08887	3.4
347.25574	11.7
347.33319	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	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.6
56.47572	3.4
57.03431	4.2
58.01502	2.8
60.43432	2.8
61.81545	3.3
67.05499	52.4
69.07060	11.5
69.41948	2.8
75.71314	3.9
79.05479	14.6
81.07040	23.0
83.04970	3.8
83.08618	14.1
91.05455	9.4
93.07020	16.9
95.08607	17.1
97.10159	12.9
105.07012	8.8
107.04962	2.8
107.08593	17.1
109.10142	56.2
110.10476	3.6
116.44040	3.2
117.07021	3.7
119.08570	9.3
121.10135	5.7
125.09625	12.6
131.08478	3.6
133.10182	3.3
137.09593	4.7
146.13431	3.0
149.09584	3.8
155.10622	19.3
173.11726	100.0
173.13217	6.4
174.12144	4.2
176.19855	3.0
182.12234	2.8
189.11195	10.8
189.22063	3.0
189.45959	3.5
189.73392	3.1
189.79434	3.3
195.13838	6.2
257.18970	3.2
275.19962	28.2
293.21188	4.4
329.06409	3.7
347.18387	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	347.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	10.9
64.51672	2.8
69.72979	6.7
69.73335	4.4
72.08143	3.2
84.08145	3.7
84.96061	6.1
98.23380	6.0
98.97575	41.1
110.97565	8.7
116.98618	21.1
121.57549	3.0
128.98602	12.0
134.99625	6.7
143.00127	4.5
146.99623	4.2
152.98650	6.1
158.99570	6.3
161.01120	4.1
165.69957	2.6
170.99631	7.5
185.04257	2.7
185.07799	16.1
187.89256	3.0
195.62076	3.4
195.89066	2.7
201.00723	3.5
204.58717	3.0
219.01738	13.9
237.02821	19.1
261.06393	11.0
262.67239	3.0
279.04581	4.8
279.07492	77.5
297.08511	13.8
303.07394	3.6
321.08545	12.7
342.53558	3.2
347.07263	9.1
347.12732	30.8
347.16718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0759
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
50.91196	0.2
63.35005	0.2
68.02592	0.3
69.03406	0.3
70.75071	0.3
70.75415	0.2
71.83186	0.2
80.09252	0.2
93.03374	0.7
94.04214	0.2
96.02097	0.5
108.02066	1.4
110.03614	0.5
112.61839	0.2
117.06921	0.2
120.02036	0.2
121.02857	0.9
121.60181	0.2
122.03693	0.2
123.04422	0.6
128.06212	0.5
131.04875	0.4
134.03577	0.2
137.01285	0.3
137.02322	5.9
137.03348	0.3
145.06464	0.4
146.07240	0.5
147.04343	0.2
148.01532	1.7
149.02315	0.3
150.03069	0.9
150.91862	0.2
153.01790	0.4
156.05667	0.5
162.03156	0.3
173.05980	0.5
174.06717	2.6
183.02924	0.3
183.04402	0.3
184.05159	1.6
185.05940	0.9
187.03883	1.2
189.01859	0.2
190.02618	0.8
200.04605	0.4
201.05467	1.5
202.06230	2.3
203.03349	0.5
212.04665	1.5
213.05434	2.6
215.03307	0.6
218.02141	0.4
229.04922	3.9
230.05690	2.5
239.03252	0.2
240.04106	0.5
241.04909	0.6
257.04422	0.9
258.05203	39.4
259.05545	2.0
268.03583	0.3
269.04459	1.1
274.04483	0.2
284.03134	0.5
285.03928	1.0
286.04672	30.5
287.05075	2.0
289.03372	1.2
297.03793	1.3
301.03409	0.4
302.04156	0.7
303.04901	1.9
314.04150	19.4
315.04562	1.5
317.02838	0.3
331.04422	4.1
332.05200	12.4
333.05594	0.7
347.07562	100.0
348.07904	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	347.1311
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.06826	0.6
69.45797	2.0
69.46148	0.5
74.99427	0.6
84.93106	0.5
85.02888	1.0
121.02877	1.2
146.73061	0.5
149.02335	1.0
185.04320	0.7
185.07883	2.0
203.05283	1.4
218.13863	1.1
285.13052	1.2
287.11063	1.3
301.12552	9.7
335.36731	0.6
347.13086	100.0
347.16690	8.2
348.13425	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	347.1674
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
63.16349	0.3
69.37749	1.8
80.43831	0.4
92.07954	0.3
128.64571	0.3
178.27634	0.3
185.11510	1.8
202.87332	0.4
247.28288	0.3
250.69090	0.4
250.71387	0.4
321.91901	0.3
347.16733	100.0
348.17075	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	347.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	2.3
57.07069	4.7
58.06578	2.2
62.43247	1.2
70.06584	3.6
71.42990	1.3
71.43443	1.3
74.06062	3.0
80.22498	1.3
88.07620	13.2
94.94681	1.5
95.08625	1.5
102.09187	3.2
111.04199	3.4
118.08701	2.0
122.08159	1.7
260.99820	1.3
266.97299	1.6
284.29562	3.7
285.29810	5.3
298.31152	3.5
299.31436	3.9
346.33133	20.5
347.21884	100.0
347.25668	36.4
347.33353	25.5
348.22437	7.7
348.26044	2.6
365.06439	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35932	0.7
57.07066	1.0
58.93525	0.7
69.12889	5.4
70.06579	1.2
73.79176	0.7
88.07598	1.9
89.82602	0.7
98.23524	1.3
112.07223	0.8
114.09125	1.1
132.10181	3.2
137.61726	0.8
150.11229	2.6
151.11572	1.3
196.64590	0.8
222.93794	0.8
254.16231	2.3
279.60370	0.8
298.15060	4.1
347.08936	3.3
347.25534	100.0
347.33044	13.3
348.25900	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	348.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77169	15.2
52.15088	13.2
56.96574	18.0
63.83122	12.4
69.09809	100.0
70.06596	15.1
86.87437	13.5
98.23473	19.4
98.97572	17.0
125.01133	14.8
173.46904	14.9
202.76360	17.1
213.09148	31.1
218.02496	13.5
251.14352	28.2
266.08020	16.1
268.09442	19.5
286.27264	18.6
306.11038	34.7
308.08868	32.4
313.14359	51.3
324.11960	46.6
348.31262	92.4
374.85541	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	348.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	21.7
55.28429	12.9
60.60169	9.4
62.83648	11.7
67.05503	34.1
69.07058	13.2
69.63988	10.1
69.64313	39.0
81.07046	31.4
95.08606	11.3
105.03301	11.4
109.10172	44.8
119.08528	13.5
173.11732	72.2
179.08527	11.9
195.08092	12.0
208.12312	15.1
209.09734	22.9
211.46028	10.2
213.09181	12.9
223.14844	23.6
251.14314	100.0
295.13211	18.6
313.14337	87.7
349.10379	79.1
349.19946	13.9
361.01208	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	348.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.05497	3.0
57.03426	3.7
57.07069	3.0
59.05000	3.4
61.02906	2.4
65.03941	2.0
67.05495	12.4
69.03425	8.3
69.07056	6.9
71.04986	17.9
71.43166	1.7
73.02939	1.8
79.05492	10.8
81.03393	4.4
81.07050	38.7
83.04964	6.8
85.02903	22.7
91.05472	20.7
92.45679	1.5
93.07037	18.1
95.04967	20.4
95.08603	8.4
97.02888	7.9
104.05367	1.7
105.07024	35.1
107.08581	50.8
109.02865	2.0
109.06512	10.0
109.10143	16.7
119.08576	2.1
121.10101	2.7
123.04401	1.9
123.11716	31.2
125.05989	3.6
127.03906	6.8
128.06346	1.9
131.08543	8.9
133.10118	61.7
134.10477	2.0
135.08054	1.7
135.11679	5.6
141.06938	1.7
142.07765	1.6
143.08575	4.1
145.04961	7.9
145.10126	2.7
149.05988	1.9
151.11169	100.0
152.11461	2.7
157.10138	6.5
169.10149	2.1
169.12085	1.7
175.11082	2.4
177.12421	1.6
185.08070	2.0
199.11243	2.0
203.09140	4.8
206.31348	1.5
259.13388	2.2
261.41455	1.7
295.15427	3.9
313.16443	3.2
330.24225	2.1
348.20105	28.6
348.25110	6.1
349.18253	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	348.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81289	4.1
53.03957	7.6
53.35676	4.7
55.05500	27.1
57.03442	7.4
57.07062	6.5
67.05496	94.4
69.07063	12.0
69.79251	13.7
71.08604	4.4
79.05484	18.0
81.07047	40.3
83.04967	7.8
83.08595	23.9
91.05476	14.5
93.07029	23.0
95.04926	5.0
95.08575	25.1
96.08928	11.0
97.10185	13.2
99.08115	7.6
105.07031	8.3
107.08609	21.9
109.10142	57.9
111.08073	7.6
115.91206	4.7
117.06997	4.8
117.95516	4.7
119.08578	9.4
121.10159	5.4
125.09653	6.2
145.10120	6.9
149.13293	9.0
155.10692	14.2
159.52130	5.7
173.11728	100.0
173.13231	5.5
179.14392	5.3
189.11195	16.1
195.13780	15.2
213.14841	10.2
218.08942	6.0
232.10497	10.7
260.09964	12.3
270.11984	8.9
277.21643	22.5
295.22742	9.6
302.18365	13.3
312.16711	11.0
330.17880	19.7
348.18597	47.3
349.19800	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82141	0.4
70.69221	0.9
72.43638	0.4
90.34219	0.4
92.87457	0.4
119.03320	0.4
147.04390	1.0
166.19328	0.5
170.06384	1.0
185.04208	1.7
187.03665	1.9
188.07430	0.5
213.83278	0.4
247.04474	0.5
264.97919	0.5
265.05505	0.7
303.13000	0.8
349.08893	100.0
350.09244	5.8
370.53076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61263	0.8
52.17718	0.9
52.62276	0.9
65.48372	0.8
69.49678	4.0
81.07048	1.9
84.04517	0.9
87.02693	1.1
122.02702	1.7
185.04195	43.2
186.04597	1.4
187.03653	11.6
189.94214	0.9
202.08934	2.0
284.28842	0.9
349.08902	100.0
350.09286	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08434	7.0
53.42172	7.3
56.96556	35.5
63.75692	6.6
98.97572	100.0
101.00854	11.2
110.97550	10.7
116.98605	59.9
119.01928	23.2
127.54598	7.9
128.00755	19.5
131.01874	14.0
134.99629	18.5
136.06123	16.7
143.01849	9.1
145.01619	13.8
145.03459	10.0
146.99657	10.6
147.04404	20.4
161.02858	7.8
163.02731	17.9
163.82484	8.3
172.94250	8.1
173.02966	13.2
176.04176	11.4
177.00636	9.5
187.03685	53.9
187.05656	38.6
189.05353	12.0
193.71158	6.9
194.05203	18.5
201.01738	7.9
216.98721	7.8
218.05179	18.4
219.01868	23.4
223.04941	9.5
230.05203	14.1
236.06265	12.5
237.02782	41.8
238.03105	9.2
247.04626	31.6
252.91069	7.9
255.74101	9.1
265.05701	17.8
274.97446	22.9
289.05573	12.1
289.11258	21.6
307.06821	31.3
307.12164	15.5
348.94009	8.3
348.98840	9.4
349.08319	71.9
350.09348	40.6
367.08807	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.8
69.62906	5.4
72.46449	1.7
88.13071	1.6
133.10468	1.7
161.09358	2.5
216.45711	1.8
229.07629	3.0
247.08734	1.8
247.13051	2.1
263.06689	4.7
275.12512	49.1
276.12640	2.2
289.08273	8.1
309.18286	2.2
317.07819	100.0
318.08191	5.8
331.09369	7.0
331.18887	1.9
348.33694	5.9
349.10403	48.8
349.19708	7.1
350.10840	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06533	0.8
55.01864	1.0
55.05259	0.9
55.05508	11.7
56.53110	0.7
57.07067	1.8
63.45728	0.7
67.05501	5.2
69.03429	2.2
69.07059	7.4
69.76958	2.9
79.05467	4.1
81.07040	2.8
83.04940	0.9
83.08595	2.6
85.06538	1.3
91.05479	3.9
93.07033	4.4
95.04937	0.9
95.08603	7.6
97.10164	7.9
98.23374	1.6
103.05421	0.9
105.07034	3.4
107.04938	1.5
107.08585	4.8
109.10136	6.2
115.05463	2.1
117.07002	2.2
119.08546	1.3
121.10139	13.7
122.73803	0.9
123.04425	1.5
128.06241	3.1
129.07030	2.0
133.06482	1.6
135.04402	2.7
135.08032	4.0
135.11642	1.9
141.06987	1.5
142.07727	0.9
143.08574	6.7
145.06506	3.0
145.10135	2.4
147.04428	1.7
147.08032	1.6
148.05202	1.3
149.05959	1.7
151.07552	0.8
153.06979	2.0
154.07767	1.8
155.08534	7.7
157.06476	2.0
157.10123	3.2
158.07248	2.2
159.04379	0.9
159.08035	1.7
161.05974	7.1
162.06708	0.9
163.07536	47.2
163.11201	2.7
165.06982	1.5
167.08571	1.7
168.05702	1.0
169.06444	1.0
169.10124	2.9
170.07246	1.0
171.08049	6.3
173.05994	3.4
173.09619	5.7
174.06683	1.3
175.03851	1.1
175.07535	7.1
177.05452	4.9
177.09079	2.1
179.07057	1.3
179.08450	1.0
181.06468	1.3
181.06833	1.6
181.08580	17.6
181.10092	1.4
181.12167	2.6
182.07225	1.3
183.08080	8.1
183.11642	1.9
184.08775	0.9
185.09648	4.0
186.06804	1.9
187.07515	5.5
189.05438	7.8
189.09091	21.0
193.08574	1.3
193.10147	2.9
195.06561	1.8
195.08104	1.7
197.06065	1.5
197.09555	4.1
198.06760	1.8
199.07539	6.8
201.05573	1.9
201.09094	16.6
203.07028	15.7
203.10623	9.9
205.08488	3.7
207.08258	0.8
209.09576	1.6
209.13159	1.0
211.07603	4.7
211.11151	2.0
213.09132	6.5
214.06235	5.1
214.09784	1.8
215.07121	3.8
215.10640	9.9
216.07840	2.0
216.11089	1.0
217.08583	35.5
218.08954	1.1
219.10063	1.1
221.07881	4.0
221.09897	1.4
221.11627	1.7
223.09509	1.1
225.09151	3.0
225.12708	1.0
227.10689	2.1
229.08583	63.9
229.11903	5.5
230.09013	2.4
231.10136	10.8
233.11742	1.7
235.09583	21.7
237.12622	1.5
239.10651	6.2
240.11517	0.8
243.10117	7.2
243.13843	1.2
245.11674	1.4
247.09601	14.8
248.10130	0.9
249.11090	6.8
252.11372	1.2
253.12230	2.3
254.13037	1.1
255.13786	4.1
257.11716	9.4
257.15552	1.6
261.11331	1.3
265.12238	0.9
267.13788	1.4
269.15390	2.8
271.14023	1.4
271.16888	10.5
273.14932	1.5
275.12769	2.1
277.15765	1.7
280.14542	0.9
285.14883	5.7
285.18475	6.8
287.16391	2.7
289.17950	6.7
295.16879	9.4
303.06558	0.9
303.19440	1.3
313.17935	49.3
314.18341	2.6
317.07794	0.9
331.18994	30.4
332.19431	1.4
349.10464	100.0
349.20029	90.8
350.10760	7.1
350.20410	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	349.1771
Annotation	Imidocarb
Peak:m/z	Relative Intensity
53.99774	0.8
57.07063	1.4
61.14000	1.0
69.66145	3.1
71.08664	1.0
81.07050	1.3
89.06014	1.0
93.07043	1.2
107.08535	0.9
110.91895	1.0
116.13972	0.8
123.08031	1.0
149.02362	1.2
179.14246	1.5
207.20270	1.0
237.05203	1.0
249.08861	19.4
250.09198	1.1
269.16522	1.0
276.11234	2.3
277.12030	1.7
317.15070	5.4
318.15891	46.1
319.16449	12.4
334.15421	1.0
349.17703	100.0
349.26785	2.3
350.18106	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	349.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	40.7
66.34245	29.1
67.05494	76.8
69.07076	27.2
69.77158	100.0
79.05484	83.6
81.07056	90.9
84.66097	28.6
91.05460	42.1
93.07027	62.1
95.08583	53.9
105.07027	29.4
107.08575	82.1
117.07002	28.9
119.08518	34.4
131.08536	34.8
145.10097	37.6
147.11690	31.6
152.13463	33.8
275.19986	77.9
285.09995	47.7
349.23758	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	349.1984
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
54.02447	1.1
67.05489	2.7
69.07035	1.4
69.24925	2.4
69.25320	6.7
79.05483	2.5
81.07050	2.7
91.05498	3.1
93.07054	2.1
95.08571	2.1
105.07031	3.3
107.04894	1.3
107.08599	2.0
109.31088	1.2
119.08575	2.0
131.08522	2.3
133.10124	2.1
133.58070	1.2
145.02841	2.5
145.10152	1.9
159.11703	2.2
169.22621	1.4
177.05502	3.6
199.03644	2.9
257.19235	1.8
275.20047	2.0
349.19824	100.0
349.23590	4.4
350.20224	4.6
350.29276	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
67.05494	1.5
69.07070	1.3
71.43346	0.6
79.05488	1.9
81.07064	1.9
91.05475	1.8
93.07047	1.5
95.04994	0.7
95.08614	0.9
105.07026	1.6
109.06454	0.6
115.42854	0.5
119.08496	1.2
120.08109	2.0
121.10156	1.0
131.08540	1.0
133.10138	0.9
137.05722	1.1
145.10101	1.4
147.11662	1.2
155.50957	0.6
159.11687	0.6
163.07585	0.7
166.08691	0.9
168.79016	0.6
173.13310	0.6
173.48074	0.6
217.08623	1.0
229.08591	1.3
235.12938	0.9
257.19061	1.0
264.93643	0.6
275.19925	1.3
280.12619	0.7
313.18008	1.5
331.18945	1.3
349.19836	100.0
350.20041	5.8
369.66058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2008
Annotation	(-)-Isolasolide
Peak:m/z	Relative Intensity
50.73535	0.9
53.03938	2.3
55.05508	58.9
57.07067	1.4
58.41518	0.9
67.05503	6.7
69.03436	2.0
69.07060	2.8
69.12487	2.9
69.12891	3.6
69.31032	1.1
79.05494	7.6
81.07043	16.5
83.04976	100.0
85.06538	9.4
90.23188	0.9
91.05469	18.6
93.07035	10.4
95.04960	9.3
95.08596	4.8
97.06538	3.2
101.06023	1.5
103.05458	1.0
105.07019	28.1
107.04918	1.9
107.08586	10.5
109.06506	4.3
115.05473	2.2
116.06300	1.2
117.07021	10.8
119.08574	13.1
121.06480	4.5
121.10141	2.6
123.08060	3.5
128.06212	8.0
129.06989	13.7
130.07745	2.7
131.08554	17.6
131.09456	1.4
133.06520	3.6
133.10107	11.9
135.08052	4.3
137.27553	1.1
141.06979	3.5
142.07756	6.9
143.08554	37.1
145.06473	3.8
145.10112	37.1
146.10400	2.1
147.08029	9.4
147.11697	4.9
149.09599	6.8
154.07780	1.6
155.08560	10.6
156.09335	4.6
157.10126	19.6
159.08046	2.5
159.11674	11.7
161.09599	13.8
161.13246	4.2
163.11185	2.1
165.06998	3.8
167.08575	1.3
169.10081	3.7
170.10913	3.7
171.08067	3.0
171.11650	6.8
173.09595	27.0
173.13272	1.0
175.11182	4.8
175.14781	3.4
180.09296	4.7
183.11725	2.4
185.09630	1.7
185.13240	27.6
187.11136	4.9
189.12743	3.7
191.10619	6.7
195.11653	10.6
198.10278	1.8
198.63008	0.9
201.12762	4.3
203.14331	10.3
213.12723	29.6
214.13129	2.3
219.13770	2.1
231.13782	79.0
232.14130	3.6
249.14777	5.2
275.20270	1.2
286.30106	1.2
288.11725	1.2
331.19052	2.2
348.33844	3.9
349.20013	26.7
349.23935	1.7
349.26797	1.2
350.20096	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2006
Annotation	(-)-Isolasolide
Peak:m/z	Relative Intensity
52.93992	1.4
54.29621	1.4
55.05507	61.1
67.05498	3.7
69.03413	2.9
70.50758	1.3
70.69909	2.2
71.04986	3.3
72.69791	1.4
79.05481	7.8
81.07050	12.2
83.04972	100.0
84.05315	1.5
85.06523	8.5
87.80431	1.5
91.05481	14.2
93.07030	9.3
95.04965	8.9
95.08603	2.3
99.45021	1.7
105.07021	27.8
107.08574	10.2
109.06533	4.8
115.05491	1.9
117.06997	10.6
119.08559	14.5
121.06506	3.0
121.10139	1.8
128.06247	6.8
129.06985	9.6
130.07768	4.5
131.08565	16.7
133.06432	2.2
133.10091	7.5
135.08025	3.3
141.06987	3.7
142.07755	4.7
143.08551	40.2
145.06445	3.4
145.10117	40.6
147.08047	9.5
147.11667	3.8
149.09628	5.6
155.08572	8.7
156.09338	4.3
157.10115	18.9
158.07263	2.4
159.08080	2.3
159.11673	9.7
161.09650	12.5
161.13249	3.0
163.11147	2.5
165.06969	3.3
167.10768	1.8
169.10126	3.1
170.10922	4.5
171.08040	4.8
171.11716	6.9
173.09596	27.2
175.11201	4.4
175.14864	4.3
180.09351	3.9
183.11792	2.2
185.13263	20.5
187.11186	3.2
189.12738	2.6
191.10753	5.3
195.11711	9.5
201.12735	2.3
203.14313	10.9
210.69498	1.7
213.12735	26.1
231.13773	68.8
232.14143	3.2
249.14882	5.0
349.20035	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2006
Annotation	(-)-Isolasolide
Peak:m/z	Relative Intensity
53.03954	2.4
55.05506	58.8
57.03432	3.2
57.07058	2.3
57.75526	1.7
58.24723	1.9
58.85100	1.7
67.05496	9.0
69.03417	3.4
69.07061	5.7
79.05490	11.2
80.94871	2.2
81.07042	20.1
83.04970	100.0
85.06535	13.0
91.05456	18.9
91.05901	1.8
93.07040	11.8
95.04964	9.0
95.08614	8.6
97.06519	3.8
101.06017	2.7
105.07011	31.3
107.04990	2.8
107.08588	12.9
109.06520	3.8
114.02534	1.9
117.07005	12.9
119.08560	17.0
121.06487	2.3
121.10106	3.1
123.08040	2.4
125.05939	2.0
128.06204	10.5
129.06976	11.0
130.07825	4.4
131.08543	21.9
133.06520	4.5
133.10126	12.0
135.08025	5.8
135.11690	3.1
141.06972	4.5
142.07768	8.3
143.08549	38.3
144.09286	3.0
145.06477	3.3
145.10115	45.6
147.08057	7.4
147.11684	3.2
149.09583	5.0
151.07469	2.3
155.08540	14.9
156.09276	4.1
157.10100	16.8
159.11668	14.0
161.09607	30.3
161.13255	4.4
162.50630	2.1
163.11201	4.2
165.07082	2.5
165.09096	2.2
169.10123	4.1
170.10930	2.9
171.08083	5.4
171.11710	8.8
173.09612	30.2
173.13182	2.6
173.19376	1.9
174.69046	1.8
175.11194	4.8
175.14803	2.5
180.09290	3.1
183.11707	5.3
185.13240	25.7
187.11143	4.9
189.12758	6.1
191.10701	5.5
195.11633	11.2
198.10406	2.8
201.12755	10.8
203.14264	11.1
213.12701	27.6
214.86017	1.9
219.13823	3.1
219.17461	2.9
221.15373	2.4
231.13754	80.0
232.14125	3.2
249.14769	11.1
275.15210	2.0
275.20099	7.9
316.16946	1.9
331.19055	3.6
348.26764	2.3
349.20117	29.6
349.23947	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	349.2006
Annotation	Gibberellin A53
Peak:m/z	Relative Intensity
55.05511	4.5
67.05495	5.7
69.07072	3.7
70.37351	4.1
70.37682	2.2
71.05915	2.1
72.59464	2.5
79.05491	4.2
81.07049	9.6
91.05487	12.5
93.07055	8.2
95.08605	10.9
98.23412	2.1
99.86487	2.3
103.05469	4.6
105.07034	8.7
107.08590	8.4
109.10152	11.0
112.91567	2.5
115.05479	2.7
117.07016	5.1
119.08591	8.6
121.06504	2.9
121.10077	2.4
123.11715	4.2
131.04951	3.4
131.08533	4.1
133.06471	2.9
133.10155	7.1
135.08067	3.5
143.08540	4.2
145.06497	3.9
145.10112	5.0
147.06863	4.1
147.08041	78.9
147.11691	3.2
149.05969	17.5
149.09602	39.0
149.10675	3.8
155.08530	3.7
157.10085	5.4
159.11700	3.3
161.09657	3.6
163.11169	3.2
165.09093	2.6
169.10043	3.7
171.08005	2.8
173.09596	14.6
175.11179	2.8
177.05486	4.9
183.11679	3.3
185.09680	6.2
187.11174	4.0
189.09140	8.2
190.13115	2.6
195.06516	4.9
197.09607	5.7
197.13292	4.8
199.11105	4.4
199.14777	2.4
201.09106	4.8
211.11133	3.4
211.14960	3.2
213.12735	5.1
217.08592	2.7
224.90286	2.4
225.12715	4.3
235.09653	2.9
239.17987	5.1
241.92526	2.5
257.15378	3.1
257.18982	8.7
267.17426	18.0
269.18954	5.3
275.19983	4.4
285.04175	2.7
285.18488	16.1
286.04718	2.7
287.20020	100.0
288.20309	5.2
295.16812	6.1
299.05350	5.1
301.03378	3.7
303.19534	9.4
313.18039	10.2
331.19141	10.4
349.08789	2.8
349.19940	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	349.2009
Annotation	Tricholomalide C
Peak:m/z	Relative Intensity
52.77723	1.6
55.05511	16.4
67.05499	5.1
69.07061	8.1
69.51399	2.6
69.51808	3.7
79.05482	4.4
81.07055	4.0
83.08619	3.2
91.05486	5.3
92.78476	1.3
93.07041	4.5
95.08588	8.5
97.10178	10.7
98.14397	1.2
105.07021	4.3
107.04944	2.5
107.08581	4.3
109.10135	6.0
115.05455	2.9
117.07014	4.3
119.08575	1.7
121.06485	1.4
121.10142	15.0
126.12704	1.5
128.06192	4.5
129.07024	1.9
135.04387	4.3
135.08060	3.5
135.11723	2.8
141.07011	1.5
143.08548	9.3
145.06500	3.9
145.10132	5.0
146.33162	1.4
147.04395	1.9
148.05208	3.3
153.06989	2.5
155.08545	8.1
157.10179	3.9
158.07260	2.6
159.04422	1.8
160.05174	1.9
161.05988	6.7
163.07533	60.9
163.11189	2.7
165.06996	1.9
169.10138	4.4
171.08047	7.5
173.05969	5.7
173.09610	5.0
174.06708	1.7
175.03929	2.1
175.07550	6.7
177.05481	5.7
177.09154	2.7
179.07051	1.5
179.08498	1.8
181.06842	1.8
181.08592	20.5
181.10121	2.0
181.12213	4.1
183.08101	8.7
185.05940	1.8
185.09642	2.8
186.06764	1.8
187.07568	5.6
189.05452	9.0
189.09085	26.6
193.10136	1.8
195.06490	2.7
195.08087	1.6
197.09518	6.4
198.06677	1.7
199.07558	6.7
200.08156	2.0
201.05376	2.6
201.09105	19.7
203.07024	20.0
203.08701	2.5
203.10622	9.2
205.08614	5.9
209.09622	1.4
211.07559	5.2
211.11177	3.7
212.08315	1.5
212.54880	1.3
213.09074	9.4
214.06274	5.1
214.09694	1.6
215.07098	4.3
215.10661	11.0
216.07837	2.5
217.08583	40.8
218.09000	1.9
221.08022	4.2
221.09814	2.8
225.09135	3.5
225.12645	1.6
227.10648	3.4
229.08589	75.0
229.12231	4.7
230.09113	3.3
231.10118	12.0
235.09586	21.0
239.08511	1.8
239.10629	9.9
243.10152	6.0
243.13776	1.9
247.09673	19.3
247.12086	1.8
247.13277	1.6
249.11024	7.8
251.14215	1.5
253.12306	1.9
254.12953	2.1
255.13792	2.8
257.11618	8.3
261.11212	1.7
269.15454	3.8
271.16858	12.8
273.14844	2.2
275.12689	2.6
277.15891	2.0
285.14877	7.1
285.18515	6.0
287.16357	2.6
289.17984	8.6
295.16919	8.5
303.19470	1.6
313.17950	50.7
314.18420	3.5
331.19009	31.9
332.19461	2.9
349.10498	69.7
349.20062	100.0
350.10873	4.8
350.20087	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03940	0.7
55.05509	5.6
57.03424	0.5
57.07061	1.4
59.04992	0.5
67.05500	4.5
69.07061	8.9
71.04978	1.3
71.08627	0.5
79.05486	2.8
81.07047	8.6
83.04964	0.5
83.08611	3.2
85.06534	1.3
91.05480	1.8
93.07038	4.6
95.04959	0.9
95.08591	6.6
97.06514	1.6
97.10121	0.8
101.06104	0.4
103.06530	0.4
105.07021	1.8
107.08575	4.7
109.06512	11.5
109.10165	3.4
111.08072	1.6
118.24677	0.4
118.34599	0.4
119.08578	2.5
121.10151	3.0
121.19128	0.4
122.07275	1.2
123.08055	60.9
123.11624	1.9
124.08382	1.1
125.09640	0.7
133.10078	3.0
135.08037	4.0
135.11664	1.5
137.09613	3.5
137.13214	0.6
145.10097	1.2
147.11691	1.3
149.09622	0.9
149.13232	1.6
151.11122	0.9
156.92555	0.4
159.11673	0.9
161.13237	1.1
163.11189	0.6
163.14839	0.5
165.12755	1.0
173.13300	0.7
179.14279	11.1
180.14639	0.5
210.60277	0.4
233.18932	0.7
233.26425	0.4
275.20065	1.2
281.20975	0.6
282.45291	0.4
289.25394	0.5
293.21069	15.7
294.21478	0.9
307.22733	0.8
331.26273	3.1
349.27328	100.0
350.27625	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.01265	0.4
53.03944	0.5
55.01867	0.9
55.05294	0.4
55.05511	4.8
57.03436	0.5
57.07063	1.8
67.05503	5.3
69.07064	11.7
69.07436	0.7
69.07824	1.9
69.08218	0.9
71.04978	1.6
71.08612	0.8
72.47401	0.4
75.04807	0.4
79.05486	4.3
79.05895	0.5
81.07047	9.3
83.04963	1.3
83.08621	3.5
85.06525	0.7
91.05475	2.2
93.07027	5.2
95.04959	0.8
95.08599	7.0
97.06509	1.9
97.10142	1.2
99.08104	0.4
104.44110	0.4
105.07016	3.5
107.08597	5.5
109.06506	11.2
109.10142	4.4
111.08062	1.9
118.15848	0.4
119.08584	4.2
121.06476	0.8
121.10133	3.6
122.07278	0.8
123.08053	66.2
123.11674	1.9
124.08400	1.4
125.09655	0.6
131.08568	1.1
133.10098	2.9
135.08035	5.4
135.11682	1.7
136.08786	0.4
137.09596	3.8
137.13271	0.5
143.08350	0.4
145.10104	1.4
147.11674	1.6
149.09599	1.2
149.13249	2.2
151.11081	0.6
156.01306	0.4
159.11662	0.9
161.13208	1.0
163.11183	0.8
165.12733	0.5
173.13313	0.4
175.14882	0.4
177.12717	0.8
179.14288	19.3
180.14703	0.5
187.14911	0.6
203.69196	0.5
215.14244	0.8
223.49228	0.4
233.15376	1.8
233.18950	0.8
275.20065	1.1
281.21005	0.5
289.21469	0.5
289.25153	0.8
293.21060	16.2
294.21350	0.9
294.72318	0.4
303.26990	0.5
307.22705	1.0
331.26208	3.5
342.90036	0.4
349.27328	100.0
350.27655	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	349.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.9
57.07071	38.4
59.37121	0.6
69.07050	1.0
70.15226	1.0
71.08625	24.9
72.04508	0.6
73.06547	3.2
83.08608	1.5
85.10174	17.5
87.04472	0.9
89.06023	100.0
90.06348	1.5
91.07570	0.6
97.10177	1.3
99.11737	2.2
107.07064	7.3
113.13295	0.9
117.09138	0.6
127.95710	0.6
130.08629	1.8
132.43269	0.6
133.08595	32.0
134.08896	0.9
151.09647	4.5
155.17915	1.1
177.11188	5.8
183.55713	0.6
195.12253	19.0
198.14824	1.1
199.20633	0.6
219.17329	0.6
227.25755	0.6
305.26761	0.7
349.23370	3.0
349.29517	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39700	6.2
56.16237	6.6
64.17518	5.7
67.59564	5.7
69.52444	30.3
71.20844	5.5
75.48279	6.4
79.83656	6.0
94.24947	6.0
97.02882	6.8
98.97543	6.5
121.06493	11.8
147.04379	8.8
150.97198	7.2
188.03761	11.3
241.03590	7.6
241.21666	7.7
249.08759	7.2
350.06274	100.0
350.12039	96.8
352.69086	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	350.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03370	12.0
82.57137	10.0
85.02883	18.0
88.48109	10.6
89.21384	9.9
98.97588	19.7
106.31819	10.6
117.46851	11.0
166.13069	11.2
187.90427	10.9
350.05838	100.0
350.09756	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	350.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71735	1.0
69.91675	1.7
69.92071	1.8
75.04481	1.1
85.14462	0.8
96.31931	0.7
98.23405	1.1
98.94379	0.8
109.24397	1.2
128.06203	4.0
129.06998	0.8
139.20850	0.7
141.06969	1.2
143.08553	6.6
153.06984	1.6
154.07773	1.9
155.08539	9.7
165.06993	0.9
169.10063	1.9
179.08516	4.5
182.07245	1.8
193.73412	0.9
195.08099	1.3
197.09596	66.0
198.09935	4.1
199.07523	100.0
200.07823	6.0
202.07556	0.8
203.83960	0.9
205.09979	1.3
222.53983	0.9
223.07407	0.7
225.12697	1.2
241.08554	24.5
242.08871	0.8
251.10713	4.6
278.09268	1.1
279.10098	3.4
291.10013	0.8
297.11179	5.9
298.11313	0.9
315.12207	9.4
316.12677	1.1
350.10696	6.9
351.11990	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	350.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.1
57.01661	1.0
57.03437	1.9
57.07068	2.6
59.03392	0.9
67.05496	8.7
69.07050	6.2
69.83722	3.8
71.08619	4.0
71.94035	1.2
77.02841	1.0
79.05494	8.4
80.32194	1.0
81.03366	1.4
81.07050	11.4
83.04978	1.5
83.08604	2.4
83.83578	1.1
91.05457	5.5
93.07036	12.0
95.04961	2.1
95.08604	15.1
97.06526	1.6
97.10180	5.4
99.08085	3.0
105.07013	9.2
107.08579	13.8
107.09281	1.6
109.10143	8.5
117.07018	3.0
119.08554	11.1
121.10130	10.9
123.11681	3.8
131.08531	6.6
133.10103	10.2
135.08078	1.5
135.11696	11.1
137.13263	1.2
145.10117	8.4
147.11684	18.4
149.13219	4.3
151.11200	2.0
157.10112	2.7
159.11674	10.0
161.09607	1.6
161.13226	9.0
163.11172	1.6
164.98149	1.1
167.10747	1.2
171.11742	4.0
173.13210	11.6
174.67271	0.9
175.11128	3.0
175.14867	1.1
177.09123	1.0
177.98798	0.9
179.14232	9.6
181.76186	0.8
185.13234	4.4
187.14760	6.9
189.12695	2.2
191.10570	1.7
199.14726	2.3
201.12619	1.8
201.16319	2.3
203.10643	1.7
215.14290	1.3
217.12321	2.5
229.19336	1.2
231.13696	1.1
231.21072	1.3
241.19458	6.3
243.21065	21.9
244.21439	2.1
254.63441	1.3
259.20483	3.1
271.20547	8.3
277.21588	3.4
287.20020	100.0
288.20493	5.5
315.19519	35.1
316.19861	1.6
333.20563	65.3
334.20828	4.9
350.23212	2.4
351.15616	1.2
351.25229	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	351.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30415	2.0
69.14821	6.4
69.15233	7.4
76.89980	2.0
79.81165	2.4
84.20630	2.3
87.72363	2.3
90.35945	2.1
102.49369	2.7
105.62590	2.3
123.90260	2.3
124.09718	2.4
129.84128	2.0
166.92468	2.5
170.20747	2.4
188.99474	2.5
350.20056	3.0
350.24124	2.4
351.21399	100.0
352.21857	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	24.2
69.07024	0.7
70.98118	7.4
81.47890	0.7
84.96021	6.4
88.99153	1.4
98.97569	56.4
100.99149	0.7
110.97557	28.1
112.85375	0.8
112.99133	4.3
116.98607	22.0
116.99397	1.4
124.99110	1.4
126.97038	2.4
128.98590	25.5
129.02272	1.0
131.00175	5.4
133.01686	1.4
134.99637	5.3
136.99112	0.8
140.98593	3.3
143.00169	7.6
144.98064	4.2
145.01692	2.3
146.99637	12.5
147.03261	17.3
147.04385	1.1
149.01189	2.5
152.98598	1.5
155.00134	1.9
158.99646	6.2
161.01218	4.3
162.99100	1.7
163.02797	1.5
165.04321	12.4
170.99631	6.3
173.01190	2.1
175.02780	3.3
177.00681	7.8
189.00670	5.5
189.04300	15.3
189.05913	1.2
193.03854	3.7
195.01802	1.6
201.00632	4.2
201.04382	4.2
203.05879	1.3
207.05405	6.6
213.04356	1.7
217.03854	2.0
219.01738	39.9
219.05400	3.2
221.06927	1.0
231.05380	8.9
233.06956	0.9
237.02780	69.0
238.03117	1.7
243.05328	2.7
249.06459	3.7
255.03941	4.8
291.07468	38.5
292.07874	1.7
309.08514	100.0
310.08887	2.6
332.10208	1.4
341.89667	0.9
351.05133	1.6
351.09592	33.4
352.09866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0992
Annotation	(+)-Monorden D
Peak:m/z	Relative Intensity
56.05009	1.7
58.06579	4.2
70.06551	3.0
72.08156	2.0
73.66553	1.8
78.53423	1.7
86.06037	2.3
88.07635	16.7
89.06015	2.4
98.23491	4.9
100.07608	2.8
100.95477	1.8
101.06002	2.0
129.92824	1.8
132.10181	7.4
176.12775	2.2
193.82454	1.6
214.21680	11.0
215.21988	2.9
232.45010	1.8
258.24219	7.5
287.78366	1.9
302.26727	5.0
333.07156	3.6
350.28983	46.3
351.09827	100.0
351.21323	3.8
351.29376	27.2
352.10196	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	351.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
67.05486	4.2
69.54157	3.7
69.54574	1.6
71.08624	2.6
73.13073	0.9
79.05470	1.3
81.07047	3.6
81.97068	0.8
90.52068	1.1
91.05469	1.4
93.07034	2.6
95.08630	1.8
99.08073	1.9
105.03378	2.0
105.07024	1.0
107.08587	1.7
109.10151	1.4
135.11737	1.2
149.05956	1.6
150.06303	1.1
151.11200	1.3
235.53749	1.0
277.21744	2.3
296.68634	1.2
319.12964	12.4
333.10849	1.4
336.13354	9.8
351.15652	100.0
351.25027	2.4
352.15887	7.7
352.25128	2.8
369.16736	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.3
55.05494	2.1
57.03424	0.9
57.07056	1.8
61.02890	0.6
64.95936	0.5
67.05489	2.8
69.03425	1.4
69.07063	3.6
69.33236	2.3
69.33654	0.9
71.01344	1.9
71.04980	2.9
71.08604	1.7
73.02903	1.7
77.82452	0.6
79.05482	2.7
80.85899	0.6
81.03413	1.4
81.07051	4.1
83.04993	0.6
85.02882	1.0
89.06026	2.3
91.05474	14.5
91.40711	0.5
93.07037	1.6
95.04959	1.3
95.08592	2.9
97.02881	5.0
97.06519	11.9
99.04424	1.0
99.08119	0.6
100.00754	0.5
101.02366	0.8
109.06524	1.6
109.10126	0.7
111.08053	3.1
115.07554	1.3
117.07004	1.5
123.04433	1.0
123.08065	2.2
125.05946	2.3
127.03920	2.0
127.07538	6.4
137.09598	2.1
139.07535	2.6
141.09108	1.5
147.08038	100.0
147.09062	5.1
148.08388	2.9
151.07549	5.2
151.09676	2.4
165.09117	4.2
169.08586	6.3
187.09682	1.3
293.43671	0.6
333.17068	1.2
351.17950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.4
55.05506	11.3
57.03428	5.2
57.07071	39.4
67.05497	22.5
69.07058	9.4
71.08620	4.1
79.05489	24.7
81.07049	40.7
82.11236	2.7
83.04980	4.4
83.08660	3.9
85.06544	25.1
91.05469	45.7
93.07035	32.7
95.04970	18.0
95.08593	13.3
97.06532	7.4
98.23480	9.0
105.07015	59.1
107.04933	6.5
107.08583	20.0
109.06481	8.8
111.08099	6.8
115.05455	6.2
117.07016	32.2
119.08579	32.1
121.06499	6.8
121.10141	11.6
123.08080	3.6
125.05923	3.0
128.06219	15.1
129.06995	31.6
130.07751	7.0
131.08548	40.6
133.06467	8.9
133.10120	27.2
135.08023	5.5
135.11668	5.5
141.06924	4.8
142.07770	14.7
143.08543	59.1
145.06493	8.4
145.10104	94.7
147.08054	14.1
147.11667	12.4
149.09589	8.9
149.13313	3.2
151.07581	3.2
153.07008	5.1
154.07713	3.0
155.08531	32.5
156.09361	11.0
157.10107	34.3
158.07253	4.7
159.08052	3.4
159.11693	14.6
161.09587	26.7
161.13264	8.2
163.11209	4.5
165.06995	7.2
167.08447	3.2
169.10129	7.0
170.10915	8.0
171.08055	7.3
171.11691	16.1
173.09605	80.7
173.13234	3.9
174.10022	3.5
175.11140	8.2
175.14836	5.5
179.14288	8.3
180.09357	6.4
183.11617	3.2
184.08841	3.2
185.09631	2.8
185.13216	37.0
187.11172	5.6
189.12709	6.3
191.10661	17.5
195.11708	19.2
201.12798	5.1
203.14308	20.6
213.12732	52.9
214.13112	5.1
229.16043	3.0
231.13786	100.0
231.16017	6.1
232.14073	4.9
245.18703	2.6
249.14862	10.1
259.20599	9.6
273.14929	3.9
277.21439	7.1
291.15845	4.3
351.21530	10.2
351.25345	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
67.05495	0.5
69.18886	1.9
81.07035	0.5
93.07050	0.6
98.22624	0.4
98.67841	0.4
105.07014	0.5
163.40231	0.4
164.67853	0.4
203.28964	0.4
240.79373	0.4
317.90472	0.4
333.20547	0.6
351.21375	100.0
352.21625	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	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.35196	0.5
58.64479	0.4
61.52023	0.4
70.27058	0.9
81.07050	0.8
93.07070	0.7
98.23378	0.6
105.06990	0.6
130.22818	0.4
235.12921	0.5
277.57382	0.6
281.13480	0.5
351.21381	100.0
352.21664	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	351.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
55.89238	2.4
56.49792	2.7
57.07070	70.2
67.05508	5.6
67.83012	3.1
69.09873	17.6
71.04985	3.4
79.05492	11.8
81.06647	2.5
81.07040	17.7
83.04989	3.8
85.06534	30.4
91.05466	13.5
93.07047	13.4
95.04971	9.8
95.08591	3.6
105.07014	35.0
107.04950	4.2
107.08606	8.9
109.06506	6.3
115.05460	3.9
117.07022	11.3
119.08576	16.6
121.06480	3.3
123.08072	3.1
125.05997	3.2
128.06226	7.8
129.06992	13.9
130.07811	5.3
131.08572	22.4
133.06461	3.8
133.10117	15.9
135.08047	3.4
141.06976	4.3
142.07759	6.9
143.08548	52.4
144.09271	2.8
145.06474	5.2
145.10114	51.3
147.08060	10.7
147.11679	5.6
149.09599	6.8
155.08499	13.1
156.09363	7.6
157.10091	22.3
159.08112	3.5
159.11679	16.2
161.09613	18.3
161.13274	3.5
163.11046	3.5
165.07025	6.7
169.10123	3.1
170.10902	3.7
171.08067	7.7
171.11726	7.0
173.09604	28.6
175.11125	5.1
175.14848	7.0
180.09381	5.4
185.13234	29.1
187.11172	3.6
189.12778	4.3
191.10687	8.3
195.11699	10.8
198.10396	3.0
201.12744	9.0
203.14325	13.7
213.12740	30.9
214.44931	2.8
231.11494	5.7
231.13782	100.0
231.16029	5.5
232.14229	8.6
249.02797	2.5
249.14835	8.2
269.01538	2.4
318.18875	2.5
333.20432	3.9
351.21609	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29689	2.1
53.03941	4.4
55.01873	3.2
55.05506	20.3
57.03432	10.0
57.07055	3.1
67.05170	1.9
67.05497	50.7
67.05861	2.8
68.96375	1.8
69.07060	19.6
71.04977	4.1
75.04478	2.3
79.05486	77.5
81.07049	65.7
83.04977	3.2
83.08617	6.8
85.06526	3.7
91.05471	57.8
93.07035	100.0
95.04936	13.1
95.08601	45.7
97.06523	4.4
97.10162	3.3
98.23446	4.6
99.08096	5.4
105.04515	4.4
105.07015	60.7
107.08586	57.6
109.10136	17.3
111.08083	2.7
113.09634	3.1
117.07018	11.9
119.08569	55.4
121.10133	44.2
123.08057	3.0
123.11667	5.0
125.81569	2.0
129.06975	12.9
131.08546	22.1
133.10124	48.7
133.16570	2.3
135.11684	45.4
142.07773	2.2
143.08549	11.9
145.10103	22.3
147.11671	56.5
149.09625	4.2
149.13222	27.8
157.10115	12.4
159.11659	17.7
161.13232	44.1
163.11171	3.7
163.14799	10.7
168.56136	2.6
171.11699	14.4
173.13281	11.9
175.14789	22.9
177.12784	3.7
185.13274	17.6
187.14656	3.1
189.12668	3.2
199.14803	8.1
203.14255	2.8
213.16382	5.9
215.18027	2.3
217.19444	6.7
231.17474	2.3
231.21022	7.5
241.19484	39.6
259.17792	5.0
259.20560	98.3
260.20889	5.2
275.20071	2.8
277.21628	16.8
333.10944	6.8
333.24219	8.0
351.21329	16.7
351.25269	70.1
352.25571	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.05289	1.8
55.05511	18.4
56.96566	1.6
57.01370	1.5
57.03424	3.2
57.07069	4.1
65.03921	2.3
67.05497	42.8
69.07060	15.1
69.18523	3.9
69.18922	8.3
71.04973	2.6
71.08615	2.1
75.04472	2.8
79.05486	67.3
81.07049	52.0
82.07401	2.0
83.04951	5.8
83.08598	6.6
85.06535	2.5
91.05470	64.0
93.07034	85.4
95.04949	8.8
95.08022	2.7
95.08597	38.4
97.06506	3.8
97.10193	2.0
98.22691	3.2
99.08054	3.5
105.04540	3.0
105.07016	71.7
107.08582	43.1
109.06510	2.5
109.10154	10.4
109.73035	1.6
111.08067	2.4
115.05433	2.0
117.07014	18.3
119.08563	61.8
119.85787	2.1
121.10131	24.9
123.11730	3.2
125.09570	2.0
128.06192	2.8
129.06966	10.4
129.48024	1.6
131.08559	27.7
133.10114	52.2
135.11681	29.1
142.07755	1.7
143.08569	10.7
145.10092	24.1
147.11667	52.3
148.12004	3.4
149.09630	3.3
149.13232	23.2
157.10153	14.8
159.11682	26.1
161.09631	2.2
161.13242	37.2
163.11209	3.2
163.14761	8.0
165.12627	1.8
171.11678	18.1
173.13219	17.6
175.11127	3.2
175.14786	14.5
177.12662	4.0
185.13229	16.1
187.14850	5.8
189.12737	3.2
191.14256	2.0
199.14764	9.3
213.16393	4.6
215.14307	5.7
217.19482	3.2
229.98605	1.7
231.21074	9.5
232.21384	1.9
241.19485	33.0
250.55518	1.6
259.20544	100.0
260.20822	4.7
277.21509	2.8
307.12970	4.6
333.24081	3.6
351.18124	2.0
351.21323	8.7
351.25177	51.7
352.25580	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01867	4.2
55.05506	22.2
57.03439	17.6
57.07069	5.8
65.03938	3.0
67.05498	63.8
69.07064	20.3
69.26883	12.8
71.04983	2.8
71.08627	47.9
79.05486	49.3
81.03415	4.4
81.07048	57.6
83.04978	8.7
83.08605	9.9
85.06519	3.2
87.26073	2.6
91.05476	36.2
93.07030	55.4
94.07356	3.4
95.04955	9.8
95.08599	41.6
96.08979	4.3
97.06527	9.3
97.10204	3.6
98.23438	5.0
99.08082	37.8
104.23829	2.2
105.07018	22.6
107.04958	8.7
107.08585	32.1
108.08925	3.8
109.06525	3.3
109.10152	18.8
110.10503	2.5
111.08086	4.4
117.07024	6.9
119.08575	26.1
120.08900	2.5
121.10139	33.0
122.10444	2.5
123.07996	2.8
123.11687	4.0
131.08554	9.5
133.10121	14.5
134.10461	3.0
135.11684	33.9
136.12033	2.5
137.09586	5.3
143.08582	5.9
145.10153	9.0
147.11703	13.0
148.12019	3.0
149.13255	15.2
151.11165	19.6
157.10080	2.2
159.11661	6.8
160.12021	2.4
161.13254	14.1
163.11139	7.1
163.14836	4.4
165.12788	2.9
167.10655	5.0
171.11705	3.4
173.13239	4.6
174.13599	3.0
175.14835	3.9
177.12816	3.0
179.14291	100.0
180.14606	4.7
185.13217	4.5
187.14827	3.0
189.12753	4.2
221.15376	3.2
235.16963	4.2
241.19559	6.8
242.19922	3.6
244.21419	8.6
259.20596	7.4
272.20953	3.2
277.21567	34.4
287.19907	5.0
288.20374	40.6
316.19873	18.2
334.20880	30.1
351.15460	6.8
351.25351	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01869	10.6
55.05508	12.1
57.03411	1.8
57.07060	2.9
65.03909	0.9
66.38081	0.8
67.05500	18.6
69.03424	2.1
69.07065	16.4
69.07433	0.6
71.04985	3.0
71.08625	2.7
71.43288	0.8
79.05491	12.3
81.07047	27.2
82.07390	1.1
83.04975	5.0
83.08617	3.2
85.06522	2.1
85.29089	0.9
87.04478	0.9
91.05472	13.5
92.91530	0.8
93.07040	20.4
94.06562	2.8
94.07384	0.8
95.04401	1.4
95.04955	13.1
95.08017	1.5
95.08596	20.5
97.06522	11.4
97.10155	1.3
99.08076	3.6
105.04532	0.9
105.07025	13.7
106.07314	1.2
107.04971	1.4
107.08575	11.2
109.06508	59.0
109.10152	6.1
110.06824	1.5
111.08065	1.8
117.07001	2.8
117.07802	0.7
119.08553	12.4
121.06495	12.0
121.10140	6.9
123.08042	5.7
123.11703	1.8
129.06978	1.2
131.08562	8.5
132.08913	1.1
133.10106	6.6
134.10501	0.9
135.08044	6.0
135.11674	2.6
137.09576	4.1
143.08501	1.8
145.10086	8.4
146.10490	1.2
147.08061	1.4
147.11676	3.8
149.09596	2.9
149.13261	1.5
151.11160	1.9
152.79616	0.7
153.12753	0.9
155.08502	1.1
157.10118	3.0
158.10513	1.5
159.11688	3.2
161.09612	1.1
161.13254	2.3
163.11186	9.6
163.14804	1.8
165.12740	32.9
171.11681	1.7
173.13281	4.2
175.11195	2.5
177.12749	1.6
179.14316	1.0
183.11497	1.0
185.13289	1.1
187.14790	2.1
191.14301	5.0
197.13217	1.8
201.12700	1.1
204.14590	0.9
205.15909	1.1
215.14287	2.7
216.14587	4.0
221.15376	3.0
229.14247	2.0
233.15326	5.8
233.17415	1.0
243.21191	1.4
258.18723	0.9
261.22067	7.9
271.20633	2.6
289.21582	61.7
290.21863	3.9
295.19012	6.9
307.22577	1.6
333.24228	1.9
351.25262	100.0
352.25595	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	17.0
57.02098	3.3
57.03429	10.3
57.07065	5.9
57.08718	3.5
66.22200	3.5
67.05497	49.5
69.07056	17.9
70.50217	6.5
70.63171	3.3
71.08613	8.2
75.04462	8.6
79.05484	68.4
81.07053	52.4
83.08603	10.1
89.06013	6.4
91.05473	46.5
93.07034	88.9
93.07598	4.6
95.04963	10.4
95.08590	37.9
98.64552	3.1
99.08078	5.4
105.07011	55.1
107.08577	54.3
109.10159	11.3
117.07016	9.5
119.08553	45.1
121.10130	44.4
123.11726	6.9
129.06976	7.4
131.08568	19.6
133.10114	48.8
135.11670	51.1
143.08582	9.2
145.10098	21.1
147.11661	47.9
149.09624	3.9
149.13206	23.9
157.10104	12.3
159.11687	21.2
161.13231	34.6
163.14777	5.8
171.11757	14.9
173.13260	9.9
175.14821	11.9
177.12743	4.3
185.13268	16.1
187.14856	5.3
199.14873	9.0
219.08032	4.1
231.21011	8.3
237.44746	3.7
241.19489	34.0
243.08818	3.8
247.07573	6.8
259.20551	95.7
261.05396	7.4
262.09818	3.9
274.06235	6.4
275.06873	4.5
276.07690	11.5
277.08609	5.8
277.21655	9.3
278.09137	5.7
289.08624	8.2
293.11740	17.7
294.11856	4.4
303.06580	8.4
304.07230	28.0
305.08057	16.0
319.09625	100.0
320.10236	29.3
321.11197	15.5
333.24188	5.5
336.09680	4.4
351.12344	23.4
351.25211	57.6
352.25385	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	17.0
57.02098	3.3
57.03429	10.3
57.07065	5.9
57.08718	3.5
66.22200	3.5
67.05497	49.5
69.07056	17.9
70.50217	6.5
70.63171	3.3
71.08613	8.2
75.04462	8.6
79.05484	68.4
81.07053	52.4
83.08603	10.1
89.06013	6.4
91.05473	46.5
93.07034	88.9
93.07598	4.6
95.04963	10.4
95.08590	37.9
98.64552	3.1
99.08078	5.4
105.07011	55.1
107.08577	54.3
109.10159	11.3
117.07016	9.5
119.08553	45.1
121.10130	44.4
123.11726	6.9
129.06976	7.4
131.08568	19.6
133.10114	48.8
135.11670	51.1
143.08582	9.2
145.10098	21.1
147.11661	47.9
149.09624	3.9
149.13206	23.9
157.10104	12.3
159.11687	21.2
161.13231	34.6
163.14777	5.8
171.11757	14.9
173.13260	9.9
175.14821	11.9
177.12743	4.3
185.13268	16.1
187.14856	5.3
199.14873	9.0
219.08032	4.1
231.21011	8.3
237.44746	3.7
241.19489	34.0
243.08818	3.8
247.07573	6.8
259.20551	95.7
261.05396	7.4
262.09818	3.9
274.06235	6.4
275.06873	4.5
276.07690	11.5
277.08609	5.8
277.21655	9.3
278.09137	5.7
289.08624	8.2
293.11740	17.7
294.11856	4.4
303.06580	8.4
304.07230	28.0
305.08057	16.0
319.09625	100.0
320.10236	29.3
321.11197	15.5
333.24188	5.5
336.09680	4.4
351.12344	23.4
351.25211	57.6
352.25385	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.7
57.03444	11.3
58.78540	6.4
60.57835	6.0
61.02934	9.9
62.49417	6.1
66.49794	6.9
69.03424	36.7
69.06716	7.6
69.07066	94.4
70.37354	5.1
71.04977	5.8
73.98450	5.5
74.03379	5.6
75.25652	5.7
76.66322	7.0
80.46742	5.6
81.03414	26.7
81.72045	6.9
85.02896	98.7
85.06527	7.4
86.09709	11.3
87.00822	48.7
91.05470	7.9
93.07023	9.6
95.08591	8.6
97.02884	68.9
98.73285	5.8
99.04444	12.4
105.01859	100.0
109.02866	22.7
111.08097	8.6
124.79054	6.8
127.03915	85.1
137.09604	6.3
145.04965	70.8
155.10672	22.5
159.02849	12.7
173.11714	19.2
231.04971	25.5
237.60251	6.9
249.06096	14.8
275.78879	6.2
331.37927	6.4
352.13455	7.7
352.17664	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	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32026	2.2
52.06277	2.6
53.03938	4.2
55.01866	8.8
57.03428	7.3
61.02922	10.9
68.99806	3.5
69.03425	40.7
69.07056	48.7
71.04987	5.8
73.02916	6.0
79.05476	3.9
81.03410	25.4
81.07065	4.1
85.02896	100.0
85.06534	3.9
86.09725	4.0
87.00822	47.1
91.05447	4.4
93.07033	4.7
97.02886	50.1
99.04433	16.0
105.01855	74.6
105.04577	3.0
107.08576	3.8
109.02892	25.2
111.08083	8.0
117.01833	2.9
127.03902	73.8
135.08119	3.4
145.04956	44.6
147.02853	3.2
148.71695	2.7
149.09615	2.6
149.97832	3.1
153.09138	4.2
159.02843	18.2
177.09096	7.5
189.03935	4.9
195.10202	16.0
230.06570	2.6
231.04979	21.8
248.07663	3.3
249.06052	11.4
311.23407	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	352.1614
Annotation	O-beta-D-Xylosylzeatin
Peak:m/z	Relative Intensity
57.03435	2.2
61.02911	0.3
65.03944	0.3
65.59613	0.3
67.05494	0.6
68.00716	0.3
69.03421	1.7
70.09498	0.6
71.01342	0.7
73.02911	0.9
79.05466	0.5
81.03381	0.5
85.02898	2.4
91.05480	0.6
94.04041	0.4
97.02889	0.8
109.02906	0.3
115.03935	0.5
116.35131	0.2
117.03362	0.3
119.03538	1.4
125.77698	0.2
129.61322	0.2
133.04973	0.6
135.06628	0.3
136.06175	100.0
137.04576	1.0
137.06621	1.5
142.77713	0.2
145.02896	0.4
146.04686	0.3
148.06166	8.7
159.06654	1.0
163.03932	0.4
175.09846	0.4
178.02556	0.3
185.08232	4.1
191.03360	7.1
202.10873	9.4
203.11127	0.5
220.11914	92.5
221.12238	2.9
273.04630	0.3
277.15384	0.3
352.16122	38.9
353.16284	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36077	1.1
70.06628	1.1
71.26015	1.0
81.07066	1.4
84.08154	3.8
91.05477	2.3
95.04977	1.7
98.23485	3.0
105.07000	1.6
115.07568	2.2
127.12338	1.5
143.08531	1.8
145.10039	1.9
151.03880	1.7
151.58939	1.1
161.09618	1.5
173.09616	1.6
185.04228	2.0
203.14212	1.4
213.12808	1.6
231.13715	1.8
353.08380	100.0
354.08624	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	353.084
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
51.35798	1.6
53.00183	1.7
56.26448	2.2
56.30245	1.7
57.61032	1.7
60.54762	1.6
70.70483	2.0
85.02884	2.9
96.76288	1.6
155.02905	2.8
185.04198	85.1
191.03145	17.1
191.08138	2.9
250.75731	1.8
272.06540	10.7
353.08383	100.0
354.08731	5.1
373.44266	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0842
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
50.02399	2.0
51.83900	1.7
61.02216	1.8
69.03400	3.9
69.32773	7.3
69.33182	3.8
73.02940	2.5
85.02912	9.2
85.13408	2.0
97.02899	2.2
98.23522	4.0
98.97606	2.4
110.52988	1.8
112.89596	12.7
113.18069	1.8
114.89307	2.0
145.13716	2.1
161.02948	3.7
162.91933	1.9
190.91882	2.2
245.04970	3.5
263.06104	2.9
272.06522	8.1
281.07132	2.6
296.12897	2.1
353.08380	100.0
354.08948	5.3
365.08981	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.102
Annotation	Picropolygamain
Peak:m/z	Relative Intensity
50.04700	0.7
52.25309	0.6
52.26530	0.6
55.44543	0.6
65.55667	0.6
70.00991	2.1
98.22767	0.8
106.71057	0.8
109.31933	0.6
115.92046	0.6
120.34878	0.6
165.06995	4.7
166.07779	6.2
167.08467	1.9
169.06514	1.4
178.07761	11.9
179.08427	1.1
181.10114	6.1
185.06023	1.2
189.07024	1.9
190.07745	4.2
191.08524	12.8
191.10214	1.2
192.09398	1.2
193.10110	6.7
194.07239	4.6
195.07994	1.9
197.05960	1.2
206.07280	1.3
209.09619	12.9
210.10031	1.0
215.65950	0.6
218.07275	1.6
219.08038	18.9
220.08620	2.0
221.09518	5.0
222.06750	4.3
223.07521	3.2
234.06778	2.0
236.08424	0.7
237.09082	33.5
238.09499	1.9
247.07565	14.4
248.08205	2.8
249.09081	15.7
250.06212	6.6
250.08716	1.0
251.06799	1.5
264.07782	1.3
265.08575	100.0
266.09018	6.0
267.10251	1.6
275.07016	25.4
276.07358	2.2
279.10123	2.7
293.08057	92.3
294.08499	7.8
297.11093	4.3
303.06461	1.1
307.09610	4.4
325.10672	12.6
326.11078	0.7
335.09000	1.0
353.10092	49.8
353.13367	2.7
354.10413	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1019
Annotation	Picropolygamain
Peak:m/z	Relative Intensity
52.54588	0.3
56.57345	0.3
59.72200	0.4
60.08871	0.3
61.16840	0.4
67.46014	0.4
71.49554	0.4
74.97980	0.3
77.82321	0.3
141.07013	0.5
152.06221	1.0
153.06960	0.5
165.07010	1.4
166.07797	0.7
167.08499	0.8
169.06462	3.8
169.07695	0.4
177.06956	1.0
178.07765	26.9
179.08441	3.3
181.10136	0.9
189.07042	0.8
190.07829	0.8
191.08533	2.3
192.09343	3.1
193.10115	19.0
194.10652	0.8
195.08026	0.7
203.08563	0.6
205.06473	0.6
206.07207	1.6
207.08069	0.6
207.11777	0.5
209.09624	2.2
219.08069	3.1
220.08742	0.9
221.06064	0.8
221.09558	3.9
222.10274	1.5
223.07581	1.0
233.06013	0.4
234.06743	5.9
235.07501	2.5
237.09093	1.6
247.07544	3.0
248.08273	1.9
249.09094	100.0
250.06651	0.7
250.09476	6.4
251.06914	2.1
251.10739	0.7
265.08582	2.5
266.09122	0.7
275.07043	1.4
277.08582	0.6
279.06534	3.1
281.11734	1.7
293.08078	26.2
294.08340	1.7
307.09677	0.8
309.11188	2.7
321.07507	2.0
325.10516	0.7
335.12335	0.5
353.10141	30.3
354.10535	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46477	5.6
57.00061	6.4
58.65004	6.0
71.42808	8.4
79.91245	5.4
120.08076	6.8
166.18199	6.6
179.39183	5.8
191.03365	7.9
301.06589	6.4
301.56616	6.0
318.92291	6.8
335.12515	100.0
353.13812	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	353.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50229	0.3
55.29000	0.3
55.41707	0.3
58.69137	0.3
70.06561	0.3
70.58826	0.5
77.37407	0.3
81.07022	0.4
85.91844	0.3
91.05453	0.4
97.02831	0.3
105.07032	0.7
117.07037	0.4
119.45494	0.4
131.08475	0.3
143.08542	0.5
145.02811	1.0
145.10135	0.4
146.05995	0.9
155.10576	0.3
160.05096	2.1
164.07135	0.3
173.09705	0.5
174.05498	2.7
177.05473	1.3
191.06888	0.4
192.07851	2.3
195.25378	0.3
217.04980	0.7
230.59943	0.3
231.97485	0.4
270.10770	0.4
325.12527	0.4
353.12033	100.0
354.12280	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	353.1355
Annotation	cotinine-glucuronide
Peak:m/z	Relative Intensity
69.58234	1.2
105.35074	0.4
146.91689	0.5
187.72592	0.4
277.08450	0.3
353.13568	100.0
354.13931	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	353.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66320	0.5
67.05499	0.9
69.07056	0.7
69.10201	2.0
69.10628	2.2
79.64218	0.5
81.07030	1.0
82.07353	0.5
134.83688	0.5
137.48671	0.5
165.06920	0.8
165.12675	0.7
166.13174	0.9
167.08591	1.2
179.08554	2.9
180.09261	0.7
181.89197	0.5
189.06938	3.3
190.07802	1.0
191.08353	1.0
192.05515	0.5
193.10094	1.7
194.10898	1.0
195.08133	1.1
196.13399	0.6
203.08510	4.2
204.03384	0.6
204.09335	13.3
205.09746	1.2
207.08057	1.3
209.13306	1.0
214.07672	0.7
219.11662	11.4
220.12036	0.7
221.09633	1.0
222.06778	1.1
222.10437	2.4
223.07515	3.8
223.10934	0.7
229.10110	2.4
231.08049	1.3
232.08812	8.4
233.09285	1.2
235.07468	3.7
236.08257	1.5
237.12706	1.6
247.11154	29.9
248.11581	2.2
249.09053	1.5
250.09923	4.0
251.07013	5.9
259.07529	1.2
260.08344	5.8
263.07019	4.6
264.07693	1.7
265.12250	11.1
266.12698	0.7
275.10620	23.5
276.10916	1.7
278.09366	15.1
279.09595	1.2
293.11688	100.0
294.12018	6.5
311.12830	1.2
352.31772	0.8
353.25720	1.4
353.31888	1.0
354.33450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03291	2.4
53.03960	2.2
55.01868	3.3
55.05513	7.7
56.96555	6.1
57.03439	2.6
57.07068	5.3
65.03932	4.2
67.05506	23.7
69.03419	8.4
69.07063	5.1
70.58708	3.5
71.04978	7.7
73.71286	2.0
79.05490	34.1
81.07052	57.6
83.04984	15.3
83.08569	2.1
85.06538	49.8
87.00846	2.5
87.04493	2.6
91.05477	70.5
92.05849	2.4
93.03389	2.4
93.07052	37.0
95.04967	52.4
95.08595	16.4
97.06534	13.4
99.04470	2.8
99.08102	3.3
103.05476	6.4
105.07022	99.6
106.07388	3.2
107.04944	10.3
107.08583	31.2
109.06515	17.6
109.10164	3.0
111.08068	4.9
115.05477	10.8
116.06179	2.8
117.07015	45.0
119.04897	2.9
119.08576	44.5
120.08974	2.3
121.06496	19.5
121.10181	10.7
123.08057	7.3
125.06014	2.8
128.06224	25.8
129.07011	39.1
130.07800	13.1
131.04947	2.8
131.08560	60.4
133.06471	17.6
133.10112	28.0
135.08047	17.2
137.09543	2.7
141.06978	8.2
142.07755	16.7
143.08549	94.7
144.09311	5.0
145.06468	18.1
145.10121	100.0
146.07277	3.4
146.10493	4.3
147.08044	29.6
147.11676	13.4
149.09604	26.5
151.07487	4.0
153.06958	6.6
155.06049	4.3
155.08551	26.2
156.09331	10.0
157.10117	37.8
158.07327	5.1
159.08061	7.9
159.11678	22.2
161.09613	58.4
161.13206	11.8
162.09952	2.4
163.11090	11.2
165.06966	7.6
165.09039	2.2
167.08560	2.3
169.10126	6.7
170.10907	8.2
171.08015	19.3
171.11719	18.6
173.09612	73.1
173.13206	6.2
174.10056	3.2
175.07649	2.7
175.11174	9.8
175.14827	11.1
176.15063	2.2
179.08659	3.1
180.09366	8.2
183.11786	3.8
185.09612	5.8
185.13229	59.9
186.13605	2.3
187.11166	13.9
189.09113	8.4
189.12698	14.4
191.10667	20.1
195.11664	20.7
198.10419	7.8
201.12776	8.5
203.14293	41.5
205.12105	3.0
213.12741	68.9
214.13074	5.3
225.08017	8.8
231.13792	80.4
232.14116	5.1
243.09027	3.8
249.14902	10.9
267.00064	2.2
317.13620	4.3
335.14798	11.5
353.15897	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	353.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01858	5.3
55.05495	6.4
55.47667	1.9
57.07058	5.4
65.03938	2.9
67.05499	16.2
69.03411	8.2
69.07060	4.4
69.47189	3.7
69.47582	5.2
71.04967	4.7
71.41975	2.1
77.03931	2.4
78.44970	2.1
79.05478	26.9
81.03403	4.4
81.07047	46.3
82.25295	2.3
83.04967	10.4
85.02889	5.3
85.06525	12.8
85.42474	2.3
87.04444	3.1
91.04933	3.9
91.05469	50.0
93.07040	27.1
93.49392	2.1
95.04958	41.7
95.08611	13.5
97.06536	12.8
103.05456	3.1
105.07023	69.6
107.04924	5.9
107.08582	24.1
109.06491	15.7
111.04450	3.3
115.05444	9.9
116.06246	3.6
117.07008	34.1
118.10610	2.1
119.08570	33.3
121.06492	18.1
121.10135	10.6
123.08074	10.6
125.05967	3.1
128.06192	22.7
129.07025	25.9
130.07774	9.2
131.04890	3.4
131.08553	39.1
133.06485	10.1
133.10126	26.8
135.08025	12.4
137.05943	4.6
137.09621	2.9
141.06964	8.6
142.07764	13.4
143.08551	70.3
144.08990	3.3
145.06464	10.6
145.10101	71.0
146.07263	2.8
146.10487	3.0
147.08025	12.1
147.11719	6.1
149.09624	18.8
151.07555	2.7
153.07005	2.5
154.07777	2.8
155.08546	16.1
156.09355	5.3
157.10109	25.5
158.07169	3.2
159.08055	5.0
159.11658	11.0
160.05043	100.0
161.06087	2.8
161.09605	40.0
161.13231	3.0
163.11174	10.2
165.06958	8.3
169.10063	3.7
170.10869	8.1
171.08044	9.3
171.11653	10.9
173.09607	47.8
173.13191	5.4
175.11197	8.4
175.14748	11.8
180.09361	6.3
184.08829	2.8
185.09613	4.9
185.13245	36.9
187.11165	6.0
189.09189	2.5
189.12715	8.2
191.10617	12.6
191.14294	6.7
192.07655	93.1
195.11665	12.3
198.10320	5.5
203.14352	25.8
210.14809	3.3
213.12738	43.0
231.13770	46.2
232.14212	3.6
249.14824	4.0
290.97156	2.5
303.86786	2.2
317.14011	2.7
335.14890	6.5
336.15097	3.0
353.11731	2.6
353.15961	6.7
354.12988	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1721
Annotation	Ile-lle-OH
Peak:m/z	Relative Intensity
52.53801	0.6
57.60742	0.6
67.05488	1.5
69.07070	0.9
69.76416	1.6
71.08621	2.0
72.04505	1.0
79.05494	0.9
81.07058	1.3
93.07050	1.0
93.30402	0.6
95.08597	1.1
98.23415	0.9
99.08096	0.7
100.08456	0.6
130.09093	0.7
151.80528	0.6
165.12711	2.8
166.13138	1.2
170.01773	0.6
236.19907	1.1
321.14658	1.5
334.27567	1.4
335.27762	2.6
352.32001	0.9
353.17194	100.0
354.17487	6.9
354.33566	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16418	0.3
69.67467	0.8
69.67862	0.7
81.39740	0.3
89.72897	0.3
95.17683	0.4
98.22659	0.4
102.03910	0.3
335.12558	0.7
335.21759	0.5
353.22931	100.0
354.23236	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2321
Annotation	6beta,7beta,9alpha-Trihydroxy-8,13-epoxy-labd-14-en-11-one
Peak:m/z	Relative Intensity
53.03952	1.3
55.01851	1.6
55.05516	8.3
57.03426	1.5
57.07064	1.5
63.76421	1.2
67.05499	23.9
69.03424	5.3
69.07040	6.8
71.04992	2.5
74.67234	1.6
79.05489	18.3
81.03445	1.5
81.07050	68.4
82.07356	1.9
83.04977	8.5
83.08612	5.0
91.05467	18.7
93.07037	18.5
95.04948	8.9
95.08592	19.2
97.06534	6.3
99.04460	1.6
100.11241	4.0
105.07028	17.3
107.04968	1.5
107.08568	12.3
109.06496	5.7
109.10142	11.4
111.08056	2.3
117.06998	6.0
119.08577	16.6
121.06491	7.7
121.10133	13.7
123.08056	3.3
123.11693	100.0
124.12040	3.1
127.07544	1.6
128.06236	1.6
128.10719	2.9
129.06992	3.8
131.08549	11.3
133.06458	1.8
133.10107	10.3
135.08022	15.0
135.11649	1.3
142.07700	3.4
143.08549	5.1
145.06480	2.4
145.10092	10.7
147.08047	5.3
147.11659	5.6
149.09641	9.1
151.11151	2.8
155.08537	2.3
156.10295	1.9
157.10112	7.7
159.08028	8.3
159.11676	10.7
161.09593	20.8
161.13213	3.4
163.11154	2.4
167.08484	1.5
169.10126	5.4
170.10950	1.7
171.08099	1.7
171.11719	4.2
173.09615	3.5
173.13249	3.4
174.10179	1.6
175.07526	1.4
175.11172	4.6
175.14839	3.4
177.09125	2.6
181.10028	1.7
182.15388	2.5
183.11658	4.7
185.09615	1.6
185.13254	4.8
187.11180	4.2
187.14795	4.6
187.50110	1.4
189.12729	4.1
191.03424	5.2
191.14305	2.0
197.13211	3.6
199.11230	1.8
201.12730	3.4
203.14311	21.9
211.11269	2.3
211.14914	3.6
213.12704	2.6
215.14330	6.6
217.15874	5.2
221.13251	1.9
221.15273	1.6
223.11142	1.9
225.12695	1.6
229.15897	2.9
233.15445	2.6
239.14250	2.6
253.19504	2.9
257.19153	1.7
269.19000	3.7
271.20645	1.8
281.18976	7.5
282.19308	1.8
287.19992	2.5
299.20038	13.8
309.21744	1.5
317.21060	16.7
321.10880	2.0
335.22162	14.1
353.07468	1.5
353.13614	2.2
353.23181	61.0
354.23560	3.0
354.27356	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	21.9
56.24564	3.0
57.03413	2.9
57.07071	8.7
57.17397	3.2
58.35595	2.6
65.03943	3.1
67.05504	88.9
69.07059	16.3
69.82420	5.6
69.82782	7.5
70.06577	14.5
71.04977	4.1
71.08605	6.2
79.05489	53.9
81.06627	5.7
81.07057	80.3
81.98453	3.3
83.08614	7.2
83.41431	3.4
85.06523	5.3
88.07626	20.4
91.05478	26.7
92.49699	3.3
93.07034	71.6
94.07325	3.7
95.04955	7.0
95.08600	63.8
96.08968	3.4
97.10139	3.5
98.22768	6.2
99.08109	6.6
102.09190	4.2
105.07027	24.7
106.08659	8.1
107.08591	43.0
109.10159	28.8
117.07005	9.9
119.08588	17.3
121.10143	34.7
123.11697	15.0
131.08551	28.3
133.10136	13.1
135.11678	22.4
137.13248	9.4
145.10103	17.0
147.11630	10.7
147.47502	3.2
149.13240	23.8
158.97626	3.7
159.11685	12.9
161.13245	8.8
163.14793	16.0
170.29900	3.6
173.13239	18.0
177.16338	7.2
187.14789	8.2
197.01286	4.0
214.40173	3.7
233.22675	6.2
243.21060	27.9
247.11101	6.2
261.22107	67.7
275.10678	6.0
278.09689	3.4
293.11737	11.5
326.53113	3.8
335.21561	4.1
335.25714	7.8
336.32739	4.2
353.11218	4.6
353.17392	17.5
354.33643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	24.2
57.07071	9.4
67.05502	100.0
69.07069	15.1
69.30494	16.2
70.06590	11.6
71.05005	7.4
74.06081	7.1
79.05487	57.6
81.07053	99.0
81.97329	4.8
83.04983	10.9
83.08626	11.4
83.90406	5.0
88.07623	13.5
91.05480	29.2
93.07040	67.7
95.04958	5.9
95.08595	75.8
105.07024	23.3
106.08649	9.1
107.08581	48.8
109.10146	32.3
117.06995	11.2
119.08588	21.0
121.10131	27.7
123.11724	12.3
130.78229	4.5
131.08551	19.2
133.10141	16.7
135.11688	21.3
136.72836	4.5
137.13239	8.2
145.10138	31.3
147.11668	11.5
147.47383	4.9
149.13263	28.4
151.14789	4.7
157.10114	5.6
159.11667	11.4
161.13251	7.8
162.77946	4.0
163.11121	4.7
163.14824	17.3
173.13274	13.8
175.14850	6.6
187.14792	13.2
201.16344	6.2
243.21048	31.9
261.19482	8.7
261.22110	80.3
285.66855	4.9
335.25861	5.4
336.32541	6.8
353.16962	5.8
353.26614	9.6
354.33670	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.01855	1.4
55.05505	14.9
57.03439	6.1
57.07064	3.6
65.03934	3.5
67.05502	97.0
68.05808	2.1
69.07065	14.4
69.74399	4.1
71.04993	2.8
71.08618	2.8
75.04462	1.3
79.05124	0.6
79.05486	46.3
81.07053	100.0
82.07376	1.7
83.08621	6.8
85.06557	2.4
91.05473	18.8
93.07039	55.0
93.30472	1.0
94.07397	1.4
95.04984	5.3
95.08601	68.6
96.08960	1.9
97.06483	1.6
97.10151	1.8
98.22836	2.2
99.08079	1.3
105.04508	1.3
105.07026	17.4
107.08585	35.4
109.06514	2.5
109.10151	35.6
111.07990	1.3
113.09615	1.6
117.07016	8.1
119.08579	14.8
121.10131	26.5
123.11715	18.0
130.07756	1.1
131.08554	18.7
133.10130	12.8
135.11684	20.3
136.12032	1.8
137.13246	6.1
139.11209	1.6
145.10095	11.2
147.11678	8.2
149.09615	1.4
149.13245	16.8
151.14864	1.9
153.12679	1.3
154.81505	1.1
159.11707	12.1
159.68513	1.0
161.13271	4.7
163.11064	1.2
163.14816	8.3
173.13242	12.5
176.99229	1.2
177.16380	3.8
187.14783	7.3
188.15120	1.1
201.16347	1.5
205.15912	1.7
219.11606	1.8
219.17480	1.6
233.19031	1.1
233.22617	2.5
243.21097	15.0
247.11226	3.1
261.22122	62.5
262.22427	4.3
275.10733	1.6
278.09259	1.6
279.23215	4.7
293.11786	10.5
294.12070	1.7
305.65045	1.2
335.25647	5.9
353.26941	15.0
354.27045	1.5
358.75919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85490	1.3
53.37596	1.3
55.05502	11.1
57.03432	2.9
57.04207	1.3
57.07062	4.3
65.03927	2.3
65.11917	1.3
67.05496	71.1
69.07060	8.5
69.10440	7.1
71.08643	1.5
76.57789	1.2
79.05480	36.4
81.07045	73.4
82.07382	1.8
83.08606	4.8
85.06557	2.2
91.05466	17.7
93.07031	47.7
94.07332	1.6
95.04936	3.9
95.08592	52.2
97.06540	1.8
97.10168	2.5
105.07013	15.2
107.08576	27.7
109.06467	1.7
109.10137	27.8
117.06995	7.7
119.08569	12.3
121.10132	26.8
123.11681	17.9
125.09608	1.2
131.08534	18.2
133.10098	10.9
135.11671	24.4
137.13225	6.7
145.10077	14.2
147.11681	9.5
149.13234	16.9
151.11147	2.4
151.14812	3.0
153.12790	1.3
159.11647	12.6
161.13167	7.8
163.11020	1.5
163.14809	11.7
173.13216	17.2
175.14816	2.9
177.16368	4.3
187.14777	9.2
201.16342	2.8
205.16061	1.5
215.17966	2.2
233.22641	3.1
243.21033	19.1
261.22104	100.0
262.22372	5.9
279.23190	2.6
335.25894	7.5
353.26846	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.5
57.02488	1.2
57.03426	4.7
57.07071	5.8
64.09670	1.2
64.90632	1.2
65.03936	2.4
67.05502	99.9
69.07066	12.4
69.24522	3.0
69.24912	3.0
71.04981	2.2
74.09715	10.4
75.04494	1.3
79.05489	50.9
81.07053	100.0
82.07378	2.6
82.56655	1.3
82.75402	1.3
83.04982	1.9
83.08614	7.7
85.06519	1.7
91.05476	22.9
93.07040	68.2
94.07336	1.8
95.04964	5.0
95.08603	65.8
97.06503	2.1
97.10168	3.2
99.08099	2.7
99.53239	1.3
103.13901	1.3
105.04505	2.0
105.07018	20.2
105.64444	1.3
107.08581	38.4
109.06470	1.4
109.10156	38.2
112.17008	1.2
113.09650	1.7
117.07033	10.5
117.51683	1.3
119.08595	14.4
121.10139	34.5
121.23686	1.3
123.11707	20.2
131.08566	19.2
131.10625	1.1
133.10132	15.3
135.11696	24.8
136.11896	1.8
137.13210	7.3
145.10121	18.3
147.11690	11.6
149.13242	21.7
150.13582	1.4
151.11192	1.5
151.14864	1.6
159.11690	13.8
161.13248	9.4
163.14790	12.4
173.13246	18.4
175.14833	3.0
177.16341	2.4
187.14804	9.1
191.14137	1.5
201.16368	3.6
205.15846	1.7
215.17897	1.5
219.17387	2.5
233.22675	3.8
235.76324	1.5
243.21095	24.8
244.21513	1.8
261.22125	93.5
262.22620	6.3
268.10852	2.5
279.23117	2.9
324.92987	1.4
335.25858	6.5
353.26828	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	1.5
55.05507	16.4
57.03430	7.2
57.07071	3.9
61.02897	1.0
65.03944	2.8
67.05501	100.0
67.74527	1.3
69.05608	1.1
69.07058	11.9
69.40064	5.8
71.04980	1.8
71.08614	1.2
79.05487	44.1
79.55315	1.2
81.07051	99.5
82.07375	2.4
83.04963	1.4
83.08608	5.7
85.06542	2.1
85.23930	1.2
91.05477	18.2
93.07038	52.6
95.04967	3.6
95.08600	68.0
96.08952	1.3
97.06503	1.8
97.10178	3.0
99.08083	2.7
105.04568	1.4
105.07035	14.8
105.22173	1.1
107.07837	1.7
107.08582	35.2
109.06548	2.1
109.10148	38.8
111.08037	1.7
113.09644	1.4
115.07511	1.4
117.07050	8.4
117.98337	1.2
119.08573	14.7
120.33385	1.1
121.10130	22.6
123.08127	1.5
123.11691	20.2
125.09666	1.4
131.08548	17.8
133.10133	12.7
134.33461	1.3
135.11687	25.8
135.12653	2.1
136.11896	1.3
137.13243	5.0
145.10114	12.1
147.11671	9.2
149.13242	15.1
153.12785	1.4
159.11646	10.7
161.13240	7.1
163.14806	10.0
165.12782	1.6
173.13231	15.0
174.13606	1.6
175.14822	3.3
177.16318	1.9
179.14189	1.4
184.06245	1.4
187.14804	9.0
201.16382	3.5
233.22624	5.0
243.21005	17.2
251.69684	1.4
261.22119	74.1
262.22485	4.8
279.23151	5.7
317.25070	1.9
335.10361	1.8
335.25720	7.6
353.17325	8.2
353.26794	18.6
354.26398	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2835
Annotation	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Peak:m/z	Relative Intensity
53.03944	4.7
55.05497	12.9
57.07057	3.9
62.13789	2.3
67.05498	30.8
69.07058	12.4
69.26841	9.5
69.27258	4.5
71.04977	4.5
79.05489	21.9
81.07047	100.0
83.08604	5.4
91.05464	25.7
93.07036	61.1
95.04967	13.4
95.08588	54.9
96.70772	2.6
97.06524	10.1
105.04582	3.1
105.07018	62.6
107.07924	3.8
107.08595	45.9
109.06519	10.7
109.10145	29.8
111.08066	2.9
117.07029	7.2
119.08563	50.5
121.10136	29.2
123.08073	3.5
123.11703	9.8
125.09637	3.4
129.07060	2.5
131.08542	22.2
133.10097	36.4
135.11673	20.8
137.13268	2.9
142.07785	4.1
143.08522	9.1
144.09344	2.5
145.10115	44.3
147.11681	38.0
149.13252	11.5
157.10143	19.7
158.10963	3.0
159.11687	50.0
159.66209	2.6
160.12439	4.1
161.13252	24.2
163.11096	2.9
163.14825	6.3
171.11673	16.4
172.12387	3.1
173.13260	23.9
175.14798	11.0
177.12714	3.9
183.11618	3.3
185.13251	14.9
187.14806	23.1
188.88799	3.7
189.16383	20.1
191.75539	2.5
197.13206	3.7
199.14839	10.7
201.16354	20.0
203.17876	4.2
211.14772	6.0
213.16360	19.4
215.17953	13.9
223.14816	3.1
225.16388	5.5
227.17912	8.5
239.17863	3.2
257.18939	4.8
259.20404	3.2
265.19586	3.1
269.22675	5.4
335.27161	11.5
353.24463	5.4
353.28400	79.7
354.28772	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	354.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76479	0.3
56.96537	1.1
57.87795	0.4
69.60072	0.9
75.20744	0.3
87.19200	0.4
97.02875	0.9
98.06039	1.9
98.97569	3.7
102.21525	0.3
116.98606	1.3
118.66679	0.4
118.82401	0.4
121.23524	0.3
122.04549	0.5
128.98590	0.5
131.00658	0.4
134.99661	0.8
140.05551	1.4
156.03244	0.5
158.06613	17.4
159.06816	1.1
176.07674	9.6
177.00862	0.6
177.07785	0.8
186.06082	0.4
188.07660	1.2
190.95436	0.4
192.98486	0.4
194.54202	0.4
202.04126	0.5
206.32570	0.4
219.01981	1.7
232.96504	0.6
240.05643	1.3
244.05171	6.0
246.06694	1.1
252.05676	0.8
256.05066	0.7
258.06726	4.0
270.06683	11.6
271.06845	1.1
274.97598	0.8
276.01328	0.5
282.06693	5.6
283.06894	0.8
286.06302	2.4
287.06122	0.5
294.06641	6.2
295.06815	0.8
300.07773	18.7
301.07965	2.2
312.07742	100.0
313.07938	11.2
333.96661	0.4
335.09317	1.3
354.11865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01868	0.3
57.03418	1.0
61.02921	1.9
61.81257	0.2
62.93748	0.2
69.03422	4.6
69.79401	0.2
70.01781	0.6
71.04984	0.5
71.23182	0.2
73.02905	0.8
78.82265	0.2
81.03407	1.8
84.10936	0.3
85.02897	8.8
87.04470	0.9
91.03922	0.6
97.02876	3.5
98.22771	0.3
99.04459	0.6
109.02856	1.3
127.03918	2.4
127.79726	0.3
128.98465	0.2
132.05588	0.7
133.06374	0.3
145.04945	0.9
146.06047	0.6
160.05043	86.5
161.05467	2.4
174.05495	1.1
184.93526	0.3
192.07657	100.0
193.08014	3.5
322.10364	0.4
354.08484	0.3
354.12827	5.8
355.13165	0.5
366.91254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
57.03431	0.4
65.03934	0.8
69.03419	1.3
79.05483	0.8
81.03413	1.0
85.02895	2.0
89.03900	0.4
91.05479	0.5
92.05791	0.4
97.02883	1.2
103.24575	0.3
106.02348	0.3
107.04943	0.6
109.02862	0.4
111.04414	0.5
117.03306	0.4
118.03731	0.4
127.03894	0.7
132.05554	1.2
134.07346	0.4
135.04507	0.3
136.06161	0.7
160.05043	100.0
161.05420	3.1
163.03979	0.5
164.04192	0.5
189.80164	0.3
191.03317	4.4
192.03877	7.8
192.07655	95.6
193.08055	2.7
201.05453	0.4
220.11989	0.5
278.15851	0.5
293.56461	0.3
354.12741	1.3
354.16605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	8.7
55.01869	5.9
57.03429	7.1
61.02919	6.3
65.52257	1.6
68.99789	4.0
69.03427	36.8
70.57008	3.7
71.05005	3.7
72.67262	1.5
73.02904	6.0
77.19424	1.6
79.05481	1.7
81.03413	24.0
81.07032	3.1
85.02900	100.0
87.00823	48.9
93.07037	2.4
95.08581	2.2
97.02888	34.7
99.04456	14.4
103.03946	1.5
105.01862	75.5
105.07078	2.9
107.08595	6.3
109.02871	27.9
117.01807	1.8
119.08582	5.0
127.03910	71.5
128.04280	2.0
129.01843	3.9
137.05945	1.7
145.04955	34.1
145.10037	2.2
147.02861	1.8
159.02896	11.7
169.10104	1.6
173.09628	2.7
187.14873	3.0
189.03929	4.2
205.06854	4.0
213.04019	1.9
231.04976	22.1
247.11562	11.7
248.70250	2.1
249.06082	6.1
265.12662	2.2
295.09702	4.8
308.02377	1.5
308.06512	1.5
336.16147	10.1
354.17450	2.8
355.17236	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01865	7.5
57.03429	5.9
61.02913	7.2
66.92619	1.8
68.99778	2.5
69.03423	41.9
71.04984	2.8
71.43726	2.1
73.02915	4.3
80.94013	2.0
81.03410	21.8
85.02896	100.0
87.00820	51.6
87.44064	1.9
93.49130	1.9
93.49711	2.0
97.02884	32.1
99.04434	14.7
100.11234	3.0
105.01855	78.0
109.02881	27.4
125.04800	2.0
126.05470	2.3
127.03902	65.4
145.04939	34.1
151.96011	1.8
159.02863	9.5
171.95723	2.0
182.15385	3.7
189.03876	4.3
201.43788	2.2
210.14906	5.8
213.03934	3.2
231.04974	19.7
249.06123	4.9
268.79031	1.8
294.11948	2.2
322.11420	2.5
346.52911	2.1
354.14236	2.4
355.17346	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	354.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01873	7.5
57.03432	5.8
58.70670	1.2
61.02921	6.0
66.61890	1.2
68.99787	2.6
69.03426	32.0
71.04990	4.0
71.41065	1.3
73.02915	5.7
81.03417	21.2
85.02901	100.0
87.00825	47.9
87.04436	1.4
97.02896	30.1
99.04446	13.9
100.11260	2.1
103.03956	1.2
105.01863	68.5
106.02174	1.3
107.02463	1.2
108.04467	1.8
109.02171	2.5
109.02875	25.8
117.01836	1.9
126.05514	1.5
127.03910	70.7
129.01849	2.9
145.04961	31.5
147.02872	2.4
159.02863	12.0
189.03908	2.9
194.08278	1.4
213.04037	2.7
231.04977	17.9
249.06012	3.1
355.17239	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	354.1909
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
52.25278	1.1
53.03954	1.6
55.01863	1.5
64.79482	1.1
67.05498	2.0
69.07067	11.7
69.22137	6.5
79.05510	2.0
81.03414	3.1
81.07064	1.5
83.04968	4.6
86.09698	100.0
87.10022	1.5
91.05461	8.7
93.07049	5.1
95.04962	3.1
101.67046	1.2
105.02645	1.2
105.07030	3.3
106.32854	1.2
107.04931	1.6
107.08629	2.7
109.02865	2.1
109.06491	1.1
111.04426	1.3
113.26520	1.1
117.07011	18.7
119.08564	3.7
119.46381	1.2
121.06483	4.1
121.10154	1.3
123.04405	3.8
128.10684	2.9
131.08539	12.3
132.10204	4.0
133.06491	3.2
133.10081	5.5
135.08037	15.3
145.06500	3.1
149.09621	3.8
151.03883	1.3
151.11139	1.4
159.08026	10.3
161.09502	1.3
163.07536	8.7
175.07608	1.2
177.09122	9.2
179.10808	1.8
181.08633	2.2
181.52937	1.3
187.07565	4.2
205.08597	24.4
244.16969	2.8
246.18503	1.3
248.16443	2.3
262.18005	8.2
272.16443	1.9
276.44800	1.3
290.17480	51.9
291.17844	4.3
295.05859	1.2
308.18549	27.2
309.18802	2.6
336.17950	6.9
345.58075	1.2
355.11539	1.4
355.17361	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.3
57.07063	8.5
67.05503	27.0
69.07048	17.9
70.06597	6.5
79.05475	5.8
81.07051	32.9
83.08595	7.0
88.07617	17.5
91.05456	14.6
93.07019	20.8
95.08595	41.9
98.22690	9.1
105.07016	63.4
106.08643	6.5
107.08568	28.3
109.10153	29.6
110.28487	4.1
112.89784	3.6
114.03507	3.6
119.08567	51.9
121.10111	15.8
123.11708	8.6
131.08554	5.5
133.10100	26.9
147.11667	100.0
161.13263	16.7
163.14774	4.9
183.13560	4.2
192.11388	4.2
203.17937	90.4
204.18239	7.2
220.20535	5.8
336.32553	8.5
354.33575	62.8
373.95007	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	354.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34891	2.7
55.05511	22.6
57.03425	3.3
57.07072	9.5
58.51748	2.6
61.28621	2.8
67.05499	47.0
68.05829	2.5
69.07059	30.8
69.17117	6.1
69.17523	9.4
70.06570	3.9
70.69032	2.3
71.04970	4.8
72.08136	3.3
75.04491	3.3
79.05491	21.6
81.07047	68.6
81.07500	4.1
83.08607	17.3
85.06553	2.9
88.07622	6.9
91.05476	24.8
93.07031	27.7
95.08591	66.4
96.08877	2.9
97.06530	4.2
97.10167	12.4
102.09202	2.7
105.07027	59.4
107.08583	36.5
109.10151	47.6
111.11762	3.4
119.08562	44.7
120.53687	2.6
121.10137	23.4
123.11708	18.8
131.08484	2.5
132.92276	2.7
133.10112	37.1
135.11665	10.7
137.09639	2.6
137.13280	4.9
145.10109	3.1
147.11671	100.0
148.12006	3.6
149.13257	7.8
161.13240	20.0
163.14827	11.5
165.12737	3.0
169.10257	2.3
175.14778	5.7
177.16411	3.1
203.17940	82.9
204.18217	4.9
245.22601	15.4
263.23691	17.3
267.59006	2.4
336.32315	2.7
337.27448	8.5
354.33572	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.5
67.05499	34.4
69.07067	19.2
70.98306	12.5
79.05493	11.7
79.70024	6.4
81.07043	75.2
82.07373	9.8
83.08604	7.6
83.68188	6.4
91.05470	15.3
93.07044	80.8
95.04941	8.9
95.08593	100.0
96.08923	11.5
105.07043	31.0
107.08601	36.9
109.10142	36.6
110.10490	8.2
114.24039	7.0
119.08576	26.3
121.10130	83.5
123.11720	19.8
124.97256	6.5
129.06546	6.9
132.55283	6.7
133.10176	10.8
135.11661	16.0
137.13237	12.2
138.13483	7.3
139.11078	7.3
142.02118	7.2
143.85425	6.5
145.10054	11.8
149.13240	31.7
175.14812	8.9
177.16463	13.7
181.12256	8.0
208.51395	7.0
246.60204	7.4
262.08994	7.0
262.22458	31.5
269.22693	23.5
287.23758	20.2
305.24683	17.4
354.17334	42.0
354.26013	35.9
355.18695	34.9
374.57211	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	354.9416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05023	6.2
50.30839	6.6
56.96563	19.4
65.13837	6.2
69.15405	14.4
69.15812	24.7
98.97573	43.1
116.98654	16.9
139.43452	8.1
149.76886	6.2
175.93164	5.7
177.00916	15.0
182.99925	6.7
196.91805	13.6
201.00856	13.1
216.98726	10.0
219.02007	100.0
230.03630	11.4
232.96574	12.6
234.99829	17.7
243.02130	7.6
261.03085	30.2
274.97491	12.4
313.04767	37.8
331.05927	53.3
332.06363	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	355.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00965	26.0
69.90027	26.7
72.87885	24.5
73.04739	33.6
73.91667	27.5
75.13328	23.1
91.05786	90.5
98.97533	50.1
122.76396	27.6
178.51753	31.4
180.97826	44.0
198.98759	34.4
208.63634	30.7
224.12271	26.9
285.00803	38.9
355.07574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70556	17.4
51.78109	18.3
51.82978	18.7
53.90750	16.7
56.96571	19.3
70.45096	33.3
73.04740	38.3
81.95141	19.4
85.02895	17.9
91.05784	62.1
98.97556	40.8
105.01832	19.9
129.19310	19.3
164.06921	18.6
219.01801	28.0
237.02760	41.0
243.11299	17.4
285.00946	18.1
351.72534	18.3
355.07333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0809
Annotation	Aspertoxin
Peak:m/z	Relative Intensity
50.35104	0.9
50.40558	0.8
55.01875	1.2
55.74999	0.8
67.05506	1.1
69.42544	3.9
73.03593	0.9
79.05498	3.0
79.41854	0.9
81.03413	3.1
81.07021	1.1
95.04982	1.5
105.03416	0.9
107.01295	1.1
107.04973	3.3
109.02869	1.5
114.74533	0.9
115.05450	1.0
117.07066	1.1
123.04322	1.0
127.03902	1.7
131.04904	3.2
137.01283	1.6
137.02344	32.0
137.03465	3.4
137.05960	2.6
138.03145	7.6
141.07031	1.0
147.04340	1.2
151.03899	4.6
152.06274	0.8
153.05453	55.7
154.05783	1.6
160.05185	2.7
163.03905	2.0
165.06987	15.9
168.05659	1.4
169.06490	1.6
176.06187	1.8
177.05577	1.0
177.07022	1.7
185.02362	1.1
186.03108	3.4
187.03882	5.8
191.08501	2.1
193.04836	1.6
193.06444	10.9
197.05960	3.7
201.05510	3.7
203.03310	2.0
205.04868	1.1
205.06511	2.1
209.05762	0.8
211.07573	3.7
213.01805	3.4
219.08076	3.8
221.05946	59.6
222.06395	4.3
223.07484	2.1
225.05444	16.3
233.05943	2.1
237.09059	1.7
238.06128	0.9
239.07034	10.5
245.04454	3.1
249.05452	98.4
250.05998	10.1
251.07094	2.2
253.04930	29.8
254.05464	1.5
255.06406	1.1
265.08603	2.1
267.06506	15.2
268.07178	2.4
277.01910	1.9
277.04956	41.0
278.05655	5.8
279.06396	4.0
281.04395	3.3
295.05997	100.0
296.06400	6.4
305.04492	2.8
311.09158	5.8
320.15775	0.9
323.05478	28.1
323.09216	1.8
327.12112	1.2
355.08090	10.0
355.12296	1.2
355.13025	1.4
355.17242	11.9
372.59299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	18.2
55.98953	15.1
57.07085	18.2
69.56891	14.4
71.42651	15.4
83.08592	27.9
85.06541	26.5
85.37280	13.5
97.25284	13.4
100.11240	100.0
104.13464	17.1
128.07095	13.3
137.05957	20.8
151.07564	33.2
177.05478	14.2
182.15421	21.2
184.16963	70.8
207.21053	15.6
210.14906	44.9
228.15947	24.6
232.01385	14.9
281.07941	28.6
294.12289	19.9
295.06082	18.1
311.23227	52.3
325.14249	20.1
337.14426	26.0
355.09308	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90023	0.6
55.83071	0.6
73.04768	0.9
91.05785	1.8
171.58142	0.6
177.01619	2.9
185.04176	4.2
192.03925	19.1
192.05768	1.1
193.04712	8.0
198.98947	0.7
200.99260	0.6
247.91367	0.6
249.15480	0.7
271.77649	0.6
324.08124	2.9
325.08853	2.3
335.20911	0.7
355.09970	100.0
356.10312	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	355.1151
Annotation	Gliovictin
Peak:m/z	Relative Intensity
71.23671	0.4
71.42616	0.4
74.16267	0.4
88.28546	0.5
156.60762	0.4
182.90578	0.4
209.98300	0.5
218.88130	0.5
281.07834	2.6
293.11469	3.2
311.12439	0.7
337.10410	1.3
340.12161	0.4
355.11481	100.0
356.11746	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	355.1175
Annotation	Seitomycin
Peak:m/z	Relative Intensity
59.09713	1.6
69.08423	9.2
85.86770	1.8
95.08600	2.0
101.83245	1.5
178.07761	5.5
179.08488	2.8
189.06966	12.7
190.07715	5.8
193.10072	3.0
202.07750	11.0
203.08542	20.9
204.09331	22.6
205.09978	4.7
207.08026	2.3
217.06479	3.3
218.07040	2.4
219.08060	2.3
219.11682	10.2
221.09586	4.5
222.10477	1.8
227.51405	1.7
229.10080	7.5
231.08031	30.5
232.08784	23.9
233.09648	5.8
235.07481	4.8
247.11198	18.2
249.09067	9.7
259.07535	20.4
260.08292	9.1
261.09027	13.8
262.06271	1.9
262.09473	1.6
263.07043	5.1
263.10684	7.9
275.10635	13.1
276.07965	3.6
277.08609	17.5
278.09326	18.5
287.07025	20.4
291.10129	33.0
292.10638	3.0
305.08041	35.7
306.08380	2.7
319.09619	100.0
320.09930	7.2
337.10663	13.6
355.14191	4.8
370.69193	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	Glyceofuran
Peak:m/z	Relative Intensity
50.43826	1.0
53.75246	0.9
69.80907	1.2
69.81235	1.8
98.06224	1.0
98.23386	1.3
169.06435	2.3
178.07747	19.4
179.08383	4.8
179.36172	1.2
180.08337	1.3
189.06967	1.3
190.07776	1.3
192.09326	1.4
193.10129	16.1
194.10538	2.9
195.10699	1.6
199.77393	1.0
202.07698	2.2
203.08543	5.2
204.09315	3.0
206.07292	1.9
219.11720	1.3
221.09642	8.3
222.10451	1.3
231.08058	6.7
232.08765	3.6
233.09653	2.5
233.88774	0.9
234.06761	4.2
235.07518	3.5
247.11250	2.6
248.08426	1.1
249.09079	56.4
250.09387	8.0
251.09700	10.9
259.07434	6.3
260.08182	1.7
261.09073	1.0
262.06299	2.5
263.07007	2.1
275.10535	1.2
277.08572	100.0
278.09125	14.5
287.06955	2.5
290.70908	1.1
291.10120	1.9
295.09277	6.3
305.07990	4.5
309.11469	1.9
311.11908	1.3
319.09503	4.3
337.10678	10.6
341.77716	1.2
355.11392	15.4
355.15274	1.3
355.18982	1.0
362.75882	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	(+)-Episesamin
Peak:m/z	Relative Intensity
55.01864	0.6
55.05494	0.7
75.09310	0.3
83.04970	1.1
109.02881	0.5
115.05431	0.4
128.06227	0.7
129.06967	3.0
137.05957	1.2
141.06993	0.9
143.04915	0.5
143.08572	0.4
157.06471	6.8
157.07661	0.6
158.07216	0.5
159.25565	0.4
165.06990	1.3
169.06462	2.2
169.07690	0.5
178.07748	9.1
179.08530	3.9
181.06494	0.6
185.05968	26.1
186.06377	1.2
187.07628	0.4
190.07759	1.2
193.10112	14.7
194.10576	0.8
195.07964	0.6
195.11603	0.4
196.08789	0.6
197.06015	0.4
197.09618	2.9
199.03949	0.4
202.07748	1.0
203.08582	3.0
205.06406	1.8
205.10075	1.1
206.07248	6.7
207.07991	3.4
208.08742	1.0
210.06660	0.4
211.07535	1.3
211.11250	0.9
213.05435	0.8
214.06244	0.4
220.08734	0.6
221.06050	1.1
221.09595	30.3
222.10152	2.9
223.07501	0.5
223.11082	0.7
224.08197	0.4
225.05470	0.6
225.09027	3.5
231.08112	1.3
233.09532	1.0
234.06750	2.2
235.07507	4.0
237.05453	0.9
237.09126	0.4
238.06184	0.5
239.07014	4.4
239.10603	3.2
240.04132	1.1
241.04942	2.4
242.05450	0.4
245.07985	0.6
248.08371	0.5
249.05176	1.3
249.09085	32.0
250.09778	7.7
251.10501	0.9
252.07895	1.9
253.04994	0.8
253.08479	2.0
259.07455	0.5
267.10144	31.2
268.10617	2.4
277.08554	6.1
278.09241	2.2
280.07233	0.9
281.08386	0.7
281.11710	3.3
295.09622	13.8
296.10168	2.8
309.11191	10.8
309.14853	0.6
310.11484	1.2
327.12213	12.7
328.12631	1.1
337.10635	2.5
355.11725	100.0
356.12051	7.7
356.27716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.5
69.07054	0.6
71.04922	0.4
71.43611	0.3
72.67857	0.3
73.04722	0.3
80.36009	0.3
85.02905	0.5
97.06481	0.4
103.05505	0.4
107.08559	0.4
109.06480	0.4
109.67776	0.4
126.01078	0.7
133.10127	0.4
141.01631	0.4
147.04382	1.0
153.07076	0.6
163.03900	0.8
164.89032	0.4
165.07007	0.3
169.06517	0.6
177.01831	0.7
181.06503	0.4
191.14337	1.2
192.14661	1.0
193.08334	0.7
193.14908	1.0
197.05945	0.5
203.03366	6.3
203.05244	0.6
205.04857	0.4
207.04457	0.5
211.02838	0.5
219.13338	0.4
231.02910	0.5
237.00734	0.5
237.05551	0.5
253.04964	1.1
261.40726	0.3
279.04984	1.2
281.04410	0.7
283.06033	0.5
291.04846	0.8
323.09241	0.6
355.13602	100.0
356.13913	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.5
69.07054	0.6
71.04922	0.4
71.43611	0.3
72.67857	0.3
73.04722	0.3
80.36009	0.3
85.02905	0.5
97.06481	0.4
103.05505	0.4
107.08559	0.4
109.06480	0.4
109.67776	0.4
126.01078	0.7
133.10127	0.4
141.01631	0.4
147.04382	1.0
153.07076	0.6
163.03900	0.8
164.89032	0.4
165.07007	0.3
169.06517	0.6
177.01831	0.7
181.06503	0.4
191.14337	1.2
192.14661	1.0
193.08334	0.7
193.14908	1.0
197.05945	0.5
203.03366	6.3
203.05244	0.6
205.04857	0.4
207.04457	0.5
211.02838	0.5
219.13338	0.4
231.02910	0.5
237.00734	0.5
237.05551	0.5
253.04964	1.1
261.40726	0.3
279.04984	1.2
281.04410	0.7
283.06033	0.5
291.04846	0.8
323.09241	0.6
355.13602	100.0
356.13913	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1536
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
69.51250	2.4
78.04678	2.5
79.05490	2.3
91.05470	9.4
95.04935	1.5
103.05440	2.8
104.06229	0.9
105.07026	9.7
106.04177	1.5
107.04934	3.2
115.05452	10.6
115.06217	1.2
117.07011	6.7
118.04179	0.9
119.08568	7.9
123.04393	5.2
124.05175	1.5
128.06223	3.4
129.07007	6.5
131.04924	3.6
132.05702	7.9
133.06467	7.4
134.03651	0.8
135.08058	0.6
137.05939	3.1
141.06973	15.5
143.04912	1.0
143.06032	0.9
145.06456	3.0
147.04494	0.9
147.06857	1.3
147.08031	23.4
148.08276	0.6
149.06023	0.7
151.03894	1.6
152.04631	1.1
155.06076	1.2
157.06477	1.1
158.07217	1.7
159.08073	0.9
160.05194	6.2
161.05965	13.0
167.07022	55.7
168.07414	1.8
169.06465	20.4
170.06882	0.9
170.78929	0.6
175.07526	100.0
176.07899	3.6
186.06688	1.5
187.07454	3.0
189.09071	4.1
191.07001	2.9
193.08580	28.5
201.09050	7.1
219.08173	0.7
231.08165	1.1
247.07619	0.8
263.10611	0.8
291.09982	1.0
293.08124	1.0
309.11118	0.8
323.12750	1.3
327.12186	0.9
355.15347	21.1
356.15845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13168	0.3
69.34500	1.8
85.72299	0.4
91.05552	0.3
107.08618	0.5
110.00535	0.3
110.30243	0.3
117.23370	0.3
120.50965	0.3
131.04909	0.7
132.66896	0.3
137.05966	0.6
141.01410	0.3
142.12250	0.3
151.03886	0.9
175.07564	0.8
200.15671	0.4
205.06439	0.6
221.05995	0.5
222.06737	0.4
249.05304	0.5
250.06195	0.9
251.07187	0.4
263.07095	0.8
265.08490	0.6
277.04819	0.5
281.07941	0.4
293.08127	1.7
309.07510	0.7
323.08984	0.8
337.16083	0.4
352.72137	0.3
355.17236	100.0
356.17566	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	355.1727
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
56.96545	1.1
63.71860	0.4
69.62539	1.0
77.11786	0.3
79.91727	0.3
81.07039	0.4
93.07020	0.4
102.60217	0.4
136.75446	0.3
139.73691	0.3
144.59160	0.3
175.00719	0.5
179.53091	0.3
193.01749	0.8
198.92505	0.4
209.01318	0.4
237.00688	0.6
239.02277	0.8
255.01788	2.4
257.03293	0.7
273.02850	2.0
288.20599	0.4
301.38354	0.4
304.76929	0.4
323.08765	0.4
336.22891	0.4
355.17239	100.0
356.17651	4.9
364.26041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48104	0.1
58.85804	0.1
65.03934	0.4
66.04696	0.2
67.05495	0.3
69.22783	0.7
75.04456	0.3
77.03905	0.3
78.04675	0.3
79.05480	1.3
80.06254	0.5
81.07074	0.3
89.03895	0.2
90.04675	0.8
91.05464	5.7
92.06262	0.2
93.07037	1.4
94.04184	0.3
95.04967	1.0
95.97139	0.1
103.05460	1.4
104.06237	0.2
105.03391	0.4
105.04502	0.3
105.07019	2.2
106.04140	0.7
107.04940	6.3
107.08580	0.5
108.05739	2.7
109.05988	0.1
109.06525	1.4
115.05407	0.9
117.07006	1.1
118.04161	0.4
119.04912	0.4
119.06033	0.6
119.08574	0.4
120.05706	0.4
121.06492	4.4
122.03614	0.3
122.07289	0.3
123.08054	1.8
128.06197	0.5
129.06984	1.1
131.04907	1.7
131.08513	0.3
132.05620	0.2
133.06485	2.6
133.07495	0.3
134.07256	0.3
135.04388	3.3
135.08032	5.2
136.05176	19.1
137.05971	7.8
137.09566	0.3
138.06725	0.3
139.07542	0.7
141.06973	0.2
143.04874	1.1
143.08559	0.3
144.05692	0.4
145.06471	1.6
146.07257	1.4
147.08028	6.0
148.08467	0.2
149.05975	1.6
149.07060	0.2
149.09598	0.7
150.06734	6.3
151.07518	100.0
152.07834	2.9
153.09071	0.8
156.05663	0.4
157.06494	2.0
158.07245	1.0
159.04370	0.3
159.08043	1.5
160.05150	0.5
160.08826	1.3
161.05966	0.8
161.09601	0.8
162.06737	0.5
163.07520	4.0
163.08873	0.3
164.08305	3.0
165.09088	25.1
166.09579	1.0
167.10654	0.2
170.07368	0.1
171.08043	1.7
172.08792	1.0
173.05972	1.4
173.09557	0.3
174.06735	2.1
175.07507	4.0
176.08292	1.3
177.09082	8.4
178.09500	0.4
179.10641	1.2
185.09631	0.4
186.06734	0.3
186.10387	0.4
187.07472	1.8
188.08296	4.0
189.09071	7.7
190.09634	0.5
191.10637	4.1
192.49226	0.1
201.09064	2.7
202.09839	1.6
203.10632	5.3
204.11070	0.4
205.12213	0.4
215.10658	0.4
217.12189	2.4
218.12488	0.1
233.09634	0.1
247.11250	0.1
249.12611	0.1
257.11282	0.3
260.11786	0.2
261.09003	0.2
276.11340	0.2
277.12161	0.5
291.13809	0.7
292.14465	0.6
293.11618	0.3
293.15289	0.1
308.14011	0.4
309.14798	1.3
310.15240	0.2
323.16342	3.3
324.17148	0.8
325.14224	0.2
340.16638	28.2
341.16971	2.1
353.17282	0.5
355.18945	23.1
356.19266	1.6
373.20007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59214	0.2
65.03924	0.4
67.05499	0.3
69.45189	0.7
69.45530	0.3
75.04462	0.3
77.03907	0.4
78.04688	0.4
79.05482	1.5
80.06267	0.7
80.27113	0.2
90.04692	0.8
91.05471	6.3
93.07023	0.8
94.04189	0.2
95.04951	0.8
95.08603	0.2
103.05453	2.5
104.06236	0.2
105.03407	0.3
105.04518	0.3
105.07018	2.3
106.04154	0.6
107.04943	6.8
107.08589	0.2
108.05733	3.5
109.06524	1.2
115.05431	0.9
117.07001	2.4
118.04129	0.5
119.04932	0.4
119.06089	0.3
119.08559	0.6
120.05693	0.2
121.05619	0.2
121.06499	4.5
121.98797	0.2
122.03638	0.3
122.07285	0.2
123.08076	0.9
128.06197	0.6
129.06993	0.9
131.04916	5.4
131.08635	0.2
132.05724	0.3
133.06473	2.7
134.07198	0.3
135.03465	0.3
135.04417	3.4
135.08038	4.2
136.05190	12.5
137.05978	6.5
138.06784	0.3
139.07509	0.5
141.06891	0.2
143.04933	0.4
144.05699	0.3
145.06491	3.2
146.07263	3.3
147.04355	0.5
147.08035	8.4
148.08447	0.2
149.05974	1.6
149.09615	0.5
150.06734	3.9
151.07524	100.0
152.07855	3.5
153.09146	0.4
156.05681	0.2
157.06511	1.1
158.07253	0.7
159.08051	1.0
160.05191	0.2
160.08809	1.5
161.05957	1.2
161.09599	1.6
162.06766	1.9
163.07524	9.0
164.08289	1.8
165.09099	16.0
166.09497	0.7
171.08040	0.7
172.08813	0.8
173.05937	0.6
173.09637	0.3
174.06718	1.1
175.07530	2.5
176.08305	2.3
177.09091	14.9
178.09613	1.0
179.10670	1.5
185.09576	0.3
186.10378	0.4
187.07536	0.7
188.08333	1.6
189.09070	4.7
190.09637	0.5
191.10640	4.8
201.09065	1.6
202.09857	0.9
203.10651	3.8
204.06990	0.2
215.10599	0.4
217.10277	0.3
217.12221	2.4
233.09576	0.2
275.54587	0.2
277.12271	0.3
281.73624	0.2
291.13666	0.3
292.14481	0.3
293.11737	0.2
308.13892	0.3
309.14828	1.1
323.16360	1.4
324.17001	0.8
325.14346	0.2
325.17902	0.2
340.16656	27.8
341.16995	2.3
353.17438	0.4
355.18982	12.6
356.13913	0.3
356.19382	1.3
357.19666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51150	0.5
55.05497	1.8
55.48617	0.5
57.07063	1.1
58.06583	1.0
62.98252	0.7
69.07053	1.5
70.06580	1.6
77.74200	0.6
88.07644	2.5
90.09776	0.5
94.45975	0.5
102.09074	0.6
102.86802	0.6
106.08698	0.7
108.20689	0.6
108.22115	0.6
129.03560	0.6
144.32645	0.6
166.52776	0.6
174.82413	0.6
338.33920	1.0
355.28152	100.0
356.28577	5.8
356.35165	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	35.8
57.03426	7.2
57.07083	9.4
58.06581	2.0
58.38500	2.1
67.05499	62.7
69.06709	3.0
69.07060	35.8
69.82598	1.9
69.82943	5.9
70.06589	16.0
71.08612	6.8
79.05493	19.0
79.14985	1.8
81.07053	70.1
83.08609	26.7
85.10152	2.4
88.07617	17.9
91.05450	14.0
93.07041	24.1
95.08020	4.3
95.08601	57.2
96.08933	2.0
97.06515	7.4
97.10178	17.8
99.08091	2.5
99.26891	2.2
102.09178	4.7
104.45245	2.0
105.07026	10.7
106.08677	7.8
107.08572	17.3
109.10156	29.9
111.11700	5.6
119.08577	12.9
121.06480	2.0
121.10139	19.0
123.08044	2.8
123.11718	14.9
125.13276	2.5
128.56244	2.4
133.10095	12.1
135.11678	8.1
137.09523	2.7
137.13239	8.0
147.11661	8.7
149.13245	8.0
151.14813	6.3
161.13246	12.3
163.14784	11.4
165.16393	4.5
175.14801	6.9
178.61836	2.3
179.17957	2.5
245.22626	30.7
263.23682	24.6
337.27316	16.4
338.34079	6.9
355.16446	4.7
355.28482	4.7
355.33774	3.1
356.35211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
51.68692	1.9
53.03927	2.3
55.05505	36.4
57.03422	7.5
57.07065	14.5
58.06579	1.8
65.03918	2.2
67.05498	59.1
69.07060	40.8
69.15660	5.1
69.16064	9.3
70.06588	15.8
71.08617	9.3
78.33887	1.8
79.05477	21.8
81.07047	78.3
83.04964	2.4
83.08605	30.2
85.10165	7.5
88.07621	16.0
91.05442	13.6
92.36076	1.9
93.07038	24.9
95.04955	3.2
95.08595	65.0
97.06507	9.0
97.10159	21.7
99.08115	2.8
102.09169	3.0
105.07021	10.1
106.08659	8.7
107.08569	16.4
109.10139	35.2
111.08076	4.9
111.11699	7.4
113.09637	7.0
119.08564	11.6
121.10125	25.5
123.11707	18.7
125.09626	3.1
125.13236	2.9
128.70143	1.8
133.10114	15.0
135.11702	13.7
137.13245	10.0
139.11229	1.8
141.12683	3.5
147.11646	12.5
149.13225	13.7
151.11269	1.9
151.14806	8.3
161.13274	9.8
163.14851	10.2
165.16345	5.2
167.14287	2.9
175.14815	10.9
179.17921	5.8
189.16396	6.3
203.18033	2.1
245.22624	38.5
263.23700	35.9
264.24255	2.6
265.25140	2.4
299.25787	3.9
337.27283	18.2
338.33990	4.0
355.28311	10.8
355.33392	3.7
356.35153	100.0
364.22168	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	45.1
55.32588	3.6
57.03427	13.2
57.07064	15.8
58.06587	4.3
66.21733	4.1
67.05158	6.0
67.05496	80.6
68.05834	3.9
69.07059	49.0
69.71362	12.6
70.06580	10.3
70.07376	4.1
71.08621	10.5
79.05476	32.1
81.07053	98.9
81.80984	3.7
82.07362	5.3
83.08602	35.1
88.07612	13.8
91.05482	22.3
93.07038	28.8
95.08597	100.0
96.08943	3.9
97.06532	6.7
97.10176	18.7
99.62747	4.2
102.09164	6.3
105.07005	14.8
107.08572	22.3
109.10150	45.2
111.08090	7.1
113.09633	6.4
119.08562	15.2
121.10130	36.0
123.11723	22.9
133.10143	18.5
135.11682	15.0
137.13214	7.1
147.11711	11.3
149.13245	13.0
150.58942	4.2
151.14778	8.6
161.13213	14.7
163.14780	15.2
175.14796	15.2
189.16388	7.4
204.09372	9.0
219.11595	8.8
245.22595	44.9
247.11226	9.5
263.23645	50.4
265.12222	17.0
298.98550	3.9
319.24454	4.6
336.18262	4.0
337.27396	23.7
355.16541	17.9
355.29105	8.1
355.33978	76.0
356.34247	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	356.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06570	0.6
61.19402	0.6
61.21107	0.5
62.06085	30.3
62.62944	0.5
79.05466	0.8
81.07027	0.5
90.95776	0.4
91.05458	0.8
93.07044	0.5
95.08587	0.5
105.06971	0.9
107.04911	2.2
115.05444	1.0
117.03350	0.8
128.06219	1.2
133.02898	0.5
135.04404	5.7
136.05151	0.8
137.05969	4.5
137.85019	0.5
141.06952	2.2
142.07773	0.6
143.08510	1.4
145.02759	0.7
153.05457	10.7
153.06760	0.8
154.07613	0.7
155.08568	3.5
159.08058	1.2
163.03891	7.5
163.07681	0.5
165.06978	3.6
166.07753	1.1
167.07201	1.0
167.08543	2.5
168.09319	1.1
169.06458	13.6
169.07562	0.8
169.10132	0.9
170.06726	0.7
171.08026	5.3
178.07755	9.1
179.08504	3.8
180.09366	1.1
181.06396	0.9
181.09996	0.6
182.07198	0.7
183.11670	1.5
188.90694	0.5
192.05528	0.5
192.09282	0.7
193.10097	7.1
195.06476	1.3
195.08052	1.2
195.11685	0.8
196.08858	0.6
197.06015	0.6
197.09583	4.2
203.08630	0.9
204.06590	0.8
206.07256	1.3
207.07999	1.9
210.06689	1.2
211.11147	2.6
213.05479	1.1
221.06085	0.6
221.09598	10.4
223.07507	1.6
223.10995	0.7
224.08351	1.1
225.09096	6.3
226.09056	0.5
231.07942	0.6
234.06700	1.5
235.07506	1.8
236.08365	0.7
237.09035	0.7
239.10646	41.9
240.10968	1.8
249.09082	15.5
250.09468	0.6
251.07076	2.2
251.10568	2.8
253.08571	12.8
254.08896	0.9
267.10135	100.0
268.10468	5.9
277.08603	3.4
295.09613	27.6
296.10004	1.9
307.09760	0.5
310.14316	1.3
314.13910	2.7
338.13843	8.0
356.14896	28.6
357.15540	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
54.54928	1.5
55.01865	5.5
57.03430	6.0
58.10539	1.5
59.24737	1.4
61.02924	5.4
64.86048	1.6
68.99773	4.0
69.03421	34.4
69.63864	3.4
69.64250	2.8
70.06564	2.1
71.04980	3.9
73.02330	1.5
73.02916	5.8
73.06552	12.9
81.03408	19.5
82.42638	1.4
85.02897	100.0
85.25533	1.7
87.00821	48.9
87.01324	3.3
97.02882	28.7
99.04441	10.5
105.01859	85.0
109.02865	26.9
127.03907	66.9
127.04861	2.4
129.01810	3.5
137.05974	1.8
145.04944	28.4
159.02873	9.4
189.03938	2.2
209.06010	2.5
213.03914	3.4
221.06012	2.1
229.04974	3.0
231.04968	20.4
237.05394	1.7
239.03636	1.9
249.06110	7.8
265.04849	2.4
356.13394	2.5
357.15164	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	356.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38531	4.5
56.60558	4.7
58.06616	5.0
77.63269	4.8
91.70512	5.3
92.15745	4.6
119.69971	4.6
137.90990	4.5
160.96288	5.2
187.08159	5.4
188.08905	32.2
190.07784	5.9
219.11679	6.0
223.11053	6.1
227.07072	6.5
233.09496	6.5
247.11137	23.8
249.09233	5.8
250.09940	7.8
251.10597	38.6
265.08734	9.3
265.12189	8.3
275.10733	46.3
278.09351	22.7
284.20715	7.9
293.11700	100.0
294.12122	7.4
311.12848	47.1
356.22089	5.8
356.25912	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	356.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62779	0.3
58.06578	0.6
75.04461	0.4
80.20100	0.3
96.22526	0.3
100.11241	0.5
114.09164	0.4
133.43005	0.3
137.05908	0.9
137.69319	0.4
152.15164	0.3
165.06985	0.6
175.07561	0.4
177.09013	0.3
178.07709	0.4
179.08565	0.5
181.06383	0.6
189.06964	0.6
191.08521	3.4
192.09280	0.6
194.07327	0.6
194.50578	0.4
195.08075	0.5
202.07797	0.6
203.08545	0.5
205.10233	0.6
207.08072	3.6
208.08795	3.1
209.05966	0.4
209.09531	0.9
217.06503	0.5
218.07265	1.1
218.77809	0.4
219.08028	3.2
220.08810	7.1
221.09543	2.7
222.06827	0.5
223.07651	0.7
223.11163	5.2
224.08330	1.8
232.08621	0.4
233.09581	3.5
234.06758	0.8
234.10342	0.8
235.07545	5.2
236.08299	14.0
237.09004	3.3
239.10669	3.4
247.07520	1.9
248.08273	2.1
249.05498	0.4
249.09065	2.7
250.09819	2.7
251.10655	19.5
252.07777	2.5
252.10971	1.3
253.08347	0.4
261.09137	1.0
262.09793	0.7
263.07089	1.6
263.10608	2.9
264.07758	2.3
264.10910	0.5
265.08624	0.8
266.09232	0.8
267.10135	8.2
268.10486	0.6
277.08542	2.6
278.09299	1.3
279.10141	36.9
280.07343	1.1
280.10590	2.9
281.08047	0.9
281.11731	1.3
282.12439	1.0
293.11679	1.7
294.12479	100.0
295.09695	37.5
295.12848	7.8
296.10156	2.9
310.11963	46.7
311.12360	3.3
313.14291	1.3
325.14325	61.6
326.14633	5.3
356.18539	13.8
356.23050	0.4
357.18683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.9
55.05483	2.6
55.16697	0.6
57.07058	0.7
62.78205	0.6
67.05470	2.7
68.80479	0.8
69.07060	4.1
71.04979	1.6
73.01138	0.8
75.02687	1.0
77.95944	0.7
79.05490	4.0
81.07043	6.2
83.04978	3.7
83.08573	1.0
85.02903	0.6
85.06128	0.7
85.06539	7.5
87.02651	0.8
88.03951	1.0
91.02136	1.1
91.05477	6.3
93.03417	0.9
93.06543	0.9
93.07040	12.9
95.04933	2.3
95.08127	0.7
95.08601	7.7
97.01109	1.2
97.06492	2.2
99.02665	5.1
99.04424	3.4
99.08056	1.6
105.07018	21.3
107.04918	1.0
107.07930	1.1
107.08585	14.2
109.06505	4.2
109.10153	3.7
111.02650	1.6
111.08016	2.4
113.04180	1.0
114.09119	1.5
115.02124	1.4
115.05429	1.5
117.03663	1.1
117.06977	4.0
119.06067	0.7
119.08571	27.1
121.06474	0.6
121.10141	9.7
122.02729	0.9
122.03605	1.4
123.08016	2.3
123.11662	0.8
125.04208	5.7
129.06973	2.4
131.08575	11.1
133.06458	1.9
133.09195	1.2
133.10121	15.8
135.02657	1.3
135.08034	1.1
135.11633	0.7
137.04231	1.1
137.05966	21.2
137.09549	0.9
139.05704	3.0
139.07495	0.8
142.07796	3.7
143.08577	4.7
144.09299	1.6
145.06410	0.8
145.10121	13.7
146.10649	1.0
147.08005	1.9
147.11693	3.7
148.03355	0.7
149.04178	6.0
149.09575	2.1
151.03867	1.8
151.05766	2.1
151.11137	2.6
153.07216	1.9
153.09027	1.0
155.08507	2.4
156.09290	2.8
157.10110	25.8
158.10577	1.0
159.11682	19.7
160.12080	1.0
161.04123	0.9
161.09578	2.9
161.13199	1.4
163.05702	1.9
163.14809	0.8
165.07289	1.2
165.09044	0.9
167.06956	0.7
167.08812	1.6
169.10120	1.6
171.11673	4.7
173.09569	1.4
173.13260	8.0
173.54855	0.6
174.13603	0.8
175.05704	0.9
175.11188	11.5
175.14812	7.7
177.12703	0.8
181.06572	2.0
182.10873	1.7
185.13214	1.1
189.07254	1.5
189.12726	2.7
189.16373	3.6
190.07718	0.8
191.08882	12.4
191.14316	1.8
193.06735	1.2
197.13297	4.5
199.14806	16.9
200.15512	2.3
203.06932	1.2
205.10338	0.9
207.08388	1.3
207.12053	1.3
215.14281	4.4
216.14476	0.7
217.15851	15.7
218.16435	0.8
227.07156	0.9
231.11977	2.0
235.16936	1.4
237.05339	0.7
249.13060	16.2
267.14105	100.0
268.14352	4.1
283.06085	3.5
297.03955	0.8
310.18326	6.7
320.16800	1.2
327.12076	1.4
338.17905	3.9
339.16156	13.2
340.16571	0.8
356.18863	47.7
357.06213	1.4
357.13248	2.6
357.19223	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	5.3
57.03418	4.8
58.06597	3.7
62.49363	2.2
67.05492	4.1
69.03424	3.2
69.07060	2.3
70.06627	2.5
71.04981	3.9
71.41287	2.0
77.37837	2.0
79.05489	1.9
82.04066	3.0
84.05620	6.2
85.02910	10.1
85.10165	4.7
90.03454	2.8
95.08601	38.4
100.03972	2.5
100.99732	2.0
109.02902	2.7
113.09639	44.5
114.09946	2.3
117.03368	3.9
122.03642	2.3
123.08064	2.5
126.01064	4.2
127.01388	2.2
127.03911	2.5
128.00757	100.0
129.01076	4.3
131.10669	67.5
132.10999	1.9
133.07607	5.9
137.05966	6.6
137.08177	2.4
141.09090	4.4
145.02834	6.9
147.04395	2.8
149.05981	2.4
165.07010	2.7
173.08203	4.3
175.09799	3.9
177.05475	13.4
177.11229	14.4
182.08026	4.6
196.04468	8.4
198.06046	3.2
211.05621	14.8
211.07408	3.0
212.82867	1.8
213.07181	6.5
250.06618	7.1
266.09720	2.4
272.11414	4.0
282.09238	3.6
283.05972	4.9
292.07730	15.7
294.09177	6.2
310.08768	53.7
311.08954	3.4
312.10281	20.0
313.10538	2.0
338.08319	4.5
356.09302	47.7
356.17459	5.4
357.10437	5.8
357.15176	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	356.352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99831	0.4
55.05264	0.9
55.05510	10.9
57.07073	2.6
58.06598	1.1
62.06069	0.7
67.05499	0.5
69.07064	8.1
69.22141	1.0
69.22556	1.8
70.06588	16.2
71.08619	0.7
74.06080	0.5
74.74097	0.4
81.70589	0.4
83.08616	4.4
86.06076	0.4
88.07625	18.5
96.42612	0.4
97.10156	1.8
102.09164	4.3
106.08659	9.4
106.46077	0.4
159.52469	0.4
192.71754	0.4
239.39217	0.4
312.32632	0.8
338.34210	5.4
356.35190	100.0
357.35526	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	356.3519
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05506	10.8
57.07073	2.8
58.06583	0.7
69.06709	0.7
69.07059	8.2
69.10085	1.5
69.10503	0.9
70.06584	14.1
71.08613	0.6
74.06071	0.5
81.24410	0.4
83.08608	4.8
88.07622	18.0
91.87202	0.3
93.97668	0.4
97.10149	1.4
98.23542	0.8
102.08512	0.6
102.09171	5.2
104.29665	0.3
106.07976	0.5
106.08659	8.1
111.11766	0.4
137.69221	0.3
144.69724	0.3
148.61740	0.4
163.33026	0.4
312.32593	0.7
338.34113	6.9
339.34494	0.7
356.35175	100.0
357.35544	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.08457	0.4
63.02359	0.5
69.20284	2.6
75.04475	4.7
79.05476	5.0
81.07061	0.7
89.03906	8.1
91.05472	1.8
91.56810	0.4
95.04951	1.1
105.07033	0.7
107.04946	5.5
116.77776	0.6
117.03368	5.4
117.48550	0.4
119.04868	0.7
120.02071	0.6
121.02844	1.7
122.03626	1.4
123.04415	2.2
135.04395	7.2
137.02310	7.8
137.05956	2.0
138.03120	7.5
145.02855	3.9
147.04376	2.1
149.02332	1.1
150.03123	3.4
151.03836	0.4
152.04637	1.0
153.05452	100.0
154.05791	3.0
163.03889	11.8
165.01825	2.7
166.02547	0.5
167.07028	9.4
172.03889	0.7
173.02338	14.8
174.02550	0.5
177.05502	1.0
180.04131	2.4
181.04939	56.1
182.05295	1.6
191.04895	0.6
195.06506	27.9
196.07288	62.3
197.06015	0.6
197.07664	2.4
203.03441	0.6
204.06570	0.8
205.04933	5.0
211.05969	0.7
237.05481	0.7
265.04987	2.3
297.07495	0.7
325.07010	1.8
342.28427	0.5
357.09686	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.3
69.11326	1.5
75.04472	4.5
77.03889	0.4
79.05489	4.0
89.03905	8.1
91.05472	1.3
95.04951	1.2
95.27922	0.3
107.04944	5.6
117.03362	6.2
119.04932	0.9
120.02122	0.4
121.02866	1.2
122.03600	0.9
123.04387	2.0
134.03635	0.4
135.03458	0.6
135.04410	6.5
135.05330	0.2
136.05136	0.4
137.02325	7.6
137.05954	1.3
138.03107	6.9
144.04449	0.9
145.02838	3.1
147.04405	2.4
149.02287	1.3
150.03120	3.6
151.03908	0.4
152.04665	1.3
153.05452	100.0
154.05797	3.3
162.03096	0.8
162.92374	0.3
163.03891	10.6
164.04295	0.5
164.27061	0.3
167.07043	7.5
167.28268	0.3
172.03944	1.4
173.00838	0.7
173.02333	12.6
177.05467	1.2
179.03369	0.3
181.04938	61.8
182.05273	1.5
187.96921	0.3
189.01749	0.3
191.04898	0.4
193.06412	0.4
195.05138	0.6
195.06511	29.2
196.07292	67.6
197.07648	2.6
203.03368	0.4
204.04021	0.4
204.06555	2.3
205.04944	5.1
209.06128	0.3
211.05952	0.4
228.93768	0.3
237.05434	0.6
265.05011	1.8
270.45840	0.3
283.06064	0.3
293.04410	0.5
297.07574	0.5
325.07050	0.7
357.09671	2.6
357.13763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86385	0.8
68.99795	1.0
78.20146	0.9
79.05489	1.9
81.03412	0.9
82.04186	4.3
82.45489	1.1
83.04955	1.0
89.03893	1.9
91.05444	5.4
95.04963	3.1
107.04945	3.5
111.04425	1.4
117.03381	2.0
119.04905	3.6
121.06509	2.6
123.04420	11.1
125.05976	1.6
134.03654	1.3
135.04410	9.5
137.02379	2.4
137.05991	3.7
138.03110	2.8
139.03871	2.0
145.02831	1.9
147.04390	6.4
149.05983	2.2
150.03105	4.5
151.03897	5.3
151.04971	1.4
152.04674	10.0
153.05457	60.4
154.05766	1.0
159.04434	1.3
163.03899	37.9
164.04225	1.7
165.01826	55.4
165.05447	2.2
166.02522	1.3
167.07045	10.4
171.09750	0.9
173.02335	46.8
174.02756	1.5
177.05440	2.7
180.04161	68.3
181.04932	21.1
190.07762	2.3
195.06509	35.4
196.07292	100.0
197.07706	3.5
205.10168	4.2
209.09604	1.4
217.04823	1.2
223.11195	2.1
233.09596	9.5
244.29651	0.9
251.07137	1.4
251.10710	1.8
255.06392	1.2
261.09119	9.0
262.09732	1.3
265.05145	1.2
275.59021	1.0
279.06677	1.4
279.10068	6.1
280.10797	2.3
297.07718	0.9
297.11090	1.4
307.06104	1.8
310.04761	1.4
311.12717	2.1
325.07053	28.4
326.07333	1.2
339.12274	17.0
340.12219	1.2
356.27734	5.6
357.13379	2.1
357.20343	4.1
357.27979	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68436	1.3
64.05537	1.2
67.05465	1.6
68.99772	1.3
70.71281	1.2
71.42461	1.4
79.05475	2.9
81.03403	1.6
82.04198	2.2
89.03896	4.7
91.05464	2.0
95.04956	3.5
96.16799	1.0
105.04553	1.2
106.04178	1.9
107.04935	4.4
111.04458	1.4
117.03392	2.9
119.04909	1.9
121.06467	2.4
123.04428	16.7
125.05974	1.3
135.04393	14.9
137.02313	3.6
137.05986	2.4
137.80939	1.5
138.03154	1.3
139.03897	4.0
145.02840	4.0
147.04410	3.8
149.05948	1.3
150.03087	2.1
151.03902	5.4
152.04703	10.3
153.05455	70.7
154.05807	2.9
163.03896	35.0
164.04353	1.4
165.01826	75.4
165.90399	1.3
166.02174	2.2
167.07047	6.8
173.02339	100.0
174.02705	4.0
177.05434	1.9
180.04167	88.7
181.04865	7.7
195.06516	16.8
196.07285	33.0
196.09019	2.5
200.64474	1.3
262.54504	1.1
279.06540	2.2
325.07062	48.2
326.07385	3.7
356.27744	14.0
357.27951	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	357.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65502	3.6
63.80904	3.4
69.03414	6.4
69.82132	6.9
69.82512	12.1
70.06590	5.9
81.03413	7.2
81.75356	3.3
85.02895	3.7
86.38131	3.7
89.03902	4.1
91.05474	15.1
97.02898	6.1
105.07009	4.1
115.05403	4.7
117.03363	17.5
137.05962	42.4
143.04877	4.5
145.02826	45.7
145.06447	3.9
147.04384	10.1
149.05959	8.7
151.03874	8.1
161.05963	4.1
175.07465	4.5
177.05447	77.7
178.05678	4.6
203.07039	8.1
237.05321	3.7
249.09032	5.0
250.06242	4.0
251.07005	4.9
257.42484	3.8
277.08734	9.7
283.05920	17.9
287.03592	10.6
289.05240	5.8
295.06149	8.7
297.11359	5.4
311.05515	3.9
313.12717	21.5
325.10544	5.1
327.12509	4.6
339.12204	6.2
357.06165	4.6
357.11478	100.0
358.11832	4.8
366.97321	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1177
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
60.25530	2.8
62.43633	2.6
69.25650	16.9
70.06581	7.1
74.06604	2.7
81.03427	2.8
86.09687	4.9
91.05482	4.6
97.02862	2.7
111.05553	10.8
126.01012	2.8
131.04948	3.2
137.05975	18.2
145.02859	7.3
149.05920	3.4
151.03885	2.9
163.03976	3.4
163.07481	3.9
175.07562	3.5
177.05470	11.7
181.05026	3.3
181.06578	5.2
195.06500	4.8
205.06409	6.1
209.05888	4.2
209.44330	3.2
221.06050	3.8
229.04976	4.2
237.05496	7.1
237.66737	2.9
245.06253	3.2
249.05611	3.5
255.06595	5.9
265.04935	8.5
283.05936	22.2
287.03595	20.1
289.05243	18.4
289.08066	2.7
295.06012	3.6
297.03897	4.4
309.11215	3.4
311.05493	9.6
339.12250	7.4
339.19183	7.6
357.06122	5.6
357.11423	20.9
357.15186	100.0
357.24628	6.1
358.15637	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	357.1171
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
54.65502	3.6
63.80904	3.4
69.03414	6.4
69.82132	6.9
69.82512	12.1
70.06590	5.9
81.03413	7.2
81.75356	3.3
85.02895	3.7
86.38131	3.7
89.03902	4.1
91.05474	15.1
97.02898	6.1
105.07009	4.1
115.05403	4.7
117.03363	17.5
137.05962	42.4
143.04877	4.5
145.02826	45.7
145.06447	3.9
147.04384	10.1
149.05959	8.7
151.03874	8.1
161.05963	4.1
175.07465	4.5
177.05447	77.7
178.05678	4.6
203.07039	8.1
237.05321	3.7
249.09032	5.0
250.06242	4.0
251.07005	4.9
257.42484	3.8
277.08734	9.7
283.05920	17.9
287.03592	10.6
289.05240	5.8
295.06149	8.7
297.11359	5.4
311.05515	3.9
313.12717	21.5
325.10544	5.1
327.12509	4.6
339.12204	6.2
357.06165	4.6
357.11478	100.0
358.11832	4.8
366.97321	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
53.49858	2.0
55.05507	4.7
56.05011	1.9
63.97187	2.0
67.05495	6.7
69.03416	2.9
70.06570	5.4
72.08151	2.8
79.05484	7.8
81.03415	13.4
81.07042	7.9
82.05300	8.9
83.06107	20.9
83.08569	2.9
84.04502	8.0
84.08125	2.6
85.02917	9.7
89.03908	7.0
91.05469	7.3
93.07043	2.7
94.04131	2.2
95.04984	5.5
95.08582	3.1
97.02921	2.4
102.05539	2.9
105.07017	5.4
105.37825	1.9
107.04971	1.6
107.08570	3.8
109.02883	3.0
109.06501	3.2
111.05562	95.8
115.05462	2.8
117.03353	13.7
117.07033	3.7
119.08608	3.1
121.10122	3.0
122.03639	3.4
123.04394	2.7
128.00764	4.1
129.01053	3.0
129.07018	2.9
130.05003	8.4
133.10172	1.9
137.05968	51.6
137.07011	3.3
143.04909	2.7
145.02843	28.5
145.06488	2.4
145.10098	2.3
146.77084	1.8
147.04405	5.1
148.06056	3.1
149.05980	7.6
149.09596	6.6
149.43094	2.2
151.03909	20.5
152.07088	5.5
153.05556	2.0
153.06857	2.5
157.06482	3.2
157.10129	2.7
158.10481	2.0
159.11649	1.8
160.05168	2.0
163.03899	5.7
164.07108	4.2
165.05554	3.9
165.06889	2.7
167.07092	2.6
175.03914	2.2
175.07576	4.6
177.05464	49.4
177.06992	4.0
177.08926	2.1
181.05016	3.2
181.06474	11.8
187.07504	3.5
188.01608	1.9
189.07071	2.5
191.08527	2.2
193.12183	6.5
199.07445	3.7
203.07036	7.0
204.06577	2.3
205.06467	6.1
205.08563	3.8
208.05318	2.7
209.05995	5.6
211.13272	8.3
215.06972	2.3
218.16164	2.2
219.04379	2.6
219.08014	6.1
221.05972	7.6
222.06711	5.2
223.07532	3.1
227.07007	8.2
229.04987	2.2
234.06657	2.7
235.07474	3.4
236.08510	2.6
237.05443	10.3
237.09103	2.1
239.06851	3.1
249.05473	6.0
249.09070	4.3
250.06242	6.9
250.14323	6.1
251.07008	3.1
255.06516	8.5
263.06934	4.0
265.04990	10.7
265.08615	5.2
267.06467	5.9
268.07104	2.7
269.08179	2.8
277.08575	3.5
278.05731	6.6
279.06537	3.3
279.10114	6.1
281.04495	2.3
281.08151	2.8
283.06003	50.2
284.06262	4.7
287.03717	5.3
293.04636	3.1
293.08090	7.1
295.06027	10.4
296.06775	3.0
297.03989	5.2
297.07578	3.0
297.11197	6.7
298.08218	3.8
303.16968	2.8
307.09567	2.8
309.11069	3.6
311.05386	9.7
311.09109	11.2
311.12555	3.5
313.12787	9.0
321.18011	13.8
327.12219	5.1
329.10034	2.2
339.05029	3.7
339.08740	11.6
339.12952	10.3
339.19122	100.0
340.19495	4.9
357.05951	15.2
357.11407	44.3
357.15204	6.9
357.20105	4.1
357.24307	2.5
358.11475	3.6
358.18753	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Afzeliixanthone B
Peak:m/z	Relative Intensity
55.01858	3.5
58.63872	2.5
67.05518	2.9
70.65233	3.5
72.70164	2.2
80.51331	2.0
115.69845	2.1
137.05981	8.1
144.05760	3.5
144.77242	2.3
151.03925	35.7
151.05040	5.5
159.08060	7.3
165.07022	4.2
178.07782	2.5
187.07581	2.5
191.08559	5.4
195.08047	2.4
207.08130	3.8
215.06979	13.6
219.08092	5.9
221.05954	3.5
223.11197	6.6
225.05397	4.2
225.09071	2.5
227.07022	8.3
235.07507	3.6
236.04474	3.0
236.08359	4.0
237.08980	2.8
238.06401	2.2
239.06970	2.4
240.07779	26.1
247.07478	4.4
249.09138	3.3
251.07018	5.7
251.10789	9.6
253.04968	3.0
253.08501	6.0
255.06526	4.9
261.09116	2.4
263.07022	7.8
264.04257	3.6
264.07687	4.0
265.08588	3.4
267.10074	4.7
268.07312	58.9
269.07727	3.3
270.08847	4.8
277.08698	2.6
278.05835	2.3
278.09402	5.8
279.06653	3.5
279.10156	10.7
281.08069	5.2
283.09659	59.1
283.13260	19.6
289.08575	2.9
291.06494	6.9
293.08054	4.2
295.09662	4.0
296.10458	2.6
297.07535	3.3
297.10941	3.9
298.08258	5.6
306.08978	15.0
307.09589	16.4
311.09177	68.6
311.12701	10.0
312.09427	4.7
321.11194	22.2
323.08981	2.6
324.09930	4.4
329.13803	3.5
339.12238	100.0
340.12741	7.2
353.23706	2.4
356.27521	5.0
357.13263	32.4
357.20386	9.7
357.27893	3.0
358.13614	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	5-Deoxykievitol
Peak:m/z	Relative Intensity
53.03944	0.6
55.01886	1.4
55.05513	0.9
57.03445	0.5
65.03953	1.1
66.04728	0.4
67.05492	2.8
68.99790	0.4
69.03421	1.7
69.07085	0.5
71.22493	0.3
73.84882	0.3
79.05486	1.6
81.03394	2.0
81.07045	2.1
83.04968	0.5
84.32945	0.4
85.02900	1.2
88.78304	0.4
89.03912	0.7
89.60506	0.3
91.05469	1.7
93.03423	0.5
93.07042	1.0
94.04173	2.8
95.04952	1.1
95.08569	0.5
97.02898	0.6
97.06522	0.4
98.23451	0.8
99.04511	0.4
99.08112	0.7
105.07030	1.6
107.04922	0.7
107.08601	0.7
108.02108	0.5
109.02868	1.1
109.06519	0.7
109.10146	1.1
111.04406	0.5
115.05441	1.2
116.04976	1.2
116.68275	0.3
117.03347	0.9
117.07029	1.4
119.08567	0.7
121.06497	0.4
122.02757	0.3
122.03635	7.1
122.05945	0.4
123.04484	1.7
125.05985	0.5
125.09612	1.1
127.03893	0.7
128.06219	0.4
129.06956	0.5
131.04898	0.4
133.02934	0.3
133.10117	1.1
135.04398	0.5
137.05959	100.0
138.06303	3.3
141.05426	0.6
143.04897	6.8
144.04404	2.2
145.02809	2.0
145.06473	0.8
147.11530	0.4
149.09544	0.4
151.03893	21.3
151.05006	2.2
152.04172	0.8
157.06462	0.6
161.05949	0.5
162.05467	1.1
163.03896	1.1
163.07500	0.3
165.05501	0.5
167.07030	0.5
170.33975	0.4
172.03908	9.5
175.07524	2.4
177.05452	4.9
181.04932	1.5
181.06383	0.4
189.04111	0.5
189.08911	0.5
191.06989	0.6
195.09883	1.9
203.06972	2.7
204.06535	13.6
205.06819	0.6
205.08572	2.3
209.11462	0.4
219.08018	0.5
235.13251	0.4
264.07712	0.5
265.04892	0.6
279.09906	0.4
283.05807	2.5
297.03949	0.4
307.09424	0.6
311.05457	0.7
321.10687	0.6
327.12198	12.4
328.12360	1.0
339.12106	0.8
340.19241	0.5
357.05844	0.9
357.13162	18.4
358.13412	1.5
358.17813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Horsfieldin
Peak:m/z	Relative Intensity
51.02368	0.2
53.03939	0.2
55.01857	0.6
64.48711	0.2
65.03931	0.6
66.04713	0.3
67.05489	0.6
75.20630	0.2
77.03909	0.2
79.05479	0.5
81.03392	0.6
81.07043	0.7
84.56018	0.2
86.09717	0.2
91.05465	0.9
94.04169	1.9
95.04945	0.4
97.02892	0.3
103.05451	0.3
105.03397	0.3
105.07022	0.3
107.04925	0.5
107.08611	0.2
108.02062	0.4
109.02879	0.9
111.04446	0.4
115.05448	1.1
117.06995	0.9
118.87276	0.2
119.08559	0.3
121.06499	0.3
122.03635	7.2
123.04426	0.3
125.06013	0.2
131.04910	0.5
137.05962	100.0
138.06300	2.2
141.05482	0.4
143.04916	5.4
145.06517	0.7
149.05969	0.4
151.03899	13.8
151.04990	1.3
152.04240	0.3
155.15120	0.2
161.06001	0.5
163.03943	0.3
163.07513	0.3
165.06917	0.2
167.06999	0.4
167.50447	0.2
172.03996	0.3
175.07542	2.0
177.05458	0.4
177.09062	0.4
178.07768	0.3
178.36388	0.2
181.06467	0.3
184.90208	0.2
190.07826	0.2
191.06921	0.4
203.07013	1.9
204.06522	0.4
205.06606	0.4
205.08534	2.9
207.08060	0.7
215.07030	0.2
218.07219	0.2
219.10457	0.2
221.06023	0.2
223.07610	0.3
227.07083	0.4
233.05861	0.2
234.06744	0.2
235.07555	0.6
236.04800	0.2
237.09230	0.3
238.06163	0.3
239.06895	0.2
250.06160	0.4
251.07007	0.4
253.08542	0.7
254.09474	0.2
263.07120	0.4
264.07877	0.3
265.08621	0.6
279.06464	0.4
279.10095	0.4
281.08054	0.6
282.08786	0.3
283.05945	1.0
283.10666	0.2
293.08008	0.3
297.04065	0.3
297.07947	0.2
297.11154	1.1
307.09552	0.3
325.10611	1.9
327.12228	11.6
328.12485	0.9
339.08658	0.6
339.12494	0.5
357.13303	21.0
358.13565	1.2
363.06180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	9.7
55.01872	20.0
55.05501	16.7
57.03421	9.2
61.02931	5.4
65.03923	7.2
67.05500	81.2
68.99776	10.1
69.03426	81.8
69.07056	12.5
70.06583	6.7
71.04991	7.1
71.23557	5.0
77.03880	4.2
79.05487	31.4
81.03404	34.4
81.07054	45.6
81.79237	4.3
83.04952	15.3
83.24949	4.5
85.02914	30.8
85.06528	17.0
87.00845	20.9
91.05461	35.1
93.07041	46.9
95.04977	25.6
95.08583	33.4
97.02889	17.5
97.06530	6.2
99.04415	8.2
99.08070	11.9
105.01845	5.9
105.07027	35.0
107.04958	20.0
107.08587	29.7
109.02872	21.3
109.06503	9.6
109.10165	40.2
111.04410	14.2
111.08044	8.6
112.68338	4.2
115.03899	5.9
116.04932	5.9
117.07036	13.9
119.08580	15.9
121.06471	8.2
121.10114	13.6
123.04416	14.2
123.08069	5.9
125.09636	6.9
127.03923	16.9
128.06209	10.3
129.01878	4.3
129.06985	10.7
131.04916	5.1
131.08575	18.2
133.06464	8.8
133.10135	14.6
135.04390	4.8
135.08038	8.7
137.02269	4.6
137.05981	34.5
137.09601	18.3
144.04419	10.4
145.02776	5.0
145.05063	4.4
145.06451	6.0
145.10091	16.8
147.02856	6.9
147.04381	7.2
149.09586	17.9
151.03883	63.7
151.04994	8.9
151.11143	14.0
153.05434	5.1
153.06999	5.0
157.10158	4.6
159.02876	6.2
159.08060	6.0
160.05098	5.5
161.09650	6.4
163.11145	8.9
165.06934	7.7
167.07025	8.3
171.02849	8.3
171.06290	4.5
171.11665	7.0
172.03905	32.0
173.09691	5.0
175.07538	11.7
175.11192	9.2
177.05440	9.2
177.09085	8.6
181.06500	13.7
189.12671	9.6
191.10672	10.1
193.12170	6.2
203.07014	13.5
204.06537	66.0
207.07962	6.5
209.05988	8.2
217.12189	22.2
221.05818	10.3
227.06979	8.3
231.04962	7.7
235.07497	6.5
235.13315	14.1
236.04579	6.3
237.05498	12.2
249.05434	8.7
250.06075	5.1
253.14349	9.1
255.06459	10.3
265.04929	18.6
267.06494	6.2
279.06467	6.7
281.08057	9.0
283.05966	100.0
287.03546	8.3
293.04471	9.0
295.05911	9.8
297.04034	7.8
303.12335	5.3
307.06314	4.8
311.05515	19.2
311.08798	4.6
313.12646	21.0
321.13370	10.3
339.05048	6.8
339.08749	10.9
339.14517	7.6
357.06018	21.4
357.11435	89.3
357.15268	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	357.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17863	1.1
53.49583	1.1
55.05510	13.3
57.03428	2.6
57.07066	3.4
59.04998	2.9
61.79742	1.1
67.05509	7.6
68.97980	1.2
69.07061	11.7
71.04996	1.9
71.08623	1.7
73.06570	3.6
79.05499	3.3
81.07056	49.5
83.04974	8.7
83.08624	5.2
91.05497	1.9
93.07014	5.5
95.04943	1.2
95.08602	30.4
97.06533	1.6
97.10167	2.9
99.08088	8.7
99.56980	1.0
101.06011	18.8
105.07027	4.3
107.08587	7.2
109.06530	3.3
109.10150	10.6
111.11720	1.9
119.07088	1.7
119.08586	6.6
121.10146	4.7
123.08088	2.1
123.11693	9.7
133.10112	5.3
135.11713	4.1
137.13254	13.2
139.11148	2.5
147.11720	6.2
153.12738	3.2
161.13260	2.2
163.14818	1.7
165.12764	6.3
193.19516	4.6
203.17920	8.8
221.18994	100.0
222.19354	3.8
239.20053	28.2
240.20512	1.6
257.21237	2.7
265.45358	1.2
321.24207	2.4
339.25345	1.9
352.60638	1.3
352.96048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50892	1.4
57.65558	1.4
67.89606	1.5
69.71295	6.7
71.79012	1.6
114.84601	1.5
142.37054	1.5
157.11644	1.6
163.03867	2.2
196.03699	100.0
197.04056	3.0
221.05896	2.4
245.53276	1.5
249.05383	2.3
249.25897	1.5
267.06360	2.6
295.06113	6.0
356.46774	1.7
358.08978	58.7
359.09155	3.1
367.74710	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67780	0.6
62.09899	0.6
69.62015	2.4
77.23426	0.7
84.88215	0.7
87.76331	0.7
92.78466	0.9
98.23473	1.4
110.44621	0.8
126.62173	0.8
141.41661	0.7
165.06905	0.9
167.08566	1.8
179.08572	1.4
180.09280	1.0
185.09583	1.0
194.10869	1.0
195.08037	1.2
209.13269	1.5
219.11601	0.8
222.06769	1.6
222.10318	1.9
223.07512	12.2
235.07483	1.9
235.11157	1.2
236.08292	3.2
237.08929	1.3
237.12758	1.6
247.11154	2.7
250.09877	3.2
263.10715	1.5
265.12213	37.9
266.12518	3.4
283.10284	0.9
283.13293	2.8
291.10098	0.9
309.11179	100.0
310.11563	8.0
327.12210	2.7
343.87720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37944	1.8
57.07061	2.5
70.06594	3.3
70.07332	1.8
87.04473	12.7
88.07638	3.9
92.30854	2.4
102.09161	3.7
102.31318	1.9
111.38007	1.8
118.97242	1.9
179.08545	28.0
206.10953	4.2
207.08028	78.4
207.09926	4.2
208.08749	8.8
209.09560	2.6
216.09306	12.2
219.08093	2.3
221.09570	6.0
221.13257	6.2
223.50735	2.2
224.08279	4.1
225.09076	23.3
231.11690	10.9
234.10385	6.3
234.59619	2.4
249.12727	61.8
250.13153	3.1
267.13766	100.0
268.14197	6.1
298.31033	4.6
299.16440	7.5
327.15851	12.9
358.32843	13.0
358.37094	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	358.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78391	0.7
56.40667	0.6
57.07075	7.5
58.06592	5.6
62.57124	0.6
70.50553	1.1
70.50879	0.8
71.08616	3.8
72.07748	1.1
72.08150	19.1
75.98456	0.6
77.77875	0.6
87.04476	3.6
112.25267	0.8
128.72661	0.6
156.17462	5.8
170.19029	2.7
184.20573	7.2
185.27679	0.7
189.12767	1.7
198.22194	2.5
217.12326	1.0
237.12679	0.9
246.24440	0.9
253.85101	0.7
277.14435	2.1
284.29303	0.7
296.33102	26.2
297.33469	1.9
358.36768	100.0
359.36996	9.0
376.92703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.2
55.99696	0.2
57.07073	8.7
58.06592	0.8
62.06069	0.4
70.06586	15.1
71.06933	0.3
71.08624	3.8
85.10159	1.5
86.06045	0.2
88.07623	17.8
89.07964	0.4
92.20421	0.2
102.09168	5.1
106.08656	9.7
177.62767	0.2
296.33139	0.4
314.34158	0.9
318.73209	0.2
340.35693	7.5
341.36166	0.5
358.36755	100.0
359.37088	8.8
371.36267	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	14.4
57.49735	2.5
69.17570	10.6
69.17969	6.3
91.05730	2.9
95.13643	2.6
98.22738	6.0
98.97578	95.7
115.97720	2.4
116.98622	47.1
134.99680	12.9
147.04485	2.9
172.94321	15.8
174.93947	3.4
174.97583	13.9
177.00948	4.5
190.95430	11.3
192.98721	8.6
198.97678	5.0
208.96486	4.4
210.96017	3.8
214.95570	10.3
216.98726	36.3
219.02097	4.4
232.96573	38.6
234.96120	5.8
234.99747	66.9
235.99863	3.7
250.97543	19.9
251.94664	4.4
252.97005	5.6
256.02280	3.8
256.96613	18.1
258.99692	22.1
261.03036	6.5
274.94772	3.0
274.97653	49.7
275.97736	3.8
277.00778	25.3
292.95062	8.8
292.98618	10.7
293.95651	6.9
298.94360	5.3
298.97723	62.3
299.97937	7.3
316.95084	28.7
316.98816	97.8
317.98889	9.3
334.96069	33.0
334.99866	4.4
340.98792	36.7
341.98795	6.2
345.35574	3.2
358.99869	100.0
359.99997	10.9
376.97330	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	358.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14293	2.5
56.96561	10.3
61.06693	2.5
62.98391	2.6
70.90689	2.6
74.81026	2.8
84.33504	3.0
98.97579	100.0
116.98625	55.5
119.01938	3.1
133.01727	2.5
134.99663	23.8
172.94337	7.5
174.97682	10.7
177.00922	15.2
179.00909	4.6
182.02373	3.6
190.17018	3.2
190.95395	6.2
191.02501	3.7
192.98711	8.1
198.97630	3.2
200.03453	11.1
201.00941	4.2
203.02541	5.4
214.95682	4.9
216.98691	33.7
217.98869	4.1
219.01996	20.3
219.03914	3.6
220.02078	4.6
221.01822	10.4
222.01837	4.3
223.01500	19.3
229.02396	3.4
232.96519	23.6
233.03600	10.9
234.03215	5.2
234.99748	58.8
243.02071	10.2
247.03525	28.8
250.93916	3.1
250.97551	15.4
255.02078	3.3
256.96631	13.9
258.99850	25.1
261.00174	5.6
261.03055	26.3
262.03201	10.4
263.02859	9.9
265.02768	8.2
270.98996	3.6
274.97647	39.4
276.04883	3.3
277.00858	22.9
278.00940	2.8
279.00964	3.6
283.00061	4.5
284.99805	6.7
292.98877	7.2
293.95758	6.6
298.97806	46.7
299.00882	4.0
299.97925	5.0
301.01074	6.9
302.01126	4.2
303.00903	10.5
316.95035	22.1
316.98813	70.7
317.02045	4.1
317.04694	5.5
317.95364	5.0
317.99020	9.1
334.96054	23.2
335.05527	18.3
340.98782	37.8
341.02603	4.9
358.99710	65.4
359.03387	10.3
360.00107	9.4
376.97000	6.4
377.00998	7.1
377.07816	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	359.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04462	0.2
53.39770	0.3
55.05499	0.3
55.54734	0.2
63.02348	0.4
64.90928	0.3
67.01658	0.2
69.07061	0.6
79.05488	1.7
81.07026	0.3
82.10786	0.3
84.15567	0.3
86.09711	2.2
87.10026	0.4
89.03909	11.4
94.54696	0.3
95.04953	1.0
107.04951	2.4
115.05423	0.4
117.03368	12.5
122.32256	0.3
123.04454	0.5
131.04900	0.3
135.04407	25.5
136.04807	0.4
137.02332	0.5
145.02841	15.1
145.03857	0.6
146.03171	0.6
147.04404	0.4
157.90773	0.3
161.05908	0.5
163.03888	100.0
164.04210	3.3
213.12451	0.3
219.29039	0.3
221.05968	0.7
245.18515	0.4
249.05363	0.9
261.00250	0.3
267.06299	0.3
277.04913	0.9
295.05981	1.2
313.14264	0.4
323.05508	0.3
341.13834	0.4
359.14822	0.7
359.23154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.076
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02370	0.5
69.07082	0.6
71.75843	0.3
79.05490	1.8
81.88610	0.3
84.44452	0.3
86.09727	0.4
89.03912	10.3
89.04465	0.5
91.05526	0.3
95.04966	0.7
97.27138	0.3
107.04950	3.2
117.03374	11.8
118.03667	0.3
123.04431	0.7
135.04410	23.8
136.04727	0.6
137.02312	0.3
137.06047	0.5
145.02841	13.7
146.03169	0.5
161.06018	0.3
163.03894	100.0
164.04245	2.4
165.06975	0.4
177.05498	0.7
181.04929	0.7
182.17374	0.3
221.05977	1.9
239.07024	0.7
249.05504	1.6
267.06506	0.8
269.08090	0.4
277.04938	1.1
295.06018	2.3
296.06573	0.3
313.06998	2.3
313.10687	0.9
313.14041	0.6
325.63080	0.3
327.12283	0.4
341.06448	0.3
341.13986	0.5
359.08096	0.3
359.14865	1.3
359.23456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
69.44261	2.7
70.50856	0.8
79.05479	1.0
80.75093	0.8
86.09718	1.3
89.03944	1.2
91.05473	2.6
93.03434	1.0
95.04973	1.6
98.23415	1.7
103.05477	1.5
105.03371	2.2
105.07026	1.6
106.04345	0.8
107.04938	1.1
111.04430	1.7
115.05454	11.0
117.03402	2.2
123.04409	9.2
131.04958	1.2
133.02866	2.9
133.06514	2.3
135.04427	3.8
137.02400	5.2
137.06044	1.6
139.03903	2.9
143.04910	3.6
145.02869	1.5
147.04416	10.8
149.06047	0.9
151.03864	1.2
153.25011	0.9
157.02805	1.1
158.14600	1.0
159.04425	5.2
160.05197	1.5
161.05957	16.7
162.44305	0.9
163.03893	16.3
165.06975	4.5
167.08549	0.8
173.05914	1.0
175.03888	9.0
176.06209	1.8
177.06972	5.6
179.03371	4.9
181.05002	1.7
181.06480	1.8
187.03778	4.5
193.06496	3.7
195.02917	1.0
195.08122	2.1
197.06075	0.9
203.03404	4.0
205.04913	2.3
205.06516	12.3
206.06952	1.0
211.07549	3.6
221.05949	56.6
222.06451	3.2
223.07532	20.9
224.07878	1.3
231.02849	1.7
233.06017	6.4
234.06577	1.1
239.07004	8.8
249.05461	44.1
250.06030	2.7
251.07025	17.8
252.07585	1.1
255.50952	1.0
257.08356	1.7
266.05743	2.5
267.06512	26.3
268.07071	1.3
269.08023	6.9
277.04968	18.4
278.05508	1.8
279.06482	9.2
285.07526	8.6
295.05984	100.0
296.06311	8.3
297.07538	5.4
313.07004	10.6
314.07315	1.0
323.05450	1.0
341.06555	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	359.076
Annotation	Epiphyllic acid
Peak:m/z	Relative Intensity
61.74723	0.8
63.70184	0.8
65.03899	0.9
68.99783	0.9
71.23496	1.2
78.24747	0.8
85.87684	0.9
89.03904	1.1
91.05483	4.4
93.03395	1.4
96.03937	0.7
103.05482	1.6
105.03378	2.0
105.07007	1.7
111.04445	2.3
115.05441	13.0
117.03400	1.0
119.04903	1.1
123.04424	9.9
131.04900	3.0
133.02843	1.5
133.06490	3.9
135.04422	1.2
137.02330	5.6
139.03848	1.8
141.03401	0.9
143.04919	4.9
145.02837	0.9
147.04391	14.0
157.02834	2.7
159.04462	4.6
160.05197	3.4
161.05968	17.0
163.03908	8.2
165.06995	5.1
167.03481	0.8
175.03903	10.7
176.06232	3.6
177.05464	1.4
177.06972	8.0
179.03365	3.2
179.74789	0.7
181.04977	1.1
181.06453	2.3
183.08018	1.1
187.03751	5.6
191.03394	1.2
193.06487	4.6
195.02916	1.6
195.08043	1.5
197.05942	1.6
203.03278	5.7
203.04956	1.1
205.04881	3.5
205.06523	16.1
206.06970	1.0
210.06679	1.2
211.07515	2.9
220.05141	1.2
221.05956	65.5
221.76465	0.8
222.06340	3.4
223.02449	1.1
223.07529	23.5
224.07918	1.2
231.02863	1.9
231.86395	1.0
233.05949	8.7
234.06555	0.9
239.07034	9.3
249.05470	47.2
250.06012	4.1
251.07018	17.6
252.07423	1.1
254.55145	0.7
257.07996	2.2
266.05685	2.9
267.06509	31.3
268.07086	3.0
269.08060	7.8
277.04926	18.4
278.05667	1.9
279.06564	9.8
285.07535	7.5
295.05991	100.0
296.06299	6.8
297.07495	6.6
313.07092	11.4
341.06497	6.5
359.16629	1.6
374.82889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02395	0.5
69.07061	1.1
79.05463	1.7
81.07047	0.5
89.03375	0.7
89.03912	10.9
95.04963	0.5
107.04929	3.0
117.03372	12.1
117.04205	0.8
117.64007	0.3
118.03713	0.6
123.04399	1.1
133.02861	0.6
135.04405	23.3
135.11667	0.4
136.04694	0.6
137.02290	0.3
139.03879	0.6
145.02843	14.1
145.03894	0.5
146.03207	0.5
147.04361	0.4
153.12677	0.4
161.05992	0.4
163.03889	100.0
164.04184	2.8
165.07030	0.5
211.07417	0.5
221.05939	2.6
239.07010	1.1
249.05467	3.6
257.08179	0.4
267.06543	0.9
272.77441	0.3
277.04929	1.9
285.07779	0.3
295.05945	6.0
313.07004	1.2
323.05383	0.4
341.06653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02347	0.7
65.52410	0.5
71.43816	0.6
79.05479	1.9
89.03909	10.3
89.35040	0.5
91.05469	1.0
95.04959	1.0
103.05443	1.9
107.04967	3.0
117.03375	11.8
119.04920	0.6
131.04930	3.2
135.04411	21.4
137.02318	1.0
139.03883	1.1
145.02835	13.3
145.03935	0.9
147.04445	0.7
163.03888	100.0
164.04211	2.1
165.06923	0.9
179.03369	1.0
181.04933	6.7
193.06483	0.9
197.06030	0.6
205.06403	0.6
221.05936	4.2
239.06926	1.4
243.06451	1.2
249.05446	6.3
250.05771	0.6
255.06503	0.9
267.06668	3.1
270.23373	0.6
277.04996	3.4
285.07587	0.8
295.05997	8.3
313.07019	2.4
341.06387	1.2
359.14661	0.7
361.33536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1123
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
52.03285	0.3
52.83969	0.3
56.06847	0.3
61.00082	0.4
67.43836	0.3
69.98275	0.6
69.98677	0.7
73.89735	0.4
84.86426	0.3
90.85995	0.3
98.22609	0.3
132.05731	0.4
133.06488	0.6
135.04388	4.4
135.59436	0.4
137.02322	0.5
145.06445	0.8
155.33862	0.3
159.36880	0.4
161.06013	0.8
180.38686	0.3
193.01378	0.4
196.05168	0.6
197.45935	0.3
199.07547	0.8
201.05437	1.6
211.07486	0.9
213.05560	0.4
213.09157	0.4
224.04688	0.6
224.08269	0.4
226.06198	0.5
227.07063	1.3
237.05521	0.6
239.07147	0.5
240.04076	0.3
240.07722	0.4
241.08557	1.2
245.08081	1.4
252.07782	0.4
253.05026	0.5
254.05766	0.5
255.06487	7.0
256.06943	0.4
258.05203	4.4
265.04950	0.4
267.03696	0.4
267.06506	5.5
268.04144	0.5
268.07297	1.7
269.08072	3.8
270.08716	0.6
271.06027	0.3
273.07556	0.6
280.07339	1.4
281.04434	0.4
281.08139	0.4
283.05984	25.0
284.06360	1.8
286.04745	2.7
295.05972	9.5
295.09140	0.7
296.06482	1.3
297.07532	5.4
298.08328	7.1
299.05353	0.4
299.08551	0.7
300.06345	0.9
301.07043	23.9
302.07220	1.5
304.13998	0.3
311.05515	3.1
313.07050	1.5
314.07654	0.6
315.08612	1.0
325.07028	7.6
326.07813	20.0
327.08191	1.3
328.05731	1.1
329.06503	3.8
343.08099	19.3
344.08789	7.4
359.11209	100.0
360.11581	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	359.1488
Annotation	Negundin B
Peak:m/z	Relative Intensity
53.03937	1.5
55.01865	3.3
65.03941	7.9
67.05485	3.1
69.03440	1.3
69.07073	1.4
79.05505	1.3
83.08656	1.4
89.03895	1.9
91.05475	3.7
93.03401	2.5
93.07040	1.7
95.04952	1.7
105.07049	2.4
107.04939	7.9
110.03660	4.6
111.04444	6.0
115.05516	1.5
117.03403	2.8
121.02852	25.1
121.06451	1.6
123.04432	2.1
125.06005	6.0
128.06209	1.6
129.07054	1.9
131.04869	2.8
135.04411	5.3
137.05954	2.9
145.02840	3.9
145.06491	2.2
147.07977	1.9
149.02324	7.0
151.03922	1.9
152.06166	2.6
153.05434	8.7
153.06979	3.3
159.08058	3.3
161.06010	4.0
161.09590	5.6
162.06784	3.7
163.03873	21.5
163.05130	1.9
163.31808	1.5
165.06956	6.5
166.07768	2.1
167.07045	2.2
167.08611	4.9
168.05640	1.4
169.06493	3.3
169.36089	1.5
178.07730	3.9
179.08582	2.9
180.05675	1.4
181.04935	8.9
181.06485	6.6
182.07204	5.3
183.08098	4.1
184.08844	2.1
191.08585	1.8
193.06461	2.9
193.10144	1.9
194.07336	4.9
195.08047	13.6
196.08722	2.6
197.05963	10.0
197.09583	4.1
203.08522	2.5
205.06519	3.4
206.07292	4.0
207.08020	3.2
209.05920	6.0
209.09645	4.7
210.06757	13.2
211.07484	7.4
212.08354	6.7
213.09088	2.0
220.08934	3.0
221.05978	3.2
221.09570	8.6
222.06740	4.4
222.10201	2.5
223.07515	16.3
223.11063	2.9
224.08344	6.1
225.05537	3.4
225.09016	9.7
227.07042	7.8
227.10583	3.2
233.05914	2.0
234.06761	2.7
235.07498	4.5
235.11209	1.9
236.08289	2.3
237.09029	10.6
238.06285	7.2
238.09850	8.8
239.06979	11.7
239.10600	3.4
240.07788	33.2
241.08513	6.8
249.05551	2.4
249.09018	8.3
250.09842	1.9
251.07056	6.1
251.10698	2.0
252.07794	7.2
253.08607	53.0
253.12222	13.7
254.09285	10.6
255.06615	6.4
255.10062	11.0
257.08093	6.0
263.07071	1.5
265.08594	6.4
266.05737	2.1
266.09369	9.5
267.06482	3.0
267.10205	6.2
268.07138	7.8
269.08041	13.5
269.10938	1.6
270.08829	5.5
271.13333	2.2
277.08795	1.5
281.08139	9.3
281.11719	12.2
282.08795	3.9
282.11908	1.6
283.06372	1.9
283.09610	21.0
283.12897	2.9
284.10391	10.6
285.08078	2.8
285.11258	8.3
285.14517	2.6
290.94513	1.4
294.08951	2.2
295.06177	2.4
295.09659	4.6
297.07651	4.5
297.10901	2.5
298.08383	5.3
298.11850	2.4
299.12769	23.2
300.09866	10.0
300.13174	2.3
303.15924	1.8
309.11124	12.1
310.11795	5.3
313.06915	3.0
313.10663	51.7
313.14337	29.2
314.10986	3.1
314.14505	2.8
315.12271	3.8
326.11520	2.5
327.12234	100.0
328.12888	13.7
331.15402	12.7
341.13779	27.8
342.14236	2.1
359.14865	90.6
360.15158	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	359.1487
Annotation	CHEBI:70490
Peak:m/z	Relative Intensity
56.83772	1.6
59.04998	98.8
73.02908	5.7
73.55424	1.4
87.04462	100.0
88.71893	1.5
102.09169	1.5
105.05499	2.6
116.16507	1.7
209.09590	2.8
213.05411	2.1
222.02892	1.4
237.09059	4.1
239.10669	1.9
241.04974	2.9
255.06544	4.5
255.10030	3.1
271.13269	2.7
273.11295	3.9
280.11212	1.6
287.12817	3.5
299.12692	4.8
299.16061	2.1
309.11105	2.1
319.13004	3.4
327.12244	42.9
328.12622	2.5
341.13837	5.5
359.14853	4.3
359.21558	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	359.1488
Annotation	Negundin B
Peak:m/z	Relative Intensity
55.98847	2.0
65.03934	10.8
67.01820	1.7
67.05503	2.3
69.07063	2.6
82.04161	1.7
91.05476	4.5
93.03410	2.6
95.04959	3.9
97.06500	1.7
107.04955	7.3
110.03653	6.3
111.04448	4.6
121.02862	24.0
121.06472	1.7
125.05961	9.1
128.06169	3.0
129.06978	3.2
131.08530	2.0
132.20100	1.7
135.04446	2.1
135.08041	1.9
138.05399	2.2
140.29283	1.8
145.06494	3.5
149.02327	6.9
149.06099	2.0
151.03947	3.5
152.06256	4.0
153.05432	10.7
157.06458	3.3
159.08011	5.4
161.06006	3.6
161.09567	2.3
162.06686	2.3
163.03867	4.2
165.06996	8.3
166.07756	2.7
167.07001	3.1
167.08507	4.0
169.06503	2.6
177.07021	3.8
178.07733	4.2
179.08507	4.4
180.05728	1.9
181.04938	12.6
181.06514	8.8
182.07230	7.5
183.08003	3.4
184.08737	2.3
187.07585	2.9
189.06978	2.1
191.08492	2.1
192.09372	1.8
194.07289	6.5
195.08034	14.2
196.08717	1.9
197.05957	9.9
197.09558	3.1
198.06705	2.0
199.07613	2.1
203.08592	2.5
206.07243	3.6
207.08087	4.7
208.08604	2.0
209.05966	3.8
210.06728	13.3
211.07465	10.7
212.08298	6.7
213.08994	3.0
214.06252	2.1
220.08794	2.8
221.05910	4.5
221.09558	9.1
222.06770	5.1
222.10269	3.0
223.07532	16.0
224.08276	8.1
225.05486	4.4
225.09100	9.8
226.06352	1.8
226.09805	2.2
227.07019	9.5
227.10660	2.8
234.06749	2.8
235.07498	4.6
236.08191	2.5
237.05406	2.3
237.09035	13.2
238.06201	12.0
238.09888	7.7
239.06969	10.7
239.10651	3.2
240.07794	34.6
241.08415	6.3
242.05693	2.2
249.09027	8.3
250.09966	3.6
251.07050	8.1
251.10577	3.9
252.07793	6.0
253.08556	54.7
253.12256	15.6
254.09262	9.9
255.06567	5.7
255.10088	12.0
257.08041	7.7
265.08594	6.1
266.09268	8.1
267.06519	4.9
267.10046	7.6
268.07266	8.0
269.08136	12.1
270.08856	6.3
271.09476	2.1
277.08627	2.4
281.08044	14.1
281.11673	17.2
282.08966	4.2
283.06241	4.2
283.09610	21.1
284.10254	9.5
285.07544	2.0
285.11255	2.8
285.14771	3.1
295.09561	6.3
297.07578	3.3
297.11182	4.2
298.08264	5.8
298.11664	3.0
299.12796	24.3
300.09763	10.6
309.11221	12.6
310.11935	4.6
313.10638	52.8
313.14316	32.0
314.11102	2.5
314.14551	2.2
326.11453	3.1
327.12250	100.0
328.12637	10.7
331.15417	15.5
341.13797	27.5
342.14142	2.4
359.14832	66.6
360.15207	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	359.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79321	1.2
55.05506	5.7
55.95821	1.2
60.03836	1.2
62.10408	1.1
65.03910	1.6
67.05513	3.6
69.07068	3.6
69.16278	8.0
69.40503	1.1
72.08148	23.3
72.90220	1.3
73.16444	1.2
78.16747	1.2
79.05483	2.0
79.32146	1.2
81.07059	3.1
82.92706	1.3
83.08607	1.6
85.02937	1.4
85.06532	1.7
89.03922	3.2
91.05483	3.4
93.07048	3.1
95.04986	3.5
95.08644	3.3
97.10143	1.4
103.05459	49.9
104.05788	1.7
105.07004	3.0
107.04968	1.3
107.08564	2.1
109.10174	2.3
111.04433	1.7
111.08089	1.7
115.05479	1.8
119.04974	1.9
123.04422	4.7
131.04916	100.0
132.05240	4.3
133.02840	2.5
133.06499	1.6
135.04408	3.7
135.11554	1.5
137.05965	5.8
139.03900	5.3
145.02864	3.3
147.04373	3.8
151.03893	3.8
152.04712	1.5
160.26450	1.2
161.02301	1.4
161.05989	3.6
163.03885	18.1
163.07524	19.5
165.06950	1.7
178.67024	1.3
197.06082	2.1
211.07433	1.9
221.05989	6.1
225.12666	1.3
239.06949	2.5
249.05463	5.4
250.05978	1.7
251.07137	1.2
257.08072	1.8
267.06613	7.6
295.06097	7.3
295.09003	1.5
313.06970	6.5
313.10440	2.3
324.29041	6.7
341.31674	12.3
355.45938	1.5
359.15005	5.8
359.23355	3.7
359.32635	13.9
359.73303	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61662	2.2
55.01872	12.4
55.54855	2.4
83.01378	2.8
83.51205	2.6
116.77757	2.6
118.30125	2.6
129.07048	6.2
131.18173	2.4
141.06912	3.4
143.08598	4.2
155.08560	4.4
157.06514	5.2
169.10178	8.6
171.11685	5.4
173.06039	4.1
183.04411	3.6
185.05966	3.9
185.09612	3.0
187.07539	3.7
197.06021	8.4
197.09586	3.2
197.13324	3.9
201.05475	8.4
201.09096	3.9
210.10402	3.4
211.07545	6.2
213.09169	4.1
215.06952	3.1
215.10666	3.7
225.09134	10.5
225.12720	15.0
227.07071	7.9
227.10619	27.9
227.14188	6.2
228.11496	3.1
229.04947	46.7
230.05292	3.3
231.13933	4.8
239.10590	3.3
243.06491	24.1
243.13762	14.7
253.08589	10.1
253.12161	22.0
255.13786	8.3
257.08069	8.0
259.13281	5.1
271.10181	4.3
271.13220	35.3
281.11731	30.9
283.13254	36.5
299.12735	65.3
300.13242	6.4
309.11130	4.4
313.14340	35.6
314.14545	4.5
318.08014	15.7
327.02600	7.4
327.12213	100.0
328.12683	7.2
340.75980	2.8
341.13852	7.5
341.21109	5.0
359.22134	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	359.1698
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03938	0.8
55.01871	1.4
57.03424	1.8
59.00690	0.7
61.02924	2.0
62.41929	0.8
69.03436	5.1
69.36189	3.4
70.06585	3.2
70.22047	0.7
71.04993	1.0
72.08135	0.9
79.05497	0.9
81.03414	2.6
81.07040	1.0
85.02904	15.2
87.00830	1.9
91.05452	3.8
93.07043	6.5
95.04951	3.1
97.02887	5.3
99.04449	2.0
105.01823	1.7
105.07018	5.5
107.04922	1.1
107.08589	17.2
109.02849	2.4
109.10162	0.9
115.05450	0.8
117.03374	0.8
119.08572	2.2
121.06491	1.3
123.04430	1.6
123.08065	1.5
127.03962	4.7
127.08733	0.8
131.04889	1.1
133.10124	17.7
135.04420	3.0
135.11682	18.5
137.02376	1.1
137.05951	3.0
137.09644	1.0
143.04936	0.8
145.02840	2.0
145.04944	3.5
151.11180	1.4
161.05942	1.3
161.09615	9.1
163.03880	9.9
165.06931	1.3
179.09029	0.9
179.09447	0.7
179.10651	34.8
197.11716	100.0
198.12157	3.9
221.05954	1.7
223.07574	1.8
233.05814	0.9
239.07004	0.9
249.05501	2.6
251.06987	1.2
267.06549	2.3
279.06342	1.4
285.07523	1.0
295.06046	5.0
313.07098	1.3
327.08652	3.1
328.08984	0.8
359.10428	2.4
359.16568	1.0
384.94516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1851
Annotation	Antibiotic DT 136B
Peak:m/z	Relative Intensity
53.22678	3.5
67.05493	11.4
71.08775	7.8
87.04474	12.9
95.04987	10.7
112.52231	3.6
112.88495	4.3
117.40063	4.5
117.78100	3.8
122.34061	3.8
127.07575	20.6
187.07588	8.3
195.08191	5.0
197.09579	5.2
199.07559	8.0
202.09447	4.3
203.06975	22.7
207.10149	8.8
211.11168	10.8
217.08641	5.0
227.07054	10.7
229.12231	4.7
232.10858	6.8
239.10603	20.5
245.11696	36.3
253.12067	6.4
253.15863	9.0
256.10950	17.5
257.11670	19.2
259.13245	18.6
267.10175	6.1
269.11630	9.5
281.15381	38.3
282.15634	4.6
284.14108	8.7
299.16406	100.0
309.14841	7.3
327.15863	20.8
359.18292	57.5
359.21371	6.9
360.30978	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	359.2187
Annotation	Bengamide E
Peak:m/z	Relative Intensity
69.07066	1.4
70.06575	1.5
88.07622	1.0
107.08573	1.0
119.97951	1.0
137.05783	1.0
230.20412	0.8
259.16599	6.6
271.16653	0.9
271.86685	0.9
273.14487	1.1
358.35776	7.0
359.21875	100.0
359.36334	6.1
360.22153	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	359.2213
Annotation	Velamolone acetate
Peak:m/z	Relative Intensity
53.03949	6.4
55.01869	4.8
55.05518	22.7
57.03430	11.1
57.07088	9.3
65.03930	5.8
67.05498	34.0
69.07069	19.2
70.06583	26.6
70.60072	7.0
72.08150	73.1
79.05488	12.0
81.03410	80.4
81.07048	17.1
83.08632	7.6
88.07674	4.6
91.05463	16.5
93.07046	26.5
95.04961	81.6
95.08603	33.7
97.06520	4.2
98.06050	14.2
105.07024	25.8
107.04935	4.3
107.08592	15.6
109.06486	24.9
109.10149	11.8
117.07038	4.6
119.08583	12.4
120.77356	3.8
121.06487	39.7
121.10146	19.0
123.04429	11.5
123.08062	100.0
123.11703	5.6
125.09550	5.4
131.08534	11.5
133.06473	8.6
133.10126	17.7
135.08046	19.3
140.10725	3.6
142.07802	4.2
143.08589	4.7
145.06483	9.6
145.10120	14.2
147.08047	10.2
147.11690	13.4
149.09622	16.5
149.13217	7.2
155.08597	4.3
157.10048	7.7
159.08022	4.4
159.11682	11.8
161.09645	18.3
161.13239	10.8
163.11148	5.7
163.14876	9.9
165.12692	26.1
169.10048	5.0
171.11644	6.1
173.09605	6.4
173.13248	15.1
174.10341	5.4
175.11211	8.8
175.14835	10.6
177.08821	4.4
177.12772	32.4
183.11668	10.8
185.09673	5.7
187.11182	9.0
187.14871	6.3
189.12648	6.6
191.14247	4.0
197.09654	6.3
199.14841	9.7
201.12657	6.3
201.16249	5.7
202.13579	10.9
204.15089	14.6
205.15883	44.0
208.16922	6.0
211.11227	9.9
217.12177	4.6
217.15837	65.5
218.16153	6.6
225.12857	5.3
229.12267	5.6
229.15976	7.6
238.18228	5.2
243.17320	5.0
255.17433	6.3
257.18906	6.0
262.21667	11.1
271.20517	9.8
281.18954	26.1
299.19989	79.3
300.20557	5.7
358.36197	12.1
359.21979	44.5
359.36871	15.6
360.28864	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	360.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01872	4.3
57.03435	5.0
61.02920	5.9
68.99793	1.6
69.03425	20.6
69.44679	3.0
69.45071	2.8
71.04974	2.5
73.02904	4.5
73.52534	1.3
81.03396	13.8
81.03764	1.2
84.08138	3.6
85.02895	60.1
86.09702	3.4
87.00813	22.3
87.01308	1.4
89.03909	3.7
91.03960	2.5
97.02879	25.2
99.04424	6.5
103.05459	17.0
105.01855	26.1
108.04498	2.1
109.02873	14.7
111.04448	2.4
111.40344	1.3
117.01815	1.7
117.03376	5.2
127.03895	45.1
129.01848	1.8
129.10249	2.5
131.04907	45.9
135.04407	14.6
139.03889	3.9
145.02832	9.9
145.04935	28.2
159.02888	10.9
163.03883	100.0
163.07494	16.1
164.04276	3.9
175.43504	1.3
177.09196	1.8
181.04935	35.5
189.03902	2.2
222.06332	3.3
231.04924	9.7
249.05943	2.0
250.05733	4.0
268.06845	2.1
278.05389	2.7
296.06299	9.6
360.16812	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02367	0.6
65.03905	0.7
65.46567	0.4
68.02832	0.4
69.14090	2.8
70.06579	0.8
79.05478	1.0
84.24668	0.4
85.02892	0.8
86.09750	0.5
89.03909	9.5
91.05437	0.6
95.04971	1.0
97.02837	0.9
105.93959	0.4
107.04952	3.6
117.02560	0.8
117.03367	11.9
127.03899	0.9
135.04404	24.8
136.04671	0.5
137.05994	0.5
139.03865	1.2
139.07596	0.5
145.02840	16.0
148.89813	0.4
151.07516	0.7
152.07068	3.1
163.03888	100.0
164.04227	3.2
167.03412	1.6
177.05418	2.9
181.04927	0.6
181.08484	0.5
194.08153	0.8
198.07613	2.0
360.10580	1.1
361.14722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01875	1.4
57.03442	1.2
61.02909	3.2
69.03425	7.8
69.84695	2.1
71.83254	0.9
72.08150	1.0
73.02907	2.0
79.05479	1.0
81.03403	4.8
85.02895	24.2
86.09715	0.9
87.00803	4.5
89.03877	4.6
97.02879	6.1
98.97594	1.1
99.04434	2.1
103.05478	1.1
105.01857	8.7
107.04954	3.3
109.02876	3.9
111.04470	2.2
117.03351	7.4
123.04344	1.6
127.03909	14.0
131.04962	2.2
135.04395	16.0
137.05975	2.7
139.03880	4.1
145.02853	11.6
145.04942	10.3
159.02863	1.9
163.03889	100.0
163.07570	2.8
164.04216	4.4
166.69080	0.8
180.08760	1.8
180.10207	2.0
181.04933	37.1
181.69212	0.8
182.05243	2.2
198.05298	1.9
198.11247	1.9
225.77354	0.9
231.05035	2.4
249.05943	1.0
269.08096	1.0
293.09033	1.1
302.12906	1.2
360.12927	1.1
360.17020	1.4
361.14566	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
54.17945	0.3
55.01857	2.2
56.15018	0.4
57.03436	2.0
60.80169	0.3
61.02919	2.7
61.03185	0.5
63.02382	0.5
68.99756	0.9
69.03420	10.6
69.67526	1.3
70.06570	0.4
71.01351	0.4
71.04978	1.3
73.02912	2.5
73.03265	0.5
79.05473	0.8
81.02957	0.6
81.03406	7.1
85.02896	33.2
86.03213	0.4
86.09686	0.7
87.00821	8.1
87.04449	0.5
89.03908	3.9
91.03925	1.1
91.05450	0.5
97.02244	0.7
97.02879	13.0
98.23409	0.6
98.97606	0.7
99.04442	3.7
103.05444	6.1
105.01146	0.6
105.01856	12.2
107.04943	2.2
108.04443	1.2
109.02869	6.7
110.24244	0.3
111.04424	0.8
115.03816	0.3
116.68433	0.3
117.01865	0.6
117.03365	6.8
117.06960	0.3
119.67225	0.3
123.04433	0.4
127.03902	20.0
127.08290	0.3
128.04240	0.4
129.01808	1.0
129.11092	0.3
131.04913	14.6
135.04399	15.6
136.04715	0.5
137.06003	0.6
139.03873	1.1
145.02849	12.0
145.04929	13.9
147.02859	0.7
151.07513	0.5
159.02888	4.5
159.11906	0.3
163.03882	100.0
163.07486	5.1
164.04213	3.3
175.07448	0.9
177.09087	5.5
180.08757	0.8
180.10234	0.3
181.04939	39.2
182.05296	1.2
198.11267	0.6
213.03859	0.5
221.11726	0.8
231.04971	4.8
249.05952	1.1
293.09027	0.9
342.13745	0.7
360.17056	0.6
361.14352	1.2
361.18359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95818	1.7
52.11524	1.8
53.03944	10.1
55.01866	8.5
57.03436	6.1
60.04503	2.2
61.02925	8.1
68.99793	3.6
69.03426	27.4
70.06585	3.9
70.60579	3.2
71.04986	8.3
73.02918	9.9
79.05520	1.9
81.03410	30.8
85.02896	100.0
86.03238	3.4
87.00819	35.3
87.04543	2.1
89.03922	1.9
90.16826	1.8
91.05432	1.9
97.02885	53.2
99.04454	15.5
105.01856	35.5
107.04924	2.6
107.08591	2.4
108.04449	9.9
108.08936	2.9
109.02872	37.1
117.01825	4.5
126.05492	3.5
127.03901	81.5
129.01831	5.9
133.10086	2.7
135.04422	5.7
135.84857	2.2
139.07538	4.2
140.07925	2.1
145.02873	3.4
145.04936	48.4
147.02859	4.7
159.02859	26.1
161.05922	2.5
162.10007	2.3
163.03891	20.3
163.07495	1.9
169.85934	1.9
179.10704	4.2
180.11028	4.9
189.03860	2.7
197.11729	8.5
198.12074	13.7
213.03899	3.8
222.06175	3.1
231.04945	15.2
248.07678	2.4
250.05630	2.0
268.06897	3.4
278.05447	2.5
296.06335	6.6
346.12640	2.0
360.13666	3.9
361.14627	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	360.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71931	4.8
56.96552	5.4
61.02904	7.7
66.67450	4.7
67.30715	4.7
69.03412	31.0
69.95148	16.8
81.03427	6.5
85.02899	100.0
91.03963	11.6
94.93007	6.6
97.02879	33.7
98.69748	4.8
98.97583	11.5
99.04470	6.5
101.02376	7.4
109.02835	7.3
116.98598	8.8
119.01885	6.9
120.96595	12.5
127.03909	64.4
130.93240	6.5
136.94022	76.9
138.84918	4.9
141.68527	4.4
145.04951	65.2
146.05173	5.4
148.53694	4.7
163.03819	4.9
163.06035	17.1
174.97618	5.8
180.48569	5.4
190.95320	5.9
192.98668	9.3
198.97662	16.9
216.98682	80.3
220.02011	6.3
222.01726	8.5
228.98676	12.8
232.96417	5.7
234.99637	26.9
240.98744	16.6
252.98804	7.3
258.99747	48.7
259.19241	5.0
262.97668	7.0
267.03342	6.7
270.99643	39.1
277.00888	10.7
278.95157	73.6
289.00711	12.7
301.00757	7.8
319.01810	8.0
341.98694	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	360.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77975	0.6
70.35640	0.6
82.09538	0.5
145.13710	0.6
163.87518	0.7
196.48466	0.5
227.53819	0.6
232.30858	0.6
319.13010	100.0
320.13324	7.1
337.14307	0.6
360.15872	3.1
375.13770	0.6
376.15839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01868	2.7
57.03426	3.4
61.02924	4.7
62.90108	0.8
69.03423	12.5
71.04971	1.4
73.02924	3.2
81.03403	6.6
85.02896	41.2
86.03247	1.0
86.09711	2.2
87.00815	9.4
87.04479	0.9
89.03917	3.7
91.03928	1.1
95.04943	1.1
97.02879	17.0
99.04452	4.9
103.05450	13.1
105.01853	13.1
107.04951	2.7
108.04480	1.5
109.02872	8.1
111.04459	1.8
117.01901	1.1
117.03370	6.4
123.04408	1.0
123.83869	0.9
127.03902	25.1
129.01859	1.1
131.04912	34.0
131.05902	1.8
132.05177	1.0
135.04413	14.3
139.03888	1.8
145.02849	13.1
145.04932	14.0
159.02876	5.0
161.06032	1.0
163.03886	100.0
163.07498	10.4
164.04234	5.7
177.09103	2.7
181.04941	39.9
181.06564	1.3
189.03917	1.1
222.06262	1.3
231.04964	6.4
249.06097	1.1
250.05951	1.7
252.07310	1.4
296.06329	2.4
342.07022	0.9
373.50543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.1
57.07064	2.4
58.99575	6.5
59.04981	2.8
67.05495	9.5
69.07060	19.0
69.17188	14.2
71.04983	25.6
73.06541	3.2
76.02223	18.9
79.05474	26.1
81.07047	98.6
83.08615	8.8
86.99059	5.6
88.02195	3.8
91.05470	16.0
93.07040	52.1
95.04961	4.1
95.08596	41.3
97.10176	3.5
99.08102	3.2
105.00098	5.7
105.07013	35.8
107.08578	59.6
107.09254	4.0
109.10139	33.9
115.31106	2.3
117.07077	2.3
119.08571	52.1
119.09420	3.7
121.10130	11.6
122.02715	81.1
123.11707	18.9
127.11208	12.1
133.10118	42.6
135.04420	4.0
135.11681	100.0
136.12047	3.9
137.13277	2.3
139.03957	2.7
144.22029	2.6
147.11664	23.2
149.13301	9.1
153.12726	36.6
161.13255	9.8
163.03906	9.7
163.14751	3.2
203.17934	37.9
204.18198	2.7
221.18987	9.7
228.68553	2.5
312.25455	2.4
331.73203	2.5
342.20963	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	83.1
57.03431	9.1
59.05000	85.1
65.03925	13.1
67.05501	93.0
67.49470	8.4
69.03436	10.7
69.07059	100.0
69.69370	24.5
71.04975	63.6
73.02912	16.2
79.05477	64.2
81.03407	21.2
81.07047	58.3
83.04974	8.8
83.08614	50.1
88.03978	40.2
91.05456	36.3
93.07046	32.5
95.04971	29.7
95.08607	33.9
96.08253	8.9
96.09219	7.7
97.06514	39.7
97.10168	74.4
98.23405	11.8
105.07027	24.8
107.04942	11.7
107.08592	31.3
109.06548	16.8
109.10153	27.9
111.11427	7.2
115.07566	34.0
117.06968	13.8
119.08566	8.7
121.06512	9.2
121.10132	17.9
123.08146	8.2
125.09602	65.2
131.08545	10.3
135.08057	7.4
137.09587	11.2
145.10164	10.7
149.09598	8.4
153.12840	10.3
159.11729	9.8
173.11775	11.3
178.19029	6.9
189.11206	27.7
212.18268	7.3
223.13295	17.7
237.14836	16.6
262.17834	7.5
273.18454	12.2
274.27438	32.8
275.20047	7.7
360.23700	11.5
361.09155	33.8
361.30612	31.1
377.99234	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	57.7
59.04994	19.1
67.05509	65.6
69.07064	66.1
71.04980	65.6
71.58717	15.8
79.05487	56.7
81.07057	34.9
85.78891	17.4
91.05463	29.2
93.07048	58.4
95.04958	34.3
95.08600	28.9
97.06493	23.4
97.10167	50.0
97.43700	18.2
105.07022	24.4
107.08582	34.4
109.10170	56.5
117.07060	20.4
119.08586	20.1
121.10143	40.6
125.09633	35.8
133.10098	22.8
133.40474	18.7
141.95082	21.4
148.28130	17.8
153.62672	18.6
169.29256	20.4
173.11760	60.4
205.16730	22.7
285.03983	30.9
345.05759	33.6
361.09039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98027	8.8
55.01855	13.6
55.05499	35.6
67.05492	78.8
69.07063	37.2
70.98949	10.1
71.04984	100.0
79.05502	65.6
81.07047	46.8
83.08595	26.1
91.05468	15.2
93.07039	86.8
95.08600	39.2
97.10165	25.4
105.07006	14.9
107.08585	41.6
109.10145	45.1
121.10145	62.5
125.09582	11.9
142.44618	9.5
153.12743	39.9
155.10590	15.3
167.18605	9.2
173.11726	92.9
174.02823	10.4
189.11183	28.6
272.20126	13.7
275.19980	28.2
315.07806	10.4
361.09106	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.9547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26250	2.1
60.39827	1.9
70.10388	4.4
70.10723	2.0
85.02892	3.6
110.75854	2.4
119.01888	3.7
120.96657	6.8
136.81203	2.2
136.94011	100.0
148.60358	2.0
216.98711	4.8
227.17960	2.2
234.99849	3.2
249.02480	6.2
258.99789	2.7
262.97928	2.9
267.03479	6.1
270.99805	2.5
278.95193	88.2
279.95233	5.2
305.08798	3.1
337.02939	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0916
Annotation	Rosmarinate
Peak:m/z	Relative Intensity
53.03956	0.9
57.03430	1.0
59.69093	0.7
63.02388	1.1
65.03928	1.5
69.03417	3.2
69.07037	0.8
70.77330	1.4
79.05482	2.2
81.03401	2.8
83.04946	0.7
85.02912	1.7
86.09711	2.8
87.00793	1.1
89.03912	14.2
91.05476	4.7
93.03394	2.2
95.04916	0.8
98.23331	0.8
99.04448	1.5
105.07050	0.8
107.04967	5.8
109.02856	2.1
111.04436	7.5
111.05561	1.0
117.03384	10.4
117.98211	0.7
122.73606	0.7
126.34625	0.8
127.03884	5.3
128.06180	1.1
135.04402	29.5
136.04744	1.1
137.02299	0.9
137.06000	0.9
139.03894	13.7
143.08559	1.7
145.02835	13.7
163.03889	100.0
164.04247	4.7
171.08076	0.9
181.04938	8.1
190.19142	0.8
199.07530	1.2
206.83704	0.8
238.35458	0.9
285.07495	1.1
315.08270	1.5
326.02661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0915
Annotation	rosmarinic acid
Peak:m/z	Relative Intensity
58.46567	1.6
71.00109	1.8
75.35627	1.7
79.05480	3.4
89.03908	11.2
91.05480	5.9
95.04977	2.9
97.16539	1.7
98.74033	1.5
107.04932	8.7
111.04425	5.6
117.03392	11.7
119.04887	2.5
123.04419	4.7
129.07033	3.5
131.08629	2.0
133.02850	2.2
135.04405	25.6
136.04756	1.7
137.06053	2.6
139.03891	12.6
145.02853	12.2
153.05498	1.9
157.06506	2.5
161.05983	3.0
163.03896	100.0
163.07533	2.6
164.04250	3.1
167.07050	5.5
180.06554	2.8
181.04918	4.9
181.08542	9.0
189.09077	7.0
204.60036	2.0
253.08453	2.2
254.14751	1.8
283.06036	3.0
285.11203	2.7
329.06226	1.6
330.09698	5.0
330.14700	1.6
343.08051	2.0
343.14850	2.4
361.10541	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0916
Annotation	Rosmarinate
Peak:m/z	Relative Intensity
61.23464	0.4
63.02384	0.5
64.61814	0.4
65.03928	3.6
67.13227	0.4
69.23666	0.5
71.03164	0.5
79.05486	2.1
82.43867	0.4
89.03909	8.4
91.05467	3.0
91.98351	0.5
93.03407	5.5
95.04943	0.6
107.04950	7.1
111.03666	1.0
111.04436	17.0
117.03373	9.7
119.04944	0.9
123.04430	1.6
129.61691	0.4
131.04895	0.5
135.04407	35.0
136.04750	0.8
136.06194	0.5
137.05898	1.0
139.03889	32.1
140.04250	0.6
145.02843	11.9
163.03891	100.0
164.04233	3.7
167.20444	0.4
181.04944	19.1
182.05298	0.6
196.07056	0.5
361.08807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0915
Annotation	Rosmarinate
Peak:m/z	Relative Intensity
55.35922	0.3
65.03933	3.4
70.66105	0.3
79.05482	2.1
89.03902	9.1
89.04456	0.4
90.04259	0.3
91.05480	2.8
93.03396	8.0
95.04957	0.8
106.30048	0.3
107.04942	8.2
108.05329	0.3
108.94936	0.3
109.96133	0.4
111.04429	17.8
112.04739	0.4
117.03368	11.1
118.03667	0.3
119.04912	1.0
121.93771	0.3
122.35930	0.3
123.04405	1.9
135.04399	36.4
136.04710	0.9
137.05968	0.9
139.03885	31.0
140.04184	0.8
145.02835	13.6
146.03198	0.5
151.03888	0.4
163.03882	100.0
164.04204	3.4
181.04927	16.3
182.05336	0.7
214.88644	0.4
258.61655	0.3
276.21515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0915
Annotation	rosmarinic acid
Peak:m/z	Relative Intensity
50.82936	0.4
57.92167	0.4
65.30019	0.4
66.52820	0.3
68.99778	0.4
69.64529	1.2
70.84466	0.4
85.71347	0.4
123.04416	0.5
135.04420	1.1
137.02338	3.9
144.79672	0.4
147.04410	0.5
154.02544	0.4
158.37640	0.5
163.03883	0.9
183.02869	0.8
197.05864	0.6
201.05478	0.7
203.03374	2.0
206.48796	0.4
211.03839	0.4
212.04701	0.9
215.03336	0.7
215.06917	0.5
226.06248	0.6
227.06895	0.5
229.04967	1.4
239.03056	0.4
240.04140	0.9
243.06445	1.1
253.04947	0.8
254.05745	0.6
255.06503	0.9
257.04437	7.3
260.03159	3.0
270.05145	1.0
271.06009	3.3
272.06720	0.7
277.57007	0.4
277.60538	0.4
281.04218	0.6
282.05264	1.0
283.05988	5.7
285.03903	21.3
286.04321	1.4
287.05249	0.6
288.02670	1.7
288.08514	0.8
297.03973	1.0
298.04684	1.0
299.05493	4.5
300.06241	6.1
302.04327	0.6
302.10251	0.6
303.04977	20.1
304.05276	0.8
310.04626	0.7
311.05460	10.4
311.09033	0.5
313.03308	1.1
314.04117	0.5
315.04944	0.5
317.06366	0.7
327.04886	5.5
328.05734	17.8
329.06305	2.2
330.03592	0.6
331.04495	3.0
345.06027	21.1
346.06689	7.0
360.22275	0.8
361.09146	100.0
362.09244	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	361.0917
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.79676	0.9
53.13293	1.0
95.04951	0.9
115.71922	0.9
123.04378	1.1
131.07646	0.9
135.04417	4.3
137.05972	1.5
139.03894	2.3
151.03906	1.1
161.05991	1.0
163.03909	8.9
181.04936	1.4
182.08145	2.0
184.05156	1.5
212.04724	1.8
213.05365	1.3
213.09055	2.9
227.84363	1.0
228.04208	1.4
229.04956	2.0
240.04149	5.6
241.04906	1.0
242.05675	5.9
243.06418	5.9
245.04457	2.6
251.14218	1.4
255.06506	1.4
256.03482	1.8
257.04440	4.6
268.03708	3.3
269.04462	1.8
269.15268	1.4
270.01553	14.1
271.02393	3.2
271.05948	32.4
272.06671	5.1
273.03864	2.1
273.07434	0.9
274.04666	1.9
283.03314	1.1
283.05984	29.2
283.09177	2.3
284.06470	2.2
285.03909	100.0
286.04572	16.3
288.06296	2.8
297.14746	1.8
299.05341	3.0
300.02829	2.1
300.06262	34.7
301.07004	16.0
315.08313	1.1
315.16254	2.0
329.06516	92.9
330.06857	6.2
343.08124	18.4
343.11911	2.3
361.09146	37.9
361.14639	44.7
362.09290	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	361.0916
Annotation	Sarothrin
Peak:m/z	Relative Intensity
55.05496	0.7
55.96254	0.3
67.05499	0.5
69.07053	0.4
70.46546	0.3
75.41260	0.3
81.07041	0.4
91.05492	0.3
93.03387	0.4
100.11243	0.8
106.73287	0.3
107.08632	0.3
108.02138	0.8
109.02917	0.6
111.04427	0.3
121.02872	0.7
124.05201	1.3
128.06183	0.4
134.03615	0.3
135.04375	0.5
136.05211	0.3
145.06422	0.4
148.01552	0.7
149.02368	0.9
151.03886	6.4
151.05028	0.7
153.01808	0.5
154.12218	0.5
163.03835	0.7
164.04659	0.8
173.06001	1.1
183.02927	0.7
184.05217	0.6
185.05956	0.3
188.08307	0.7
198.06689	0.5
198.99895	0.3
201.05504	2.8
202.06042	0.4
204.04170	0.4
212.04607	0.5
213.05469	1.1
216.07872	0.6
227.06972	1.8
229.04939	6.6
232.03688	0.4
240.04202	0.5
241.04781	0.6
243.06496	2.4
244.07344	1.6
247.06046	0.9
255.06392	0.5
257.04422	5.0
260.03177	0.7
261.14481	0.4
269.04471	1.2
271.06140	0.5
272.06769	35.2
273.04416	0.4
273.06992	1.9
274.04880	0.3
275.05511	2.0
285.03851	0.7
288.02667	0.7
297.03915	1.1
298.04626	0.4
299.05563	0.4
300.06259	24.5
301.06677	1.4
302.04153	0.7
303.04956	5.5
304.05191	0.4
313.03387	0.6
315.04803	0.6
316.02267	0.7
316.05673	0.5
317.06500	1.4
328.05740	15.4
329.06201	1.5
330.03491	0.7
331.04440	8.6
332.04901	0.4
344.22040	0.5
345.05988	3.4
346.06808	16.3
347.07166	1.0
361.09137	100.0
362.09485	6.3
362.23257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45757	0.8
65.03925	2.8
70.06550	0.9
70.99492	1.5
79.05502	1.3
83.53912	0.9
83.75376	1.0
85.02888	1.0
89.03905	7.1
91.05467	2.3
93.03389	3.3
107.04938	3.8
111.04419	9.7
113.05731	1.3
117.03378	5.7
117.04114	0.9
123.04388	1.1
135.04407	21.4
139.03888	19.8
145.02834	8.3
147.14439	1.0
163.03889	64.1
164.04222	2.1
165.36162	1.1
181.04915	11.2
196.55800	1.1
203.77184	0.9
216.85852	1.2
221.38112	0.9
227.05316	1.1
275.11005	8.4
297.06689	1.7
299.11066	1.7
317.12039	61.8
318.12415	3.1
324.89847	1.0
361.10989	100.0
362.11328	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	361.1126
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.19846	8.8
58.24374	7.8
65.48789	8.0
67.12077	7.3
70.89424	8.3
85.02928	8.7
89.03904	20.5
90.65179	7.5
93.31433	8.5
95.05013	11.6
111.04453	27.0
117.03350	13.5
123.04456	18.5
135.04420	38.2
135.59480	10.3
136.88962	8.1
139.03879	40.3
140.04684	57.6
145.02782	14.0
155.07013	20.5
155.92381	8.0
163.03902	100.0
164.70135	7.9
180.61914	8.0
181.04959	18.5
199.05986	34.1
260.00626	8.1
361.14465	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	361.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55536	0.7
52.26024	0.7
53.03928	0.7
65.03942	5.0
68.39647	0.6
69.03405	1.2
69.56937	0.7
79.05473	2.3
81.03418	0.8
85.02885	1.4
86.48344	0.8
89.03909	8.4
91.05472	3.4
93.03399	4.6
95.04924	0.7
97.83878	0.8
105.03893	0.7
107.04946	7.9
111.04440	17.0
114.64616	0.9
117.03387	9.2
119.04905	0.9
123.04391	1.3
127.36890	0.8
135.04402	35.7
136.04753	1.2
137.05946	1.6
139.03894	25.6
140.04581	1.2
145.02837	12.8
153.05342	1.1
163.03894	100.0
164.04218	3.9
171.06560	1.4
181.04953	37.2
182.05350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2138
Annotation	O-Acetylcypholophine
Peak:m/z	Relative Intensity
52.21621	1.0
52.47061	1.1
54.19338	1.2
55.98492	1.0
63.66063	1.0
68.73548	1.1
70.02100	1.3
70.06585	1.3
76.22960	1.1
80.94836	1.5
88.07603	3.8
108.71455	1.2
111.92464	1.4
119.28955	1.1
120.96641	1.3
126.04214	1.2
132.10065	1.6
151.44814	1.2
215.10587	1.6
230.09499	1.2
248.56604	1.2
321.14600	7.2
361.10501	3.5
361.21301	100.0
362.21753	8.8
362.32556	5.7
378.04611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	15.1
60.22952	1.1
69.50700	3.3
85.02884	2.0
89.03913	1.5
95.53355	0.9
97.02837	1.7
98.23446	1.8
98.97563	15.9
101.75616	0.9
108.05328	1.3
110.97611	1.1
111.04425	3.0
113.55022	1.0
116.98606	8.8
117.03345	1.9
123.04402	3.0
130.93230	2.3
133.37892	1.0
134.99655	4.6
135.04385	4.5
136.04764	2.9
139.03871	2.9
145.02818	1.0
145.04961	1.9
146.03146	1.3
153.39417	0.9
158.99655	3.5
163.03888	10.3
164.04234	8.6
165.05418	1.1
172.94313	11.0
176.03856	2.7
177.00717	3.5
178.05501	1.1
181.04918	2.4
182.05304	1.0
182.25089	0.8
190.95403	14.9
194.04800	1.2
196.06462	1.1
201.04347	2.5
207.07973	1.5
208.08301	1.0
208.96471	6.4
213.53752	0.9
214.95357	21.9
219.01744	1.6
222.04440	1.8
228.95728	1.7
232.96422	100.0
235.07492	2.0
236.07825	1.7
239.06947	1.0
240.07376	1.4
242.93568	1.9
243.05319	2.3
246.96623	5.3
250.97496	58.9
253.10771	1.2
260.94696	8.7
264.97775	1.8
269.95959	2.4
273.98959	1.3
278.95706	12.7
282.08508	1.6
284.27222	1.1
287.96979	20.3
288.97733	7.4
296.96753	2.4
297.12582	1.0
299.10916	1.3
305.98077	13.3
306.98706	2.9
321.08572	1.5
344.13101	2.4
362.02167	23.9
363.02634	1.4
380.03262	92.4
381.03671	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	362.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04070	0.4
75.04474	72.7
76.04828	0.6
98.23443	1.0
143.96794	0.5
186.05362	0.3
201.04092	0.4
202.05006	2.7
210.05495	1.0
211.07318	0.5
212.07086	0.5
216.06483	0.7
217.03680	1.0
228.06511	1.4
229.03641	0.5
230.04451	29.0
231.04793	1.1
238.04953	0.5
240.06564	0.9
244.06046	8.2
245.03255	0.5
253.08557	5.6
256.06137	2.1
257.06644	0.5
258.03958	8.9
258.07004	0.5
258.07773	0.5
259.04132	0.5
270.07565	2.7
272.05502	20.1
273.06277	88.3
274.06622	4.3
287.07809	6.4
288.08630	100.0
289.08969	5.3
300.08694	1.8
302.10202	1.2
327.12378	1.0
330.09845	0.9
350.27109	0.4
362.12317	30.8
363.12579	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01859	1.8
57.03429	2.9
61.02918	4.5
69.03421	8.6
69.31151	2.4
69.31561	4.3
73.02917	2.9
81.03414	5.7
85.02897	42.4
85.03416	2.2
90.99139	1.3
91.03929	1.9
91.05476	1.4
97.02869	10.3
105.07008	4.1
107.04926	1.5
109.02865	2.7
111.04446	1.2
116.98536	1.3
123.04417	100.0
124.04718	2.9
126.01079	1.5
127.03899	7.0
133.06497	10.9
135.04349	2.9
135.75868	1.4
136.04718	2.2
137.05966	29.2
139.03891	3.3
145.04955	10.0
162.07695	1.3
163.03918	4.6
163.05997	1.5
164.04225	3.9
165.05472	65.4
165.09129	8.4
166.05827	1.9
180.08672	4.0
181.05003	2.2
182.05334	1.7
183.06569	9.5
183.10182	6.5
200.09203	1.6
219.55441	1.3
237.00682	1.4
280.06760	1.3
298.07941	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68093	1.8
53.03944	3.2
55.01866	2.8
56.96564	1.4
57.03439	5.2
57.46680	1.3
61.02921	6.4
61.47993	1.3
65.02419	1.5
69.03423	15.9
71.05011	3.5
73.02908	4.0
78.58206	1.6
81.03411	10.7
84.54152	1.8
85.02895	70.3
86.03253	2.6
87.00824	6.4
89.03878	1.6
91.03964	1.8
97.02888	20.6
98.22713	3.4
98.97594	2.3
99.04461	6.5
105.01874	13.5
109.02878	9.1
116.98636	2.1
118.13635	1.4
119.04923	1.7
123.04417	100.0
124.04740	2.4
127.03899	23.9
136.04713	1.6
137.05968	6.1
139.03909	2.2
145.04941	22.4
146.03137	1.7
147.03152	1.9
147.04405	3.9
159.02890	3.0
163.03897	7.1
164.04239	3.4
165.05466	70.7
166.05798	2.1
175.03941	3.3
180.08675	4.1
183.06538	13.7
200.09218	2.5
201.01628	2.5
207.06514	4.0
231.04924	2.8
237.00719	3.0
311.37430	1.5
362.14792	2.3
363.15747	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	362.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.1
67.05476	1.5
71.42768	1.5
75.36409	1.6
96.75817	1.5
98.41657	1.7
165.07031	1.8
179.08653	1.8
197.05850	2.7
210.06664	2.0
211.07547	5.8
224.08246	2.2
225.09113	3.5
235.07539	2.0
253.08588	100.0
254.08943	5.8
267.10220	3.5
288.08755	2.0
327.12228	19.9
328.12836	1.9
330.10138	1.6
362.12524	2.3
362.19638	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	362.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10015	0.7
56.96556	1.0
57.07074	7.0
58.06590	2.3
59.21906	0.9
64.18439	0.6
66.60156	0.8
69.36256	3.3
70.06585	21.4
71.08618	2.1
72.08142	2.3
84.08128	2.7
86.09727	3.5
88.07616	8.9
89.06001	0.7
102.09169	5.1
132.10191	9.8
146.11772	8.6
212.23802	1.9
238.16583	0.7
238.25240	1.5
243.22778	0.8
246.48700	0.7
256.26343	16.9
300.28937	33.7
301.29111	0.9
313.11066	1.2
316.99564	0.8
321.14545	35.6
322.14963	3.8
339.09091	1.4
344.31555	1.6
357.10217	1.6
362.32602	100.0
363.11987	16.1
363.32922	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	362.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	6.4
58.06614	2.3
61.70486	2.4
62.84806	1.9
62.96548	2.0
66.06251	2.0
70.06582	24.3
70.53295	2.1
71.08595	2.4
71.43114	2.4
84.08121	2.8
86.09699	5.3
88.07613	11.1
102.09190	4.6
123.89195	2.2
129.22618	2.0
132.10214	9.8
146.11749	9.1
160.04016	2.8
160.80682	2.2
171.21997	2.0
212.23787	3.4
215.10663	3.1
216.10976	3.5
256.26328	14.5
300.28912	36.1
321.14572	100.0
322.14990	6.0
361.34283	2.9
362.10748	36.4
362.17294	3.1
362.24277	4.6
362.32593	90.5
363.21268	2.8
363.32941	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	362.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77099	2.3
51.09725	2.2
53.83722	2.4
54.50547	2.2
55.54389	2.3
58.39190	1.9
61.02922	6.0
61.86308	2.3
69.03428	12.4
69.40782	8.4
70.57764	2.2
81.03402	5.6
85.02903	45.7
91.03956	2.9
95.19440	2.3
97.02865	12.3
99.04477	3.5
105.07021	15.5
109.02852	6.1
123.04418	75.4
127.03909	8.0
133.06482	36.4
135.04427	7.5
136.04767	3.2
137.05963	100.0
139.03903	4.4
140.04208	2.6
145.04936	13.9
159.52074	2.1
163.03918	7.6
164.04228	9.1
165.05469	59.9
165.09128	30.2
180.08678	7.5
183.06519	9.4
183.10161	28.5
200.09093	2.8
268.44656	2.4
362.15009	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	363.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96415	1.0
56.96717	0.7
71.03871	0.4
92.76522	0.3
97.59387	0.2
98.05910	0.5
98.97376	16.4
98.98100	3.2
101.00730	0.4
110.97375	0.5
116.98403	8.3
116.99316	1.0
119.01688	1.6
122.04432	0.3
124.16298	0.2
128.98445	0.6
129.17706	0.3
131.01744	0.3
134.99425	3.1
136.99922	0.2
137.02818	0.5
142.99966	0.3
143.01729	0.7
146.99483	0.3
158.06621	4.1
158.99644	8.6
161.02937	1.2
174.04218	0.3
175.04373	0.3
176.07668	3.1
177.00708	10.7
178.00929	0.4
185.02760	0.3
186.06120	0.2
188.07555	0.3
194.98355	0.3
195.01540	0.7
200.02184	0.3
201.04105	0.6
202.03914	1.0
203.03870	0.5
210.04568	0.5
214.04025	0.3
216.05545	0.5
217.05492	0.6
218.98502	2.5
219.01758	6.9
220.02052	0.4
220.58888	0.2
222.04486	0.3
226.03955	0.3
228.05617	1.8
229.05701	0.3
232.05034	0.3
234.06621	0.5
234.99660	0.4
236.99341	0.9
237.02841	1.3
237.10603	1.1
238.03899	0.5
240.03839	0.2
240.05632	2.3
241.05797	0.3
242.03427	0.4
242.98419	0.4
243.01915	1.5
243.05251	0.9
244.05144	4.2
245.05153	1.8
246.06728	8.0
247.06760	0.9
252.05508	2.0
254.07076	0.4
255.11777	0.3
256.05099	1.8
258.04257	0.4
258.06720	5.8
258.99490	0.4
259.06717	0.7
260.99573	1.2
261.03098	1.2
261.05649	0.4
263.06555	0.3
267.11841	0.3
268.04910	0.8
269.03122	0.4
269.08206	2.0
270.06641	5.4
271.06772	0.7
272.08194	1.2
272.94180	0.3
272.99435	1.0
273.02655	0.4
274.97366	0.5
277.00769	0.3
277.08737	0.4
279.00650	0.4
281.08350	2.0
281.11145	0.3
283.09808	3.3
284.10022	0.4
291.00656	0.3
292.98346	0.3
293.08249	0.4
295.09836	2.9
297.11288	0.7
298.06265	0.4
303.03909	0.7
303.07401	2.5
304.07831	0.3
307.09915	1.5
309.11475	1.5
311.09354	0.7
313.10907	2.0
315.12149	0.3
319.09683	1.1
321.08350	2.4
321.11426	3.5
322.09723	0.5
325.10889	5.4
326.11151	0.4
327.12488	4.0
328.12552	0.4
333.11432	0.9
334.11661	0.4
335.02695	0.3
335.09332	0.4
337.10910	6.1
338.11060	1.0
339.12482	16.1
340.12604	2.3
340.36520	0.3
349.10858	1.2
351.12473	47.8
352.12616	6.8
363.12482	100.0
364.12643	14.6
381.13681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98775	0.7
59.82551	0.6
59.93217	0.6
65.03930	6.1
67.05495	2.1
68.86863	0.7
69.03403	1.0
78.26298	0.6
79.05470	1.0
81.03406	0.9
82.04188	2.9
85.02892	5.1
93.03396	1.8
95.04977	1.3
97.06516	2.3
99.04418	0.7
108.02056	1.1
110.03641	3.1
111.04410	1.6
125.05975	1.9
129.05460	1.6
137.05952	0.9
138.03087	1.5
142.02606	0.8
153.05444	3.7
161.19655	0.8
167.06996	0.9
171.06490	5.5
181.04935	100.0
182.05261	3.3
291.38666	0.7
345.09570	0.7
363.10501	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	2.1
69.24622	8.4
95.08624	2.2
102.10574	2.1
103.94816	1.9
128.57944	1.9
183.11575	2.1
191.14276	4.2
193.10120	5.5
211.11185	2.9
211.14857	2.1
220.12360	2.0
221.09604	13.2
223.11127	3.2
224.12062	1.9
225.16396	2.8
233.09668	3.8
238.09877	3.0
238.13498	6.9
239.10680	4.0
251.10591	4.3
253.15800	14.6
263.14325	2.5
266.13040	9.9
281.15335	92.1
282.15726	6.0
303.13519	100.0
304.13806	6.6
311.47644	2.0
322.15039	14.7
344.16278	2.5
363.15634	61.9
363.24921	24.1
364.16147	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	363.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55414	0.2
70.50600	0.3
91.05450	1.1
103.97829	0.2
106.17426	0.2
115.05424	1.0
117.05718	0.6
117.06998	1.1
118.06528	28.0
119.06830	0.6
120.28678	0.2
130.06525	0.4
132.08084	2.6
132.27963	0.2
133.08853	1.3
134.09584	0.6
142.06496	1.6
143.07310	2.1
144.04459	0.5
144.08067	11.1
145.08385	0.4
146.05989	44.1
146.09584	1.9
147.06366	1.4
147.10428	0.3
155.06062	0.4
160.07541	0.6
160.11172	0.4
161.11804	0.3
170.05997	3.1
176.14323	100.0
177.14677	4.4
188.07047	30.5
189.07396	1.1
200.10838	0.2
203.70764	0.2
216.13817	0.9
234.14871	1.7
295.13165	0.2
308.75934	0.2
363.20618	20.5
364.20953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
55.05500	2.6
57.03409	1.4
57.07048	1.3
67.05491	9.1
69.03423	3.1
69.07062	31.5
71.04996	1.6
79.05477	8.6
81.07051	15.4
82.24737	1.2
83.04966	3.5
85.06533	18.2
91.05476	19.0
93.07037	11.2
95.04955	10.1
95.08598	6.0
97.06521	4.9
105.04515	1.9
105.07016	40.1
107.04919	3.2
107.08583	10.8
109.06509	5.3
115.05447	3.7
117.07001	11.8
119.04940	1.3
119.08554	17.7
120.08866	1.4
121.06483	5.8
121.10134	3.1
123.08062	1.5
125.05943	1.3
128.06219	15.2
129.07008	14.5
130.07770	4.5
131.04889	1.7
131.08560	22.9
133.06464	5.6
133.10118	13.2
135.08054	4.7
137.05920	2.2
141.07004	4.5
142.07784	9.2
143.08545	44.2
144.09250	2.2
145.06465	7.3
145.08961	2.5
145.10107	48.5
147.08009	12.0
147.11687	5.6
149.09608	8.1
153.06985	2.2
154.07788	1.8
155.06079	1.2
155.08540	13.6
156.09280	4.8
157.10109	26.1
159.08040	2.7
159.11679	14.5
161.09602	18.5
161.13205	6.4
163.11151	3.6
165.06915	5.7
167.10709	1.4
168.09352	1.5
169.10104	4.6
170.10905	4.5
171.08032	5.2
171.11674	8.6
172.08839	1.4
173.09619	27.0
173.13237	3.6
175.11218	3.8
175.14813	3.8
180.09351	4.7
183.11691	2.3
185.09697	2.6
185.13237	28.6
186.13620	1.7
187.11176	4.3
189.09138	1.6
189.12782	4.3
191.10608	9.4
195.11662	9.7
198.10428	2.1
201.12732	4.9
203.14278	11.6
213.12712	30.5
219.13826	2.8
231.13773	100.0
232.14119	4.6
249.14853	9.3
334.29211	1.3
345.20615	2.1
363.21548	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	363.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06783	1.3
54.76592	1.0
61.48595	1.0
69.07089	1.1
71.43331	1.0
83.65431	1.1
89.06057	1.6
121.51672	1.1
122.30697	1.0
141.05211	1.3
157.91888	1.1
161.29372	1.2
241.76520	1.2
245.77074	1.0
291.97781	1.1
355.93259	1.1
363.25021	100.0
364.25284	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	363.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64292	1.1
51.67876	1.1
55.05500	1.7
55.57096	1.1
57.07071	85.2
66.27921	1.3
69.07043	6.4
71.08625	63.4
83.08617	2.2
85.10173	40.2
89.06023	100.0
90.06321	1.2
97.10183	2.3
99.11735	8.6
107.07088	5.8
111.11716	3.3
113.13260	4.7
133.08586	39.2
151.09644	4.8
177.11203	8.4
183.60316	1.4
195.12239	34.3
196.12640	1.5
209.05786	1.2
257.24622	1.9
266.10696	1.2
363.10312	1.5
363.31024	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	364.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17228	31.1
54.63621	23.9
61.53565	27.7
88.78905	24.8
88.91195	27.0
101.36607	28.8
102.01184	28.3
103.04549	25.0
109.58952	31.4
113.32583	24.5
115.94794	27.1
123.04421	62.6
129.68004	24.8
137.06009	56.3
165.05443	34.9
168.06522	86.4
221.30540	25.7
295.05966	100.0
353.51318	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54161	6.9
51.01408	4.9
56.96555	38.3
69.22667	40.0
81.03407	10.4
84.96058	8.1
98.23461	14.1
98.97588	45.4
110.97565	20.2
116.98626	14.1
128.98607	13.9
131.17278	6.2
152.74820	5.9
177.02060	8.2
185.04204	7.9
195.03293	11.7
203.03104	7.8
213.04362	13.7
219.01704	12.1
237.02821	24.7
239.02261	25.4
257.03363	8.7
306.45157	7.0
365.05231	100.0
365.11951	14.0
383.06290	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	365.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10340	0.6
61.01139	1.0
70.10133	1.9
71.57278	0.6
122.33524	0.8
123.30866	0.7
147.04434	0.7
157.12451	0.8
163.03903	2.5
185.04248	3.5
191.08429	0.8
203.05206	1.3
221.02989	1.9
235.07515	1.1
259.05487	0.7
259.08383	0.9
263.04092	1.0
294.51978	0.8
353.06033	0.8
365.08383	100.0
365.12158	20.8
366.08713	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	365.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73238	1.0
54.01239	1.0
55.27036	0.9
69.69220	3.1
75.80342	1.0
88.59473	1.0
122.80620	1.1
124.57198	1.1
177.18855	1.0
185.04196	65.8
186.04535	1.4
193.05591	1.1
203.03123	14.7
251.35938	1.2
278.35706	1.7
292.66940	1.1
314.71713	1.3
355.43161	1.0
365.08389	100.0
366.08655	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	365.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23025	0.9
64.06621	1.0
114.81091	1.1
120.60738	1.0
122.47957	1.3
130.45561	1.0
147.04385	1.7
263.43497	1.1
303.09906	4.7
307.39856	1.3
315.06442	2.1
347.08865	100.0
348.09189	4.8
364.25125	2.2
365.09933	39.1
365.13565	1.6
365.25311	1.4
366.10175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40866	0.5
66.59357	0.5
72.08112	0.5
87.04955	0.5
98.22628	1.1
149.02359	0.8
181.29082	0.5
191.24002	0.6
193.04916	1.4
208.13481	0.6
277.13708	0.5
303.09891	7.0
321.10880	1.9
347.08878	30.9
347.27582	0.6
348.09198	1.1
357.73685	0.6
364.28442	1.5
365.09940	100.0
365.19229	5.1
366.10272	5.2
366.22940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1017
Annotation	Justicidin B
Peak:m/z	Relative Intensity
57.07066	1.7
69.38879	2.8
69.39268	2.2
70.06584	3.6
71.06923	2.0
88.07632	2.3
103.09509	1.4
147.12038	1.0
182.30458	1.0
189.06955	2.5
202.07712	1.8
203.08542	2.3
204.09381	1.8
205.06537	3.4
208.08961	1.0
217.06483	2.6
218.07271	3.5
219.08014	8.5
220.08856	2.6
230.07202	3.2
231.07932	2.4
231.55075	1.1
232.08812	4.4
233.05971	3.9
234.06963	1.5
235.07544	1.3
245.06026	2.6
246.06728	8.2
247.07506	15.2
248.08301	7.2
249.05305	1.8
249.09151	1.8
251.10661	2.0
257.26584	1.9
258.06876	1.7
258.26920	2.5
259.07434	3.4
260.05588	1.2
260.08273	9.0
261.05536	2.2
261.08972	3.4
262.09900	2.4
263.07132	3.3
263.10632	8.8
264.08136	1.1
274.06293	2.2
275.07031	14.9
276.07809	10.5
277.08493	3.3
278.09479	1.5
279.10095	2.7
289.08499	10.5
290.09271	2.0
291.06683	1.9
291.10110	14.9
292.07196	3.1
293.11945	1.5
300.29117	1.7
301.29504	1.2
302.29633	6.2
303.06512	20.7
304.07187	3.4
305.07986	2.6
306.08731	1.6
307.09573	5.6
319.09601	4.4
320.10223	1.3
321.07373	1.4
321.11188	29.2
322.11453	1.8
333.07520	4.3
335.09039	12.6
337.10739	1.1
347.09012	4.5
364.33234	22.9
365.10147	100.0
365.33356	2.7
366.10379	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94648	0.4
69.17182	2.0
71.78927	0.4
82.22638	0.5
98.22755	0.8
116.32409	0.5
185.04193	6.3
203.05237	15.2
204.69289	0.5
236.40395	0.5
365.10489	100.0
366.10855	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	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85254	0.6
73.41139	0.6
86.51958	0.7
98.92017	0.6
101.00870	1.2
107.69348	0.6
119.01940	1.4
131.01936	1.2
137.01962	0.9
141.46796	0.6
143.01852	1.6
155.01903	3.2
161.02997	1.1
163.55460	0.6
173.02982	6.9
185.02898	1.2
185.04218	24.7
186.04535	0.8
194.53548	0.7
203.05255	51.3
204.05649	0.8
215.04010	0.8
245.05109	5.9
275.06082	0.8
305.07092	2.0
365.10519	100.0
366.10883	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	365.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00677	1.3
96.25200	1.4
98.22604	2.1
106.96973	1.3
147.26462	1.3
185.04207	8.9
191.47508	1.5
203.05217	13.0
207.34396	1.3
365.12112	100.0
366.12497	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	365.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58190	0.2
69.36584	0.2
69.70251	0.9
75.88665	0.2
128.76073	0.3
132.25383	0.2
143.74823	0.3
246.85234	0.3
258.36316	0.2
347.08844	6.7
348.09424	0.5
365.13562	100.0
366.13928	6.7
383.14612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18035	1.4
51.49984	1.6
64.97825	1.6
67.05494	2.7
72.10323	1.3
74.17442	1.4
79.05476	3.1
79.67388	1.4
81.07024	2.3
91.05463	2.0
94.63835	1.4
95.08625	2.1
105.07011	2.2
106.98753	1.5
107.08605	1.8
107.97576	1.4
125.05693	2.8
132.04434	2.2
160.19379	1.5
168.73407	1.4
192.06502	3.2
228.60544	1.5
263.12531	16.8
316.08182	1.7
317.09143	2.0
333.12238	6.4
346.74905	1.6
365.10410	2.9
365.22968	100.0
366.23303	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	365.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88755	1.0
56.96548	3.8
58.42827	1.1
69.39703	3.1
69.40095	2.4
76.84431	1.2
80.94869	1.0
98.22686	2.3
98.97585	4.1
103.16261	1.1
116.98617	3.5
134.99641	4.2
155.53369	1.3
156.41417	1.3
170.92294	1.2
181.06595	1.7
185.04112	1.6
195.11719	2.9
203.05394	1.5
223.11182	8.5
235.04518	1.2
236.10606	1.8
248.10667	1.9
262.12125	1.9
263.12973	2.2
264.13879	6.0
265.16052	2.0
276.13815	4.6
290.15509	2.2
291.16174	8.7
298.05078	6.9
299.05408	1.6
306.18478	100.0
307.18887	7.5
316.06177	3.3
320.20151	6.0
341.10730	3.5
348.19556	60.8
349.19946	3.5
359.11649	3.0
365.10379	6.5
365.22198	95.7
366.22470	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	365.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02927	1.8
55.05500	4.5
67.05504	3.6
69.65346	6.7
74.88375	1.6
77.03918	2.0
79.05486	5.1
80.05017	6.4
81.07043	8.7
88.07635	3.3
91.05481	5.6
93.05779	1.8
93.07045	13.0
95.08594	3.9
98.09668	4.8
105.06996	2.4
107.08553	3.5
108.08106	99.8
109.08916	4.0
110.09674	19.0
115.05437	2.3
117.07025	4.4
118.06530	50.8
119.08598	2.8
122.09710	2.5
130.06514	29.5
134.09624	2.4
135.11716	2.3
136.11182	2.8
139.73820	1.7
142.06471	4.2
143.07318	2.4
143.56996	1.9
144.08084	24.9
146.05997	100.0
147.06354	2.5
148.11148	2.4
149.02336	8.1
150.12729	1.9
157.10226	3.0
166.08606	11.8
168.10159	2.3
170.05945	9.5
176.14349	2.6
178.15900	92.6
179.16267	2.5
184.11208	2.1
188.07059	89.2
189.07426	2.3
190.15938	3.4
193.04973	12.2
200.20088	4.9
234.14897	2.5
235.43530	2.0
235.73117	1.8
236.16467	27.3
251.56236	1.7
270.16260	2.0
295.14386	14.5
297.16092	7.8
319.06085	3.3
365.10910	2.2
365.22290	58.9
366.22668	17.3
388.81100	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05135	0.5
52.78406	0.6
54.57153	0.5
68.04700	0.5
70.70200	0.9
88.29511	0.5
115.77071	0.5
171.16510	0.6
204.53476	0.5
225.98502	0.6
267.15540	0.6
365.13840	3.4
365.22937	100.0
366.23322	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	365.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95415	0.6
54.20357	0.7
70.02060	1.8
99.95367	0.7
129.85757	0.9
131.10594	0.7
135.68816	0.7
195.09949	1.2
244.61964	0.8
274.53955	0.7
319.29987	0.7
364.33313	2.9
365.13712	18.6
365.22952	100.0
366.13885	0.9
366.23138	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	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01877	3.3
55.05509	6.0
57.03429	6.0
69.03430	49.7
69.41559	6.5
69.41956	4.1
71.04990	9.2
81.03421	28.2
83.01382	2.7
83.05012	3.0
83.08617	6.0
84.25217	2.5
85.02899	66.6
87.00826	30.6
87.04432	3.5
97.02891	68.3
97.03493	5.2
99.04456	33.5
101.57285	2.9
105.01846	29.5
109.02895	9.8
127.03913	100.0
128.00780	2.9
128.04236	3.4
130.50893	2.5
145.04962	57.7
147.11285	3.1
147.61871	2.9
152.07109	5.0
153.07512	3.1
195.08478	5.5
201.88661	2.5
212.09201	4.5
213.09596	2.9
231.04990	52.6
244.06195	2.9
249.06055	20.5
276.45313	3.1
288.75861	2.8
324.48660	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	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
53.23735	2.7
55.01863	8.2
55.05511	23.2
57.03429	3.7
59.69284	3.0
61.02919	5.9
69.03424	34.6
70.33368	5.9
70.33704	3.6
71.04976	4.7
73.02907	5.5
77.51935	2.7
81.03416	25.9
83.08606	12.2
85.02897	100.0
87.00824	52.2
97.02869	36.5
99.04443	14.2
103.47025	3.0
105.01856	76.7
109.02878	24.3
120.38956	3.7
127.03905	72.8
129.01871	4.7
135.21164	2.9
145.04951	47.1
159.02905	18.3
173.28738	3.4
173.31407	3.6
213.04037	3.2
224.28352	2.8
231.04945	17.8
244.07675	2.7
249.05991	8.3
316.79541	3.0
366.22128	3.6
366.72076	6.2
367.21936	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	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37748	0.5
53.03942	5.4
55.01868	7.9
55.05509	3.8
55.60077	0.5
57.03435	5.8
60.04512	0.8
61.02921	4.9
68.99782	2.9
69.03424	37.8
69.83730	1.1
69.84064	1.2
71.04988	4.9
73.02912	7.3
79.05471	0.6
81.03411	24.8
81.07069	1.1
82.68832	0.6
83.01336	1.3
83.04964	0.7
83.08611	1.3
85.02898	100.0
86.03237	1.4
87.00823	39.9
87.04459	1.1
88.82410	0.6
91.03950	1.4
91.05511	0.5
95.08606	0.8
97.02884	28.0
97.06472	0.6
97.34914	0.6
98.06059	0.6
99.04448	14.2
101.02365	1.1
105.01858	58.1
106.02219	0.8
108.04465	2.2
108.08217	0.5
109.02869	25.2
111.08075	1.5
115.03902	1.3
117.01855	2.2
121.10133	0.5
126.05560	1.2
127.03904	62.7
128.04236	1.6
129.01808	2.5
135.07999	0.8
136.06171	2.0
139.07526	0.8
141.09106	1.5
145.04945	30.1
147.02881	1.9
151.07516	1.5
159.02882	13.8
160.03229	0.7
171.03130	0.5
189.03877	3.2
191.10666	0.8
209.11662	2.8
213.03928	2.3
231.04985	18.6
248.07681	1.3
249.06020	3.5
269.13898	0.9
295.11755	3.2
324.12659	0.9
333.48141	0.6
366.14053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90464	2.8
53.03931	3.6
55.01872	7.4
57.03427	5.6
58.54165	3.0
60.77478	3.4
61.02931	6.0
63.32270	3.3
68.99780	3.4
69.03424	42.7
69.09654	20.6
69.10051	7.5
71.04993	5.3
73.02924	4.0
81.03413	19.7
85.02893	100.0
87.00819	52.8
97.02878	41.0
98.22757	6.2
99.04463	11.4
105.01855	79.6
105.02511	3.9
106.83987	2.9
107.75277	2.8
108.04459	3.7
109.02873	32.9
112.33973	3.6
115.58642	3.0
127.03909	78.2
129.01764	4.0
136.86371	3.0
145.04944	38.1
146.04515	2.9
159.02917	12.7
189.03860	4.0
213.04077	3.3
231.04987	19.7
249.06017	9.7
325.02979	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	366.1771
Annotation	isopentenyladenine-9-N-glucoside
Peak:m/z	Relative Intensity
53.03952	0.4
57.03418	0.4
61.02907	0.7
61.42334	0.2
69.03419	2.8
69.07061	3.9
70.84906	0.2
70.98522	0.3
72.69894	0.2
73.02908	0.3
80.34293	0.2
81.03406	0.7
85.02892	2.5
87.04468	0.5
97.02872	1.1
99.04401	0.4
109.02859	0.5
114.60274	0.3
118.45742	0.2
119.03544	0.6
119.27332	0.3
127.03897	0.4
131.62860	0.3
136.06172	100.0
137.04601	0.4
137.06622	1.7
142.61705	0.2
148.06166	10.3
159.42192	0.3
176.29695	0.2
178.07265	0.4
204.12427	58.9
205.12790	2.0
218.55690	0.3
236.09018	0.3
298.11435	0.3
366.17685	42.0
367.17859	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	4.7
69.45904	5.0
71.04986	16.1
71.43182	5.5
79.05465	8.1
81.07044	26.4
86.09679	7.5
91.05482	11.3
93.07011	7.0
95.08573	6.6
105.07040	14.6
107.08591	19.9
109.06501	5.6
109.10143	11.4
123.11699	20.7
128.00742	5.3
133.10074	26.2
145.91479	6.0
151.11176	100.0
166.26294	6.4
169.12306	26.7
177.01836	4.9
187.10083	4.7
191.05736	5.4
266.18277	8.8
292.60858	5.6
304.08429	5.3
366.11276	11.5
366.20148	8.1
367.13531	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	4.7
69.45904	5.0
71.04986	16.1
71.43182	5.5
79.05465	8.1
81.07044	26.4
86.09679	7.5
91.05482	11.3
93.07011	7.0
95.08573	6.6
105.07040	14.6
107.08591	19.9
109.06501	5.6
109.10143	11.4
123.11699	20.7
128.00742	5.3
133.10074	26.2
145.91479	6.0
151.11176	100.0
166.26294	6.4
169.12306	26.7
177.01836	4.9
187.10083	4.7
191.05736	5.4
266.18277	8.8
292.60858	5.6
304.08429	5.3
366.11276	11.5
366.20148	8.1
367.13531	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	366.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53117	10.5
55.05499	21.7
61.98396	9.9
67.05489	49.5
69.07059	19.5
71.32122	10.1
79.05479	51.8
81.07047	95.4
85.06542	25.4
91.05479	44.8
93.07045	100.0
95.04957	22.6
95.08584	75.3
105.07024	75.3
107.08572	62.3
109.10146	28.8
111.08050	20.0
119.08575	45.9
120.94965	11.5
121.10155	36.7
123.11729	13.9
133.10107	34.7
135.11682	28.8
136.61620	11.3
145.10023	17.3
147.11665	28.8
159.11676	15.3
161.13243	33.5
173.13313	15.0
175.14761	13.6
193.26732	10.6
260.51929	9.8
277.21634	24.3
366.29898	29.6
372.17053	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	367.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94326	0.2
71.42300	0.3
82.99860	0.3
98.97559	0.6
101.00854	1.9
116.41539	0.2
116.98647	0.4
119.01910	6.9
119.02757	0.3
120.01968	0.4
131.19984	0.2
134.99832	0.2
137.02953	1.7
151.00845	0.2
153.00795	0.3
153.40810	0.2
158.99927	1.0
160.01463	0.2
165.00711	0.3
165.99649	0.4
166.01433	0.3
166.17558	0.2
166.51413	0.3
167.01118	0.2
170.01753	0.2
172.01427	0.6
175.02841	0.4
177.00929	16.4
178.01138	2.0
178.51338	0.3
182.99768	0.5
184.01384	0.9
185.02113	0.3
190.01418	0.9
190.51419	0.2
191.02148	0.4
193.01936	0.5
193.03906	0.3
193.40781	0.2
196.01364	0.4
199.01845	0.4
201.00920	1.5
203.01758	0.2
205.02019	0.4
205.51929	0.3
210.04674	0.4
211.01714	0.4
211.04807	0.7
217.04051	2.6
219.01978	22.7
220.02118	2.4
221.01836	0.4
225.00877	2.6
232.02409	0.2
232.95027	0.5
234.04613	0.4
234.99910	0.6
235.04910	0.7
236.00108	0.9
236.99776	0.6
238.56332	0.2
241.02852	0.3
242.03615	0.4
243.01952	8.1
244.02086	0.6
247.05186	0.3
252.05748	0.6
253.05952	0.8
256.95105	1.0
258.99973	2.3
260.00006	1.7
261.03030	100.0
262.03162	10.8
263.03119	0.9
264.99319	0.3
277.00992	1.8
278.01151	1.7
279.00873	1.0
282.99954	3.2
283.54193	0.2
284.00107	5.1
284.04514	1.5
284.99808	2.6
286.04590	0.7
292.04517	0.5
295.05179	0.3
301.00989	5.9
301.04617	0.4
302.01126	8.0
303.00861	4.1
307.04880	0.4
316.05518	0.4
319.02289	0.3
320.02188	0.2
324.94171	0.8
325.01379	0.6
325.05811	0.2
326.01218	0.6
327.00769	0.4
337.06299	0.3
342.95169	1.8
343.01950	0.6
343.95337	0.4
344.02200	3.4
345.01785	0.8
362.03323	1.0
364.01022	0.4
367.02414	1.2
368.02017	0.4
373.01501	0.5
373.51495	0.5
385.03186	4.3
386.03046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1152
Annotation	Speranskilatine A
Peak:m/z	Relative Intensity
60.79026	1.1
85.42136	1.0
98.23431	1.1
101.06020	2.4
107.20132	1.1
141.13498	1.0
149.02313	1.3
200.20079	1.2
223.01434	1.0
266.51904	0.9
305.11435	4.6
349.10452	100.0
350.10773	8.6
367.11490	11.6
367.15598	2.1
390.13342	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1361
Annotation	(+)-Trehazolin
Peak:m/z	Relative Intensity
56.68456	0.7
69.81316	1.8
84.51744	0.9
98.22769	1.4
148.68712	0.9
166.89714	0.8
185.04276	1.2
204.07524	0.7
219.16740	0.7
337.43213	0.7
367.13623	100.0
368.13965	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	367.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64442	3.3
70.82433	3.0
89.65379	2.8
115.47314	2.5
144.76268	3.1
295.13132	3.7
322.11829	3.8
335.12482	72.9
335.16202	5.1
336.12976	4.6
352.12653	8.4
367.15176	100.0
368.15424	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	367.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.1
56.96564	43.7
67.05491	11.3
71.42268	11.9
79.05474	19.6
81.07034	26.9
83.05022	6.2
95.08585	12.2
95.79240	7.5
105.06969	10.9
107.08565	9.1
112.13949	6.8
119.08598	12.1
121.23517	7.1
137.30853	6.9
149.02390	12.2
161.13388	6.6
163.07181	7.5
213.07915	14.9
231.08919	14.8
255.08948	12.5
259.12158	9.8
262.62476	7.9
269.10544	46.2
331.15652	15.4
349.16605	14.4
367.12866	11.9
367.17203	100.0
367.21588	27.7
385.18961	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	367.2091
Annotation	6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
52.18946	0.8
56.96566	1.7
61.15700	1.0
129.23340	0.9
144.59518	0.9
149.02368	1.4
150.02742	1.3
181.72227	0.9
217.40321	1.0
227.10696	2.9
229.07463	1.4
230.70911	1.0
247.08600	1.3
279.15616	7.6
279.62912	1.0
331.15991	1.2
349.19910	3.9
367.20978	100.0
368.21451	5.1
385.19101	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01857	2.8
55.05509	17.2
57.03434	6.0
57.07070	1.2
59.04995	2.5
65.03923	1.3
67.05495	7.6
69.03426	3.1
69.07061	2.6
71.04981	3.0
73.06561	6.5
79.05484	13.2
81.03424	0.9
81.07049	19.8
83.04978	8.5
83.08622	0.9
85.06543	10.7
87.04436	1.4
91.05467	23.0
93.07034	17.2
95.04964	12.5
95.08588	7.0
97.06544	4.9
98.15509	0.9
101.06005	7.6
105.07022	38.1
106.07335	1.0
107.04946	3.1
107.08577	11.5
109.06515	6.1
109.10198	1.3
111.08089	1.6
115.05442	4.3
117.07011	15.4
119.04915	1.5
119.08566	23.6
119.09413	1.7
121.06486	6.1
121.10152	3.5
123.08031	4.2
125.05916	1.1
128.06213	17.3
129.06989	16.6
129.24243	1.0
130.07805	6.3
131.08559	25.8
133.06496	4.4
133.10115	15.3
135.08043	5.8
135.11649	1.1
139.07536	1.1
141.06918	5.6
142.07753	9.5
142.60918	0.9
143.08545	100.0
144.09074	3.5
145.06432	6.5
145.10114	58.2
146.10472	2.6
147.08037	12.1
147.11629	6.7
149.05992	1.3
149.09570	9.1
151.07507	2.5
153.07062	2.0
154.07715	1.8
155.06015	1.9
155.08513	18.3
156.09346	5.7
157.06526	1.1
157.10118	29.2
157.90768	1.2
158.07286	1.5
159.08057	3.2
159.11674	25.4
160.08913	1.1
161.09598	26.0
161.13216	6.7
163.11140	5.1
165.06929	6.7
167.08531	2.8
167.10658	3.6
168.09366	1.7
169.10028	4.6
170.10902	3.8
171.08034	7.8
171.11658	9.9
173.09613	29.9
173.13263	3.2
175.11191	6.3
175.14844	4.4
180.09271	5.6
183.08109	2.1
183.11615	5.8
185.09648	3.1
185.13235	39.1
186.13623	1.5
187.11162	5.4
189.09050	2.2
189.12732	4.5
191.10614	6.6
195.11682	12.3
198.10376	2.9
201.12755	11.4
203.14293	15.8
205.12141	1.0
209.11742	1.1
213.12720	44.7
214.12953	1.4
219.13780	4.5
219.17412	2.7
219.30878	1.1
221.15399	1.1
225.89644	1.1
231.13777	98.5
232.14127	4.8
248.07684	1.0
249.08180	1.4
249.14832	23.3
250.15149	1.3
267.15762	1.9
277.07675	1.3
278.08365	1.2
291.09232	1.2
293.10815	1.2
305.07098	2.1
323.11945	2.3
323.18423	3.5
324.36487	1.0
349.20035	2.2
361.19986	1.0
367.10742	15.4
367.20984	15.9
367.24933	1.4
368.21454	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01858	3.4
55.05507	19.2
57.07066	10.4
57.44940	3.0
59.04997	4.3
59.23807	3.3
65.03936	5.1
66.74638	3.4
67.05500	45.3
68.02261	3.2
69.03411	9.3
69.07063	24.7
71.04987	10.7
79.05486	41.0
79.26225	3.2
80.44851	3.5
81.07041	50.9
83.04972	6.3
83.08607	9.2
85.06503	3.8
91.05467	69.1
93.07031	93.1
95.04958	42.0
95.08592	59.1
97.06526	14.8
103.05471	7.3
105.07018	100.0
107.08588	66.3
109.06492	15.8
109.10139	34.5
111.08031	4.3
115.05441	9.4
117.06998	27.8
118.09621	2.9
119.08562	94.6
120.08823	4.2
121.06482	12.5
121.10115	48.7
123.08060	7.8
123.11678	14.4
128.06216	12.3
129.06987	21.2
130.07788	14.1
131.08560	56.5
133.06509	4.0
133.10123	57.1
134.10579	3.8
135.08066	13.1
135.11702	16.1
137.09598	5.3
139.11185	3.2
141.06967	7.8
142.07756	26.8
143.08551	37.8
144.09315	12.1
145.10123	68.0
146.07236	4.9
147.08037	13.0
147.11633	18.8
149.09560	17.0
153.06984	3.6
154.07730	3.8
155.08542	14.9
156.09344	23.5
157.10110	46.9
158.10760	7.5
159.08080	5.5
159.11656	36.7
160.08966	4.2
160.12070	6.0
161.09593	41.2
161.13318	5.3
163.14784	3.6
165.07007	4.6
167.08572	9.5
168.09360	5.8
169.10110	28.9
170.10866	9.1
171.08084	4.2
171.11647	25.3
172.12225	3.3
173.09628	7.8
173.13251	26.5
175.11188	10.0
175.14816	15.2
179.08556	11.4
181.10127	10.4
182.10989	4.8
183.11678	26.4
184.12315	5.0
185.13242	21.2
187.11234	3.9
187.14769	9.8
193.10037	5.0
194.10873	10.9
195.11572	18.7
196.12399	4.1
197.09749	4.1
197.13206	18.1
198.13751	3.2
199.14757	12.8
201.12692	4.9
201.16304	8.1
207.11679	6.4
209.13280	21.9
210.14005	5.8
211.14825	8.7
213.12862	5.7
217.15984	3.7
221.13245	4.8
222.30203	3.5
223.14760	7.1
227.14314	14.8
237.16391	7.2
239.17947	11.3
240.18501	3.4
249.16101	4.0
255.17462	5.9
256.18097	3.4
257.18933	7.8
265.19391	4.3
269.19019	4.5
344.97482	4.5
349.25186	11.2
367.26373	11.3
368.42523	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	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01880	5.2
55.05500	2.6
57.03426	5.6
61.02914	5.9
66.83810	1.8
68.99800	2.0
69.03427	34.6
69.84731	3.5
69.85099	4.5
71.04980	5.5
71.24806	2.0
73.02915	5.4
81.03413	30.3
85.02898	100.0
85.10189	2.9
87.00821	44.8
91.05477	9.7
97.02888	36.8
99.04443	15.5
105.01856	84.9
108.04473	2.4
108.34896	2.0
109.02865	32.2
119.04951	11.8
121.06507	2.5
127.03905	72.3
145.04945	36.9
147.04393	10.0
157.03976	3.1
159.02884	8.4
175.03857	22.1
183.03056	2.4
184.48097	2.0
189.03891	4.5
207.06509	34.6
211.68196	2.2
213.03703	2.5
231.04990	20.9
249.06064	9.6
288.49368	2.0
306.20679	3.5
351.10739	9.1
367.72214	7.3
368.22098	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	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01880	5.2
55.05500	2.6
57.03426	5.6
61.02914	5.9
66.83810	1.8
68.99800	2.0
69.03427	34.6
69.84731	3.5
69.85099	4.5
71.04980	5.5
71.24806	2.0
73.02915	5.4
81.03413	30.3
85.02898	100.0
85.10189	2.9
87.00821	44.8
91.05477	9.7
97.02888	36.8
99.04443	15.5
105.01856	84.9
108.04473	2.4
108.34896	2.0
109.02865	32.2
119.04951	11.8
121.06507	2.5
127.03905	72.3
145.04945	36.9
147.04393	10.0
157.03976	3.1
159.02884	8.4
175.03857	22.1
183.03056	2.4
184.48097	2.0
189.03891	4.5
207.06509	34.6
211.68196	2.2
213.03703	2.5
231.04990	20.9
249.06064	9.6
288.49368	2.0
306.20679	3.5
351.10739	9.1
367.72214	7.3
368.22098	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	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51046	1.2
53.03942	5.4
55.01870	7.5
57.03441	6.7
61.02917	5.4
68.99772	1.9
69.01857	1.3
69.03426	41.6
69.03805	2.4
70.06564	1.3
71.04982	3.2
73.02908	4.2
81.03411	22.6
85.02898	100.0
85.10187	2.8
86.03243	1.7
87.00823	51.6
91.03953	1.3
91.05497	4.0
93.07023	1.6
97.02885	31.1
97.03490	2.0
99.04458	10.6
101.02370	2.1
105.01860	80.7
106.02184	1.8
108.04485	2.3
109.02866	32.6
109.03553	2.4
110.79481	1.6
116.07096	2.6
117.01846	1.7
119.04930	5.5
127.03900	66.0
128.04260	1.4
129.01840	3.2
145.04939	33.3
147.02859	2.3
147.04413	4.9
159.02890	8.6
175.03886	6.5
189.03944	3.2
207.06546	11.5
213.03839	2.0
231.04962	19.1
249.06001	7.3
280.24115	1.5
347.93893	1.5
351.10922	3.0
381.39182	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01875	9.3
57.03432	8.0
59.44609	2.0
61.02924	7.5
64.16205	1.7
68.99804	3.1
69.03426	40.8
69.07055	3.8
69.29325	7.4
71.04981	4.1
73.02901	6.0
76.02212	2.0
81.03410	26.9
85.02898	100.0
86.51508	1.7
87.00826	42.0
91.05473	6.2
97.02889	30.8
99.04465	15.1
105.01147	3.3
105.01858	68.3
108.04524	2.6
109.02864	25.4
114.09162	4.1
117.01869	2.0
119.04925	7.0
122.02747	3.7
127.03910	69.8
128.04216	2.5
135.11736	1.9
145.04947	28.1
145.06181	2.5
145.06508	2.0
147.04414	4.3
153.12715	2.5
158.02650	4.4
159.02888	12.3
161.06067	2.4
171.13789	3.6
175.03857	10.4
176.03740	3.6
189.03935	2.4
190.05646	2.0
191.07043	4.9
199.07458	3.7
201.12804	2.8
207.06468	13.9
211.11182	2.4
213.03819	3.4
214.09911	4.5
219.13702	2.8
228.10951	2.0
229.12227	48.5
230.12555	3.2
231.04947	15.0
248.07721	2.8
249.06136	4.6
257.71573	1.9
262.42682	1.9
324.76804	1.8
350.10355	2.3
350.14218	4.7
351.10681	6.8
351.27972	1.9
364.69995	2.1
368.15158	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	369.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06550	33.0
71.42347	27.7
71.42809	38.8
74.66694	31.8
76.16346	30.2
82.86230	30.8
127.62780	38.7
147.73857	31.6
167.95967	31.8
176.44560	33.9
184.52991	34.0
232.61195	32.4
246.88689	33.5
251.63522	34.4
279.94345	32.9
350.59665	35.6
369.15186	100.0
369.24631	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	369.1098
Annotation	Tetrahydromonorden
Peak:m/z	Relative Intensity
57.77568	5.0
62.82830	5.2
71.42780	4.6
82.89918	4.4
108.03884	4.3
128.79688	4.1
167.14322	4.6
217.39447	4.2
223.96477	4.7
236.90182	4.4
321.85379	5.1
369.10959	100.0
369.15948	11.6
370.11487	8.9
385.65369	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	369.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12503	1.4
52.15908	1.2
52.18714	1.4
56.78697	1.1
56.96526	1.1
58.06599	2.6
69.27425	2.9
69.27811	3.0
84.08121	3.1
85.02902	1.7
132.26230	1.1
167.05499	1.5
185.04199	5.0
206.05508	4.8
207.06216	11.4
315.60931	1.2
369.11520	100.0
369.24902	5.6
370.11880	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	369.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01865	0.9
55.05498	0.6
57.03424	2.0
65.03931	1.6
69.03068	0.6
69.03426	8.7
71.04974	1.3
71.40694	0.6
71.41092	0.5
71.99005	0.5
73.02901	1.1
74.98282	0.5
76.03135	0.5
77.03896	0.6
81.03409	24.5
85.02895	7.0
89.03928	0.7
91.05471	27.5
95.04967	0.6
97.02875	1.5
99.04454	2.6
103.05461	0.9
105.01855	0.9
109.02861	10.0
117.03331	0.9
118.04163	0.7
119.04929	37.5
120.05279	1.3
121.02898	0.5
127.03906	3.0
129.03340	0.7
131.04889	0.5
132.02057	1.8
135.04399	0.9
137.05930	0.6
143.08417	0.5
145.02849	0.7
145.04967	0.6
147.04391	31.6
149.02274	1.4
157.03951	3.5
164.04651	1.8
166.34955	0.5
175.03885	45.9
176.04227	1.5
179.06981	2.8
192.04173	3.2
194.18094	0.5
203.62628	0.5
207.06500	100.0
208.06815	4.4
225.07574	3.0
244.84174	0.5
309.09689	1.2
337.10571	0.7
351.10696	32.7
352.11047	2.8
354.82034	0.5
369.11697	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	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03942	1.8
55.01873	1.3
55.05517	1.6
57.03424	2.3
59.04993	1.6
63.70005	1.0
65.03930	1.9
67.05491	2.2
68.98322	1.0
69.03426	7.6
71.04989	2.3
81.03411	23.2
81.07062	2.3
85.02906	6.9
91.05476	26.5
93.07025	2.8
94.57049	1.2
97.02901	2.4
97.10847	1.2
99.04432	2.3
103.05388	1.3
105.07037	3.7
107.08561	1.6
109.02872	9.6
117.06975	1.3
118.04191	1.2
119.04935	35.6
123.08089	1.7
127.03932	2.4
129.03365	1.6
132.02097	1.8
133.10129	2.0
135.11627	1.6
147.04404	33.4
149.02350	2.7
157.03979	5.4
161.09642	2.6
163.03923	1.6
175.03893	54.2
176.04276	1.8
179.07036	4.1
192.04218	3.3
198.72377	1.2
207.06506	100.0
208.06897	4.1
225.07510	1.7
269.47232	1.1
278.92950	1.1
351.04587	2.9
351.10739	19.2
369.12317	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03933	1.6
55.05494	0.4
57.03411	1.1
61.02907	0.5
65.03927	1.4
67.05483	0.7
69.03069	0.5
69.03419	8.1
69.07014	2.9
71.04974	0.8
73.02902	0.8
79.05479	0.6
81.03410	11.9
81.07050	0.6
85.02888	4.8
89.03886	0.8
91.05473	27.1
92.05791	0.5
93.07027	0.5
95.04960	0.4
95.08590	0.8
97.02882	2.4
97.06473	0.4
98.22688	0.8
99.04441	1.7
101.02339	0.3
101.03898	0.6
103.05448	1.1
105.07007	1.0
107.04923	0.8
107.08562	0.4
109.02859	4.1
117.03357	0.4
118.04111	0.8
119.04931	39.7
120.05279	0.7
120.08096	4.7
127.03922	3.1
129.03343	0.8
132.02032	1.6
133.02812	0.4
133.10127	0.4
135.04350	0.8
136.05197	0.4
137.05972	0.6
145.02875	0.6
146.20247	0.4
147.04391	32.2
148.04677	0.7
149.02318	1.3
149.05956	0.5
157.03951	4.3
162.03108	0.5
164.04669	1.5
166.08601	0.7
167.07057	0.5
174.03110	0.4
175.03885	53.7
176.04292	2.0
179.06993	2.1
192.04152	2.5
203.03410	0.3
207.06500	100.0
208.06847	3.4
225.07494	1.7
309.10184	0.5
351.10712	12.3
352.10992	0.9
369.11813	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03946	3.2
53.93673	0.6
55.01867	1.0
57.03422	1.9
65.03925	2.2
65.60857	0.6
69.03067	0.8
69.03424	9.9
69.31548	2.9
71.04984	1.1
73.02937	1.4
74.69423	0.6
79.05460	0.9
81.03413	28.0
81.13185	0.5
85.02902	8.9
85.71562	0.7
89.03897	2.5
91.05474	30.1
91.11530	0.5
92.05794	0.6
96.40627	0.5
97.02875	2.8
98.22686	1.4
99.04455	3.8
103.05447	1.1
105.06989	1.0
106.02915	1.4
107.08575	0.8
109.02875	10.4
117.03349	1.6
119.04935	36.4
120.05291	0.8
121.02863	5.1
121.06501	0.6
124.03936	1.9
127.03906	3.2
129.03368	0.8
132.02054	1.7
133.02776	0.7
133.10086	0.9
135.04425	1.6
141.06602	0.9
145.02869	3.3
147.04388	31.8
148.04744	0.8
149.02322	1.2
149.05949	1.0
149.09561	0.8
157.03973	4.6
159.08002	0.9
161.13188	0.7
163.03850	3.5
164.04677	1.3
174.10422	2.3
175.03891	54.9
176.04219	2.5
177.05481	3.7
179.07040	2.5
189.12700	4.8
192.04155	3.4
207.06505	100.0
207.13771	1.8
208.06839	3.0
225.07584	1.3
309.09613	1.1
351.10712	27.8
352.10870	1.1
369.11209	4.1
369.15204	1.7
369.19733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01871	0.9
57.03423	2.3
59.50809	0.6
59.86702	0.6
65.03925	1.5
69.03431	9.1
70.78303	0.8
70.78629	0.6
71.04964	1.6
73.02913	0.7
77.03931	0.6
79.05483	0.7
81.03413	28.5
85.02903	8.3
89.03918	0.8
91.05474	30.8
91.06059	1.5
92.05793	1.2
97.02881	1.0
99.04438	3.2
102.42236	0.6
109.02868	9.0
115.44353	0.6
117.03399	1.2
118.04134	1.3
119.04934	40.7
120.05267	1.1
127.03925	3.0
129.04427	0.9
132.02049	2.0
135.04446	0.8
147.04402	34.0
148.04712	0.6
149.02388	1.4
157.03940	4.2
164.04680	1.7
175.03896	50.4
176.04213	1.8
179.07021	2.7
192.02592	0.6
192.04163	4.0
205.12239	0.8
207.06508	100.0
208.06889	4.1
225.07593	3.3
231.13861	0.9
247.07513	0.6
277.08466	0.9
291.10132	0.9
309.09717	1.8
337.10690	5.6
351.10715	31.8
352.11063	1.9
354.04007	0.8
369.06009	1.2
369.12457	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	369.1335
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03941	0.8
55.01869	1.8
57.03426	0.9
65.03922	0.9
69.03406	3.4
69.10954	4.2
71.04968	0.6
79.05477	1.0
81.03409	6.1
81.07059	0.8
83.04962	0.8
85.02897	2.3
91.05476	8.5
97.02914	1.0
99.04450	1.3
105.03391	0.7
105.07037	1.7
107.04952	2.0
107.08586	0.8
109.02872	1.9
119.04166	0.9
119.04940	11.7
119.08561	0.8
120.07392	0.6
127.03896	1.1
128.06242	0.7
131.04951	1.3
133.02875	0.6
133.06528	0.6
133.10098	1.6
135.04395	0.7
137.05965	1.4
139.04962	0.7
145.06490	1.4
147.04410	8.7
149.02399	0.7
152.06209	0.7
157.03992	1.6
161.05951	0.7
161.09573	1.5
165.06979	2.0
166.07770	1.0
167.08473	0.7
169.06332	0.6
171.07968	0.6
175.03915	15.5
175.07520	1.9
177.06978	1.3
178.07787	3.0
179.07033	1.3
179.08492	2.6
181.06485	1.4
182.07095	0.8
187.07460	0.7
189.07027	1.5
190.07770	2.0
191.08549	2.7
192.04185	0.9
192.09262	0.7
193.06544	0.9
194.07213	5.0
195.08072	1.9
199.07574	0.7
202.07706	2.9
203.08495	2.6
204.09261	1.0
205.06479	3.4
205.12231	2.0
206.07219	2.4
207.06467	25.1
207.08081	3.2
208.06883	0.8
208.08727	1.2
209.05927	1.2
209.09532	1.4
211.07420	0.9
213.12668	1.4
215.08551	1.0
217.06622	0.9
218.07259	2.9
219.08025	6.1
220.08842	3.6
221.05989	2.4
221.09624	1.7
222.06732	4.4
223.07526	2.6
231.07999	5.1
232.08786	2.2
233.05978	2.6
233.09576	1.6
234.06702	3.6
235.07523	7.8
236.08279	2.5
237.05553	1.0
237.09100	4.7
238.06126	1.8
238.09795	1.6
245.05811	0.6
246.06781	1.1
247.07542	6.5
248.08311	6.3
249.05365	0.6
249.09056	4.2
250.06212	2.7
250.09930	1.2
251.06985	4.7
251.10469	1.5
252.07652	2.8
253.08536	1.4
258.06857	0.6
260.08319	1.2
261.09067	3.5
262.06387	1.0
262.09808	2.0
263.07123	3.3
263.10718	3.6
264.07800	3.1
265.08600	14.1
266.05551	0.7
266.09250	3.8
267.06628	1.2
267.10049	1.3
273.08783	0.7
275.06964	1.9
276.07849	2.3
277.08600	3.0
278.05826	1.4
278.09308	2.4
279.06577	2.8
279.10144	4.0
280.07333	1.0
280.10818	1.6
281.11737	1.1
283.09457	0.7
290.09412	0.9
291.06760	1.1
291.10141	12.5
293.08118	6.3
294.08829	5.8
295.09448	2.8
307.09619	4.2
308.10327	1.6
309.11188	12.2
310.11673	1.3
311.09351	1.4
311.12601	1.2
319.09625	5.6
322.08347	2.2
323.09012	1.5
337.10666	100.0
338.11237	10.7
339.12119	2.1
351.10687	5.6
369.08862	1.1
369.13339	21.1
370.13205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90495	0.4
55.05497	0.7
56.74787	0.4
56.94288	0.5
67.05488	1.5
69.07060	0.6
69.74401	1.6
71.08621	0.6
81.07037	0.9
91.05431	0.6
93.07043	1.0
95.08632	0.5
96.53506	0.4
98.23403	0.7
107.08559	0.4
107.71565	0.4
147.11755	0.5
151.11206	0.7
152.07114	0.4
154.19234	0.4
173.11600	0.6
277.21588	0.7
307.16672	1.6
325.02502	0.4
351.15637	100.0
352.15970	7.9
369.16635	8.0
369.20560	1.2
392.18207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93755	0.9
55.05504	4.8
59.05001	1.3
65.03973	0.8
67.05516	1.0
69.03421	3.3
69.07048	1.9
72.20500	0.8
73.06547	3.8
79.05487	2.3
81.07037	2.6
83.04961	1.1
83.08616	8.9
91.05466	4.6
93.07033	3.7
93.43404	0.8
105.07023	10.8
107.08599	3.6
109.06488	2.3
117.07018	1.8
119.08566	17.3
121.06474	1.2
121.10136	5.4
122.21424	1.1
123.04429	1.3
123.08049	1.0
128.06161	1.4
129.06998	3.9
131.08562	14.1
133.06470	11.0
133.10120	5.4
135.08037	2.0
135.11684	1.3
142.07765	1.1
143.08556	4.3
143.10681	1.8
145.10135	3.6
147.08028	8.8
147.11668	6.4
148.08846	1.6
153.09050	0.9
156.09338	8.3
157.06532	1.4
157.10068	3.0
159.08084	2.3
159.11661	1.5
161.05980	1.4
161.09605	2.2
161.13239	22.1
165.09120	6.2
171.11678	23.4
172.12177	1.1
173.09703	1.2
173.13206	1.7
174.10390	2.9
175.07512	7.2
175.11079	4.6
177.09155	1.1
179.10645	1.2
184.08789	2.1
187.37703	0.8
189.09114	1.7
189.12726	54.7
190.13126	2.6
193.08545	1.8
199.11159	13.9
217.12216	100.0
218.12572	3.7
221.15338	3.9
227.10748	1.5
230.33594	1.0
231.13835	5.5
235.13257	4.2
245.11728	7.4
249.14836	59.4
250.15199	3.1
259.13309	2.4
277.14319	49.8
278.14673	2.7
281.17480	13.8
291.15933	1.3
309.16919	4.4
344.61786	1.0
368.31296	5.0
369.16592	9.8
369.31638	3.9
370.17056	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01862	3.7
55.05512	3.2
57.03431	4.2
58.06572	2.6
60.22805	1.8
60.95850	1.7
61.02910	6.6
67.05504	3.4
69.03425	18.1
69.59554	7.6
70.06580	4.2
71.04986	21.6
73.02908	3.8
79.05483	5.4
81.03401	8.3
83.04965	2.1
84.08105	2.4
85.02415	2.2
85.02903	32.4
87.04440	4.2
91.05470	10.8
93.07005	3.6
95.04977	3.5
95.08594	28.4
96.46856	1.8
97.02891	10.2
99.04433	3.1
105.07014	15.1
106.02147	1.9
107.08583	38.1
108.08989	2.2
108.09921	1.9
109.02847	4.5
109.06493	3.1
119.04958	4.7
119.08567	19.1
121.10114	6.0
123.08042	2.0
123.11696	7.1
126.01057	5.7
127.03889	6.2
128.00743	3.8
130.07713	2.1
131.08569	5.7
133.10112	6.4
135.08086	2.4
137.09605	100.0
138.09979	2.4
145.04919	3.7
145.10091	5.7
147.04359	12.6
147.07980	2.0
147.11676	78.4
148.12009	4.5
148.65097	2.0
149.09589	23.4
149.13158	2.1
156.09409	3.2
159.11665	2.4
161.13245	10.8
162.96080	1.8
165.12749	7.3
171.11620	4.6
174.10422	3.2
175.03925	7.9
176.04549	6.0
177.05453	2.8
189.12726	90.2
190.13107	3.9
191.14330	10.0
207.06468	12.0
207.13792	42.0
208.07207	6.7
208.09673	5.5
208.14253	2.2
325.08972	5.2
369.08337	16.8
369.15027	16.5
369.19037	22.9
369.24789	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.3
55.41962	3.6
56.96558	39.7
69.85845	13.4
76.75253	4.4
85.53925	4.6
98.23473	6.1
128.98605	7.1
138.64719	4.9
173.04962	5.5
186.84189	4.4
189.04292	5.9
199.06427	14.6
201.08083	6.3
203.05867	8.4
211.06438	12.7
211.94812	4.1
213.07950	8.9
217.07494	18.8
219.09120	5.5
225.08026	6.7
229.07434	78.8
231.09006	10.6
237.07780	4.0
241.11287	4.6
243.09079	6.9
247.08530	50.9
269.10565	22.2
287.11688	10.5
307.96298	4.0
322.36478	4.6
333.17291	27.6
350.95517	4.4
351.09805	8.5
351.18362	43.8
369.19592	99.5
370.20074	5.8
374.20166	5.6
387.20541	100.0
388.20596	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	14.9
55.05507	25.8
57.03426	12.4
57.07053	3.5
67.05500	76.7
69.03429	5.6
69.07062	100.0
70.23138	5.4
70.23460	3.2
71.04977	8.9
73.06542	6.9
77.03967	3.2
79.05488	55.2
81.03436	3.7
81.07050	85.8
83.04980	10.7
83.08613	13.2
85.06543	12.9
91.05474	36.3
93.07040	52.1
95.04951	9.0
95.08603	61.1
97.06538	22.5
97.10163	11.5
99.08097	10.0
105.07015	29.4
107.07930	4.6
107.08593	42.2
109.06501	4.8
109.10149	20.5
111.08038	6.8
115.07565	16.1
117.06951	3.8
119.08556	19.2
121.10130	33.3
123.08050	5.4
123.11741	4.3
125.09635	28.7
128.13728	3.1
129.06985	4.3
131.08585	9.5
133.10107	17.0
134.78787	2.9
135.11696	30.9
139.11145	3.6
143.08514	4.1
145.10115	9.1
147.11687	24.1
149.09663	3.5
149.13226	9.8
151.11256	4.6
159.11641	5.8
161.13237	9.8
163.11156	4.3
163.14827	7.5
165.12703	5.8
167.09045	3.3
171.11752	8.9
173.11865	3.4
175.14746	4.3
179.14282	4.4
189.11166	3.4
194.38387	3.3
214.86584	3.2
240.75894	3.7
259.20566	14.2
277.21600	42.3
278.21869	5.2
295.22635	15.9
351.25357	17.0
369.10126	10.0
369.26068	25.8
369.30252	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	370.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45427	0.6
56.96554	6.3
58.06633	0.7
69.53246	2.9
74.97618	0.7
84.08118	0.8
97.89356	0.6
98.97578	8.6
116.98611	6.6
132.13652	0.7
134.99625	3.0
138.02306	0.8
142.01738	1.2
154.82558	0.6
156.03307	33.7
157.03687	0.9
160.02866	1.3
168.03290	6.5
174.04373	46.6
175.04706	0.8
186.04364	35.4
190.95464	0.6
192.05409	7.9
198.04372	1.7
204.05421	27.5
216.05487	1.8
219.02090	1.6
221.01814	1.3
222.06505	1.4
234.99783	0.8
258.99747	2.5
260.02869	1.5
262.03214	1.8
263.02786	3.3
264.03046	2.3
268.03128	0.8
272.02985	0.9
273.03110	0.6
274.04587	1.3
274.97549	1.8
277.00684	3.6
280.03265	1.3
282.08466	0.7
286.04492	2.0
292.98572	0.8
298.04428	9.9
302.04019	1.2
305.01288	0.6
310.04434	48.1
311.04657	3.9
316.05530	11.9
316.98773	1.2
317.05884	0.9
328.05502	100.0
329.05725	8.0
346.06595	3.6
347.01901	0.6
347.06558	0.7
351.06952	2.0
370.03162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37798	1.1
69.30605	3.0
69.31001	1.8
86.29587	0.9
97.12034	0.9
98.22762	1.5
119.07000	0.9
179.08623	1.1
189.06993	1.2
190.07819	8.0
205.10133	16.4
206.10518	1.4
209.09537	1.1
218.07278	3.4
233.09605	45.7
234.09999	4.3
251.10811	1.4
261.09109	100.0
262.09436	8.3
279.10150	64.2
280.10583	4.2
311.12848	2.4
339.12289	19.2
370.20651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99588	1.3
57.15611	1.2
68.99354	1.2
69.23489	7.4
84.81525	1.2
118.87026	1.3
165.78069	1.5
191.08525	3.1
202.78578	1.4
207.08076	6.6
207.64590	1.6
218.07355	2.9
219.08102	8.1
220.08690	1.9
223.11043	2.0
233.09572	3.2
235.07510	14.4
236.08203	6.6
237.09045	2.9
247.07539	22.8
247.09827	2.0
248.08244	3.6
249.09013	5.5
250.09848	4.2
251.10634	7.4
252.11028	2.0
262.09875	33.6
263.06995	15.8
263.09775	3.3
264.07559	2.3
264.11356	1.5
266.09271	1.6
267.10104	3.8
278.09314	29.5
278.11804	1.8
279.10022	14.7
279.12726	2.2
280.07266	1.2
280.10785	3.9
281.11667	5.2
293.11679	100.0
294.12378	25.3
295.09610	12.0
295.13022	4.2
310.11850	4.6
310.14615	27.1
311.14725	1.9
320.12833	2.5
321.20837	1.3
325.14377	7.7
338.13715	4.4
353.13626	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	2.7
65.56076	1.0
67.05479	1.2
67.18826	1.1
69.03425	1.7
69.07062	1.5
69.72733	2.3
69.73081	3.1
72.06095	1.0
74.00661	3.5
75.04478	8.0
78.85073	1.0
85.02903	1.1
88.02204	4.2
90.67953	1.1
91.05481	4.6
92.05790	1.3
93.07047	2.2
95.73042	1.0
100.02197	5.1
105.06967	2.5
117.07037	1.7
119.04980	2.5
119.08572	5.3
120.01134	5.5
121.06504	2.7
122.02728	6.6
128.06235	2.8
129.06993	2.4
129.26622	1.3
131.08553	3.2
132.04813	1.7
135.08032	3.2
137.05969	2.2
142.07686	1.6
143.08569	3.6
145.06479	15.2
146.02669	6.7
147.04396	2.6
147.08022	7.9
149.05978	4.7
151.07501	2.0
155.04874	1.2
157.10097	3.1
159.08084	5.8
159.11687	7.8
160.04266	2.7
161.05963	14.3
161.09653	2.1
163.07521	12.6
169.10115	1.6
171.08009	3.6
172.08795	5.6
173.09607	1.4
175.07541	69.0
176.04253	2.4
176.07979	2.6
177.03697	9.6
179.05229	1.4
182.07394	1.1
183.08040	3.2
183.11656	1.4
184.08798	1.9
185.06036	1.7
185.09596	5.0
185.13148	2.7
187.11212	11.3
189.09105	1.3
189.12735	10.0
193.08591	10.5
194.07310	1.4
197.06052	2.0
197.09486	1.6
198.10420	5.4
199.11107	2.5
201.09023	1.3
201.12706	5.1
203.10774	5.9
203.12389	1.2
203.14337	5.4
205.12233	100.0
206.12552	3.4
207.04721	7.7
207.06419	1.9
208.06952	2.7
211.11198	2.1
211.46344	1.2
212.04683	1.8
213.05449	5.2
213.12727	38.0
214.12978	1.7
217.10323	2.0
217.12231	14.7
219.08009	1.6
219.13795	2.3
222.06766	2.0
223.07520	1.5
225.05606	2.3
229.12254	10.1
231.13799	34.3
233.09895	4.9
235.07774	6.0
236.08218	2.5
237.05392	2.6
237.09067	2.5
240.04292	2.0
241.04892	3.5
245.09927	7.8
247.11623	1.4
249.09184	5.8
249.14940	8.3
250.06271	1.7
251.06946	2.8
252.07751	3.9
253.05006	2.9
263.10989	45.9
264.08209	1.2
264.11362	3.6
265.05090	1.2
265.08594	7.4
266.09348	4.0
268.03751	4.7
269.04434	5.9
280.07220	4.7
281.04483	21.8
281.07788	1.4
283.05948	2.3
293.08325	1.8
293.11758	3.5
295.09866	1.4
296.03244	3.0
296.06644	1.5
296.10327	4.1
297.03937	42.0
300.06351	9.0
306.15198	1.7
311.05710	1.6
311.12698	4.8
313.03632	1.6
313.06992	2.8
321.11197	2.3
322.14780	4.0
334.14758	9.5
339.05441	2.4
339.12222	35.9
343.08130	26.8
349.87866	1.3
352.11398	2.2
352.15738	34.5
353.15793	2.1
370.16840	6.8
371.07642	33.8
371.14682	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	370.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.05498	1.2
56.05028	2.2
61.01122	0.8
67.05492	0.8
69.07069	1.3
74.00661	4.3
76.02224	1.2
76.97233	0.8
78.13542	0.7
79.05482	1.3
81.03401	1.3
81.07066	0.9
84.91995	0.7
85.48367	0.7
86.47687	0.8
86.99030	1.2
88.02219	4.9
89.00616	1.9
91.05469	10.7
93.07053	1.9
98.23475	2.3
100.02200	4.5
105.00005	1.1
105.07029	3.3
107.08597	1.9
109.06567	1.0
114.03780	1.8
115.05415	1.0
117.07079	1.6
119.04945	1.2
119.08564	6.6
120.01157	5.4
120.05357	1.0
121.06502	2.3
122.02730	5.1
128.06216	1.1
129.06982	2.3
129.16956	0.7
131.08580	3.2
132.04826	0.8
133.06490	2.3
135.08064	2.9
137.05989	2.6
142.07762	1.0
143.08560	4.6
144.09305	1.5
145.06479	13.5
145.07555	0.9
146.02696	7.9
147.04373	1.2
147.08055	8.2
149.05998	3.2
151.07539	1.8
157.10127	2.4
159.08055	3.4
159.11684	6.9
159.30310	0.8
160.04277	3.9
161.02623	0.9
161.04150	0.7
161.04411	0.9
161.05968	16.5
161.09598	2.2
162.06816	1.3
163.07504	9.5
171.08040	4.0
171.11613	1.8
172.08818	5.0
173.09596	1.0
174.06725	1.4
174.10425	1.4
175.07530	69.1
176.04224	1.6
176.07999	2.8
177.03711	6.7
177.09064	0.9
177.12764	1.6
179.05299	2.2
183.08029	1.6
183.11761	1.0
184.08829	2.2
185.09587	2.5
185.13200	4.1
187.11168	8.9
189.09113	0.9
189.12712	8.2
193.08592	9.8
197.09639	1.2
198.10390	4.4
199.11105	2.6
201.12747	4.0
203.10661	5.8
203.14290	3.8
205.12224	100.0
206.12534	4.7
207.04753	6.9
207.06500	1.8
208.06877	2.8
211.11171	1.7
213.12733	35.1
214.09999	1.4
214.13083	2.2
216.11501	1.3
217.06728	1.4
217.10297	1.4
217.12224	15.8
218.12541	1.0
219.13734	3.7
229.12222	10.8
229.14442	1.4
230.15414	1.0
231.13776	38.5
232.14139	1.7
233.10080	3.6
235.07915	4.6
245.09946	6.5
247.11501	1.6
249.14859	9.0
263.10989	54.6
264.11340	2.7
281.11972	2.1
306.15204	3.1
322.14731	3.4
334.14685	9.9
335.15024	0.9
339.12155	1.1
345.47534	0.9
347.01743	0.8
352.11584	1.2
352.15735	36.3
353.15997	1.9
370.16620	6.0
371.15073	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	371.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	1.0
56.96560	14.8
59.34527	0.7
59.52048	0.6
65.45061	0.7
70.02257	0.9
70.02601	2.0
70.06587	2.4
71.95248	1.4
73.14493	0.7
84.08134	1.0
89.93369	0.8
91.05779	1.8
97.02834	1.2
98.97575	100.0
110.97612	0.9
113.52451	0.8
116.98612	66.5
119.02003	0.8
128.98534	0.8
130.93246	1.0
134.99644	25.8
136.06137	1.0
153.00714	2.8
158.01277	0.8
172.94351	2.8
174.97716	1.7
177.00890	4.9
181.97649	0.7
190.95404	3.8
191.02484	2.2
192.98637	1.0
198.97635	2.1
201.00897	1.2
203.02548	2.1
205.02350	1.4
214.95418	1.5
216.98680	36.7
217.98866	2.0
219.02002	7.6
220.02263	1.2
221.01849	1.3
228.00279	7.3
229.00510	3.6
232.96394	4.5
233.03519	3.1
234.99747	50.6
235.99879	2.8
237.02803	1.4
240.98639	1.0
246.01361	9.6
247.01395	2.4
250.09395	1.3
250.97531	3.0
253.00917	0.9
256.96500	1.1
258.99704	26.5
259.99881	2.6
260.99915	1.2
261.02942	1.8
263.02924	4.1
264.03000	1.4
265.02567	1.8
269.02927	0.8
274.97519	6.4
275.97873	1.0
277.00778	39.1
278.00992	2.3
279.00513	1.4
287.01065	1.3
287.04053	0.9
290.95313	0.9
292.98566	2.8
298.97800	1.7
299.03033	0.9
302.96906	1.0
305.02121	1.0
311.01392	13.8
311.04886	1.3
316.98706	1.9
317.03870	1.1
317.99030	0.9
329.02502	81.2
330.02554	5.9
330.47159	1.0
347.03519	35.5
348.03601	2.6
352.04254	1.5
359.03088	0.9
388.97028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91315	14.6
70.06568	20.8
71.31554	15.9
73.04746	25.0
76.26939	14.0
89.91708	12.3
91.05762	66.1
92.72324	14.5
97.02861	22.7
97.72835	12.7
101.06018	16.2
127.88795	14.3
129.05528	19.0
192.59850	13.7
250.09392	22.4
285.01212	21.5
300.13794	16.3
344.05972	13.9
355.07114	17.3
371.07312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0762
Annotation	5,3'-Dimethoxy-6,7:4',5'-bis(methylenedioxy)isoflavone
Peak:m/z	Relative Intensity
67.05466	1.1
70.13926	2.1
70.59964	0.7
75.04477	22.8
81.03350	0.8
81.07039	1.0
83.04969	1.0
91.05424	2.7
98.23351	1.1
101.05977	1.2
106.06512	3.0
107.04958	0.9
111.04439	0.9
115.05413	1.6
119.04881	1.2
121.10091	1.0
122.02695	0.9
129.05455	1.1
129.06979	1.3
131.04938	0.9
135.04347	1.1
137.05942	1.8
139.05499	0.9
143.04880	1.1
145.06447	1.4
147.04367	2.2
151.03862	3.2
156.05688	0.9
161.05954	1.0
165.06931	0.9
167.07054	1.4
169.54138	0.7
175.07491	3.1
176.07838	2.5
179.04875	0.9
179.08675	0.8
181.06445	1.9
184.05161	2.1
185.05984	5.9
187.03864	0.9
194.07269	0.7
195.04347	1.1
195.07985	0.9
197.05959	7.7
198.06546	0.8
201.05453	1.0
203.06990	0.8
205.06581	0.8
205.12199	2.7
206.07314	1.0
206.12596	4.3
207.04428	1.4
207.07979	1.3
212.04640	2.6
213.05431	9.6
214.06021	1.1
214.13066	2.3
217.08562	1.1
221.06078	1.1
222.06799	1.0
223.03874	1.8
223.07549	1.4
225.05403	6.1
226.06174	1.1
227.07063	1.3
231.13770	1.4
232.14171	0.9
235.03835	1.2
235.07559	2.0
236.08141	1.2
237.05519	2.0
237.08939	0.8
240.04149	3.0
241.04903	9.2
242.05527	1.0
249.05472	1.6
249.09065	2.8
250.06139	1.3
251.03552	0.8
251.06906	1.3
252.04297	0.8
252.07845	2.2
253.05032	5.0
255.06488	2.4
263.07150	0.9
263.10782	1.2
264.07697	1.0
264.11337	1.7
265.04919	1.9
265.08600	4.5
266.09277	2.3
268.03629	7.2
269.04410	16.0
270.04892	1.8
277.08499	1.9
278.09384	1.1
280.07333	3.3
281.04449	43.8
281.07550	1.6
282.04977	4.2
283.05969	4.8
284.06717	1.6
293.08078	1.0
293.11670	2.5
295.06042	1.6
295.09467	1.5
296.03351	4.6
296.06689	1.6
296.10336	3.1
297.03922	100.0
298.04340	7.3
299.08899	1.0
300.06281	20.1
301.06567	1.5
309.03818	2.3
311.05408	3.3
311.12646	2.1
312.02826	1.0
312.06305	4.3
313.03363	2.8
313.07028	7.3
313.10501	1.1
321.11032	2.2
324.02811	0.9
327.05017	2.2
327.08572	1.8
328.05783	1.5
335.14890	0.9
339.05081	11.8
339.12192	22.6
340.12921	1.9
343.08109	67.9
344.08496	5.1
353.16156	1.6
371.07596	93.1
371.14447	9.3
372.07965	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	371.0862
Annotation	Kinamycin F
Peak:m/z	Relative Intensity
62.98254	0.6
67.05460	0.5
69.07726	1.1
69.08137	3.1
80.21829	0.6
98.23427	1.5
138.81383	0.6
144.53586	0.7
175.11188	0.9
199.58957	0.6
247.89848	0.6
297.20093	0.7
309.11188	1.7
311.13199	0.6
327.09641	44.6
328.10010	2.7
371.08640	100.0
372.08954	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.089
Annotation	Kinamycin F
Peak:m/z	Relative Intensity
51.21115	6.0
51.21331	5.0
52.33306	5.5
55.47365	4.9
56.58469	5.3
56.96560	6.1
58.56413	4.6
69.19186	35.4
75.93949	5.3
86.09715	7.1
91.24974	5.2
101.06024	8.9
111.04422	7.3
129.05458	7.0
133.09926	5.7
139.26509	5.5
140.34442	5.8
147.06497	11.3
174.64893	5.3
208.43192	5.5
244.03712	6.0
293.07843	6.1
333.06360	7.9
371.08859	100.0
371.13766	11.3
372.09854	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	371.0972
Annotation	Fraxin
Peak:m/z	Relative Intensity
55.05510	2.4
57.66722	1.9
64.47048	2.0
70.06583	5.6
71.41574	2.7
72.08133	3.5
77.03915	4.7
78.86074	1.9
79.05492	5.0
81.03407	3.6
81.07011	2.4
83.04962	2.7
83.98772	2.1
85.02923	3.3
86.09725	2.2
89.03910	6.4
91.05759	3.1
93.81564	2.0
95.04986	3.7
101.05995	3.5
103.05459	2.4
105.03393	10.2
105.07040	2.4
106.06553	71.9
107.04939	2.8
110.06023	6.7
111.04470	2.7
117.03355	4.0
120.04436	2.5
123.04404	4.6
124.03944	2.6
128.07101	2.5
129.05457	2.4
133.02837	21.1
135.04419	17.7
137.02359	2.6
139.03844	3.1
145.02843	10.6
147.04398	4.7
148.03922	31.6
149.02328	5.4
153.04222	4.4
153.05460	91.3
163.03897	100.0
164.04210	3.6
166.04967	5.0
170.64619	2.2
177.01828	3.5
177.05495	2.2
181.04967	3.0
187.03773	3.5
191.03439	2.8
194.04460	13.3
195.06551	20.1
203.03369	36.2
203.05255	2.5
205.04970	4.4
209.07779	4.2
212.05478	6.2
215.03333	6.3
231.02876	4.0
233.04312	3.4
261.03815	5.7
275.05630	3.5
279.04947	10.5
291.04968	4.4
302.68167	2.1
339.07095	6.8
349.71274	1.9
371.12817	8.7
371.16953	35.3
372.06946	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	371.1124
Annotation	8'beta-Hydroxyhinokinin
Peak:m/z	Relative Intensity
71.42754	1.6
71.72667	1.7
75.47802	1.9
101.06031	1.9
113.45502	1.5
129.05487	3.1
138.21729	1.7
154.35191	1.5
169.06462	2.6
178.07784	21.5
192.09369	3.0
193.10089	19.0
219.07912	2.7
221.09663	3.2
227.21545	1.7
234.06721	5.5
249.09084	100.0
250.09627	5.1
265.08624	2.3
293.08020	24.1
309.11258	4.2
352.32126	5.1
353.10156	67.1
354.10681	4.1
371.18170	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	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
56.50295	0.4
67.05474	0.9
79.05478	0.7
79.72013	0.5
81.03422	0.7
81.07050	0.6
89.77197	0.5
91.05500	2.4
95.04980	1.2
102.04695	0.7
103.05447	0.8
105.03433	0.7
105.06994	0.6
106.06510	1.6
107.04944	1.9
117.03365	0.5
118.04179	0.7
119.04916	1.9
121.27296	0.5
129.05522	0.5
129.07034	0.5
131.04932	1.5
137.05968	3.3
137.09508	0.6
145.02849	1.2
145.06451	1.2
146.03572	0.6
147.04384	2.2
153.05414	0.5
157.06378	0.5
159.08044	1.4
165.07007	1.6
166.07739	1.1
167.07011	1.6
167.08507	0.5
173.05968	0.6
175.03922	1.1
177.05450	0.7
177.06897	0.7
178.07716	3.1
179.03448	0.8
179.08524	1.3
181.06488	1.7
187.07570	0.9
189.07039	1.2
190.07709	1.2
191.08521	1.1
193.06468	1.6
194.07259	3.8
195.07999	1.7
196.08656	0.9
197.05963	0.7
202.07854	0.9
203.08562	1.3
205.06517	1.5
205.10196	1.1
206.07338	2.5
207.08089	3.7
208.08755	0.9
209.06007	1.8
209.09607	1.5
210.06772	0.7
211.07553	0.6
215.08540	1.2
216.25595	0.6
217.06647	0.8
217.08595	1.9
218.07259	2.0
219.08145	2.5
219.09979	0.6
220.08827	1.0
221.06017	3.1
221.09564	1.3
222.06731	4.9
222.10210	0.6
223.07460	4.2
224.08333	3.2
225.09044	0.8
225.30859	0.6
231.08046	1.4
232.08774	1.7
233.05917	1.0
233.09518	2.4
234.06723	4.1
234.10347	0.9
235.07507	5.6
236.08310	4.6
237.05513	2.8
237.09146	2.8
239.10707	0.7
241.08447	0.8
246.06764	0.9
247.07449	1.2
247.09644	1.2
248.08310	2.1
249.05473	1.5
249.09085	15.4
250.06219	4.1
250.09851	3.6
251.07042	4.3
251.10606	0.7
252.07799	9.9
253.08488	3.2
260.08310	1.0
261.09097	2.8
262.06161	0.6
262.09888	0.7
263.06943	3.2
264.07813	4.1
265.05063	1.8
265.08575	17.8
266.09344	11.5
267.06580	0.8
267.10013	1.8
269.08185	0.5
277.08551	4.1
278.09409	2.4
279.06558	1.2
279.10043	0.7
280.07242	10.9
280.10468	0.8
281.08078	5.5
281.11307	0.9
282.08710	0.7
285.07721	0.8
289.08673	0.6
292.11090	0.6
293.08066	2.5
293.11685	11.0
294.08765	1.7
294.11789	0.5
295.09537	3.7
296.10373	8.3
297.03876	0.7
297.11023	1.3
300.09769	0.9
301.10916	0.8
306.08936	0.9
307.09616	1.0
309.11264	2.2
310.11938	1.6
311.09241	1.1
311.12698	8.9
312.09872	0.9
312.13107	1.0
313.10654	1.5
321.11172	7.0
322.11536	0.8
324.09943	2.0
325.10846	1.3
327.12225	0.9
338.11584	0.7
339.12241	100.0
340.12674	10.8
353.13831	1.8
356.12518	1.2
371.14862	35.0
372.15051	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1487
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.05547	0.7
69.33815	0.7
69.34214	1.6
72.00600	0.5
88.76274	0.4
91.05558	1.5
93.07095	0.6
105.07115	0.7
106.06543	2.3
107.05077	1.5
115.05517	0.8
119.05002	1.2
121.06535	0.8
131.04953	1.1
137.06007	0.9
145.06514	1.1
146.07300	0.6
147.03493	0.5
147.04407	2.4
165.06993	2.2
166.07870	1.0
167.08539	0.5
173.05998	0.5
175.07613	1.1
178.07735	2.6
179.08678	1.6
181.06596	1.8
182.07320	0.6
184.05246	0.5
189.07129	1.0
190.07874	1.3
191.08714	1.0
193.06573	1.3
194.07332	2.7
195.08113	2.0
196.08719	0.5
198.97552	0.5
202.07886	0.7
203.08662	1.0
205.06627	1.6
206.07248	3.3
206.12759	0.6
207.06364	1.0
207.08177	3.7
208.08891	0.8
209.06076	1.7
209.09671	1.1
211.07767	0.7
215.08656	1.5
218.07393	1.5
219.08006	2.5
220.05205	0.6
221.06009	3.5
221.09631	1.0
222.06715	5.1
222.10213	0.9
223.07513	3.3
224.08330	4.2
225.09218	0.9
231.08067	0.8
232.08833	1.0
232.14098	0.5
233.05994	1.0
233.09692	1.3
234.06735	4.5
234.10393	0.8
235.07510	5.2
236.08316	5.5
237.05394	3.3
237.09041	3.9
238.06155	1.0
238.09984	0.9
239.10701	0.8
240.07767	0.8
246.06860	0.6
247.07617	1.8
248.08366	1.9
249.05516	1.9
249.09088	17.2
249.11642	0.9
250.06218	3.8
250.09816	4.7
251.07133	5.0
251.10736	0.8
252.07788	12.5
253.08527	2.4
260.08405	1.3
261.09103	1.1
262.09760	0.5
263.07013	2.9
263.19516	0.5
264.07806	5.4
264.11136	0.8
265.05008	2.3
265.08563	17.2
265.11807	0.8
266.09338	12.3
267.06763	0.7
267.10037	1.8
268.07474	0.7
275.10669	1.0
277.08569	4.9
278.05994	0.9
278.09357	2.5
279.06549	1.4
279.09683	0.7
280.07315	14.2
280.10757	1.2
281.08023	6.2
281.11133	0.9
282.08960	0.6
293.08130	3.6
293.11749	12.8
294.08813	2.2
294.11920	1.0
295.09595	4.9
296.10382	12.1
297.03998	1.8
297.10913	1.2
298.04807	0.6
300.06006	0.7
306.09103	0.7
307.09744	0.8
309.11124	3.0
310.11899	1.6
311.12732	10.6
312.09738	0.8
312.13098	1.1
313.10617	1.1
321.11185	7.1
322.11514	0.7
324.09827	1.8
325.10654	1.6
327.12283	0.6
339.12241	100.0
340.12683	10.9
343.08411	0.7
371.07410	1.4
371.14835	34.3
372.15042	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	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	2.6
57.89569	2.5
64.32018	2.4
71.04994	2.7
74.75929	2.4
78.04703	2.4
79.05495	14.0
81.07040	4.3
91.05466	17.4
92.05764	2.4
93.07029	2.7
94.04173	6.0
95.04952	6.5
95.29057	2.4
103.05408	5.1
105.07008	3.2
106.06532	4.6
107.04952	26.5
111.04449	5.1
115.05437	5.5
116.06216	4.6
117.03381	3.4
117.07036	4.9
121.06511	3.3
122.03632	15.3
123.04398	7.9
124.05199	4.0
125.05995	4.3
128.06250	6.2
129.07005	21.6
131.04935	4.3
131.08557	11.5
133.02811	5.3
133.10095	4.5
135.04405	4.4
137.02385	3.4
137.05971	94.2
138.06316	3.2
141.06984	3.2
144.05673	9.6
145.02820	3.0
145.06456	6.8
147.04327	2.8
147.06532	3.4
147.07997	3.8
149.05969	5.1
150.03107	9.4
151.03940	5.8
151.07501	4.5
152.04750	3.4
153.05457	8.3
156.05685	22.2
157.06519	13.5
159.08060	22.5
160.05151	4.1
161.05960	7.6
163.03906	8.0
163.07516	3.9
165.05461	4.2
167.07028	100.0
169.06413	5.8
172.05183	5.3
173.05954	5.0
174.06779	5.3
175.07529	29.6
177.05450	10.2
177.09131	3.5
179.06996	4.3
181.05006	3.9
181.06409	5.0
184.05199	4.8
186.06725	8.5
187.07547	29.3
189.09081	12.3
190.07777	3.2
191.06961	6.1
195.06389	4.1
195.08070	3.3
199.07532	4.0
202.06181	9.3
202.07907	4.7
203.08510	9.1
205.06622	5.4
205.08524	9.4
205.10194	3.7
206.07251	5.2
207.08073	4.8
212.46095	2.5
215.06902	6.3
215.08667	5.4
217.06665	3.0
217.08568	69.8
218.07318	12.9
218.09087	3.9
219.07983	9.6
219.09987	2.9
221.09596	10.8
223.07417	4.6
226.06268	6.4
229.08490	2.7
231.08035	7.8
232.08875	3.8
233.05945	2.9
233.09608	17.4
234.06740	8.5
235.07443	12.4
239.06981	12.4
241.08600	19.0
246.06680	3.7
247.07465	5.8
247.09666	36.4
249.05309	3.9
249.09094	21.3
250.09760	6.0
251.06976	9.2
251.10623	4.3
252.07787	7.9
255.01741	4.1
260.08218	5.2
261.09042	25.0
262.09641	4.7
263.06979	11.5
266.09317	8.0
268.07355	3.1
269.08017	11.0
271.06009	3.1
273.02737	7.5
277.08542	19.8
278.09305	16.3
279.06467	4.5
279.09991	5.3
280.07458	4.7
281.11618	12.4
285.07590	22.3
286.08118	4.2
289.08517	8.6
290.09146	5.5
291.06763	3.0
291.10129	5.2
292.10925	3.4
293.04721	3.7
293.08054	6.9
293.11691	23.2
294.08850	4.4
295.09586	7.2
299.08957	3.2
300.09885	24.8
301.10660	25.3
306.08774	10.3
307.09497	9.5
309.11157	20.2
310.11823	4.8
313.10684	9.4
321.11197	37.6
322.12253	3.8
323.09201	5.5
326.11520	11.2
338.11432	11.5
339.12183	3.3
341.13803	13.9
353.13800	54.6
354.13922	4.3
371.14886	35.8
372.15393	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	371.1674
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
58.35632	0.8
65.93980	0.8
70.06576	2.6
70.59244	1.3
91.05766	3.1
97.02878	1.5
101.06011	1.9
111.04445	1.1
123.04398	0.9
126.00826	0.8
129.05469	1.8
147.06483	1.9
160.22876	0.8
187.10823	0.8
199.37856	0.7
234.98936	0.9
237.32082	0.8
250.09726	0.7
371.16721	100.0
372.17084	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.4
56.96538	0.5
57.07066	1.4
65.03951	0.6
69.03424	0.8
69.07064	0.6
69.48775	0.6
69.49088	2.1
70.06576	1.3
78.06644	0.3
82.06573	2.2
83.04977	1.6
83.08610	4.1
84.08131	1.1
85.02906	0.8
85.06521	0.8
95.04993	0.6
97.02883	1.3
98.09688	1.0
98.23422	0.9
99.04452	0.4
100.07609	8.5
100.11252	15.6
101.06008	0.6
101.11610	0.5
106.02912	1.6
109.02857	0.5
110.06030	0.7
111.04438	9.7
112.07587	1.9
113.02366	0.8
117.13940	0.4
123.00754	0.9
124.03938	2.8
125.05981	1.1
126.09145	1.5
128.07062	8.4
129.05455	1.2
133.10143	0.4
140.07045	2.9
141.01773	0.5
147.06497	0.9
151.03850	0.6
156.05693	1.0
167.07022	0.5
168.13802	0.5
169.04945	3.7
169.09679	0.7
182.15384	19.3
183.15768	0.5
191.10449	1.6
192.13774	0.9
200.34055	0.4
203.05235	8.7
209.11414	0.6
209.16537	2.3
210.14870	26.4
211.15248	0.9
217.08626	1.9
218.53549	0.4
227.17529	7.3
228.15906	1.7
244.20174	5.1
250.06995	0.8
259.07886	6.7
268.08212	1.2
336.22729	2.8
337.21146	12.2
337.49133	0.4
341.02701	0.4
353.25626	0.8
354.23816	14.8
355.24005	0.6
371.16736	100.0
371.26367	9.4
372.13150	0.6
372.17133	5.8
377.03989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59908	0.2
54.34698	0.2
55.05498	1.2
57.02485	0.2
57.03397	0.2
67.05471	1.0
69.03430	0.2
69.07011	0.3
71.04971	0.6
71.43247	0.3
79.05490	1.6
81.07036	1.1
83.04965	2.0
84.48355	0.2
85.06497	1.0
91.05471	3.4
91.05998	0.4
93.07037	2.0
95.04964	3.7
95.08577	0.4
97.06507	0.6
98.18457	0.2
99.04438	0.4
101.05974	1.7
105.04450	0.3
105.07020	4.4
107.04931	0.5
107.08566	1.3
109.06481	1.0
115.05425	0.8
116.06133	0.3
117.07027	2.4
119.08556	1.5
121.06500	0.4
121.10146	1.3
123.04180	2.7
128.06186	1.1
129.07004	1.6
130.07776	1.5
131.04868	0.6
131.08548	3.5
133.06464	2.9
133.10107	0.6
135.08028	0.7
141.07037	0.3
142.07813	0.4
143.08537	2.5
145.06454	1.0
145.10101	5.2
147.06456	0.2
147.08028	1.3
147.11710	0.3
149.09595	0.8
153.07007	0.6
154.07733	0.6
155.08530	2.7
156.09297	0.7
157.10086	0.4
158.07179	0.3
159.11664	0.4
161.09590	0.6
161.13286	0.3
165.06976	0.4
171.08011	0.7
171.11668	0.7
173.09593	5.1
185.13248	0.5
189.12750	0.5
191.10670	0.5
195.11688	0.3
200.46638	0.2
213.12723	0.6
227.01717	0.3
231.13707	0.5
253.11978	3.6
271.13010	36.2
272.13351	1.7
279.91724	0.3
286.10202	0.2
312.15579	0.3
353.17206	2.6
371.18240	100.0
372.13959	0.4
372.18588	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22783	10.2
54.87911	8.8
56.96556	9.7
69.07059	11.5
69.42638	13.5
69.43044	32.7
76.98290	10.8
79.05506	24.3
89.03899	9.0
95.04954	11.6
107.04936	22.4
111.04408	9.4
122.03738	17.0
123.04430	17.9
129.06966	16.9
131.08530	10.4
132.05646	9.4
133.02827	10.8
133.10106	38.0
135.04416	12.1
137.09622	12.7
147.04501	12.8
147.07991	11.9
150.03076	42.6
153.05466	36.1
163.03880	45.9
167.07025	100.0
175.07523	36.7
175.62242	9.4
178.02623	11.8
187.07558	16.1
191.03444	15.0
196.21475	9.7
247.07613	11.8
249.09074	14.5
255.01740	24.5
273.02814	20.7
277.08286	10.4
341.13855	28.8
371.07532	11.3
372.15421	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	371.2063
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03932	1.5
55.01858	1.2
55.05507	1.8
57.03423	1.0
59.04980	1.1
61.02906	2.3
67.05486	3.8
69.03421	5.3
69.07059	3.1
69.87386	2.4
71.04977	2.7
75.13272	0.7
79.05490	2.2
81.03388	2.5
81.07050	2.8
83.01294	0.7
83.04960	1.4
83.08588	0.7
85.02897	14.9
85.06536	1.0
87.04474	0.7
91.03937	0.8
91.05456	4.7
93.07037	8.7
95.04963	1.5
95.08598	42.4
97.02870	4.6
97.06525	9.5
99.04432	1.4
99.08089	1.4
105.07015	9.5
107.04961	0.8
107.08582	10.4
109.02881	1.5
109.06523	1.8
109.10144	5.4
111.08080	1.1
115.07584	1.6
119.08565	2.9
121.06530	1.1
121.10135	11.0
123.08060	2.0
123.11674	2.9
124.86700	0.7
125.09619	0.8
127.03902	2.1
131.08543	8.6
133.10115	100.0
134.10449	3.2
135.08034	3.5
135.11659	2.5
139.11125	1.2
143.08542	2.2
145.04941	4.2
145.10091	2.8
147.11661	2.5
149.09624	4.6
149.13292	4.4
151.11174	14.7
158.10880	4.4
163.14784	5.6
173.13242	31.0
174.13591	1.5
191.14279	38.5
192.14668	1.3
209.15353	7.9
371.16736	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.01863	1.4
55.05492	1.0
57.03442	0.8
59.04975	1.0
60.83644	0.6
61.02915	2.1
66.19660	0.8
66.30170	0.6
67.05488	4.1
69.03423	5.6
69.07059	3.0
70.57518	1.4
71.04988	3.5
79.05477	2.8
81.03404	1.9
81.07039	4.1
83.04966	3.9
83.08603	1.5
85.02893	12.9
91.05463	5.6
93.07044	7.4
95.04951	2.6
95.08601	27.4
95.09217	1.5
96.08936	0.9
97.02884	4.4
97.06528	7.7
99.08073	1.1
105.07017	12.0
106.06590	0.7
107.04935	2.0
107.08592	11.7
109.02835	0.9
109.06505	1.5
109.10142	4.2
111.08031	0.8
115.05496	1.0
115.07529	1.6
117.06976	1.1
119.08558	5.9
121.06519	1.4
121.10135	11.2
123.08044	2.1
123.11710	1.6
124.05215	0.9
125.07121	1.5
125.09617	1.7
127.03931	2.2
129.06992	1.8
131.08559	8.8
133.10118	100.0
134.10469	4.7
135.08044	2.8
135.11687	2.5
137.06009	1.4
139.11166	1.4
143.08549	2.6
145.04929	2.4
145.10100	3.1
147.11684	2.9
149.09599	3.4
149.13248	4.8
150.13448	0.7
151.11168	18.2
157.06606	0.9
158.10884	4.7
163.14813	5.2
167.06998	3.6
173.13242	32.1
174.13591	2.5
187.07474	0.9
189.09093	1.1
191.14288	39.5
192.14690	1.9
203.08505	1.0
207.20326	0.8
209.15402	6.5
215.08553	1.1
215.14377	0.7
218.07307	2.6
219.07964	1.1
231.08031	1.2
232.08841	1.4
232.81299	0.7
233.09622	2.9
235.07562	1.6
246.06699	1.0
247.07571	1.6
248.08322	1.5
249.09099	1.6
250.09756	1.2
260.08258	1.1
261.09027	4.3
262.09744	0.7
263.07025	2.3
277.08578	1.6
278.09357	2.8
289.08624	1.3
293.11597	1.7
306.08875	0.9
307.09644	0.7
309.11435	0.8
321.11102	4.8
339.12299	1.9
341.13675	1.1
353.13773	5.1
353.20602	2.6
354.14175	0.8
371.14926	5.7
371.21191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.49028	1.9
55.05503	3.0
56.96552	5.5
58.85759	1.7
61.02914	5.1
61.53753	2.0
64.25231	2.0
67.05492	2.6
69.03423	16.1
69.07051	3.0
69.53420	4.3
69.53807	3.7
73.04131	2.1
75.15311	1.9
79.05468	3.5
81.03395	6.4
81.07055	2.8
83.04932	2.7
85.02895	27.9
87.83049	2.2
88.25414	2.3
91.05414	2.1
93.07066	2.9
95.04970	2.9
95.08580	3.3
97.02879	8.6
98.22739	2.5
99.76422	1.7
105.06999	5.4
106.06534	7.9
107.08588	7.8
108.57253	2.1
109.02927	3.3
109.06523	5.6
109.10128	3.1
115.50367	2.0
119.08563	6.3
121.10142	12.5
121.51772	2.5
123.08058	4.0
123.11710	3.4
127.03891	6.2
129.05461	2.5
133.10101	4.0
135.08084	2.9
137.09641	12.4
145.04947	7.9
149.09586	10.3
149.13210	5.2
151.11131	12.6
158.34113	2.0
165.12759	43.6
191.03421	4.6
191.14287	14.2
193.15916	2.8
209.15358	100.0
210.15625	5.5
211.02892	2.0
219.61505	2.2
230.50336	2.1
237.00690	2.9
240.44975	2.2
255.01724	7.9
273.02692	9.8
303.42099	2.0
371.16415	3.1
372.47318	2.3
389.06091	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	371.2062
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.86111	1.1
53.03920	1.6
55.01865	1.9
55.05502	11.3
57.03432	3.4
57.07064	5.2
67.05504	4.8
69.03421	25.6
69.07064	4.2
69.40746	6.0
70.06580	2.6
71.04980	2.2
73.02908	1.4
74.21458	1.3
78.03439	3.3
79.05482	4.2
80.09705	1.1
80.86030	1.3
81.03400	8.1
81.07047	12.7
81.68387	1.1
82.06560	2.2
83.04974	13.8
83.08609	6.1
84.08132	1.4
85.02892	14.5
85.06534	4.4
91.05472	4.3
93.07024	5.7
95.04975	2.1
95.08595	8.7
97.02892	5.6
97.06534	2.9
99.04442	2.8
99.08076	2.2
100.07615	11.1
100.11271	13.5
105.07032	6.9
106.02907	9.9
106.06548	20.8
106.07233	2.2
107.08585	21.6
109.02872	3.8
109.06509	15.1
109.10164	3.4
110.06037	4.2
111.04436	10.8
111.08067	12.9
112.07620	1.4
119.08588	5.5
121.06503	3.1
121.10138	12.2
123.08051	5.7
123.11703	4.1
124.03936	15.9
125.05988	1.3
125.09617	35.7
125.10512	2.5
125.29116	1.1
126.09143	1.7
127.03893	6.1
128.07069	7.9
128.07880	1.3
129.05429	2.4
129.07025	1.3
130.20720	1.1
131.08557	10.4
133.10110	8.6
135.08031	23.9
135.11667	6.3
137.09666	1.8
140.07014	2.0
143.08537	4.0
145.05009	1.5
145.10109	6.7
147.11720	4.4
149.09608	12.3
149.13264	5.8
150.10378	1.9
151.11147	2.2
153.09119	10.2
157.10133	1.8
158.10912	4.6
161.09596	3.5
163.11107	5.8
163.14809	6.4
165.12747	3.2
167.10722	2.4
169.04956	2.0
173.09601	3.2
173.13239	21.5
173.14586	2.3
176.11963	3.1
182.15373	19.8
191.14284	97.4
192.14618	4.4
203.05260	3.3
203.14255	1.3
209.15324	100.0
210.14809	22.3
227.17479	7.3
228.16003	1.7
231.13733	3.0
244.20152	6.2
250.07024	5.5
259.07852	3.9
268.08197	6.0
285.01114	1.6
336.22867	1.9
337.21173	8.4
353.19525	3.3
354.23825	12.1
355.07098	1.2
371.11072	11.7
371.16656	17.7
371.20734	15.1
371.26468	6.5
372.09155	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61381	3.3
81.07062	0.9
87.04457	10.4
95.08611	0.9
95.35809	0.8
98.22659	0.9
116.97390	0.8
118.16695	0.7
121.10149	1.2
133.06476	1.8
134.06793	0.8
135.14632	0.7
142.56702	0.7
147.11664	1.1
169.06061	0.8
228.10941	1.0
255.28134	0.8
275.56326	0.7
283.16867	0.8
284.17203	3.1
341.24478	5.5
371.25531	100.0
372.25858	6.9
372.31049	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	371.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	9.8
57.14785	0.7
58.06588	2.6
63.82972	0.6
69.07066	2.0
71.08617	7.5
74.09696	1.4
81.07040	2.6
83.08619	0.9
85.10173	4.4
93.36076	0.8
95.08594	3.6
109.10165	3.0
111.11702	0.9
139.47424	0.8
146.68747	0.7
198.38058	0.7
202.06360	0.8
204.21666	0.7
211.20532	1.4
215.27643	0.8
268.26321	100.0
269.26654	4.6
286.37811	0.7
310.30975	1.0
372.34753	2.9
378.60724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25027	2.3
98.22697	6.1
113.73060	2.6
137.90800	2.4
262.23923	2.5
331.09384	100.0
332.09818	6.6
343.08212	6.9
347.01276	2.6
348.47577	2.9
372.11975	3.8
373.12796	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	372.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.69800	0.2
69.03423	0.5
69.61538	0.9
69.61868	0.3
77.03917	1.0
79.05493	1.6
81.03416	0.3
85.02905	0.6
87.00774	0.3
95.04956	0.8
96.04517	0.4
97.02882	0.5
98.22662	0.4
105.03385	1.3
106.06546	100.0
107.06878	3.0
107.07565	0.3
110.06056	0.3
113.10953	0.2
118.06506	1.1
120.04458	0.4
124.07585	0.7
133.02863	2.4
138.05582	0.3
148.03912	3.6
148.05017	0.4
152.07144	0.4
166.04985	0.8
170.08134	0.3
194.04543	1.8
212.05511	0.6
222.94600	0.3
244.65164	0.2
275.32138	0.2
354.12073	0.3
372.06964	0.5
373.14758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10184	3.7
57.07092	7.2
66.56207	4.4
69.07075	4.9
71.62218	3.7
72.42439	3.8
74.06046	3.6
87.03947	8.1
87.04458	69.8
122.91402	4.2
193.06673	5.1
193.10162	6.7
207.08063	4.7
207.11662	6.3
209.09691	6.0
219.08058	16.8
220.81042	3.7
221.09578	12.3
233.09578	6.0
234.10355	8.2
235.11130	19.1
237.09224	6.7
237.12711	48.9
238.13106	4.0
240.11443	9.6
244.01459	4.1
252.11389	31.4
253.12120	8.6
277.15808	17.2
280.14627	9.5
295.16919	100.0
296.17352	5.9
309.26715	4.3
312.09958	5.2
312.28946	11.5
343.08093	19.7
346.27826	3.8
357.09167	4.6
372.30917	28.0
372.34805	13.2
373.12796	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	373.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30045	0.9
52.15804	0.9
56.96568	2.4
61.57718	0.9
70.62446	0.9
77.37709	0.9
88.55602	0.8
91.05831	0.9
97.02905	1.6
98.97580	8.9
101.00868	1.3
116.26654	0.9
116.98598	8.5
119.01920	5.9
130.56779	1.0
134.99677	5.2
137.02959	1.4
177.00940	13.9
177.02345	1.7
178.01025	1.4
179.00722	2.3
182.99817	1.2
193.02275	1.4
201.00945	5.1
205.02324	1.2
206.92603	1.3
210.50522	1.0
212.02588	2.2
217.04103	1.5
219.01994	83.7
220.02142	9.6
221.01797	5.2
228.81703	1.2
230.03581	30.4
230.05757	1.8
231.00174	2.0
231.03894	3.7
234.99831	1.7
235.03363	1.6
236.99634	2.1
242.03564	3.5
243.01883	6.4
247.01378	1.6
249.01340	1.8
258.99820	6.9
260.00125	2.1
260.99948	2.5
261.03058	58.6
262.03287	7.4
263.02899	3.0
265.02646	5.2
274.97668	1.5
276.98074	1.4
277.00775	7.2
279.00858	1.7
283.00040	6.1
283.04990	3.1
283.99936	2.3
295.03580	5.5
300.46716	1.2
300.97952	1.6
301.00983	7.4
301.06161	4.0
302.01056	2.1
313.04761	51.6
313.07980	8.1
314.04767	5.3
314.07959	1.1
316.98682	1.7
318.98572	2.3
331.02335	4.2
331.05807	100.0
332.05966	15.0
336.06390	1.2
340.98834	1.2
348.93735	1.5
349.03308	1.7
349.08261	1.2
350.05832	2.0
354.07227	1.5
361.99857	1.3
373.02612	1.1
373.06744	5.8
391.02939	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	2.8
59.62851	1.3
63.02462	1.5
70.09197	2.4
70.09528	2.7
73.04784	2.3
75.04482	1.8
79.05514	1.9
84.04501	82.6
84.08157	1.8
85.02882	2.9
91.05456	3.4
98.22708	2.0
101.07162	8.7
107.05010	1.9
109.06520	1.9
119.04972	1.5
121.06470	1.3
121.29661	1.6
123.04426	5.0
130.04994	100.0
131.05336	2.6
137.05959	15.9
139.03891	3.3
139.07588	1.9
140.26402	1.6
147.04430	4.0
147.07637	97.8
148.07971	2.2
149.05928	2.2
150.03152	4.0
151.03986	2.0
153.05473	31.6
154.06215	3.5
158.05913	1.7
162.05473	1.5
165.01869	3.2
165.05449	2.8
167.05705	2.6
167.07030	23.6
180.04214	4.7
188.07050	2.4
190.08690	2.1
200.07019	2.2
204.06422	1.8
212.06810	5.4
218.08087	4.4
227.09111	28.0
230.08165	4.2
230.52275	2.1
231.05444	2.1
246.07581	12.1
247.08212	1.8
248.09224	2.9
263.10168	3.2
265.11801	1.5
265.50497	1.7
274.07104	6.7
291.10049	1.3
292.08105	9.8
309.10800	20.0
373.14337	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63347	1.3
56.05043	1.7
57.06476	1.3
68.46149	1.3
70.55421	2.4
81.07045	1.7
82.98716	1.3
84.04500	77.6
85.02876	2.6
91.05482	2.9
101.07166	6.9
102.05542	2.6
107.04946	2.2
119.04924	1.7
123.04421	5.4
130.04993	100.0
135.04388	1.6
137.05965	14.9
139.03882	3.8
139.07544	3.0
147.04416	3.9
147.07635	84.7
148.99512	1.3
150.03116	4.7
150.05363	1.5
152.04601	1.5
153.05458	31.6
154.06224	4.9
165.01863	2.5
165.05400	3.4
167.07016	20.1
177.05469	1.8
180.04114	4.3
181.04955	2.8
188.07008	1.8
190.08649	2.2
198.07568	1.7
200.07158	2.1
212.06802	4.7
218.08078	4.2
220.09692	1.7
227.09123	18.6
230.08133	3.2
231.05168	1.7
246.07545	12.3
248.09189	4.8
263.10233	3.0
274.07181	6.6
291.09424	1.7
292.08090	10.5
309.10791	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	373.1645
Annotation	MEGxp0_001756
Peak:m/z	Relative Intensity
69.83659	3.0
79.05485	2.0
86.09694	1.5
91.05479	2.8
95.04959	1.4
103.05472	8.2
103.26887	0.9
105.02792	1.0
105.07034	4.1
107.04952	7.6
110.51994	0.9
113.92849	0.9
115.05470	2.2
117.07040	1.7
118.04163	3.9
121.06495	1.5
123.04472	1.6
124.05192	1.2
128.06253	1.2
130.04135	2.7
131.04926	21.8
131.08609	1.0
132.05653	1.7
133.06485	5.8
135.08003	1.2
137.05968	4.2
141.06960	1.9
145.06532	1.5
146.03639	1.6
147.04395	1.8
148.05165	1.9
149.05968	1.2
151.07559	2.6
159.04404	2.6
160.05199	1.4
161.05948	7.4
163.07539	3.0
165.07028	3.0
167.07062	13.1
168.07434	1.1
169.06487	1.9
173.05951	2.5
175.07544	36.9
176.04774	5.4
176.06120	1.4
177.09146	1.5
177.88882	0.9
178.07793	3.5
179.07143	1.1
179.08545	3.6
181.06493	1.5
181.08516	1.2
183.08104	1.5
187.07593	0.9
189.07021	1.4
190.07762	1.6
191.07024	57.4
191.08432	3.1
192.07483	2.7
192.09270	1.0
193.08595	19.0
194.07327	3.5
195.08041	4.1
196.08714	1.1
201.09103	1.6
202.07726	4.3
203.08598	3.3
205.06508	2.6
205.10175	1.9
206.07253	1.7
207.08086	5.7
208.08794	2.1
209.06097	1.1
209.09619	3.9
210.10371	1.1
211.07643	2.4
217.10112	1.4
218.07309	0.9
219.08057	4.4
219.10025	1.9
220.08882	4.3
221.05945	3.4
221.09596	3.4
222.06767	5.6
223.07515	4.6
224.08333	4.2
225.09029	1.9
231.07968	2.8
233.06055	1.9
233.09665	2.2
234.06728	3.1
234.10335	1.9
235.07533	9.6
235.11154	9.4
236.04521	1.1
236.08310	3.3
237.05437	2.6
237.09067	7.3
238.09789	2.5
239.07071	5.2
239.10654	1.1
245.09654	2.3
247.07565	3.5
248.08391	4.2
249.05252	1.6
249.09044	4.6
250.06270	6.9
250.09734	1.1
251.07056	9.7
251.10690	1.7
252.07707	3.2
253.08589	4.4
254.09399	2.6
261.09055	2.1
262.09943	1.5
263.07141	6.4
263.10593	8.3
264.07813	4.9
265.08575	11.7
266.09381	4.3
267.06546	1.6
267.10214	6.7
268.10675	1.3
269.11731	1.8
272.99835	1.3
276.07727	2.5
277.08560	5.9
279.06577	3.2
279.10141	3.6
280.07205	3.1
280.10959	3.4
281.08405	2.0
281.11707	6.6
282.08890	3.2
283.09552	1.5
291.10168	6.0
292.10837	1.5
293.08148	3.1
293.11731	4.6
293.36896	1.1
295.09686	11.2
295.13293	2.7
297.11221	4.5
298.12158	1.4
299.09146	4.1
305.12128	1.3
307.09406	1.3
308.10425	8.4
309.11194	60.9
310.11838	11.3
311.12756	2.7
313.14395	3.0
314.11417	2.3
323.12769	9.3
324.13306	1.8
325.10580	1.4
327.12247	8.2
329.13748	8.8
330.13910	1.2
340.13037	1.2
341.13809	100.0
342.14258	9.5
355.15326	5.3
356.15930	1.2
373.16440	37.0
373.20139	1.3
374.16730	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	373.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03138	0.8
57.95973	1.0
60.86441	0.9
65.51299	0.9
70.29486	2.1
81.03429	1.1
84.08131	1.6
85.02892	2.0
86.09687	4.4
91.05792	1.6
97.02892	1.9
103.11174	0.9
130.04945	1.0
137.06007	3.0
145.02858	2.3
147.07632	1.3
149.06087	1.1
163.03903	1.1
177.05412	5.8
187.89168	0.9
193.11955	1.2
195.06543	2.4
203.05234	16.8
224.71609	1.0
296.57730	1.1
329.12039	3.0
373.10687	2.9
373.14825	6.5
373.18362	100.0
374.18607	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	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91148	0.4
59.95687	0.4
63.34427	0.4
69.40362	1.7
69.40769	0.9
84.08126	0.8
103.99636	0.4
111.04455	0.6
126.01015	0.6
128.02606	0.6
137.05968	1.1
151.03891	3.4
151.04985	0.8
161.06001	0.8
162.76196	0.5
163.03915	2.0
170.05183	0.6
193.12021	2.0
201.03743	0.9
203.05267	5.5
211.13037	0.7
212.05650	1.8
246.07753	0.5
267.09717	0.5
278.06686	0.5
343.11682	1.8
356.18848	0.5
373.18317	100.0
374.14401	0.7
374.18677	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	373.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.1
69.42130	2.1
70.18684	0.5
72.08140	2.4
80.84711	0.5
81.03410	0.9
84.08147	1.6
85.02900	2.8
86.09692	4.0
89.03912	2.0
91.05451	0.7
97.02871	1.1
101.84183	0.6
103.19363	0.6
105.03371	1.4
106.02911	1.0
106.06551	1.2
110.06027	0.7
117.03385	4.0
124.03965	1.1
127.03860	1.2
135.04385	0.8
136.08702	0.6
137.05942	1.7
145.02843	10.9
145.04927	0.7
149.05962	1.5
151.03914	1.9
163.03925	3.0
177.05455	30.7
185.12834	0.8
188.07130	1.0
192.14690	0.6
193.12006	2.0
195.06512	11.9
195.13524	1.1
199.18172	0.7
201.03685	2.2
203.05281	5.4
212.05583	0.8
219.06616	0.6
275.47763	0.5
307.26712	0.6
309.07629	0.8
337.70273	0.6
373.18307	100.0
374.18716	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	373.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.88501	0.1
54.82116	0.1
65.03930	0.5
66.04728	0.2
67.05486	0.2
70.22270	0.4
72.09408	0.1
77.03931	0.3
78.04707	0.5
79.05466	1.1
80.06281	0.9
90.04697	0.8
91.05470	4.2
93.03377	0.2
93.07040	0.3
94.04167	0.2
95.04939	0.6
103.05450	1.2
105.03364	0.4
105.04497	0.4
105.07024	0.8
105.27401	0.1
106.04172	0.8
107.04944	8.0
107.08625	0.2
108.05743	3.4
109.06546	0.9
110.66232	0.1
115.05442	0.5
117.07006	1.2
118.04131	0.4
119.04942	0.3
119.05998	0.2
119.08577	0.3
120.77458	0.1
121.06493	2.6
122.03653	0.1
122.07314	0.2
123.04424	0.2
123.08039	0.5
124.19246	0.1
128.06195	0.2
129.07002	0.4
131.04912	2.0
133.06487	1.2
134.07271	0.2
135.04393	2.8
135.08049	1.5
136.05188	6.6
137.05977	3.8
138.06721	0.5
139.07513	0.3
139.53476	0.2
143.04985	0.2
144.05666	0.3
145.06467	1.3
146.07254	1.7
147.08034	4.1
148.61278	0.1
149.05965	0.6
149.09564	0.3
150.06764	1.8
151.07524	100.0
152.07845	3.4
153.09053	0.2
155.26439	0.1
157.06467	0.3
158.07281	0.4
159.08047	0.7
160.08818	1.3
161.05978	0.7
161.09584	0.8
162.06725	0.4
163.07521	3.8
164.08315	0.6
165.09097	7.8
166.09465	0.4
171.08020	0.5
172.08820	0.4
173.05945	0.4
173.09543	0.2
174.06775	0.6
175.07497	0.9
176.08316	1.1
177.09093	8.0
178.09624	0.6
179.10640	0.9
186.10373	0.5
187.07483	0.5
188.08339	0.9
189.09052	2.0
190.09665	0.1
191.10655	2.7
192.10905	0.1
201.09114	0.3
202.09822	0.4
203.10622	2.2
204.11150	0.2
205.12303	0.3
211.12520	0.1
217.12212	2.3
221.11642	0.2
261.69568	0.1
309.15027	0.4
323.16400	0.5
324.17264	0.3
325.14206	0.1
340.16656	13.4
341.17001	1.1
343.08093	0.4
355.18973	3.0
355.31052	0.1
356.19324	0.3
373.12897	1.2
388.57785	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70361	4.6
57.83532	5.0
67.05494	15.4
69.03429	8.2
69.07052	6.5
77.03479	4.7
79.05489	6.7
81.07055	14.1
85.02895	20.6
85.06567	7.3
86.09684	5.6
91.05457	5.9
93.07057	8.8
95.04968	6.0
95.08615	10.0
97.10196	4.9
103.10223	4.9
105.03365	4.8
105.07018	7.9
105.53562	4.3
107.04968	20.4
107.08570	9.4
109.06507	6.7
109.10139	34.1
111.08083	5.0
119.08562	15.0
121.10148	6.9
123.04436	8.4
123.08116	4.8
127.03985	5.3
133.02867	24.8
133.10098	8.9
135.11667	29.5
136.81346	5.7
137.05975	6.9
137.09601	8.5
151.03888	22.0
161.02312	9.5
163.03932	7.5
167.07021	11.4
175.14827	15.9
179.01872	3.5
179.03375	100.0
188.03406	10.4
193.08476	5.9
193.15895	21.0
211.16969	22.0
220.05240	6.8
221.06023	11.5
234.15764	7.6
239.11861	6.4
244.25479	6.6
259.09668	7.1
263.06946	5.9
277.05029	21.1
281.08121	7.1
294.05252	11.3
299.09048	8.8
309.07581	57.6
310.07867	6.7
313.11737	15.5
325.20868	5.3
327.08524	9.3
341.10931	7.6
373.13986	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.6
56.38230	4.1
57.82991	3.7
62.64811	4.0
65.03938	5.1
67.05493	8.3
69.03425	17.9
69.86934	12.7
81.03416	10.0
81.07049	6.5
81.45538	4.5
83.04997	4.8
85.02914	40.6
86.09715	20.0
87.00829	15.4
91.05475	77.8
93.07043	6.4
95.04967	6.2
95.08601	5.8
97.02869	14.5
99.04465	5.9
99.08076	8.3
105.01856	25.5
107.08619	5.6
109.02889	15.9
109.06560	4.2
109.10153	17.1
115.05440	4.5
118.52843	3.6
119.08564	8.5
121.10144	4.5
123.04466	6.3
127.03899	21.6
130.03149	4.1
133.10135	14.8
135.11687	13.4
137.05981	16.8
137.09593	11.3
145.04906	11.6
147.50037	4.0
151.03893	23.0
159.02867	9.8
159.04361	4.1
161.05945	12.1
165.23697	3.9
175.07541	4.9
175.14828	12.6
177.05405	6.4
177.06868	5.4
179.03398	8.9
189.05475	6.6
193.15880	16.4
205.06453	12.4
211.07536	4.6
211.16898	6.0
221.05920	19.9
222.06615	6.6
223.07484	8.4
231.04977	6.5
233.05963	7.9
234.06723	4.5
235.07536	16.8
238.06122	5.9
249.05438	32.3
250.06226	7.4
251.07048	9.4
253.08664	5.1
263.06927	6.7
265.08420	7.1
266.05701	15.1
271.04266	11.0
277.04974	15.6
278.05484	6.4
281.08026	29.0
283.09586	9.9
291.06522	8.8
294.05182	27.7
295.05856	6.3
299.09067	7.2
301.49167	4.2
309.07535	92.6
309.10800	7.3
310.07953	9.9
311.08987	6.9
327.08676	9.3
343.11813	4.9
355.07996	9.1
373.11203	9.5
373.13324	7.7
373.18243	100.0
374.18521	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	373.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	24.3
55.44464	2.7
57.07072	12.0
61.61738	2.8
65.03938	3.2
67.05492	30.4
69.03398	3.9
69.07060	50.2
70.06566	6.6
70.39784	5.8
71.04961	5.4
71.08625	3.8
72.27537	3.1
74.06057	5.3
79.05480	25.0
81.07047	85.5
83.08613	19.5
85.06553	4.6
87.04456	6.5
88.07635	14.6
88.20859	3.1
91.05463	22.4
93.07034	58.4
95.04953	7.2
95.08601	88.0
97.06471	3.7
97.10163	11.3
102.09195	4.6
105.07008	51.4
107.08580	56.7
109.06496	6.0
109.10142	61.4
111.08073	3.1
111.11651	3.4
115.07542	5.6
117.07005	6.7
119.08571	42.1
121.10134	48.4
123.11694	28.7
131.08549	14.2
133.10118	35.2
135.11662	37.0
137.09569	6.9
137.13251	11.4
143.08556	7.3
145.10071	22.9
147.11653	37.0
149.13229	28.2
150.10124	2.9
150.11334	3.7
153.01826	4.3
155.10600	6.8
157.10085	11.7
159.11673	28.6
161.13242	30.8
163.14767	19.8
165.12735	4.5
171.11684	8.0
173.13260	15.6
175.14813	17.9
177.16397	9.5
183.02936	4.5
185.13197	6.1
187.14848	14.2
189.16393	18.0
191.17978	6.1
199.14763	6.3
201.16353	7.8
203.17970	27.6
203.19662	4.6
205.19452	4.9
211.02438	5.9
213.16367	6.2
215.17917	15.4
217.19513	8.7
229.19484	7.9
231.21021	3.9
245.22655	15.6
271.06009	4.1
285.25784	7.0
297.07602	3.7
299.05444	4.4
300.06094	4.2
312.09747	5.0
312.32678	12.0
315.08423	7.8
317.24802	5.0
327.04907	4.6
329.10168	5.7
341.10657	3.3
343.08084	67.5
344.08368	7.0
355.29755	14.9
357.09607	6.4
358.10428	8.8
373.12811	100.0
373.25760	9.1
373.30969	99.0
373.35303	2.9
374.13013	12.0
374.31165	8.7
374.36234	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	374.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02346	0.6
70.71822	0.4
72.28814	0.5
78.03382	0.3
79.05471	1.8
79.91656	0.4
89.03909	13.1
95.04929	0.9
106.06553	2.6
107.04940	3.9
107.06890	1.0
109.05264	1.1
110.06032	2.9
113.95985	0.4
117.03366	13.7
120.04418	0.4
121.02825	0.6
135.04404	25.2
136.04720	0.9
137.04657	0.8
138.05486	3.4
145.02843	15.0
148.03941	7.1
149.04211	0.5
156.25140	0.4
156.70122	0.4
163.03885	100.0
164.04216	2.7
166.04974	8.6
184.06055	1.1
194.04517	3.1
195.02901	0.6
212.05519	40.1
213.05882	1.1
223.72963	0.4
237.58157	0.5
293.38321	0.5
302.86246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01860	4.0
57.03416	2.9
59.37651	0.8
61.02913	3.4
65.03928	3.6
68.99773	2.5
69.03424	15.3
70.76496	1.3
70.76833	0.9
71.04984	1.9
73.02895	2.4
76.84024	0.9
81.03413	12.3
85.02895	43.3
87.00824	19.8
91.05471	100.0
92.05822	2.2
97.02892	16.3
99.04436	5.3
101.02342	1.1
105.01858	23.2
105.07027	2.3
108.04448	2.6
109.02870	11.0
117.01830	2.4
118.46057	0.9
127.03034	1.9
127.03910	26.0
127.04852	1.4
128.04225	0.9
129.01834	1.9
129.06990	2.2
137.05963	3.7
140.39372	0.9
145.04935	14.5
145.06200	1.3
145.06551	1.5
147.02902	1.2
151.03880	8.2
151.04997	2.1
157.06453	1.5
159.02907	7.8
159.04117	1.6
170.11035	0.9
171.08067	1.8
175.07544	1.8
189.03902	2.5
199.07541	1.1
203.07008	2.6
231.04976	6.6
249.06038	1.5
365.67480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56757	5.4
89.03912	4.4
98.44312	3.1
109.02883	3.9
117.03376	9.9
127.03908	3.7
145.02844	50.3
149.05977	5.3
163.03839	4.4
177.05446	100.0
177.39487	3.2
178.05664	3.7
190.02167	3.4
195.06534	39.1
211.49828	3.6
250.12480	3.3
360.00336	3.5
374.18677	8.4
375.16232	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01863	2.3
57.03428	3.0
61.02913	1.3
61.20150	1.1
65.03953	2.4
69.03426	20.8
70.22152	2.4
71.01344	1.2
71.04980	4.1
73.02917	2.1
81.03415	12.1
81.07079	1.3
81.19629	1.1
83.01350	1.8
85.02895	24.6
86.09705	1.6
87.00826	13.8
91.05471	84.0
92.05814	1.9
95.08572	1.8
97.02258	2.0
97.02882	33.2
98.97598	1.1
99.04433	9.4
105.01852	10.3
105.07030	1.3
109.02879	5.2
115.96216	0.9
117.03477	1.0
122.03624	2.0
125.09637	2.8
126.51268	1.2
127.03902	30.2
131.04921	1.1
133.10083	1.3
137.05965	100.0
138.06331	3.7
145.04947	19.3
151.03903	2.6
152.04227	2.1
177.05429	3.2
195.10138	3.5
212.12852	1.6
222.02518	1.3
231.04945	19.6
249.06104	4.5
374.23572	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30942	0.5
53.03925	0.9
55.01852	0.6
56.25172	0.6
57.03420	1.5
61.02914	1.9
67.46569	0.6
69.03414	4.2
69.54865	2.6
74.77091	0.5
76.64474	0.6
81.03403	2.2
85.02898	14.6
86.09694	2.2
89.03905	5.6
91.03943	1.0
91.05463	0.9
97.02879	3.8
99.04415	0.8
109.02872	1.3
117.03372	16.6
118.03635	0.5
125.06019	0.7
127.03919	3.5
134.03595	2.1
135.04399	2.4
143.31070	0.5
145.02835	45.5
145.04935	3.6
146.03218	1.0
147.36153	0.6
149.05963	7.7
153.05472	0.8
163.03883	5.1
175.57996	0.6
177.05452	100.0
178.05769	3.3
180.08638	2.0
195.06509	47.9
196.06830	1.9
212.05615	0.8
374.18607	5.5
375.16281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09143	1.2
60.83270	1.2
69.66290	4.9
85.24220	1.3
90.15205	1.2
96.28499	1.3
178.07863	2.0
203.08571	1.6
204.09302	13.7
205.09897	2.0
219.08264	2.5
219.11670	26.6
220.12178	1.6
224.08279	5.6
229.10132	3.6
232.08813	8.5
237.09125	2.4
237.12813	1.9
247.11166	43.5
248.11577	4.0
250.09869	1.9
264.81940	1.3
265.12216	100.0
266.12613	6.8
283.13354	10.2
284.13690	1.7
325.14294	9.0
374.12845	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
61.36910	0.4
62.49250	0.5
67.05477	1.5
70.37137	1.2
79.05482	1.3
79.22173	0.5
81.07037	1.0
81.28536	0.5
82.76317	0.4
91.04933	0.5
91.05445	2.7
93.07030	0.6
96.08096	2.5
105.07030	2.5
115.05423	1.7
117.07009	14.5
119.04961	0.6
119.08571	8.5
123.09183	0.5
124.03955	0.6
124.07567	1.6
128.06213	1.0
129.06981	1.1
129.25096	0.6
130.07832	2.5
131.08528	2.0
133.06447	0.7
136.07614	1.3
136.14548	0.6
142.07729	0.6
143.08562	5.1
145.06477	3.5
145.08876	2.2
145.10085	14.8
146.10435	0.7
147.08029	2.2
147.11649	1.3
155.08543	6.4
157.10136	1.7
158.07185	1.4
159.08078	1.1
160.11200	2.4
167.08466	0.7
168.09338	1.2
169.10109	1.8
170.09567	1.0
171.08022	1.2
171.11642	1.0
173.06004	5.5
173.08371	1.1
173.09630	3.3
179.08572	0.7
181.10107	0.8
182.10875	1.5
183.11681	2.4
188.10712	3.7
192.09306	1.4
194.10931	0.6
196.07527	0.9
197.13257	3.9
199.07576	0.8
201.09055	0.9
207.11627	1.9
210.10329	0.6
211.14856	0.5
214.08653	1.6
214.15938	0.6
216.10168	100.0
217.10524	4.8
225.12703	2.2
226.12888	0.5
228.10257	0.9
244.13287	20.8
245.13712	1.1
247.54692	0.5
252.13815	1.0
253.12192	4.0
260.14804	0.6
270.14850	33.2
271.15128	3.1
281.15356	1.4
298.17978	19.3
299.18307	1.3
302.17468	61.0
303.17758	3.6
330.20593	46.7
330.24713	0.9
331.21008	3.7
358.52643	0.6
361.58972	0.5
374.13049	0.6
374.15121	0.6
374.19482	4.9
390.12979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	0.4
57.07070	8.3
58.06596	2.1
68.04985	0.6
68.57004	0.3
69.07031	0.4
70.06585	20.1
70.06943	0.7
71.05942	0.4
71.08624	3.9
72.08114	0.5
74.06071	0.4
77.32432	0.2
82.55299	0.2
84.08113	0.3
85.10175	1.6
86.06007	0.3
86.09637	0.4
88.07619	25.4
89.07879	0.3
90.89023	0.3
95.05089	0.2
102.09167	17.0
107.97117	0.3
131.09486	0.2
132.10130	1.0
146.11685	0.7
150.11165	0.8
206.24622	0.2
268.29941	0.9
286.30914	0.6
294.31381	0.3
312.32553	42.0
313.32913	2.1
356.35144	2.5
374.36240	100.0
375.36557	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.107
Annotation	Casticin
Peak:m/z	Relative Intensity
53.72172	0.3
67.05493	0.4
69.07050	0.7
73.94631	0.3
81.07029	0.5
82.06562	0.5
88.74049	0.3
91.03947	0.3
91.63851	0.3
109.10159	0.4
137.05998	0.4
151.03874	1.9
158.71727	0.4
175.99480	0.4
177.05510	0.5
183.02904	0.6
201.05495	0.5
212.04640	1.0
213.05479	0.4
217.03145	0.5
217.04918	2.9
225.05586	0.4
226.06172	0.5
228.04083	0.7
229.04897	1.0
239.03368	0.5
241.04915	1.1
242.05681	0.4
243.06549	1.1
253.04936	0.8
254.05853	0.7
255.06526	0.5
256.03625	2.6
257.04495	1.0
259.02371	1.0
261.07428	0.6
266.24783	1.8
269.04431	2.3
270.05072	0.8
271.05997	7.3
274.04733	3.1
281.04517	0.7
282.05121	0.6
283.05914	4.5
284.03201	3.7
285.04230	0.4
285.07620	1.6
289.07004	0.8
296.06802	0.7
297.03879	1.1
297.07516	1.8
298.04529	0.7
299.05469	18.9
300.06079	0.8
301.03326	0.7
302.04169	3.3
311.05447	5.6
312.02570	1.5
312.05948	0.6
313.06931	1.8
314.07834	3.0
316.05750	0.7
317.06519	21.5
318.06732	1.4
325.07022	3.1
326.03983	0.5
326.07547	0.5
327.04907	7.1
328.05447	0.7
329.06436	0.8
330.03510	0.7
330.07251	0.5
331.08017	0.9
333.68033	0.4
341.06467	3.6
342.07275	14.9
343.07993	2.5
344.05231	1.6
345.06003	8.9
346.06473	0.5
357.28699	0.4
359.07574	18.4
360.08267	9.3
361.08624	0.5
362.01279	0.4
375.10690	100.0
375.29410	1.8
376.11032	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	375.1072
Annotation	Clinopodic acid B
Peak:m/z	Relative Intensity
50.56216	1.3
53.24046	1.5
53.31305	1.2
54.55007	1.2
54.89666	1.2
58.61813	1.2
58.72726	1.3
65.03918	3.9
67.05526	1.4
69.09241	4.3
69.09666	5.0
73.22746	1.4
81.03405	3.3
83.04967	1.4
85.02921	2.0
86.42876	1.5
89.03902	16.7
91.05489	5.1
91.68035	1.2
93.03391	6.5
97.02857	1.9
98.22749	2.4
107.04971	4.2
109.02922	1.5
111.04436	14.5
117.03378	34.3
127.03951	5.0
134.03632	3.6
135.04404	12.9
137.05991	2.9
139.03889	20.3
145.02843	61.5
149.05984	10.1
153.05478	2.5
163.03894	7.1
177.05460	100.0
177.09052	4.9
178.05827	3.8
179.03401	1.7
181.04918	10.7
193.08604	2.3
259.41998	1.6
375.10806	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	375.1074
Annotation	Methyl rosmarinate
Peak:m/z	Relative Intensity
63.44819	0.4
66.91938	0.5
68.13004	0.5
68.55135	0.4
71.42348	0.6
81.98280	0.5
109.20343	0.4
137.05971	0.7
141.06932	0.5
156.05641	1.0
163.03873	1.2
163.55002	0.4
169.06419	0.9
184.05188	6.3
199.07529	0.6
210.03279	0.7
212.04713	3.6
213.05310	0.7
225.05382	1.1
227.06989	1.5
229.04903	1.2
238.02686	0.8
240.04160	15.4
241.04662	1.0
242.05608	0.8
253.04941	4.0
255.02716	0.8
255.06473	0.9
257.04434	10.4
257.07498	0.8
257.08179	0.8
258.04874	0.7
268.03677	6.5
269.04324	2.1
270.01608	0.7
270.05173	0.6
271.06113	0.9
271.09601	0.5
272.06726	5.9
273.07230	0.6
283.05994	100.0
284.06317	6.7
285.03885	3.7
285.07281	1.0
299.05518	1.4
300.06262	2.1
315.08463	3.4
343.08105	90.8
344.08429	7.9
375.10638	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	375.1437
Annotation	Vladinol D
Peak:m/z	Relative Intensity
55.01862	3.4
57.01023	1.6
63.46732	1.8
65.03943	2.1
67.05498	1.9
69.03410	2.0
69.70095	4.7
73.02913	9.3
75.79421	1.3
81.03411	9.4
81.07049	1.6
86.09698	2.0
91.05477	2.6
95.04958	2.6
97.02892	6.3
97.86972	1.4
102.21618	1.5
107.04912	1.7
108.02051	2.7
108.65220	1.5
109.06527	3.2
111.04436	3.5
112.07645	1.4
113.78569	1.6
115.05462	2.9
119.04934	1.7
121.06499	5.0
122.03667	5.4
123.04428	1.5
125.06004	1.9
127.03906	2.1
128.06224	2.6
129.07011	6.4
133.06432	1.8
134.03598	1.7
137.05969	80.3
138.06366	2.2
141.05505	3.4
143.04926	5.0
145.06445	3.9
147.04398	3.5
147.08055	2.0
149.05948	9.7
151.03902	100.0
151.05009	11.5
153.05455	3.8
157.06461	8.1
158.45232	1.8
160.05266	2.0
161.05969	7.6
165.05452	1.9
171.04440	3.0
175.07524	5.6
179.06943	2.7
181.06491	1.9
187.07600	1.6
189.09094	8.8
191.07010	6.4
197.06183	2.1
203.07033	26.2
205.08646	4.0
208.05202	2.3
211.07465	2.3
211.25024	1.6
215.07112	2.1
219.02332	1.5
221.05983	2.7
221.08109	4.8
225.09187	2.9
233.08176	3.6
241.08664	2.3
247.07532	3.4
253.08710	5.3
267.42493	1.5
273.11279	5.9
279.10284	1.9
283.09515	2.9
285.08133	1.7
285.11276	5.6
286.08478	2.3
289.08569	2.9
295.09775	2.6
299.09161	4.2
307.09625	2.6
311.12933	1.8
315.08392	1.5
327.12317	12.4
328.12488	1.7
329.10300	2.8
339.12329	4.9
357.13171	7.7
375.10208	4.7
375.14374	10.5
392.14801	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03943	0.9
55.01862	1.6
65.03940	3.0
65.84969	0.6
67.05491	2.0
69.03429	0.5
69.59040	2.0
74.86781	0.5
80.02625	0.6
80.95775	0.5
81.03411	9.5
81.07056	0.7
86.09711	1.3
87.04484	0.5
91.05482	1.8
93.03423	0.9
94.04176	1.8
95.04955	1.6
100.11257	1.5
105.04503	0.7
105.07066	0.8
107.04955	2.2
108.02117	2.3
109.02881	1.1
109.06514	2.3
111.04442	1.9
115.05444	2.5
117.07024	1.0
122.03639	3.6
125.06000	1.3
127.03909	1.0
128.00809	0.6
128.06212	2.3
129.06982	8.4
131.04942	1.5
133.02864	0.8
133.10130	0.6
135.04395	1.7
137.05966	48.9
138.06335	1.3
141.05466	2.4
143.04913	4.8
145.06499	1.2
146.03523	0.6
147.04393	0.7
147.08026	2.5
149.05959	1.0
151.03903	100.0
151.05002	10.5
152.04259	3.7
153.05472	2.3
157.06485	7.8
160.05200	1.3
161.05980	2.7
161.09586	1.2
163.03891	5.5
163.07562	0.6
165.05461	2.1
167.07005	0.8
171.04362	3.8
174.06683	0.8
175.07530	6.0
176.04613	0.8
177.09053	0.9
179.03371	2.2
180.03813	0.9
181.04951	4.5
182.15350	0.8
183.15759	0.6
187.07547	2.2
188.04575	1.3
189.09093	9.1
189.42706	0.5
191.07005	9.7
191.08652	0.7
203.07019	25.7
204.07515	0.8
205.08582	4.8
210.14896	0.8
211.15273	1.0
212.15515	0.7
215.07083	1.8
219.08080	1.4
221.08058	5.5
233.07996	3.9
235.07539	1.0
243.06541	1.1
247.07567	1.4
249.09232	1.3
261.09152	1.8
263.07104	1.3
265.08591	0.8
267.10251	0.9
277.08337	1.1
279.10208	2.1
285.07614	0.9
286.08322	2.2
289.08667	0.7
292.07190	0.7
295.09619	2.5
297.11414	0.7
307.09659	3.7
309.11035	1.1
311.12823	2.0
312.09622	0.8
321.11111	4.1
322.11435	0.6
327.12253	7.5
339.12250	4.9
339.21890	1.3
345.13113	0.5
356.22449	0.7
357.13422	5.3
357.22525	0.6
372.19873	0.5
375.14423	2.4
379.46304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01873	1.4
55.05504	2.1
57.03185	1.0
57.03443	4.9
65.03930	2.6
67.05157	1.8
67.05504	23.2
69.03423	1.6
69.07062	1.5
69.63655	4.9
71.04983	1.8
79.05499	3.6
80.08903	1.1
81.03414	72.9
81.07066	4.0
82.03748	1.2
83.04990	2.3
83.08630	1.4
85.06504	1.4
91.05460	5.3
93.07049	6.1
94.04237	1.0
95.04964	100.0
95.08579	5.8
96.05298	2.6
99.08118	1.4
105.07020	10.6
107.04954	4.2
107.08600	10.1
109.06527	8.7
109.10192	2.3
117.07004	2.6
119.08569	13.3
121.06503	6.1
121.10140	22.9
123.04429	15.5
123.08045	9.9
123.11702	3.7
129.07063	1.8
131.08586	4.5
133.06494	3.5
133.10123	11.2
135.08049	5.3
135.11700	9.3
137.09653	2.9
141.05421	2.6
143.08553	3.6
144.09364	3.3
145.06471	3.2
145.10109	8.1
147.08037	10.3
147.11687	3.5
149.09624	4.4
151.07547	2.3
155.08569	2.0
157.10141	3.5
159.08028	1.3
159.11729	8.9
161.09622	1.9
163.11176	17.8
166.07863	1.3
169.10159	2.3
171.11641	2.2
173.09706	3.1
173.13208	5.4
175.11205	2.1
175.14839	9.6
177.12778	4.0
183.11552	1.8
185.09639	3.2
185.13293	2.3
187.11221	3.5
189.12805	2.1
191.14326	7.0
193.15874	27.2
193.17549	2.1
195.11847	1.2
197.13213	2.1
199.11177	3.6
201.12778	3.6
203.14308	1.5
213.12859	1.4
215.14345	3.4
225.12744	2.0
227.14212	2.4
233.15363	1.5
239.14330	1.7
241.15924	4.1
243.13875	2.4
251.17963	1.4
253.15871	1.2
258.10898	1.2
259.16791	1.4
269.18982	3.8
279.17264	3.3
287.16605	1.1
297.18420	15.8
299.05585	1.4
315.19540	15.1
316.19620	1.5
317.06519	2.2
342.07413	1.5
375.10672	9.4
375.21597	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	375.2374
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
51.94643	1.4
53.03939	3.6
55.01868	4.7
55.05503	15.3
57.03429	9.0
57.07075	5.1
59.04991	5.2
61.02916	8.3
67.05502	7.4
68.39057	1.4
69.03424	30.9
69.07061	42.2
69.13328	5.8
69.13751	5.2
71.04990	10.3
71.08633	2.0
73.02911	2.7
79.05488	5.7
81.03409	13.4
81.07050	23.0
83.05004	10.8
83.08614	10.5
85.02894	80.2
85.06531	17.9
87.04487	4.2
91.03938	3.7
91.05463	3.1
93.07036	13.5
95.04955	1.9
95.08595	41.2
97.02885	23.7
97.06507	5.4
97.10167	12.2
99.04458	5.8
99.08085	24.1
105.07040	2.6
107.08582	24.7
109.02880	10.9
109.10159	14.9
111.04411	1.8
111.08079	2.8
111.11715	7.3
113.09618	9.5
117.03373	2.8
119.06030	2.1
119.08579	2.6
121.10133	36.1
122.10468	2.4
123.11700	6.6
125.08814	1.6
125.09585	7.7
127.03902	20.3
127.11225	2.8
133.02931	2.0
135.04416	2.3
135.11668	16.7
137.13239	18.8
138.02147	2.9
139.11166	10.7
145.02841	5.5
145.04951	16.5
149.13240	4.3
150.30135	1.7
151.14838	5.8
153.12740	11.4
163.03883	34.8
163.05142	2.8
165.06587	2.3
177.16370	100.0
178.16739	3.6
179.03351	8.1
180.03732	6.9
181.04926	15.6
193.01335	3.9
195.17427	46.7
213.18477	46.9
214.18887	2.5
358.58466	1.8
375.13272	3.3
375.23877	4.6
376.24219	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31116	0.5
71.42339	0.7
75.63475	0.6
85.14362	0.5
86.29130	0.6
92.95533	0.5
98.97556	2.0
116.98612	1.3
128.98616	0.8
130.13809	0.6
158.06628	0.9
164.02345	0.6
168.60471	0.6
176.07698	1.2
177.00835	0.9
192.50250	0.5
195.50946	0.6
201.50990	0.6
209.01674	0.6
219.01996	0.6
219.25961	0.5
222.05838	3.9
234.05855	100.0
235.06038	6.8
243.01965	0.7
252.06914	22.7
253.07257	1.5
258.06647	0.6
258.99777	0.8
261.03058	0.9
270.06781	1.0
277.00806	0.9
294.53445	0.7
300.07779	1.5
301.01004	1.3
310.04034	0.8
312.07730	7.0
313.08026	0.6
315.54016	1.2
316.03842	0.9
316.07437	1.6
334.05209	0.8
334.96106	1.0
360.69540	0.6
376.07010	41.9
376.99670	0.7
377.07239	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	376.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.8
68.15160	1.2
72.08150	1.5
72.79216	1.1
79.05479	5.2
81.03404	1.4
83.04964	1.6
89.03917	2.9
91.05483	2.1
93.07036	1.7
95.04974	7.8
95.08618	1.0
96.48460	1.1
105.03380	4.1
105.07033	2.2
107.04948	19.7
109.02866	2.3
111.04435	5.4
117.03373	5.8
123.04383	8.3
127.03907	1.4
131.50424	1.0
133.02834	20.4
133.10092	1.7
135.04399	42.7
137.06001	1.4
139.03905	12.0
145.02849	11.9
151.03902	5.8
153.05440	2.5
161.02324	2.1
163.03893	100.0
164.04216	3.5
165.05504	3.1
179.03380	46.2
180.03783	1.3
181.04951	74.1
182.05235	2.2
195.02792	1.6
215.61098	1.1
354.11951	1.4
376.10333	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70837	1.1
57.23806	1.0
65.37285	1.0
70.68028	1.2
73.30492	1.2
79.05470	1.6
83.18006	1.1
89.03907	5.5
91.05495	1.4
93.03361	1.8
95.04963	2.4
98.23418	3.3
105.03356	2.4
107.04935	5.1
107.29399	1.0
111.04412	2.9
117.03379	7.8
123.04440	1.7
133.02824	9.4
135.04388	16.9
139.03903	7.5
145.02838	12.6
151.03889	2.0
161.02350	1.0
163.03889	100.0
164.04272	2.9
179.03368	14.2
180.03729	1.9
181.04944	37.4
182.05217	1.2
274.02133	1.0
342.16681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04477	100.0
76.04806	1.3
81.17929	1.1
103.28889	1.1
123.04402	5.4
135.04355	1.1
137.05954	1.5
148.03928	3.1
149.04677	1.1
152.07034	1.2
153.05490	1.2
163.03867	2.5
163.66737	1.0
180.06599	1.7
266.08102	2.0
281.06519	1.3
284.09113	2.9
294.07556	2.5
302.10126	2.0
312.08649	4.7
344.11209	3.6
383.05951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35477	0.8
57.03438	1.6
61.02918	1.8
69.03429	4.9
69.69034	2.7
73.02927	1.5
81.03429	1.9
84.04513	1.1
85.02901	21.5
86.09690	0.8
97.02895	4.8
99.04462	1.4
103.22281	0.9
106.06548	1.3
109.02866	1.3
127.03918	4.3
130.05099	0.8
135.95866	0.8
137.05972	100.0
138.06258	4.2
144.08086	1.3
145.04915	4.6
151.07483	1.3
162.09125	2.9
179.07024	29.7
180.08720	1.2
187.05800	4.0
190.08647	3.6
197.08133	3.1
212.06790	1.2
250.14308	1.5
268.15344	0.9
376.13629	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	376.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	43.9
58.07405	0.6
63.53246	0.2
69.18098	1.1
81.41548	0.2
82.26418	0.2
82.30101	0.1
84.08147	0.2
102.09175	0.3
107.06071	0.3
108.04494	0.5
124.08735	0.5
125.07099	5.9
126.05501	4.3
127.03912	0.2
134.07126	0.4
135.05536	0.5
136.03944	0.2
174.09081	0.2
191.11815	1.0
192.10242	0.4
208.14413	2.4
209.12822	12.9
210.11256	1.7
210.13068	0.4
216.10202	0.2
217.10571	0.3
218.10840	0.3
218.12859	4.7
219.11241	2.8
219.13016	0.2
220.11865	0.2
245.12897	0.2
260.12735	0.3
260.15085	1.2
274.19196	0.5
275.17508	7.8
276.17868	0.4
292.20151	9.6
293.18457	7.2
294.19107	0.3
302.18591	16.9
303.18918	1.0
304.58942	0.2
332.21259	0.2
343.22437	0.4
358.24789	1.2
376.25894	100.0
377.26251	7.5
386.89282	0.2
394.26910	3.8
395.27222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.9293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82140	1.6
54.36501	1.4
55.33917	1.8
63.25162	1.4
69.48184	8.0
84.99129	1.4
117.80582	1.4
120.96629	1.6
136.94020	100.0
143.19878	1.5
164.29233	1.5
183.95482	1.5
210.12334	1.5
261.03036	1.5
278.95215	56.9
279.95370	3.1
294.92969	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	377.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	15.7
65.69131	4.7
66.80861	5.2
67.93844	5.2
69.40750	5.0
70.96630	8.0
70.98096	4.4
72.69916	5.0
85.02888	12.0
89.52328	5.5
98.97564	21.3
110.97542	4.7
116.98573	6.9
118.94517	5.1
128.98630	6.1
137.05984	22.8
138.06299	13.4
219.01677	4.9
237.02809	17.2
253.07333	5.6
291.07401	10.2
297.06345	9.9
309.08542	28.6
333.09155	9.3
351.09491	7.1
370.60440	5.0
377.08398	44.5
377.14023	100.0
377.18448	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	377.1451
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03942	2.3
55.01848	0.7
57.03432	10.3
59.04971	0.8
61.02922	4.5
69.03422	17.5
69.42569	1.7
70.06573	0.6
71.01350	3.4
71.04993	4.3
73.02925	2.2
75.04475	2.3
81.03419	4.6
87.04428	0.8
99.04456	6.3
117.05459	1.5
128.33905	0.4
130.06528	0.4
137.05937	1.3
138.06267	0.6
145.07597	3.2
147.09125	0.6
151.03839	0.6
157.06378	0.4
159.09181	0.7
170.07082	2.3
172.08681	37.1
173.09026	1.3
174.10220	0.8
190.09737	1.9
197.09578	0.5
198.06580	7.5
200.08197	5.8
214.09691	0.8
216.07666	20.3
217.07991	1.2
218.09286	1.2
234.35257	0.4
243.08748	84.3
244.07068	1.3
244.09253	2.9
288.13580	0.6
297.10083	0.5
316.12900	0.6
341.12573	0.5
359.13486	3.5
377.14526	100.0
378.10107	0.3
378.14819	6.6
395.34036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1857
Annotation	Leuconicine B
Peak:m/z	Relative Intensity
50.20115	0.7
54.83773	0.6
55.05480	0.6
56.96551	3.8
57.07044	1.2
57.89304	0.6
59.52437	0.6
64.71629	0.6
66.00124	0.7
66.01086	0.7
72.08134	0.8
74.09667	0.8
98.97556	0.9
103.70126	0.6
105.10017	0.8
123.05540	0.6
142.08130	0.6
143.25716	0.6
145.46147	0.6
149.04765	0.7
197.01227	1.5
215.02306	1.2
221.15451	0.9
235.07565	1.0
236.11844	0.9
243.40149	0.8
249.12743	2.4
251.14394	1.8
253.07417	1.6
261.09024	0.9
262.08749	1.2
263.10678	0.9
271.08521	2.3
274.08511	1.1
275.09415	5.8
276.10049	2.1
277.12036	2.2
278.13025	2.7
279.13568	1.1
288.10214	8.6
289.10815	3.1
290.11816	1.6
294.24335	1.6
297.06262	4.5
302.11713	3.9
303.12500	22.2
304.12906	2.3
315.07260	0.7
317.14331	1.8
318.14847	100.0
319.15210	8.1
332.16473	2.4
360.15884	20.6
361.16046	1.7
376.36853	1.4
377.18555	74.0
378.18973	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	377.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	11.5
57.03427	19.2
67.05486	22.6
69.07046	10.3
73.48177	7.8
79.34685	7.7
81.03421	77.9
81.07047	16.8
83.04945	6.8
93.07031	11.1
95.04961	100.0
95.08587	18.6
98.97597	15.2
107.08566	9.8
109.10140	12.7
110.96114	7.3
118.67870	7.2
119.08549	8.1
123.04388	23.8
123.08068	14.3
123.11710	41.3
134.99701	12.9
143.08542	7.6
145.10074	10.3
147.08031	7.0
147.11678	9.0
159.11617	10.0
161.09541	11.2
161.13185	7.6
165.12785	13.8
178.42381	9.7
189.16409	16.5
205.15860	15.7
261.09048	27.1
299.20035	30.2
317.21194	35.7
399.25500	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	377.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
57.07070	100.0
58.07393	1.5
67.31362	0.8
69.07066	5.3
69.11237	5.7
70.06582	1.8
71.08624	84.1
72.08948	1.9
73.06538	1.6
82.91955	0.7
83.08602	2.3
83.96116	0.7
85.10172	49.4
86.10519	0.8
87.04461	1.0
89.06022	99.0
90.06334	1.1
97.10168	1.9
99.11710	7.6
107.07060	6.9
111.11696	1.8
113.13282	5.0
115.08698	1.6
119.79914	0.8
125.13247	1.4
127.14831	2.1
130.08621	1.1
133.08589	42.0
134.08966	1.0
151.09636	5.3
165.22156	0.8
177.11198	8.8
178.11597	0.7
194.21114	0.8
195.12254	39.6
196.12549	1.2
377.32510	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	378.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26193	1.5
59.44591	1.2
65.87492	1.3
69.24348	4.1
69.24753	2.4
74.74761	1.3
79.05475	2.0
83.42181	1.1
89.03902	7.0
93.03407	2.4
102.63419	1.4
103.23025	1.2
107.04975	4.2
111.04434	2.7
117.03391	10.8
121.22393	1.4
135.04399	23.0
139.03918	5.3
145.02826	12.5
163.03886	100.0
164.04279	4.2
181.04965	2.0
252.98009	2.4
385.45459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	16.4
60.28143	10.8
61.01550	9.6
61.75707	9.4
64.27853	9.6
69.03445	10.2
70.06625	12.7
85.02904	23.7
86.09654	12.2
95.04974	25.2
97.02885	14.4
98.97598	21.3
116.98597	17.4
127.67882	9.9
137.05965	100.0
140.04730	71.4
155.07047	21.0
174.96683	9.4
181.05019	10.1
181.08672	12.4
199.06020	64.5
269.54398	10.9
318.09366	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	379.091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91988	0.8
56.96292	1.5
56.96559	14.9
60.69138	1.0
69.03403	1.3
69.68314	3.1
71.95264	0.8
78.74613	0.9
83.97595	0.8
84.96015	2.8
85.02892	1.8
87.97648	0.9
93.38443	0.8
97.02856	2.0
98.97575	100.0
110.97547	6.2
111.78131	0.8
112.99137	1.9
116.98613	74.7
128.98593	10.4
131.00163	2.7
134.99649	38.6
140.00168	1.2
143.00180	3.4
146.99625	5.2
149.01236	0.9
152.98593	3.1
153.00684	6.0
156.03389	4.9
158.01239	1.6
158.99651	17.7
161.01227	7.9
168.03355	1.5
170.99638	4.7
172.94440	1.6
173.01147	1.7
174.04399	8.4
175.02832	2.9
177.00694	31.7
179.02303	2.7
182.99585	1.2
186.04391	6.2
189.00711	4.8
191.02301	1.7
192.05385	1.5
193.18108	0.9
194.99651	3.1
195.01663	2.4
201.00652	6.5
204.05453	3.6
208.96648	0.9
213.00681	5.8
213.70058	1.0
217.03818	5.7
219.01746	32.1
232.96510	2.7
235.04839	4.8
237.02805	34.3
243.01768	1.1
246.58925	1.0
250.97600	1.7
255.04048	2.1
256.03604	1.0
256.96265	1.3
261.02792	34.8
268.03339	1.6
272.94427	1.2
274.97543	3.3
275.04410	1.9
277.05856	1.0
279.03845	49.6
286.04437	1.5
287.98428	1.3
292.98526	1.6
293.05411	2.2
297.04904	2.1
302.05493	1.5
309.01520	1.3
319.06995	1.5
321.04819	9.2
322.40256	1.0
337.00284	1.0
337.08148	1.3
349.09326	0.9
352.11026	1.0
354.94507	1.7
355.10422	1.8
367.10242	15.3
368.10663	1.4
372.91925	1.3
379.10211	36.2
380.10269	2.9
396.94870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53316	1.9
69.03404	4.3
69.70937	6.2
73.85596	1.9
77.45535	1.6
85.02902	7.3
91.05474	3.0
98.22594	2.6
105.07001	2.7
115.05470	3.2
127.14414	2.2
128.61285	1.8
131.08530	2.2
145.10091	2.6
146.03607	7.0
157.10136	6.6
159.11641	4.8
161.05939	30.4
175.07555	2.5
181.05005	2.8
181.97530	2.2
185.04190	65.7
199.14842	5.5
201.05414	3.1
215.14076	2.2
217.04671	14.8
217.15889	4.9
361.20297	2.5
379.09958	100.0
379.20728	4.8
380.10339	4.8
380.21167	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	379.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
67.84164	1.0
70.77612	0.9
98.17162	1.0
98.23475	2.5
127.03951	0.8
133.57933	1.0
170.20424	1.1
185.04195	64.2
186.04512	1.4
217.04712	18.3
233.06303	1.2
304.87845	1.1
308.24405	1.1
379.09955	100.0
380.10272	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	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17623	0.8
60.92697	0.9
74.95942	0.9
76.32627	0.9
91.05482	1.5
105.44791	1.0
110.54420	0.9
138.03633	1.0
164.04137	0.9
165.05388	1.5
190.84705	0.9
225.09798	1.0
227.05263	1.9
271.04214	3.4
293.09924	5.6
335.10974	38.1
336.11359	2.4
356.18353	1.4
379.09946	100.0
380.09976	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	379.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.3
55.01876	3.8
55.05511	3.9
55.70034	1.8
57.03424	7.6
61.02927	14.5
63.33716	1.9
65.03944	3.2
67.05495	8.3
68.85950	2.3
69.03424	37.2
69.07060	5.0
69.47715	9.4
69.53539	2.0
71.04984	5.1
73.02901	6.2
74.07799	1.8
77.03944	2.5
79.05485	9.6
81.03423	17.3
81.07050	22.3
83.04974	2.5
85.02900	81.3
87.04446	4.0
91.03957	4.7
91.05474	29.0
93.07043	20.6
95.04956	4.2
95.08598	30.8
97.02887	28.6
98.23385	3.9
99.04444	6.2
105.07023	42.6
107.08586	21.2
109.02846	7.6
109.06538	2.9
109.10136	5.7
115.05469	4.3
117.07010	4.1
119.08565	20.4
121.06528	4.4
121.10116	3.7
123.04447	2.6
123.08078	2.9
127.03902	14.2
128.06209	12.2
129.06989	10.6
131.08553	23.4
133.06473	2.4
133.10115	11.8
135.08083	2.1
141.06938	4.3
142.07755	14.6
143.08563	44.8
144.09253	2.3
145.04948	14.7
145.10104	26.2
147.11679	6.5
152.05698	8.3
155.08528	7.4
156.09360	2.5
157.10115	45.6
158.10536	2.5
159.08028	2.4
159.11668	24.0
161.09724	3.1
161.13271	3.3
163.03900	2.9
164.04234	3.9
165.05478	5.4
169.10120	8.5
171.11668	9.2
173.13132	2.3
175.14827	4.4
183.11697	2.6
184.12560	2.5
187.14748	3.9
189.16370	20.9
197.13214	8.0
199.14798	100.0
200.15204	6.5
201.16341	13.8
211.14816	3.3
215.14421	3.6
217.15855	52.7
218.16148	2.2
229.15886	3.3
241.15826	2.3
273.76990	2.4
330.44867	2.2
361.20163	3.1
379.21188	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	379.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.2
57.07069	2.0
59.22187	0.8
59.48648	0.9
67.05498	6.7
69.07053	5.7
69.97655	1.1
69.97994	2.5
72.08163	5.1
78.97089	0.9
79.05481	5.7
81.07043	12.3
83.04967	11.1
83.08611	1.5
85.06499	1.7
85.11013	0.9
90.09174	1.1
91.05480	12.6
91.12328	0.9
93.07024	10.0
95.04948	1.9
95.08589	9.2
99.08069	1.6
102.52233	1.0
105.07016	24.6
107.08575	12.9
108.79765	1.0
109.06497	1.1
109.10132	5.9
117.07008	17.9
119.08554	16.3
121.10103	7.1
123.11625	1.2
128.06105	1.3
129.07011	1.4
130.07799	4.6
131.08540	17.8
133.10101	6.8
135.11694	2.5
143.08549	3.5
144.09312	1.5
145.10109	66.1
146.10484	1.1
147.11670	2.5
157.10089	1.4
159.11670	29.4
160.12027	1.0
161.13251	14.0
162.13609	1.1
163.11168	3.0
173.13234	5.2
177.12747	1.1
201.16356	100.0
202.16675	4.9
219.17375	10.0
220.17751	1.4
261.18521	2.3
301.21384	0.9
329.39667	0.9
368.90247	1.0
379.24759	4.7
380.11227	1.0
380.31598	2.8
391.36609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71896	0.9
55.05261	2.2
55.05510	32.2
55.99756	1.0
57.03429	2.1
69.61385	3.6
79.92789	1.0
81.03352	1.1
83.04977	100.0
84.05306	1.5
85.02905	2.8
97.02917	1.7
98.23480	1.8
101.06013	56.3
183.10159	19.0
201.11180	14.7
230.96147	1.2
288.76477	1.2
310.03870	1.1
340.15857	1.1
375.44308	1.4
388.42642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23511	10.4
52.38868	9.5
56.96557	10.0
58.96308	9.4
69.26678	36.4
69.27091	27.7
84.42059	9.1
84.96026	11.7
98.97559	22.9
110.97539	13.1
128.98643	15.6
209.07825	9.6
237.02812	19.6
246.28055	9.9
381.05692	26.8
381.11484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42810	12.7
69.65803	42.8
80.18552	12.6
83.04950	12.4
98.23442	12.7
115.30772	11.5
147.04314	13.5
160.48392	10.8
163.61562	12.7
199.58736	12.6
381.07285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15356	3.8
67.74132	3.9
70.37200	4.1
115.59236	4.2
131.89589	4.5
137.23808	4.0
163.84645	3.9
189.06868	4.8
193.05019	5.2
199.53549	4.1
202.92120	4.3
255.30377	4.0
381.07233	100.0
381.14856	6.8
382.07523	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27343	5.3
69.42722	19.8
88.36733	3.8
91.12280	3.8
128.02428	4.5
208.79517	4.1
219.02473	6.5
284.94534	4.4
289.23059	4.4
317.77115	4.3
381.07913	100.0
382.08127	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	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
84.86267	3.8
100.89034	3.5
147.60909	3.7
150.20097	3.6
181.05124	3.6
188.32260	3.8
202.50018	3.2
219.82698	3.6
228.72185	3.8
305.46463	3.4
308.44086	3.4
311.79520	3.3
381.07886	100.0
382.08182	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	381.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16423	3.0
56.96594	3.6
63.91949	3.1
70.06583	5.7
71.03920	5.1
81.03413	5.3
81.07059	4.2
85.02898	11.2
86.09703	4.7
97.02878	7.3
98.97572	12.9
99.08096	3.8
116.98610	5.2
119.04869	4.7
121.02892	6.0
127.03930	6.1
128.98570	4.0
135.04402	14.2
146.99638	4.2
147.04434	11.0
157.33051	4.0
163.03938	15.9
173.02295	4.6
191.03416	5.4
218.99701	5.5
219.02911	100.0
220.03278	5.0
237.00633	16.8
237.02863	13.6
255.01805	6.8
305.06418	10.3
313.03775	3.6
324.70166	3.5
378.69159	3.5
381.07794	46.0
381.11642	39.4
383.00861	3.4
387.60037	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0967
Annotation	Chinensinaphthol
Peak:m/z	Relative Intensity
71.42647	0.5
80.66211	0.4
96.79437	0.5
109.80160	0.5
111.75203	0.4
119.08618	0.5
149.02280	0.5
176.06163	0.6
177.06960	0.5
178.07794	2.2
188.06197	0.8
189.06999	1.9
190.07751	0.8
191.08614	0.6
193.09973	0.6
202.07750	0.5
205.06474	5.9
206.07256	6.4
207.08003	1.7
208.08833	0.8
216.05765	1.8
217.06413	1.1
218.07253	2.0
219.08067	2.5
220.05170	1.0
220.08791	1.0
221.06053	1.0
223.07439	0.6
223.84785	0.5
224.08307	0.5
232.05185	1.4
233.05966	7.2
234.06734	14.8
235.07462	5.5
236.08350	1.8
239.10709	0.7
244.05145	1.3
245.05934	0.5
246.06778	2.0
247.03818	0.5
247.07564	3.1
248.04614	0.6
248.08214	3.4
249.05385	1.4
249.09111	8.2
251.07036	1.8
251.10744	2.9
252.07823	0.7
253.08679	0.8
261.05423	2.2
262.06238	6.5
263.07025	6.8
264.07770	2.9
265.04968	0.6
265.08527	2.0
266.09137	0.8
267.10138	0.6
273.05276	0.6
274.06165	1.9
275.06943	1.9
276.04834	0.6
276.07785	3.3
277.05167	1.7
277.08563	25.2
278.06415	0.7
278.09244	3.5
279.06644	1.4
279.10165	5.0
280.07269	0.9
281.08011	0.7
289.05014	1.8
290.05597	2.4
291.06491	7.0
292.07147	2.8
293.08008	0.9
294.08810	2.1
295.09647	1.9
304.07309	1.0
305.08051	27.8
306.08484	3.2
307.06281	0.6
307.09586	3.7
309.11234	3.6
310.08405	0.5
318.05234	0.7
319.06015	7.0
320.06747	1.4
321.07593	1.2
322.08209	1.1
323.09024	4.1
332.06699	0.8
333.07535	20.8
334.07867	1.9
335.05389	0.7
335.09122	6.2
336.06274	0.7
337.10663	9.9
338.11301	0.6
349.07043	0.9
351.08612	18.6
352.08926	1.1
356.88345	0.5
360.91006	0.5
363.08618	20.2
364.09073	0.9
381.09659	100.0
381.23471	1.8
382.09958	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	381.0967
Annotation	Phyllanthusmin A
Peak:m/z	Relative Intensity
51.69325	0.6
55.01845	0.9
55.05515	2.9
63.44910	0.6
76.14213	0.6
77.85766	0.6
79.05489	1.0
81.07049	1.4
83.04967	4.8
91.05460	2.1
93.07052	1.1
95.04968	2.7
95.08583	0.9
102.93106	0.7
105.07037	1.9
107.01311	1.0
107.08569	0.8
109.02834	0.8
109.06517	1.4
117.07021	1.1
119.08572	2.0
121.10157	0.9
128.06248	0.7
129.06989	1.0
131.08542	2.0
135.08034	1.3
137.02332	12.9
142.07788	1.1
143.08559	2.1
145.10110	2.9
147.08057	1.2
149.09549	0.8
155.08572	2.0
156.09334	0.7
157.06516	0.7
157.10136	2.1
161.09601	1.7
165.07086	0.7
167.08586	0.8
169.10088	0.9
171.11586	0.6
173.09509	3.7
173.13269	0.7
176.06183	1.3
178.07739	1.3
179.08632	0.8
180.31169	0.5
181.06458	0.7
181.10204	0.7
183.11696	0.6
185.13165	1.2
189.06969	3.0
189.12752	1.1
190.07671	1.4
191.08556	1.5
195.08018	1.0
195.11769	0.6
201.12721	1.1
203.14299	1.7
204.05798	1.9
205.06450	4.1
206.07185	2.3
207.08055	4.0
208.08812	2.1
213.12779	2.3
218.07211	2.4
219.07980	3.2
220.08818	2.8
221.05934	2.9
221.09377	0.8
221.15421	0.7
222.06729	0.6
223.07542	1.0
224.08363	0.8
225.16365	0.7
231.13779	3.4
232.05106	0.8
232.65210	0.6
233.05966	2.4
234.06737	3.9
235.07542	8.2
236.08304	4.8
237.08916	0.8
238.09857	0.8
239.10660	1.1
246.06725	1.6
247.07520	7.6
248.08299	7.5
249.05453	2.1
249.09082	7.6
251.06981	1.4
251.10646	3.8
252.07697	0.8
253.08578	1.1
261.05371	0.8
262.06247	2.0
263.07004	19.5
263.09772	1.2
264.07776	11.0
265.08499	5.3
266.05731	1.0
275.07034	8.4
276.07703	3.6
277.05051	0.9
277.08585	2.2
279.06674	2.5
279.10117	28.4
279.13226	1.4
280.07401	0.7
280.10480	1.7
281.07889	1.1
290.05612	0.8
291.06552	8.2
292.07190	4.1
293.08002	2.7
295.09662	2.4
298.54944	0.6
304.07495	0.7
305.08020	4.3
306.05408	0.6
306.08789	9.7
307.06360	1.6
307.09595	40.1
308.09924	2.8
319.06021	3.2
319.09695	2.3
320.06821	4.6
321.07590	1.3
322.08261	0.8
323.09113	12.5
324.09393	1.2
333.07385	1.3
337.10657	38.9
338.11014	2.7
349.07053	0.9
351.08603	4.3
363.08606	1.4
381.09637	100.0
381.24005	11.5
382.09982	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	381.0969
Annotation	Phyllanthusmin A
Peak:m/z	Relative Intensity
53.03920	0.2
55.01832	0.8
55.05467	0.7
55.12381	0.1
68.99740	0.2
69.03399	0.3
69.07066	0.9
70.06543	0.6
71.42234	0.2
79.01803	0.8
79.05505	0.2
81.07031	0.3
83.08563	0.5
85.02879	0.3
86.09666	0.6
90.03382	0.3
91.05450	0.2
92.04968	0.3
93.07014	0.3
98.05988	0.6
98.09651	0.4
98.99950	0.2
100.07571	0.3
100.11231	1.5
105.06973	0.5
107.01304	1.7
107.08566	0.2
109.02824	0.7
111.04417	0.4
112.07533	0.3
119.08511	0.2
126.01060	5.4
126.09119	0.2
127.01788	0.3
128.01775	0.3
128.02617	4.5
128.07047	0.2
137.02325	14.4
138.02646	0.3
140.02525	0.2
145.10069	0.7
154.02740	0.2
157.10062	0.2
159.11633	0.2
161.13181	0.3
165.06897	0.4
167.08557	0.2
168.13837	2.5
169.14148	0.5
173.08223	3.7
174.09009	0.8
176.06242	0.9
177.05415	0.3
177.06903	0.4
178.07745	1.1
179.04880	0.4
179.08484	0.7
181.06430	0.6
182.07216	0.2
185.16473	0.5
188.06155	0.4
188.08360	0.2
189.06934	2.0
190.07718	1.4
191.08553	1.2
192.05663	0.3
193.06468	1.0
193.09944	0.2
194.04756	0.2
194.07185	0.4
195.08031	1.0
196.08803	0.2
196.13304	1.7
197.13554	0.5
199.07530	0.2
201.16328	0.3
202.07664	0.3
203.08603	0.3
204.05685	1.9
205.06470	4.5
206.07236	2.4
207.04372	0.2
207.08020	3.7
208.08786	2.0
209.05899	1.8
209.09593	0.2
210.04219	0.5
210.06395	0.2
210.14954	0.3
217.06412	0.7
218.07256	2.1
219.04456	0.2
219.08008	3.8
220.05219	0.3
220.08792	3.2
221.05975	3.0
221.09393	1.0
222.06667	0.6
223.07458	0.8
224.08302	0.5
225.09038	0.7
225.76756	0.2
228.15883	0.3
231.08148	0.2
232.05159	1.0
233.05940	2.7
234.06725	3.9
235.07513	8.1
236.08279	4.8
237.05394	0.5
237.08908	0.6
238.06244	0.2
238.09900	0.4
239.10730	1.0
245.05942	0.7
246.06776	2.0
247.07515	8.5
248.04573	0.4
248.08281	7.6
249.05447	2.2
249.09033	7.0
249.11374	0.1
250.06082	0.6
250.09474	0.6
251.07001	1.1
251.10643	4.2
252.07697	0.5
253.08572	1.2
257.08066	0.3
261.05377	1.0
262.06210	2.5
263.07007	19.5
264.07767	12.0
265.05283	0.4
265.08536	4.3
266.05829	0.4
266.08908	0.3
267.10126	0.9
269.08185	0.2
271.06033	0.2
273.05661	0.2
274.06161	0.5
275.06985	9.6
276.04495	0.4
276.07706	3.2
277.04947	0.7
277.08508	2.2
278.05597	0.6
278.09247	0.6
279.06628	3.3
279.10104	33.5
280.07138	0.6
280.10449	1.9
281.07983	1.5
289.04971	0.3
289.08496	0.2
290.05820	0.8
291.06476	8.9
291.09778	0.4
292.07205	4.4
293.04672	0.4
293.08002	3.4
294.08585	0.4
295.09601	2.7
295.20090	1.1
296.10034	0.2
296.20441	0.4
298.08624	0.2
299.09253	0.6
300.10074	4.4
301.10483	0.3
303.06561	0.4
304.07254	0.7
305.04559	0.2
305.08017	4.9
306.05908	0.3
306.08810	9.7
307.09589	44.0
308.06604	0.5
308.09927	3.1
309.07736	0.4
309.11185	0.5
318.05176	0.2
319.05951	3.6
319.09650	3.4
320.06750	5.7
320.10071	0.4
321.07455	1.4
322.08380	0.9
323.09100	13.0
324.09369	0.8
332.06607	0.2
333.07578	1.0
334.06168	2.1
335.06467	0.6
336.06216	0.3
337.06329	3.4
337.10623	40.9
338.07004	0.2
338.10986	2.7
347.05551	0.4
349.07074	0.6
350.07770	0.3
351.08578	4.1
352.08902	0.4
363.08560	1.4
366.07837	0.2
380.29080	1.1
381.09637	100.0
382.09979	7.8
382.14987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18995	0.8
56.96562	54.2
69.90483	3.1
71.28401	0.8
71.95278	0.9
84.25152	0.8
84.96015	1.7
98.91927	1.3
98.97577	26.5
105.93884	0.8
116.98610	20.3
131.91690	0.9
134.99643	9.9
140.00201	1.4
153.00757	2.0
179.08533	1.3
192.09409	1.4
203.08408	2.0
204.09329	6.4
207.11595	1.3
208.08807	1.2
219.11748	6.5
220.08534	1.0
221.09685	2.1
223.07637	1.1
224.08249	1.6
232.08810	3.7
235.11115	1.6
247.11235	5.5
250.09866	4.1
262.02869	4.0
265.12219	25.8
266.12518	1.8
269.04803	1.8
271.06467	1.8
279.03418	5.3
279.06894	1.4
280.03979	8.1
283.06262	1.6
284.03531	2.0
287.05988	1.4
291.06726	3.9
294.02011	4.0
297.04349	26.1
297.07922	2.7
298.05078	100.0
299.05768	14.2
299.09384	1.5
300.06601	3.1
301.07394	1.3
307.06497	1.8
309.07889	12.4
310.08377	1.3
311.05936	1.4
312.03076	6.4
312.06366	1.4
313.03714	1.1
313.07306	1.3
314.04602	1.7
315.05304	5.0
315.08881	1.8
316.06134	61.5
317.06732	9.0
318.07419	1.8
321.07538	5.8
323.05920	4.1
324.06656	2.5
325.07452	2.7
327.08997	60.2
328.09387	3.4
330.07446	1.1
335.05814	0.9
337.07935	0.9
339.08978	18.0
340.09485	1.8
341.06918	7.9
342.07706	2.0
343.08301	1.4
345.10046	27.2
346.10349	1.2
350.10699	2.8
351.08926	5.7
352.06039	1.5
353.06735	2.7
357.10043	29.5
358.10440	3.2
359.07840	1.7
362.10263	0.9
364.43265	0.9
368.11813	1.0
369.09970	9.2
371.07956	2.5
375.11099	6.8
380.11462	1.4
381.05090	1.4
381.10019	27.5
382.10223	1.0
399.11111	25.1
400.11566	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	4.6
61.02956	0.4
65.76756	0.4
69.03423	1.4
69.64832	0.4
69.65170	1.6
71.04970	0.4
76.94601	0.4
81.03435	0.7
84.55698	0.4
85.02885	0.6
85.06544	1.4
99.04404	0.6
114.72158	0.3
117.05471	0.5
119.04945	0.8
126.01081	0.7
127.03947	0.8
145.04927	0.5
147.04385	2.5
158.97340	0.5
185.04259	1.3
201.11194	0.5
219.02884	0.5
219.06252	1.3
229.10701	0.5
305.01071	0.6
363.01584	0.5
363.16812	0.5
364.57761	0.4
381.11505	100.0
382.11801	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	381.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01884	0.5
56.96545	0.5
59.88389	0.4
63.02377	0.6
67.01847	0.7
67.05490	0.6
69.03427	3.6
69.07062	0.8
71.04977	1.5
78.04686	0.4
79.34955	0.5
81.03428	3.8
81.07024	0.8
85.02911	3.0
89.03915	7.5
91.05460	1.0
93.07015	0.8
95.04933	0.5
95.08601	1.0
97.02893	3.4
98.22709	1.3
99.04443	0.9
105.04558	0.5
107.08560	0.8
109.02880	3.4
117.03371	26.1
118.03666	0.6
127.03915	2.1
131.08524	0.6
133.10135	0.6
134.03610	1.2
135.04384	1.6
145.02834	57.6
145.10085	1.0
146.03149	1.7
149.05963	7.6
157.10063	0.6
163.03902	0.8
167.13930	0.5
177.05452	100.0
178.05742	2.3
186.05492	1.4
201.16252	0.5
214.47319	0.5
219.17462	1.0
321.09729	2.7
380.32611	0.7
381.11783	1.2
381.18707	0.8
397.13495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41991	0.3
59.27393	0.3
69.71105	1.5
96.37074	0.4
98.22699	0.6
150.10484	0.4
252.08174	0.4
363.11990	100.0
364.12396	7.2
381.13077	6.4
382.13205	0.6
404.14417	1.0
404.30951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.2
59.04996	2.9
61.73666	0.8
62.87177	0.7
67.05479	0.9
69.07064	0.8
69.18813	0.8
70.05530	1.1
70.05894	1.8
71.08626	1.0
79.05469	1.2
81.07050	1.8
91.05466	1.1
95.04987	1.4
95.08572	1.2
101.47630	0.8
107.08556	1.1
109.06499	2.3
121.06527	1.0
165.12750	4.7
257.25412	1.0
279.10110	1.2
289.21613	3.8
298.04749	1.2
307.22467	1.0
331.09378	14.8
332.09579	1.0
363.11984	100.0
364.12305	8.6
381.13095	10.9
381.17480	0.9
381.26041	2.8
382.13336	2.0
404.14792	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58672	1.0
107.84087	0.9
186.28381	1.1
197.52255	1.1
221.09792	1.3
234.09023	6.4
244.11227	1.2
248.10716	4.0
249.12886	1.4
261.11481	5.5
262.12082	2.3
263.13144	4.1
265.15851	1.1
271.13647	1.0
272.14227	1.7
274.12225	10.9
275.13040	3.4
286.15594	1.4
288.13913	2.9
289.14597	19.4
290.15314	1.6
303.16107	1.9
304.16931	70.0
305.17230	5.2
318.18594	3.9
322.18018	6.7
346.17990	55.8
347.18314	6.4
363.10834	1.7
363.20560	10.3
364.18985	25.0
365.19336	2.3
381.11954	3.6
381.21686	100.0
382.22009	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	381.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34837	0.9
52.17229	0.9
53.03931	2.2
55.01867	1.0
55.05507	59.0
61.43628	0.9
67.05483	3.8
69.03406	2.0
69.07053	1.9
70.22221	2.6
71.05022	0.9
79.05487	8.4
81.07048	23.8
82.07384	1.3
83.04974	100.0
84.05310	2.7
85.06531	2.4
87.50349	0.9
91.05459	10.3
93.07050	6.5
95.04965	9.7
95.08571	3.5
97.06500	3.8
98.23368	1.0
101.05922	1.1
104.15115	0.8
105.07027	16.8
107.08591	10.0
109.06519	5.6
117.06997	7.6
119.08575	7.6
121.06487	3.2
121.10085	2.0
122.44512	1.0
123.08014	1.3
125.05976	9.8
128.06223	4.8
129.06990	7.8
130.07726	2.6
131.08559	11.8
133.06432	3.0
133.10121	6.0
135.08051	3.8
141.06952	1.6
142.07799	4.8
143.08549	23.6
145.06429	3.3
145.10117	29.7
147.08014	4.3
147.11639	2.6
149.09627	9.7
151.07512	2.7
153.06955	1.7
155.08554	12.1
156.09270	3.8
157.10103	19.6
159.07996	2.8
159.11661	4.2
161.09618	10.7
161.13232	2.6
163.11160	1.4
165.06976	3.1
165.09068	1.0
167.08510	1.7
169.10101	2.7
170.10809	2.4
171.07993	4.0
171.11630	5.0
173.09595	22.2
175.07619	1.1
175.11137	2.3
175.14796	3.1
177.05431	3.3
180.09305	3.3
183.11624	2.7
185.09550	1.1
185.13235	21.9
186.13399	1.2
187.11160	2.3
189.12682	3.8
191.10664	1.3
195.11678	8.9
195.13362	1.6
198.10378	2.0
201.12654	2.5
203.14250	11.8
213.12741	25.5
214.12975	1.5
219.13725	2.7
231.13770	40.1
232.14067	2.2
245.15303	4.0
249.14775	6.9
263.16296	2.8
302.04333	0.9
307.09247	1.2
331.18967	5.5
337.10559	1.5
377.37274	1.0
381.09467	2.8
381.22681	40.0
382.23224	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	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15041	1.6
57.03424	4.0
67.05511	2.1
69.03445	2.2
69.07064	100.0
70.06577	3.8
71.41975	2.3
73.06532	3.3
75.04452	3.6
85.02927	10.0
95.01299	4.3
97.02883	2.0
97.06528	10.9
113.02354	2.2
115.07556	32.4
128.26201	1.8
131.03384	1.9
141.01784	12.5
163.03923	5.4
171.08667	3.4
171.10155	59.4
171.11569	4.3
181.05000	2.4
189.11201	25.5
241.14488	1.9
245.11542	2.6
347.13522	2.6
382.23117	2.4
383.15408	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	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01866	5.9
57.03435	5.8
61.02917	6.4
68.22450	1.7
69.03432	39.9
69.19154	3.3
69.19550	6.1
71.04993	4.2
73.02917	5.3
74.55408	1.7
81.03416	22.2
85.02902	100.0
86.03254	2.1
87.00825	55.7
97.02898	39.5
98.22692	3.1
99.04452	13.4
105.01865	75.2
106.02214	2.2
109.02874	27.4
127.03909	73.9
129.01855	2.3
135.08031	3.0
136.06203	2.0
145.04951	35.4
147.04349	2.2
159.02870	11.3
191.07013	4.1
213.03926	3.3
231.04968	19.8
244.07834	1.8
249.06161	6.9
331.66318	1.8
343.30249	1.8
382.18637	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	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13317	1.0
52.93425	1.1
53.03931	4.7
55.01865	6.5
55.05505	1.2
57.03432	5.9
57.07050	2.6
59.86895	1.0
61.02917	5.2
67.05487	2.8
67.33804	1.1
68.99783	3.6
69.03424	33.7
71.04972	4.3
73.02909	5.6
79.05483	1.5
80.50455	1.1
81.03407	24.2
81.07027	2.1
83.04960	1.6
85.02897	100.0
87.00822	42.3
87.01305	0.9
91.03946	1.9
91.05463	2.6
93.07035	2.3
95.04951	1.5
97.02885	27.1
98.22701	2.9
99.04441	11.5
101.02353	1.4
105.01858	56.8
105.07026	3.2
107.08534	2.2
108.04463	2.6
109.02866	24.8
111.04417	3.5
115.03918	1.1
115.05439	1.0
117.01862	1.7
119.08559	1.8
121.10115	2.1
123.11662	1.3
126.05555	1.6
127.03902	59.7
128.04254	1.9
129.01811	2.8
136.06163	1.4
145.04941	30.5
147.02846	2.5
147.11699	1.1
159.02890	10.1
160.05188	6.9
161.05939	2.9
179.03362	2.6
184.69221	1.0
189.03867	2.7
191.07054	2.5
213.03900	2.3
223.54968	1.1
231.04976	16.4
249.06068	6.3
323.24255	1.1
365.06995	1.1
382.11459	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	382.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	0.6
56.96564	11.7
69.65896	0.6
69.66274	0.7
71.95255	0.6
98.97573	100.0
99.97926	0.5
114.40076	0.3
116.98612	62.4
117.98914	0.4
119.01936	0.3
134.99646	21.5
140.00194	0.5
153.00713	2.1
158.01187	0.4
174.97652	0.4
177.00972	0.7
192.98810	1.0
203.00789	0.4
212.66647	0.3
216.98827	1.4
219.01976	1.0
219.19983	0.4
234.99821	3.0
236.00012	0.7
240.98611	5.5
258.99756	65.7
259.99884	5.1
261.00085	0.6
261.03030	1.7
263.02844	0.7
274.97961	0.5
275.98102	0.4
277.00800	85.0
278.01004	5.5
279.01001	0.8
282.01126	0.8
282.99976	4.8
284.00073	1.0
284.99826	1.0
295.02078	0.9
298.97864	0.5
300.02194	1.1
301.00989	7.5
302.01117	1.5
303.00885	0.8
316.02567	0.4
316.99063	0.7
317.98923	0.8
319.01920	0.4
322.75568	0.4
322.94852	0.4
340.95837	0.5
342.98029	0.4
343.01785	0.6
359.00589	1.1
360.00092	1.0
364.99335	0.4
383.00095	2.5
401.01147	10.9
402.01294	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96285	0.6
56.96560	11.9
69.76873	1.1
71.95251	0.6
76.57477	0.3
97.02871	0.8
98.97572	100.0
99.97911	0.6
115.26067	0.3
115.62982	0.3
116.98608	56.9
117.99015	0.5
127.50399	0.4
134.99641	18.9
140.00206	0.6
153.00668	2.0
163.07465	0.4
176.56453	0.4
177.01036	0.6
192.98752	0.5
214.96481	0.4
216.98657	0.9
219.01851	0.5
221.01691	0.4
234.99759	0.9
240.98586	4.9
256.94220	0.6
256.97281	3.9
257.97150	0.4
258.99738	59.4
259.99875	4.1
260.99759	1.7
261.02985	1.9
262.03217	0.6
263.02783	0.6
270.98816	0.5
274.94470	0.5
274.97595	0.8
277.00781	79.8
278.00943	6.3
279.00851	0.9
279.98050	0.4
280.94427	0.6
280.97382	2.3
282.01425	0.6
282.99786	0.8
284.99802	3.7
285.99664	0.4
295.02008	0.8
296.95236	0.6
298.94876	0.8
299.97964	0.5
300.02386	0.8
301.01047	1.2
303.00772	4.4
304.00815	0.6
311.98712	0.4
314.96307	0.5
317.99185	0.5
318.98605	0.5
322.94955	0.4
336.93320	1.2
340.96005	0.7
340.99579	1.1
356.92209	0.5
358.93524	0.7
359.98895	0.6
368.43732	0.7
382.96106	1.8
383.00598	1.0
400.96875	3.8
401.01288	2.1
401.97299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19632	2.2
62.53417	2.0
70.08540	4.0
89.03900	4.0
107.05009	3.1
110.91771	1.9
117.03379	5.5
135.04408	10.4
142.23192	2.1
145.02844	5.0
163.03888	34.0
185.02087	83.9
203.03102	13.7
221.04218	100.0
222.04578	3.1
239.98880	2.2
318.99875	2.6
319.04205	2.5
383.07336	32.3
384.07724	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	383.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01857	0.8
67.05491	3.0
68.99780	1.1
69.07037	0.8
69.93600	2.3
79.05478	2.4
79.51730	0.8
81.03387	1.5
89.03893	2.1
90.04698	2.0
91.05465	6.2
93.07033	1.1
95.04957	6.1
95.08647	0.8
103.05459	4.2
105.03377	5.2
105.04500	1.0
105.07017	2.5
107.04970	5.4
109.02850	0.9
114.04692	4.5
115.05453	11.2
119.00217	0.7
119.04963	1.1
123.04399	3.8
130.44836	0.7
131.04918	15.6
132.05684	3.0
133.02841	18.4
133.06506	3.6
134.03632	0.8
135.04384	3.0
142.04141	1.9
143.04900	6.0
145.02861	1.5
146.03575	0.9
147.04396	14.3
147.05565	1.1
149.06073	0.9
151.03906	4.2
159.04404	13.7
160.05183	100.0
161.02353	3.5
161.05969	28.3
163.03879	5.5
175.03897	10.0
176.04712	2.0
177.05458	3.1
179.03380	27.5
179.08556	0.9
180.03874	1.1
187.03799	9.6
189.06990	2.0
191.01761	1.2
191.03378	16.8
191.08635	0.8
193.04906	1.2
203.03348	2.1
204.04167	5.8
205.04881	7.9
205.06514	1.1
206.05281	0.7
207.08098	1.0
217.06606	1.3
219.02847	5.2
220.03625	1.0
233.06139	1.1
234.06812	0.7
235.07672	1.4
245.05931	2.2
247.07486	2.1
257.06076	0.9
263.06885	3.9
273.05490	4.1
274.06372	0.8
275.07047	1.6
277.04831	1.1
279.06522	2.1
290.05695	0.8
291.06512	7.3
293.08191	1.2
295.06165	1.0
300.73862	0.7
301.04947	1.3
303.06464	2.6
319.05981	16.4
320.06409	0.9
321.07428	4.7
323.12592	0.7
328.47931	0.8
337.07080	4.3
347.05426	12.5
348.05960	0.9
365.06543	12.1
366.06717	0.9
373.03067	0.9
383.07745	5.3
383.27936	1.0
384.07843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05784	1.9
72.22472	2.1
73.00208	2.6
77.34729	2.4
121.06499	2.2
185.04196	92.4
188.58217	2.3
221.04195	58.9
262.06845	2.8
351.92291	2.4
383.09409	100.0
384.09869	6.1
401.66403	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	383.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26622	1.2
68.87645	1.3
69.25740	5.8
71.66901	1.4
98.23566	2.2
185.04196	100.0
186.04599	2.8
221.04199	25.9
383.09442	88.0
384.09723	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	383.131
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69112	0.5
70.71204	0.5
70.71551	0.5
85.02856	0.5
106.09116	0.4
111.82488	0.4
154.65271	0.4
185.04196	7.9
221.04155	3.5
221.07631	0.8
383.13168	100.0
384.09317	0.8
384.13550	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01865	5.8
55.05505	7.7
56.69160	1.3
57.03432	2.8
57.07076	3.0
58.34627	1.3
61.02922	1.7
65.03917	5.6
67.05500	55.3
68.46564	1.1
68.99786	2.3
69.03428	12.9
69.07095	5.9
69.73085	3.9
71.01344	5.9
71.04989	2.1
73.02898	1.5
79.05483	14.2
81.03406	17.7
81.07052	46.3
83.04978	29.3
83.08596	1.4
85.02897	14.4
87.00823	9.5
91.05470	13.1
93.03398	7.0
93.07041	22.1
95.04984	8.6
95.08595	8.4
97.02897	4.7
98.23384	2.2
99.04473	1.3
103.03941	2.0
105.01859	2.5
105.07012	10.7
107.04949	3.0
107.08580	16.3
109.02887	4.1
109.06522	1.6
109.10162	3.7
111.04436	100.0
111.08063	1.4
112.04776	1.8
113.05977	1.2
114.87872	1.2
115.03859	2.0
115.05457	1.2
117.07034	6.7
118.06513	1.3
119.05065	1.5
119.08567	8.1
121.06526	2.5
121.10169	8.3
123.04443	3.1
123.08075	2.8
123.11695	42.8
124.12061	1.7
127.03913	4.7
129.05463	2.5
129.07019	5.2
130.56850	1.1
131.04950	1.2
131.08536	7.2
133.06487	3.5
133.10146	8.6
135.08083	2.5
135.11691	11.5
136.06143	1.5
137.13257	2.1
139.03914	2.2
140.03474	1.4
141.06952	1.9
143.08582	2.8
145.06464	2.1
145.10130	4.4
146.06020	4.8
147.08070	2.1
147.11679	5.1
149.09616	2.9
149.13287	3.7
151.07587	1.5
151.11192	4.0
152.14346	5.6
155.08502	2.2
156.09393	1.3
157.10129	2.9
159.02885	2.0
159.08061	3.4
159.11650	5.8
161.13278	2.6
162.06538	1.1
163.11191	3.0
165.12764	4.9
169.10150	1.6
171.11705	1.8
173.09598	1.9
173.13165	1.9
175.11195	3.7
177.12714	7.7
187.14943	1.2
188.07021	2.6
189.12766	3.4
191.07001	1.3
196.16913	2.5
197.04459	1.2
197.13249	2.2
201.12843	1.5
207.13855	1.9
210.14944	1.8
212.50790	1.2
215.10661	1.2
215.14297	5.2
217.12119	1.3
219.13774	2.9
225.12866	1.4
233.15488	1.7
243.13802	8.1
261.14835	16.6
279.16000	3.1
339.20599	1.9
365.15906	2.7
383.16995	10.1
383.23224	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	38.4
55.05503	28.8
57.03439	14.5
57.07078	7.4
59.04992	6.8
61.02922	15.6
65.03925	7.7
67.05501	70.4
68.99789	20.6
69.03423	93.8
69.07059	22.7
69.27965	33.2
71.01346	9.9
71.04984	57.0
73.02937	8.4
75.63543	5.8
78.65466	7.2
79.05492	48.9
81.03413	71.1
81.07052	93.8
82.74447	6.3
83.04984	30.2
85.02899	68.3
87.00814	46.0
91.05466	70.3
91.05980	7.3
93.07033	84.8
95.04955	37.1
95.08595	46.4
97.02885	69.2
97.06561	9.6
99.04429	10.3
100.11239	11.0
103.05453	7.0
105.01886	12.7
105.04503	8.2
105.07012	98.0
107.04952	29.7
107.08578	100.0
109.02890	23.7
109.06506	26.1
109.10135	41.6
111.04433	69.3
115.03950	15.9
115.05473	14.9
117.03363	6.9
117.06979	41.3
119.04947	9.4
119.08582	74.1
121.06483	36.2
121.10146	74.5
123.04407	36.8
123.08055	21.6
123.11694	43.9
125.05978	9.0
127.03918	21.5
128.06198	10.9
128.07072	7.1
129.01805	19.0
129.06998	21.7
130.07759	10.4
131.08521	44.4
133.06473	23.0
133.10101	47.3
135.08047	22.5
135.11693	48.3
137.05968	14.5
137.09621	13.7
137.13260	10.4
143.08549	24.0
145.06433	15.2
145.10147	69.3
147.07991	40.3
147.11696	46.2
149.09621	18.6
149.13319	12.9
151.11148	14.8
155.08540	15.5
157.10095	12.9
158.07277	7.4
159.02859	14.5
159.08029	20.6
159.11687	30.8
161.09570	9.6
161.13309	8.6
163.07487	13.1
163.11142	20.4
165.09125	8.1
165.12715	30.1
171.08054	14.7
171.11655	9.5
173.09604	66.2
173.13312	6.5
175.07545	18.2
175.11185	25.4
177.05420	12.1
177.09174	10.7
177.12711	30.4
179.14279	8.2
183.11642	8.4
187.11209	12.9
189.03964	12.9
189.09123	13.4
189.12740	19.4
191.10652	30.1
193.12265	16.5
197.13298	8.4
201.03932	18.1
201.12782	14.4
205.12256	14.1
207.13850	13.8
215.14362	21.1
217.12212	10.2
219.13853	15.6
229.08827	7.7
233.15337	15.0
243.13760	66.9
261.14813	76.2
279.15894	28.7
297.17014	7.0
347.14835	8.8
365.15710	21.2
383.16974	46.3
398.58792	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	383.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	3.1
53.03938	12.2
55.01860	23.8
55.05507	13.5
57.03426	14.9
61.02916	9.1
65.03915	6.2
67.05157	5.3
67.05498	72.8
68.43302	3.2
68.99789	7.9
69.03426	59.5
69.07069	32.4
71.01353	4.9
71.04978	4.1
73.02908	7.0
79.05492	42.6
81.03411	100.0
81.07054	43.7
83.04993	22.2
85.02895	55.4
85.03400	4.5
87.00820	40.6
91.03970	3.7
91.05471	65.6
93.07037	67.5
94.01565	3.4
95.04964	68.8
95.08597	20.9
97.02872	19.8
97.06525	9.1
99.04446	14.5
103.03912	7.0
103.05478	4.4
105.01854	10.7
105.04530	4.2
105.07020	72.4
107.04942	25.5
107.08579	62.5
108.08952	4.9
109.02871	22.7
109.05817	3.7
109.06483	17.7
109.10139	50.1
111.04445	37.2
115.03933	4.4
115.05449	7.0
117.07017	29.2
119.08563	39.7
120.95840	3.5
121.06516	11.9
121.10130	40.0
123.04418	81.1
123.05269	5.2
123.08077	9.7
123.11692	23.5
124.04695	3.7
125.06013	8.0
127.03932	22.6
128.06221	7.9
129.01836	7.9
129.06134	3.7
129.06993	19.4
131.04933	6.6
131.08582	35.6
133.06465	22.6
133.10126	43.3
135.04395	5.2
135.08054	15.0
135.11687	41.2
137.02231	4.2
137.06027	4.0
137.09612	14.7
139.03889	12.7
141.07010	10.0
143.08530	15.0
145.04964	5.8
145.06473	17.0
145.10107	25.0
147.08058	10.1
147.11696	24.8
149.05952	6.2
149.09608	16.9
149.13248	5.5
151.11174	28.7
153.12808	4.1
155.08540	20.2
157.10127	13.6
158.07286	4.2
159.02870	9.7
159.08076	17.5
159.11678	20.9
161.05913	3.9
161.09633	13.3
161.13252	12.2
163.03897	8.0
163.07558	8.1
163.11140	17.0
165.12781	15.9
168.09335	3.4
169.10165	7.4
171.11742	10.8
172.08893	5.1
173.09625	13.3
173.13278	10.9
175.07391	4.6
175.11160	38.0
177.09143	10.2
177.12732	19.2
179.10652	9.9
179.14293	5.8
181.12219	21.9
183.08128	11.2
183.11650	6.4
187.07544	9.9
187.11177	7.1
189.03906	5.5
189.12695	16.0
193.12238	11.1
197.13220	9.1
199.11131	7.8
201.03961	4.1
201.09091	9.6
201.12744	15.5
203.10687	5.4
207.13950	4.6
213.12686	3.3
215.14272	24.7
217.12186	5.1
219.13757	37.8
225.12698	16.9
231.04999	6.1
233.15280	7.4
243.13766	80.8
261.14835	47.4
279.15915	14.7
302.77194	3.3
347.14761	21.8
365.16031	13.0
383.12476	7.1
383.16895	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.4
55.01873	21.6
55.05511	18.2
57.03438	14.0
61.02939	9.7
65.03944	7.7
67.05495	49.4
68.99799	16.8
69.03425	73.4
69.07067	10.0
69.88509	3.8
71.01349	7.4
71.04993	16.5
73.02908	6.4
74.85300	3.8
77.03931	6.0
79.05493	53.3
81.03413	69.1
81.07053	100.0
81.07504	8.1
83.04977	17.6
85.02902	58.8
87.00817	33.6
91.05476	45.8
93.07043	99.7
95.01385	4.1
95.04962	53.1
95.08596	27.1
97.02896	37.6
97.06542	11.5
99.04455	15.6
103.03944	13.0
105.01847	15.4
105.04559	5.3
105.07030	71.2
107.04928	19.6
107.08586	91.7
109.02866	32.1
109.06512	37.4
109.10161	40.3
111.04472	20.5
115.03941	8.6
115.05438	4.2
117.01853	4.2
117.07018	16.0
117.94949	4.1
119.04966	4.5
119.08557	57.8
121.06505	22.8
121.10143	50.5
123.04428	53.8
123.08047	12.2
123.11680	12.4
125.05999	14.3
127.03902	22.4
128.06203	5.1
129.01843	10.7
129.05540	4.7
129.07022	15.4
130.07838	9.3
131.08548	23.8
133.06561	10.2
133.10109	38.9
135.04428	7.2
135.08075	14.8
135.11691	45.9
137.05977	4.5
137.09621	18.3
139.07530	5.8
141.05467	9.7
141.06982	6.6
142.07802	6.8
143.08601	12.0
143.76308	3.9
144.93719	3.7
145.01146	4.3
145.02866	8.4
145.06476	6.3
145.10085	26.4
147.02794	5.1
147.08070	9.2
147.11682	34.3
149.05981	9.6
149.13260	5.5
151.07524	10.7
151.11200	8.5
153.05446	6.7
153.12981	3.9
155.08563	8.4
156.09422	4.2
157.10144	14.0
159.02882	9.9
159.08014	7.8
159.11681	27.3
161.09644	5.7
161.13258	9.1
163.03899	10.5
163.11206	19.5
164.09532	3.8
165.12747	21.1
167.07069	8.2
167.08533	5.9
169.10104	7.9
171.11783	5.2
173.09593	9.5
173.13246	4.8
175.07597	4.3
175.11209	16.4
177.05469	11.5
177.12747	16.5
179.07042	4.5
183.11732	4.4
185.02094	8.5
187.11160	9.0
189.03979	12.3
189.12639	9.5
193.12247	6.0
201.12747	13.2
207.13773	6.1
215.14354	14.9
219.13763	13.1
221.04376	9.9
225.12740	7.0
231.04836	6.1
234.98689	4.0
243.13814	30.5
261.14862	43.0
279.15912	5.7
285.10373	4.0
297.17123	5.0
347.14978	8.0
365.15891	20.0
383.17218	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
57.84999	0.8
59.04998	1.2
66.92163	0.8
67.05499	1.6
68.05025	1.2
69.07053	1.4
69.25778	3.3
69.26199	2.5
70.80280	0.8
72.12932	0.8
79.05489	2.9
80.05017	4.1
81.07058	2.7
82.06579	2.1
83.08614	0.8
84.08105	0.8
86.06057	0.9
91.05468	1.3
93.07029	5.3
94.06545	1.1
94.14265	0.8
95.04958	1.0
95.08607	3.0
96.08093	1.5
97.10137	0.8
98.06046	10.5
105.07029	1.8
107.08588	3.0
108.08088	1.8
109.08842	1.1
109.10133	1.2
110.09675	3.2
114.05500	4.1
115.05486	1.3
116.07054	1.4
116.30045	0.8
117.07018	3.9
118.06532	37.6
119.08588	0.9
119.28465	0.9
121.10110	1.3
122.09666	2.1
123.10462	1.6
124.11262	1.6
130.06514	12.5
135.11729	2.4
138.05508	1.4
142.06534	3.2
143.07336	4.9
144.04428	1.5
144.08070	23.4
144.09178	1.7
145.08438	0.9
146.05994	99.9
147.06400	2.4
150.12790	4.7
152.14330	84.8
152.80663	0.9
153.14705	3.0
156.06624	1.0
156.08064	1.9
160.07556	1.4
163.77249	0.8
164.14330	1.1
165.07863	1.7
169.07597	1.4
170.06001	6.3
178.15833	4.0
184.11244	3.3
188.07051	73.6
189.07393	3.3
196.16957	47.4
197.17210	1.5
197.32759	0.9
208.13266	5.2
210.14851	9.3
222.18552	0.9
241.09575	0.8
254.17470	15.5
263.07745	0.9
267.11252	3.3
339.20633	45.8
340.07452	0.9
340.21042	2.9
377.74930	0.9
383.23260	100.0
384.12985	1.4
384.18307	1.2
384.23560	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.2
62.04881	1.2
62.95647	1.1
67.05489	2.1
69.07045	2.4
69.28219	4.2
69.28625	3.0
79.05488	3.5
80.05011	1.8
81.07049	4.7
82.06580	2.0
83.08629	1.9
84.27820	1.3
88.03954	1.3
88.07590	1.1
91.05478	4.1
93.07033	6.0
95.08610	2.8
100.07652	1.2
100.11259	2.2
103.21336	1.2
105.07037	1.8
107.08559	2.6
108.08083	2.1
110.09655	4.0
114.05499	2.4
115.05480	1.8
117.07023	2.4
118.06534	36.5
120.96638	1.1
121.10083	2.1
123.10433	1.8
124.11215	1.7
130.06531	8.4
135.11674	4.3
142.06477	3.3
143.07335	2.6
144.08084	19.4
146.05994	92.4
147.06332	2.6
149.02336	11.6
150.02625	7.3
150.12729	3.0
152.14328	100.0
153.14658	2.4
154.15918	1.5
156.10199	1.6
156.13918	3.4
164.14320	1.4
165.07816	2.8
170.05920	6.2
182.15480	2.4
183.15720	1.6
184.11203	1.9
184.13298	2.5
188.07047	61.8
189.07500	1.7
189.64879	1.3
193.04967	14.4
194.05315	10.0
196.16948	54.4
197.17291	2.7
208.13301	3.7
210.14877	12.6
241.09772	1.2
252.16013	1.7
254.17506	9.1
269.29050	1.4
310.22272	1.2
339.20639	49.6
340.20917	2.6
383.23236	84.0
384.23685	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.9
57.07063	13.9
64.22833	11.6
67.05490	45.9
69.03398	14.4
69.07061	16.4
71.32361	11.7
79.05473	36.4
81.07050	51.8
91.05467	63.9
92.83064	10.5
93.07039	92.8
95.04967	42.1
95.08598	30.7
95.29301	11.3
97.06500	17.7
105.07005	100.0
107.08603	42.7
107.42992	9.9
109.06521	47.0
109.10138	42.4
117.06999	13.2
119.08578	50.9
121.06468	14.4
121.10145	45.3
123.08052	22.1
131.08513	18.9
133.10143	24.8
141.35294	11.2
142.07759	25.0
143.08543	25.5
145.10114	41.6
147.08038	22.2
147.11722	10.6
149.09599	20.1
151.07523	45.7
157.10110	33.1
159.11662	17.1
161.09596	23.9
165.09126	34.5
173.09566	18.8
173.13231	13.7
177.09038	12.7
203.14334	23.0
218.92725	12.1
221.15370	77.9
268.12717	13.2
286.18982	11.9
383.25772	61.7
383.30194	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	384.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36092	2.5
69.78535	4.1
69.78867	4.6
117.94072	2.7
140.13722	3.2
141.48705	2.4
143.49043	2.4
190.07793	9.6
205.10118	16.6
218.07164	3.0
233.09566	44.8
249.95438	2.7
261.09064	100.0
262.09412	7.4
279.10132	60.0
280.10422	3.2
311.12753	6.1
339.12256	22.8
408.67230	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	385.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95949	12.9
62.07251	14.1
66.49805	12.8
67.05727	12.8
70.06575	20.4
71.41644	23.3
73.02609	14.9
74.33321	12.5
98.97559	15.0
103.60085	16.2
107.04967	26.9
108.80984	15.7
108.86665	14.3
122.29667	13.2
134.02713	13.8
136.68427	15.7
150.41757	12.5
167.02203	14.5
234.99780	30.3
261.05505	16.9
361.04666	14.9
385.09668	47.2
385.14709	12.5
385.18600	100.0
403.06537	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35932	5.8
85.06325	5.3
125.53175	6.2
142.90373	5.8
149.02364	36.6
182.66895	5.4
193.04921	34.3
239.33963	5.1
324.83047	6.2
367.12994	71.3
384.30774	100.0
385.09064	20.7
385.14474	25.4
385.19827	73.0
385.31055	55.5
386.20227	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	385.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58904	0.4
55.03387	0.4
69.00780	0.5
76.59258	0.5
95.21118	0.4
98.23459	0.9
121.28609	0.4
123.04169	4.9
133.63773	0.5
176.55730	0.4
185.04208	5.9
223.09384	100.0
224.09679	3.5
247.67358	0.4
262.18948	0.5
285.09341	2.3
385.14655	52.1
386.14825	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27829	1.2
98.23525	2.2
107.13071	1.5
108.07917	1.5
115.73562	1.3
189.05197	13.5
219.13489	11.8
287.45673	1.5
357.20419	5.2
385.19800	100.0
386.20148	5.4
386.35760	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.2
53.03952	0.2
55.01853	0.4
65.03920	0.7
67.05498	0.4
69.03410	0.2
69.18723	1.3
75.04473	2.1
77.03915	0.6
78.04691	1.3
79.05490	2.5
80.06245	0.9
81.07038	0.3
90.04681	0.7
91.05466	9.2
92.06264	0.4
93.06614	0.2
93.07043	2.1
94.04163	0.3
94.40779	0.2
94.74778	0.2
95.04965	1.7
95.08613	0.4
101.59582	0.2
103.05454	2.2
104.06185	0.3
105.03362	0.7
105.04501	0.6
105.05493	0.5
105.07021	3.0
106.04187	1.1
107.04940	7.7
107.05667	0.4
107.08568	0.6
108.05729	4.0
109.06514	3.0
115.05428	1.2
115.87202	0.2
116.06228	0.4
117.07018	1.9
118.04135	0.6
119.04959	1.0
119.06020	0.7
119.08553	0.6
120.05683	0.8
121.02863	1.0
121.06491	8.3
122.07278	0.9
123.04441	1.2
123.08054	3.6
124.05198	0.4
125.05952	0.3
128.06206	1.0
129.07002	1.5
131.04916	2.4
131.08516	1.5
132.05655	0.4
133.06491	3.1
134.03596	0.4
134.07210	0.8
135.04395	3.8
135.08026	5.7
136.05173	22.9
137.05972	5.6
137.09567	0.5
138.06743	2.4
139.07547	2.5
141.06932	0.4
143.04892	1.3
143.08536	0.6
144.05685	1.2
145.06470	5.1
146.07259	2.7
147.04366	0.8
147.08029	5.0
148.05162	7.0
149.05986	3.3
149.07068	0.3
149.09575	0.9
150.06740	5.4
151.03967	4.9
151.07516	100.0
152.07878	3.2
153.05424	1.2
153.09077	2.2
155.05983	0.3
156.05688	0.7
157.06444	2.0
158.07256	2.6
159.04358	0.8
159.08035	5.2
160.08849	1.5
161.05952	4.5
161.09564	1.2
162.06783	1.3
163.07510	9.3
164.08311	5.8
165.05469	3.5
165.09094	24.4
166.06232	46.0
166.09604	1.1
167.07013	7.8
168.07753	2.0
169.08560	0.9
170.07262	0.3
171.08029	5.7
172.05077	0.2
172.08804	2.5
173.05966	6.9
173.09575	0.9
174.06752	4.8
175.07515	3.1
175.11165	0.2
176.08292	3.1
177.05513	0.6
177.09085	20.7
178.09669	0.8
179.07002	1.5
179.10637	3.2
180.07791	5.7
180.11139	0.2
181.08565	93.8
182.08936	3.7
183.10066	1.3
184.10420	0.3
185.06000	0.5
185.09584	0.8
186.06755	0.8
186.10402	0.6
187.07513	8.6
188.08282	8.2
189.09074	14.1
190.09837	1.7
191.07011	0.7
191.10631	7.1
191.12415	0.3
192.07744	0.6
193.08572	4.6
194.07053	0.2
194.09332	0.9
195.10130	10.2
196.10519	0.3
197.08842	0.2
200.08249	0.3
201.05310	0.2
201.09070	10.2
202.09853	9.0
203.07143	1.1
203.10635	10.2
204.07785	1.4
204.11018	0.7
205.08580	2.0
206.09351	0.5
207.10130	4.0
209.11621	0.4
215.10657	3.1
216.07709	0.3
216.11377	0.7
217.08696	1.1
217.12219	3.1
218.09369	1.3
219.10117	2.6
221.11615	1.1
229.12164	0.4
231.10056	1.3
232.10899	0.4
233.09505	0.4
233.11623	2.0
234.10318	0.2
238.09897	0.2
245.09357	0.3
246.10358	0.3
247.11166	0.5
247.13283	0.9
252.11465	0.2
258.10297	0.4
261.12665	0.5
262.13406	0.5
263.10590	0.6
275.10620	0.5
277.12112	0.3
278.12958	0.6
279.13669	0.7
289.12180	0.4
290.13098	0.6
291.10052	0.5
291.13037	0.3
293.12079	0.3
293.15222	1.2
294.15900	0.2
295.13266	0.4
305.11789	0.3
306.12543	0.4
307.13135	1.2
308.13840	0.4
311.16306	0.3
321.14767	2.4
322.15421	1.4
323.12704	0.9
323.16382	1.3
337.14203	0.4
338.15033	0.9
339.15817	2.3
340.16620	0.8
346.30212	0.2
353.17422	7.6
354.18161	13.2
355.15244	0.8
355.19083	1.6
369.16760	0.2
370.17676	50.5
371.18015	3.7
383.18475	0.8
385.20013	85.7
386.20380	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	386.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69184	2.7
55.01868	4.4
55.05498	4.7
57.03425	13.7
61.02909	6.1
69.03117	4.1
69.03429	49.5
70.06577	22.6
71.04993	4.7
71.06919	5.6
72.08137	9.2
73.02916	22.1
79.05476	4.6
81.03416	9.6
83.04927	3.6
85.02405	5.7
85.02899	89.2
85.03410	5.1
86.09700	4.9
87.04460	22.8
91.03943	4.8
93.53591	3.1
95.04961	7.6
95.08636	4.0
97.02882	46.6
99.04465	6.9
105.07011	7.9
107.08578	16.8
109.02901	6.2
115.03913	35.3
119.08556	7.4
120.08064	8.4
121.06448	6.0
121.10137	12.9
123.08047	11.4
127.03931	24.2
133.04947	43.4
137.09607	9.6
138.09135	11.1
139.07320	4.1
139.08606	3.2
144.22589	3.7
145.04970	38.9
147.11684	34.4
149.09616	6.7
159.65645	3.4
163.05989	13.7
163.11099	5.2
165.12732	5.2
171.58644	3.5
189.12712	15.5
207.13853	16.4
224.08888	4.5
224.12750	3.9
225.14915	6.0
259.08096	7.3
297.11301	3.9
301.12476	10.3
343.13559	56.0
369.19278	4.2
386.14481	32.5
387.12488	100.0
387.16418	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	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21820	3.8
55.01863	5.2
57.03432	22.4
61.02906	5.2
61.83328	4.5
69.03066	6.3
69.03423	77.7
69.07088	4.6
69.60613	16.2
70.06583	20.4
71.06913	4.7
72.08154	6.4
73.02909	12.0
79.05518	5.3
81.03396	11.6
81.07053	5.4
85.02895	100.0
87.04447	46.6
91.03959	4.7
95.08578	11.5
96.80050	4.4
96.80782	4.3
97.02881	73.7
99.04440	14.0
105.06991	7.8
109.02878	7.3
114.33096	4.2
114.71561	4.4
115.03920	71.6
119.08550	7.3
127.03914	28.7
133.04958	94.9
135.11702	5.5
145.04959	44.7
147.11623	7.8
150.07594	6.2
163.05975	29.9
167.07037	51.3
175.11693	5.7
193.08617	5.0
207.06516	5.2
207.13864	8.3
225.14830	8.4
269.67075	5.5
293.19812	5.1
336.82840	4.8
343.13809	6.7
386.14658	14.7
387.12463	19.8
387.16208	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	386.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	12.8
69.71324	7.2
73.97299	6.8
79.05489	8.4
81.07038	15.4
91.05466	21.2
91.67756	8.0
92.68908	7.4
93.07024	11.0
94.48782	7.4
95.04959	32.9
95.08591	19.3
98.22688	19.6
101.49391	7.1
105.07028	52.2
107.08578	14.9
109.06495	7.8
109.10120	9.4
115.05382	11.9
119.08574	22.2
121.06544	12.8
123.86189	7.3
126.33382	7.0
131.08548	18.6
133.10133	14.1
135.08047	7.5
137.05966	100.0
143.08591	9.7
145.10042	13.2
147.11685	29.6
148.90184	8.9
157.10146	20.9
159.11607	15.9
161.09636	16.3
167.06950	18.4
175.11183	35.4
181.04927	12.9
186.52899	8.2
187.14827	29.3
189.12737	21.3
193.12199	9.6
215.14265	31.5
233.15308	17.1
234.07680	15.3
249.07649	7.9
252.66086	8.6
343.17041	15.9
357.13184	23.3
373.95050	10.0
387.16187	81.4
404.47064	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	386.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	7.6
58.06599	4.8
67.32883	0.5
71.08611	4.0
72.08151	16.2
82.71906	0.6
85.10199	0.8
87.06098	0.8
91.05457	0.7
121.10162	0.8
125.12648	0.6
156.17459	7.9
162.18839	0.7
170.19040	2.7
197.08087	2.3
203.54759	0.7
212.23729	6.2
218.20967	0.8
226.25317	1.2
303.33353	0.7
324.36200	28.5
325.36490	2.7
353.89685	0.8
386.39886	100.0
387.40210	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	387.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10187	1.7
60.46724	1.3
69.36587	4.8
69.36991	3.0
104.99258	16.6
305.11456	100.0
306.11713	6.6
323.12579	2.1
327.09415	1.8
346.14047	3.0
387.16748	13.6
405.18283	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1263
Annotation	Axitinib
Peak:m/z	Relative Intensity
55.96988	0.7
59.05002	0.7
68.40821	0.6
70.06575	2.5
71.43239	0.6
85.02907	1.0
95.04938	0.9
103.07586	1.1
126.01073	0.8
137.05957	5.0
139.07304	3.1
160.36063	0.7
167.06863	1.1
185.04259	0.9
207.04340	1.5
209.13794	1.2
225.07332	2.1
227.05147	1.3
258.03384	0.6
267.06525	0.9
271.04144	0.9
289.05209	0.8
301.12454	8.3
302.12973	0.8
305.24658	0.8
325.12228	1.1
326.11542	0.9
339.13181	0.7
343.13538	43.1
344.13800	1.8
378.71957	0.7
387.12485	100.0
387.27017	2.2
388.12677	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	387.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.05512	7.5
65.03944	3.2
67.05500	6.4
69.03434	9.3
69.07063	3.4
70.06587	16.2
70.57035	4.4
71.04995	12.4
72.08152	6.8
79.05489	11.5
81.03416	6.8
81.04566	4.6
81.07067	9.3
83.04951	3.6
83.06103	4.2
84.04522	3.0
84.08150	3.7
85.02901	20.8
86.09702	21.7
91.03917	3.3
91.05472	25.3
93.07037	6.6
94.04135	3.6
95.04978	9.2
95.08614	7.0
96.72389	3.5
96.73026	3.2
97.02881	9.2
97.06511	4.3
99.04446	44.7
105.07021	9.8
107.04978	4.4
107.08590	25.1
109.02872	3.8
109.06519	9.8
109.10146	3.8
110.07162	21.7
110.41428	3.0
111.04429	4.9
111.07541	3.9
115.05469	3.9
118.41554	3.3
119.04962	20.4
119.08588	13.1
120.04426	2.9
121.02855	10.6
121.06533	3.8
121.10136	10.6
122.03656	7.1
123.04384	3.9
123.08072	14.3
123.11758	7.6
125.06020	4.2
125.09591	5.3
127.03870	5.4
131.08594	6.3
133.10094	3.8
137.05968	100.0
137.09587	8.0
139.07549	4.3
144.06607	4.1
145.04919	4.4
145.06569	4.9
147.04436	20.7
147.11711	12.7
149.02354	8.4
149.09621	10.3
151.03867	5.2
151.07544	7.5
153.05429	3.6
156.07739	3.9
161.06001	3.4
161.09427	5.1
163.03915	11.8
165.12744	9.8
167.07043	22.7
167.10641	18.1
171.06523	3.2
173.06111	3.2
175.03873	24.1
177.01854	11.5
177.05481	3.4
179.07040	4.8
181.04953	30.5
183.13821	12.6
185.12845	4.9
186.02228	3.6
189.06911	3.0
189.12776	8.8
203.07060	4.8
205.08693	4.5
207.02916	6.2
207.06511	65.7
207.13763	22.6
209.04488	6.5
209.11777	6.6
219.08087	13.0
225.10976	11.6
225.14783	18.2
233.08067	5.5
235.07509	5.0
247.07466	14.4
264.07809	4.4
279.10037	5.9
281.74930	3.7
282.22025	3.4
289.05255	6.7
307.09717	18.9
324.09857	5.3
327.12271	3.4
339.12204	11.4
343.13727	12.9
357.13303	9.0
369.22244	4.0
375.09515	3.6
387.13202	17.8
387.15771	22.3
387.23166	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	387.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
63.64461	0.2
65.03944	0.8
67.05493	0.6
69.03415	0.3
69.41143	1.0
77.03916	0.3
77.37200	0.2
79.05490	1.1
81.03413	0.4
81.07047	0.7
85.02886	0.9
86.09711	0.4
87.80530	0.2
91.05486	1.1
93.06921	0.3
94.04178	2.9
95.04945	0.7
95.08589	0.3
97.06528	0.3
105.07001	0.3
107.04956	0.8
107.08556	0.3
110.03634	0.3
111.73525	0.3
115.05468	1.9
117.07024	1.7
121.02854	0.7
122.03638	8.7
123.04418	0.6
124.05280	0.3
125.06027	0.3
131.08495	0.3
133.10110	1.4
137.05965	100.0
138.03133	0.5
138.06303	2.5
143.04900	3.1
143.25739	0.3
145.06450	2.2
147.07991	0.6
151.03885	2.6
151.05002	0.5
151.11153	0.4
153.05490	0.8
155.06033	1.0
163.03902	0.4
167.07030	12.9
171.04352	0.5
171.06531	0.9
173.05980	2.9
173.13251	0.4
175.07484	0.7
179.57156	0.3
181.04941	13.0
182.05229	0.3
191.14322	0.6
203.06966	1.8
205.08569	1.9
209.04445	0.4
221.08002	0.3
233.08060	1.6
235.09654	2.0
307.09622	0.3
338.36905	0.3
357.13269	12.8
358.13705	0.5
385.46826	0.3
387.14291	21.7
388.14532	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.01538	0.3
65.03930	1.0
66.04716	0.3
67.05496	0.4
69.03406	0.3
69.78246	0.3
74.12237	0.3
75.56979	0.3
79.05476	1.0
81.03389	0.3
81.07027	0.8
85.02905	1.0
88.02180	0.3
91.05470	1.3
94.04176	3.7
94.59837	0.3
95.04964	0.9
97.06488	0.6
99.04475	0.4
105.07057	0.4
107.04931	0.5
109.06467	0.3
110.03652	0.3
115.05434	1.6
117.07028	1.6
119.08511	0.5
121.10184	0.3
122.03638	8.8
123.04422	0.6
133.10091	0.4
137.05963	100.0
138.06314	2.8
139.07524	1.1
143.04906	3.4
145.06473	2.0
145.87482	0.3
147.08015	0.5
149.09589	0.3
151.03922	2.9
151.04999	0.5
153.05467	0.9
155.06032	0.9
163.03958	0.3
167.07037	11.1
171.06543	0.9
173.05965	3.2
175.07503	1.3
181.04938	12.3
182.05287	0.4
186.52203	0.3
191.07053	0.4
191.14212	0.4
203.07056	1.9
205.08630	2.1
206.07256	0.4
207.13759	0.5
207.18553	0.3
220.83286	0.3
233.07993	1.6
235.09673	1.9
261.10980	0.3
267.71124	0.3
357.13297	12.2
357.17743	0.6
358.13727	0.6
387.14316	25.3
388.14575	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01856	0.6
65.03923	1.7
67.05485	1.1
69.03399	0.4
77.03946	0.4
79.05476	1.7
81.07036	0.9
82.04179	0.5
85.02903	1.3
91.05466	1.5
93.03387	0.7
94.04166	3.6
95.04951	1.0
97.06571	0.8
102.04706	0.4
103.05470	5.2
105.03385	0.4
105.06992	0.4
107.04921	1.9
108.02101	0.5
110.03646	0.8
111.04465	0.4
113.95294	0.3
115.05441	2.2
117.07049	1.6
117.53748	0.3
118.04149	1.0
119.72484	0.4
122.02808	0.6
122.03645	8.6
123.04387	0.8
124.05117	0.4
125.06000	1.1
130.04077	0.3
131.04910	4.0
132.05693	0.4
133.02847	0.5
133.06512	0.7
137.05963	100.0
138.03125	0.6
138.06303	2.1
141.05429	0.5
143.04892	3.4
145.06494	2.5
147.08064	0.6
148.05180	2.9
151.03900	14.7
151.05008	1.5
152.04459	0.4
153.05453	1.5
155.06044	0.5
161.05968	0.6
163.07538	4.6
167.07022	11.2
171.06520	1.2
173.06010	2.7
175.07484	1.3
177.05482	0.5
181.04944	24.8
182.05283	0.7
191.05261	0.8
191.07018	15.7
192.07385	0.5
203.06970	1.9
205.08556	2.4
207.10216	0.4
209.08148	0.5
231.57686	0.4
233.08110	1.2
235.09708	2.7
237.08995	0.6
246.25946	0.4
259.17911	0.4
265.08533	0.5
277.08539	0.4
309.11087	0.4
314.11362	0.5
327.12314	0.4
351.12399	0.7
355.11685	1.1
357.13281	9.8
358.13690	0.8
369.13437	0.6
387.14325	23.9
388.14661	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.02369	1.0
53.03924	1.9
55.01859	2.3
59.92778	0.9
65.03928	5.4
67.05487	3.0
69.03424	2.5
77.03932	1.7
79.05484	4.1
81.03411	2.8
81.07013	1.3
82.04204	1.5
82.60767	1.0
84.77591	1.2
85.02899	6.0
91.05479	3.1
92.18415	1.0
93.03392	1.8
94.04179	2.2
95.04963	3.9
97.02876	2.5
103.05464	18.7
105.01870	1.1
105.04517	1.4
105.07029	4.5
107.04954	4.5
108.02095	1.6
109.02900	1.5
109.06509	1.6
110.03648	2.6
111.04456	2.1
115.05450	4.7
117.07014	5.2
118.04157	5.1
119.04939	3.1
121.02959	1.1
121.06506	1.2
122.03623	8.2
123.04418	3.8
124.05162	1.3
127.03921	3.7
129.37018	1.0
130.04121	2.0
131.04921	20.5
133.02879	2.5
133.06485	3.3
135.08105	1.8
137.05963	100.0
138.06293	1.5
139.07530	3.0
141.05476	1.2
143.04921	3.1
145.04976	1.2
145.06490	6.6
146.03642	2.1
148.05180	10.3
149.05920	2.0
151.03899	58.9
151.04962	4.1
153.05437	2.7
155.06050	1.5
159.02919	1.5
160.05180	1.4
161.06013	1.7
163.07532	20.5
165.05490	2.2
167.07022	32.8
167.47557	1.1
168.07372	1.2
171.06538	4.6
173.05991	6.9
174.06647	1.3
175.07562	3.3
176.04686	2.5
177.05434	1.0
181.04939	69.3
182.05302	1.6
187.07494	1.9
191.07011	77.9
192.07433	1.8
193.08539	2.0
203.07054	3.3
205.08604	3.9
207.08260	1.1
209.08058	3.1
219.09972	1.5
228.81656	1.2
233.08057	4.4
235.09627	2.9
247.07506	1.0
265.84143	1.1
267.10156	1.4
277.08624	2.5
293.08020	1.2
296.70905	1.1
327.12430	1.4
337.10626	1.6
351.12167	2.4
355.11768	5.7
357.13254	10.9
369.13245	3.5
375.32596	1.2
387.14328	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	387.1436
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03949	0.9
54.82113	0.8
55.01871	1.3
59.29892	0.8
65.03937	5.1
67.05493	3.2
69.03426	1.1
69.37265	3.9
71.70996	0.9
75.30090	0.7
77.03923	0.9
79.05475	2.3
81.03411	1.7
81.07037	2.0
82.04196	1.6
85.02924	2.0
91.05459	2.9
91.75690	0.9
93.07072	1.4
94.04169	4.0
95.04969	2.1
98.23482	1.2
103.05460	14.2
103.94965	0.9
105.07047	2.6
107.04987	2.6
108.02082	1.6
110.03668	2.1
111.04417	1.5
115.05459	3.6
117.07002	2.3
118.04140	2.3
122.03658	8.1
125.05952	1.9
130.04120	1.5
130.15630	0.8
131.04921	13.5
133.02820	1.8
133.06482	2.2
133.10161	1.0
134.03596	1.1
137.05968	100.0
137.36728	0.8
138.06357	2.9
143.04915	3.9
145.06479	4.0
148.05194	6.5
151.03915	38.4
151.05038	5.4
153.05458	4.4
161.05957	1.8
163.07536	14.4
165.05458	0.9
167.07042	11.6
171.06528	3.2
173.05991	3.6
175.07526	3.0
176.04611	1.3
181.04941	59.5
182.05350	2.2
185.13133	1.0
191.07011	52.6
203.07002	3.1
205.08594	4.8
207.06389	1.0
209.07997	1.5
233.08109	2.0
235.07520	1.4
235.09689	3.3
263.09271	1.2
293.08258	1.3
327.12372	1.1
330.96671	0.9
351.12302	2.7
355.11905	4.0
357.13226	12.8
358.13531	1.1
369.13275	3.0
387.14322	32.9
387.19351	1.6
388.14691	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.04350	1.7
53.03951	2.4
55.01886	1.8
55.05508	3.3
57.03432	5.1
57.07075	2.5
61.02919	7.3
67.05503	5.2
69.03416	21.0
69.03681	1.8
69.07066	3.3
69.51900	8.9
70.06586	2.4
71.04998	10.3
72.08167	1.8
73.02918	3.9
79.05499	9.6
81.03439	10.1
81.07043	12.6
83.04987	3.7
85.02902	38.8
86.09735	2.5
91.03945	2.4
91.05465	12.1
93.07030	10.8
95.04967	7.7
95.08601	16.1
97.02869	12.5
97.06523	2.0
99.04436	5.5
105.07018	26.4
107.08586	62.0
109.02874	5.9
109.06505	9.5
109.10167	6.8
117.03400	1.8
117.07001	4.1
119.08562	29.0
121.06501	2.8
121.10138	43.2
123.04455	3.7
123.08060	21.6
123.11716	12.8
127.03901	9.1
131.08578	9.8
133.10129	6.0
135.04398	2.9
135.08098	1.9
135.11711	3.4
137.09608	35.5
143.08563	4.0
145.04996	5.3
145.10092	9.8
147.08012	2.9
147.11682	100.0
148.12054	3.5
149.09604	52.5
151.07559	6.0
151.11194	2.4
156.09369	6.5
159.11710	4.6
161.09702	2.3
161.13237	9.7
163.03918	8.0
163.11182	16.9
165.12727	22.2
167.07024	75.4
167.10661	2.2
171.11673	9.7
189.12727	62.7
190.13081	3.2
191.14268	4.6
193.08592	2.2
207.13777	49.2
207.15590	3.5
208.14192	2.7
211.09587	2.6
225.07343	5.6
225.11232	4.0
225.14854	22.5
226.07051	3.6
234.62222	1.7
314.49701	2.0
343.13541	12.7
369.19080	13.0
387.11682	24.8
387.16150	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	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03917	2.5
53.28949	1.0
55.01868	2.2
55.05495	2.9
57.03430	6.9
57.07064	2.5
60.05636	2.0
61.02922	6.8
65.03876	1.1
67.05490	3.7
69.03426	18.9
69.07062	2.0
70.06589	15.3
70.81340	1.6
71.04984	5.3
72.08130	2.9
73.02911	2.5
79.05491	7.3
80.92088	1.0
81.03408	6.2
81.07056	9.8
83.01339	1.2
84.08142	1.3
85.02899	42.8
85.06529	1.6
86.09695	3.1
87.04449	3.5
91.03947	1.4
91.05473	10.0
93.07023	6.3
95.04932	3.5
95.08596	17.1
95.15665	1.1
97.02885	14.6
99.04447	2.6
102.23865	1.1
103.05486	2.4
105.07018	22.9
107.08586	58.3
108.08854	1.0
109.02842	4.9
109.06527	8.6
109.10159	3.5
111.08054	1.8
112.08734	3.1
119.04908	1.0
119.06091	1.2
119.08571	22.3
121.06483	2.2
121.10124	32.6
123.08057	23.1
123.11688	13.4
127.03932	7.8
129.10278	1.1
130.07764	1.3
131.08562	5.6
133.06557	1.2
133.10132	3.3
135.08060	1.2
135.11710	1.9
137.08580	2.3
137.09602	35.6
145.04958	6.2
145.10156	6.2
147.04358	1.3
147.11673	100.0
148.11995	3.8
149.09598	29.1
151.07523	6.1
153.05478	1.2
156.09219	1.4
157.10838	1.5
161.13249	3.1
163.11162	14.7
164.12004	2.0
165.12737	21.8
167.07014	5.4
171.11627	2.1
175.03848	1.2
189.12729	41.2
191.14293	1.9
207.06546	3.5
207.13783	44.1
208.14017	2.0
211.15460	3.2
225.07326	3.6
225.14828	25.7
267.06143	1.5
301.12286	1.9
343.13550	7.3
360.39984	1.1
369.19000	11.3
370.24277	1.5
387.12430	21.7
387.16245	21.0
387.26971	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	388.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33106	0.4
63.30708	0.4
64.94897	0.5
66.52821	0.4
70.06577	0.4
75.78228	0.4
79.05494	3.1
81.07049	2.6
84.04489	1.9
84.08125	0.5
85.02901	1.0
85.06525	0.5
86.09686	1.0
89.03910	12.3
91.05463	1.6
94.06540	0.5
95.04972	1.2
95.08594	0.5
102.86432	0.5
104.59499	0.4
105.07001	2.1
106.06563	0.6
107.04952	3.7
107.07307	1.4
107.08574	1.3
109.06512	0.5
114.05508	1.4
116.01678	1.4
117.03374	12.5
117.07001	0.6
119.08578	1.5
121.06458	0.5
121.10131	0.8
123.06792	6.3
124.07617	3.5
128.06244	0.4
130.04970	1.2
131.08572	1.8
133.10153	1.2
134.06009	1.6
135.04407	24.4
135.06741	1.5
136.04727	0.9
142.03198	0.6
142.04988	1.7
143.08556	1.1
145.02846	17.3
145.03915	0.7
145.10112	2.6
146.03261	0.6
147.11565	0.5
151.06276	3.4
152.07092	3.7
158.10852	0.5
161.09576	0.5
162.05498	7.0
163.03893	100.0
164.04195	3.5
168.06554	1.0
173.09618	1.5
173.13231	1.0
175.14833	1.3
180.06538	10.4
191.14296	4.3
198.07605	5.3
208.06030	13.0
209.06461	0.5
210.11230	3.3
226.07085	52.6
227.07425	1.8
231.13768	1.4
344.13989	0.7
388.15936	1.2
388.20294	0.5
389.18036	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
56.20734	1.2
65.03942	2.9
69.03421	4.5
69.35915	5.0
70.06580	1.6
72.08160	2.9
75.14569	1.2
78.27805	1.1
79.05486	5.3
81.03415	10.6
85.02903	3.8
89.06038	2.7
91.05473	5.2
93.03381	2.3
97.02875	6.0
105.06956	1.4
107.04951	3.6
109.02871	4.0
111.04451	1.6
117.03358	1.8
127.03910	5.4
133.08632	1.8
135.04442	1.6
138.07094	1.1
145.04993	1.8
151.03839	1.4
158.29359	1.1
158.59077	1.3
163.03888	4.3
178.02632	1.8
191.03365	100.0
192.03700	3.1
209.04431	1.7
231.57802	1.2
234.87862	1.3
335.07632	11.0
353.08600	5.2
388.17114	1.7
388.21844	1.6
389.14099	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	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
54.83994	0.6
54.99786	0.6
61.02941	0.8
63.82375	0.5
65.59158	0.6
69.03419	4.9
70.29587	0.5
73.02895	1.1
75.46173	0.5
77.03915	1.1
79.05486	5.2
81.03410	3.2
85.02898	9.0
87.00806	3.9
91.05472	0.7
95.04944	1.8
97.02892	5.6
99.04432	1.3
103.05465	2.8
105.01856	10.8
105.07021	100.0
106.07378	2.8
107.04950	0.8
108.04485	0.6
109.02882	2.6
119.08567	0.8
126.01076	0.7
127.03901	8.0
129.05540	0.8
137.05925	1.3
145.04945	6.9
159.02887	1.1
163.03911	1.1
171.07919	0.7
185.91370	0.6
189.04169	0.6
231.04944	3.3
236.06940	1.1
242.52167	0.6
249.06099	2.4
304.93118	0.5
316.46750	0.5
323.74680	0.6
339.09656	0.6
389.13327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01877	7.2
55.34924	1.2
57.03434	5.8
61.02918	5.2
63.47446	1.1
68.99786	3.4
69.03423	31.3
71.04983	4.1
71.75676	1.1
73.02904	6.6
78.57664	1.2
81.03416	23.4
85.02897	100.0
86.03275	1.4
87.00822	37.1
89.90504	1.3
91.03912	2.2
93.03358	1.2
97.02885	29.7
98.06065	1.3
99.04446	11.2
103.03925	1.2
105.01862	55.0
105.07036	10.5
108.04476	3.0
109.02872	26.0
117.01855	2.7
126.05515	2.2
127.03907	62.9
128.04208	1.9
129.01840	3.2
135.04472	1.8
145.04950	30.7
147.02931	3.0
159.02866	13.7
162.05495	1.7
163.03888	6.1
164.04214	2.0
181.04971	1.7
189.03883	2.3
213.03970	3.8
213.09155	1.3
229.79659	1.3
231.04985	20.4
248.07660	1.6
249.06090	7.6
265.12216	2.2
299.12808	2.1
334.14227	1.7
352.15549	3.5
370.16571	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	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97438	1.2
53.03931	4.5
55.01868	2.0
57.03436	6.0
59.04994	1.2
61.02917	1.5
69.03425	48.1
71.01344	2.0
71.04990	8.8
71.42060	1.4
73.02908	2.2
79.05466	2.1
81.03410	29.4
83.01324	2.6
85.02898	54.4
87.00821	29.6
87.04455	4.2
91.05452	1.7
91.50874	1.3
94.04173	1.7
97.02887	69.9
99.04449	24.5
101.02345	2.3
105.01855	22.2
105.07018	8.5
108.63191	1.2
109.02866	9.1
115.03923	2.3
122.03627	4.3
123.03977	3.2
127.03904	100.0
128.04240	2.9
137.05968	54.5
138.06293	28.5
145.04941	68.5
151.03880	5.9
159.02873	1.8
166.69098	1.2
167.07018	5.3
168.07411	2.9
171.02867	2.7
172.88889	1.4
173.05998	1.3
174.06345	1.8
177.05460	1.4
179.74503	1.3
181.04941	5.9
182.05313	5.0
197.88065	1.2
213.03862	2.8
221.64120	1.2
231.04977	66.9
232.05312	2.7
236.09944	2.1
237.07387	1.5
249.06027	22.3
277.88092	1.3
347.36838	1.3
358.13574	10.6
388.14673	20.4
389.11960	1.4
391.72418	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.5
55.01867	11.3
57.03429	5.3
58.60286	1.2
61.02918	5.9
65.03922	1.6
68.99781	3.4
69.03423	35.7
69.69106	3.9
71.04984	5.8
73.02905	8.6
81.03413	30.3
85.02898	100.0
87.00824	38.4
90.14729	1.2
91.03956	2.7
93.07043	1.5
95.05022	1.5
97.02880	43.2
98.06072	2.3
98.22717	1.4
99.04459	16.2
103.03964	1.9
103.05440	1.6
104.05774	1.4
105.01862	42.3
105.07028	1.4
108.04472	9.6
109.02874	31.7
115.05436	1.4
117.01857	4.2
117.87653	1.3
119.08553	2.7
122.03630	2.8
123.08027	3.0
126.05534	3.1
127.03906	77.3
128.04265	1.6
129.01837	5.5
131.04892	3.0
137.05966	22.4
138.06303	13.2
145.04939	38.5
147.02873	3.9
147.08035	7.8
148.05197	2.5
151.03871	8.0
151.04947	1.3
151.07527	1.2
152.04271	4.6
159.02882	27.4
159.08052	1.7
161.09558	2.0
163.07449	2.0
164.07867	2.1
167.07100	4.2
168.07355	2.0
181.04967	8.8
182.05359	6.9
189.03896	4.3
189.09093	4.8
191.07021	5.3
192.07318	7.2
209.06808	1.6
213.03891	2.4
213.09091	3.1
227.62898	1.3
230.06493	3.2
231.04974	13.7
231.10178	3.6
248.07635	4.6
249.06046	1.8
275.05600	1.2
297.47189	1.3
358.13437	2.9
388.14752	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	388.1753
Annotation	Preocoteine N-oxide
Peak:m/z	Relative Intensity
60.16475	2.2
62.06087	40.1
68.99745	2.4
71.42811	2.7
86.09691	2.4
105.06968	3.5
107.45968	2.3
126.95553	2.2
132.05637	3.5
135.04359	3.3
137.05951	3.9
157.06485	3.8
163.03871	3.1
171.08035	5.5
183.08014	12.6
185.09587	14.9
192.09381	2.8
197.05977	4.8
199.04161	3.5
201.09082	5.4
209.04494	5.2
211.07478	11.8
223.07593	3.2
224.08296	4.1
225.08449	2.3
227.10626	3.1
235.11192	5.5
239.07132	4.2
239.10648	7.3
241.08878	2.4
253.12286	9.4
257.11575	2.7
263.10699	10.2
267.10165	8.9
271.13449	3.4
281.11716	20.2
285.11343	5.0
291.10114	2.7
299.12772	100.0
300.13077	6.4
309.11270	8.8
327.12390	17.6
349.45096	2.6
354.12500	2.6
370.16583	15.1
388.17535	90.4
389.17776	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	388.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01867	2.3
55.05505	2.8
56.05011	1.5
57.03428	1.7
58.99588	3.4
65.10956	2.4
67.05502	5.9
68.05019	2.2
69.03400	3.8
69.38463	8.2
70.06576	2.2
74.82298	1.5
79.05489	11.9
79.11650	1.6
81.03417	2.6
81.07044	24.8
82.06580	1.7
84.04494	19.0
84.08112	8.4
85.02896	5.5
85.06538	3.0
86.06062	4.3
86.09701	7.7
89.03909	11.2
91.05480	7.1
93.07039	5.1
94.06564	4.7
95.04981	8.3
98.23472	2.3
99.04426	1.7
105.07031	6.3
107.04971	4.6
107.08598	3.3
114.05503	11.6
116.01652	7.0
117.03371	13.1
117.07033	3.4
119.08574	4.9
121.02846	6.3
121.06516	1.9
121.10143	1.9
123.06805	4.4
124.07609	3.8
127.03959	2.5
128.06232	2.7
129.07001	2.4
129.10223	4.5
130.04994	8.3
130.07776	1.9
130.08650	2.4
131.08554	7.8
133.06476	3.4
133.10146	3.3
134.05997	2.0
135.04416	20.0
135.06827	1.7
136.11229	2.6
137.05986	4.1
140.07085	4.1
141.04919	1.8
142.03217	5.6
142.04980	14.9
143.08549	5.3
144.01149	2.4
145.02850	20.5
145.10094	10.8
147.08018	1.8
147.11310	2.4
149.05867	1.8
149.09625	2.8
151.03873	1.7
151.06255	2.9
152.07097	3.8
157.10095	2.6
161.09702	3.9
162.02196	4.7
162.05482	5.6
163.03886	100.0
164.04251	4.8
164.10722	3.9
165.05466	1.7
167.07062	2.2
168.06560	6.4
168.10202	1.5
173.09601	8.3
173.13400	2.5
175.15108	1.6
177.05511	3.3
180.06516	11.6
182.08112	2.0
185.13211	3.8
191.10622	4.2
195.06531	1.9
195.11749	1.6
198.07602	6.4
203.14450	2.1
208.06030	14.3
210.11253	32.6
213.12604	1.9
215.04807	4.6
226.07071	55.1
226.09276	3.1
227.07387	3.1
227.12787	2.4
231.13794	6.5
248.09128	1.8
291.06470	4.4
313.12119	2.6
344.13742	1.8
388.15451	9.4
388.21106	6.4
389.14233	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	388.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05507	1.7
57.03426	1.9
59.05026	1.1
61.02920	2.4
67.05508	2.6
69.03426	6.6
69.07067	3.6
71.04990	2.2
74.24476	0.9
79.05483	1.6
81.03414	2.3
81.07051	3.4
83.04525	0.8
83.04992	3.5
85.02894	18.9
85.06568	1.0
86.09787	0.7
87.04462	1.0
91.03954	0.8
91.05479	2.7
93.07039	8.4
95.04951	1.4
95.08590	15.6
97.02866	4.7
97.06511	6.1
99.04486	1.5
99.08105	1.8
105.07020	7.2
107.08578	11.7
109.02869	1.6
109.06479	1.1
109.10165	5.2
111.08058	0.8
115.05506	1.1
115.07570	1.3
117.07008	1.0
119.08608	2.0
121.02856	4.9
121.06470	1.9
121.10150	12.1
123.08081	2.2
123.11722	1.1
125.09619	1.7
127.03929	3.8
131.08549	6.6
133.10114	100.0
134.10483	3.1
135.08104	4.1
135.11693	3.6
137.05954	10.5
138.06316	5.3
139.03922	1.0
139.11218	0.8
143.08525	1.9
145.04950	5.0
145.10127	4.0
147.04437	0.8
147.11639	3.7
149.09616	6.1
149.13231	5.7
151.03899	1.9
151.11171	22.9
153.09061	0.8
158.10861	5.5
163.03842	0.9
163.06087	1.4
163.14851	7.1
167.06981	4.4
168.07335	2.2
173.05957	1.0
173.13240	30.5
174.13623	1.3
181.04961	1.3
190.15860	1.2
191.14285	49.5
192.14680	2.8
209.15363	19.1
353.19431	1.0
358.13663	1.8
388.14954	4.1
396.23849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05507	1.7
57.03426	1.9
59.05026	1.1
61.02920	2.4
67.05508	2.6
69.03426	6.6
69.07067	3.6
71.04990	2.2
74.24476	0.9
79.05483	1.6
81.03414	2.3
81.07051	3.4
83.04525	0.8
83.04992	3.5
85.02894	18.9
85.06568	1.0
86.09787	0.7
87.04462	1.0
91.03954	0.8
91.05479	2.7
93.07039	8.4
95.04951	1.4
95.08590	15.6
97.02866	4.7
97.06511	6.1
99.04486	1.5
99.08105	1.8
105.07020	7.2
107.08578	11.7
109.02869	1.6
109.06479	1.1
109.10165	5.2
111.08058	0.8
115.05506	1.1
115.07570	1.3
117.07008	1.0
119.08608	2.0
121.02856	4.9
121.06470	1.9
121.10150	12.1
123.08081	2.2
123.11722	1.1
125.09619	1.7
127.03929	3.8
131.08549	6.6
133.10114	100.0
134.10483	3.1
135.08104	4.1
135.11693	3.6
137.05954	10.5
138.06316	5.3
139.03922	1.0
139.11218	0.8
143.08525	1.9
145.04950	5.0
145.10127	4.0
147.04437	0.8
147.11639	3.7
149.09616	6.1
149.13231	5.7
151.03899	1.9
151.11171	22.9
153.09061	0.8
158.10861	5.5
163.03842	0.9
163.06087	1.4
163.14851	7.1
167.06981	4.4
168.07335	2.2
173.05957	1.0
173.13240	30.5
174.13623	1.3
181.04961	1.3
190.15860	1.2
191.14285	49.5
192.14680	2.8
209.15363	19.1
353.19431	1.0
358.13663	1.8
388.14954	4.1
396.23849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41040	0.4
56.51889	0.5
60.42192	0.4
61.25421	0.4
63.07014	0.4
69.33297	1.1
69.33685	0.8
85.99792	0.3
98.22720	0.9
104.99260	100.0
105.99621	0.9
147.00276	0.7
155.76309	0.4
162.97638	1.0
164.93527	0.6
165.96751	0.4
178.38936	0.4
183.01158	0.5
191.02505	0.6
204.99283	0.4
208.43878	0.4
219.01974	0.6
221.01736	0.5
233.03572	0.4
247.00372	49.1
248.00517	2.9
263.02829	0.5
264.93124	0.6
268.98581	0.5
294.18658	0.5
306.92740	0.5
306.98105	0.5
307.01303	0.8
325.02222	4.1
329.02158	0.6
388.93231	0.5
389.10071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	17.3
68.99781	21.6
70.76792	9.3
74.83881	7.6
81.03371	14.0
97.02887	7.5
119.07229	6.5
121.02868	47.2
122.05965	6.6
123.46998	6.9
135.04398	15.5
137.05981	23.1
138.06366	9.3
149.02330	45.7
156.85519	7.6
163.03923	33.7
177.01822	100.0
196.71393	6.9
209.04440	95.1
246.46489	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	389.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18175	4.5
54.72860	4.2
55.01862	12.5
59.23660	4.8
63.21646	5.0
65.03912	6.7
67.05515	5.7
68.99781	18.5
69.07067	5.1
69.41386	5.0
70.06599	7.1
71.43767	5.8
81.03401	8.8
85.02895	14.5
95.04964	10.8
95.08617	5.1
105.07034	25.8
106.07361	17.2
107.04963	9.5
109.10143	5.2
121.02857	40.1
135.04384	7.8
136.03925	11.7
137.05945	13.3
139.03905	8.4
145.04961	4.8
149.02321	31.5
151.03990	6.6
163.03871	29.3
167.03336	6.1
171.60612	5.2
177.01843	69.0
177.05481	6.3
181.04955	9.9
188.07014	5.3
199.08672	15.8
209.04431	81.3
210.04996	5.2
212.09340	6.5
213.10226	15.8
214.07368	5.7
226.07306	7.2
227.08173	10.7
227.11690	11.0
227.16473	6.7
228.08836	8.4
234.24706	4.8
240.09039	6.8
241.05928	13.9
241.09735	43.5
245.13066	5.7
253.09834	5.7
255.11336	45.7
257.09149	8.2
265.09702	7.2
269.09158	14.2
273.12354	6.8
283.10745	48.6
295.10800	8.1
311.10284	17.4
313.11813	13.4
315.08926	5.6
329.11267	100.0
339.09732	10.1
357.10806	69.5
362.24896	5.7
389.13406	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	389.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28948	2.6
51.68039	2.7
55.01858	3.7
65.03931	4.1
65.44075	3.0
68.99778	15.1
69.06882	9.4
69.07311	12.5
73.56342	2.8
81.03378	6.6
84.04475	3.6
89.03873	6.3
91.05481	5.6
93.03459	3.1
98.22623	6.1
106.69022	2.6
107.04919	4.6
117.03357	8.2
118.25954	2.8
121.02860	32.9
123.04431	15.6
133.06418	3.5
135.04436	17.0
137.02344	48.0
137.03387	5.8
137.06027	3.1
139.03886	4.2
145.02834	9.5
147.04398	10.8
149.02325	65.8
153.05548	4.4
153.07002	6.1
161.05974	6.0
163.03905	49.6
163.05161	6.1
165.05551	3.0
165.06973	7.1
167.03424	6.0
167.90965	3.0
173.05981	2.9
175.03848	7.8
177.01808	57.6
177.05458	12.9
177.06883	3.4
181.05061	4.0
181.06482	16.0
184.05118	4.3
185.05891	3.6
187.03967	3.9
189.05447	8.3
191.03397	11.4
191.04897	3.6
193.04904	8.2
193.06467	4.7
195.02869	49.0
195.04480	5.4
199.07465	6.8
205.04877	4.4
206.37225	3.1
207.08032	3.5
208.05167	6.0
209.04425	34.8
209.06055	10.5
210.06673	3.5
211.07584	10.0
212.04750	4.9
213.05450	17.6
219.02832	3.7
220.05078	4.7
221.05936	14.3
223.07556	6.2
226.06206	6.5
227.07063	9.1
229.04895	3.8
234.07518	3.6
236.04715	32.5
237.05460	33.0
238.06168	7.3
239.07005	16.1
240.04257	5.5
241.04977	14.5
241.08528	3.8
249.05490	8.5
251.07404	20.7
253.04985	5.3
254.05800	4.6
255.06479	19.2
263.07236	4.1
264.04166	55.0
265.04895	29.5
266.05704	9.8
267.06497	12.7
268.03687	7.4
269.08127	10.7
271.05878	4.6
279.06589	100.0
279.09598	5.8
280.06921	5.3
281.08066	5.9
282.05203	17.0
283.05936	24.5
285.03854	3.3
287.09067	4.0
292.03613	17.5
293.04361	13.5
294.05139	5.9
295.05978	9.3
297.07565	68.0
297.10626	3.1
298.04623	4.6
307.05945	55.9
308.06433	3.8
309.07361	3.5
310.04681	11.9
311.05399	34.7
313.07086	6.3
315.08582	8.6
325.07059	78.1
326.07352	6.2
329.06516	17.9
339.05023	12.3
343.08029	25.9
357.05920	16.6
371.07468	7.3
389.17728	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	389.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20594	1.4
55.01857	5.6
65.03935	2.5
67.05478	2.0
69.03417	3.8
69.32271	4.8
69.32675	3.2
79.05491	3.0
81.03412	2.3
87.00797	1.6
95.04934	2.7
98.22682	3.1
101.45113	1.5
101.53167	1.5
105.07041	2.4
107.04967	9.0
119.08557	1.7
121.02860	11.4
135.04370	1.8
137.05939	9.8
138.06299	2.0
139.03777	1.5
144.95752	1.7
149.02338	2.5
156.82094	1.7
160.71358	1.5
163.03859	3.9
163.07504	1.8
167.07118	4.0
170.08513	1.8
175.14738	2.0
177.01840	6.2
181.04947	6.4
182.09653	2.2
183.11682	1.8
185.10774	2.9
189.09010	2.9
191.06990	1.5
198.07817	4.3
199.08667	13.2
209.04434	8.2
209.08145	2.7
209.10693	1.6
210.09032	2.3
211.08694	2.0
212.09410	5.0
213.06548	2.7
213.10219	16.3
214.07283	3.5
219.10074	4.6
226.07350	1.8
226.10890	2.1
227.08150	21.0
227.11719	8.0
227.13742	1.7
228.08911	7.0
229.09766	3.1
237.10075	3.8
239.08182	2.6
239.11621	1.6
240.08913	6.2
241.06177	10.1
241.09689	34.5
245.12813	5.7
255.07518	4.2
255.11243	36.5
257.09134	4.7
265.09729	3.1
267.11328	3.0
269.09155	11.9
270.09824	2.9
271.10681	1.6
273.12363	5.1
277.08505	2.3
283.10727	47.4
293.08725	1.9
295.10706	7.2
300.10995	2.2
301.08273	2.9
301.11710	6.6
311.10193	27.7
313.11679	10.0
329.11258	100.0
330.11450	7.5
339.09656	6.1
357.10742	62.1
358.11020	4.3
371.11755	2.2
389.13113	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24597	0.6
68.99801	0.9
69.03419	2.7
70.06599	0.8
70.59692	0.7
70.70441	1.3
71.48746	0.7
72.08147	2.1
81.03403	1.3
84.08130	2.1
86.09680	1.3
91.05431	0.7
98.97579	1.3
99.04543	0.7
107.04937	0.8
110.07153	1.2
121.02840	1.7
137.02313	3.1
149.02313	3.3
150.66130	0.7
151.97981	0.8
163.03896	3.6
167.03352	1.1
177.01849	3.3
177.05383	1.4
181.06534	1.1
184.41425	0.6
185.04184	6.6
185.05731	1.1
195.02885	3.1
203.05223	1.2
209.04414	2.6
209.06134	0.8
212.04523	0.8
213.05450	1.6
219.02953	0.8
226.06215	0.7
227.08919	2.7
236.04753	1.6
237.05505	2.1
241.04985	1.1
241.08418	0.9
245.09828	1.6
251.07149	0.8
255.06366	1.3
264.04175	3.3
265.04880	2.0
267.06424	1.0
279.06528	5.8
282.05051	1.0
283.06015	2.1
297.07495	3.6
307.05865	4.2
311.05405	3.8
325.06940	4.2
327.14029	4.1
329.11914	1.4
343.08124	1.5
357.06238	1.5
371.12781	1.1
371.17096	1.1
389.13995	100.0
389.17929	67.6
390.13919	8.1
390.18253	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	389.1568
Annotation	Flustramine A
Peak:m/z	Relative Intensity
65.03961	2.6
66.64104	2.2
69.03458	2.7
69.36407	4.1
69.36818	9.0
72.08147	22.3
79.05503	4.3
80.34231	2.3
81.03407	2.6
81.07064	4.6
82.07423	2.2
83.43685	2.7
85.02886	8.0
85.06575	2.9
86.09689	33.7
91.05492	11.3
93.77161	2.6
95.04974	3.9
96.08151	2.7
97.03350	2.7
98.97583	3.1
105.07040	7.3
107.04949	30.7
110.96078	2.7
119.08607	2.4
121.02881	17.5
121.10140	2.6
124.07572	7.2
129.07011	2.9
129.10199	4.3
133.06499	19.1
135.04430	5.7
139.03893	3.6
147.04283	2.8
147.08015	14.4
149.12366	3.4
151.03894	4.2
163.03905	11.0
164.04251	6.5
165.09102	5.8
172.92374	2.3
175.07503	13.7
187.14508	3.8
189.12318	3.1
193.08540	11.8
203.79391	2.5
209.11566	3.0
215.13765	2.4
226.07024	3.2
227.07384	3.7
227.12512	3.4
265.06940	2.7
327.87302	2.5
345.14987	2.9
389.15387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32619	0.7
55.14819	0.7
69.03445	1.0
70.06604	0.8
74.69348	0.7
78.07185	0.7
83.84478	0.8
84.01216	0.8
84.08120	1.2
93.53347	0.8
107.04953	1.3
110.07218	1.0
121.02819	1.1
126.61411	0.8
128.79929	0.8
135.04118	0.9
137.02345	0.9
138.43355	0.8
142.47528	0.8
145.02853	0.9
149.02330	1.9
163.03918	1.1
185.04195	1.5
195.03004	1.3
196.58824	0.8
203.05296	3.3
209.04387	1.2
209.11478	1.8
227.08900	1.4
273.09818	1.0
273.97668	1.0
289.01605	0.7
297.07672	1.2
325.06775	1.3
327.14331	1.1
371.16928	1.6
389.13885	25.6
389.17770	100.0
390.13748	1.6
390.18488	4.9
410.89316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1802
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03426	4.0
57.07055	3.0
61.10778	2.9
67.05506	22.7
69.42612	14.6
71.04991	14.2
79.05492	23.0
81.07053	6.0
83.04940	3.4
85.02855	3.7
85.06537	100.0
91.05486	16.0
93.07011	16.5
95.04948	9.9
99.08062	4.3
105.07020	14.2
107.04947	15.0
107.08584	22.9
109.06448	4.9
111.04450	9.3
117.07038	5.1
119.08566	15.3
121.06490	12.6
121.10146	19.7
125.05992	4.2
129.06998	7.2
131.08560	63.5
135.11696	4.6
137.05991	4.2
137.09576	4.5
145.10139	21.9
147.08008	6.5
149.09592	52.8
163.07513	3.2
163.11131	18.3
165.09073	13.6
167.10667	35.6
168.47668	3.4
173.09618	3.8
183.72496	3.2
186.10017	3.4
190.81670	3.0
191.10629	54.1
192.10818	3.0
200.67174	3.3
206.55513	3.7
207.44821	3.2
209.03958	22.2
209.11693	73.5
227.12764	58.1
246.74406	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	389.2168
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
58.31145	15.5
62.16615	17.6
64.85980	15.6
64.87904	14.7
64.97265	16.1
69.03400	22.9
69.77400	37.5
72.08144	18.6
74.12627	15.4
81.07065	29.5
83.04945	23.5
85.02885	63.2
86.09678	44.4
93.07052	26.5
95.04973	100.0
95.08605	27.0
97.02885	18.2
97.06541	33.3
98.23450	20.8
99.70380	16.0
103.05424	22.7
105.03371	61.5
105.07014	27.5
107.08611	34.1
109.06527	88.4
109.10151	21.8
119.08553	31.0
121.10104	24.8
131.04906	28.8
133.10112	53.9
147.11665	45.7
153.09062	57.5
171.10153	22.6
173.13248	49.7
177.48679	18.1
181.04985	20.9
191.14268	41.0
197.08125	19.4
202.86974	20.6
205.56166	20.5
209.15292	96.7
227.16318	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07283	12.7
55.05499	24.9
59.35233	12.4
61.45206	11.2
67.05491	48.1
68.39104	11.5
69.71314	24.5
69.71674	27.0
79.05459	30.4
81.07050	100.0
83.08587	16.1
88.57568	14.2
91.05434	31.7
91.76540	11.9
93.07030	86.0
95.08603	84.9
97.06490	14.4
98.23416	14.1
103.40176	13.4
105.07016	43.9
107.08595	78.4
109.06519	23.1
109.10146	62.6
119.08569	44.8
121.10110	43.1
123.08061	14.9
123.11694	44.9
125.92689	14.2
131.08571	18.4
133.10124	40.5
135.11670	35.8
141.35104	13.4
145.10155	31.8
147.11671	50.5
149.13254	38.5
151.11153	22.7
157.10068	14.6
159.11713	34.9
161.13232	17.0
163.14920	15.5
165.12814	13.3
187.14781	21.5
202.50197	14.4
307.14529	13.4
341.28680	15.6
353.28397	19.7
359.07468	13.3
359.29382	27.3
371.29694	23.0
389.30563	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02819	0.8
55.05498	3.7
66.96462	0.8
67.05475	1.5
69.03406	1.0
72.69762	0.8
73.02911	1.8
77.03934	1.3
79.05477	1.0
81.07050	1.0
83.08596	1.9
86.09692	1.9
87.04420	0.8
89.03902	7.3
91.05496	2.0
95.04965	5.9
100.11261	7.7
103.05457	1.4
105.03396	2.6
107.04960	4.6
111.04462	2.4
115.05449	0.9
117.03368	20.0
119.04927	2.9
119.08709	1.0
120.08057	3.9
121.06506	1.3
123.04435	7.9
127.03967	0.8
133.02818	7.4
134.03612	2.3
135.04384	2.4
137.05954	1.7
145.02832	48.4
146.03206	1.0
147.04402	2.4
148.05252	0.8
149.05966	9.4
151.03896	3.1
153.05472	0.8
160.05142	1.3
161.02379	2.6
163.03894	5.0
165.05463	6.6
175.07535	2.8
177.05453	100.0
178.05780	3.3
179.03375	14.2
182.15395	4.6
187.03925	1.3
193.04953	3.5
194.05704	15.0
195.06508	37.9
201.05354	1.6
205.04965	7.4
210.14894	3.4
229.04994	1.2
229.09947	1.0
246.16927	1.4
247.05971	7.0
261.87952	0.9
277.53140	0.9
293.51300	0.8
389.80942	1.8
390.18387	1.1
391.10257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55754	1.9
53.76296	1.8
56.04151	2.2
56.56933	2.4
62.81420	1.9
63.25324	2.4
63.95068	2.0
68.80936	2.3
69.17622	10.5
70.06605	2.2
85.02885	2.4
86.09710	4.6
91.05469	5.0
95.01286	3.4
95.04950	7.4
98.15243	2.5
98.22701	4.3
105.03384	100.0
123.04446	5.5
124.03950	6.6
126.01150	2.4
141.01819	4.3
143.42422	2.6
149.02342	3.6
163.03874	2.4
179.07014	30.5
197.08063	23.4
225.21899	2.2
275.32480	2.1
277.86041	2.3
355.96631	2.4
397.74487	2.1
406.70737	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	390.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18808	0.5
73.47417	0.5
75.04474	100.0
76.04837	0.6
76.20236	0.4
78.66853	0.5
98.23518	0.9
107.04934	0.7
123.04402	0.5
128.18384	0.5
132.04477	1.6
135.04381	0.6
143.74962	0.5
149.02357	0.6
150.05598	0.4
154.50832	0.5
162.05481	3.2
177.05470	0.5
182.08186	1.4
187.95772	0.5
190.05028	0.7
192.06540	22.5
193.06932	0.8
236.32350	0.6
254.08052	0.9
257.02548	0.5
266.08105	0.9
282.07660	1.6
294.07806	0.9
295.09558	1.0
300.08557	0.8
310.07135	4.3
311.07813	2.4
312.08563	0.6
315.10907	1.5
326.10184	11.9
326.13760	0.9
327.10706	1.1
330.13364	2.7
358.12820	31.0
359.13373	1.9
390.15659	0.8
390.27136	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	390.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37151	1.3
69.37527	1.2
73.60863	0.7
75.04479	100.0
76.04819	1.2
98.23439	1.6
121.06442	0.7
122.99981	0.7
132.04469	2.2
137.05978	0.9
149.02347	2.0
161.97974	0.7
162.05499	2.1
166.94817	0.7
182.08205	1.1
192.06548	26.6
193.06831	0.8
266.08099	0.7
282.07639	1.9
300.08765	1.5
310.07056	3.8
311.07788	2.2
315.11075	2.4
316.08020	0.9
326.10211	14.0
327.10629	1.1
330.13419	2.5
358.12848	33.7
359.13162	1.8
362.54559	0.7
367.98599	0.8
390.11774	3.7
390.16092	1.3
398.53665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.6
69.68672	20.0
69.69022	5.5
85.02902	9.9
85.06768	4.9
91.05481	7.6
91.10294	5.8
98.22784	7.7
103.05465	8.7
105.07003	49.4
107.04955	9.8
115.05430	9.4
133.06497	53.8
147.08298	6.0
154.60529	5.4
161.05968	100.0
193.08604	53.0
211.09708	17.3
213.48949	5.0
222.14479	5.6
276.12289	5.7
390.18112	16.3
391.15631	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	2.1
70.06585	4.1
71.08638	1.2
71.09335	1.9
88.07633	2.3
107.08125	1.2
116.43932	1.2
132.10194	1.4
149.02322	4.6
328.32074	3.9
329.32349	2.6
350.85507	1.3
390.35733	9.8
391.07440	1.6
391.24527	100.0
391.35776	13.4
392.24860	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	0.8
61.23187	0.9
62.64920	0.8
69.72469	2.7
69.72810	0.7
70.06573	1.2
76.39016	0.7
87.50941	0.8
98.22776	1.5
102.09160	0.9
104.00726	0.8
149.02319	3.1
268.91177	0.9
275.95200	1.0
284.29333	1.3
305.28882	0.9
328.31888	0.9
329.32397	1.4
345.14798	1.3
350.14337	1.3
351.77585	0.9
390.35916	5.0
391.13486	4.8
391.24509	100.0
391.35406	5.0
392.24762	7.0
401.76578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91581	1.0
70.50991	1.2
143.09673	1.0
147.70058	0.9
149.02277	5.1
234.11183	1.0
250.36366	1.2
323.70135	1.0
363.19446	1.3
391.24500	100.0
392.24921	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	391.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	18.5
57.07062	11.5
59.04977	3.8
59.52184	3.9
59.73549	3.9
65.03924	4.2
67.05492	17.0
69.03426	8.4
69.07041	12.0
70.06553	6.2
71.43221	4.7
77.58587	4.3
79.00372	3.3
79.05486	25.8
81.07053	45.9
83.04978	7.4
83.08593	4.6
91.05473	39.9
93.07031	44.0
94.23854	4.1
95.04959	47.2
95.08593	24.6
97.06509	5.5
103.05498	3.7
105.04516	5.9
105.07027	87.1
107.08596	29.3
109.06498	13.1
109.10175	8.3
115.05441	4.9
117.07030	18.7
119.08569	71.4
121.06532	9.8
121.10138	26.9
123.08070	8.3
125.09576	4.2
128.06184	11.6
129.06992	17.1
130.07780	10.2
131.08556	31.9
133.10106	20.8
135.08110	6.7
135.11671	4.7
141.06966	8.8
142.07773	22.7
143.08546	38.6
144.09369	8.8
145.10109	46.7
145.85953	3.6
147.08058	11.0
147.11696	13.7
149.02318	16.4
149.09608	4.9
155.08548	20.4
156.09288	12.8
157.10139	40.9
159.08011	10.4
159.11674	16.8
161.09581	10.5
165.06956	9.0
167.08530	10.4
168.09375	4.1
169.10120	27.5
170.10852	6.8
171.11664	22.8
172.12270	4.3
173.09602	7.8
173.13280	16.3
175.11102	5.7
177.03212	4.2
179.08572	10.7
180.09290	4.4
181.10144	21.2
182.10922	7.5
183.11633	23.6
184.12250	5.0
185.09676	5.0
185.13234	9.3
187.11122	8.1
191.14301	5.5
192.09389	4.8
193.10120	17.9
194.10847	6.5
195.11626	19.4
196.12323	7.6
197.09552	7.2
197.13200	15.9
198.42833	3.9
199.11124	8.2
201.09236	5.4
201.12627	5.1
204.09244	4.6
205.10197	5.2
206.10890	9.3
207.11681	22.3
208.12425	9.1
209.13231	17.7
211.11163	4.6
211.14769	11.2
219.11600	12.0
220.12378	5.1
221.13217	14.0
222.13991	8.7
223.14795	9.4
225.12784	8.7
225.16362	5.2
227.14357	6.1
231.11664	5.0
232.12444	4.2
233.13100	12.3
233.15219	9.2
234.13913	5.4
235.14842	10.8
237.16348	4.8
245.13123	4.3
247.14804	7.9
249.12749	5.4
249.16331	11.8
251.17648	5.5
257.13171	4.7
259.14896	4.2
261.16394	4.8
262.17062	4.2
263.17981	9.3
265.15775	3.7
267.17322	5.2
269.18869	5.6
273.05121	3.9
275.17902	5.8
279.17368	5.4
282.19791	8.0
297.18402	6.4
299.17883	5.3
307.20386	5.3
308.66122	3.8
317.19104	5.8
329.32318	5.8
331.13153	5.0
335.19983	9.6
373.25089	21.7
391.15436	25.4
391.26346	100.0
391.36102	27.2
392.26880	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	391.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.9
56.74450	3.9
57.07078	9.4
62.95933	3.7
67.05500	37.5
67.66154	3.8
69.07060	27.9
69.67638	17.5
71.08624	7.2
71.78332	3.7
79.05492	29.2
81.07051	90.7
81.88545	4.1
85.06527	24.5
88.89992	3.8
91.05466	35.3
93.07035	76.9
95.04961	12.1
95.08603	52.5
97.06525	10.4
97.10162	5.1
105.04519	6.9
105.07024	100.0
107.08588	58.5
109.06525	7.9
109.10144	26.8
111.08096	11.5
117.07017	6.1
119.08585	47.8
121.10118	24.8
123.08081	5.2
123.11691	13.4
126.27444	3.8
131.08568	16.6
133.10074	26.4
135.11717	25.0
139.11218	4.2
143.08556	7.0
145.10130	27.6
147.11693	28.5
149.02306	12.0
149.13269	14.1
155.20549	4.3
157.10141	6.7
159.11665	26.9
161.13242	36.0
171.11644	5.0
173.13237	21.0
175.14810	7.2
182.66971	4.3
187.14803	9.0
189.16455	5.3
199.14899	5.7
201.16312	5.7
203.18011	7.4
213.16432	7.4
295.24207	7.5
313.25232	5.8
331.26236	8.8
373.27298	5.2
391.28479	8.8
391.32962	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	392.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01873	1.0
57.03430	1.6
61.02916	0.8
63.02367	0.6
65.03927	0.4
68.92628	0.4
68.99786	1.0
69.03423	7.9
69.14688	2.3
70.06589	1.5
71.04979	0.8
72.98457	0.8
73.02917	1.1
81.03416	7.0
85.02898	15.0
86.09706	0.6
87.00812	4.0
90.03432	6.6
91.04199	0.4
95.04959	0.7
97.02893	3.8
99.00010	3.8
99.04459	2.8
103.03938	1.0
105.01887	2.7
105.72619	0.4
107.04951	1.0
109.02865	5.6
111.04424	0.7
120.08072	0.4
123.04425	0.8
126.01057	100.0
126.05543	2.1
127.01405	1.9
127.01851	1.6
127.03899	12.0
128.02632	1.1
129.01840	1.1
133.02826	1.5
135.04420	0.8
137.02319	1.2
137.05913	0.5
139.03920	1.1
144.02097	97.9
145.02522	2.1
145.04932	3.7
147.02933	0.6
149.02338	1.6
151.03900	1.0
159.02869	2.5
179.03360	3.2
186.03174	1.0
187.06085	1.0
195.02933	0.4
230.02150	0.5
231.05016	2.0
241.86746	0.4
270.05264	0.5
271.01843	0.4
288.06158	1.4
306.07394	4.1
374.06186	1.5
392.07367	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	392.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22895	1.0
53.03935	2.3
58.75624	1.0
61.33391	0.9
65.03942	1.7
67.05489	5.9
68.99774	5.3
70.06583	2.7
70.66395	1.2
77.03925	2.3
79.05470	2.0
81.03419	6.7
85.02908	4.3
86.09730	1.5
87.00825	2.5
93.03354	1.1
95.04965	9.3
97.02862	1.3
99.04488	1.3
105.03388	7.7
107.04951	11.4
109.02869	9.1
111.04459	7.7
121.02855	1.5
121.21024	1.1
123.04391	8.9
126.01036	12.8
127.03941	4.5
133.02835	32.0
134.03217	1.1
135.04410	4.8
137.02327	100.0
138.02702	1.3
139.03885	7.1
142.95251	1.1
144.02092	9.7
149.02307	5.1
151.03868	12.1
161.02299	6.8
163.03874	3.8
177.01796	1.5
179.03374	97.7
180.03731	2.6
181.04935	5.6
195.02937	3.2
197.04417	12.0
289.13986	2.9
291.49103	1.1
349.16205	1.4
392.09467	2.3
392.16071	3.3
393.15308	1.9
393.24628	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	392.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57565	0.7
53.03937	0.8
55.01872	1.5
55.27259	0.8
55.57716	0.7
56.70629	0.8
57.71912	0.7
65.03930	2.7
67.05498	3.8
68.99797	7.0
69.03429	1.9
70.06575	1.6
70.51022	1.1
71.63766	0.7
77.03909	2.3
79.05473	2.2
81.03407	7.1
83.04992	0.8
85.02891	1.5
87.00813	2.4
88.97706	0.8
90.69509	0.7
93.03389	2.0
95.04964	11.6
97.02883	0.8
105.03380	8.8
107.04942	12.8
109.02863	8.8
110.06017	1.8
111.04427	8.2
121.02849	1.0
121.81752	0.8
123.04414	10.1
126.01045	3.8
127.03874	2.6
133.02849	34.8
135.04410	1.7
137.02330	100.0
138.02660	2.3
139.03862	3.9
144.02138	4.1
149.02307	2.2
151.03909	10.4
151.05070	1.3
153.01802	1.4
155.78412	0.8
161.02338	5.5
163.03850	1.3
163.07516	2.0
167.03418	0.8
167.07027	5.9
179.03375	83.2
180.03719	3.6
181.04918	2.3
193.98315	0.9
195.10196	1.2
197.04453	11.0
213.11244	5.2
247.96411	0.8
289.14111	0.8
349.16208	0.9
392.09592	2.7
393.15009	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.9
53.03933	1.3
55.01883	1.4
58.11391	0.9
65.03935	2.8
67.05488	3.8
68.99783	6.1
69.03405	1.4
77.03914	1.9
79.05490	3.2
81.03395	5.8
83.04985	1.1
85.02882	2.2
87.00833	1.5
92.25746	0.9
93.03385	1.0
95.04965	12.3
95.67365	0.9
97.02858	1.6
103.05424	1.1
105.03384	7.9
105.07027	1.5
107.04948	26.8
108.05212	1.2
109.02874	8.6
111.04440	8.6
114.83073	1.0
121.02844	1.0
123.04427	7.0
127.03914	1.9
131.04961	0.9
133.02841	33.4
134.03293	0.8
135.04379	2.1
135.08043	3.8
137.02333	100.0
138.02663	3.6
139.03908	2.8
143.03134	1.6
147.04295	1.0
149.02310	3.1
150.02686	1.2
151.03885	8.0
161.02359	4.6
163.03917	1.7
163.07516	13.9
164.07899	1.0
167.07027	34.8
179.03383	75.3
180.03729	4.1
181.04956	2.4
195.02893	1.1
195.10123	8.8
197.04434	9.3
213.11197	33.1
222.44408	0.8
231.02863	1.1
341.97861	1.0
360.10544	4.2
392.13315	13.9
392.24194	1.9
393.24655	13.1
400.67471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.5
57.03412	1.5
57.31001	1.0
60.76710	1.0
61.02924	1.3
62.02517	0.9
69.03423	4.8
70.06610	1.2
71.43241	1.1
73.02924	1.3
79.05490	3.7
81.03412	3.7
82.39534	0.9
85.02882	9.0
91.05482	2.6
95.04972	2.9
97.02881	3.7
99.04444	1.5
99.96578	1.0
103.05467	4.5
105.07030	3.4
107.04946	39.3
107.05683	2.0
108.05305	1.1
109.02852	2.8
120.08059	1.5
121.06432	1.3
123.04428	3.6
124.05202	2.2
125.05913	1.1
126.01061	3.7
127.03898	4.9
127.07569	1.1
131.04924	2.2
132.08073	2.1
135.08018	11.9
144.02126	2.9
144.08073	1.2
145.04926	2.3
145.07582	1.7
146.05983	2.9
148.58864	1.0
149.02260	2.4
163.07529	29.5
165.01741	1.3
165.05479	2.3
167.07027	86.2
168.07379	2.8
180.07774	1.8
181.08577	1.4
188.07082	3.1
193.01326	3.8
194.01601	1.6
195.10164	22.7
213.11203	100.0
214.11505	5.0
231.11334	2.0
298.07123	1.1
392.20856	1.2
393.07947	5.8
393.20834	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01861	2.9
55.05499	2.5
57.03433	1.5
61.02909	1.3
65.03934	3.0
66.08800	0.8
67.05500	100.0
67.30051	0.8
68.05835	1.7
69.03420	8.9
69.07088	1.0
71.04971	1.5
72.08189	0.8
73.02907	1.7
79.05499	2.1
81.03416	7.8
81.07049	8.0
82.64235	0.9
85.02896	30.6
85.03413	1.6
87.00294	1.2
87.00815	14.7
91.05470	1.4
95.08614	1.1
97.02880	11.9
99.04453	4.4
105.01859	23.9
105.07050	1.2
107.08588	2.2
109.02881	9.1
109.10146	44.8
117.01894	1.3
120.08104	1.6
121.10114	1.0
127.03908	22.0
129.01842	1.4
133.10049	0.9
134.45476	0.9
145.04953	10.8
149.02298	1.2
150.02679	1.2
159.02902	3.7
167.39078	0.8
189.03931	1.1
231.04959	6.9
249.06007	2.6
257.63306	1.1
356.17572	0.9
400.30829	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	100.0
58.07391	0.9
69.97712	2.0
70.06556	0.9
79.28471	0.8
80.77843	0.8
102.09174	4.1
104.76684	1.0
109.49474	0.9
123.05539	3.4
207.11246	19.1
208.11476	1.2
224.13921	13.6
240.75555	0.8
290.18484	3.0
308.19656	65.4
309.19955	4.2
374.24347	45.7
375.24686	3.5
392.25388	30.5
392.36218	1.2
393.26010	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	392.9062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16412	0.8
69.92278	2.4
71.21507	0.7
84.47072	0.7
134.35840	0.7
136.94014	100.0
137.94336	0.7
148.14258	0.7
171.60803	0.8
177.84805	0.7
201.94405	0.8
244.94977	0.8
294.92926	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.2
55.01868	6.3
55.05493	0.9
57.03434	4.2
61.02921	7.6
67.01855	1.6
67.05486	1.4
67.11859	0.6
68.99784	7.4
69.03425	37.3
69.60458	2.9
71.01334	1.7
71.04985	7.7
73.02900	2.8
81.03411	75.4
82.03733	0.7
83.01343	1.5
85.02897	60.0
87.00825	18.5
87.01255	0.4
92.13561	0.6
94.51324	0.8
95.04962	2.7
97.02885	24.7
98.23517	0.7
99.04444	31.4
101.02370	1.0
103.03931	18.0
105.01852	8.0
109.02869	67.3
115.03941	0.9
120.08104	0.9
122.07166	0.8
123.04456	1.6
123.42279	0.6
127.03903	100.0
128.04214	1.8
129.01822	10.2
132.63824	0.6
145.04941	10.0
147.02864	8.2
151.03862	1.1
153.01810	1.5
157.41748	0.6
159.02861	3.8
163.06079	0.8
169.04990	5.7
171.02936	1.0
187.02426	1.1
187.06032	6.2
195.02747	0.7
198.18040	0.7
213.03920	9.2
231.04967	16.5
233.05753	0.7
249.05852	0.8
255.04939	1.7
256.81100	0.6
262.48981	0.9
271.08051	0.9
273.06009	4.2
291.07190	3.6
339.07040	1.3
350.27020	0.7
357.07990	2.0
393.18781	16.0
394.19061	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.0
53.56634	0.5
55.01870	6.6
55.05505	0.6
57.03427	4.7
60.60870	0.5
61.02923	6.7
62.82064	0.5
63.48831	0.5
67.01855	1.8
67.05481	1.4
68.99786	8.1
69.03423	38.1
69.11467	2.9
69.34752	0.4
70.03741	0.6
71.01342	1.7
71.04984	8.9
71.74984	0.4
73.02918	3.7
81.03410	77.5
82.03735	0.9
83.01341	1.0
83.04971	0.9
85.02896	62.6
86.03227	0.6
87.00822	19.1
87.04481	0.6
95.04958	2.7
97.02882	24.7
98.03252	0.4
98.22734	1.0
99.00823	0.7
99.04449	33.8
100.04742	0.5
101.02347	1.3
103.03930	16.2
103.04617	0.9
105.01859	8.4
109.02869	74.4
110.03197	1.3
115.03916	1.0
117.01854	0.7
118.74150	0.4
119.08556	0.6
121.02849	0.5
123.04386	1.4
127.03902	100.0
128.04211	2.0
129.01825	11.5
139.03842	0.6
145.04947	9.8
146.33932	0.5
147.02861	7.4
151.03891	0.6
153.01811	1.5
159.02850	4.6
163.05946	0.8
169.04935	5.7
171.02924	0.8
187.06017	7.8
189.03889	0.5
195.03001	0.6
205.07127	0.6
213.03949	6.8
231.04970	19.4
232.05286	0.5
249.05873	0.5
253.07054	0.6
255.04979	2.5
273.06064	5.3
283.64368	0.5
291.07050	3.4
302.76633	0.4
326.01730	0.5
339.07010	0.9
346.07690	0.5
357.08084	2.1
375.09073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
65.15948	0.5
68.49146	0.5
69.03418	0.9
70.75386	0.8
81.03413	1.8
84.04497	0.6
85.02883	2.6
87.00809	0.7
97.02892	1.8
98.23329	0.6
99.04459	1.2
103.03930	0.9
105.07020	0.9
105.79718	0.5
109.02867	1.7
109.10168	0.6
120.08136	0.6
126.35898	0.6
127.03889	3.4
135.65421	0.5
145.12233	2.3
179.03325	1.1
180.03819	0.8
234.12234	0.6
271.04309	1.9
276.99237	0.5
307.11578	4.5
331.11346	1.0
349.12518	29.5
350.12894	2.4
356.07968	0.6
393.11511	100.0
394.11920	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47896	0.8
53.03935	1.1
57.03397	1.2
63.69584	1.0
64.03840	1.0
67.05474	1.8
67.95156	1.0
68.99770	1.8
71.41257	1.3
72.92420	0.9
72.96253	1.0
76.39953	0.9
79.05470	3.0
79.70922	1.1
81.03408	1.9
81.07041	2.1
85.02868	1.1
91.05461	4.5
93.07042	3.3
95.04964	4.7
95.08605	1.4
99.04452	1.4
105.03397	2.0
105.07024	5.4
107.04934	4.5
107.08553	1.7
108.05271	1.5
109.02872	3.0
111.04413	4.0
117.07010	2.4
119.08549	1.4
123.04404	3.0
126.01022	1.4
127.00011	8.6
127.03922	2.2
128.00783	1.6
131.08566	3.4
133.02821	7.8
133.06480	4.5
134.03149	2.6
135.04350	1.8
137.02330	17.3
137.05977	1.5
138.02673	8.5
139.03897	4.3
143.08488	1.8
145.02823	1.4
145.10104	3.3
151.03886	2.3
155.08501	1.5
162.02695	1.3
163.03870	11.7
173.09627	1.5
179.03368	16.6
180.03697	11.0
181.04955	8.7
197.04463	1.1
233.11542	1.1
234.90785	1.1
254.95660	1.1
271.13019	12.7
277.14188	1.6
289.14038	25.2
307.15106	6.6
331.15103	11.5
349.16187	16.7
375.14111	17.6
393.15274	37.2
393.24643	100.0
394.15598	2.1
394.24875	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	393.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37820	0.6
51.95910	0.7
53.45248	0.6
54.14775	0.6
55.01861	2.5
65.03932	2.4
67.05478	1.2
69.29195	3.8
70.47741	0.7
73.02914	26.7
91.05470	3.7
93.03384	2.1
93.69481	0.6
95.04962	2.0
95.77240	0.8
108.02090	1.1
110.03642	5.4
111.04454	3.5
119.04944	3.6
123.04459	0.9
125.05986	36.2
125.92954	0.7
126.06348	0.8
137.05986	4.6
139.07549	1.0
141.05482	1.9
141.22360	0.7
147.04411	2.8
149.05975	3.1
151.03903	100.0
151.05003	9.4
151.07431	3.3
152.04274	2.9
161.05988	1.3
179.07021	23.8
195.02850	0.9
197.08084	50.7
198.08417	2.5
211.45493	0.7
233.37050	0.8
253.08774	0.9
258.33331	0.7
266.18369	5.5
273.11188	0.8
325.10593	0.8
345.13254	0.7
385.63245	0.7
393.15411	1.6
394.23080	26.3
403.93933	0.6
418.84592	0.8
419.68134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72613	0.7
55.01863	2.2
62.28197	0.7
65.03935	2.7
67.05505	1.2
69.15576	1.2
69.15978	3.2
70.62479	0.9
73.02916	28.9
85.02921	1.0
91.05473	3.4
93.03405	1.8
95.04952	2.6
108.02089	1.3
110.03661	4.3
111.04444	4.5
119.04916	3.6
123.04452	0.9
125.05984	37.2
136.01578	1.2
137.02315	1.4
137.05969	6.2
139.03944	1.1
141.05482	1.4
147.04417	2.0
149.02362	0.9
149.05931	5.3
151.03905	100.0
151.05009	9.4
151.07411	3.7
152.04268	3.1
163.03873	1.0
179.03339	1.0
179.07031	24.5
181.04930	1.6
197.08084	46.0
198.08476	0.7
253.08575	1.0
393.07928	2.7
393.13049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60972	0.7
53.03939	1.0
54.90717	0.7
54.93327	0.7
55.57376	0.7
69.03410	2.3
70.06591	1.6
71.44001	1.1
72.04514	5.3
72.08153	2.5
79.05488	0.9
81.03418	3.3
84.04501	1.0
85.02892	6.3
86.09688	1.1
87.00824	1.8
87.04462	12.5
91.05473	1.9
95.05008	0.8
99.04454	4.2
100.03972	1.9
103.03930	2.7
105.07043	0.8
109.02871	5.3
115.05460	2.3
117.05736	2.3
117.07007	1.9
118.05032	10.2
118.06528	26.3
120.08115	3.3
127.03913	7.1
130.06491	4.6
132.08076	39.1
133.08386	0.9
137.05940	1.9
138.68991	0.8
140.87180	0.9
142.06500	1.8
143.07306	3.7
144.04405	1.0
144.08076	27.1
145.08456	0.9
146.05991	78.3
147.06345	1.9
149.02362	0.9
156.08008	1.4
158.09637	5.3
160.07576	1.9
168.07907	0.9
170.05978	5.8
185.10686	1.3
188.07048	100.0
189.07433	4.8
203.11737	1.1
206.10265	3.5
214.11646	1.1
216.08783	7.7
225.06416	1.0
226.07191	1.3
230.10469	1.3
231.11255	37.9
232.11508	1.9
240.08763	3.5
240.40041	0.8
244.08139	2.0
249.12389	3.6
262.09140	4.5
300.10889	3.2
347.15921	4.4
361.12405	0.9
393.16443	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	393.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03072	10.5
52.33614	9.3
55.38090	8.0
67.05492	47.6
69.03431	26.4
69.26902	46.1
70.06567	20.7
81.03406	11.3
85.02898	48.1
87.00819	19.7
87.97982	11.3
97.02854	14.2
98.23474	18.7
101.13657	9.4
102.45270	8.2
105.01856	14.4
109.02862	17.8
109.10168	31.2
109.98017	9.2
111.36427	8.7
127.03910	25.6
145.04971	10.7
148.88367	10.8
185.07079	19.9
213.06589	25.2
216.08829	87.5
217.08978	11.2
218.70021	10.2
240.08817	48.0
259.08273	11.7
298.94650	11.2
300.10922	45.4
393.10977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	71.2
68.95181	14.4
69.03428	61.5
69.33234	81.0
70.06590	26.5
81.03416	80.3
85.02903	99.2
87.00833	46.6
87.98502	15.3
97.02892	32.3
99.04462	42.2
105.01875	46.8
109.02879	62.4
109.10175	31.2
127.03900	100.0
129.01740	15.5
151.03931	32.8
157.97066	15.8
170.48534	16.2
188.08160	22.8
259.08282	54.4
300.10614	16.2
322.97256	14.2
342.03656	18.5
393.07755	45.8
393.14026	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	1.7
67.05470	1.8
71.42562	2.3
79.05472	1.6
80.94864	1.8
185.47809	1.5
284.19373	1.6
393.26068	100.0
394.26401	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	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01852	3.4
55.05506	23.4
57.07064	10.7
59.04982	2.9
60.29073	2.2
65.03934	6.9
67.05498	33.0
69.03413	3.2
69.07059	21.6
71.08632	5.6
71.42686	2.4
77.03893	2.3
79.05492	40.9
81.07049	58.5
83.04969	6.5
83.08599	8.4
85.06525	3.7
89.06001	2.8
91.05472	61.1
92.05825	3.1
93.07037	81.9
94.07350	2.4
94.33529	2.1
95.04961	63.9
95.08598	56.8
97.06516	8.2
98.98438	3.7
103.05488	4.6
105.04494	5.4
105.07021	100.0
106.07328	4.3
107.07915	4.5
107.08585	48.7
109.06513	15.4
109.10149	24.4
111.08050	4.4
115.05450	6.9
116.06205	3.1
117.07005	27.8
119.06109	2.7
119.08570	92.8
119.09421	4.8
120.08849	4.5
121.06515	20.1
121.10146	35.0
123.08063	5.4
123.11712	8.7
125.09698	2.5
128.06160	14.5
129.07010	17.6
130.07780	10.5
131.08554	37.3
133.10121	49.4
134.10442	2.6
135.08066	8.3
135.11702	19.2
141.06947	6.4
142.07779	20.3
143.08554	31.2
144.09306	9.8
145.06512	4.1
145.10110	70.8
146.10493	7.2
147.08058	3.6
147.11653	17.5
149.09663	3.5
149.13269	3.0
153.06987	3.1
154.07753	3.5
155.01012	5.7
155.08524	15.7
156.09352	15.1
157.10109	47.4
158.10628	3.2
159.08023	5.7
159.11670	46.0
160.12106	5.0
161.09621	14.1
161.13263	8.6
163.11166	5.7
163.14757	3.9
165.06946	3.0
165.12674	2.4
167.08563	5.8
168.09285	7.4
169.10139	20.6
170.10855	7.8
171.11624	26.5
172.12331	4.8
173.09598	2.9
173.13245	23.9
175.11136	7.8
175.14828	16.9
179.08601	7.4
180.09296	5.0
181.10095	10.2
182.10814	6.4
183.11667	14.1
184.12166	4.1
185.13257	9.1
186.13655	2.9
187.11206	5.8
187.14777	10.1
193.10136	7.6
194.10852	5.0
195.11708	10.8
196.12358	2.8
197.13217	14.8
198.13924	3.6
199.11189	4.5
199.14738	6.3
201.12698	6.1
201.16379	9.6
205.10199	3.5
207.11618	7.7
208.12308	3.4
209.13240	10.3
210.13753	2.5
211.14781	10.8
213.16394	4.5
219.11617	3.2
219.17459	3.3
220.12430	5.3
221.13243	3.8
223.14742	8.3
225.16383	4.8
235.14729	7.4
237.16415	2.8
243.36848	2.4
253.15869	4.7
263.17929	3.7
265.19708	3.2
319.20993	3.0
393.27487	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	393.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.0
54.14662	4.8
55.05494	19.6
55.39955	4.9
57.07071	27.0
65.03945	7.9
65.37982	5.1
67.05495	34.4
69.07058	23.8
69.24830	19.5
69.25246	9.2
71.08643	11.5
79.05489	40.8
81.07049	61.8
83.08601	11.4
85.10192	8.2
89.06021	29.2
91.05466	63.6
93.07030	82.4
95.04954	63.6
95.08589	59.8
97.06516	14.4
98.98434	9.8
103.05459	9.3
105.07024	94.9
107.08581	56.1
109.06496	17.2
109.10144	24.6
115.05413	6.6
116.06246	6.3
117.06997	28.4
119.08560	100.0
121.06483	24.8
121.10127	37.9
123.08060	8.5
128.06248	12.7
129.06958	22.1
130.07721	8.5
131.08537	46.2
133.08574	14.2
133.10098	60.0
135.11655	22.6
137.09538	5.6
141.07008	6.7
142.07739	29.0
143.08577	39.1
144.09215	6.4
145.10106	80.7
146.07242	6.5
147.11653	23.5
149.09578	5.9
152.62798	5.2
154.07562	5.5
155.01048	10.3
155.08521	16.1
156.09341	15.8
157.10107	67.0
158.10709	5.6
159.08122	6.6
159.11690	40.4
161.09566	16.7
161.13219	10.0
165.06978	7.3
169.10089	21.2
171.11647	26.0
173.09560	7.7
173.13248	20.7
175.11197	12.2
175.14810	19.3
179.08607	6.9
181.10030	12.8
182.10823	7.0
183.11633	18.2
185.13255	14.4
187.11150	6.9
187.14764	10.5
195.12061	25.2
197.13187	13.3
199.14796	11.5
201.16388	9.0
206.78737	6.0
209.13165	14.7
211.14771	11.1
223.14767	8.0
249.16319	6.9
306.01990	5.8
393.27634	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	393.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01368	4.9
53.03932	9.5
55.05495	18.4
57.07048	14.5
61.84733	4.6
67.05492	36.5
69.07053	17.1
71.08608	8.4
79.05488	38.9
81.07054	62.7
83.08585	7.2
85.10177	7.2
86.71452	4.6
89.06011	15.9
91.05475	50.4
93.07034	67.4
95.04955	48.3
95.08600	71.3
97.06496	5.6
98.22711	12.3
105.07014	74.1
107.08572	49.4
109.06476	11.0
109.10126	23.8
117.06977	18.5
117.70473	4.2
119.08572	100.0
121.06531	21.5
121.07222	3.9
121.10139	35.0
123.08054	5.4
123.11660	12.8
124.21342	4.4
128.06174	7.7
128.92964	4.7
129.06992	13.8
130.07774	4.6
131.08559	31.6
133.08601	5.2
133.10112	41.4
135.11655	17.3
137.07230	4.7
141.06929	5.5
142.07750	20.7
143.08539	30.0
144.09291	7.4
145.10097	62.1
147.11668	16.5
149.13239	8.9
155.08525	15.4
156.09317	10.0
157.10107	44.8
158.10860	8.5
159.08015	4.6
159.11684	46.3
161.09607	7.9
161.13232	9.7
163.14832	7.2
167.08577	6.2
168.09288	7.2
169.10117	19.9
170.10800	5.9
171.11662	17.9
173.13228	16.3
175.11191	7.0
175.14832	14.2
179.08536	7.9
181.10109	6.4
183.11629	14.7
185.13232	13.3
187.14812	18.5
193.09966	6.5
194.10805	5.2
195.12083	15.8
197.13177	9.5
199.14923	10.2
201.16418	9.0
209.13234	10.1
211.14749	9.5
213.16379	7.7
215.17949	6.6
221.12979	6.1
225.16373	4.8
235.14650	10.5
241.19492	6.9
255.21031	5.9
271.02728	4.5
298.89627	4.8
305.84302	5.4
332.83719	4.6
383.89297	4.4
393.27823	17.8
393.35059	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73690	3.5
57.97400	3.3
60.30983	3.0
70.67158	5.2
79.88094	3.3
85.02894	6.0
91.05471	7.4
91.22746	2.8
92.75253	3.0
93.29199	3.0
98.97588	9.9
103.96915	2.9
107.18755	3.2
113.05474	3.7
119.04918	22.4
137.05966	100.0
138.06293	4.4
143.37654	3.3
147.04410	44.3
179.07021	57.6
181.04782	3.8
186.83080	3.3
197.08107	5.0
205.01617	3.4
216.98804	5.5
258.99747	4.8
298.68878	3.9
308.00510	4.6
312.07819	3.5
365.03778	6.6
370.99289	4.5
395.07886	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	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	5.7
58.81984	6.1
68.79510	5.6
69.03440	11.4
69.29267	24.3
69.29677	11.9
70.06593	7.8
71.01268	5.7
79.05501	8.2
84.08170	6.1
85.02895	11.4
91.05481	22.0
98.97589	15.2
107.04930	8.9
109.91518	6.1
119.04929	56.9
120.08139	8.7
133.02805	9.4
135.04375	19.8
137.05965	47.5
139.03902	6.9
145.19153	6.4
147.04402	78.4
151.07562	6.8
155.63075	6.2
162.04103	10.7
163.03908	22.7
167.07065	27.6
172.38792	7.2
179.03481	9.2
179.06998	100.0
181.95540	6.2
249.72255	6.1
263.08887	10.9
395.13269	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	394.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31876	1.4
53.03947	7.8
55.01865	10.4
55.05500	5.1
56.77791	1.8
57.03428	6.9
61.02914	6.2
66.92251	1.3
67.05479	2.5
68.99802	2.4
69.03429	38.7
69.07065	62.9
71.04984	6.8
73.02916	9.4
81.03414	31.3
81.07034	2.3
83.08598	4.1
85.02900	100.0
87.00286	2.0
87.00819	39.6
91.03918	2.3
93.07047	3.7
95.04973	3.4
95.08603	2.9
97.02887	35.8
99.04452	17.5
105.01862	42.7
105.07003	3.8
107.08582	3.7
108.04456	3.0
109.02869	36.1
109.03550	2.9
109.10156	4.5
111.11715	27.6
113.09643	6.5
115.03909	2.9
117.01866	3.1
119.08567	1.6
121.10125	3.0
123.11665	2.3
127.03905	68.4
127.11186	2.2
128.04288	2.0
129.01810	5.3
129.12750	37.1
135.11674	3.3
137.06015	1.9
139.11102	3.5
145.04944	32.4
147.02922	3.2
153.12811	1.9
158.34477	1.5
159.02878	22.0
189.03947	3.3
198.95241	1.7
213.03967	2.0
219.05066	2.6
219.13731	2.9
229.43411	1.6
231.04965	11.6
237.14848	4.8
276.89920	1.6
323.14987	2.7
375.18011	1.7
405.61322	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01873	7.0
55.05513	8.8
57.03440	4.9
57.07084	1.1
60.04509	1.0
61.02921	5.1
67.05507	1.7
68.99783	3.3
69.03424	41.4
69.03802	2.0
69.06241	3.8
69.06670	2.7
69.07068	44.3
71.04992	4.4
73.02918	6.4
79.05502	1.0
79.41528	0.8
81.03413	23.1
83.08605	1.0
85.02901	100.0
87.00827	47.9
87.01382	0.9
91.03978	1.3
97.02888	37.1
98.23450	1.6
99.04446	12.8
103.03962	0.9
105.01860	78.2
106.52540	0.8
107.08618	1.6
108.04501	2.4
109.02872	24.0
109.10129	1.0
111.11722	6.9
115.03925	1.5
117.01871	2.8
126.05534	1.9
127.03909	73.4
128.04277	2.1
129.01868	2.9
138.48906	0.8
145.04951	39.9
147.02887	2.6
159.02873	12.0
177.03944	0.9
182.78262	1.0
189.03957	3.9
201.63205	0.8
213.03925	2.5
231.04987	22.9
237.14879	1.6
248.11949	1.0
249.06023	6.8
348.24796	0.9
363.39200	0.9
364.27887	0.9
399.23062	0.8
406.02603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
55.01871	11.2
55.05504	12.2
57.03432	4.9
57.07083	2.3
61.02924	8.6
67.05499	8.8
68.99808	4.1
69.03426	37.7
69.03795	2.0
69.07063	65.8
70.06570	3.1
71.05002	7.8
73.02906	7.0
79.05492	6.8
81.03411	29.7
81.07047	21.9
83.04958	4.6
83.08617	5.8
85.02901	100.0
85.06543	9.2
87.00827	35.2
91.05488	9.1
93.07055	10.5
95.04984	3.6
95.08598	27.8
97.02889	29.0
97.06530	5.1
99.04444	13.9
99.08101	5.2
105.01852	40.2
105.07035	12.9
107.08601	8.6
109.02879	24.9
109.06521	4.8
109.10130	5.1
111.04409	2.4
111.08101	10.0
111.11694	16.2
115.03947	2.3
117.07021	2.7
119.08562	17.9
121.06509	3.8
121.10157	7.6
123.08075	2.9
123.11671	2.9
125.09673	3.1
127.03910	49.1
127.11185	6.1
129.01836	2.9
129.12741	11.0
131.08563	5.4
133.10138	10.3
134.91649	2.4
135.08022	2.8
135.11723	9.4
137.09570	3.4
137.13252	5.6
139.07539	4.0
139.11134	5.0
141.09079	3.5
141.12775	6.2
143.08549	3.7
145.04929	21.3
145.10133	3.9
147.02876	2.4
147.11662	3.5
149.13152	2.2
157.10164	2.2
159.02850	12.2
159.11673	5.5
161.09651	3.9
161.13246	29.8
163.11188	2.9
169.12123	2.4
171.03067	2.2
173.13202	3.0
175.11180	2.3
177.12700	2.5
179.10678	6.9
179.14310	39.8
187.11133	3.1
191.14209	2.2
197.15347	17.3
201.12840	4.4
203.05200	2.6
215.16438	2.4
219.13831	7.6
221.89194	2.5
231.04994	9.4
237.14894	6.5
244.22678	4.8
297.17062	5.6
315.90747	2.0
323.14908	17.1
341.15961	5.0
391.54321	2.3
394.19144	7.0
394.31631	9.5
395.16217	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	394.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01868	6.1
55.05510	15.8
57.03436	5.2
57.07056	2.9
63.75275	2.8
67.05494	18.3
69.03423	18.1
69.07066	27.7
71.04970	8.6
79.05485	7.4
81.03397	12.0
81.07053	51.1
83.04964	5.1
83.08611	10.6
85.02895	51.2
85.06520	9.9
87.00818	11.9
91.05469	12.6
93.07030	16.3
95.08599	67.4
97.02905	13.9
97.06526	14.7
97.10140	5.7
99.08061	5.3
105.01855	14.7
105.07027	22.5
107.08574	7.6
109.02869	10.3
109.06519	3.5
109.10136	5.4
111.08054	5.8
111.11707	5.4
117.06960	3.9
119.08587	32.9
121.10137	11.2
123.08054	6.3
127.03920	20.5
133.10118	20.2
133.52657	2.7
135.11673	15.6
137.09595	5.7
137.13229	17.1
139.43507	3.3
145.04926	8.9
145.10161	3.7
159.02864	4.6
160.55148	2.7
161.13243	83.3
162.13522	3.1
179.14293	100.0
180.14607	5.3
197.15343	37.3
215.16458	6.7
244.22667	4.4
323.14688	5.2
394.31177	6.5
395.10828	5.3
408.08386	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	394.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25317	2.9
57.07071	88.8
69.07064	4.1
69.37704	11.8
71.08626	80.4
83.08601	3.3
85.10168	45.9
89.06020	100.0
91.58298	3.2
99.11723	8.3
107.07071	6.6
110.13541	2.9
110.66801	2.8
113.13252	5.2
116.45048	3.4
117.06992	3.1
124.62267	3.0
133.08594	33.5
151.09706	3.3
157.83014	2.8
177.11201	12.7
187.50340	2.9
195.12256	55.7
280.04663	2.9
377.32568	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	395.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23739	7.2
51.22902	5.3
54.18203	6.1
55.39180	4.9
56.96566	6.3
65.03944	6.0
66.99155	6.3
69.03414	9.6
70.06581	8.3
76.16601	6.3
81.03391	8.8
81.76713	5.6
85.02894	8.4
86.09691	10.0
91.05453	16.0
93.03374	10.7
97.48528	5.5
98.97576	14.8
105.07023	7.2
107.04956	18.3
107.08654	6.5
110.97581	7.1
111.04433	36.3
116.98631	8.0
119.04903	11.5
121.02834	6.1
127.03931	6.4
128.00774	16.2
129.01118	14.5
135.04390	49.6
139.03906	75.9
146.01787	19.1
147.02115	7.7
147.04428	48.0
153.05479	16.8
157.06752	5.6
157.10062	9.3
159.11731	8.4
163.03882	27.8
181.04947	100.0
187.14876	7.6
189.21568	5.9
219.01738	8.6
233.15372	6.0
237.02768	13.1
303.78769	5.8
395.07309	13.4
395.13004	14.1
395.17865	6.2
413.07538	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	395.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55030	7.4
56.96556	19.5
57.41018	7.0
70.88583	8.9
81.17148	7.5
84.96022	8.1
85.02905	11.9
91.05455	8.5
96.60603	7.7
97.96824	8.5
98.97572	43.4
110.97577	22.3
116.98613	14.4
122.90445	7.2
128.98615	12.4
134.42780	7.8
145.04951	6.9
147.15451	7.3
158.99792	8.3
177.00674	11.6
189.00722	9.3
207.03249	13.9
209.44246	9.8
219.01747	16.9
237.02844	31.7
237.75032	7.9
309.06506	36.0
327.07474	100.0
395.07440	59.3
395.14163	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	395.1124
Annotation	Justicidin A
Peak:m/z	Relative Intensity
61.63972	0.5
70.01170	1.1
70.01524	0.9
75.04474	4.5
127.77053	0.5
136.93051	0.5
144.61435	0.5
177.00555	0.5
181.06517	0.7
189.06969	1.7
190.07515	0.6
202.07848	0.9
205.06432	5.7
206.07339	0.8
207.08067	1.7
208.18877	0.5
217.06546	2.7
218.07265	2.6
219.08000	4.4
220.08752	0.7
221.05881	0.6
231.07996	0.6
232.08789	1.8
233.05946	15.7
233.09480	0.9
234.06567	2.9
235.07494	7.5
237.05486	0.9
245.05986	2.2
246.06801	4.7
247.07509	9.2
248.04556	0.9
248.05730	0.9
248.08278	11.8
249.09016	2.8
250.09665	1.2
259.07574	1.5
260.04587	1.1
260.08295	10.3
261.05481	11.6
261.08841	1.7
262.06210	6.8
262.09833	7.1
263.07001	12.3
263.10522	2.5
264.07523	1.0
265.04944	2.6
265.08578	0.5
273.05237	0.7
274.06183	9.2
275.06961	12.2
276.07755	10.3
277.08548	4.9
278.06097	0.9
278.09317	10.3
279.06512	0.9
280.07251	1.0
282.08865	1.3
287.03528	0.6
287.06812	1.0
288.07718	6.4
289.04907	7.9
289.08530	11.4
290.05634	2.6
290.09265	4.1
291.06476	7.6
291.10083	4.8
292.07324	2.5
293.08044	3.6
293.11685	19.6
294.11981	1.2
303.06500	11.5
304.07254	36.8
305.04590	0.9
305.08002	20.4
306.05142	3.6
306.08807	10.4
307.05954	1.0
307.09305	0.8
316.07245	3.3
317.04523	6.1
317.07916	0.9
318.08847	4.6
319.09601	100.0
320.06885	1.1
320.10269	27.2
321.07538	3.0
321.11108	16.4
322.08215	1.3
322.11493	0.8
331.05981	1.7
332.06754	28.8
333.07175	2.8
334.08246	4.5
335.05417	8.4
335.09116	14.9
336.09866	40.1
337.10315	2.9
346.08109	1.0
347.09091	59.1
348.09500	4.4
349.07056	1.2
350.07724	11.0
350.11517	6.6
351.08417	3.9
351.12219	21.4
352.12616	1.4
362.07840	5.3
363.08578	15.1
364.09277	3.3
365.10156	33.8
366.10397	2.9
377.05487	0.9
377.10150	16.3
378.10245	1.4
380.08765	2.6
395.11224	15.3
396.11554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1126
Annotation	Chinensinaphthol methyl ether
Peak:m/z	Relative Intensity
57.91468	0.4
62.69539	0.5
69.75877	1.0
69.76225	1.4
71.57094	0.5
75.04504	0.5
83.56814	0.5
89.72933	0.5
90.57981	0.5
113.38573	0.5
114.50044	0.5
117.62772	0.5
146.74957	0.5
154.96985	0.5
159.08188	0.6
185.05975	5.1
186.06746	0.7
202.07683	0.8
203.08604	0.7
205.06445	1.1
206.07285	0.6
207.07973	1.4
214.06181	1.3
217.06601	0.8
218.07253	2.1
219.08070	2.5
220.08725	1.0
221.06004	0.5
221.09520	0.8
222.10081	0.5
223.07568	0.7
229.06471	0.6
229.08583	1.7
231.07959	1.5
232.08968	0.6
233.05936	1.9
233.09605	1.7
234.06851	2.8
234.10056	0.6
235.07559	5.5
236.08212	0.6
238.97247	0.5
241.12233	2.4
246.06834	1.6
247.07492	5.8
247.09659	1.0
248.08192	2.8
249.05432	0.6
249.09085	3.9
250.06076	0.7
250.09808	1.3
251.07062	1.1
254.08978	0.6
257.08081	2.5
259.07602	2.1
260.08295	1.9
261.05530	1.5
261.09021	2.5
262.06253	4.7
262.09842	2.0
263.07056	7.8
263.10480	6.3
264.07602	0.8
265.08566	1.8
265.12097	0.9
266.09329	0.6
273.05499	0.8
274.06213	1.0
275.06946	6.7
276.07782	4.0
277.05313	1.1
277.08569	4.5
278.05765	4.2
278.09341	3.0
279.06555	1.7
279.09946	1.0
281.11694	0.8
287.07043	1.1
288.07693	1.2
289.04993	1.5
289.08612	3.8
290.05725	3.2
290.09378	4.7
291.06461	5.1
291.10071	2.3
292.07193	2.6
292.10846	1.5
293.08002	3.0
293.11765	4.0
294.08762	1.2
295.09610	1.9
303.06528	2.9
304.07306	3.3
305.08047	7.7
306.05399	0.8
306.08728	4.8
307.06247	1.0
307.09634	3.4
308.10400	1.4
309.11194	1.7
316.07349	0.5
317.04465	0.7
317.07999	0.8
318.08780	1.2
319.06039	1.9
319.09573	18.3
320.06796	1.3
320.10333	19.3
321.07498	3.9
321.11176	7.5
322.08133	2.0
323.09305	0.6
323.12833	1.8
332.06845	2.4
333.07559	4.9
333.11197	0.9
334.08273	2.3
335.05573	0.8
335.08957	4.1
336.09848	12.9
337.10385	1.6
346.08295	2.5
347.09085	5.3
348.09662	0.8
349.10660	1.2
350.07623	2.2
350.11517	2.9
351.08182	1.1
351.12222	11.9
352.12714	1.2
362.07874	1.7
363.08643	1.5
364.09335	6.0
365.10196	5.7
377.10181	2.1
380.08780	1.3
395.11234	100.0
396.11530	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	395.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49894	0.4
70.41275	1.0
76.04866	0.4
110.84243	0.4
111.04459	0.5
121.11771	0.4
127.91402	0.5
135.39357	0.4
139.03902	0.9
147.04330	0.5
153.05434	0.9
181.04890	1.3
185.04199	5.1
190.36371	0.4
190.38252	0.4
217.04767	1.0
232.07060	12.0
233.07805	9.9
364.11356	2.1
365.11987	1.2
395.13089	100.0
396.13431	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	395.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77366	1.1
53.03947	1.3
54.44894	1.0
55.01875	2.4
55.05507	2.6
57.03432	2.7
57.35397	1.0
58.95113	1.0
61.02921	4.3
63.47376	1.1
66.41832	1.0
67.05496	7.3
67.21747	1.0
69.03423	17.2
69.07052	2.4
69.30662	0.9
69.71938	2.5
69.72334	1.6
71.05014	1.3
73.02922	2.1
79.05499	5.7
81.03419	7.8
81.07053	20.4
85.02901	22.8
87.04496	1.9
87.20583	1.3
91.05468	12.2
93.07038	8.3
95.04956	3.3
95.08598	16.0
97.02882	8.5
98.23359	1.7
99.04472	3.1
103.05450	1.9
105.07026	16.1
107.08585	5.9
108.05894	1.1
109.02896	3.8
109.06541	4.7
109.10162	17.5
111.97006	1.5
115.05410	1.4
117.07025	6.5
118.97144	0.9
119.08572	11.3
121.06532	3.4
121.10131	2.7
123.08067	4.0
127.03849	5.1
129.07011	4.7
130.07777	2.0
131.08554	24.4
133.06506	3.1
133.10147	6.7
135.08066	2.6
135.11722	1.5
137.05908	1.5
137.09615	2.0
143.08583	3.4
145.04994	3.4
145.06494	4.4
145.10107	22.5
147.04434	1.4
147.08084	7.0
147.11685	7.0
149.05923	1.3
149.09618	1.9
155.08565	3.4
157.10139	3.5
159.08037	43.3
159.11673	10.3
161.09711	1.3
165.09103	6.9
169.10101	2.3
173.09631	4.4
173.13260	4.0
175.11209	2.3
177.09067	1.9
182.11032	1.4
187.11266	2.6
187.14803	22.3
191.10632	1.8
197.13268	2.7
201.01654	2.7
205.15848	4.9
215.10988	1.8
215.14302	33.4
216.14592	1.4
217.15919	2.4
233.15344	100.0
234.15668	3.5
310.46408	1.1
362.13077	1.2
395.20575	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	396.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40862	1.9
55.01848	1.6
69.35478	9.0
70.06578	3.7
72.88828	1.6
79.05501	10.9
91.05485	5.8
92.12049	1.6
93.03399	10.5
95.04970	3.7
96.70671	1.7
98.97604	1.7
107.04939	50.1
109.02858	2.1
111.04431	31.2
119.04984	2.1
123.04424	16.7
129.27275	1.7
131.04988	2.1
135.04402	85.8
136.04764	2.5
137.05966	8.1
139.03883	76.3
145.02821	2.1
147.04462	1.9
153.05455	100.0
159.04414	4.9
163.03882	17.5
166.56294	1.7
177.05443	14.6
181.04944	62.7
188.03212	5.1
199.05969	10.6
199.09615	2.8
216.02658	40.4
219.02652	1.9
220.35661	1.9
232.07051	2.9
233.07686	3.3
234.03685	3.7
234.08099	2.3
251.07048	2.9
252.97957	3.7
257.08096	7.2
259.09631	2.3
269.08075	8.6
287.09232	2.7
297.07571	5.0
315.08618	6.2
333.09595	4.3
396.06882	15.4
396.13397	41.5
397.05246	18.5
397.14594	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	396.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70254	7.2
79.05484	2.5
89.03901	2.6
93.03403	3.7
107.04940	6.3
111.03747	2.4
111.04427	12.4
117.03366	5.6
135.03610	2.2
135.04414	22.8
139.03896	28.3
145.02827	9.4
153.05463	3.1
163.03897	79.2
164.04257	3.1
181.04948	26.2
199.09563	2.5
201.01617	3.7
215.11737	2.5
219.02591	9.3
234.08565	8.9
234.10812	2.3
235.09352	6.8
361.08994	4.0
369.05731	4.0
396.13489	17.2
397.05386	44.3
397.14609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60279	3.3
73.01576	3.7
85.77132	4.0
111.04433	7.6
117.03375	5.8
130.04968	4.5
135.04390	25.8
139.03888	36.8
143.86630	3.8
145.02843	12.7
149.21959	4.0
163.03903	100.0
176.65709	3.7
181.04900	24.9
217.08601	5.4
219.02679	8.9
235.09412	4.6
248.74057	4.2
248.76683	4.4
273.97360	3.9
277.00107	3.9
395.25125	10.0
397.05252	59.7
397.14313	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	396.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01856	4.4
57.03420	3.7
57.06821	2.3
57.07075	23.8
61.02923	3.5
68.08319	1.4
68.99796	1.7
69.03429	18.4
69.07082	1.7
71.05000	3.3
73.02909	4.5
81.03413	16.4
85.02898	51.5
85.06534	30.4
87.00825	21.1
90.07531	1.5
91.03969	1.6
91.05476	51.2
97.02886	24.7
99.04451	10.6
105.01863	24.9
109.02882	14.9
113.08855	1.5
113.09642	30.4
117.01868	3.0
127.03906	44.7
129.01779	1.7
131.10670	100.0
139.11154	1.9
145.04948	17.5
147.02827	2.4
159.02884	9.3
199.13298	3.0
213.03925	4.4
231.05032	11.9
249.05995	1.8
256.65921	1.4
302.99582	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94579	1.3
53.03947	3.4
55.05510	22.0
57.03428	3.1
59.22277	1.3
69.03423	4.3
70.68644	1.8
71.04987	45.9
73.06538	3.4
81.03412	4.6
83.04974	65.6
85.02897	9.6
91.05494	2.4
96.59723	1.4
97.02895	4.9
99.04446	100.0
100.04790	2.6
101.06017	26.7
109.02885	4.3
117.05481	25.5
119.07065	4.0
122.35967	1.2
127.03889	6.4
145.04987	4.2
147.04428	1.4
158.30673	1.3
181.08607	3.2
199.07814	1.7
199.09622	24.1
203.17079	1.2
217.10712	20.2
227.09140	2.5
245.10197	7.0
287.20767	1.5
317.61887	1.5
325.12854	3.3
365.09039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11652	0.5
52.85065	0.5
53.03716	0.6
53.03939	3.8
53.13346	0.6
55.01871	6.6
57.03437	5.4
57.07078	1.1
61.02909	5.7
65.23412	0.7
68.99772	2.6
69.03425	34.9
69.50132	3.0
71.04987	4.7
71.08616	1.3
73.02914	5.8
78.89143	0.6
81.03412	24.5
83.01344	1.1
85.02898	100.0
86.03228	1.3
87.00822	46.9
87.04428	0.7
91.03955	1.3
97.02885	31.6
98.23456	1.3
99.04445	12.7
101.02373	0.7
103.03895	0.8
105.01858	65.4
106.02223	0.8
108.04475	1.9
108.99136	0.6
109.02871	28.5
115.03905	1.1
117.01853	1.9
126.05530	0.7
127.03905	72.2
128.04245	1.3
129.01831	2.7
145.04944	33.7
147.02867	3.0
147.46622	0.6
159.02890	12.3
161.31906	0.6
161.47955	0.7
171.02838	1.3
177.03915	0.8
189.03961	2.9
213.03998	3.6
213.75291	0.7
230.06590	1.0
231.04984	20.8
248.07704	0.9
249.06076	4.7
254.78180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01873	6.1
57.03433	6.3
57.07073	1.6
61.02925	6.1
68.99783	2.7
69.03421	35.2
69.03799	1.7
69.07036	1.2
69.29096	4.8
71.04984	4.0
71.08612	2.5
73.02908	5.0
74.78897	0.9
81.02963	1.4
81.03410	19.6
82.03740	0.8
83.75492	0.8
84.30449	0.8
85.02895	100.0
85.45029	0.9
86.03242	1.9
87.00282	2.1
87.00819	43.4
91.03933	1.8
97.02881	26.5
98.22636	1.6
99.04449	11.4
101.02362	0.9
103.03883	1.0
103.68113	0.8
105.01857	64.4
106.02192	1.2
106.26665	1.0
108.04482	1.6
109.02867	28.2
115.03928	1.3
117.01830	2.5
125.02356	0.9
127.03902	69.8
128.04192	2.0
129.01830	2.4
129.63017	1.0
143.49800	0.9
145.04939	34.0
145.06087	1.8
146.05179	0.9
147.02827	3.0
159.02856	14.1
168.56613	0.8
171.02892	1.4
189.03955	3.9
192.83987	0.8
213.03993	3.1
231.04968	18.9
248.07698	1.2
249.05992	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	397.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03078	2.2
52.32048	2.0
56.96552	3.7
62.00472	2.1
69.50993	9.2
71.30588	1.9
85.02866	6.9
89.43176	2.0
97.02807	2.7
98.97575	10.7
107.08566	3.6
110.07125	3.3
127.03847	2.3
132.04387	6.9
163.03767	2.6
177.99242	2.5
187.14735	3.0
191.14192	4.9
195.04857	2.2
199.14636	2.2
201.01527	5.5
217.15762	9.2
219.02684	13.9
234.08534	6.1
235.09285	8.2
235.16837	9.1
238.01398	2.6
253.03792	12.9
256.02423	2.4
271.04898	22.1
303.70157	2.4
369.05624	5.1
397.04343	58.8
397.09027	18.0
397.14383	100.0
398.05182	5.9
398.14377	4.8
415.08850	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	397.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10270	1.0
56.96293	1.4
56.96566	27.0
67.80707	0.8
69.39448	4.2
72.59102	0.9
78.15798	1.0
81.07117	0.9
84.96030	1.2
98.91955	4.3
98.97578	12.4
116.98628	8.0
119.08587	2.6
134.99626	2.9
164.22905	0.9
165.07042	1.3
179.08559	1.1
192.09349	0.9
193.10060	2.7
195.11870	1.0
196.78793	1.1
205.10127	1.0
207.11754	1.1
220.12477	2.3
221.09636	2.3
222.10196	1.1
234.10216	1.0
235.14850	1.9
237.09111	2.5
238.09821	7.4
239.10657	9.5
242.02563	2.4
247.02783	0.9
248.12018	1.5
251.10617	2.1
252.11435	11.1
253.12102	1.3
255.03296	1.3
260.03561	14.3
261.04120	1.1
263.14279	2.9
266.12946	6.7
269.04922	1.0
271.02823	1.4
273.04251	4.5
274.05032	1.6
278.04343	4.5
281.15332	46.3
282.15683	2.7
287.05817	2.3
288.02850	1.2
295.10211	1.3
299.05807	5.1
300.06451	1.4
307.07037	1.5
307.09845	5.8
309.07986	1.4
310.05084	2.6
313.07550	1.8
313.11017	1.7
314.04776	1.4
314.08133	7.7
315.08945	3.1
316.09558	4.9
317.07083	1.2
319.10150	1.3
321.07849	1.2
323.09460	2.0
325.07504	1.5
325.11014	14.5
327.08780	1.3
328.06180	7.1
328.09631	1.6
329.06650	1.2
330.07706	2.1
331.08447	1.4
331.12125	3.2
332.09259	9.7
334.10800	3.9
336.06546	1.4
337.11151	3.8
339.08939	7.0
340.09875	2.3
341.10590	3.1
342.07730	2.3
343.12143	56.4
344.12512	3.5
354.07739	6.2
355.12100	20.3
356.12817	1.1
357.10077	18.3
358.10681	3.0
359.11838	1.1
361.13190	34.4
362.13626	1.3
366.13678	3.3
367.12274	2.9
369.10037	4.0
371.11713	1.3
373.13202	27.9
373.17862	1.4
375.11157	9.5
379.12143	3.1
385.13162	5.7
387.11179	5.0
391.14194	4.2
397.13171	100.0
398.13467	6.3
405.11987	1.6
415.14236	84.6
416.14536	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	397.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36287	0.4
104.97651	0.5
115.77246	0.4
150.02412	0.4
163.04010	0.8
185.04248	2.3
189.05208	0.7
201.01611	1.6
219.02596	5.3
219.06245	1.1
234.08585	8.3
235.09373	8.8
331.14462	0.4
367.13550	1.0
369.05716	1.7
397.05753	19.4
397.14658	100.0
398.05606	1.7
398.15005	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	397.147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65723	0.4
56.52905	0.4
60.78454	0.4
64.40868	0.4
64.87247	0.4
80.36212	0.4
81.07585	0.4
86.09695	0.4
155.89069	0.4
162.68855	0.4
184.12943	0.4
232.03665	0.5
235.09398	0.6
271.54028	0.5
289.01526	0.5
327.60056	0.5
331.47598	0.4
397.14664	100.0
398.14975	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	397.1467
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
50.34011	0.5
55.52536	0.5
70.70219	0.7
74.46281	0.5
102.07255	0.5
115.37299	0.5
123.24209	0.5
133.61694	0.5
133.75978	0.6
154.62608	0.6
185.04147	2.5
189.05191	0.6
189.81580	0.6
219.02660	2.1
219.06337	1.8
234.08618	7.4
235.09372	9.1
236.09782	0.5
242.71449	0.5
244.17343	0.5
339.69363	0.5
367.13651	1.2
369.05386	0.6
397.05347	8.3
397.14661	100.0
398.05923	0.9
398.14969	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	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	11.7
57.08486	5.3
58.56237	5.6
62.03255	5.4
67.05503	12.1
69.03413	19.3
70.06578	15.9
70.72895	11.9
78.12683	5.6
81.03402	18.0
85.02888	34.3
91.05461	16.5
93.07031	11.1
95.08607	20.5
97.02888	11.4
98.09705	22.3
99.04440	8.6
100.11253	17.6
103.03951	8.4
109.02908	11.3
109.10123	20.3
110.07197	6.8
111.08054	5.9
119.04931	14.2
119.08542	10.2
127.03931	24.4
128.00801	18.3
137.09647	13.7
145.02802	6.4
145.04997	11.8
147.04417	17.3
156.05696	7.9
165.09103	7.9
167.07008	11.5
168.06049	6.8
173.11737	29.7
175.03885	13.8
183.10095	8.7
184.05283	7.3
201.11237	23.5
207.06500	23.3
212.04665	9.3
219.08064	7.1
219.10037	6.5
219.12164	8.2
221.06038	6.7
230.05731	8.9
236.14226	8.9
237.10999	13.1
245.08044	78.1
249.09056	7.5
339.12079	8.7
397.31818	7.2
398.10419	12.7
398.18774	6.2
399.07666	12.7
399.11365	7.7
399.16446	100.0
401.73849	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	398.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90275	0.4
56.96560	9.7
67.44852	0.4
69.69872	0.7
69.70236	0.7
71.25899	0.4
71.37039	0.3
71.95248	0.4
89.04731	0.3
98.23377	0.6
98.97572	95.8
99.97907	0.5
116.98610	45.6
121.99302	0.3
130.93280	1.1
133.73572	0.3
134.99643	11.9
140.00145	0.4
153.00743	0.7
172.94334	5.7
190.95370	4.0
197.95113	0.6
208.96378	0.8
209.40213	0.3
214.95360	3.6
232.96455	6.7
241.94160	0.4
250.97556	1.8
256.96390	16.5
258.99707	2.9
274.97467	100.0
275.97882	2.4
276.98010	0.6
277.00800	3.9
292.98529	55.3
293.98825	1.2
297.99118	1.0
300.12946	0.4
310.99667	0.5
316.00186	0.6
339.05511	0.5
339.09116	0.5
398.97525	1.3
399.12598	1.2
416.98639	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96283	0.6
56.96561	10.3
68.77179	0.3
70.54110	0.6
71.95246	0.7
97.02835	0.5
98.97575	97.6
99.97923	0.7
116.98611	46.6
118.99097	0.3
130.93300	0.8
134.99643	11.6
140.00143	0.5
151.27945	0.3
153.00676	0.9
154.93393	0.4
172.94360	4.8
190.95396	4.2
208.96434	1.0
214.95374	2.7
232.96439	5.7
241.94037	0.6
250.97516	3.3
256.96396	15.2
258.99762	3.3
260.00098	0.3
274.97479	100.0
275.97839	2.8
277.00775	3.6
282.99951	0.6
292.98535	59.8
293.98941	0.9
297.99213	1.5
298.97675	0.5
301.01059	0.5
310.99304	0.3
315.99890	0.3
316.98621	0.5
318.98761	0.4
398.98004	1.7
416.98941	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	399.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	40.1
60.29988	4.2
69.03448	5.8
69.11497	27.6
70.70297	4.4
77.34872	4.0
79.05515	4.5
79.80966	4.2
81.07047	5.6
85.02897	10.8
87.04427	4.5
93.07059	5.5
95.04948	4.6
98.23462	6.1
105.07024	5.1
108.06630	4.7
123.11699	5.5
159.11685	5.7
175.00652	7.8
175.85193	4.0
185.46153	4.2
191.00169	12.4
193.01697	34.3
209.01186	31.3
210.01884	5.2
211.02769	100.0
218.99611	7.4
227.02322	6.5
229.03838	26.5
235.81264	4.2
237.00676	62.5
248.20889	4.8
255.01729	77.6
273.02802	40.7
353.03323	7.8
371.04306	16.6
389.05432	5.3
393.59430	4.8
399.03894	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	399.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04542	19.4
56.96563	57.9
60.92379	17.9
62.68176	19.7
65.23956	19.4
70.16779	40.2
70.17110	24.5
71.08640	22.2
84.96014	20.0
98.97607	100.0
110.97577	25.6
114.34373	19.1
116.98619	60.5
120.94760	22.2
146.99615	24.9
151.03833	19.4
202.32779	20.5
213.53838	20.3
219.01761	48.8
237.02769	82.2
292.98569	37.1
339.07431	76.8
357.08585	87.6
399.06467	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	15.6
60.20145	16.9
69.29439	100.0
71.08646	22.4
76.14462	16.7
84.08148	24.0
85.02926	21.7
87.92954	15.9
98.22688	32.1
98.97615	48.2
104.00138	16.2
116.98634	29.9
121.06487	25.8
147.04385	31.4
147.06514	30.1
191.10715	19.7
219.10237	27.5
237.11226	68.0
258.14026	17.8
274.97479	36.1
292.98535	31.7
339.03882	24.7
399.07092	39.9
399.11884	37.5
399.16272	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62519	2.4
62.22717	2.3
69.03421	3.3
70.06585	6.5
71.08636	3.8
74.29202	2.6
83.13569	2.3
85.02865	5.7
97.02889	12.4
98.97578	4.8
106.88934	2.5
116.98603	2.9
120.08080	7.2
121.95525	2.7
136.06175	4.9
139.03903	3.7
143.40288	2.5
143.81366	2.5
174.12791	5.6
180.29366	2.5
181.18013	2.3
192.13890	3.0
195.02887	19.1
237.07242	6.1
238.14276	13.8
250.09412	6.5
274.97607	4.9
292.98709	3.8
399.10547	100.0
399.16068	13.7
400.10629	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	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	3.6
60.09142	0.8
60.19968	0.8
60.46278	0.8
64.61311	0.8
69.61805	1.4
69.62164	2.7
70.86257	0.7
71.08598	1.3
71.21700	0.8
72.93065	0.8
98.22595	0.8
98.97575	28.6
116.98618	20.2
132.75758	0.9
134.99644	9.4
136.06192	2.6
177.00963	1.6
184.44705	1.0
190.95343	1.0
203.02573	1.2
219.01947	2.4
232.96419	3.0
233.03555	1.5
256.96375	6.3
258.99722	1.1
261.03107	1.3
274.97513	38.4
275.97818	1.8
277.00681	1.1
292.98532	20.7
301.01047	1.5
316.98773	1.5
375.26324	0.9
399.12604	100.0
400.12805	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	399.1413
Annotation	D 4476
Peak:m/z	Relative Intensity
69.38805	3.6
71.08634	1.4
101.06029	1.1
145.60394	0.8
157.33281	0.7
258.67938	0.8
283.85208	0.8
308.10400	1.3
325.10410	3.1
337.14117	1.6
399.14117	100.0
400.14355	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	399.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72629	0.6
69.07047	0.8
69.44664	2.7
80.52493	0.5
86.22591	0.6
120.50437	0.6
155.49474	0.6
199.88428	0.7
212.02394	0.6
227.05226	1.0
243.04759	7.2
271.04248	2.0
287.03705	20.2
287.06772	1.2
289.05353	1.8
299.97409	0.7
313.16150	2.7
355.17279	19.3
356.17560	0.7
399.16214	100.0
399.27164	2.0
400.16501	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	399.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
56.00927	0.4
56.05037	1.1
57.03429	0.5
57.07072	0.7
60.73890	0.4
68.05025	1.3
69.03429	0.9
70.06591	1.2
70.10688	0.4
71.41621	0.3
79.05499	1.6
81.03404	0.8
84.04495	8.6
85.02903	1.7
91.05496	0.6
94.06578	1.0
96.06886	0.4
97.02876	0.9
97.07662	0.6
103.05450	3.2
105.02630	0.4
106.06545	100.0
107.06880	2.4
109.07643	0.5
111.29393	0.4
114.05521	2.4
114.77110	0.4
117.05574	0.4
118.06527	3.6
121.02866	0.5
126.10280	0.5
127.03925	0.8
130.05031	0.5
130.06502	2.2
131.04918	5.8
134.06012	0.6
142.04984	1.2
144.08064	3.5
145.04898	0.4
145.07660	0.5
148.05168	0.8
154.06505	0.9
160.07565	0.9
162.09169	2.3
163.07556	2.3
169.13570	0.4
171.09158	45.0
172.07545	4.6
172.09656	1.7
174.09132	0.5
182.09814	0.4
189.10184	2.3
190.08636	1.8
200.07028	0.5
201.01648	0.4
217.09705	35.4
218.08101	8.0
218.09988	1.0
235.10753	61.1
236.10976	2.6
237.07317	4.4
247.11884	0.4
370.20068	0.4
399.07382	0.6
399.12296	2.3
399.17001	3.0
399.23135	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1988
Annotation	Lys Asp His
Peak:m/z	Relative Intensity
54.23617	0.5
65.80601	0.4
70.21719	0.8
70.22047	0.6
70.60809	0.4
81.39550	0.5
132.10954	0.5
224.60481	0.5
355.17264	0.8
356.57925	0.5
399.19928	100.0
400.20227	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23617	0.5
65.80601	0.4
70.21719	0.8
70.22047	0.6
70.60809	0.4
81.39550	0.5
132.10954	0.5
224.60481	0.5
355.17264	0.8
356.57925	0.5
399.19928	100.0
400.20227	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86842	0.6
55.05509	1.4
57.07068	2.8
58.06592	0.8
64.55252	0.6
67.05506	1.4
69.07072	1.2
70.06592	1.4
70.52006	0.8
71.08607	1.4
81.03426	1.2
81.07065	0.9
83.08633	0.9
85.10180	1.3
88.07619	2.7
95.04968	2.3
95.08595	1.8
102.09185	1.0
109.10117	1.1
116.14074	0.5
119.08582	0.5
123.11732	1.1
135.54156	0.6
140.62909	0.6
213.90170	0.5
225.12906	0.6
296.29453	19.0
297.29947	0.7
332.43988	0.7
338.34283	2.6
339.19287	26.3
340.19745	1.9
377.82803	0.6
399.21390	100.0
400.21750	9.1
400.37750	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	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15937	3.9
55.01884	5.1
55.05501	14.6
57.03439	19.7
59.04996	4.4
61.02917	10.0
63.85828	3.7
67.05493	4.5
67.81647	3.8
69.03423	75.9
70.06585	4.4
73.02906	8.7
75.61130	3.6
81.03418	9.3
81.98349	3.4
83.04989	6.6
83.08592	10.0
84.84225	4.2
85.02895	100.0
85.25690	3.9
86.03237	4.6
87.04460	57.5
87.80928	3.3
91.03915	4.9
91.05444	4.6
92.83913	4.2
97.02873	76.3
98.03237	3.7
99.04448	6.2
100.07605	16.2
100.11263	29.9
101.07923	6.6
101.11572	6.2
103.03913	4.2
104.12312	3.5
105.07037	5.5
107.08533	4.2
109.02837	10.1
109.06533	7.6
109.66148	3.6
111.04436	20.9
115.03918	84.7
123.08039	3.9
126.09149	4.4
127.03911	22.7
128.07065	14.5
133.04956	95.2
145.04941	40.6
147.04274	5.1
150.07600	7.8
151.11218	4.3
163.03824	5.5
163.06029	17.5
182.15411	29.2
183.15706	26.7
183.22813	3.8
210.14885	25.9
211.15204	38.5
228.17960	4.8
239.08887	26.2
244.27399	4.3
245.08102	4.9
246.08372	5.9
259.08102	4.6
273.19846	4.0
300.17474	4.2
338.21631	19.0
355.24118	17.2
383.23477	10.3
400.26263	5.7
401.13611	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	400.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.3
57.07069	2.4
69.07064	9.7
69.61179	3.9
70.06587	18.1
71.08622	1.2
74.06065	1.0
83.08624	5.8
83.19317	0.8
84.08129	2.1
86.09696	1.5
88.07625	19.4
97.10150	2.3
102.09220	1.2
106.08661	3.0
114.09151	7.4
118.08674	1.9
124.68343	1.1
128.33148	0.9
130.31557	0.8
132.10191	21.8
141.72498	0.9
145.55142	0.8
150.11243	18.4
172.76256	0.8
178.54999	0.9
233.10632	0.8
338.34116	1.4
356.35193	4.8
377.16116	1.4
395.17453	1.2
400.37814	100.0
401.38098	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	400.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05508	11.0
56.05018	0.7
57.07075	1.9
57.20653	0.3
58.06598	2.3
67.05482	0.9
69.07062	8.5
69.15995	1.3
69.16401	0.6
70.06586	16.3
71.08605	0.7
72.08146	1.4
74.06070	1.1
77.97825	0.3
81.07036	0.7
83.08617	3.8
84.08131	0.8
86.06112	0.3
86.09689	0.5
88.07623	30.3
95.08567	0.3
97.10157	1.3
102.09171	13.3
104.03110	0.3
117.50932	0.3
132.10196	1.1
146.11742	0.9
150.11237	0.6
163.47682	0.3
211.46036	0.3
256.55734	0.3
294.31598	0.8
319.12930	0.7
338.34128	30.1
339.34564	2.6
382.36710	2.3
400.37814	100.0
401.38147	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	401.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	11.5
58.47869	1.1
69.64091	3.1
82.55984	1.1
82.92732	1.2
95.10280	1.1
98.97575	100.0
105.49831	1.4
105.52528	1.3
110.83166	1.2
111.04601	1.3
115.87045	1.4
116.98615	60.8
117.98954	2.2
119.01908	2.3
125.24978	1.3
134.99649	28.0
153.00729	2.9
177.00919	11.0
190.95412	1.6
191.02496	7.6
201.00931	8.6
203.02510	7.0
205.00555	1.6
215.02527	2.9
216.98788	2.4
219.01978	26.1
220.02153	2.9
224.14056	1.3
229.00406	4.1
232.96483	2.8
233.03554	25.5
234.03615	2.4
234.99948	3.2
240.98717	4.9
247.01299	1.8
250.97511	2.6
256.96515	5.5
258.99734	54.6
259.99966	4.4
261.00000	3.6
261.03064	7.0
262.03046	2.3
263.03070	1.9
274.97488	38.9
275.97812	3.9
276.97595	7.1
277.00760	68.2
278.00992	5.7
279.00687	1.6
283.00018	8.6
284.00098	3.4
284.99847	4.1
285.99789	1.4
289.02353	2.7
292.98572	22.9
293.01721	2.5
293.98962	2.3
294.98669	2.9
298.98038	2.3
299.01047	12.1
301.01019	14.0
302.01340	3.3
303.00797	5.4
303.04150	1.5
308.53329	1.3
316.99017	1.6
317.02075	11.9
318.02237	1.4
318.98706	3.2
319.02371	1.6
341.02087	5.3
342.02704	1.6
351.88934	1.4
354.94174	3.2
359.03131	27.9
359.07294	1.6
360.03311	3.7
372.95316	1.7
377.04276	6.1
383.00171	4.1
401.01080	23.7
402.01321	3.8
418.97256	6.8
419.02893	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	401.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19120	1.0
56.96568	10.2
88.24938	0.9
89.63548	1.1
98.97579	100.0
99.97894	2.1
100.97186	1.8
116.98617	49.5
117.98977	1.1
134.99643	15.0
172.94353	1.9
214.95470	1.2
232.96396	2.6
234.99719	1.4
240.98824	2.8
250.97751	1.6
256.96451	7.0
258.99750	41.8
259.99942	3.0
261.00092	1.2
274.97498	46.7
275.97910	4.9
276.97675	8.5
277.00754	49.4
278.01013	3.9
279.00507	1.8
282.99948	2.4
292.98560	26.1
293.98859	2.4
294.98529	3.7
298.98074	1.1
300.97638	1.2
301.01004	2.2
318.98697	1.4
382.99850	2.6
401.01117	11.0
402.01376	2.5
418.97388	1.6
419.02365	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	401.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.8
55.64567	4.5
57.07052	6.8
60.03371	4.3
62.44150	4.5
67.05498	4.7
68.71836	4.3
68.99777	5.5
69.03403	7.7
69.07072	35.2
79.05481	4.8
81.03391	7.4
81.07049	9.5
83.08597	10.2
84.33005	4.8
85.02885	16.4
87.00835	8.1
88.07654	4.8
91.05473	6.0
93.07016	12.4
97.02885	6.1
105.01829	9.1
107.08578	15.3
109.02859	10.2
109.10092	6.1
119.08565	17.4
121.10270	6.1
125.13248	20.5
127.03894	11.5
135.11665	8.6
205.83640	4.7
219.63943	5.1
239.06866	32.3
261.14795	10.8
292.14813	4.8
347.14572	7.2
365.15775	5.5
401.12082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69939	0.5
72.21449	0.7
77.60804	0.6
92.59798	0.5
97.02895	0.6
108.57732	0.5
110.23856	0.5
120.59351	0.5
153.08841	1.8
158.78398	0.7
197.39832	0.5
223.11942	0.6
224.05885	0.6
315.14105	11.1
339.13998	1.1
357.15143	46.7
358.15326	2.7
383.15179	0.6
401.14127	100.0
402.14487	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	401.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80670	0.6
63.43178	0.7
69.03424	1.7
69.92680	0.6
79.05485	1.9
81.03412	1.1
85.02897	3.3
86.09704	2.2
87.00833	1.5
91.05472	2.2
93.34867	0.6
97.02879	2.2
105.01857	1.3
107.04969	2.3
109.02881	0.7
119.04913	1.5
123.04284	1.9
127.03902	2.9
137.05937	1.1
139.03650	1.6
144.05719	0.7
145.04956	1.4
156.05635	1.6
159.02890	0.9
159.08023	1.2
163.03851	2.1
167.07034	5.5
185.04190	7.9
187.07645	1.3
208.05151	0.8
216.53981	0.7
217.08517	3.6
219.07988	1.4
229.04976	0.8
231.07951	0.9
236.08342	1.1
239.08876	100.0
240.09229	4.6
247.07382	1.2
247.09688	1.5
248.08365	1.0
261.08832	0.9
264.08029	0.7
265.08560	0.8
285.09442	2.8
291.10602	0.8
293.08145	0.9
307.09457	0.9
308.10367	0.8
315.08615	1.8
323.12665	0.9
330.10883	2.6
331.11752	0.8
351.12115	1.6
357.15125	0.9
383.14951	4.9
401.14075	63.3
402.14505	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80670	0.6
63.43178	0.7
69.03424	1.7
69.92680	0.6
79.05485	1.9
81.03412	1.1
85.02897	3.3
86.09704	2.2
87.00833	1.5
91.05472	2.2
93.34867	0.6
97.02879	2.2
105.01857	1.3
107.04969	2.3
109.02881	0.7
119.04913	1.5
123.04284	1.9
127.03902	2.9
137.05937	1.1
139.03650	1.6
144.05719	0.7
145.04956	1.4
156.05635	1.6
159.02890	0.9
159.08023	1.2
163.03851	2.1
167.07034	5.5
185.04190	7.9
187.07645	1.3
208.05151	0.8
216.53981	0.7
217.08517	3.6
219.07988	1.4
229.04976	0.8
231.07951	0.9
236.08342	1.1
239.08876	100.0
240.09229	4.6
247.07382	1.2
247.09688	1.5
248.08365	1.0
261.08832	0.9
264.08029	0.7
265.08560	0.8
285.09442	2.8
291.10602	0.8
293.08145	0.9
307.09457	0.9
308.10367	0.8
315.08615	1.8
323.12665	0.9
330.10883	2.6
331.11752	0.8
351.12115	1.6
357.15125	0.9
383.14951	4.9
401.14075	63.3
402.14505	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43289	3.8
74.28263	3.8
79.05479	19.1
81.07058	5.0
82.13354	3.5
91.05473	17.2
93.07042	4.5
95.04958	8.2
105.07029	5.0
107.04946	41.5
115.05405	5.0
116.06238	6.6
118.64590	3.4
121.02880	4.0
123.04413	9.2
124.05206	8.2
125.06026	5.2
128.06245	6.2
129.06990	11.6
131.08574	16.8
135.11659	4.5
137.05940	6.3
141.07024	6.1
144.05724	11.1
145.06453	8.1
147.04398	6.7
151.07568	4.1
152.04639	5.5
156.05702	20.6
158.07298	4.4
159.08017	26.3
163.03822	3.9
167.07030	100.0
169.06331	5.0
170.07281	5.2
171.30116	4.0
177.05464	8.2
179.07036	4.6
181.04997	4.5
184.05418	4.1
186.06786	10.7
187.07477	11.2
189.07059	4.9
201.09155	5.9
202.06183	7.5
202.07826	5.0
203.08575	6.3
205.06737	4.6
205.08543	18.5
208.05212	24.7
208.08939	4.3
209.05945	4.7
211.07515	4.8
217.08528	37.4
218.07222	9.8
219.08052	17.2
219.10040	4.6
220.08730	8.3
221.06038	9.3
221.09467	4.3
229.08527	8.0
231.08008	8.2
231.10191	4.3
232.08931	4.7
233.09544	5.6
235.07533	5.7
236.04594	9.0
236.08360	4.5
239.06955	4.1
246.06683	4.4
247.07669	19.2
247.09586	24.3
248.08167	19.9
249.05301	5.6
249.09041	7.8
254.05782	7.2
255.06555	5.0
258.06738	4.5
259.07495	8.7
260.08252	5.1
261.09186	6.4
262.09836	10.8
263.06989	7.3
263.10641	15.6
264.07700	9.4
265.08539	10.8
267.06497	12.3
269.08179	26.3
271.09607	9.3
272.06781	4.4
275.07019	12.9
276.07819	15.6
277.08640	12.0
279.06308	4.2
279.10162	12.2
282.08905	14.5
290.09259	7.2
291.10077	30.0
292.07269	8.3
293.08029	16.3
299.09100	6.7
305.08133	4.6
305.11862	5.1
307.09589	17.0
308.10370	9.1
310.08344	9.4
315.08597	74.6
316.09048	5.7
319.09610	12.2
321.07520	9.1
323.12878	20.3
328.09375	8.5
330.10925	70.7
331.11591	15.1
336.10046	5.2
337.10757	12.0
339.12131	10.6
343.11746	24.2
351.12180	32.4
352.12881	6.8
353.10178	12.1
368.12564	11.9
369.13080	5.4
371.14709	6.1
383.14838	89.7
384.15424	8.3
401.10028	9.9
401.15894	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50248	0.5
52.29929	0.5
76.74043	0.5
87.78748	0.5
101.00828	0.6
116.49768	0.4
127.00047	0.6
159.88544	0.6
227.05200	1.1
271.04272	1.7
275.36237	0.6
297.16547	0.6
315.17770	3.1
318.58054	0.5
333.17749	0.6
357.18781	18.6
358.19034	1.0
401.17783	100.0
402.18204	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	401.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74976	0.6
56.15735	0.5
82.05366	0.5
82.75681	0.5
89.63308	0.5
89.96651	0.5
98.22616	1.2
102.06153	0.5
104.29653	0.6
106.75397	0.5
117.91424	0.5
138.52740	0.5
175.33099	0.5
219.80608	0.5
227.05344	1.1
229.03365	0.6
271.04257	2.2
289.05267	1.2
315.17773	2.4
339.17758	0.8
357.18805	21.0
358.18958	0.7
401.17798	100.0
402.18140	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	401.178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46210	0.4
59.55056	0.4
60.07282	0.3
69.30937	2.0
74.41727	0.4
84.49906	0.4
127.00008	0.5
209.45393	0.4
227.05165	0.6
227.54742	0.4
271.04242	1.3
278.82425	0.4
284.77103	0.5
297.16873	0.5
315.17700	1.9
323.08917	0.5
326.41983	0.5
357.18777	14.9
358.19003	0.8
371.05743	0.5
401.17767	100.0
402.18045	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	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01865	8.2
55.05503	9.9
55.19765	1.7
57.03428	5.9
57.07064	8.0
58.77876	1.8
59.05000	2.5
61.02927	10.5
65.03933	2.3
67.05492	19.6
68.99787	10.7
69.03423	32.7
69.07063	34.7
70.65068	2.3
71.01348	4.3
71.04990	27.7
72.08134	3.0
73.02899	3.2
76.37419	1.9
77.03926	1.9
79.05483	17.2
81.03413	24.9
81.07049	62.4
83.04958	5.9
83.08618	11.4
85.02902	48.0
87.00805	20.4
91.05469	20.6
93.07040	22.3
95.04969	13.7
95.08598	21.8
97.02876	22.1
97.06525	2.8
99.04428	6.3
99.08064	5.0
101.02390	3.0
103.03930	8.7
105.01858	12.6
105.07032	28.6
107.04943	8.2
107.08576	25.0
109.02842	16.9
109.06508	100.0
109.10148	26.5
111.04430	6.7
111.08055	3.4
115.03919	11.0
117.07008	8.8
119.03369	2.2
119.08552	31.3
121.06488	21.0
121.10114	16.1
123.04401	7.7
123.08080	11.2
123.11723	9.3
125.06030	1.9
125.09630	2.9
125.13280	10.7
127.03895	20.5
127.11186	10.9
128.06201	4.4
129.01842	10.7
129.06981	7.5
129.95738	2.2
130.07774	3.6
131.08543	14.2
133.06496	5.9
133.10103	12.9
135.08029	6.2
135.11650	10.8
137.05968	4.3
137.09589	14.5
137.13229	7.6
139.03947	2.4
139.11179	4.0
141.05531	2.5
143.08554	7.1
143.49681	2.1
145.02821	2.2
145.04968	5.6
145.06404	3.2
145.10095	16.1
147.02878	6.4
147.08032	9.4
147.11699	7.1
149.09590	6.9
149.13216	5.3
151.07484	4.6
151.11147	10.8
153.09102	2.4
153.12689	6.3
155.08549	4.8
155.10686	2.4
157.06476	2.8
157.10126	4.2
159.02849	3.6
159.07967	9.3
159.11681	9.7
161.09666	4.1
161.13232	2.6
163.03886	3.7
163.07539	3.5
163.11203	5.3
165.02446	3.3
165.09227	2.1
165.12775	12.2
166.03250	3.6
171.08055	2.3
171.11746	2.7
173.09608	16.7
173.13196	3.1
175.07487	4.0
175.11209	6.4
177.05441	7.2
177.12723	18.3
181.12216	4.2
183.11632	3.8
189.03929	6.0
189.12703	4.7
191.10652	8.1
193.08566	2.7
193.12234	10.6
194.02670	19.6
195.13799	35.9
196.14081	2.4
197.13264	3.9
201.03888	2.9
201.12773	6.0
205.12128	2.9
207.13863	2.5
215.14264	3.9
219.13683	10.5
222.02237	3.7
225.12666	2.1
231.04967	5.8
233.15211	4.3
237.14764	10.3
239.07156	2.4
243.13795	20.3
261.14871	23.8
263.07288	2.4
279.15799	3.9
347.14703	2.9
365.16058	4.8
383.17285	4.5
398.49908	2.2
401.17838	12.7
401.28317	2.2
402.06253	11.8
422.43539	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	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00787	3.5
55.01883	3.7
55.05500	8.9
57.03430	4.5
67.05502	4.2
69.03423	8.6
69.45911	13.5
70.06561	3.9
72.08152	6.3
73.31507	3.3
79.05463	7.1
81.03407	5.6
81.07047	4.6
83.04971	22.1
85.02901	10.0
86.09705	3.9
87.00819	5.7
91.05468	10.1
93.07031	33.1
95.04954	6.3
96.06866	9.4
97.02889	4.2
99.04450	16.5
102.95500	3.6
105.07024	48.2
107.04929	6.8
107.08547	4.6
109.02856	16.7
111.04462	4.9
119.08601	4.0
121.02849	5.1
125.07105	14.4
127.03887	18.1
131.04982	5.0
133.06488	63.8
133.10069	3.7
137.05959	100.0
143.08585	5.1
145.10129	4.5
150.06784	10.1
151.07504	4.9
157.08687	8.1
157.10091	7.0
163.07529	10.0
165.09073	39.4
171.07642	28.7
175.07536	13.1
177.09055	12.0
181.04962	5.8
183.06497	6.4
183.10176	10.6
201.07544	8.7
203.10657	8.9
210.14876	3.7
210.67584	4.3
211.15112	3.7
221.11696	17.5
239.12793	8.1
255.75047	4.6
257.13815	7.8
275.33084	3.7
347.14935	5.4
365.15884	62.1
366.16425	4.4
383.21753	15.9
401.13947	5.4
401.18430	5.0
401.22919	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	401.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
55.01858	3.5
55.05514	10.0
56.91195	1.7
57.03424	2.2
57.07071	16.5
61.02921	16.3
67.05489	17.9
68.99781	18.4
69.03425	23.1
69.07063	100.0
71.04984	4.8
73.02911	2.5
79.05496	13.4
81.03417	20.0
81.07050	96.5
81.16065	2.3
83.04958	3.2
83.08614	31.4
85.02898	28.0
87.00803	16.0
91.05475	6.2
93.07038	9.5
95.04945	2.7
95.08587	19.4
97.02888	13.9
99.04414	4.4
105.01859	5.9
105.07024	4.5
107.08590	8.6
109.02875	22.3
109.06470	1.9
109.10128	5.9
109.25672	2.3
111.04427	3.6
115.03921	2.6
119.08521	4.0
121.10133	4.0
123.11678	5.9
125.13259	59.1
127.03918	33.0
129.01807	19.9
129.06969	3.6
133.10089	2.6
135.11679	14.4
137.13225	18.3
145.10075	2.0
147.02893	14.8
151.11185	2.9
153.01787	2.0
153.12737	11.0
213.03998	5.2
243.13783	2.7
261.14755	5.6
297.16986	2.5
401.18027	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01868	6.4
57.03436	5.1
61.02915	5.1
65.27226	1.5
67.05503	5.1
68.99778	2.3
69.03429	22.2
71.04988	38.5
73.02915	3.2
79.05502	12.8
79.32547	1.6
81.03417	14.0
81.07055	13.4
83.04989	4.6
85.02898	35.2
87.00826	4.0
87.04469	2.0
91.05469	10.1
92.09440	1.6
93.07031	10.7
95.04986	9.2
95.08591	5.9
97.02890	10.9
99.04465	4.8
102.19565	1.6
103.03952	3.4
105.04436	1.9
105.07011	11.1
107.04958	16.8
107.08595	7.4
109.02882	2.5
109.06506	8.6
109.10146	3.5
115.05468	1.9
116.06272	1.6
117.07023	3.7
119.08575	12.0
121.06550	3.3
121.10144	4.2
122.03622	2.0
123.04430	16.0
123.08057	9.6
124.05221	3.1
125.09576	1.8
127.03934	6.6
128.06192	2.3
129.01773	2.7
129.06993	5.8
131.08525	11.8
133.06538	3.5
133.10127	5.8
135.08075	6.5
135.11678	3.1
137.09641	2.9
141.06990	2.5
142.07770	7.2
143.08615	2.7
144.05713	2.6
145.04945	3.5
145.06467	3.8
145.10117	6.0
147.04401	2.0
147.08046	2.0
147.11673	4.7
149.06024	1.9
149.09599	2.0
151.07529	84.1
151.11201	2.5
152.07938	2.3
152.50787	1.8
155.08556	2.3
156.05669	4.6
157.10101	10.6
159.08038	15.8
159.11699	5.1
161.09671	8.3
161.13242	1.7
163.03902	2.3
163.07562	3.6
163.11279	1.5
167.07037	34.6
167.08443	1.4
169.08600	100.0
170.08963	3.6
172.74707	1.6
175.11179	13.4
177.09125	6.3
179.07053	5.1
179.10699	5.4
187.07581	5.3
188.08328	2.8
191.10696	2.2
197.08049	2.2
203.08742	2.2
203.10641	59.7
204.11064	2.3
205.08521	4.5
208.05215	4.3
211.07558	1.9
216.99254	1.9
217.08592	9.3
218.07356	2.0
219.08165	4.1
219.10150	3.0
219.13701	2.6
221.11670	20.7
225.12650	2.9
229.08578	4.1
231.08046	2.8
232.08836	2.3
233.09668	2.6
236.08444	2.8
239.12744	34.3
243.13692	3.8
247.07469	5.5
247.09705	8.6
248.08324	5.0
249.09055	2.4
254.05756	2.9
261.09122	2.7
261.14792	2.2
263.10727	2.2
265.08481	2.5
267.06519	2.0
269.08051	5.5
271.09686	3.8
276.07922	3.1
279.10165	5.4
281.08228	2.3
282.08829	3.6
290.09094	1.9
291.10147	6.8
292.07291	1.9
293.07956	3.3
294.08688	2.9
307.09619	4.5
308.10120	2.2
310.08392	3.5
315.08609	20.2
316.08984	1.9
319.09698	3.4
323.12689	4.4
330.10971	20.8
331.11523	5.7
337.10623	3.1
339.12241	4.2
343.11728	7.3
351.12311	8.8
352.12582	2.3
353.10553	2.2
357.15070	2.5
368.12775	3.9
383.14877	23.3
384.15027	2.4
401.14642	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	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
55.01862	5.4
55.05504	10.0
57.07081	11.0
57.31548	2.1
59.08158	2.4
61.02909	3.3
67.05498	37.0
68.99768	3.5
69.03423	14.9
69.07061	21.0
71.01332	2.2
71.04970	2.9
71.40966	2.2
73.02898	3.4
79.05489	14.6
81.03401	8.9
81.07050	100.0
83.04977	16.3
85.02885	13.1
85.06531	4.5
87.00812	9.7
91.05467	10.1
93.07036	35.0
95.04958	15.9
95.08594	69.8
97.02877	11.3
97.06475	3.0
99.04475	3.9
100.70831	2.1
105.01855	3.1
105.06986	11.3
107.04951	2.9
107.08579	19.5
109.02888	5.3
109.06506	2.5
109.10152	21.7
111.04470	3.5
115.03922	9.2
119.08569	8.9
121.06479	3.2
121.10136	8.0
123.08071	3.3
123.11718	3.1
127.03905	7.4
131.08569	5.5
133.10143	3.7
135.08041	4.6
135.11681	13.0
137.09589	3.9
137.13243	30.2
147.11752	4.4
149.09604	4.2
153.12714	4.3
159.02953	3.6
161.09457	2.6
163.11162	3.2
165.09111	3.7
165.12723	9.3
177.09140	3.1
179.14328	3.3
195.13910	2.7
200.87907	2.2
202.65915	2.1
214.81746	2.6
243.13882	5.3
268.89371	2.5
383.16885	3.7
401.20270	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	401.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75353	0.8
53.03955	1.2
54.12613	0.9
55.05505	21.4
56.05828	1.1
57.07069	2.6
59.11013	0.9
67.05489	5.5
69.07059	3.4
69.23204	4.6
70.06584	3.8
79.05471	4.3
81.07038	13.3
83.04974	31.4
83.08588	1.4
88.07616	6.8
91.05468	9.5
93.07037	14.9
95.08592	19.0
98.22719	2.1
101.06020	1.0
102.09168	2.4
105.07022	15.8
107.08578	23.0
109.10148	5.9
117.07001	9.1
119.08569	15.1
121.10109	9.0
128.06204	1.2
129.07011	2.9
130.07802	3.9
131.08559	22.8
132.10225	1.4
133.10086	6.9
143.08617	3.0
144.09338	5.2
145.10103	49.8
146.10406	2.2
150.11240	1.2
157.10117	3.7
158.10895	1.6
159.11673	53.3
160.12070	0.9
171.11670	2.0
172.12460	1.1
173.13234	9.0
186.14099	1.7
201.16359	100.0
202.16650	5.7
236.37169	1.0
237.33104	0.8
284.69415	0.9
309.14948	1.3
338.34048	0.9
339.34686	2.0
356.26038	1.1
400.37711	4.9
401.27277	1.7
401.38058	12.8
402.39407	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	401.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03505	1.7
53.03936	4.1
55.05513	10.9
57.07055	2.6
61.75376	1.8
64.78208	1.8
67.05499	16.6
68.02567	2.0
69.03413	2.1
69.07059	14.9
70.50231	3.2
70.50552	2.6
71.04987	9.4
79.05481	23.1
81.07046	23.0
83.08601	6.1
91.05472	52.8
93.07034	46.4
95.04964	16.0
95.08596	22.4
97.06513	2.6
103.05459	3.1
105.07022	100.0
107.08588	41.2
109.06507	61.0
109.07222	4.1
109.10157	12.0
111.08069	9.3
115.05446	8.8
117.07006	25.1
119.08566	75.8
121.06499	3.0
121.10120	18.1
123.08072	4.6
123.11688	3.0
128.06233	13.2
129.06982	23.7
130.07779	9.0
131.08554	57.2
133.10120	74.3
135.08057	16.7
135.11699	17.6
137.09619	5.3
141.06995	8.6
142.07793	26.9
143.08551	43.3
144.09305	8.5
145.10110	92.4
147.08029	5.9
147.11673	12.4
149.09627	4.0
149.11383	1.9
153.07014	3.7
154.07753	4.5
155.08525	17.6
156.09343	18.6
157.10114	60.9
157.11391	4.2
158.10844	10.4
159.11661	31.2
161.09558	5.4
161.13310	6.4
165.07001	6.8
166.07813	5.0
167.08531	14.3
168.09299	4.7
169.10133	27.0
170.10892	10.6
171.11676	29.0
172.12386	4.4
173.09567	2.3
173.13240	35.6
175.11089	2.6
175.14832	9.3
178.07912	2.3
179.08524	12.3
180.09312	6.9
181.10100	14.7
182.10907	8.3
183.11688	21.4
184.12512	2.4
185.13239	14.2
187.11119	2.8
187.14804	33.5
189.12758	3.7
192.09322	5.8
193.10123	13.1
194.10907	9.2
195.11655	24.7
196.12392	7.0
197.13211	16.5
199.14804	17.1
201.12750	4.9
201.16336	3.4
205.10120	4.9
206.10941	8.6
207.11671	12.2
208.12283	3.2
209.13240	25.6
210.13943	2.8
211.11301	2.3
211.14789	11.3
213.12599	4.6
213.16455	2.7
215.14267	2.5
219.11624	4.3
220.12482	3.8
221.13213	13.5
222.14058	4.6
223.14827	9.3
225.16434	4.4
227.14224	3.3
231.11560	2.3
232.12494	2.4
233.13315	4.7
235.14828	6.8
236.15472	3.1
237.16241	7.0
239.17824	2.4
243.11696	2.4
245.13254	2.2
246.14124	4.0
247.14786	4.7
249.16370	4.7
251.17966	3.5
253.19510	2.6
259.14822	2.5
261.16342	5.3
263.17908	5.6
264.18817	2.6
265.19482	10.2
275.17996	2.7
277.19482	3.6
278.20309	2.6
279.17255	2.0
343.24078	4.5
358.26727	2.7
383.27170	3.4
401.28470	33.3
401.38019	7.5
402.28833	3.4
402.39105	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	401.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.0
57.07074	4.5
67.05490	10.2
69.07062	6.1
69.42847	6.6
69.43193	16.9
71.04968	5.2
72.04509	69.5
72.99877	5.6
73.04854	11.8
79.05482	16.5
81.07046	14.5
83.08652	4.2
88.02208	100.0
88.07609	7.1
89.02554	15.2
90.01796	4.6
91.05481	24.1
93.07028	25.1
95.04981	7.2
95.08608	13.1
98.23475	6.7
99.63999	4.1
103.00461	3.7
105.02431	4.2
105.07030	48.6
107.08569	18.3
108.22379	3.2
109.06493	31.7
109.10179	7.3
111.08099	3.9
117.07008	11.8
119.08571	41.2
121.10109	12.8
122.66838	3.4
128.06207	9.2
129.06969	10.2
130.07718	3.7
131.08546	38.2
133.10118	40.9
135.08075	7.7
135.11694	13.6
137.09598	6.3
142.07758	18.2
143.08569	26.2
145.10129	43.9
147.11690	10.3
155.08572	8.8
156.09349	14.0
157.10136	35.1
158.10838	6.8
159.11681	14.2
161.13171	4.8
167.08572	6.0
169.10103	11.6
170.10715	4.1
171.11670	16.5
172.12497	5.8
173.13252	20.8
174.10703	3.3
175.14777	7.8
179.08649	8.9
180.09303	3.6
181.10115	10.1
183.11667	11.7
185.13235	9.6
187.14825	15.0
193.10117	9.3
194.10905	6.2
195.11714	6.8
196.12408	4.5
197.13312	7.8
199.14824	10.0
201.12962	4.2
206.10864	4.9
207.11571	4.4
209.13269	10.0
211.14754	4.4
221.13199	5.3
223.14857	6.6
235.14804	3.5
237.16289	4.7
263.17914	4.6
263.33359	3.7
345.17188	9.7
393.14502	4.0
400.37894	8.5
401.23480	7.6
401.28079	18.5
401.37988	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	402.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11829	2.8
65.63500	2.7
67.05476	2.8
69.03427	5.2
71.05019	2.7
79.47044	2.5
85.02892	5.1
89.62230	2.7
95.01338	13.7
95.04968	25.1
97.02882	19.2
105.03390	5.5
112.16473	3.0
113.02363	10.4
120.05136	2.8
121.02852	3.2
123.00777	16.3
123.04433	17.3
125.02357	6.3
126.72781	2.4
140.04666	91.5
141.01839	10.3
143.03355	8.8
154.08629	3.6
155.07027	38.9
167.03391	4.3
169.01318	9.0
173.08086	6.9
181.04991	15.1
194.08269	5.4
199.06007	100.0
200.06384	3.1
217.19011	2.6
222.07617	6.7
346.20557	2.7
358.51596	2.8
373.44318	2.5
384.12445	2.9
402.14633	5.3
403.14655	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	402.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	39.1
65.03954	17.3
67.05458	14.8
69.03416	35.1
70.78417	17.5
71.05008	14.1
79.05478	58.5
81.03410	19.3
81.07053	23.5
85.02916	39.8
86.09698	17.4
87.00835	17.9
91.05472	78.7
93.07032	36.6
95.04974	25.3
97.02894	34.4
103.05417	15.1
105.01858	33.5
105.07044	94.5
107.04960	31.9
107.08548	19.2
115.05444	19.9
117.07014	35.9
118.82120	12.8
119.08569	48.0
121.02841	17.3
121.06454	26.9
123.04446	22.9
123.08063	19.2
125.05999	14.7
127.03882	17.4
128.06194	24.1
129.07005	44.2
130.07683	18.4
131.04919	24.4
131.08559	46.3
133.06465	27.0
133.10074	20.6
135.11708	17.3
137.05962	90.7
143.08548	56.9
145.06468	14.4
145.10136	100.0
147.08043	16.4
147.11719	12.3
151.03848	18.1
151.07518	19.7
152.07933	13.8
153.05426	18.7
155.08482	19.8
157.10115	27.6
159.11742	22.5
160.08403	14.7
161.09592	34.1
167.07022	59.8
168.07372	42.9
170.08974	17.5
171.11682	35.9
173.05957	13.2
173.09651	58.6
181.04922	51.5
185.13208	28.4
191.06931	16.4
191.10638	22.0
203.14394	13.9
207.78786	14.0
213.12704	31.7
219.13785	20.8
231.13791	53.9
237.08879	13.9
244.69273	13.9
248.07803	16.9
251.09117	16.2
264.07581	16.0
311.08746	18.3
316.08899	37.8
324.13016	16.3
331.11179	31.7
352.12698	32.5
384.15265	48.4
403.13724	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
57.07069	9.5
58.06591	0.7
67.18926	0.6
68.05014	0.9
69.19372	3.8
70.06586	19.8
71.08618	3.3
72.14762	0.6
84.08136	1.6
85.10189	1.6
86.09684	1.0
88.07619	19.0
96.08076	0.7
102.09167	1.1
106.08649	2.0
111.94233	0.8
114.09150	5.9
118.08644	1.0
127.03912	0.9
129.03580	0.7
132.10184	23.9
134.53151	0.6
138.96043	0.7
150.11232	18.5
183.02858	2.0
261.09158	0.9
326.34198	1.2
330.07098	1.2
340.35727	0.9
358.36676	4.1
362.37305	0.8
373.09116	10.7
388.11542	0.9
402.39352	100.0
403.13785	11.9
403.18799	0.4
403.39682	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	402.394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04999	0.3
57.07072	7.4
58.06604	1.6
58.06836	0.2
60.04515	0.4
68.05006	0.5
68.85111	0.3
69.07049	0.5
70.06586	17.1
70.67783	0.5
71.08627	3.3
72.08149	0.7
74.06115	0.4
76.31804	0.3
83.08588	0.4
86.09684	0.4
88.07624	23.0
89.07982	0.3
102.09171	15.5
127.42329	0.3
132.10184	1.3
146.11731	0.7
150.11227	0.7
183.02859	0.6
296.32990	1.0
340.35712	39.1
341.36102	3.2
373.09045	2.2
384.38403	2.6
402.39371	100.0
403.13840	2.6
403.39767	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	402.9829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74354	2.0
55.83030	2.4
62.63870	1.9
70.75489	1.7
70.75826	2.3
72.51842	1.6
76.32816	1.6
79.51013	1.6
82.50527	1.7
87.74762	1.7
88.35802	1.7
90.44598	1.6
94.93025	11.0
112.89600	2.5
120.96609	7.4
130.93295	9.3
136.94035	7.3
148.94278	3.8
150.91934	16.7
150.97636	3.4
164.93503	10.9
172.94337	6.8
180.98846	3.4
190.91385	9.7
190.95454	9.2
208.92480	3.2
208.96378	3.9
214.95432	2.3
216.96838	2.1
226.93486	4.3
232.96457	6.9
250.97498	4.0
262.90024	2.0
270.97672	100.0
271.98044	4.2
282.94922	2.1
283.00543	4.5
284.99225	6.3
300.95523	4.1
304.93130	44.7
305.93240	5.0
305.96414	2.3
312.98663	3.3
318.96555	6.2
340.97925	2.0
360.88223	1.9
402.98196	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31219	5.2
54.58247	6.2
56.96560	7.4
61.66032	6.2
67.92795	5.7
69.03422	9.7
70.06583	12.1
72.08150	14.0
81.03396	7.3
84.08155	7.6
85.02898	32.0
86.09686	20.8
87.00891	7.2
92.01255	6.5
97.02858	14.9
98.97571	11.9
105.01884	8.3
109.02933	6.2
116.98605	7.1
119.04947	10.1
121.10122	11.5
127.03935	16.2
129.01825	7.8
147.04398	14.1
162.12758	11.3
164.14397	7.8
175.03877	15.1
207.06494	30.1
219.01671	7.6
222.18430	15.0
225.07492	11.5
241.10457	11.5
317.09067	11.1
339.09039	9.9
359.10272	18.6
384.23660	13.4
385.14368	9.2
402.24838	13.6
403.09927	100.0
403.15518	98.2
403.20236	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	403.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32757	4.9
53.37962	5.3
55.01869	7.4
58.27119	5.2
62.83957	5.4
69.76784	22.5
75.03884	5.6
81.71782	5.5
90.37892	5.4
96.28537	7.0
98.23338	8.5
111.04491	6.9
121.02789	6.3
129.01863	6.0
130.48752	5.5
139.03873	16.9
141.05479	9.1
147.04478	8.8
155.08537	6.6
167.07092	7.4
181.06470	12.2
205.05067	12.9
209.09619	8.8
211.07619	14.3
212.04646	11.6
233.04485	21.6
237.05450	10.3
240.04160	10.1
245.04550	7.4
251.03471	9.8
255.06624	13.8
265.05014	7.0
265.08627	10.3
267.02740	9.9
268.03714	16.7
269.04459	14.0
282.05182	11.6
283.06079	15.5
283.09665	30.6
293.04468	9.5
295.02292	6.9
296.03174	22.7
297.03891	17.2
310.04868	28.9
311.05484	50.6
311.09210	19.1
317.59662	6.3
325.07053	22.0
339.04987	100.0
340.05441	9.8
343.08194	9.1
353.06525	98.6
354.07083	7.1
361.09036	12.8
371.07419	40.7
371.11237	6.3
385.09238	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	403.1385
Annotation	5,6,2',3',5',6'-Hexamethoxyflavone
Peak:m/z	Relative Intensity
60.15507	0.7
69.93581	1.6
69.93900	1.3
81.24026	0.8
85.68437	0.8
88.62376	0.9
96.22792	0.8
107.61703	0.7
129.01772	0.8
139.00275	1.0
153.01828	1.4
165.05447	4.0
178.06168	0.9
231.06577	1.3
238.06371	0.8
242.05754	1.0
256.07391	1.1
266.05817	0.9
269.04361	1.0
281.08176	1.4
283.06152	1.0
283.09726	1.1
284.06757	2.1
287.05438	2.3
295.05948	1.4
297.04086	1.4
297.07520	2.0
298.08685	1.0
299.05609	1.6
299.09106	4.2
302.07690	1.7
309.07535	1.6
311.05719	1.5
311.09064	1.6
312.06302	2.6
313.07181	1.2
313.10614	1.6
315.05045	2.3
323.05475	1.2
325.06989	1.2
326.07858	2.6
327.08667	6.5
329.06693	2.6
330.07361	4.9
339.08563	2.9
340.05627	2.0
340.09406	0.9
341.06570	1.8
341.10223	4.0
342.07037	1.1
343.07971	1.7
345.09662	4.0
354.07257	1.4
355.08102	8.1
357.05984	2.5
357.09857	1.6
358.06802	1.5
359.11414	1.7
369.09662	7.9
370.10495	3.3
372.08438	1.8
373.09146	37.6
374.09509	2.2
380.17343	2.2
387.10730	15.1
388.11383	3.4
403.13837	100.0
404.14325	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	403.1385
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
55.01867	31.8
59.35131	1.0
65.03932	4.7
67.05485	2.6
68.99792	1.0
69.03416	1.8
69.26704	4.1
70.06575	2.7
72.18710	0.8
77.03918	1.2
79.05482	2.1
81.07042	1.9
82.04148	1.1
85.02887	2.8
86.09687	2.5
91.05479	7.2
91.31613	1.0
93.03384	1.3
94.04156	3.7
95.04940	3.5
97.02875	2.2
97.06480	0.9
103.05460	19.0
105.07013	3.1
107.04935	4.0
110.03622	1.3
111.04375	1.2
112.23100	0.9
115.05437	3.7
117.07002	3.7
119.04932	2.8
121.06470	3.4
122.03643	9.6
123.04390	3.2
124.05171	0.8
125.05985	1.8
127.03868	1.0
131.03969	1.7
131.04915	23.4
133.06456	2.7
135.08060	1.6
137.05966	100.0
138.06241	2.4
140.54562	0.9
141.05305	1.1
145.06461	6.9
147.04367	3.9
149.05983	3.1
151.03902	12.3
151.05013	2.3
153.05412	3.9
154.06273	1.2
154.07619	1.0
155.05946	1.0
155.07079	1.2
159.04393	5.0
160.05144	1.1
161.05975	3.4
163.07494	4.2
167.07024	26.0
171.06482	2.5
172.05226	1.2
173.05957	6.7
175.03903	3.4
175.07494	1.3
176.04607	1.7
177.05440	8.5
179.06982	3.8
181.04945	45.7
189.05428	3.7
190.06215	1.2
191.06996	15.5
193.04977	1.6
193.08574	2.1
194.05669	2.8
201.05429	1.7
205.06619	1.0
205.08516	3.5
207.06525	6.1
207.13673	0.9
208.07202	3.3
209.08034	6.6
219.06459	9.6
221.08130	4.7
222.08778	1.2
223.09622	6.0
233.08073	5.7
241.10408	2.8
249.07574	1.5
250.06168	1.3
251.09143	27.9
252.09535	1.4
278.05698	2.0
279.06424	1.1
289.10733	8.1
323.09329	0.9
325.07312	1.0
330.15152	0.9
339.08475	2.0
373.12909	7.8
384.61407	1.0
385.08890	1.1
386.16547	1.3
393.09509	1.1
403.13791	33.8
404.14059	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	403.1384
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
55.01870	34.9
60.29276	1.1
65.03927	3.9
67.05495	3.1
69.03400	1.0
69.52879	1.8
69.53284	3.6
79.05440	2.2
81.07046	1.6
81.88061	1.1
85.02899	2.8
91.05463	3.9
93.03393	1.4
93.07037	1.2
94.04176	3.8
95.04948	4.2
95.08591	1.2
97.02882	1.6
98.23486	1.4
103.05466	20.6
105.04546	1.0
105.07018	2.4
107.04929	5.8
108.02087	1.4
109.06545	1.2
110.03651	1.9
111.04394	2.2
115.05455	2.5
117.07014	4.3
119.04940	2.2
121.06461	3.3
122.03633	8.9
123.04423	2.1
124.05153	1.3
125.05975	2.1
131.04916	25.4
133.06459	3.3
137.05966	100.0
138.06305	3.2
140.04733	1.0
142.02568	1.2
145.06462	6.5
147.04384	4.0
148.05260	1.4
149.05971	2.9
151.03909	15.7
151.05032	2.0
153.05453	4.8
155.05963	1.6
155.07062	1.4
159.03085	1.0
159.04350	4.8
160.05255	1.6
161.05954	5.7
163.07587	6.4
167.07025	26.1
171.06525	3.2
173.05984	6.7
175.03862	2.4
175.07549	1.8
176.04677	2.0
177.05482	9.0
179.07019	3.5
181.04939	47.1
182.05284	1.9
189.05455	3.1
191.07001	15.8
193.04979	1.2
193.08517	1.5
194.05725	2.6
203.07030	1.2
205.08582	4.2
207.04762	1.4
207.06470	7.3
208.07291	4.1
209.08023	8.0
219.06505	9.9
221.08096	4.2
223.09576	6.5
233.08084	7.2
249.07660	1.3
251.09142	33.1
289.10696	9.4
311.09286	1.1
327.12241	1.0
339.08618	1.3
349.39151	1.0
373.12680	7.7
403.13837	41.6
404.14276	2.0
416.26984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1387
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
55.01870	35.8
55.05495	1.3
59.41914	0.8
62.80232	0.7
65.03940	4.0
67.05490	1.7
69.03426	0.8
71.82304	0.8
77.03937	1.4
79.05484	2.1
80.82641	0.8
81.07015	1.0
82.04169	1.1
85.02892	2.5
85.99850	0.8
91.05477	3.1
93.03390	2.2
94.04180	5.0
95.04965	3.8
97.02890	1.8
100.11256	2.5
103.05465	21.9
105.04479	0.7
105.07019	2.3
107.04978	4.1
110.03664	1.9
111.04414	2.5
115.05456	3.6
117.07012	4.2
119.04945	2.3
121.06496	2.1
122.03658	10.4
123.00872	0.8
123.04422	2.8
124.05159	0.9
125.05959	2.2
129.01839	1.3
131.04916	26.6
133.06477	2.4
135.08032	1.6
137.05968	100.0
138.06284	2.2
145.06487	6.4
147.04434	2.3
149.05977	2.7
151.03899	13.6
151.05000	1.7
153.05452	3.9
155.05977	1.6
155.07053	1.8
159.04440	4.8
160.05070	1.0
161.05974	2.7
163.03896	1.2
163.07533	6.0
167.07033	24.8
168.07336	1.0
171.06543	3.2
172.05235	1.1
173.05971	6.2
175.03918	2.8
176.04784	1.6
177.05438	9.0
179.07031	4.5
181.04945	44.0
182.05376	1.2
182.15445	1.4
182.66975	0.8
183.06468	1.0
189.05458	3.3
191.07011	14.4
194.05772	3.0
196.07300	1.1
196.31680	0.8
201.05489	1.2
205.08635	4.0
207.06432	6.9
208.07101	2.3
209.08060	7.7
210.14861	1.2
219.06516	8.2
221.08028	4.0
223.09608	6.2
233.08020	5.9
234.00670	0.9
236.07141	1.0
249.07611	1.6
251.09145	25.0
252.09506	2.0
268.95386	0.9
274.01797	0.9
289.10672	7.7
369.35519	1.0
373.12808	6.9
403.13831	34.2
403.19089	1.7
404.14261	2.2
404.19571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1387
Annotation	Rubiginosin B
Peak:m/z	Relative Intensity
50.00750	2.2
55.01871	23.9
65.03939	5.6
67.05502	4.8
69.03415	4.3
70.73333	2.2
71.41782	2.7
72.08140	4.1
79.05511	3.4
81.03434	2.6
81.07063	2.6
81.68501	1.9
85.02885	2.4
86.09702	20.9
91.05464	7.8
94.04166	2.5
95.04949	6.2
97.02877	3.6
103.05461	28.6
105.07013	3.0
107.04953	7.7
109.02878	2.5
115.05460	3.6
119.04935	10.2
120.08085	16.1
121.06506	2.9
122.03622	7.0
123.04411	4.5
124.05222	2.7
125.05984	2.6
131.04927	38.3
137.05974	66.0
137.07008	4.4
145.06476	3.4
147.04419	14.9
149.05974	3.0
151.03914	100.0
151.05022	11.7
153.05470	5.9
159.04449	4.3
161.06001	6.6
163.03801	3.2
163.07558	5.5
165.05518	2.4
167.07036	41.6
171.06503	2.4
173.05968	3.6
175.03935	2.8
175.07542	3.2
177.05466	7.7
179.07030	16.4
181.04965	24.9
190.09703	2.1
191.06995	6.4
205.08604	8.3
207.06534	23.6
219.06551	9.7
221.08101	8.2
233.08064	3.7
235.09648	2.5
239.13797	5.5
251.06891	2.9
251.09167	10.3
289.10724	6.3
295.09415	3.3
307.09250	2.8
323.09131	9.6
325.10571	3.2
355.11633	5.6
356.48199	2.0
373.12872	5.4
385.08636	2.7
385.13010	2.4
403.13791	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	403.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69740	0.7
64.99157	0.6
67.19746	0.5
91.33650	0.6
104.99267	6.1
107.93935	0.6
121.61459	0.5
122.72363	0.6
124.59963	0.7
167.51607	0.6
183.02875	0.9
321.14578	100.0
322.14908	5.2
327.08472	1.0
339.15628	1.4
362.17130	2.1
373.09149	6.3
388.11386	0.7
402.31790	0.8
403.13846	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	403.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01866	1.4
55.05509	1.8
57.03422	1.0
57.07058	0.7
65.03942	0.9
67.05494	2.7
68.99786	1.6
69.03429	5.4
69.07057	1.8
69.15363	0.3
69.21246	2.1
71.04984	1.5
73.02907	0.4
79.05482	5.7
80.82634	0.3
81.03413	7.2
81.07048	6.5
83.01322	0.8
83.04965	2.5
83.08622	0.5
84.38586	0.3
85.02898	0.9
87.00826	2.7
91.05466	7.6
91.06052	0.4
93.07051	3.8
95.04958	3.7
95.08595	2.3
99.04450	1.2
103.05453	1.0
105.07025	7.7
107.04936	5.0
107.08582	22.2
108.08862	0.6
109.02867	10.3
109.03637	0.5
109.06511	2.8
109.10140	5.7
111.04452	0.4
115.05440	1.6
117.07008	2.3
119.06054	0.6
119.08571	3.9
121.06470	2.7
121.10133	10.7
122.07288	5.4
123.04439	1.1
123.08055	1.1
127.03902	31.2
128.04210	0.6
129.07050	0.4
130.07765	0.4
131.04944	0.6
131.08549	3.0
133.10115	100.0
134.10443	3.7
135.04454	0.4
135.08031	8.6
135.11682	1.4
137.06030	1.7
137.09601	57.0
138.09904	1.8
143.08543	1.0
145.10132	1.4
147.08044	0.7
147.11662	2.7
149.05962	0.6
149.09590	5.1
149.13240	9.5
150.82555	0.4
151.03830	0.9
151.11128	0.7
157.10110	0.5
158.10831	1.4
159.11703	0.7
161.05972	0.6
161.13261	0.4
163.07503	0.8
163.14799	1.4
167.07056	1.1
169.05099	0.5
170.94662	0.3
171.11726	0.7
173.05986	0.4
173.09581	0.5
173.13225	6.5
179.06993	0.6
181.04953	0.7
187.11063	0.5
189.12741	1.3
190.05179	0.4
191.14290	50.9
192.14610	2.6
201.12726	0.9
203.06912	0.4
203.14313	0.4
213.03908	10.6
213.12585	0.4
215.10870	0.4
218.56216	0.4
219.06274	0.4
219.53738	0.3
223.82622	0.4
227.14359	0.6
239.14354	0.4
276.30341	0.4
281.15277	0.7
299.16330	2.4
317.17389	2.8
335.18585	0.8
403.12845	0.7
403.17407	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.2
50.50790	0.1
51.02379	0.2
65.03930	0.5
66.04707	0.3
67.05488	0.4
69.35713	0.7
74.69878	0.1
75.04469	0.6
75.46677	0.1
77.03918	0.4
78.04317	0.1
78.04691	0.7
79.05486	1.8
80.06270	1.3
89.03908	0.4
90.04675	1.2
91.05473	5.4
91.06052	0.3
92.06248	0.2
93.03404	0.2
93.07030	0.5
95.04959	1.1
95.08639	0.1
98.23443	0.2
101.79695	0.1
103.05452	1.1
105.03408	0.6
105.04505	0.3
105.05486	0.3
105.07016	1.4
106.04166	1.0
107.04939	9.2
107.91822	0.1
108.05734	4.4
109.06528	1.3
114.22426	0.1
115.05407	0.8
117.07001	1.3
118.04163	0.8
119.04922	0.6
119.06009	0.2
119.08563	0.4
120.05702	0.6
121.02882	0.2
121.06496	2.4
122.03663	0.2
122.07280	0.3
123.04426	1.0
123.08090	0.6
124.05199	0.2
125.05930	0.2
128.06178	0.3
129.06998	0.5
131.04913	1.5
131.08589	0.3
132.05717	0.2
133.06476	1.7
134.03607	0.1
134.07195	0.3
135.04398	3.1
135.08035	1.4
136.05180	7.2
137.05963	3.2
138.06741	1.6
139.07510	0.5
142.07814	0.2
143.08513	0.2
144.05672	0.3
145.06458	1.5
146.07251	1.8
147.04367	0.4
147.08022	2.3
148.05164	8.5
149.06020	0.9
149.09570	0.4
150.06717	1.1
151.03914	1.4
151.07520	100.0
152.07846	2.8
153.05397	0.2
153.09084	0.4
157.06444	0.4
158.07167	0.6
159.08032	0.9
160.05167	0.3
160.08815	0.9
161.05960	4.0
161.09622	0.7
161.30661	0.1
162.06772	0.7
163.07512	5.0
164.08322	0.9
165.05490	1.2
165.09091	5.5
166.06236	10.6
167.07024	2.6
168.07715	0.5
169.08640	0.2
171.08009	0.4
172.08813	1.0
173.05994	1.1
173.09596	0.5
174.06696	0.7
175.07486	1.4
176.08313	2.9
177.05527	0.4
177.09087	9.8
178.09602	0.6
179.06998	0.9
179.10640	1.7
180.07845	0.9
181.08568	58.1
182.08910	2.1
185.09599	0.3
186.06699	0.2
186.10370	0.4
187.07515	1.1
188.08311	1.5
189.09079	3.7
190.09845	1.3
191.06938	0.4
191.10629	3.9
192.07755	0.5
192.11020	0.2
193.08568	2.9
193.43021	0.1
194.09343	0.6
195.10114	2.0
196.10388	0.1
201.09132	1.0
202.09885	1.2
203.06958	0.5
203.10640	4.2
204.07709	0.2
205.08704	0.7
205.12209	0.2
206.09361	0.4
207.10123	3.1
209.11708	0.5
215.10587	0.3
216.11397	0.6
217.08565	0.3
217.12204	2.0
218.09358	0.2
219.10109	0.6
221.11679	1.0
231.10040	0.2
232.10960	0.2
233.11678	1.4
247.13191	1.0
265.14197	0.2
305.19980	0.1
305.52731	0.1
321.14896	0.2
322.15579	0.3
323.15964	0.1
338.15222	0.2
339.15848	0.6
340.16711	0.2
353.17355	1.0
354.14059	0.2
354.18225	3.6
355.14828	0.2
355.18729	0.3
359.39874	0.1
370.17688	14.2
371.18137	1.2
385.20047	6.0
385.25052	0.3
386.20227	0.6
403.21118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77676	3.3
53.10500	3.0
53.71098	2.8
55.05515	3.4
57.07071	9.6
67.05500	38.7
69.03417	4.3
69.07053	5.2
70.06588	13.7
71.04989	6.1
79.05493	9.1
81.07056	15.5
85.06543	13.5
88.07603	15.7
91.05473	21.3
93.07060	16.0
95.04970	13.3
95.08581	8.9
97.06530	3.7
102.09165	10.0
103.05434	3.1
105.04471	3.7
105.07027	38.6
107.08586	13.4
109.06496	3.8
109.10133	6.5
110.85892	3.2
115.05399	3.9
116.06294	3.3
117.07018	10.8
117.30640	3.7
119.08571	17.2
121.06529	5.0
121.10139	3.1
128.06215	12.7
129.01831	4.2
129.06989	13.0
131.08556	24.5
133.10123	10.1
135.08034	8.0
137.09662	7.0
142.07788	8.4
143.08543	45.7
145.10086	41.0
147.08067	9.1
147.11703	5.9
149.09552	6.5
155.08577	11.4
156.09404	3.6
157.10126	22.0
159.11714	15.4
161.09589	17.2
161.13263	4.2
163.07526	3.5
165.05505	4.2
165.06960	3.6
169.10022	4.0
170.10866	4.6
171.08025	6.6
171.11710	5.9
173.09602	26.5
175.11259	5.2
183.02890	9.8
185.13240	24.7
187.11130	5.2
189.12717	6.3
191.10651	5.2
193.24585	3.7
195.11687	7.6
200.37849	3.6
201.12787	5.8
203.14285	12.7
211.02351	6.9
213.12711	25.0
229.88351	3.4
231.11530	4.9
231.13788	85.8
232.14009	4.4
242.08864	3.3
249.14900	5.7
301.07120	7.7
327.08630	9.3
329.06580	5.2
330.07401	5.3
340.35693	13.7
341.36008	20.0
355.08011	6.3
358.06787	4.2
373.09116	87.3
373.13867	4.9
374.09512	7.9
388.11566	13.4
402.39407	43.8
403.08783	6.8
403.13831	100.0
403.24878	3.9
403.39673	56.9
404.14206	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	404.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.7
68.03316	1.3
69.03435	6.7
69.66469	5.2
80.05022	2.1
85.02904	2.7
87.04465	23.7
91.05498	1.5
95.04967	12.2
104.04994	1.9
110.06028	3.8
111.04465	2.4
118.06521	5.0
120.08067	1.5
122.06018	3.1
123.04417	44.1
124.04805	2.6
125.04700	2.2
125.05954	1.7
130.06488	1.8
133.02847	6.7
133.06464	4.9
133.10164	3.4
135.03079	1.8
135.04384	1.8
136.07533	4.1
137.05984	2.2
138.05493	7.9
139.03883	2.3
140.07008	8.5
145.05225	2.2
146.06027	7.4
147.06734	2.5
148.03912	6.2
148.07532	3.0
149.04739	2.9
150.05495	11.3
150.09145	3.5
151.03918	3.4
152.07059	3.8
153.04257	1.7
160.07608	5.5
161.05934	3.8
162.05495	5.5
163.06265	6.2
163.07489	1.8
164.07056	3.6
165.04227	1.7
166.05037	4.5
167.05725	1.4
168.06557	23.2
174.05519	2.6
176.07068	4.8
177.07712	1.6
178.04987	17.5
178.08609	27.4
180.06512	15.1
180.10139	3.5
181.06819	3.0
188.07054	2.4
190.04971	35.4
190.08638	4.2
191.05656	5.2
204.06557	2.4
206.08102	31.6
207.08452	1.8
208.09674	18.0
210.86366	1.3
216.06517	2.6
218.08131	2.1
225.47986	1.5
234.07591	69.4
235.07973	3.2
236.09158	100.0
237.09433	4.3
252.06001	2.3
252.08662	46.7
253.09366	11.4
254.10217	23.4
256.05960	5.3
270.07605	2.5
282.07550	5.2
284.05460	2.1
285.06500	2.5
289.09045	1.7
299.07880	38.4
300.08643	39.9
301.08920	5.3
331.10043	4.2
340.11957	2.4
356.53760	1.6
368.11121	3.8
386.12314	92.2
387.12674	5.4
404.13049	11.5
408.74521	1.7
419.89548	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.4
53.38469	4.7
55.01862	10.7
55.64364	4.2
57.03426	11.5
61.02905	7.7
69.03422	40.8
71.42922	5.9
73.02900	7.6
81.03409	25.3
85.02896	100.0
87.00821	42.5
93.07064	6.4
97.02892	59.3
99.04445	18.2
105.01865	56.8
109.02845	28.7
121.06506	32.9
127.03914	70.5
128.04242	4.8
141.01625	5.9
145.04933	43.8
159.02884	14.0
163.03911	11.6
170.93802	4.8
185.80910	5.3
187.07492	6.9
189.03990	12.0
205.08585	6.6
213.03798	5.2
229.08598	8.6
231.04956	26.9
234.52811	4.9
236.47038	4.9
249.06107	7.1
252.08398	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	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01859	7.4
57.03431	4.6
61.02918	4.8
68.99777	2.3
69.03426	30.8
69.77338	1.1
70.71004	2.5
71.04984	3.5
73.02905	7.1
81.03405	22.6
85.02898	100.0
86.03234	1.6
87.00819	37.0
91.05440	2.7
93.07040	3.3
97.02880	27.7
99.04446	13.2
103.03939	2.7
103.05450	2.5
105.01140	2.8
105.01854	53.3
108.04469	3.5
109.02869	29.4
109.03519	0.9
117.01862	3.0
121.06499	32.7
126.05499	1.7
127.03903	65.6
129.01817	2.5
145.04942	28.5
145.06360	1.9
147.02858	3.2
154.53749	1.2
159.02873	15.2
163.07594	3.4
171.02658	1.4
187.07524	2.2
189.03908	13.3
205.08542	3.5
213.03926	2.6
219.87465	1.3
229.08601	3.8
230.06760	1.5
231.04967	17.0
239.55469	1.2
247.09653	4.9
248.07629	1.5
249.06047	5.2
347.57645	1.2
394.58154	1.2
404.15314	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.6
64.34003	0.7
69.13331	4.1
75.04476	2.3
79.05479	1.0
81.07092	0.7
83.65411	0.6
85.02898	2.6
86.54821	0.6
90.18291	0.6
91.05473	100.0
92.05808	2.6
95.01313	3.5
95.04964	0.7
98.22600	1.3
105.03388	0.8
107.04951	2.8
113.02368	1.6
119.04929	0.8
123.04454	0.8
131.03445	1.0
131.04904	0.7
137.02373	1.0
137.05980	7.2
138.06303	0.9
141.01801	4.6
141.43228	0.7
145.06422	0.7
147.55119	0.6
151.03935	1.0
161.05994	1.2
162.04218	1.5
167.06992	8.7
171.06479	1.1
173.06021	1.0
177.06577	6.7
181.04951	13.2
193.08583	44.0
194.08942	1.5
196.00565	0.8
209.09218	4.4
211.09637	14.3
221.08067	1.4
226.10820	0.8
233.08061	0.8
266.89383	0.7
337.75504	0.6
369.11841	1.6
387.14450	1.3
404.13965	1.1
405.16138	0.7
411.98489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22520	0.6
56.96288	1.0
56.96561	18.3
57.61026	0.6
71.10424	1.0
71.95247	1.5
84.96013	0.7
91.05489	0.8
94.04168	2.2
96.98412	0.7
98.97575	96.5
99.97910	0.7
114.99459	0.8
116.98611	67.5
122.03621	6.2
134.99652	30.8
137.05966	49.3
138.06264	1.8
140.00229	3.1
153.00731	3.2
154.52469	0.9
158.01270	2.4
179.00163	2.4
181.01810	0.7
193.01865	1.2
197.01176	3.3
198.02031	1.3
211.02681	1.7
215.02243	0.8
220.00424	2.9
224.09549	1.5
225.08011	0.6
226.11124	19.3
227.09529	0.8
227.11655	0.9
235.02759	66.6
236.03108	2.1
238.01530	3.4
241.03842	0.9
242.10518	1.7
244.12207	10.5
253.03821	100.0
254.04140	2.4
268.12198	3.8
271.04929	4.4
276.05408	8.3
280.12234	1.2
286.13208	1.2
329.12894	1.0
344.15375	6.3
362.16434	2.7
374.09518	0.8
404.17450	74.1
405.17715	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	404.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	7.0
58.97626	3.0
67.05490	17.0
69.03431	16.1
70.06611	3.5
70.59145	5.2
71.04996	9.0
71.78672	3.2
79.05483	11.1
81.03425	4.5
81.07047	4.3
85.02901	12.7
85.06542	41.7
87.04490	3.1
91.05481	12.8
93.07035	11.5
97.02888	100.0
97.06553	4.7
99.08054	4.0
105.07048	9.0
107.04969	9.1
107.08587	10.0
109.02806	2.9
111.04442	8.7
115.03931	17.3
117.03400	2.9
117.07064	4.2
117.89475	3.2
119.04923	8.4
119.08605	9.0
121.06509	12.3
121.10146	8.4
125.06048	4.4
127.03970	5.1
131.08551	39.9
133.10136	3.7
135.04434	4.9
137.05910	4.2
137.09612	4.6
138.03752	3.1
139.03915	4.2
143.03479	3.0
145.10101	14.1
147.04430	9.3
147.08023	3.7
149.09587	27.4
151.03865	5.8
157.52246	3.7
159.64098	3.0
161.04448	7.0
163.03885	10.5
163.11209	10.1
165.09123	5.7
167.07077	6.8
167.10666	20.3
171.11580	3.3
175.03909	21.3
178.08670	3.0
181.04932	5.1
182.08195	4.4
182.73712	3.2
191.10629	28.6
207.06487	26.8
209.11693	46.6
209.13501	4.5
224.09177	11.2
227.12775	54.3
233.07803	3.4
242.10713	4.0
340.08994	4.4
404.10968	5.0
404.16086	50.8
405.17191	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70112	0.9
55.05524	0.9
57.03429	0.9
67.05495	1.7
69.03425	2.4
71.04984	2.9
79.05475	2.2
81.03420	0.9
81.07060	2.1
85.02901	3.6
91.05467	1.5
93.07047	4.0
95.08599	2.2
97.02903	1.6
97.06487	1.3
105.07027	4.3
107.08607	2.4
109.10154	4.9
119.08598	5.0
121.06500	2.8
121.10141	7.6
123.11747	1.4
133.10115	1.9
137.06012	1.5
137.09604	10.8
145.04967	1.4
147.08080	1.8
147.11697	3.4
147.88196	0.8
149.09605	100.0
149.90639	0.8
150.09949	4.0
151.03918	1.0
154.08745	0.9
156.09337	1.2
161.09752	1.0
161.13245	5.8
163.31345	0.9
165.12784	1.9
171.11697	3.6
174.10425	3.2
181.05051	1.6
189.12738	26.9
190.13071	1.5
205.72549	1.0
207.13788	71.6
208.14207	3.4
239.08139	1.5
245.12880	1.9
246.91656	0.8
309.08667	2.0
327.09683	1.8
345.10742	4.8
373.10181	3.2
405.12869	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61670	1.7
56.03180	1.7
68.09069	1.7
69.03432	4.4
69.60946	8.2
71.04979	5.7
79.05480	3.1
81.03382	2.3
85.02898	7.8
85.74216	1.7
87.00786	3.1
91.05484	1.8
93.07049	4.8
98.23533	2.3
105.07033	4.3
107.08597	2.2
109.10147	3.0
119.08559	4.7
121.10117	5.5
121.73225	2.0
123.08072	2.8
127.03924	4.7
131.04929	1.9
131.08583	2.0
133.10101	3.7
137.06056	2.2
137.09587	14.4
147.11699	3.3
149.09605	100.0
150.09949	3.9
156.09343	2.1
158.41171	2.0
159.08078	2.0
161.13216	5.3
165.09016	2.2
171.11734	2.3
174.10419	2.6
181.04909	2.4
189.12740	26.4
207.13791	65.2
208.14180	4.5
209.04372	1.8
235.07869	1.8
242.08078	6.8
274.16806	1.9
294.07675	2.1
308.78503	1.9
308.82126	1.8
405.11639	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	404.9894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75774	7.7
69.76135	8.3
91.52879	3.6
102.62880	4.3
104.99264	59.2
120.96634	15.9
122.96435	5.2
145.27856	3.5
152.97424	6.1
154.18674	3.2
178.95012	5.9
198.98918	3.4
247.00334	9.6
260.39249	3.5
262.97861	100.0
284.96155	5.3
322.99039	11.4
339.05893	3.7
340.99954	8.6
418.83682	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	8.0
59.63018	7.3
69.03448	14.9
85.02893	30.7
87.00820	11.8
95.05019	7.5
97.02855	21.2
98.97557	43.5
104.99284	9.8
105.01879	14.6
110.97576	12.0
116.98602	24.7
121.02851	58.7
127.03925	17.5
128.04198	8.2
128.98540	8.8
145.04900	8.3
156.54065	7.9
158.99736	11.3
175.03958	8.7
175.21739	8.5
208.06772	14.3
237.02864	15.7
261.06345	9.5
279.07495	56.2
297.08691	11.8
299.10706	9.1
317.08432	20.6
321.08493	29.2
382.76065	9.1
405.10693	10.4
405.15482	100.0
406.15549	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
62.86600	0.4
66.61926	0.4
67.05467	0.5
72.16791	0.4
80.49802	0.4
106.06556	0.6
108.08128	1.3
137.05952	1.9
138.05507	0.5
139.11194	0.5
144.08060	0.6
148.07541	0.8
152.35988	0.5
153.05583	0.5
157.92581	0.6
160.03876	0.6
161.10779	0.5
164.07027	0.6
167.07213	1.1
168.08008	0.7
170.09654	0.7
172.07581	0.6
180.08012	0.9
181.04945	1.0
182.08336	1.1
183.09131	2.3
184.06142	0.8
184.07573	1.5
185.10797	0.9
187.08644	0.6
189.10266	2.2
193.07617	0.9
195.09158	0.8
196.06255	0.6
197.07079	13.9
197.10699	1.4
198.07571	1.0
198.09142	1.8
199.08617	2.9
202.08563	1.4
202.10828	0.6
207.09068	1.0
210.07811	1.5
211.05135	0.8
211.08650	13.8
212.07216	0.5
212.09293	1.6
213.10088	2.4
216.10089	0.7
222.07982	0.5
223.08623	1.0
224.09181	0.5
225.06583	21.0
225.10117	10.2
225.12450	0.6
226.06995	1.7
226.08749	1.4
226.10721	0.9
227.08099	3.0
227.11684	2.2
228.10165	1.7
229.06203	0.5
229.09749	1.9
230.10394	0.7
233.07906	0.5
235.08632	1.6
236.07068	0.8
236.09279	0.8
237.06480	0.6
237.10271	1.5
238.07169	0.9
239.04544	3.4
239.08118	32.4
240.08676	3.6
241.09720	1.8
243.07542	3.7
245.12825	24.9
246.13042	1.1
253.06117	1.7
253.09695	22.5
254.10378	1.8
255.07628	3.9
255.11226	4.6
257.05563	3.6
257.09183	10.4
259.10760	1.4
263.08139	1.0
265.09674	1.2
267.07623	20.4
268.08237	2.2
269.09067	1.3
271.07449	1.1
271.10739	12.2
272.11035	0.6
273.08661	2.3
273.12103	1.1
275.10373	0.7
281.05899	1.3
281.09164	19.9
282.09692	0.9
283.10669	2.6
285.08652	6.1
286.09424	1.8
289.11783	7.9
293.09143	3.8
295.07098	1.4
297.08646	2.3
299.06750	1.7
299.10211	34.5
300.10635	2.3
301.11838	2.1
309.08661	29.9
310.09106	1.7
311.10205	6.0
313.08176	1.3
317.07700	1.0
317.11310	3.5
327.09717	61.5
328.10172	3.1
329.11273	9.8
331.09399	0.8
337.08090	3.6
345.10779	86.6
346.11118	4.9
355.05212	0.4
355.09161	10.8
356.09668	0.8
369.10590	0.6
373.10269	100.0
374.10580	6.2
377.13443	0.9
387.11768	4.8
405.12903	14.8
406.13297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1542
Annotation	Nitidanin
Peak:m/z	Relative Intensity
52.92105	0.3
53.03924	0.4
55.01849	0.4
60.59908	0.3
65.03938	6.2
65.60942	0.4
67.05495	2.8
69.03397	0.7
72.19701	0.3
78.04688	1.2
79.05476	4.1
80.20970	0.4
81.03400	0.5
81.07050	0.7
82.04190	2.1
83.15643	0.3
85.02903	4.4
91.05458	1.1
93.03388	1.5
95.04956	2.9
95.86427	0.4
97.02868	0.9
97.06516	2.0
105.04484	0.6
105.07035	1.9
105.93070	0.3
106.04189	0.5
107.04947	8.4
108.02109	1.3
110.03651	3.2
111.04433	1.5
115.05463	2.1
115.76333	0.3
117.07026	1.7
118.76979	0.4
120.01997	0.5
121.06441	0.5
121.10107	0.4
123.00769	0.4
123.04406	3.3
124.05231	2.6
125.05981	2.4
131.04869	1.0
133.06485	2.9
137.05939	1.5
138.03059	2.1
142.02591	1.0
143.04919	0.5
144.05646	0.7
145.06436	3.4
146.03639	0.5
147.04373	0.5
148.03915	0.5
149.05942	0.5
151.03908	1.6
152.04648	1.4
153.05434	3.7
155.06035	1.0
159.04427	0.6
160.05130	0.3
161.05960	5.6
162.04205	0.9
163.03952	0.7
163.07512	0.4
166.02600	1.0
167.07016	49.7
168.07294	1.7
171.05257	0.6
171.06537	6.4
172.05211	1.1
173.05942	5.0
175.07516	2.1
177.06590	3.5
181.04932	100.0
182.05264	3.9
189.05431	3.6
189.07043	0.5
189.07579	0.4
189.09070	2.9
191.06999	0.9
193.08551	0.6
195.06386	0.4
201.05350	0.7
205.08575	3.5
206.05652	1.7
209.09241	1.3
214.30641	0.4
218.05751	0.4
219.06490	0.9
221.08044	7.9
226.10722	1.2
233.08047	8.8
251.09190	3.5
323.09079	0.7
375.14291	0.8
387.14346	6.3
405.15359	3.8
406.15350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45064	1.1
58.29723	1.1
65.03943	6.1
67.05495	4.7
69.03388	1.8
70.59479	1.6
70.59808	2.1
75.03996	1.2
79.05502	6.5
81.03400	4.5
82.04194	2.5
85.02880	5.8
91.05473	3.4
93.03396	1.6
94.04170	2.4
95.04949	4.6
97.02900	1.5
97.06508	3.0
103.05428	1.9
107.04949	16.1
108.02082	3.0
110.03666	3.4
111.04456	1.2
111.78120	1.2
115.05435	5.8
117.07002	3.3
119.08636	1.4
121.10139	1.1
122.03616	3.9
124.05144	1.4
125.05975	3.4
127.03918	1.5
128.06230	5.0
128.79680	1.2
129.06992	10.7
131.04913	2.0
131.08568	1.8
133.10129	2.4
137.05965	35.5
138.03111	1.7
138.06291	1.9
140.57224	1.2
143.04929	6.8
144.05751	2.0
145.06523	6.1
147.04431	1.6
147.07997	2.5
149.05948	1.9
151.03905	19.6
151.05037	2.5
152.04651	1.5
153.05475	7.4
157.06505	9.5
159.08038	1.8
161.05972	4.6
167.07043	36.4
167.08472	2.0
168.07353	1.4
171.04399	5.4
171.06555	8.0
172.05238	9.1
173.06029	2.9
173.13249	1.4
174.06734	2.6
175.07487	5.2
181.04947	100.0
182.05289	3.6
187.07492	4.5
188.04581	1.8
189.05446	3.8
189.07269	1.6
189.09030	8.7
190.06042	2.0
191.07025	3.6
193.04942	1.7
195.06506	2.4
200.04684	4.6
201.05489	2.7
203.06956	14.1
205.08572	4.4
207.10036	1.4
209.15375	2.3
218.05725	6.9
221.08067	7.2
233.08066	55.9
234.08385	3.1
245.08063	3.0
249.09084	1.3
251.09105	3.2
262.67487	1.3
263.06775	1.3
263.09171	8.3
265.08594	1.7
277.08408	4.2
279.06320	1.3
293.07932	2.9
301.07025	1.9
304.07544	1.6
305.08069	1.9
309.11136	2.7
323.70712	1.4
325.10696	3.3
337.10751	4.8
338.11298	1.6
341.13794	2.8
343.11850	1.6
351.12155	3.5
357.13272	8.9
369.13330	5.2
375.14569	1.5
387.14380	29.0
388.14566	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	405.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
62.14299	1.1
62.16445	1.2
65.03931	8.8
67.05502	4.3
67.42543	1.3
69.03420	2.4
77.03967	1.6
79.05499	10.3
81.03417	5.1
81.07047	3.2
82.04204	3.0
85.02907	5.4
91.05495	4.5
93.03410	2.4
93.07050	1.6
94.04187	3.6
95.04964	6.2
97.06501	3.0
103.05472	5.9
105.04543	1.6
107.04951	17.2
108.02110	2.3
109.06499	4.6
110.03690	2.3
111.04435	2.3
115.05473	5.8
117.07016	5.3
118.04180	1.3
119.04869	1.3
119.08566	1.5
121.06529	2.4
122.03648	7.7
123.04432	3.6
124.05228	2.0
125.05991	3.8
127.03912	3.0
128.06221	4.1
129.07002	10.9
131.04912	8.8
132.13318	1.5
133.06493	3.7
133.10167	3.2
137.05968	70.0
138.06314	3.9
139.07533	1.4
143.04924	5.5
144.05704	3.3
145.06442	9.7
147.08061	2.7
148.05241	1.6
151.03891	21.0
151.04999	2.8
151.07555	1.4
152.04668	2.4
153.05492	5.9
157.06430	9.0
157.10149	1.5
159.08156	1.8
160.05191	3.1
161.05974	6.0
162.09218	1.8
163.07550	6.1
165.05515	3.5
167.07021	41.7
171.04417	4.1
171.06483	8.2
172.05190	16.9
173.05989	4.2
173.13194	1.6
174.06749	2.0
175.07574	8.0
177.05478	2.2
177.09128	2.5
181.04939	100.0
182.05380	1.7
183.06526	2.4
187.07544	6.1
189.05486	4.9
189.09044	9.2
190.06239	2.3
190.08720	1.4
191.06996	9.0
193.04924	2.0
195.06528	2.8
197.08090	1.7
200.04736	6.6
201.05455	2.8
203.06985	13.6
205.08540	8.8
206.05632	2.7
211.05949	2.0
217.08795	1.7
218.05673	11.0
219.08134	1.7
221.08012	9.2
223.07407	1.5
231.06192	1.7
233.08064	99.7
234.08392	4.8
235.09642	2.1
236.09293	2.1
247.07632	1.7
248.08177	2.4
249.09123	2.4
251.09218	4.5
258.07404	8.0
263.09106	14.5
265.08685	1.8
277.08585	3.0
293.07779	1.7
294.08853	2.1
297.11356	2.2
307.09726	3.2
309.11230	4.1
313.08078	2.9
324.09778	1.5
325.10645	2.7
331.09198	3.3
337.10657	5.4
338.11337	1.7
339.12311	1.9
341.13852	3.0
351.12115	2.9
357.13245	9.8
369.13535	6.8
375.14581	1.9
387.14297	30.1
388.14551	2.7
406.14746	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	405.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82359	3.1
55.01867	7.1
55.05508	48.8
57.07073	6.1
57.69256	3.8
65.03922	8.1
66.27518	3.2
67.05500	73.4
69.07066	39.1
69.25571	22.4
70.06577	12.5
71.04993	8.7
79.05482	59.1
80.65405	3.2
81.07050	81.9
83.04985	5.8
83.08622	39.6
88.07634	4.3
91.05478	84.8
93.07042	55.4
95.04974	14.8
95.08595	43.2
95.96715	3.2
97.06520	8.8
97.10156	10.5
99.08103	4.1
103.28973	3.9
104.06228	4.0
105.04502	4.2
105.07021	65.9
107.04952	12.1
107.08579	22.4
109.06534	4.7
109.10145	14.7
111.08056	12.8
115.05442	7.4
117.07014	61.9
119.04921	5.0
119.08568	30.8
121.06505	10.1
121.10141	20.8
123.07968	3.8
125.09570	5.2
128.06227	18.7
129.06989	64.4
131.08556	100.0
132.08865	4.1
133.06476	11.3
133.10114	14.4
135.08005	6.6
135.11674	12.8
139.11203	6.9
141.06960	15.2
142.07756	4.3
143.08562	47.8
145.06438	4.7
145.10092	29.3
147.08029	10.0
147.11658	9.3
149.09621	10.0
154.07697	5.3
155.08531	33.6
155.10428	4.3
157.10103	16.4
159.07996	8.3
159.11629	21.4
161.00797	3.3
161.09520	5.7
163.11250	7.8
166.07848	3.6
167.08504	17.5
169.10115	15.2
171.11693	14.1
175.09599	5.0
177.12793	5.0
179.08565	7.4
181.10083	18.0
183.11623	12.0
185.09619	4.2
185.13274	12.3
193.10175	6.8
195.11679	16.8
197.13257	10.2
199.14789	5.9
201.12701	4.7
202.80148	3.4
203.12617	5.3
203.78191	3.6
206.38428	3.6
207.11765	4.3
209.13266	8.3
211.14772	7.2
213.12726	8.4
216.51744	4.6
219.13895	4.3
221.13261	16.9
223.14738	12.6
225.01299	4.9
225.12637	3.6
233.15378	17.0
235.14882	7.1
239.14256	8.0
241.07069	4.2
241.15872	5.5
245.15294	3.9
256.26376	7.1
257.15338	10.2
259.17023	5.5
271.16992	8.4
275.16388	5.4
278.63843	3.8
300.29169	17.3
320.31992	3.7
323.23795	7.2
333.22052	14.0
341.24698	12.0
344.31561	5.8
345.25415	3.7
351.23105	39.2
359.25830	6.4
369.24249	32.8
387.25363	38.6
405.26428	4.7
406.35205	44.7
428.93259	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44237	0.5
56.96556	10.5
70.06579	1.4
70.98085	0.6
75.54020	0.5
78.36448	0.5
84.08128	1.6
98.97572	100.0
99.97881	0.7
116.98608	53.6
134.99641	18.5
140.00188	0.7
153.00700	1.0
155.35983	0.6
158.99637	36.3
172.94359	0.6
177.00691	42.1
178.00951	1.0
182.03484	0.6
182.04843	3.5
195.01691	2.8
200.02342	0.7
200.05920	13.9
201.06430	0.7
218.06975	2.4
219.01770	5.2
226.03912	0.7
226.93031	0.5
228.05244	0.6
242.06961	12.8
244.04945	1.5
269.03329	1.1
287.04324	1.3
346.08087	0.8
364.09128	2.1
407.15259	3.0
422.09976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09831	0.7
57.10281	0.7
59.80577	0.9
65.58038	0.7
75.04475	100.0
76.04767	1.0
79.05484	1.1
120.08101	2.2
123.04417	1.7
137.02342	1.6
137.05988	1.9
151.03909	2.2
151.07581	1.0
162.05510	2.8
163.03886	1.1
166.05040	0.8
169.55661	0.9
175.02678	1.0
176.07114	0.9
178.05032	1.0
179.07097	0.8
182.08090	4.1
190.04991	1.1
192.06528	1.8
194.08141	1.6
195.37094	0.8
210.07565	1.8
222.07613	6.7
224.09225	0.8
226.08598	1.3
250.07135	6.2
251.58508	0.8
253.07326	1.1
254.08133	2.2
257.06638	1.3
268.06079	1.2
270.07690	2.7
271.08447	1.1
272.09174	4.3
282.07523	1.0
283.04855	2.7
283.08231	1.3
284.09152	1.2
285.06482	0.9
286.07428	1.2
286.10693	2.2
296.11548	1.1
297.09891	1.0
298.07196	2.5
300.08612	4.1
302.10193	1.9
314.10184	12.0
315.10629	1.3
316.08325	0.9
327.07227	1.1
328.11670	3.7
330.09668	8.7
332.11450	1.4
342.09692	23.0
343.10159	1.7
346.12866	2.4
356.11267	2.8
374.12335	10.4
406.14951	35.2
407.15149	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	406.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09831	0.7
57.10281	0.7
59.80577	0.9
65.58038	0.7
75.04475	100.0
76.04767	1.0
79.05484	1.1
120.08101	2.2
123.04417	1.7
137.02342	1.6
137.05988	1.9
151.03909	2.2
151.07581	1.0
162.05510	2.8
163.03886	1.1
166.05040	0.8
169.55661	0.9
175.02678	1.0
176.07114	0.9
178.05032	1.0
179.07097	0.8
182.08090	4.1
190.04991	1.1
192.06528	1.8
194.08141	1.6
195.37094	0.8
210.07565	1.8
222.07613	6.7
224.09225	0.8
226.08598	1.3
250.07135	6.2
251.58508	0.8
253.07326	1.1
254.08133	2.2
257.06638	1.3
268.06079	1.2
270.07690	2.7
271.08447	1.1
272.09174	4.3
282.07523	1.0
283.04855	2.7
283.08231	1.3
284.09152	1.2
285.06482	0.9
286.07428	1.2
286.10693	2.2
296.11548	1.1
297.09891	1.0
298.07196	2.5
300.08612	4.1
302.10193	1.9
314.10184	12.0
315.10629	1.3
316.08325	0.9
327.07227	1.1
328.11670	3.7
330.09668	8.7
332.11450	1.4
342.09692	23.0
343.10159	1.7
346.12866	2.4
356.11267	2.8
374.12335	10.4
406.14951	35.2
407.15149	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	406.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47783	0.5
62.05073	0.5
69.12874	2.7
69.13280	1.3
75.04476	100.0
76.04827	0.9
79.05489	0.8
81.85463	0.6
91.05494	0.8
95.04962	0.8
101.39670	0.7
121.06487	1.3
123.04431	1.0
131.24435	0.6
132.04459	0.7
133.02882	0.8
134.06027	1.1
137.02339	2.6
137.06003	1.6
146.06062	0.6
150.05455	0.8
151.03909	1.7
153.05472	0.7
162.05461	3.0
164.07037	0.9
166.05032	0.8
175.02573	0.9
178.04996	1.0
181.07375	0.5
182.08076	3.1
190.04988	1.4
192.06581	1.5
193.07481	0.6
210.07565	1.5
222.07594	5.5
225.07959	0.8
226.08749	0.8
240.06500	0.7
250.07083	7.3
253.07425	0.8
254.08121	2.8
256.06152	0.8
264.08789	0.8
268.09662	1.1
269.10529	0.9
270.07706	1.4
271.08292	0.8
272.09152	3.1
282.07651	1.7
283.04840	1.9
283.08365	1.7
285.09769	1.1
286.07651	1.0
286.10760	3.2
286.46463	0.7
288.08725	0.6
296.08862	1.1
297.09937	1.7
298.07080	2.6
298.10388	0.8
299.07910	2.0
300.08652	4.6
300.11801	1.1
302.10126	1.4
310.06857	1.6
312.12228	1.3
313.09439	0.6
314.10236	11.3
324.08609	0.8
327.11008	0.9
328.11700	2.8
330.09674	6.8
342.09680	19.8
343.10086	1.3
346.12817	3.2
356.11401	2.6
374.12320	8.5
375.12997	0.6
403.16220	0.7
406.14941	29.5
407.15268	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	406.1495
Annotation	Isonaamidine D
Peak:m/z	Relative Intensity
71.42639	0.4
75.04475	26.2
83.70406	0.5
116.80378	0.4
123.11696	0.6
132.39864	0.5
133.02824	1.5
173.60510	0.4
193.97252	0.4
210.62341	0.6
226.68137	0.4
255.05229	2.9
258.04044	0.6
272.05466	1.2
273.06262	1.9
284.05518	0.7
286.03406	2.4
286.06961	1.2
287.04135	0.7
301.05774	24.0
302.06387	3.0
316.08124	67.2
317.08511	5.1
325.10590	0.7
332.11368	2.7
344.07458	0.8
344.11374	0.8
354.66260	0.5
389.08105	0.4
406.14917	100.0
407.15323	8.0
407.20645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
55.05512	1.8
56.05033	5.4
57.03438	5.2
58.99582	12.5
61.01138	1.1
61.14382	0.8
68.05016	1.4
69.07043	1.9
69.14087	4.6
72.10216	0.8
72.21256	0.8
73.01135	1.9
74.00655	2.0
76.02223	21.0
76.02655	1.1
76.03998	2.1
79.05485	4.5
80.05022	1.4
81.07049	21.0
83.06108	2.4
84.04018	1.5
84.04504	24.1
84.38374	0.7
85.01131	2.7
85.02895	1.2
85.06543	0.9
86.00644	4.9
86.99051	6.4
87.02693	6.4
88.02199	1.7
89.76611	0.8
93.07026	0.8
95.04992	1.0
95.08601	2.9
96.08165	0.9
97.06566	1.7
98.09685	12.0
99.05544	0.9
99.08084	3.8
102.05562	4.4
105.07008	1.7
110.09644	2.4
111.53159	0.8
112.03986	4.1
113.04221	4.9
116.01671	22.7
122.09654	2.4
123.08025	0.9
127.05783	1.1
129.06587	1.8
130.05013	6.5
130.05829	1.0
130.06848	4.6
130.08612	1.7
139.05742	2.1
142.03273	2.0
143.02765	1.1
144.01140	8.0
145.05983	1.3
156.08426	17.8
156.10182	11.2
157.06825	9.5
162.02197	20.3
174.09471	13.8
175.09885	1.0
179.04816	10.1
181.06070	0.9
189.03355	1.4
194.13440	0.8
209.11731	1.2
210.11241	2.9
215.04668	1.3
216.06902	7.4
227.12770	1.4
233.05898	1.5
245.05980	1.2
259.11102	100.0
260.11676	4.2
277.11996	1.1
285.12555	1.8
313.12122	3.6
331.13223	6.9
349.04272	0.9
388.15387	2.4
389.13605	1.1
406.16129	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	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09512	3.1
55.51469	3.5
62.11992	3.9
67.05498	11.7
69.03424	8.7
70.66378	4.7
71.04977	9.6
79.05482	11.5
81.07069	4.4
85.02899	18.9
85.06539	80.3
85.11339	3.9
85.27206	3.4
89.02933	3.9
91.05508	10.4
93.07047	12.0
96.01881	3.4
97.02880	5.4
99.08087	5.5
105.07012	12.7
107.08579	15.6
110.62662	4.0
111.04420	4.9
119.08582	13.5
121.06500	7.4
121.10142	14.7
125.06004	4.5
129.06981	4.8
131.08553	47.5
145.05037	4.2
145.10114	19.9
147.07990	3.8
149.09616	46.4
163.11211	18.5
165.09091	5.1
167.10678	26.2
173.09625	3.9
175.68176	3.7
191.10657	52.3
209.11726	83.6
227.12769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40884	2.6
55.01855	3.0
55.05511	4.2
57.03433	3.2
61.02898	3.3
69.03434	5.3
69.07068	9.1
69.64948	8.7
71.04976	11.4
79.05479	15.8
81.07069	3.2
85.02906	23.8
91.05477	4.9
93.07047	16.9
94.82470	2.5
95.04955	4.6
95.08620	3.2
97.02908	8.4
98.22654	3.4
98.89809	2.7
105.07034	12.1
107.04948	7.1
107.08573	18.7
111.04458	3.5
115.05472	3.1
117.07015	3.4
119.08586	4.6
121.06516	19.9
121.10155	13.6
123.65961	2.4
124.39850	2.3
131.08546	38.1
133.10120	3.6
135.11702	3.4
139.87462	2.4
144.02150	3.6
145.10086	18.4
149.09604	36.9
153.05475	5.1
163.11172	13.9
167.07104	5.1
187.14842	3.0
191.10661	23.7
203.13828	2.7
209.11716	100.0
210.12019	4.0
227.12758	20.8
244.09668	3.6
294.98245	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98436	1.3
51.24081	1.4
55.05513	1.6
57.03425	2.1
59.05001	1.6
61.02923	1.6
61.29425	1.3
67.05492	4.2
69.03416	4.9
69.07056	2.7
69.43118	5.0
69.61624	1.6
71.04972	2.1
77.90495	1.4
79.05447	2.0
81.03384	1.8
81.07044	3.1
83.04965	4.0
85.02896	12.6
85.06561	1.5
91.05488	3.7
93.07067	7.8
95.08594	13.5
97.02892	2.9
97.06517	5.9
98.22691	1.7
99.08058	1.6
105.07041	2.8
107.08596	9.2
109.10136	5.6
119.08585	2.4
121.10136	10.0
127.03895	2.2
131.08589	7.5
133.10117	100.0
134.10434	4.4
135.07983	2.5
145.04961	4.5
145.10052	3.6
147.11652	4.3
149.09627	4.7
149.13234	4.7
151.11165	20.2
158.10910	2.5
163.06058	1.7
163.14841	6.2
168.07368	1.5
173.13235	33.8
174.13649	3.2
191.14299	54.9
192.14638	3.0
209.15343	24.2
216.56853	1.7
222.70198	1.6
377.54602	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50047	2.4
67.05473	2.5
67.99210	2.4
69.03413	4.5
69.79160	4.3
69.79543	7.1
73.18900	2.8
74.36290	2.2
81.07033	2.8
83.04951	3.6
85.02900	11.9
91.05450	3.9
93.07050	6.0
95.08583	15.8
97.02891	3.6
97.06525	5.2
100.38380	3.1
105.07013	5.2
107.08573	7.9
109.10146	3.2
119.08558	4.3
121.10133	6.4
122.59483	2.3
127.03834	2.9
131.08571	5.3
133.10110	100.0
134.10451	4.1
135.08017	4.7
145.05080	2.7
145.10071	5.1
147.11678	5.2
149.13269	6.0
151.11162	23.1
158.10953	3.1
163.14769	6.6
163.79285	2.5
173.13245	30.6
191.14291	55.2
209.15346	28.3
270.56583	2.2
396.07422	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	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	7.3
61.02921	4.8
63.54462	3.8
67.05492	7.7
68.44753	4.0
69.03398	6.7
69.42745	18.6
71.05016	4.7
73.25829	4.5
74.84644	3.8
78.19032	3.4
79.05485	6.7
80.27736	4.0
81.03384	4.0
81.07053	16.6
84.04524	7.1
85.02879	27.3
91.05480	9.9
93.07043	16.9
95.08590	31.2
97.02892	5.6
105.07011	24.2
107.08583	23.0
109.02878	7.2
109.06519	5.2
115.07597	5.6
116.01682	8.2
117.07008	5.6
119.08563	16.8
121.10172	10.6
123.08044	5.3
123.11799	3.9
127.03923	8.4
131.04662	4.0
131.08574	20.5
133.10114	23.4
135.08089	4.2
135.11676	10.8
145.02882	7.6
145.04941	6.1
145.10112	15.6
147.04500	7.8
151.07515	4.1
156.08466	5.3
158.10930	14.0
161.13272	14.3
163.14793	14.6
167.07008	4.9
173.13234	100.0
174.13510	6.2
181.04944	8.6
182.05270	7.1
183.08495	4.5
191.14301	70.5
201.46129	4.2
209.15347	17.7
223.08739	4.9
227.16473	31.0
228.16721	4.8
241.09683	7.5
249.09425	5.7
251.08188	5.6
259.11133	24.4
265.09821	23.7
269.09177	8.9
279.07654	5.2
293.09146	17.0
297.08627	8.2
311.10287	24.9
315.09589	6.0
321.09158	11.5
329.11234	11.9
338.75626	5.2
339.09790	15.3
357.10706	12.6
363.10498	49.1
389.13345	18.8
396.12024	4.4
407.09451	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99845	1.2
68.98257	0.8
69.03448	0.6
70.24034	0.9
70.99844	0.8
77.00888	1.5
81.03401	1.8
82.58585	0.4
82.99790	3.0
86.99329	0.9
89.00889	0.8
94.99763	2.5
97.01406	0.9
101.00873	26.3
102.00954	1.2
102.34763	0.4
103.02400	0.8
104.99258	0.9
105.00365	1.2
105.09582	0.5
113.00855	10.3
115.02421	5.8
118.01096	0.5
119.01910	46.0
120.02003	1.7
120.96632	0.6
125.00815	0.7
127.02406	6.8
128.02542	0.4
128.26091	0.4
129.03958	1.2
131.01895	37.0
132.01990	1.5
133.03458	6.6
136.85416	0.4
137.02943	5.0
139.02400	2.9
141.04092	0.5
143.01889	37.0
144.02008	1.3
145.03453	29.9
146.03561	1.4
147.01419	2.5
147.05090	0.5
149.02954	5.7
151.02376	0.8
151.04497	0.5
151.16162	0.4
153.03986	0.6
155.01878	73.3
156.02005	4.3
157.03458	20.9
158.03659	0.6
159.01396	0.8
159.04982	0.9
160.02187	0.7
161.02945	42.8
162.03050	2.4
163.04498	4.1
165.96643	0.5
167.01875	6.7
168.01981	0.5
169.03459	17.3
170.03625	0.9
171.01404	2.4
171.04982	3.6
172.02208	0.5
173.02946	100.0
174.03084	5.9
175.04494	4.4
177.02477	0.9
179.01927	2.7
179.03973	1.6
181.03474	3.1
183.05020	2.0
184.04471	0.4
185.02936	42.8
186.03114	2.2
187.04518	16.7
188.04668	0.8
189.02490	1.2
191.01875	0.4
191.03967	1.6
193.03481	0.6
195.05011	0.9
196.04553	2.0
197.02936	16.7
198.03220	0.6
199.04546	5.0
201.06148	1.0
202.03229	0.9
203.03992	31.0
204.04181	1.6
205.05470	0.5
209.02931	4.3
211.04486	3.1
213.06064	1.1
215.03990	17.7
216.04210	0.8
217.05545	1.5
219.02029	0.5
221.02876	1.6
221.05046	2.6
223.04462	1.4
227.03973	9.2
228.04169	0.8
229.05524	2.3
233.02892	0.6
233.05075	1.3
235.04515	0.4
239.03975	4.1
241.05499	0.5
245.05032	34.8
246.05258	1.8
251.03964	0.7
257.05051	26.8
258.05347	1.5
259.06555	0.5
261.02972	2.1
262.05350	1.7
262.97797	1.9
263.06097	12.6
263.97849	0.4
264.06284	1.2
264.97626	3.0
265.00101	1.0
269.04965	2.8
271.06665	1.2
275.06155	4.5
283.01227	3.8
284.01373	0.5
287.06082	13.9
288.06430	0.9
289.07663	1.5
293.07190	3.7
299.06097	1.6
301.01050	0.5
305.07184	2.6
317.07013	2.5
329.07126	2.0
347.08194	92.8
348.08426	8.0
365.09277	20.6
366.09521	1.6
407.10867	13.2
408.10339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99841	0.7
68.98285	0.8
69.03437	0.4
69.31344	0.9
69.31713	2.0
70.99841	0.6
77.00893	1.1
81.03432	2.0
82.99792	2.4
86.99311	1.0
94.99768	2.6
95.01897	0.5
97.02852	0.6
98.23450	1.0
101.00870	20.8
102.00942	1.2
103.02468	0.7
105.00359	1.3
113.00864	9.0
114.00900	0.5
115.02424	5.9
119.01909	46.6
120.02035	1.9
121.89120	0.4
127.02406	6.0
129.00356	1.1
129.03918	0.8
131.01895	37.9
132.02008	1.4
133.03464	7.3
137.02936	4.4
139.02376	2.6
142.01070	0.9
143.01884	33.4
144.01894	2.0
145.03447	28.5
145.04393	0.4
146.03578	1.2
147.01385	3.6
147.04994	0.5
149.02943	4.5
151.04520	0.9
153.00357	0.5
153.04021	0.5
155.01874	71.1
156.02023	3.9
157.03448	20.0
158.03587	0.9
159.05034	0.7
160.02132	0.6
161.02945	44.3
162.03122	2.5
163.04512	3.5
167.01881	7.6
168.04980	0.6
169.01982	0.9
169.03441	17.0
170.03572	1.1
171.01303	2.1
171.04945	2.7
172.02110	0.4
173.02943	100.0
174.03098	5.2
175.04514	4.8
177.02455	1.3
179.01830	1.8
179.04019	1.3
181.03455	2.8
183.04965	2.5
184.51416	0.5
185.02939	40.1
186.03131	2.4
187.04509	16.9
188.04770	0.9
189.02473	1.5
191.03947	0.9
193.03372	0.8
195.05002	0.6
196.04556	1.3
197.01128	1.0
197.02943	18.9
198.03185	1.0
199.04497	5.3
201.02475	0.5
201.06044	0.8
202.03258	0.7
203.03987	31.1
204.04160	2.0
205.05481	0.8
209.02939	4.4
211.04520	3.3
211.52005	0.6
213.05983	0.8
215.03989	17.9
216.04204	1.0
217.05489	0.9
219.02132	0.6
221.02942	1.1
221.05063	2.4
223.04515	1.8
227.01868	0.8
227.03989	11.5
227.51866	0.4
228.04277	1.0
229.05542	4.2
230.05612	0.5
231.03508	0.5
233.05074	1.4
239.04005	3.2
241.05357	0.8
244.04247	0.5
245.05048	33.9
246.05257	2.3
251.03987	1.4
253.05817	0.5
257.05042	24.6
258.05249	1.5
259.06744	0.8
261.03119	0.9
262.05389	2.0
263.06104	11.8
264.06406	0.8
264.97650	0.5
265.00122	2.2
269.05087	2.8
271.06552	0.8
275.06122	4.1
281.05042	0.7
283.01276	5.6
284.01257	0.5
287.06113	15.1
288.06223	1.4
289.07611	1.1
293.07162	4.7
299.06091	1.0
301.01135	0.7
305.07166	3.4
306.07541	0.5
308.05026	0.6
317.06970	1.9
318.07944	0.5
319.54968	0.6
328.55521	0.9
329.07068	1.8
347.08188	94.5
348.08429	7.1
365.09262	22.8
366.09439	2.0
388.10925	0.7
389.09720	0.5
407.10239	9.2
408.10446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92937	0.5
69.03426	0.5
79.05455	0.6
81.07069	0.8
91.05487	0.8
93.07002	0.7
95.08606	1.0
105.06994	1.0
107.08590	0.8
112.51111	0.5
119.08580	1.1
131.08492	0.6
145.10150	0.7
171.00525	3.4
185.04169	4.1
245.07837	100.0
246.08188	3.7
286.10510	1.0
407.12997	29.6
408.13635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07775	0.4
52.65563	0.5
53.03939	1.2
55.01867	3.7
65.03936	4.0
67.05499	2.8
68.27746	0.5
69.78526	1.2
71.01357	1.3
73.02913	31.1
75.25422	0.6
77.03928	1.0
79.05497	1.3
81.03391	0.7
81.07052	0.9
85.02881	0.6
86.15707	0.5
91.03954	0.5
91.05475	5.0
93.03413	2.6
93.07064	1.0
95.04964	8.0
98.22726	0.7
102.52856	0.5
103.05477	1.1
105.03400	0.8
105.04501	1.3
107.04949	1.0
108.02100	2.4
109.02840	0.5
109.06524	1.0
109.10174	1.1
110.03655	5.6
111.04440	7.4
119.04910	3.1
121.02869	1.7
121.06507	6.1
122.03646	0.6
123.04430	7.8
124.04798	0.5
125.05984	33.8
126.06255	0.6
133.02858	7.1
134.03606	2.8
135.04413	2.2
136.01634	0.6
137.05978	5.9
139.03886	1.6
141.05481	3.6
146.74921	0.5
147.04401	1.0
149.02304	0.7
149.05968	17.3
150.06720	1.4
151.03903	100.0
151.05016	12.8
151.07457	4.6
152.04237	2.8
153.05505	1.4
153.06989	0.6
165.01802	1.2
165.05492	3.1
167.07014	0.7
175.03943	1.5
179.03461	0.9
179.07019	21.5
180.07391	0.8
181.04938	1.7
181.06406	0.5
193.01302	3.7
193.03267	0.8
193.04935	6.4
194.05580	0.6
195.06538	7.6
196.05171	0.5
197.08070	27.0
198.08424	0.9
203.07025	0.6
211.07542	1.1
213.09157	0.7
227.09070	0.8
239.09048	0.6
241.08536	1.2
243.10115	0.7
256.07288	2.1
267.06720	0.5
271.09689	0.9
273.11176	1.2
297.07538	0.7
299.09149	6.8
311.08820	0.5
325.07031	2.4
341.10297	0.7
343.08228	1.2
353.10074	1.1
365.88867	0.5
371.11252	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2579
Annotation	Nandrolone phenpropionate
Peak:m/z	Relative Intensity
50.15708	1.5
52.77826	1.3
52.99446	1.3
55.05507	4.6
57.07067	4.4
58.65814	1.2
59.04980	3.0
60.57538	1.3
65.03943	1.5
67.05502	7.8
69.03419	4.2
69.07066	3.3
78.56517	1.6
79.05483	12.1
79.48939	1.3
81.03425	1.5
81.07056	15.0
83.04987	2.0
85.06535	4.3
91.05470	17.9
93.07041	18.0
95.04962	22.2
95.08591	7.3
97.06525	2.7
105.07019	31.0
107.04943	1.7
107.08582	11.7
109.06493	10.8
109.10178	2.7
115.05437	3.1
117.06997	7.6
119.04917	1.8
119.08572	21.6
121.06510	6.5
121.10124	6.6
123.08047	9.7
125.05997	1.7
128.06229	4.8
129.07028	6.5
130.07780	4.6
131.08566	12.4
133.06497	5.4
133.10129	9.1
135.08089	6.9
135.11699	2.2
137.09656	3.3
139.07597	1.7
141.06963	3.1
142.07791	5.2
143.08562	13.2
144.09364	3.3
145.06441	2.4
145.10104	21.9
147.08070	4.8
147.11668	3.1
149.09630	5.9
151.07532	9.7
153.07014	2.2
154.07713	2.2
155.08530	4.4
156.09306	7.1
157.10120	14.6
159.08083	3.9
159.11638	10.1
161.09639	6.6
161.13275	3.7
163.07675	1.7
163.11276	1.9
165.07019	2.7
165.09131	8.4
167.08609	3.4
169.10132	7.4
170.10904	1.8
171.11682	12.7
173.09674	4.8
173.13330	5.4
175.11224	2.3
177.09009	3.5
179.08560	3.3
181.10124	5.8
182.10855	1.7
183.11697	6.2
185.09598	2.2
185.13240	2.7
187.11206	4.9
189.03943	3.0
189.12775	3.4
193.10071	3.4
194.10930	2.5
195.11647	2.6
195.13782	1.8
196.12445	1.5
197.09700	1.7
197.13298	3.4
199.11197	9.6
199.14856	3.0
201.16356	1.8
203.14374	5.3
207.11784	2.9
207.13771	3.2
209.13249	5.7
211.11172	3.2
211.14784	1.7
213.12804	3.9
215.10715	2.2
221.13527	1.9
221.15366	7.6
223.14732	3.1
225.12740	2.3
227.14342	2.6
229.12241	2.9
231.13896	2.0
233.13254	2.4
241.12282	1.7
251.14226	1.8
286.19400	3.6
287.20044	4.3
315.19650	1.6
389.24817	1.9
407.25800	100.0
408.26138	12.0
426.10626	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49619	0.7
61.97205	0.8
65.03936	6.9
69.79977	2.8
79.05492	1.1
81.03420	2.0
90.04768	0.7
91.05466	1.8
93.03400	7.6
93.17267	0.8
98.23396	1.3
107.04951	4.3
109.02863	4.9
111.04436	20.7
119.01255	1.9
121.02857	21.9
121.03934	3.0
121.06477	0.9
122.03233	1.1
125.05986	1.7
135.04395	15.6
136.04738	0.7
137.05983	0.9
139.03886	42.6
147.00771	0.9
149.02257	1.3
151.03897	1.9
152.04253	0.8
153.05440	1.8
163.03912	7.7
165.01822	31.5
167.03441	1.9
179.03242	0.8
181.04939	47.5
182.05336	0.9
193.01311	100.0
194.01617	3.6
194.05354	1.1
211.02333	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	408.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03437	1.7
61.02931	2.7
69.03417	8.5
73.02908	3.4
75.51386	1.1
81.03406	6.2
85.02882	10.1
88.87846	1.2
97.02873	6.4
99.04451	2.3
109.02869	5.9
115.05441	16.4
127.03879	6.0
130.06519	3.0
132.08087	6.4
139.03912	2.4
140.04918	2.2
140.68083	1.4
142.06514	100.0
143.07364	7.1
144.08096	6.9
158.06038	2.3
159.03534	1.4
159.06801	1.8
160.07565	91.1
161.07896	2.0
182.06395	1.5
188.07037	1.7
193.01337	3.1
228.06816	2.9
261.20786	1.5
262.87161	1.3
279.05026	1.5
306.35446	1.4
322.12918	3.3
364.13846	31.1
365.14230	2.6
400.80109	1.5
408.12814	41.9
409.12469	2.1
428.72879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
53.40916	0.6
55.05503	29.9
56.05038	0.9
58.99577	17.3
61.01149	0.9
69.70181	2.9
69.70534	0.7
73.01126	1.9
74.95885	0.7
76.02217	7.7
76.03977	4.1
79.05441	0.9
81.07053	1.8
83.06087	1.8
83.08607	42.6
84.04495	19.5
84.08949	1.5
85.01151	0.7
86.99043	11.5
88.02214	2.8
97.06300	0.9
99.02636	1.3
99.05571	1.1
101.09645	3.4
105.00107	1.3
107.08562	1.0
115.05815	1.4
116.01662	58.6
129.06537	5.0
129.07410	1.4
130.04990	5.3
141.07347	1.0
142.03229	3.3
144.01125	26.7
145.06068	1.8
159.08368	28.3
162.02177	100.0
170.02747	1.3
176.11050	3.4
187.08052	0.8
244.10109	1.2
245.05884	1.3
258.98795	0.9
262.11038	48.7
263.11377	1.9
279.13702	14.8
333.14709	16.1
390.16806	1.2
408.17941	2.6
414.65042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76973	1.1
53.03928	2.9
53.84460	1.3
55.01862	3.4
55.05510	4.0
57.03445	2.0
65.03916	1.4
67.05486	6.1
69.03414	6.2
71.04980	1.7
71.41381	1.4
79.05479	10.0
81.03410	8.1
81.07050	5.6
83.08613	2.9
85.02892	11.7
85.06532	1.8
87.00817	3.6
91.05463	4.5
93.07026	5.8
95.04963	5.2
95.08603	13.4
97.02892	8.9
97.06496	2.1
97.27753	1.2
99.04430	2.3
100.26896	1.2
103.03949	1.4
105.01859	5.2
105.07025	28.5
106.02910	7.0
107.04943	2.4
107.08571	3.9
108.05710	1.6
108.34754	1.5
109.02850	4.5
109.06506	4.5
109.10154	2.4
111.04495	1.4
113.05994	1.4
115.03877	2.5
116.01670	2.1
123.04425	5.0
123.08057	62.8
124.03930	16.6
124.08396	2.5
125.02448	1.3
125.09631	3.8
127.03908	10.5
133.06471	24.0
133.10110	1.7
137.05959	1.9
145.04944	6.5
147.04378	2.7
151.07532	100.0
151.11177	2.6
152.07849	2.9
162.02231	4.7
169.08621	7.9
177.05524	1.5
181.05025	2.4
182.05255	1.9
193.12172	3.7
208.38014	1.3
211.13258	7.2
229.14317	2.9
231.04970	2.3
250.07153	3.3
268.08148	12.6
313.12717	1.7
360.97330	1.4
376.72086	1.6
387.18503	1.6
396.90579	1.5
408.09827	7.4
408.14703	1.6
409.10858	9.5
409.15527	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	408.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.0
55.05499	5.9
57.03426	2.5
57.07019	1.9
58.74854	2.1
61.02930	2.1
64.93810	2.1
65.22625	2.0
67.05487	9.7
69.03419	5.2
69.07056	7.8
70.06572	2.5
70.62330	2.1
75.04459	3.7
75.06779	2.5
79.05482	4.5
81.03416	3.0
81.07053	38.0
82.05019	2.1
83.04964	4.5
83.08597	5.6
83.81478	1.8
85.02911	13.7
85.06525	3.8
91.05473	11.5
93.07014	4.4
95.08587	5.2
97.02887	3.7
97.06507	3.2
105.07018	20.2
107.08585	6.5
109.06531	2.7
109.10156	2.2
110.17187	2.4
111.08063	2.1
113.06000	2.3
119.08561	19.3
121.10144	16.5
123.08043	2.6
123.11697	24.4
127.03889	5.7
131.08496	2.2
133.10178	3.8
137.13257	3.0
145.04938	4.0
145.10089	2.7
147.11678	62.0
165.12737	48.5
166.13066	3.4
180.08653	5.2
183.13800	15.2
193.12253	5.9
211.13298	6.3
229.14326	100.0
230.14682	4.8
434.38266	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14140	5.0
57.03407	6.9
58.71663	4.7
60.65652	5.5
60.65996	4.8
67.05466	5.5
70.94336	7.9
75.48351	5.0
79.05481	6.8
81.03437	5.0
81.07041	7.2
85.02921	14.6
86.09690	5.7
91.05477	11.7
93.07020	10.1
95.04971	7.6
97.02898	6.8
99.08077	17.4
107.08550	15.8
109.10151	5.5
119.04908	12.7
119.08566	10.3
121.10134	8.6
123.08082	7.1
125.09608	36.9
127.03854	7.4
127.45066	5.2
133.10115	12.7
137.05916	9.1
137.09637	5.4
147.04416	57.2
171.83200	6.2
173.13242	6.4
193.12253	10.5
193.15898	17.2
211.13220	12.5
234.37413	5.4
266.10059	15.9
270.09375	8.1
287.04266	10.5
294.09534	9.7
312.10562	12.5
322.09747	12.5
340.09912	13.9
358.11145	10.7
364.10791	56.4
365.11951	33.2
390.13541	11.9
408.09677	100.0
409.10886	90.4
409.18256	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	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14140	5.0
57.03407	6.9
58.71663	4.7
60.65652	5.5
60.65996	4.8
67.05466	5.5
70.94336	7.9
75.48351	5.0
79.05481	6.8
81.03437	5.0
81.07041	7.2
85.02921	14.6
86.09690	5.7
91.05477	11.7
93.07020	10.1
95.04971	7.6
97.02898	6.8
99.08077	17.4
107.08550	15.8
109.10151	5.5
119.04908	12.7
119.08566	10.3
121.10134	8.6
123.08082	7.1
125.09608	36.9
127.03854	7.4
127.45066	5.2
133.10115	12.7
137.05916	9.1
137.09637	5.4
147.04416	57.2
171.83200	6.2
173.13242	6.4
193.12253	10.5
193.15898	17.2
211.13220	12.5
234.37413	5.4
266.10059	15.9
270.09375	8.1
287.04266	10.5
294.09534	9.7
312.10562	12.5
322.09747	12.5
340.09912	13.9
358.11145	10.7
364.10791	56.4
365.11951	33.2
390.13541	11.9
408.09677	100.0
409.10886	90.4
409.18256	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	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.0
55.05501	12.4
61.07920	8.5
65.24266	9.2
67.05492	12.5
69.03420	10.7
69.07085	23.2
79.05517	19.1
81.07069	37.2
83.08635	12.4
85.02917	21.0
85.06545	8.9
91.05505	20.3
93.07051	9.4
95.08615	31.9
97.06563	17.7
99.04447	10.6
105.18957	11.5
107.08602	18.3
109.02853	11.7
109.10152	33.1
119.08566	31.5
121.10142	11.6
123.11720	26.0
127.03909	22.7
133.10114	44.0
135.11700	38.0
147.11725	26.5
149.13309	21.0
159.11496	9.9
171.92561	10.3
175.14818	49.5
193.15916	47.1
211.16905	100.0
228.11058	12.5
229.14336	81.7
262.61844	9.3
421.25061	9.4
429.04651	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	408.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	14.4
69.27509	78.8
79.05515	16.7
81.07039	51.1
85.06523	21.4
85.72717	11.2
89.06015	21.7
91.05453	33.5
92.46145	12.8
93.06525	11.8
93.07040	52.8
95.08589	41.5
98.23400	28.4
98.69671	12.0
104.41895	12.7
105.07022	100.0
107.08561	42.7
109.10133	20.2
111.08024	15.5
119.08558	37.0
121.10120	32.5
133.10051	15.6
145.10056	21.4
147.11613	16.4
150.38779	12.6
155.19995	12.7
161.13350	19.6
258.95883	12.1
316.09982	11.9
340.35483	10.8
356.06198	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	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.2
64.45691	0.7
64.82356	0.7
65.18977	0.8
69.91275	1.8
79.16851	0.8
79.96312	0.7
83.08624	1.3
90.54656	0.8
106.81681	0.8
106.94390	0.8
107.43513	0.7
116.01670	1.6
126.73717	0.7
128.16708	0.8
132.25269	0.8
159.08397	1.5
161.05724	1.1
161.07066	17.5
161.08324	1.3
162.02222	2.3
263.11438	1.0
271.04288	1.8
278.66476	0.7
323.10947	4.6
347.11044	2.5
365.12021	34.8
366.12427	1.9
409.11008	100.0
410.11334	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42920	0.7
68.59796	0.7
77.77646	0.6
116.04946	0.7
185.04225	10.2
203.05348	1.4
246.04956	2.0
247.05841	7.4
255.84895	0.7
333.35605	0.7
365.12149	1.0
409.10922	100.0
410.11081	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	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64368	1.7
98.22745	1.2
151.03920	1.0
160.07611	0.9
161.07050	9.3
203.26001	0.7
271.04245	1.6
323.11084	3.7
347.11438	0.8
365.12030	33.6
366.12402	2.2
409.11011	100.0
409.22379	2.3
410.11505	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	409.1366
Annotation	Trifloxystrobin
Peak:m/z	Relative Intensity
63.02358	0.4
67.05466	0.3
69.17278	0.7
69.17694	1.3
79.05486	0.4
81.07063	0.4
89.03915	3.0
90.04663	0.7
91.05464	3.9
95.04939	0.3
98.23085	1.3
101.01922	0.3
103.05404	0.6
105.07014	2.3
109.06458	0.4
109.10118	0.4
113.03995	0.3
116.04964	19.6
117.05771	4.7
118.06534	3.9
119.04887	1.4
119.06059	0.4
119.08572	0.4
123.03505	0.4
125.01967	0.5
130.06512	3.6
131.07292	16.7
132.04431	2.7
132.08083	10.0
133.08400	0.3
134.05997	8.5
135.06271	0.3
143.03012	0.4
145.02576	34.5
146.02910	1.1
146.05980	9.3
147.06772	1.6
148.07494	0.6
149.04735	0.5
157.07578	0.6
157.10059	0.3
161.04700	1.6
162.09111	2.0
163.03618	1.2
173.03183	7.2
175.06284	1.0
186.05228	100.0
187.05585	3.6
206.08090	22.5
207.08374	1.0
220.92212	0.3
242.14082	0.3
295.93024	0.3
308.78549	0.3
367.23273	0.3
409.34985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43513	0.7
75.17989	0.4
81.07064	0.6
82.07362	0.5
84.04498	0.7
85.02903	0.5
98.22843	0.5
107.66058	0.5
147.04347	0.9
164.65855	0.4
173.93135	0.4
182.04710	0.6
186.38181	0.4
188.97113	0.5
212.71124	0.5
218.41664	0.4
224.42271	0.4
247.09485	1.3
262.11057	1.0
349.07690	0.7
365.15826	0.8
409.14740	100.0
410.15048	5.3
424.81378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23379	1.1
61.77505	1.1
101.12851	1.0
159.89220	1.2
229.94760	1.3
409.25558	100.0
410.25815	5.2
434.18317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32730	4.8
73.15580	1.0
98.23443	1.7
241.27919	0.9
269.13660	3.2
358.72668	0.9
409.25549	100.0
410.25854	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	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23379	1.1
61.77505	1.1
101.12851	1.0
159.89220	1.2
229.94760	1.3
409.25558	100.0
410.25815	5.2
434.18317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.05502	18.3
57.07067	9.3
59.05001	4.6
65.03920	4.4
67.05504	19.5
69.03419	8.3
69.07079	3.6
69.76196	5.7
72.65945	2.2
76.07003	2.1
79.05489	24.5
81.07050	39.6
83.04972	7.4
85.06569	3.0
90.58963	2.0
91.05470	44.7
93.07042	48.1
95.04959	50.6
95.05531	4.0
95.08597	30.8
97.06524	8.2
103.05443	3.5
105.07022	100.0
106.07323	3.3
107.08595	26.7
109.06501	11.1
109.10149	9.1
113.09608	1.8
115.05444	3.7
117.07006	11.0
119.08568	69.4
121.06484	18.4
121.10143	15.4
123.08061	20.4
128.06242	3.5
129.07018	7.5
130.07814	3.6
131.08549	21.6
133.06465	5.6
133.10141	19.4
133.31773	2.1
135.08052	11.9
135.11681	5.7
137.09595	9.4
141.07014	4.4
142.07759	13.6
143.08539	13.7
144.09285	4.1
145.10110	42.7
147.08018	20.1
147.11671	37.6
147.12828	2.4
149.09637	10.2
151.07558	17.9
155.08533	8.7
156.09303	3.4
157.10107	18.8
159.08058	4.7
159.11694	14.0
160.08827	2.1
161.09602	9.9
161.13213	5.3
163.11189	7.0
164.93161	1.9
165.09116	42.8
165.10429	3.6
166.07726	2.2
167.08507	2.7
168.09300	3.0
169.10150	11.1
171.11678	10.3
173.09599	5.3
173.13260	6.1
175.11192	28.4
175.14827	3.5
177.09088	6.1
178.09898	2.5
181.10144	5.2
181.12273	2.6
183.11685	9.2
185.13225	6.0
187.11179	4.3
187.14810	2.3
189.12750	8.1
193.10146	2.9
195.11694	4.8
197.13255	2.9
199.11087	2.6
199.14824	3.1
201.12779	10.6
201.16325	2.1
203.14305	13.9
207.11800	4.2
207.13766	9.3
209.13339	4.4
209.15335	4.9
211.11180	2.4
211.14775	7.3
213.12920	3.7
215.14352	4.2
219.13815	3.7
221.13399	2.6
221.15331	75.1
221.17451	4.4
222.15767	4.0
223.14977	2.1
229.15898	5.8
231.13870	3.4
233.15347	4.9
234.16142	14.8
286.19055	4.5
287.19949	9.0
300.20786	8.0
329.21048	5.1
391.26385	7.4
409.27267	37.5
410.27509	3.5
419.06506	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	20.0
57.07068	8.3
59.05002	5.3
67.05499	23.7
69.03413	8.1
69.07059	9.5
79.05505	18.9
81.07054	34.6
83.04961	3.3
85.06538	3.1
89.06014	4.7
91.05470	42.9
93.07037	48.9
95.04964	49.8
95.08589	32.6
97.06519	6.2
105.04537	4.0
105.07027	100.0
105.07731	6.3
106.07320	3.0
107.08570	28.0
109.06518	9.6
109.10137	9.1
111.08085	4.3
115.05417	4.6
117.06993	17.1
119.08564	64.9
121.06487	14.5
121.10133	17.5
123.08060	16.2
128.06186	4.6
129.07030	14.0
130.07816	4.6
131.08562	22.9
133.06448	4.5
133.08537	3.7
133.10107	15.0
135.08067	10.3
135.11699	4.8
137.09616	9.3
141.07011	4.3
142.07770	10.6
143.08559	14.7
145.10115	37.4
147.08035	17.0
147.11674	34.0
149.09598	14.8
151.07521	22.2
153.07088	2.7
155.08488	5.7
156.09314	5.0
157.10110	20.3
159.08092	6.5
159.11674	11.3
160.08824	3.5
161.09601	10.1
161.13283	6.1
163.11183	6.3
165.09097	35.8
169.10120	7.8
171.11713	10.6
173.09636	5.1
173.13298	7.5
175.11189	27.1
175.14871	3.3
177.09117	4.8
181.10106	4.7
181.12219	3.4
183.11670	9.9
185.13275	9.0
187.11154	7.4
187.14807	3.5
189.12701	5.9
189.16319	2.5
195.11598	3.5
201.12749	9.8
201.16399	3.3
203.14244	17.2
207.13765	7.7
209.13234	6.7
209.15317	3.2
211.14691	4.7
213.12912	3.1
215.14294	3.3
219.13782	4.9
221.13203	5.6
221.15350	88.9
221.17444	5.9
222.15681	6.0
229.15828	4.2
231.13768	3.0
233.15302	5.5
234.16187	13.6
265.25293	2.8
269.58124	2.7
272.08713	2.8
287.20056	6.1
300.20889	3.7
313.21521	4.0
329.21124	7.3
373.34479	2.8
391.26199	6.3
392.31415	5.0
408.62189	2.8
409.27365	41.1
409.34546	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
53.28304	3.5
55.05503	24.1
57.07063	14.5
61.85982	3.4
65.03949	4.3
65.87441	3.2
67.05509	28.0
69.03424	9.3
69.07053	7.5
70.77544	4.2
70.77892	3.4
70.91531	3.7
78.77566	3.3
79.05483	30.6
81.07052	42.4
83.04989	5.8
85.06541	5.8
89.06041	9.7
91.05489	46.1
93.07037	52.9
95.04959	61.0
95.08604	33.3
96.91293	3.5
97.06525	16.6
103.05451	4.3
105.07014	100.0
107.08575	33.0
109.06516	15.1
109.10132	18.4
111.08118	5.8
115.26310	3.5
117.06999	19.4
119.08566	77.4
121.06497	20.1
121.10147	16.6
123.08065	23.2
129.06987	8.7
130.07823	4.8
131.08569	20.2
133.06537	5.2
133.10133	18.0
135.08073	12.3
135.11707	6.7
137.09613	14.1
141.07004	6.6
142.07767	16.9
143.08559	21.0
145.10120	46.4
147.08066	18.9
147.11691	39.2
149.09639	11.4
151.07535	25.0
155.08568	8.8
156.09317	7.9
157.10138	22.8
159.08023	4.6
159.11674	22.5
161.09650	11.7
161.13252	6.2
163.11163	4.2
165.09070	33.2
168.09261	7.4
169.10086	20.1
170.10707	4.5
171.11656	17.0
173.09648	8.5
173.13266	7.5
175.11224	21.7
181.10124	4.7
183.11699	14.1
184.73813	4.6
185.13322	4.0
187.14845	7.3
189.12744	9.6
197.13246	7.6
201.12691	9.0
201.16403	8.0
203.14360	13.9
207.13803	14.3
209.13440	5.5
209.15364	5.2
211.14769	7.1
219.13770	6.0
221.15349	74.4
222.15742	4.1
229.15865	8.1
234.16156	11.0
239.14667	4.3
253.15877	3.7
287.20007	8.1
391.26181	8.2
409.27228	65.9
409.33041	5.3
409.34866	5.7
410.27341	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	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18247	1.1
55.05267	1.5
55.05503	8.4
57.07065	2.6
66.94073	1.0
67.05159	1.9
67.05498	24.7
69.07053	16.0
69.76215	3.7
73.82278	1.1
75.17962	1.0
77.01945	1.2
77.03893	1.4
79.05481	26.3
80.05791	1.6
81.07049	28.9
83.04966	4.5
83.08620	7.5
91.05459	15.2
93.07035	31.0
95.04943	2.8
95.08595	75.6
96.08897	1.7
97.10157	2.6
103.05417	1.2
105.07021	26.4
107.08578	100.0
108.08898	2.1
109.06510	1.7
109.10139	33.9
111.08112	1.4
111.11715	1.4
117.07014	3.2
119.08562	31.2
119.09415	1.8
120.08932	1.6
121.06484	2.4
121.10126	48.3
123.08044	2.3
123.11687	10.4
131.08527	7.1
133.10112	28.2
135.08051	5.4
135.11673	21.7
137.13191	2.8
143.08572	3.1
145.10092	16.3
147.11658	17.2
149.09576	2.0
149.13237	19.1
157.10101	4.4
159.11679	11.5
161.09647	4.0
161.13240	10.5
163.11166	14.4
163.14792	14.9
171.11661	3.7
173.13246	7.2
175.11197	2.5
175.14795	25.2
176.15147	2.1
177.12769	3.3
177.16365	39.0
185.13248	3.0
187.14795	14.4
189.12711	1.8
189.16371	13.2
191.14178	1.3
191.17885	7.2
199.14839	3.4
201.16348	6.1
203.14374	2.1
203.17915	30.6
204.18291	2.0
205.15851	72.3
206.16225	3.8
211.14754	2.0
213.16382	3.1
215.17899	5.8
217.15901	1.8
217.19469	2.1
219.17447	4.0
221.15335	1.8
225.16330	2.0
227.17841	1.8
229.19489	3.4
231.17409	2.9
231.21027	1.5
239.17867	2.0
241.19411	2.1
243.21060	1.9
245.19073	2.5
253.19359	2.0
255.20946	2.3
267.20816	1.8
271.20532	1.3
285.25720	10.7
295.24176	15.2
313.25180	18.6
339.26828	3.4
381.34982	2.4
391.33469	5.2
403.46869	1.4
407.62051	1.3
409.26746	1.5
409.28708	1.7
409.34589	34.2
410.35031	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	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.2
57.07053	2.5
57.31831	1.0
65.03936	2.2
67.05500	17.2
69.07063	19.8
69.35646	5.1
71.08596	1.2
79.05486	16.0
81.07052	32.6
82.06564	1.2
83.04971	1.1
83.08614	9.5
91.05463	12.8
93.06448	1.9
93.07035	38.3
95.04967	1.8
95.08598	77.2
96.09023	1.0
97.06597	1.2
97.10164	5.7
105.07026	32.8
106.07320	1.1
107.08586	68.6
108.08947	1.2
109.06507	1.8
109.10143	40.0
110.10503	1.0
111.11713	1.8
115.71598	1.1
116.78813	1.0
117.07008	2.6
119.08572	33.8
121.06503	1.9
121.10136	50.4
122.10465	1.5
123.11720	12.7
131.08604	7.6
133.10126	34.3
134.10495	1.3
135.08073	4.6
135.11678	22.1
137.13251	3.6
143.08568	2.5
145.10110	16.6
147.11676	23.8
148.12032	1.2
149.09612	1.3
149.13243	39.8
150.13567	1.4
157.10097	2.8
158.10864	1.0
159.11720	8.7
161.09637	1.8
161.13243	16.4
163.11159	16.5
163.14793	30.7
164.11723	1.2
171.11682	2.6
173.13211	5.1
175.11160	2.4
175.14798	27.4
177.12743	4.4
177.16370	47.6
178.16664	2.2
185.13292	1.2
187.14812	15.3
188.15225	1.3
189.12726	1.2
189.16370	20.5
190.16763	1.3
191.14235	2.1
191.17911	11.8
199.14792	1.7
201.16338	7.2
203.17938	100.0
204.18259	5.5
205.15866	61.4
205.19579	3.7
206.16252	1.6
213.16325	2.8
215.17957	3.8
217.15862	1.1
217.19534	2.7
219.17453	8.5
229.19574	2.8
231.17444	6.7
231.21127	1.8
233.19002	2.0
241.19501	1.5
245.18944	1.6
257.22870	1.1
267.21075	1.3
381.35132	2.6
391.33621	7.3
392.26065	1.2
409.34631	69.4
410.27206	3.1
410.35004	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	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47352	2.3
55.05491	2.3
64.97183	2.2
67.05493	9.6
69.07056	12.9
79.05479	9.8
81.07047	38.4
83.08598	3.6
91.05470	9.9
93.07042	24.8
95.08589	31.8
105.07008	16.1
107.08585	33.8
109.10131	11.6
116.27779	2.1
117.07063	3.1
119.08559	20.1
121.10133	22.6
123.11678	5.7
131.08551	4.8
133.10123	18.8
135.11664	10.3
137.13240	9.4
143.08502	6.0
145.10095	16.5
147.11674	23.9
149.13225	40.8
157.10120	4.7
159.11659	9.1
161.13260	6.8
163.14793	44.1
171.11636	7.3
173.13220	7.5
175.14758	7.5
177.16391	9.3
185.13283	5.7
187.14844	6.9
189.16365	11.1
199.14827	6.3
201.16328	7.4
203.17932	15.4
213.16359	3.3
215.17952	15.2
227.17892	11.3
229.19490	7.4
231.17639	2.7
241.19510	9.7
243.21068	8.6
253.19298	2.8
255.21013	19.1
259.20584	4.4
269.22659	8.5
285.22171	20.6
391.33453	11.1
409.34607	100.0
410.34927	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	410.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01866	5.2
57.03436	2.7
61.02909	2.2
65.03924	2.3
68.99767	2.8
69.03432	11.8
69.39263	8.7
71.04972	4.9
72.60241	1.8
73.02894	3.6
81.03407	10.3
85.02890	30.1
87.00824	16.9
91.05489	3.0
93.03408	2.2
97.02880	12.1
98.68366	1.6
99.04456	6.1
103.03923	3.7
105.01852	5.4
107.04939	3.7
107.08583	2.0
109.02885	10.8
111.04452	9.5
115.05411	2.5
117.01855	3.1
117.05750	6.5
117.07013	5.3
123.04409	2.8
127.03909	13.4
129.01854	3.3
129.03348	2.0
129.07028	10.4
130.06517	19.1
130.78804	1.6
131.04906	5.0
132.08070	6.2
135.04393	11.2
139.03876	14.1
141.06995	2.0
143.07298	27.1
143.08423	1.7
144.08076	90.5
145.04933	4.7
145.08446	5.3
145.12218	3.9
147.04515	1.9
151.40692	1.6
154.06526	2.4
155.07312	2.0
156.08086	29.7
157.02840	4.0
157.04004	2.3
157.08820	7.9
158.06035	3.3
158.09642	100.0
158.16486	1.9
159.02908	6.4
159.04367	2.7
159.09975	4.5
160.07582	9.5
162.09129	8.4
163.03871	5.6
167.07277	7.4
168.08063	29.8
170.09651	4.9
172.07539	3.9
174.09109	9.3
175.03941	3.2
179.03487	2.5
180.08104	4.2
181.04985	4.9
181.08876	3.1
182.09644	6.6
184.07553	27.7
185.02303	4.3
186.09123	90.5
187.03883	22.8
187.09488	5.6
189.01811	3.2
194.09644	2.0
196.07780	2.4
196.11171	2.5
198.09163	2.7
203.03397	9.6
204.10188	65.6
205.10475	3.4
206.09682	5.0
210.09117	4.9
211.07805	1.8
213.01828	22.0
213.03821	2.9
214.08589	3.8
215.03517	4.3
220.64204	1.7
220.66174	1.8
224.10672	7.3
228.10184	6.7
231.02843	65.8
231.04756	3.2
239.06960	1.9
240.10326	1.9
249.05556	4.6
252.10138	14.7
263.07001	1.7
267.06512	2.6
269.20685	1.9
270.11252	10.3
277.04947	2.7
279.06531	4.8
288.12195	2.9
295.05981	12.6
307.05713	2.1
312.12161	2.2
330.13309	5.5
337.07059	4.0
348.14316	2.2
356.11182	8.7
365.06702	5.0
369.06064	3.8
374.12332	30.8
392.13434	33.6
393.13687	2.9
403.26431	1.7
411.07013	14.4
411.19867	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	410.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75416	7.9
57.69747	7.9
61.48560	8.7
67.05482	23.7
69.03423	14.8
70.59386	13.3
70.59718	10.8
80.10316	8.1
81.03445	9.0
83.04986	11.3
85.02908	29.8
97.02895	14.7
102.06672	10.6
105.01872	10.6
109.10171	14.3
111.20198	10.5
127.03916	18.5
138.99167	10.2
139.03874	10.7
147.04469	15.7
169.35571	8.6
231.02850	29.2
235.89854	9.3
263.00201	8.8
377.09406	8.8
410.11206	71.2
411.11813	15.4
411.20139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01867	6.4
57.03426	4.0
61.02911	3.9
67.05483	1.7
68.99792	1.0
69.03427	17.0
69.44485	5.3
70.15969	1.0
71.04980	2.9
71.08628	22.2
73.02909	6.0
81.03417	17.0
81.07039	1.4
85.02897	48.0
87.00826	24.8
87.58332	1.1
91.03963	2.0
97.02888	22.2
98.22673	2.5
99.04435	9.9
99.08086	28.2
105.01853	28.4
109.02872	16.7
115.03886	1.5
117.01842	3.1
127.03902	38.3
127.11179	31.0
129.01848	2.5
136.79852	1.1
145.04941	17.1
145.12221	100.0
146.12520	2.8
147.02873	1.3
152.63515	1.1
159.02879	8.8
163.03824	1.2
189.03865	2.0
194.67682	1.1
199.28708	1.1
209.84302	1.1
213.03909	3.5
231.02957	1.7
231.05013	8.4
249.06012	1.3
292.18054	1.2
302.56311	1.1
303.85422	1.2
372.44321	1.2
426.28891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01064	1.8
53.03951	8.1
55.01873	12.2
57.03432	7.2
57.07069	4.5
60.04504	2.0
61.02927	8.4
63.60426	1.9
65.60455	1.8
68.99790	4.9
69.03429	35.1
70.00436	6.6
71.04987	6.5
73.02908	12.9
81.03410	33.7
83.01366	2.1
84.04546	2.5
85.02900	100.0
87.00816	46.9
87.04483	2.7
91.03932	2.6
97.02889	55.0
97.03499	4.3
98.23370	2.3
99.04446	20.3
100.11268	5.5
102.58761	1.9
105.01859	50.4
108.04465	9.0
109.02869	39.6
117.01820	2.4
126.05536	5.4
127.03906	78.5
129.01845	2.8
145.04955	46.8
147.02884	4.7
159.02870	29.1
169.38631	2.2
189.04063	2.7
213.03879	3.2
231.02972	3.3
231.04982	16.7
243.41385	2.6
249.06155	2.3
316.46201	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01865	5.7
57.03428	2.9
61.02916	3.6
67.05491	1.6
68.99795	2.4
69.02135	0.8
69.03063	1.3
69.03427	19.1
69.07072	0.8
70.06580	1.8
70.75690	0.8
71.01364	0.9
71.04608	0.7
71.04988	2.7
71.08630	23.3
73.02920	4.7
81.03413	16.7
81.07053	1.4
85.02901	49.6
86.03247	1.3
87.00826	24.3
91.03957	1.0
97.02890	20.6
99.04458	7.4
99.08086	30.6
103.03885	0.9
105.01861	26.4
109.02876	17.9
109.10152	2.1
117.01829	2.6
127.03908	41.8
127.11185	31.1
128.11589	1.2
129.01822	1.9
139.03899	0.9
145.04961	16.6
145.12227	100.0
146.12572	3.3
147.02823	1.7
159.02872	10.4
170.70474	0.9
187.03894	1.1
189.03870	1.5
197.91888	1.0
213.01802	1.8
213.03893	2.6
215.17209	0.9
231.02815	3.3
231.05008	9.3
249.06107	1.4
302.66620	0.8
330.02649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92616	1.5
55.05505	3.9
57.07070	39.9
60.88369	1.5
61.02890	1.7
69.43501	4.8
69.43910	3.0
71.08627	30.0
73.06551	5.6
78.28934	1.8
83.08611	2.2
85.10175	22.9
87.04477	2.1
89.06023	100.0
90.20834	1.6
91.05480	3.0
94.91428	1.8
95.04958	2.8
95.08575	3.3
97.10175	2.7
99.11752	3.2
102.68753	1.8
105.07020	4.2
106.07330	1.7
107.07079	3.8
119.08593	4.7
120.08888	1.9
133.08592	51.2
139.67223	1.7
145.10098	2.1
151.07574	2.1
151.09590	3.9
155.17946	4.0
165.62323	1.6
173.25891	1.7
177.11195	10.7
195.12119	1.7
199.20573	3.5
218.16867	1.8
222.15616	2.3
239.14857	25.5
243.23228	5.4
349.29559	2.2
393.32043	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	411.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26414	2.5
73.25733	0.5
87.38471	0.4
89.03900	0.5
91.05477	0.6
92.61238	0.4
98.22713	1.1
100.11217	0.6
107.04919	0.5
111.04440	1.2
113.08824	0.4
130.06534	1.0
131.04907	0.6
135.04424	2.4
139.03905	2.6
139.40988	0.5
145.02827	0.8
147.04410	0.7
163.03981	2.5
175.03828	0.8
180.78729	0.5
181.04935	1.5
185.02325	1.1
187.03867	3.4
200.57936	0.5
203.03178	3.5
213.01816	4.1
231.02652	100.0
232.03009	3.3
249.03644	5.0
267.06403	0.5
272.05301	0.8
295.05835	1.3
365.06586	0.5
374.83362	0.4
411.06876	9.1
411.19553	0.6
411.24091	0.8
411.33307	1.1
412.07434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76797	1.0
69.15221	8.1
70.99601	1.3
93.03407	2.1
98.23438	2.5
99.28288	1.3
100.11227	2.2
100.97109	1.2
103.05460	1.6
107.04989	2.1
111.04436	4.4
114.09162	3.1
135.04401	5.3
139.03902	5.4
142.08640	1.9
155.42451	1.4
157.02863	3.1
157.03938	1.6
163.03867	3.8
166.36664	1.3
175.03865	2.5
181.05006	1.9
185.02293	2.8
187.03935	11.8
189.01851	1.8
203.03363	7.4
210.14851	2.7
211.76915	1.6
213.01828	14.9
215.03493	1.6
215.33006	1.3
227.28003	1.4
231.02695	100.0
232.03105	4.2
249.03682	3.5
249.05847	1.9
295.05960	6.5
308.15683	1.4
321.06912	2.0
337.06995	1.7
350.89359	1.3
365.06650	3.0
368.25375	1.9
411.06943	11.9
411.33017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96960	1.3
67.96078	1.2
69.18733	3.1
69.19144	5.0
70.12151	1.4
81.40054	1.3
149.02350	3.4
209.04358	1.5
213.01950	1.6
221.02876	1.7
231.02621	19.2
411.06827	100.0
412.07196	6.3
426.13904	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76380	3.8
76.26551	3.6
77.20007	3.7
85.94485	3.3
131.08435	3.6
180.73860	3.7
241.57248	4.4
279.87805	4.0
411.10797	37.4
411.16196	100.0
437.77582	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	411.1073
Annotation	Dehydropodophyllotoxin
Peak:m/z	Relative Intensity
51.02404	1.5
53.03942	1.9
56.33205	1.0
68.99800	1.0
79.01846	6.3
79.05445	1.1
93.07048	1.1
107.01301	10.3
109.02895	5.0
118.08634	2.0
137.02328	100.0
138.02655	1.5
149.02319	2.0
163.03877	2.8
172.05206	4.1
175.36461	1.0
193.04959	3.1
199.07454	1.1
215.07159	1.2
223.07594	2.0
225.09073	1.0
229.08565	2.7
230.09370	7.0
231.06468	6.1
234.06683	1.8
235.07550	4.4
237.09097	1.7
245.08072	3.9
250.09946	2.5
251.07059	4.9
257.08054	1.7
262.06113	1.1
263.07007	4.6
264.04205	1.2
264.07654	1.3
273.07529	1.8
274.08374	19.1
275.06931	1.3
277.08569	3.7
278.09476	2.0
279.06482	5.4
279.09674	1.5
283.09692	1.6
291.06479	5.1
292.07303	1.2
293.08023	1.7
294.08762	2.0
304.07303	1.2
305.04767	1.3
305.08160	4.4
306.08820	13.4
307.05978	3.4
307.09238	2.4
309.11096	5.0
317.73813	1.3
320.06668	1.6
321.07578	3.1
322.08374	4.3
325.10907	1.7
335.09039	2.6
336.09741	5.9
337.10620	9.8
349.07007	2.7
351.08804	1.5
352.09607	1.7
353.10187	4.6
362.07803	1.9
363.08719	2.4
367.11914	7.5
381.09744	3.2
393.09802	2.1
411.10730	68.0
412.11221	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	411.1073
Annotation	Dehydropodophyllotoxin
Peak:m/z	Relative Intensity
51.02371	1.0
53.00300	0.6
53.03931	2.0
55.01876	0.9
55.05494	0.5
64.07880	0.3
67.83347	0.3
69.21024	2.3
70.06596	0.4
72.66681	0.3
75.04425	0.4
79.01850	5.6
81.03391	1.0
83.08615	0.5
85.02904	0.5
97.02819	0.4
98.22766	0.8
100.11237	1.4
107.00577	0.6
107.01311	13.0
109.02863	4.8
119.08572	0.4
135.04427	0.8
137.02328	100.0
138.02684	1.8
142.12183	0.4
149.02335	1.8
159.11655	0.4
160.12115	0.4
161.13358	0.4
163.03902	2.8
165.06998	0.6
172.05177	2.2
178.07716	0.4
186.06750	1.1
187.07536	0.5
189.06895	0.6
190.07689	0.5
191.08508	0.4
193.04935	1.5
193.48370	0.5
194.05302	0.7
195.08119	0.9
199.07523	0.6
205.06479	0.8
206.07329	0.8
207.08043	1.2
210.14917	0.8
214.06253	0.7
215.07083	1.7
218.07347	0.5
219.08058	0.8
220.08656	0.5
221.06006	1.2
221.07936	0.7
221.09801	0.5
222.06717	0.8
223.07510	2.1
224.08232	0.5
229.08559	2.7
230.09335	7.3
230.11391	0.6
231.06500	5.5
231.09842	0.5
233.06021	0.6
234.06694	1.3
235.07555	3.9
235.09627	0.7
236.08296	1.0
237.05505	0.6
237.09096	1.1
238.09929	1.1
239.07101	0.8
244.22569	0.5
245.08073	6.2
246.06624	0.9
247.07535	1.9
248.08340	1.2
249.05518	1.2
249.09096	1.9
250.06206	0.9
250.09830	2.0
251.07011	4.8
251.10698	0.5
252.07796	0.6
253.08534	1.0
257.08060	2.0
259.06018	0.9
261.05548	0.8
262.06241	1.2
263.07010	5.4
264.04074	1.1
264.07657	1.9
265.04953	0.5
265.08600	1.3
266.09494	2.0
267.06647	0.5
267.10162	0.5
273.07620	0.8
274.08356	18.5
275.06622	0.6
275.09042	0.5
276.07834	0.9
277.04910	1.2
277.08606	3.6
278.05713	1.1
278.09375	3.0
279.06567	4.5
279.09921	0.9
280.07196	0.5
281.08081	1.1
281.11703	1.1
282.08698	0.5
283.09610	1.3
289.04971	0.5
289.08414	0.5
290.05981	0.6
290.09146	0.5
291.06537	5.5
292.03610	0.4
292.07205	1.5
293.05109	0.4
293.08011	2.2
294.05560	0.8
294.08865	2.5
295.06076	0.6
295.09296	0.4
304.07266	0.8
305.04565	0.4
305.07980	5.5
306.05438	0.7
306.08801	14.2
307.06021	4.7
307.09491	1.5
309.07755	0.7
309.11136	5.6
310.08322	0.5
310.11642	0.4
311.09265	0.6
318.08945	0.8
319.05963	1.4
319.09540	0.5
320.06808	1.8
321.07544	3.9
322.08322	4.9
323.08975	0.7
325.10599	1.3
333.07568	0.6
334.08380	1.0
335.05457	1.3
335.09195	3.5
336.09836	6.5
337.07043	0.9
337.10632	7.4
338.11139	0.6
347.05475	0.5
348.06177	0.5
349.07028	2.1
349.10852	0.6
350.07935	1.2
351.08597	0.7
352.09430	2.2
353.10083	5.6
354.10602	0.5
361.07138	0.7
362.07828	1.9
363.08612	2.6
365.90643	0.4
367.11749	6.6
376.09573	0.5
379.08121	1.4
381.09689	4.5
393.09540	2.0
410.25400	0.9
411.10709	58.2
412.10895	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	411.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73417	0.6
70.06570	0.8
70.98586	0.9
83.51334	0.7
90.26120	0.6
128.18922	0.6
160.09761	0.6
231.02788	1.1
248.83067	0.8
321.61026	0.7
411.12134	100.0
411.16138	12.2
412.12463	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	411.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00499	0.4
60.51978	0.4
68.02694	0.4
69.03442	0.3
70.93636	0.6
98.32021	0.4
187.62373	0.4
189.14862	0.4
215.49217	0.4
231.59167	0.4
249.10991	1.2
267.10818	0.4
288.53543	0.4
364.70844	0.3
411.16269	100.0
412.11740	0.4
412.16635	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	411.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60703	0.5
82.76111	0.1
98.22678	0.2
148.65506	0.2
203.05270	0.3
217.89127	0.2
231.02850	0.2
231.13574	0.4
249.14565	0.6
331.13821	0.1
333.71771	0.2
360.03772	0.2
366.43671	0.2
411.19836	100.0
412.20227	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	411.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64290	0.5
58.06599	0.8
58.27026	0.6
96.04488	0.8
100.07686	0.7
100.11238	1.3
102.61513	0.7
104.10760	1.1
111.04439	0.9
128.07123	0.9
133.10161	1.3
135.04404	1.0
136.03972	1.0
139.03885	1.9
140.10718	2.4
163.04007	0.7
168.10202	1.7
182.15437	1.9
184.07329	0.8
185.02344	0.8
187.03923	1.8
203.03445	1.4
203.05237	9.4
203.36963	0.6
205.26582	0.8
210.14902	2.4
211.15114	0.7
213.01852	3.5
231.02812	8.0
231.13559	18.7
249.14795	0.8
308.05908	1.8
337.21115	1.4
354.23642	0.9
394.27054	2.3
411.07993	2.1
411.19904	100.0
412.20242	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	411.1989
Annotation	diflorasone
Peak:m/z	Relative Intensity
57.03423	0.5
65.51653	0.2
69.03432	1.2
69.65105	1.0
73.02922	0.5
85.02896	1.8
87.04449	0.8
92.37598	0.3
97.02914	1.2
100.11267	0.3
110.69209	0.2
115.03905	1.4
127.11196	0.5
133.04956	1.0
139.03859	0.3
145.04956	0.5
147.04420	0.3
203.05190	0.6
231.02718	1.8
231.13522	1.4
290.34958	0.3
353.68359	0.2
411.19852	100.0
412.20184	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	411.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02760	0.5
56.61049	0.5
69.03426	0.6
69.12299	3.4
107.13571	0.5
116.15022	0.5
156.30122	0.5
174.21667	0.5
193.21674	0.5
203.05208	6.0
231.13589	2.5
321.82968	0.6
322.04599	0.7
353.15659	11.3
354.16162	1.1
411.15823	31.9
411.19849	100.0
412.16205	2.4
412.20810	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	411.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37191	1.1
68.55005	1.0
69.31315	6.2
70.83097	0.9
71.18924	1.0
81.07011	1.6
87.31139	1.2
95.08618	1.3
98.54452	1.1
109.10151	1.8
294.03986	1.3
303.51041	1.2
304.04831	1.2
381.27579	4.9
393.95166	1.1
411.28641	100.0
412.29062	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	411.3619
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05497	7.6
61.45748	3.9
62.34042	2.8
62.61137	3.0
67.05489	12.6
67.37691	3.3
69.07051	10.7
69.10139	21.8
71.08601	3.0
79.05474	11.0
81.07040	35.9
83.08601	4.5
88.64671	3.2
91.05489	7.5
93.07039	25.2
95.08593	86.6
95.09200	4.5
98.23460	4.9
105.07001	19.6
107.08578	49.3
109.10139	30.7
119.08565	28.0
121.10110	45.5
123.11689	17.4
128.92873	3.3
133.10123	21.1
135.11653	26.0
137.13257	3.9
145.10049	6.9
147.11673	14.7
149.13251	32.1
151.07518	5.4
159.11610	6.2
161.13200	16.6
163.14809	67.2
173.13223	5.2
175.14799	22.1
177.16345	21.6
179.14273	7.0
184.26042	3.2
187.14810	12.0
189.16359	29.1
191.17934	19.5
197.08052	4.5
201.16367	12.2
203.17934	44.9
205.19493	7.4
207.17455	7.0
215.17944	7.9
217.19516	10.3
219.21033	3.4
231.21031	28.4
233.18980	8.6
233.27965	3.9
297.25720	16.2
310.12711	3.3
315.26785	11.0
393.34995	15.2
411.29312	4.5
411.36154	100.0
412.36359	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	20.4
59.04993	4.6
60.14645	3.9
69.03422	61.1
69.07059	10.0
71.40945	3.8
73.02908	4.7
75.67246	3.6
79.57524	3.8
81.03405	7.1
85.02898	70.4
86.09699	5.1
87.04457	35.8
93.07034	4.9
94.03461	3.2
97.02880	52.5
99.04471	7.1
104.10739	7.7
109.02886	8.3
115.03924	60.8
120.25606	4.7
124.99973	4.0
125.75768	3.3
127.03931	10.1
133.04948	62.2
145.04984	13.4
150.07669	6.4
161.09862	4.1
163.06042	7.9
167.10754	5.1
184.07417	12.7
232.25452	3.3
412.20172	100.0
413.13687	6.9
413.20300	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	412.233
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61153	4.8
63.99644	4.6
71.36739	4.9
81.07045	12.5
91.05472	20.9
93.03436	8.5
93.07030	16.3
95.04958	5.2
95.08587	14.1
99.63669	4.4
104.22992	4.3
105.07010	30.2
107.08596	8.9
109.10151	5.0
117.07080	4.5
119.08572	25.8
121.06494	25.5
131.08575	5.6
133.10109	25.4
140.73076	4.8
143.08565	18.4
145.10185	8.5
147.11670	11.9
151.11263	4.2
156.81004	4.9
157.10062	14.4
159.11659	10.5
160.28976	4.3
189.16335	12.1
199.14769	25.4
217.15875	9.8
231.05115	4.5
263.47113	4.8
413.27686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02028	3.7
55.48105	4.3
70.06592	5.9
71.43239	5.2
83.57455	4.4
100.07613	5.5
100.11236	4.6
107.12596	4.1
142.12288	11.3
150.22383	4.2
170.11739	11.5
182.15355	6.1
202.05992	54.2
210.14899	6.9
231.02647	9.1
232.03020	12.6
233.03160	15.6
234.57491	3.6
309.93521	3.7
315.40579	4.3
351.12039	100.0
351.16177	3.5
352.12204	6.1
363.43082	4.1
385.06500	4.3
396.28381	7.2
413.07169	10.0
413.12222	72.6
413.17719	11.2
413.30930	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	413.1412
Annotation	t(6)a
Peak:m/z	Relative Intensity
69.37913	2.4
70.06570	1.2
71.18220	0.7
74.06063	2.6
76.02219	3.1
84.04492	0.7
85.42814	0.5
98.97551	0.7
107.04954	3.3
114.19600	0.6
119.03551	3.3
120.06554	8.1
136.06171	100.0
137.04587	2.5
137.06537	1.2
143.39064	0.6
151.03802	0.8
158.10294	0.6
162.04097	61.7
163.03867	0.7
179.04857	2.6
179.93689	0.6
181.20509	0.6
241.84497	0.7
281.09900	49.0
282.10138	1.7
308.09222	1.1
413.13922	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	413.2144
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
57.07071	0.3
66.78380	0.2
69.03419	0.3
70.71453	0.2
70.71802	0.3
79.04845	0.4
81.03395	0.3
104.72092	0.2
111.74559	0.2
118.86935	0.3
147.04370	0.5
157.06406	0.3
169.01620	0.3
203.05241	1.3
224.32722	0.2
251.16130	0.5
265.75537	0.3
294.07587	0.2
369.15170	0.5
395.20181	0.6
413.21429	100.0
414.21725	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	413.2145
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
57.07066	0.4
58.35353	0.2
59.46336	0.2
68.48014	0.2
69.03411	0.3
70.01037	0.3
70.06591	0.6
70.57468	0.5
78.13666	0.2
121.02856	0.4
127.03946	0.4
137.05965	0.3
146.20770	0.2
177.05463	0.3
203.05286	0.9
223.15904	0.2
259.01117	0.3
275.58902	0.3
333.71036	0.3
395.20502	0.7
413.21432	100.0
414.21735	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	413.2168
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
50.00300	1.8
51.39560	1.6
58.81307	1.8
69.33113	3.4
69.33521	8.1
75.10035	2.1
79.05482	5.6
81.07050	15.8
85.02907	1.9
91.05432	4.1
93.07044	3.4
95.08611	4.5
97.06509	5.3
105.07011	12.3
107.08582	13.1
117.07008	14.8
119.08556	6.8
121.06483	3.0
129.06989	4.3
130.07751	1.8
131.08556	15.0
132.08899	2.4
142.07799	2.4
144.09306	4.8
145.10141	14.8
153.09103	7.8
157.10109	8.7
159.11679	100.0
161.13245	3.2
177.09100	3.3
187.14772	17.1
191.10802	2.5
215.14290	3.4
233.15320	56.9
244.88780	1.9
251.12651	2.2
256.64398	1.8
260.92664	1.8
281.82431	1.7
336.71133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83220	1.1
64.41331	1.0
66.03687	1.1
76.28857	1.2
81.07034	1.1
95.15938	1.1
105.07026	1.2
261.18213	2.5
383.29169	5.6
413.30228	100.0
414.30441	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	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40789	2.4
55.55879	2.4
57.03432	20.8
59.04995	5.1
61.02922	5.8
69.03421	75.4
70.06574	5.5
71.41283	2.7
73.02905	5.8
77.13062	3.4
85.02901	64.3
87.04459	56.5
94.48420	2.6
97.02892	66.2
99.04478	3.5
109.02826	4.5
115.03931	81.8
119.04860	2.6
126.87021	2.7
127.03920	9.4
130.08855	3.0
133.04953	100.0
145.04918	16.5
150.07611	5.9
151.03922	5.3
163.06041	6.2
180.08636	4.0
206.31401	2.7
277.09308	4.3
414.21808	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	414.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92416	3.1
53.03941	6.3
55.05514	5.4
57.03411	6.5
61.02923	8.0
67.05499	6.8
67.56676	2.9
69.03423	25.4
69.07050	3.5
70.06582	14.8
71.04988	5.6
71.41924	3.1
72.08157	3.9
73.84708	3.3
79.05497	10.2
81.03415	6.9
81.07055	10.6
85.02402	6.7
85.02902	100.0
85.06508	3.9
86.09695	13.4
91.03970	4.3
91.05471	10.9
93.07034	14.3
95.05016	3.5
95.08595	14.1
97.02892	25.0
99.04455	9.5
105.07022	29.4
105.54203	3.6
106.06536	12.7
107.04951	14.5
107.08590	10.7
108.05284	6.6
109.02870	11.2
109.10107	7.7
115.62164	3.2
117.07016	5.2
119.08569	21.7
127.03890	20.2
128.06172	4.0
129.06996	7.5
130.08618	3.3
131.08580	23.7
133.10117	22.4
135.08035	3.8
135.11652	4.9
142.07738	8.6
143.08586	17.0
145.04945	29.4
145.10110	15.0
147.04347	4.4
147.11641	21.7
149.13228	18.2
155.08560	4.3
156.09267	3.5
157.10118	23.4
159.11702	27.6
161.13239	5.3
163.03882	5.8
167.06927	3.9
171.11691	10.5
173.13252	24.1
175.14804	9.1
177.12749	24.5
187.14731	7.2
189.16388	30.0
199.14767	23.1
205.15894	12.4
217.15881	29.7
235.16888	14.2
248.17276	3.0
264.16519	3.4
326.16699	3.8
414.17993	13.9
415.15555	38.6
415.26392	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	414.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03989	2.3
55.01847	2.4
55.05509	15.3
65.03928	3.9
67.05500	20.7
69.03416	5.3
69.07061	10.4
69.43420	4.6
69.43832	9.2
70.20148	2.7
77.03914	2.8
79.05486	21.2
81.03408	3.0
81.07046	45.1
83.04990	9.1
83.08595	3.1
85.02905	6.1
91.05468	55.6
91.05981	4.5
93.03394	13.9
93.07039	64.9
95.04967	21.9
95.08598	36.8
97.02873	2.9
97.06531	4.1
103.05476	4.5
105.04508	5.7
105.07019	90.7
106.07370	3.3
107.08584	29.0
109.02924	2.7
109.06503	6.8
109.10117	16.5
109.71589	2.6
111.08096	5.2
115.05453	4.5
117.07013	14.3
119.08568	100.0
120.08993	3.0
121.06493	73.8
121.10136	13.4
123.08059	10.8
123.11685	5.9
125.05926	3.3
128.06207	18.4
129.06979	20.7
130.07776	3.8
131.08565	27.5
133.06570	2.7
133.10120	49.1
135.08020	7.2
135.11682	4.7
141.06990	4.2
142.07755	17.4
143.08553	55.2
144.09244	6.4
145.10098	32.4
146.10440	3.2
147.08040	5.5
147.11684	28.8
151.07419	2.8
155.08554	4.5
156.09375	6.3
157.10101	52.4
159.11684	51.2
161.09596	8.0
161.13268	10.9
169.10112	5.8
171.11650	16.8
172.57742	2.6
173.13266	12.2
175.11194	4.0
175.14795	3.5
184.12471	6.3
189.16330	23.3
199.14783	68.4
200.15152	5.2
217.15851	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	414.9537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98631	0.4
56.96558	11.4
71.00714	0.3
71.03556	0.3
71.40962	0.4
80.97778	0.3
97.02915	0.5
98.97571	89.2
99.56214	0.4
99.97901	0.6
106.56732	0.3
115.88141	0.4
116.98611	48.4
117.98994	0.7
130.93311	1.0
132.79520	0.4
134.99637	13.5
140.00214	0.4
153.00696	1.3
162.72968	0.3
172.94302	4.2
177.00937	0.6
190.95360	4.3
208.96518	1.1
214.95363	2.2
219.01955	0.6
223.02672	0.3
232.96449	6.9
250.97539	3.1
252.41211	0.4
256.96396	14.8
258.97040	0.4
258.99698	1.8
260.99622	0.4
261.03046	1.9
262.03085	0.6
263.03040	0.4
272.94473	0.4
274.97473	100.0
275.97885	3.2
276.97742	0.6
277.00821	1.7
279.00760	0.6
282.99994	0.5
292.98532	53.6
293.98871	1.3
297.99127	1.1
298.97778	0.6
301.01053	0.4
316.00031	0.6
316.98825	0.6
328.91010	0.8
408.86819	0.6
410.89233	0.4
414.95587	3.1
426.86816	1.2
432.91699	0.4
432.96533	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	414.9536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98652	0.5
56.96288	0.5
56.96562	10.4
57.48536	0.2
69.21955	1.5
71.95264	0.5
77.70592	0.3
94.62763	0.3
98.97573	87.6
99.97924	0.8
112.89626	0.4
114.19907	0.3
114.89347	0.7
116.55316	0.3
116.98611	45.6
130.93275	1.3
134.99644	13.1
140.00198	0.4
153.00667	1.1
154.93268	0.4
172.94331	5.0
190.95377	4.4
197.95207	0.6
201.44130	0.3
208.96436	0.8
214.95314	3.1
232.96413	7.1
250.97487	2.8
256.94055	0.2
256.96405	14.7
274.97473	100.0
275.97839	2.4
288.92267	0.3
292.98532	53.5
293.98730	1.4
297.98984	1.1
310.99545	0.4
316.00180	0.5
316.98871	0.5
414.95328	3.7
415.09698	0.5
432.96408	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	415.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	21.9
69.30166	2.8
69.30562	5.0
69.62112	1.1
78.81655	1.2
84.96017	8.8
91.05790	1.7
93.61243	1.2
98.97570	78.7
99.97893	1.2
110.97560	24.6
110.98296	2.3
112.99130	4.8
116.71978	1.2
116.98605	44.9
119.49860	1.3
128.35947	1.3
128.98601	32.6
131.00148	4.0
134.99644	15.7
137.42892	1.2
140.98579	2.4
141.49844	1.2
143.00140	5.0
144.98018	2.0
146.99652	20.1
149.01186	2.9
154.56824	1.4
158.99680	8.5
161.01254	6.9
162.99107	1.4
165.00731	1.8
170.99733	7.0
171.00932	1.3
177.00681	5.0
179.00130	3.8
181.01657	3.5
189.00670	7.3
190.95361	2.5
197.01137	6.0
199.02750	5.8
201.00684	6.2
211.02759	8.2
213.99037	1.3
218.99597	2.7
219.01744	55.4
227.02197	4.4
229.03778	12.3
232.96486	3.5
237.02779	100.0
247.04849	1.9
250.97440	1.5
253.03763	3.5
255.03844	6.7
256.96466	4.4
265.03775	1.8
271.04785	2.7
274.97479	35.1
275.97766	1.9
283.04834	1.5
289.03613	1.6
292.98502	20.7
295.04758	3.4
307.04852	7.9
325.05957	12.5
337.05991	2.6
337.57208	1.6
343.06967	8.5
344.97598	2.4
355.06940	72.5
356.07285	2.9
373.08032	26.3
374.08426	2.0
383.10205	1.4
415.09058	9.0
415.14456	1.9
432.96194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96096	6.5
63.05838	6.0
70.67162	15.9
79.32175	6.3
84.06496	5.9
97.46231	6.8
98.97573	15.1
112.89603	10.3
114.89333	19.7
116.98601	11.3
124.03816	6.3
129.25972	5.9
136.94008	12.7
155.88170	6.0
180.12738	7.0
274.97495	24.1
292.98407	17.1
308.10651	6.7
415.09982	100.0
416.09760	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	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	13.4
63.58390	13.1
66.04598	11.3
83.20351	13.2
92.25727	12.1
98.97565	89.6
113.74470	11.8
116.98630	62.3
134.99655	34.5
147.90112	14.9
172.53381	12.7
237.02583	12.9
258.99854	31.5
274.97470	60.8
277.00912	23.0
290.94824	16.6
292.98505	28.8
301.00967	17.2
415.04556	18.8
415.09885	100.0
416.09958	20.0
436.25403	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	415.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92319	6.1
56.96555	25.2
64.37902	7.2
69.29675	34.7
70.10429	7.3
75.98406	5.7
84.96027	8.9
96.37852	6.3
98.97577	100.0
100.95789	6.7
106.58459	6.3
110.97572	21.4
115.49698	6.9
116.98627	26.3
128.98590	15.5
133.10124	25.7
146.99680	12.1
152.98627	7.9
158.99644	19.8
177.00719	8.1
219.01776	17.2
237.02861	23.8
277.58301	7.4
278.26038	6.2
308.45557	6.1
329.12637	25.5
347.13748	79.0
348.13834	8.7
371.13974	7.0
382.29568	7.1
415.13501	58.3
429.28641	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	415.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22034	0.5
55.32897	0.4
56.53331	0.5
69.03450	0.8
69.07066	1.7
69.37316	2.0
72.08192	0.5
77.21585	0.5
79.05491	0.7
86.09690	1.2
91.05822	0.8
95.72830	0.6
98.22658	1.0
107.04955	0.6
127.03996	0.5
147.04460	0.5
163.03931	2.3
167.07054	1.3
171.63988	0.5
175.03641	2.4
175.13533	0.4
181.05005	1.5
185.04196	6.2
187.19026	0.6
201.05228	0.6
201.87405	0.5
207.06578	1.1
219.06775	0.6
231.53342	0.5
253.10580	2.2
271.11511	1.3
288.81650	0.5
329.08554	0.5
344.97980	0.7
345.07898	2.5
347.09354	3.0
353.15515	4.5
355.13589	1.4
385.12628	0.7
387.14423	0.7
397.14328	0.9
415.15744	100.0
416.16238	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	415.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
79.70402	1.6
79.93026	1.5
85.02869	1.6
98.22617	3.6
98.97593	2.2
104.67555	1.7
129.76480	1.7
133.10129	6.8
164.58051	1.5
167.03203	4.3
185.04216	3.4
227.05226	15.4
271.04224	58.3
272.04654	2.0
289.27744	2.0
305.52899	1.8
315.22162	1.6
329.15646	3.6
371.16745	20.8
415.15704	100.0
416.16003	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	415.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	10.5
69.03426	33.3
72.08160	9.7
78.57665	8.0
81.03408	15.2
84.75789	7.9
85.02905	100.0
86.09686	33.7
91.05481	75.7
97.02905	37.3
99.04462	47.5
103.03947	82.0
105.07027	12.4
107.04929	11.2
109.02895	18.2
114.41154	8.1
121.84663	7.0
127.03912	93.2
145.04959	74.2
163.03914	20.0
163.05995	32.1
167.07065	11.4
181.04941	22.3
233.08192	10.1
234.96817	11.0
252.97980	11.9
371.16464	8.2
387.14352	9.3
415.14450	13.2
415.19244	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	415.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61411	1.4
62.24778	1.3
62.77121	1.8
65.58551	1.5
66.15423	1.4
67.05499	2.2
69.63940	5.2
79.05455	1.8
81.07030	1.7
84.80883	1.5
88.26717	1.7
89.35634	1.3
91.05424	7.4
93.07029	2.8
95.08649	1.7
98.98428	1.7
100.25488	1.4
103.05412	1.5
107.08582	2.1
109.10173	1.5
112.80436	1.8
117.07030	3.0
119.08571	100.0
120.08887	2.5
133.06540	1.7
142.55420	1.3
155.01060	2.4
156.62636	1.6
190.98441	1.5
202.21078	1.6
261.22128	3.0
268.81931	1.5
309.08316	1.5
316.88919	1.5
326.39423	1.6
344.98117	1.7
415.13077	3.0
415.18723	57.7
416.19049	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	416.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01857	1.3
67.05484	2.7
68.99775	1.7
77.03906	1.4
79.05461	1.9
85.02890	1.4
87.04459	28.5
89.91149	1.1
91.05478	1.4
95.04951	7.1
98.22625	2.5
99.65409	1.0
105.03397	2.0
107.04921	2.8
110.06009	2.3
111.04439	1.3
116.28349	1.0
119.04871	1.5
121.02825	1.4
121.06501	1.9
123.04425	26.9
124.26557	1.0
125.05988	1.8
133.05251	1.2
133.06544	1.1
134.05942	2.4
135.03123	4.2
135.04288	1.4
137.05998	1.7
138.05431	1.6
139.03888	1.9
141.05450	2.0
144.71237	0.9
145.06429	1.4
147.03162	1.5
147.04401	1.2
148.03929	15.9
149.05936	1.3
150.05496	5.7
151.03970	2.0
151.05032	3.2
152.30809	1.0
153.05457	93.1
154.05768	1.8
159.08025	2.4
161.04689	2.3
161.05946	2.5
162.05466	5.1
163.03917	4.1
163.07608	1.9
164.04674	1.2
165.16449	1.2
166.05045	1.6
173.05978	1.6
175.02614	3.2
175.07584	1.5
177.05318	1.2
178.04968	21.8
178.06374	1.9
185.05891	1.1
187.07533	4.5
189.05464	5.7
190.04970	75.1
191.05440	3.3
191.06999	2.7
192.06549	2.5
202.08482	1.2
203.07080	2.4
205.08588	3.1
216.06560	1.9
230.08167	3.1
233.08066	3.1
251.09184	1.6
251.58798	0.9
268.05963	2.8
276.08698	2.3
284.09030	1.2
286.06992	2.0
296.05505	3.8
298.07275	1.5
312.08633	7.5
314.06561	8.8
315.07120	2.2
328.08188	1.6
329.08868	31.9
330.09695	62.3
331.09991	4.5
332.11163	1.9
343.09869	1.2
370.12833	2.2
388.13983	1.4
398.12369	2.8
407.24890	1.2
416.13275	100.0
417.13766	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	416.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04978	2.4
50.51957	2.4
53.03934	11.1
53.83475	2.3
55.01863	7.3
57.03424	4.1
60.59463	2.3
61.02911	5.0
67.30011	2.5
68.59308	2.3
69.03421	30.0
69.03761	4.1
69.24636	12.0
69.56656	2.3
70.06568	9.0
70.26056	2.6
71.04987	5.5
73.02909	100.0
77.30563	2.2
81.03413	25.1
85.02892	53.6
85.66077	2.4
87.04469	3.0
89.06025	4.7
91.03954	66.6
91.05484	5.5
97.02882	63.1
97.95705	2.4
99.04453	11.4
104.81880	2.9
107.08563	3.7
109.02859	30.2
119.04918	12.6
119.68338	3.0
123.04461	3.7
127.03898	53.5
127.04763	5.0
145.04947	44.5
147.04401	62.1
147.05573	4.2
148.04723	4.7
163.03915	6.0
163.05992	4.3
165.05446	3.7
184.68286	2.8
217.07114	27.2
235.08006	15.2
262.42850	2.6
372.16965	6.3
416.15805	30.8
417.16077	5.0
431.35123	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	416.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.05502	2.5
61.02923	1.0
62.31160	0.9
67.05494	1.5
69.03429	2.4
69.07061	1.2
69.55256	2.0
69.55655	2.7
74.32055	0.8
79.05495	2.3
81.03415	1.6
81.07061	2.8
85.02895	6.6
87.00847	1.6
91.05467	17.5
93.07030	3.0
95.04959	1.6
95.08608	2.6
97.02886	1.8
105.01864	2.7
105.07016	17.4
107.04954	1.1
107.08595	3.1
109.02865	1.7
109.10136	2.0
115.05420	0.8
117.07029	3.6
119.08618	4.0
121.10114	2.1
127.03898	3.7
131.08559	4.9
133.10117	100.0
134.10458	3.8
135.11693	1.0
143.08511	1.0
145.04988	1.8
145.10118	5.8
147.11668	1.5
157.10072	0.8
159.02896	1.1
159.11687	2.6
167.07037	8.6
173.06174	0.8
173.13326	1.0
181.04948	3.5
201.16425	4.6
219.17429	1.1
417.15765	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	9.9
69.15298	10.8
71.77481	1.5
76.17165	1.6
77.34045	1.8
90.75494	1.7
98.22631	1.8
98.97579	99.7
100.97186	2.2
100.98029	1.8
104.65593	1.5
116.98622	52.0
117.99012	2.0
124.58520	1.7
134.99658	20.4
137.00171	1.7
166.45837	1.5
172.94374	3.4
181.82030	1.6
190.95447	3.3
212.71474	1.6
214.95491	2.1
216.98972	1.7
232.96486	6.6
234.99956	3.5
236.99925	2.6
240.98785	2.0
250.97585	2.8
256.96423	19.8
257.97174	1.9
258.97052	2.6
258.99817	15.0
260.00162	4.7
260.99838	3.0
261.03174	3.4
261.99985	2.5
270.13336	2.1
274.97513	100.0
275.97937	4.2
276.97583	9.5
277.00909	14.8
278.01056	3.7
279.00946	4.2
283.00055	11.0
284.00195	6.0
284.99878	6.8
285.99719	1.7
292.95169	2.9
292.98538	58.8
293.98862	2.8
294.98749	5.0
298.97821	4.0
300.97665	3.6
301.01077	14.4
302.01114	7.9
303.00766	9.3
304.00800	1.9
316.98816	4.6
317.99170	2.5
351.70605	1.6
398.97479	3.4
416.99075	10.7
425.01257	3.0
426.01602	1.8
427.01242	3.4
428.01477	1.7
443.02499	8.7
444.02362	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	417.1155
Annotation	Daidzin
Peak:m/z	Relative Intensity
69.25207	27.7
70.06589	7.6
70.29070	5.5
71.29333	4.4
74.09136	4.5
79.05489	5.1
81.07014	9.1
86.09710	6.4
93.07046	8.4
98.23427	11.4
112.31950	5.1
123.08040	4.7
127.03960	5.6
135.08028	6.1
145.04971	5.1
151.03836	5.7
163.03857	9.1
176.28188	5.2
252.13557	5.2
255.06265	34.4
417.11444	100.0
417.16452	21.7
418.11713	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	417.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	17.5
66.26003	4.4
84.96017	11.1
86.77364	3.6
98.97572	65.2
99.66679	4.0
107.56583	4.3
110.97573	17.2
116.98617	29.7
128.98622	15.0
137.61690	4.1
143.00137	4.6
144.98029	4.4
146.99686	6.4
152.98555	7.8
158.99615	12.7
161.01193	5.8
162.99136	4.9
167.07027	11.9
170.99611	11.3
177.00636	8.9
178.37404	4.1
216.40376	4.1
219.01834	21.2
237.02756	27.1
257.15131	3.8
331.14206	31.5
349.15308	100.0
350.15817	6.6
367.55875	3.8
373.15204	9.2
391.16220	8.9
396.24435	4.0
417.15158	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	417.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.9
56.96561	16.4
57.45917	3.6
64.17509	3.2
67.05466	4.3
69.03413	13.5
69.26493	8.7
69.26875	9.6
73.02882	4.6
79.05476	9.2
81.03396	12.3
81.07067	4.1
82.03733	4.3
84.96029	8.4
85.02893	32.2
86.03256	6.5
87.00813	12.7
91.05454	7.2
93.07042	15.6
95.04988	3.7
97.02885	12.3
98.97569	58.9
99.04452	6.4
103.05467	9.3
105.01878	11.5
105.07000	6.8
107.04937	5.3
107.08611	22.2
109.02868	11.8
109.06477	7.4
110.03169	4.6
110.97570	13.6
116.98611	28.1
117.07011	5.2
127.03893	22.9
128.04247	7.0
128.98605	9.5
131.00130	4.4
131.04909	4.8
134.99658	7.3
135.11722	5.4
138.18156	3.7
140.98547	5.6
143.00136	9.9
145.04948	8.9
146.05302	5.8
146.99666	6.3
152.98576	6.6
158.99651	17.5
159.02888	7.0
161.01193	8.3
162.99194	5.2
163.07571	8.7
167.07001	58.1
170.99626	11.0
173.06000	8.3
177.00699	13.3
181.04936	31.1
191.07016	27.6
219.01772	21.8
231.04800	6.1
237.02835	26.6
331.14157	35.7
349.15341	100.0
350.15521	5.5
372.17062	4.3
373.15692	5.2
387.14453	5.7
391.16205	11.5
417.15018	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	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
65.03946	1.2
67.05508	0.5
70.72330	0.5
77.03918	0.3
78.04707	2.6
79.05486	1.6
81.03381	0.4
81.07060	0.4
82.04187	0.6
85.02890	1.1
91.05457	0.9
93.03400	0.4
95.04974	1.3
96.05752	0.3
97.06531	0.5
103.05469	0.6
105.03387	0.5
106.04162	1.7
107.04957	1.3
109.06493	0.4
109.78896	0.2
110.03658	0.7
111.04408	0.2
115.05447	3.4
117.07004	5.0
117.55443	0.3
119.08573	0.2
121.02866	0.3
122.03640	0.6
123.04422	6.8
124.05224	2.7
125.05933	0.5
127.05411	0.9
129.06990	0.3
131.04897	0.4
134.03577	0.5
137.05954	0.6
138.03040	0.3
139.07506	0.3
142.02457	0.3
143.04944	0.5
145.06476	8.4
151.03854	1.4
152.04669	2.1
153.05449	1.1
155.04904	0.3
155.06026	4.5
161.05969	0.3
167.07025	100.0
168.07335	3.4
171.06528	1.1
173.05972	14.9
174.06398	0.6
175.07574	0.5
181.04944	20.3
182.05327	0.7
190.60699	0.2
191.06981	0.7
195.06505	0.4
201.05415	0.7
205.08612	3.5
221.07948	0.4
233.08084	7.6
234.08458	0.4
235.07562	0.4
235.09651	3.2
321.17398	0.2
355.11179	0.3
387.14337	12.6
388.14584	1.3
417.15396	25.4
418.15805	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
59.20114	0.4
63.79506	0.3
65.03937	1.8
67.05489	1.1
68.99760	0.4
69.03388	0.4
69.79329	0.7
69.79714	0.7
71.13425	0.3
72.08151	0.5
74.06062	1.3
78.04693	2.9
79.05475	1.2
81.03441	0.4
82.04198	0.5
85.02886	1.5
86.09701	2.5
87.00843	0.3
88.66115	0.3
91.05465	1.4
91.25307	0.3
95.04951	1.3
97.06472	0.4
105.01827	0.3
105.07038	0.3
106.04177	1.8
107.04939	2.4
108.55459	0.3
109.02888	0.4
109.50577	0.3
110.03608	0.6
111.04398	0.7
115.05442	3.2
117.07002	5.6
121.02881	4.0
121.06498	0.4
122.03649	0.5
123.04417	7.5
123.09190	0.4
124.05221	2.4
125.06001	0.8
127.05477	0.5
128.91170	0.3
134.03592	0.5
137.05988	0.5
138.03082	0.6
143.04951	0.5
144.05704	0.8
145.06473	7.8
148.15884	0.4
151.03882	1.3
151.08661	7.9
152.04663	1.6
153.05437	1.0
155.05994	3.6
156.25664	0.3
167.07021	100.0
168.07397	3.3
169.09723	1.3
170.20068	0.3
171.06526	1.7
173.05965	14.7
174.06430	0.4
177.05363	0.4
178.54079	0.3
181.04938	18.4
182.05206	0.8
197.09225	0.4
201.05399	0.8
205.08575	2.7
230.25089	0.4
233.08054	8.3
233.10226	0.8
235.09653	3.2
261.07611	0.8
387.14340	12.8
388.14682	1.2
417.15396	24.6
418.16019	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01843	0.9
65.03902	1.4
67.05476	1.2
69.03407	0.7
71.26931	0.5
76.79182	0.4
77.51822	0.4
78.04693	3.6
79.05446	1.9
81.03340	0.6
81.07027	1.2
82.04173	0.4
85.02870	2.2
86.09686	1.4
86.67401	0.4
91.05434	1.5
95.04931	1.9
97.06505	0.7
103.05421	0.4
105.06999	0.8
105.42029	0.4
106.04130	1.9
107.04930	1.7
108.02142	0.4
110.03637	0.7
111.04408	0.5
115.05465	3.1
117.03520	0.4
117.07018	5.2
122.03651	0.6
123.04423	7.5
124.05242	2.6
126.20380	0.5
127.03929	0.4
127.05394	0.8
134.03609	0.8
135.04349	0.6
137.05930	0.7
138.03128	0.5
145.06482	9.5
151.03925	1.2
152.04657	2.0
153.05415	1.6
155.04913	0.5
155.06024	4.5
167.07024	100.0
168.07365	2.4
169.12134	1.3
171.06487	1.1
173.05977	15.3
181.04944	19.8
191.07074	0.8
201.05379	0.6
205.08598	3.6
227.05205	0.8
230.86456	0.5
233.08098	7.9
233.10468	0.6
235.09619	3.7
310.22443	0.5
331.17203	2.4
339.46542	0.5
372.41406	0.5
373.18307	14.2
374.19055	0.5
382.09668	0.4
387.14291	12.9
388.14679	0.6
417.16727	39.6
418.16431	2.9
424.63748	0.5
434.88956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88858	2.5
71.36668	4.5
101.67152	2.6
130.06635	2.7
138.61276	2.4
182.90167	2.6
197.11555	2.6
244.11545	2.4
249.15721	100.0
250.16037	5.2
291.18994	2.5
417.11230	4.1
418.16809	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	417.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.5
56.70440	4.6
67.05499	12.9
69.03428	10.4
69.07070	24.3
71.04986	13.7
79.05497	13.5
81.03444	5.7
81.07059	20.4
85.02896	16.9
91.05468	10.8
93.07053	22.8
95.08601	18.1
97.02896	6.9
97.06503	7.3
104.67721	4.7
105.07045	32.6
107.08587	22.1
109.02856	5.6
109.10155	16.3
115.05453	4.8
117.07036	5.5
119.08561	9.5
121.10133	16.3
123.04446	11.7
125.09661	13.5
133.10104	42.6
135.11674	9.2
135.89436	6.0
139.11224	4.9
143.10680	15.8
145.06490	11.1
145.10107	5.0
147.11685	11.6
149.13243	10.2
155.06036	7.8
159.11699	5.6
161.13293	7.1
163.03934	8.6
167.07037	100.0
167.14252	26.2
173.06026	18.7
181.04913	30.2
201.16357	8.4
202.25206	4.4
219.17393	17.5
233.08138	5.5
237.18419	6.6
254.98105	7.1
286.20883	4.6
387.14380	17.3
417.15326	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	418.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48160	0.3
59.56078	0.3
63.02362	0.7
69.69894	1.0
69.70238	0.4
69.97599	0.4
70.06592	0.8
72.08154	0.7
74.28053	0.3
77.03916	0.5
79.05502	2.0
85.02871	0.4
89.03912	11.3
91.05447	0.4
95.04979	0.5
97.02887	0.4
105.04508	0.5
107.04947	2.7
108.08138	0.4
111.06765	0.3
117.03364	13.4
118.03702	0.4
120.04433	1.2
122.06040	0.6
124.07557	0.4
130.06599	0.3
134.06004	0.6
135.04405	26.0
136.04749	0.8
136.07559	0.5
137.05948	0.5
138.05507	0.7
138.09106	0.6
145.02838	15.7
146.05957	0.5
147.04356	1.5
148.03931	4.8
148.07484	0.6
152.06987	0.4
153.07843	3.2
154.08635	2.0
161.05934	0.6
162.05598	0.6
163.03885	100.0
164.04298	2.6
164.07050	1.5
166.08632	2.5
174.05507	1.5
181.07335	0.5
182.08101	2.4
184.20844	0.4
192.06572	4.0
193.07259	0.5
194.08061	0.4
197.97542	0.4
207.06508	1.1
210.07599	6.9
220.05983	0.4
221.08141	1.9
228.08667	4.0
237.17421	0.4
238.07083	9.0
239.07527	0.4
256.08136	53.5
257.08444	1.6
269.04462	0.3
389.78568	0.3
418.11353	1.1
419.15045	0.7
423.01978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36664	0.6
51.02369	0.7
53.03936	2.7
55.01871	2.8
55.05499	1.8
57.03434	1.6
57.07064	2.3
61.02914	1.6
65.03934	0.8
67.05480	0.8
69.03425	8.5
69.07076	1.8
71.04972	1.0
73.02910	2.0
74.26113	0.7
77.03945	1.4
79.05486	49.2
80.05827	1.1
81.03412	6.6
81.07053	2.9
85.02898	26.6
87.00829	9.6
91.05476	17.7
93.07039	100.0
94.07359	1.8
95.04963	12.3
96.05354	0.8
97.02882	9.4
99.04417	4.2
105.01164	0.7
105.01864	15.5
105.04523	4.3
105.07022	2.8
107.08587	38.0
108.04453	2.0
108.08910	1.7
109.02875	8.3
109.06506	1.1
117.01844	1.1
119.05985	0.7
119.08588	1.0
121.02864	3.8
122.03208	1.9
126.05578	0.7
127.03909	20.5
127.22326	0.7
135.11682	44.8
136.12010	2.2
145.04951	11.4
152.14368	1.9
159.02901	5.6
167.07060	1.3
183.67848	0.8
189.04021	0.7
201.80566	0.8
204.87927	0.7
225.12642	0.8
231.05042	6.9
248.07706	0.9
249.06061	2.7
334.52475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.9
55.36533	9.6
63.61249	9.7
79.05520	11.1
81.03371	12.6
81.07058	14.3
84.08167	9.2
85.02900	10.5
91.05473	26.8
93.07042	93.2
95.04931	13.8
95.08558	10.4
97.02883	10.7
97.27656	9.5
98.22688	20.4
105.07054	16.0
107.08591	76.5
107.18282	10.7
112.97221	9.5
113.35808	9.2
127.03938	15.1
133.10133	42.6
134.10449	27.1
135.11676	100.0
160.43945	11.4
167.07013	38.9
168.07275	15.6
181.04999	14.6
223.06241	10.4
241.09843	9.1
265.57736	10.6
276.93204	10.3
418.15674	13.1
421.50476	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	418.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56393	4.4
55.05495	5.8
62.44376	4.0
65.96381	4.5
69.82188	10.3
69.82550	10.3
70.60442	4.9
78.03619	5.3
83.08629	6.4
87.55443	4.7
93.07094	4.5
105.06990	10.4
112.51554	4.3
119.08586	16.3
121.10239	7.4
131.08562	16.9
133.06465	8.8
143.08591	6.0
147.08043	9.3
147.11682	4.9
156.78064	4.1
161.13197	24.5
165.09033	6.9
167.41588	4.3
171.11713	21.0
175.07487	6.0
175.11159	5.2
189.12753	56.5
199.11214	11.7
217.12216	100.0
245.11758	7.0
249.14832	49.1
277.14325	84.1
281.17358	23.7
309.16983	29.0
341.19495	38.1
369.19031	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.9
58.68568	2.6
59.04985	3.0
67.05508	13.2
69.03437	4.0
69.07053	9.5
69.25657	12.2
71.04985	6.7
74.77631	2.4
79.05485	19.7
81.07059	19.9
83.04980	5.4
83.08621	4.6
91.05475	35.5
93.07037	41.3
95.04939	13.7
95.08600	15.8
98.23399	6.7
103.05486	3.7
105.07020	100.0
107.08584	34.6
109.06508	83.2
109.07217	5.3
109.10143	14.2
111.08073	12.6
115.05440	5.7
117.07021	18.4
119.08569	56.2
121.06496	5.6
121.10143	32.5
123.08070	10.6
125.09604	6.3
128.06216	10.8
129.07001	17.5
130.07800	8.7
131.08548	32.8
132.05663	2.2
132.09283	4.1
133.06493	3.0
133.10117	34.9
135.08075	15.3
135.11699	8.6
137.09595	19.5
141.07019	6.5
142.07777	19.2
143.08556	37.1
144.09329	10.1
145.06453	3.2
145.10107	57.2
147.08035	15.7
147.11684	17.7
149.09601	5.8
154.07706	3.3
155.08545	12.4
156.09352	10.9
157.10121	47.3
158.10797	4.0
159.08076	5.6
159.11665	26.5
161.09639	4.6
161.13246	6.5
165.06993	8.2
167.08563	6.5
168.09404	5.9
169.10107	19.2
170.10863	5.9
171.11676	28.2
172.08780	3.2
172.12486	5.4
173.09651	5.3
173.13243	16.5
175.11179	6.6
175.14839	5.2
178.25122	2.6
179.08551	9.7
180.09409	5.3
181.10159	13.5
182.10893	5.8
183.11656	23.2
184.12402	5.1
185.09708	3.4
185.13278	15.1
187.14833	5.4
189.12761	5.8
192.09351	4.2
193.10107	7.6
194.10945	4.9
195.11671	20.1
196.12486	5.6
197.13229	15.1
199.11200	6.8
199.14792	7.6
201.12761	5.4
206.10806	4.1
207.11717	17.0
208.12326	4.6
209.13268	18.0
210.13965	3.4
211.11061	4.4
211.14883	12.0
213.12749	5.4
217.10135	4.4
219.11653	4.1
220.12503	5.1
221.13271	12.2
222.13988	5.4
223.14867	12.5
225.16460	4.7
230.10767	2.5
231.11711	3.2
233.13342	3.1
235.14847	9.3
237.16307	12.9
239.14325	2.9
241.15849	2.6
245.13295	4.9
247.14868	7.4
261.16284	3.4
265.15945	3.5
295.20374	2.8
301.19528	4.2
323.31503	3.0
357.25803	5.1
375.27017	4.1
418.29251	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	418.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	4.6
69.82476	3.1
69.98669	1.4
70.06593	15.0
71.08630	3.6
85.44620	1.2
86.75016	1.4
88.07626	13.6
95.63712	1.2
100.16817	1.5
102.09190	3.2
114.09155	9.9
127.56916	1.3
128.11046	1.3
132.10194	29.9
164.32838	1.2
176.12854	3.9
194.13882	4.7
197.01212	1.4
298.31119	1.8
312.32474	4.0
330.33640	1.9
336.16440	4.1
364.18036	1.9
418.38876	100.0
419.24094	3.1
419.39197	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	419.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99915	0.4
62.68825	0.4
69.10915	0.4
69.11229	3.4
71.29402	0.4
79.95774	0.4
86.02802	0.5
94.93006	14.6
95.80511	0.4
98.22722	1.1
99.41940	0.4
116.98587	0.5
120.94551	1.9
121.77934	0.6
136.94014	100.0
137.94490	0.5
140.64865	0.5
144.12967	0.6
148.94016	32.0
150.95622	0.7
153.96519	0.5
162.95695	0.6
166.95074	51.9
178.95056	6.8
179.98195	0.7
190.95132	1.5
196.94298	0.9
196.96111	16.1
199.16498	0.4
208.96049	2.5
220.96175	1.4
222.98862	1.8
238.97176	1.6
256.11398	0.5
256.95673	1.0
256.98230	13.3
270.97583	0.6
277.66119	0.5
278.94958	0.6
288.52652	0.5
292.91333	1.6
296.97940	0.5
298.99414	0.7
320.84988	0.6
320.90860	9.6
320.96164	1.6
338.91846	0.9
419.03485	15.9
420.03708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
67.05492	0.3
69.03427	0.4
69.15420	1.1
69.15824	0.4
71.08645	0.2
71.33218	0.2
79.05492	0.6
80.05824	0.2
81.07053	1.0
85.02886	0.5
87.00841	0.3
91.05481	0.8
93.07034	1.4
94.07373	0.3
95.04976	0.6
95.08602	0.5
97.02879	0.3
100.11237	0.6
103.05486	0.5
105.01854	0.2
105.07036	0.7
107.08591	0.8
108.08939	0.4
109.02863	0.4
119.08578	0.3
119.82481	0.2
121.06484	1.6
127.03909	0.4
128.06277	0.2
131.08578	0.3
135.11707	0.4
145.10130	0.5
157.10139	0.4
159.11636	0.3
184.13338	0.3
196.21219	0.3
201.03688	0.6
202.96790	0.2
203.05264	4.8
210.14807	0.3
219.00421	0.2
312.08636	0.6
343.60553	0.2
406.63104	0.2
419.20367	100.0
420.15063	0.4
420.20682	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	420.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94724	0.9
60.77000	0.9
61.95899	1.0
70.11105	3.0
75.04476	100.0
82.07803	1.2
95.04974	1.4
95.15829	0.9
120.04407	1.6
123.04427	2.4
132.04448	2.2
133.02832	2.3
148.03844	1.1
149.02269	1.3
150.05460	1.1
151.02771	1.1
151.03851	4.5
153.05481	1.3
162.05540	2.5
163.03804	2.3
165.01794	2.1
167.03404	2.5
176.03445	4.1
178.04980	5.8
182.08133	2.6
192.06546	13.7
206.04489	4.2
208.06009	2.1
220.06030	11.4
223.58794	1.0
234.03770	1.0
248.05534	1.5
252.08687	4.9
253.09315	1.0
280.08160	11.4
286.06735	1.2
300.08762	1.6
301.05899	3.0
302.06671	2.5
304.11945	1.2
316.08176	8.0
317.08884	1.2
328.08078	5.3
332.11243	13.4
356.07587	1.7
360.10675	17.8
388.10010	1.4
402.11847	5.3
420.12854	86.9
421.13174	4.8
442.77679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06379	2.0
53.03938	6.7
55.01864	10.0
57.03434	6.6
61.02921	7.4
68.99789	3.5
69.03420	28.6
71.04997	3.9
72.98924	2.0
73.02930	5.6
81.03404	26.1
85.02896	100.0
87.00822	37.5
91.05479	7.5
97.02885	29.9
99.04473	13.4
103.03907	2.5
105.01851	39.1
105.07053	2.2
109.02873	27.2
117.01846	3.4
119.04984	5.1
127.03905	54.5
127.62125	1.9
129.01852	3.7
129.07011	4.0
134.39803	2.0
137.05960	43.1
145.04951	27.2
147.02902	2.1
147.04404	3.7
151.07532	14.0
153.06931	2.7
159.02878	16.0
159.03981	2.3
161.05960	12.1
165.05470	4.3
175.07466	5.3
179.07018	27.1
180.02536	2.0
189.03909	5.6
191.01924	2.1
197.74858	2.4
203.06956	11.8
217.08458	3.1
221.08078	13.6
227.07066	2.1
231.04950	11.9
238.87543	2.2
245.08012	22.6
263.09128	24.3
349.09161	5.6
367.10245	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	420.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69878	0.5
55.26392	0.6
57.03427	2.4
59.75020	0.6
69.03412	0.8
69.47614	2.3
70.06577	0.7
71.01334	0.7
73.02901	0.6
74.12356	0.6
81.30913	0.6
84.08109	0.7
85.02892	3.1
95.01317	2.1
95.04964	0.9
97.09656	0.5
98.97603	0.6
104.79533	0.6
107.04941	100.0
108.05283	3.0
113.02365	0.9
137.05943	1.7
139.03850	0.6
141.01826	4.2
149.02390	0.6
153.05440	4.9
163.03917	1.3
194.67422	0.8
203.90913	0.7
209.08060	35.2
210.08405	1.4
215.80325	0.6
227.09134	11.7
281.08533	0.6
367.09921	0.7
385.10873	1.2
388.14679	0.8
420.15555	5.8
421.16498	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	420.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.9
53.52155	4.1
54.53481	3.7
55.01872	8.8
58.83994	4.4
61.02909	5.8
68.99787	5.7
69.03423	27.1
71.42285	4.8
73.02932	6.3
80.21202	4.2
81.03417	29.3
85.02899	100.0
87.00813	37.6
91.05482	9.8
97.02884	27.2
97.56386	4.0
99.04440	12.3
99.38101	4.7
103.03941	5.5
105.01854	42.3
105.07013	5.3
109.02864	31.7
119.04894	7.0
127.03912	53.5
137.05956	32.4
140.08984	4.3
140.92555	4.3
145.04958	27.3
151.07521	8.3
159.02878	16.6
161.05980	12.0
165.05414	7.2
179.07034	25.0
189.03864	8.0
191.03157	10.1
203.07002	9.1
221.07973	13.3
228.99541	5.1
229.37556	5.1
231.04974	15.7
245.08080	20.5
263.09048	22.9
349.09155	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	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
57.03177	1.5
57.03435	19.7
59.04993	4.5
60.04515	2.6
61.02912	3.0
61.79655	0.9
65.03924	2.5
69.03423	67.3
71.01334	0.9
71.41624	1.0
73.02904	5.8
74.62339	0.8
75.04491	1.3
79.05483	2.6
81.03407	3.0
85.02898	53.0
87.04462	47.1
91.05473	100.0
92.05805	2.4
93.07018	1.1
95.04912	1.1
97.02886	65.8
98.32397	1.0
99.04459	3.0
101.02380	1.3
103.03916	1.4
105.07056	4.9
107.04948	7.3
109.02884	2.3
113.07128	1.2
115.03924	73.1
117.05461	2.4
117.07004	1.7
119.08601	1.0
121.02859	7.6
121.06490	8.6
123.04382	1.0
125.19197	1.0
127.03910	6.5
129.06987	1.3
131.08568	2.3
133.04955	76.9
133.06387	6.4
134.05251	1.9
137.05927	1.4
138.09158	2.5
145.04950	10.0
145.06462	2.0
150.07611	11.2
161.04466	2.7
163.06039	4.2
163.07698	0.9
163.11198	2.4
169.04953	1.1
175.07538	2.9
180.08774	1.1
205.08572	2.7
217.08546	2.9
223.06133	1.4
223.09631	8.1
227.12735	1.5
235.09688	1.3
241.07039	2.7
259.08017	2.7
277.09070	1.8
295.10056	1.3
379.56369	1.0
442.09915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45694	3.2
57.03438	21.8
61.37457	3.7
69.03430	59.9
69.71185	15.1
73.02906	8.2
85.02895	48.9
87.04465	45.8
91.05479	100.0
97.02884	64.0
99.94892	3.6
105.07012	4.8
107.04913	5.1
113.50442	3.7
115.03931	76.0
127.03942	7.6
133.04956	83.3
133.06473	7.4
133.46992	3.9
145.04964	13.4
150.07616	13.5
157.29219	3.4
163.06010	5.0
181.11824	4.0
181.88043	4.0
217.08568	5.1
223.09660	8.7
227.12842	6.5
244.30112	4.7
246.14926	4.9
259.08115	5.4
347.69376	4.3
347.74033	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
58.56112	2.4
62.83859	2.1
68.12315	2.3
69.03443	3.8
75.04474	100.0
75.09454	1.9
76.47601	2.2
77.32587	2.4
79.05520	2.7
81.07054	80.5
85.02901	8.4
87.00840	2.4
88.32260	1.8
95.08602	8.4
99.19800	1.9
105.01865	5.9
106.29723	2.0
110.84019	2.0
123.04434	5.2
126.98821	2.2
127.03915	8.0
137.13239	28.3
145.04964	6.0
162.05522	4.1
182.08162	6.5
192.06544	38.8
248.07942	2.4
284.09573	3.5
296.09085	2.9
298.06958	3.8
314.10245	12.8
326.06470	16.0
331.78998	2.1
346.12784	16.2
356.11240	27.3
357.11584	2.5
388.13870	44.9
389.14108	2.8
420.16443	2.6
437.86185	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02647	3.6
54.17374	3.1
55.04749	2.8
57.03444	15.7
61.02912	4.1
69.03418	20.6
69.16646	18.5
73.02911	27.0
75.03906	3.2
79.05500	5.1
85.02901	35.9
85.06535	13.5
86.62756	3.0
87.04442	10.4
91.05474	100.0
95.06045	4.0
97.02882	45.3
105.07005	6.5
107.04926	3.9
107.08575	4.3
111.04426	3.9
113.07111	11.1
115.03912	29.6
121.06547	7.4
121.10110	6.2
126.58406	3.3
127.03947	7.4
129.07053	3.4
131.08553	8.9
133.04951	21.1
133.06529	5.8
133.10152	3.4
145.04936	9.7
145.10139	3.8
149.09604	10.7
150.07626	4.0
163.11154	5.4
191.10635	13.1
205.12289	6.8
209.11668	18.1
223.13301	4.7
227.12727	38.1
259.08136	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07829	1.1
54.11189	1.1
57.07066	2.4
60.29788	1.2
67.05499	3.1
69.03426	3.4
69.07105	2.6
69.21335	7.6
70.42751	1.4
79.05492	7.6
81.03416	2.3
81.07054	100.0
82.07400	1.3
85.02887	6.3
87.00835	2.8
95.08601	17.1
97.02901	5.5
105.01857	4.5
109.02928	1.2
127.03909	7.9
137.13248	20.4
145.04996	7.0
159.02844	1.4
194.84746	1.3
196.88612	2.0
197.30743	1.5
202.53511	1.5
231.04990	2.2
249.06015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
65.03929	2.0
66.80782	1.6
67.01869	1.7
68.63078	1.5
68.99782	3.8
75.04464	4.6
77.77823	1.5
79.05475	3.4
81.03394	2.5
87.98017	1.3
89.03899	5.1
91.05472	2.9
95.04978	2.0
97.02867	1.8
100.48743	1.4
107.04975	4.3
111.04433	5.0
117.03369	6.8
118.04103	1.8
118.34612	1.5
119.04894	2.2
121.02843	8.8
123.04418	17.1
135.04408	15.5
137.02344	19.6
137.03358	2.4
137.06004	1.6
139.03865	5.1
141.07005	1.9
145.02826	10.8
146.03644	2.8
147.04320	3.4
149.02335	25.5
150.03099	2.2
151.03894	2.7
152.06258	3.0
153.05469	7.5
153.07001	3.2
154.27467	1.8
157.06534	3.6
161.05952	2.1
163.03894	100.0
164.04529	5.6
165.01816	10.1
165.05467	10.2
165.06972	6.2
167.03432	9.0
167.06996	1.9
168.05592	2.1
173.02356	2.7
173.05930	3.6
175.03828	2.4
177.01804	10.3
179.03438	2.3
181.04916	3.9
181.06474	13.4
183.08025	1.7
185.05945	2.7
187.03905	3.2
189.05437	3.7
191.03378	6.2
193.04968	3.3
193.06483	2.8
195.04581	3.2
195.06497	26.1
197.05917	6.9
198.06622	1.7
199.03867	2.2
199.07594	7.6
202.06104	1.7
205.04832	1.7
206.46240	1.6
207.02835	3.8
209.04338	29.3
209.06252	9.0
211.05830	2.5
211.07564	5.6
212.04575	3.5
213.05431	12.1
214.06137	2.5
215.03259	2.6
215.07095	2.5
221.05971	10.5
225.03905	4.1
227.06993	12.5
229.04982	6.2
230.05539	2.1
231.06403	2.4
237.05441	25.5
238.06094	3.2
239.03381	2.5
239.06995	9.6
240.04172	1.9
241.04955	14.5
242.05595	3.9
243.06575	2.5
249.05443	5.6
253.04811	1.6
255.06488	36.6
257.04492	4.4
257.08026	5.2
258.05264	5.6
259.06143	2.7
265.04929	27.2
266.05640	5.2
267.03247	2.2
267.06503	6.5
268.03662	2.9
269.04501	9.2
269.07187	2.0
273.07602	14.2
275.05469	2.2
279.04922	7.4
282.05322	2.5
283.05984	37.5
284.06473	2.7
285.03879	7.2
285.07327	2.9
286.04681	12.5
287.05270	3.3
293.04434	15.0
295.05759	4.2
297.03976	3.7
297.07443	3.7
299.05594	2.0
299.08813	2.3
301.07040	24.2
302.07651	3.6
311.05469	35.7
312.05710	2.2
315.08704	2.7
321.03860	3.3
325.06931	8.1
329.06506	37.7
330.07135	2.5
339.05008	4.2
343.08075	13.3
347.07755	2.3
353.06442	13.1
361.09384	2.8
371.07578	27.2
389.08633	4.8
391.58112	1.7
403.09912	3.9
408.09158	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16613	1.4
56.96563	3.3
60.71155	1.6
69.63840	4.2
69.64185	2.3
73.09225	1.3
73.32439	1.3
91.06474	1.4
91.74687	1.3
140.91136	1.4
150.58344	1.4
166.48851	1.6
194.34114	1.7
199.02884	1.5
214.82454	1.5
214.84729	1.7
224.03537	2.8
257.04819	1.6
271.06497	1.8
274.97797	1.6
275.05923	3.0
277.07458	2.2
289.07486	6.6
307.08713	3.4
317.14252	3.6
327.12698	2.2
331.12204	6.0
335.15244	2.1
338.96692	1.6
339.12424	7.5
345.13635	3.8
346.14484	11.1
347.15097	8.3
349.13226	3.4
357.13718	4.4
363.14694	3.1
364.15579	4.9
365.16284	5.2
375.14755	94.2
376.15015	5.6
393.15814	100.0
394.16293	7.0
398.16360	14.4
416.17386	6.6
421.12628	8.5
422.36035	4.3
439.14059	14.5
440.14490	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
54.30236	0.4
55.05507	1.7
57.03440	0.6
57.07076	0.8
65.03955	0.6
67.04531	0.3
67.05500	4.1
68.99796	1.1
69.03423	6.9
69.07057	1.8
69.70026	1.2
69.70404	0.6
71.04979	0.6
71.51373	0.3
77.03928	0.5
79.05485	7.0
81.03407	3.0
81.07049	6.1
83.04973	3.0
83.08611	0.9
85.02915	1.1
85.06535	0.6
87.00830	3.0
87.98114	0.3
90.18225	0.3
91.05469	8.5
93.07037	4.7
94.07360	0.3
95.04973	2.0
95.08614	2.3
97.02883	2.9
99.04459	1.0
103.05469	0.7
105.01878	0.4
105.07022	10.2
107.04960	4.2
107.08586	22.9
108.08843	0.5
109.02882	4.5
109.06519	2.6
109.10144	7.3
111.08046	0.4
115.05430	2.1
117.07021	2.4
118.07795	0.7
119.06053	0.9
119.08579	3.9
121.06511	3.0
121.10139	13.3
122.07282	6.5
123.08044	1.2
127.03907	14.5
129.06972	0.4
131.08543	3.3
133.10117	100.0
134.10461	3.4
135.08044	8.7
135.11688	2.1
136.08485	0.4
137.09601	57.8
138.09946	1.5
143.08542	0.9
145.04926	0.9
145.10080	1.4
147.07956	0.4
147.11696	2.1
149.09624	2.6
149.13239	8.7
158.10909	2.1
163.14844	1.7
172.59175	0.4
173.09474	0.4
173.13245	5.7
191.14293	41.4
192.14691	2.1
213.03911	3.1
231.04932	1.8
273.14536	0.4
299.16248	0.4
317.17203	1.2
335.18204	1.2
403.17322	1.0
421.18182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.05489	0.2
55.16890	0.2
55.97488	0.2
65.03950	0.7
66.05956	0.2
67.05477	0.3
72.00426	0.2
75.04476	0.3
77.03937	0.3
78.04704	0.8
79.05488	1.5
80.06268	0.9
89.03842	0.2
90.04689	1.3
91.05470	4.3
92.40717	0.2
93.07043	0.6
95.04958	1.1
98.22707	0.5
103.05448	0.6
105.03392	0.5
105.04484	0.2
105.05489	0.2
105.07038	1.1
106.04172	1.0
107.04948	8.9
107.05682	0.5
108.05735	4.0
109.06505	0.9
109.16859	0.2
115.05455	0.4
117.07018	0.7
118.04141	0.5
119.04942	0.4
119.08535	0.3
120.05730	0.4
121.02876	0.3
121.06496	2.1
123.04394	1.2
123.08058	0.7
124.05192	0.2
128.06198	0.4
129.06984	0.4
131.04907	1.3
132.05676	0.3
133.06479	1.9
134.07112	0.3
135.04411	2.5
135.08047	1.2
136.05185	5.3
137.05984	2.9
138.06766	1.6
139.07547	0.6
143.04883	0.4
143.08545	0.4
144.05746	0.4
145.06448	1.3
146.07248	1.4
147.08029	1.9
148.05180	8.5
149.05934	0.5
149.09554	0.4
150.06802	1.0
151.07526	100.0
152.07854	2.7
153.09100	0.3
158.07318	0.5
159.08043	1.2
160.08812	1.1
161.05989	3.3
161.09573	0.3
162.06747	0.6
163.07523	4.5
164.08328	0.8
165.05475	1.0
165.09082	4.1
166.06235	8.6
167.07045	2.1
168.07790	0.3
171.07994	0.7
172.08821	1.2
173.06036	1.2
173.09596	0.8
174.06679	0.5
175.07510	1.5
176.08318	2.7
177.05579	0.3
177.09093	8.1
178.09740	0.4
179.07042	0.9
179.10649	1.6
180.07776	1.0
181.08575	55.2
182.08923	1.7
185.09650	0.3
186.10350	0.8
187.07539	1.4
188.08344	2.6
189.09093	3.6
190.09833	1.2
191.07028	0.6
191.10632	3.9
192.07736	0.6
193.08577	2.5
194.09435	0.4
195.10146	1.8
201.09099	1.8
202.09854	3.0
203.06998	0.7
203.10661	4.0
204.21306	0.2
205.08578	0.4
205.12120	0.4
206.09439	0.5
207.10147	2.7
209.11639	0.5
215.10538	0.3
216.11397	1.8
217.08582	0.5
217.12218	4.5
218.09311	0.5
218.12575	0.3
219.10133	0.6
221.11685	2.5
232.10840	0.3
233.11717	1.8
235.13298	0.5
247.13286	2.1
251.12764	0.9
322.15314	0.4
339.15887	0.6
340.37274	0.2
353.17358	0.9
354.18198	2.9
355.18933	0.5
364.82684	0.2
370.17703	12.6
371.17960	0.8
385.15356	0.4
385.20013	5.6
386.20514	0.4
421.21704	0.4
446.25851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.6
51.02366	1.4
51.32653	0.5
53.03946	3.8
53.50293	0.5
55.01861	0.8
55.88094	0.5
57.03434	0.9
65.98045	0.6
69.03421	8.6
70.74952	1.1
71.04989	1.3
73.02903	1.1
78.03003	1.3
78.03445	20.8
80.05013	3.0
81.03410	24.3
85.02899	10.2
94.95200	0.5
95.04967	0.7
96.02106	1.0
96.04482	7.4
97.02882	7.3
97.32843	0.5
99.04454	3.5
106.02907	71.5
107.03250	1.4
109.02179	1.1
109.02874	14.3
110.03176	0.7
110.33849	0.6
113.48228	0.6
113.52373	0.6
121.02864	0.8
123.08081	0.7
124.03943	100.0
125.04295	1.7
125.05965	0.9
127.03896	10.2
137.02325	55.2
138.02647	2.1
145.04958	1.5
150.47722	0.6
151.03870	2.2
155.03377	0.8
157.07672	1.0
166.04959	0.7
175.08701	2.0
177.01851	0.8
179.06882	0.6
196.06137	0.8
197.08060	1.0
202.05083	0.7
208.06087	0.6
209.04463	0.8
225.11372	0.6
232.06085	1.3
250.07088	33.8
251.07489	2.1
268.08148	35.2
269.08441	1.4
404.09711	21.7
405.10052	2.1
422.10791	15.2
422.16211	1.2
423.11841	1.6
444.32523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00524	3.8
50.81845	3.5
53.45066	3.4
55.05515	4.0
58.78347	3.8
65.29175	3.4
67.05504	9.3
69.03436	7.6
69.76749	7.6
79.05495	19.1
81.07043	14.1
81.26983	3.7
83.04978	5.2
85.02910	9.4
86.46554	3.7
93.07017	3.8
95.04960	10.9
97.06570	6.3
99.04469	5.4
105.07024	14.6
107.04961	24.4
109.10152	34.0
119.08597	7.1
125.05912	4.7
133.10127	11.6
137.09608	52.3
143.08565	10.4
147.08047	20.3
161.06062	4.0
161.09615	100.0
165.09093	92.6
179.10701	7.8
189.09096	14.1
207.10167	99.0
225.11224	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	422.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63789	2.9
53.03935	4.6
53.15129	3.1
55.05504	8.7
57.03422	3.7
61.02906	4.7
69.03420	30.8
69.06712	4.9
69.07059	74.1
71.04971	3.1
71.43814	4.3
71.74529	3.4
73.02901	5.2
76.54221	3.2
81.03401	18.8
85.02898	71.0
87.00832	34.6
95.08594	11.1
97.02888	27.8
99.04438	11.9
105.01856	47.6
109.02866	19.1
111.11707	71.4
117.03427	4.2
121.10146	8.7
127.03902	50.9
129.05550	3.5
132.04762	3.9
135.04373	4.2
139.11165	100.0
140.11530	3.2
142.08591	4.1
145.04924	21.7
146.88564	3.0
157.12238	98.4
159.02893	8.5
163.03877	32.3
213.03847	6.4
223.12924	3.3
231.05000	11.8
244.41101	3.3
249.05885	5.8
261.12732	7.4
288.70508	3.5
423.15866	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01865	5.7
55.05508	11.0
57.03434	5.9
61.02906	4.8
62.62334	3.1
68.99786	6.6
69.03418	33.9
69.07060	63.5
71.42035	3.5
73.02898	4.1
81.03413	19.4
81.07046	4.2
85.02896	78.1
87.00824	39.8
91.03968	3.4
91.05456	5.6
93.07058	4.4
95.08584	16.0
97.02891	36.9
99.04456	12.9
105.01857	48.9
109.02876	28.3
111.11699	57.7
115.05463	4.1
117.01791	4.2
119.08540	5.7
121.10142	7.8
127.03909	63.2
129.07014	5.8
131.08595	3.9
137.05971	18.6
139.11171	74.2
139.12088	2.8
145.04942	29.3
157.06468	5.1
157.12222	100.0
157.13454	6.0
159.02931	11.0
160.05237	4.2
167.06998	18.0
174.06770	5.4
175.07529	34.0
187.07570	9.9
202.04668	3.5
231.05040	13.2
233.08057	50.6
243.56404	3.5
261.40567	3.4
358.87296	3.8
359.34094	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	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44173	9.7
67.05508	20.0
70.77849	10.5
81.07061	32.9
84.52932	8.9
85.02902	19.2
91.35236	9.1
93.07022	9.2
95.08637	20.5
97.02956	9.4
99.04456	33.2
105.07034	19.1
107.08590	24.9
109.10154	35.1
119.08574	16.7
121.10145	55.7
123.08071	35.5
123.11739	11.2
137.09641	38.9
137.13271	12.1
145.10161	10.9
147.11700	22.7
149.09566	21.4
151.11214	15.0
161.13249	18.5
163.11172	21.5
165.12766	22.3
179.14325	12.6
189.12651	22.8
203.42189	9.4
207.13756	43.3
225.14842	100.0
334.38852	9.4
354.07544	8.3
370.21881	9.6
422.23541	11.8
445.31314	9.7
448.35953	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	423.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.6
60.70787	0.4
66.40897	0.4
70.14217	1.1
84.71698	0.4
89.93977	0.5
98.97585	7.0
101.34250	0.4
103.22102	0.4
116.98612	3.6
134.99631	1.0
147.30209	0.4
158.06647	2.1
167.07056	0.5
172.04260	0.5
176.07697	1.3
177.05475	0.4
228.05629	1.0
235.00008	0.5
237.10678	0.5
240.05644	0.8
244.05203	1.7
245.05159	1.5
246.06761	3.0
252.05669	0.8
254.07173	0.5
258.06732	3.2
258.99811	4.7
270.06677	3.9
274.97647	1.7
277.00800	4.1
280.97894	1.2
283.09833	0.9
295.09894	1.9
298.97995	0.8
300.07849	1.2
300.97021	0.5
307.09946	1.0
309.11371	0.7
311.09467	0.8
312.07669	3.8
313.11047	0.7
321.11362	1.8
325.10965	2.9
327.12433	1.5
333.11429	0.7
337.10892	4.1
339.12399	8.7
340.12698	0.9
349.10953	0.8
351.12476	31.3
352.12637	4.0
361.11600	0.5
363.12482	100.0
364.12628	15.2
381.13452	1.3
389.31363	0.5
425.54202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
61.09738	0.5
67.05500	0.8
69.36464	0.5
70.78689	0.8
73.70336	0.4
79.05479	1.6
81.07027	1.6
90.72344	0.6
91.05475	2.7
93.07034	7.6
95.04935	0.9
95.08613	2.6
105.07014	1.7
107.08581	9.5
109.02868	0.6
109.06504	0.5
109.10158	1.3
119.08577	2.0
120.08042	0.7
121.10139	2.4
123.11713	0.8
128.06158	0.7
131.08525	1.3
133.10091	1.8
135.11665	1.6
143.08545	0.8
145.10094	1.0
147.11700	0.7
156.09352	0.5
157.10118	1.0
159.08003	0.5
159.11674	0.8
161.13167	0.8
169.57666	0.5
171.11623	0.8
173.13226	1.0
175.14835	1.3
182.73972	0.4
187.14717	1.0
193.15878	0.5
203.05244	2.5
227.05280	1.0
243.04698	0.6
245.06334	6.8
271.04236	1.0
287.03778	3.1
289.05261	100.0
290.05682	2.9
379.17346	2.6
405.31030	0.8
423.16153	45.5
423.32367	1.6
424.16553	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	423.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20597	0.8
57.09964	0.8
70.11050	1.6
70.11387	1.3
71.17928	0.8
79.05486	1.0
93.07028	1.3
111.05574	1.1
123.11701	1.6
145.57100	0.9
170.77417	1.0
212.89568	0.8
227.05301	1.2
243.04721	1.2
245.20795	0.9
287.03830	3.4
337.16217	2.9
379.17218	15.4
423.16232	100.0
424.16544	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	423.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.5
64.00674	0.9
65.03925	3.5
69.03399	1.4
69.84411	3.6
73.02912	26.6
77.55760	0.9
81.03398	1.6
85.02882	2.3
86.50076	0.9
91.05455	3.8
93.03377	2.2
93.07033	1.3
95.04958	3.3
97.02876	1.4
99.46558	1.0
103.05469	1.4
106.02927	1.8
107.03221	1.6
107.04993	1.6
108.02087	2.7
110.03628	3.9
110.54852	1.0
111.04449	4.8
119.04903	2.1
121.06487	3.4
123.04423	2.3
124.03937	3.1
125.04409	1.7
125.05982	33.4
127.03930	1.2
131.04897	1.7
137.02307	0.9
137.05969	3.3
141.05438	2.8
145.00674	1.3
149.05969	13.9
151.03897	100.0
151.04994	8.1
151.07458	5.4
152.04193	4.4
153.05431	1.3
161.05959	3.8
165.05502	1.2
167.07030	10.0
177.05426	3.7
179.07030	26.6
180.07518	1.1
191.06932	5.0
192.07748	1.9
197.08067	44.4
197.09872	2.4
205.09753	1.2
209.08083	5.4
221.08054	2.2
226.10637	1.1
261.12372	15.2
283.09631	1.6
303.12354	1.6
304.11874	1.1
308.42328	1.0
315.12274	1.1
355.11481	1.2
375.14310	2.4
423.12469	40.4
424.03265	1.2
424.12698	3.5
424.26910	1.0
439.45770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1793
Annotation	Flemingin C
Peak:m/z	Relative Intensity
50.51228	1.1
53.03947	1.5
55.01857	2.6
55.05505	1.5
57.07072	1.4
58.86969	1.1
60.33156	1.0
61.01146	10.0
61.80123	0.9
67.05506	1.1
69.03433	1.2
69.07032	1.2
71.41819	1.1
72.04507	15.9
73.02912	3.2
78.03788	23.7
81.03382	1.8
81.07027	1.2
83.04976	3.1
85.02892	12.3
85.06512	1.3
86.06049	1.7
86.09703	1.8
88.02218	7.0
95.04922	1.3
97.02868	1.6
97.78008	1.1
98.02361	1.2
99.04431	7.0
99.05579	3.4
101.40003	1.1
102.03758	34.6
103.02151	4.4
103.03934	18.0
109.02858	6.4
113.05994	3.2
114.03761	4.1
114.05489	2.5
119.04920	1.3
120.04794	7.2
124.07639	2.2
126.05501	21.1
127.03911	8.3
131.06380	15.3
132.04771	20.7
141.06572	2.2
142.08612	4.8
143.99210	1.0
147.04434	2.5
147.05830	2.2
149.07430	60.5
152.07111	1.8
154.08585	2.4
156.06589	2.0
158.02718	1.9
159.05859	3.3
163.03862	1.5
172.92987	1.2
175.05341	3.0
180.06517	15.4
184.09657	2.5
186.05721	1.5
198.07594	4.8
216.08664	1.9
231.11574	4.5
257.09515	2.7
261.12692	4.0
275.10593	2.8
293.11618	100.0
294.11862	4.2
405.16885	35.4
406.17221	2.5
423.11823	1.2
423.21307	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	9.8
60.18039	0.7
69.25829	2.7
69.26231	1.4
70.06585	1.0
71.90069	0.9
76.38377	0.8
88.07659	1.2
98.23410	2.0
100.30053	1.0
105.03390	3.3
107.08467	0.8
149.02364	1.9
149.05920	4.7
150.06345	1.2
193.28798	0.8
253.05609	1.1
257.04871	1.3
257.26489	0.9
271.06448	2.3
275.05890	4.5
277.07434	2.7
289.07413	7.2
290.08026	1.9
293.07083	1.4
301.29446	1.2
303.09259	1.3
307.08524	2.8
313.11127	1.0
317.14362	1.1
327.12625	1.2
328.13318	1.3
329.14212	3.5
331.12228	5.3
332.12521	1.2
341.14056	6.6
345.13699	3.6
346.14578	6.6
347.15228	5.9
349.13290	3.1
359.15167	8.6
363.14667	3.3
364.15414	4.2
365.16287	3.3
377.16290	100.0
378.16800	5.8
382.16986	1.6
393.13016	0.9
395.17377	75.4
396.17493	6.2
400.17975	10.5
411.14572	2.0
418.19232	4.6
422.32675	1.7
423.14560	13.3
423.19611	1.3
423.27972	0.9
423.33258	1.9
424.14798	1.4
441.15613	17.1
442.16217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.6
71.41390	0.5
79.05499	0.8
81.07040	1.2
91.05489	1.5
93.07048	1.1
95.04993	0.8
95.08596	1.0
105.07030	2.3
107.08584	1.1
111.04432	0.9
119.08559	1.2
122.63706	0.6
128.06235	0.6
129.07007	1.1
131.08597	1.5
133.06441	0.6
133.10153	0.6
135.08014	1.2
143.08554	1.2
145.10149	1.2
151.07509	0.7
155.08510	0.8
156.09335	0.7
157.10123	1.0
159.11668	0.6
166.95778	0.6
183.11722	0.5
197.13268	0.8
203.05260	1.0
205.49030	0.5
243.13753	1.7
261.14670	1.1
271.11514	0.8
323.34818	0.5
332.95065	0.5
405.22858	1.4
423.23511	100.0
424.23849	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
67.05493	0.6
71.41390	0.5
79.05499	0.8
81.07040	1.2
91.05489	1.5
93.07048	1.1
95.04993	0.8
95.08596	1.0
105.07030	2.3
107.08584	1.1
111.04432	0.9
119.08559	1.2
122.63706	0.6
128.06235	0.6
129.07007	1.1
131.08597	1.5
133.06441	0.6
133.10153	0.6
135.08014	1.2
143.08554	1.2
145.10149	1.2
151.07509	0.7
155.08510	0.8
156.09335	0.7
157.10123	1.0
159.11668	0.6
166.95778	0.6
183.11722	0.5
197.13268	0.8
203.05260	1.0
205.49030	0.5
243.13753	1.7
261.14670	1.1
271.11514	0.8
323.34818	0.5
332.95065	0.5
405.22858	1.4
423.23511	100.0
424.23849	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2351
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05505	0.7
57.57885	0.6
66.43516	0.5
67.05492	1.3
67.89175	0.6
69.07061	0.6
79.05511	0.7
81.07046	1.3
91.05492	0.9
93.07059	0.9
95.08613	1.6
105.07013	1.3
107.08553	1.3
119.08579	1.1
131.08623	0.8
132.03662	0.6
133.10114	0.9
145.10136	0.9
147.11691	0.8
151.07545	0.7
152.07896	0.7
155.08479	0.6
190.67470	0.5
201.03828	0.7
203.05363	0.9
209.13197	0.5
236.28322	0.5
255.29166	0.5
261.14569	3.7
423.23550	100.0
424.23755	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.1
55.05510	6.6
57.03423	2.0
57.07068	3.0
58.27069	1.0
62.47332	1.0
67.05499	12.1
69.07063	8.8
70.55869	1.8
71.05000	1.1
71.08622	2.5
79.05487	7.0
81.07051	15.2
83.04958	1.7
83.08614	3.6
85.06555	1.8
85.70347	1.1
91.05466	7.1
93.07047	10.5
95.04950	2.1
95.08595	12.9
97.06530	2.3
97.10100	1.2
99.08087	2.5
105.07001	5.7
107.08586	9.1
109.06504	17.8
109.10149	7.9
111.08083	1.4
114.17365	1.0
119.08588	7.9
121.10137	4.7
122.07236	1.3
123.08056	48.8
123.11687	1.9
124.08395	1.4
125.09588	1.0
131.08565	2.3
133.10129	6.1
135.08015	8.6
135.08842	0.9
135.11681	3.0
135.54243	1.1
137.09610	3.4
145.10168	2.6
147.11678	3.3
149.09647	2.9
149.13286	2.5
153.09045	1.2
157.10114	1.0
159.11707	2.8
161.13277	2.7
165.12759	1.4
167.14394	1.4
177.12813	2.5
179.14288	47.1
180.14632	2.0
180.58348	1.1
181.06502	1.2
191.14381	2.0
193.15912	2.4
197.31789	1.1
197.33549	1.2
201.26808	1.0
205.15987	1.2
233.18994	1.3
263.20224	1.7
275.20108	2.3
293.21146	3.2
303.26862	3.8
331.26254	35.7
332.26599	2.6
349.27243	7.7
367.24805	1.7
391.50867	1.1
405.29968	1.9
423.31052	100.0
424.31516	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11097	1.5
55.05510	6.5
57.07071	7.1
60.28319	1.2
62.31623	1.5
67.05502	11.8
69.07053	5.4
69.10011	6.4
69.10423	2.6
71.08632	2.6
79.05501	6.7
81.07041	15.6
82.34142	1.5
83.08616	2.8
85.06530	2.9
91.05481	3.5
93.07047	9.1
95.04951	2.4
95.08587	11.3
97.06557	2.6
98.23086	7.6
99.08102	2.6
105.07040	5.6
107.08577	8.6
109.06512	22.8
109.10125	6.0
111.08089	1.6
117.07024	2.0
119.08562	6.9
121.06514	1.9
121.10149	6.0
122.07220	1.6
123.08055	33.5
131.08498	1.5
133.10097	4.7
135.08031	9.8
135.11679	2.5
137.09587	3.2
145.10078	3.6
147.11667	3.3
149.09602	3.0
149.13222	2.1
157.10104	1.7
159.11688	3.1
161.13167	2.0
163.14784	1.8
173.00528	1.5
177.12682	2.4
179.14285	100.0
180.14621	3.3
191.14342	1.7
193.15926	2.9
205.15942	6.3
219.71399	1.6
275.20126	2.6
283.16925	2.6
303.26764	2.7
331.26260	42.1
332.26712	2.0
349.27206	2.1
423.31006	98.8
424.31467	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	423.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72063	2.9
55.05502	7.1
57.07055	8.0
63.38769	2.4
65.10624	2.9
67.05499	11.4
69.07049	7.4
71.08610	8.0
71.43589	3.0
72.96034	2.7
79.05482	9.0
81.07053	25.3
83.08604	3.7
85.06553	2.7
89.06020	9.6
91.05460	5.9
93.07055	12.3
95.08591	19.0
105.07026	11.5
107.08580	10.4
109.06497	18.9
109.10158	8.9
119.08559	9.6
121.10119	6.4
123.08054	30.7
123.11724	7.8
133.08559	4.2
133.10133	4.3
135.08049	7.8
135.11662	6.3
137.09567	2.8
145.10127	3.5
147.11754	3.9
159.11681	5.7
161.13292	5.2
176.49010	2.6
179.14288	82.4
180.14635	2.8
191.18036	3.1
193.15962	4.7
203.17915	3.0
205.13863	2.4
205.15851	3.3
233.19044	2.6
239.14952	4.3
313.25229	3.9
331.26254	30.1
332.26703	3.1
349.27383	8.4
368.61600	2.9
405.29868	3.2
423.31009	100.0
423.36121	8.6
424.31323	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.8
57.07077	5.4
67.05499	10.4
69.07068	8.4
69.58141	9.4
72.37529	2.6
78.13968	2.8
79.05492	5.7
81.07063	19.0
83.04974	3.0
83.08627	7.2
89.06023	11.1
91.05490	9.0
93.07046	10.0
95.04979	4.7
95.08617	15.1
98.13095	2.5
103.58016	2.6
105.07041	9.9
107.08603	8.4
109.06522	7.9
109.10151	9.6
118.06096	2.8
119.08564	7.3
121.10149	5.0
123.08066	45.6
123.11705	3.2
127.63461	2.8
131.08543	4.7
133.08629	4.2
133.10158	5.5
134.99997	2.7
135.08072	6.2
135.11676	6.3
137.09647	3.1
143.17276	2.8
145.10176	6.4
147.11679	11.1
149.09625	2.6
149.13306	2.8
159.11693	4.0
177.12761	7.1
179.14334	13.4
179.18669	2.6
201.16296	2.8
203.18015	4.2
214.01152	2.8
239.14839	3.0
263.20401	3.4
275.20016	5.8
303.26843	6.7
322.96216	2.9
331.26328	39.5
353.64529	2.9
423.31055	100.0
423.35617	4.0
424.31442	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	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.05506	16.6
57.07068	4.9
59.48424	1.6
60.44098	1.4
67.05495	23.0
69.03416	4.5
69.07069	15.3
69.53403	4.9
77.03897	3.3
79.05491	24.4
81.03419	2.5
81.07053	42.6
81.87285	1.6
83.04978	6.8
83.08614	5.9
85.06523	1.9
86.09711	2.6
91.05470	32.6
93.07040	53.1
95.04974	9.5
95.08601	64.1
97.06550	3.1
97.10165	3.5
99.08090	26.2
105.07027	78.2
105.07738	3.8
107.08591	66.1
109.06510	7.7
109.10152	31.9
111.08068	2.4
117.07029	13.2
119.08574	100.0
120.08945	4.2
121.06483	3.9
121.10139	38.8
123.08073	6.0
123.11692	12.7
125.09634	5.9
128.06219	3.9
129.07025	7.0
131.08560	79.4
132.08945	2.5
133.10120	60.3
135.08054	4.0
135.11682	21.0
137.09607	3.1
137.13254	2.2
141.06952	2.4
142.07796	6.6
143.08571	21.5
144.09335	7.6
145.10115	61.7
146.10486	2.8
147.07983	3.2
147.11684	42.4
148.11995	2.3
149.09608	2.8
149.13264	11.5
151.11163	3.0
155.08566	8.5
156.09346	7.7
157.10121	32.9
158.10846	6.5
159.11688	42.8
159.12946	3.0
160.12100	2.3
161.09622	3.5
161.13228	20.0
163.11212	3.4
163.14815	14.2
169.10185	10.9
170.10869	8.3
171.11679	21.2
172.12329	2.4
173.09660	4.8
173.13251	50.1
174.13593	4.3
175.11172	3.5
175.14816	21.3
176.15138	1.7
177.12766	2.7
177.16331	12.3
178.16750	1.9
181.10152	3.9
182.10913	2.4
183.11688	17.9
184.12379	2.9
185.13248	49.0
186.13776	1.8
187.11250	3.0
187.14795	42.3
189.12708	2.1
189.16354	25.6
191.14227	8.5
193.10226	2.3
194.11078	2.4
195.11671	5.3
197.13297	12.7
199.14793	24.8
201.12723	5.5
201.16386	26.7
203.14281	12.8
203.17989	5.8
205.15869	6.6
207.17496	6.3
209.13258	5.8
211.14833	13.5
213.16417	12.2
214.30058	2.2
215.14319	6.6
215.18008	7.7
217.15938	7.9
221.13217	4.0
223.14822	3.5
225.16457	8.0
227.17967	3.9
229.15904	11.6
231.17386	3.5
235.14914	3.5
237.16393	5.9
239.17871	3.4
241.19537	4.1
243.17368	8.8
251.18005	2.5
253.19429	2.5
255.17461	2.2
255.21117	2.6
257.18781	2.2
265.19641	3.3
271.20566	2.0
277.19626	2.0
279.21146	2.5
283.20554	5.2
295.94785	2.1
311.23648	2.3
317.22665	2.4
333.25729	3.7
335.23706	2.6
351.26816	9.5
365.28482	4.5
387.30539	5.6
393.31436	4.4
395.33093	2.8
405.31512	34.3
423.32568	71.6
424.32901	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	424.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01852	0.5
55.05486	0.2
57.03415	0.7
60.57769	0.2
65.03937	0.3
65.69395	0.2
67.05502	1.2
69.03133	0.2
69.03420	2.5
69.44381	0.4
69.44726	1.0
70.06572	0.4
71.04951	0.5
73.02911	0.5
73.17409	0.2
79.05459	0.7
81.03403	1.5
81.07037	0.4
85.02903	4.0
87.04431	0.3
89.03938	0.3
91.05467	1.1
94.06515	0.4
95.04937	0.7
97.02868	2.0
98.06049	4.2
99.04437	0.4
103.03925	0.2
105.01851	0.2
106.06516	0.9
107.07330	0.6
109.02842	1.1
114.05695	0.2
115.05435	0.4
116.06987	0.2
117.03351	0.5
119.04906	0.7
122.06003	0.7
123.04392	1.1
127.03916	1.3
128.06178	0.4
129.06981	0.7
131.04910	0.4
134.05969	0.6
135.06728	0.4
136.03902	0.3
136.07541	1.1
143.08533	0.8
145.02811	0.8
145.04939	0.4
145.06406	0.3
145.08986	0.3
145.10086	0.4
146.01779	0.3
146.09602	0.3
147.04390	3.0
153.06995	1.6
153.08067	0.3
155.07321	0.5
155.08521	2.9
157.06485	0.4
160.05177	0.3
160.11179	0.5
161.05957	1.0
165.06972	0.6
168.05675	0.4
168.07898	0.2
170.09622	2.0
171.08015	1.0
172.07571	0.3
173.05971	0.8
176.07060	2.2
177.05461	1.2
177.07805	0.3
178.04965	0.4
180.08102	1.0
181.06490	1.5
183.06665	1.1
183.08084	0.7
184.05237	0.4
187.07545	0.4
188.06956	0.3
188.10692	1.0
191.30554	0.3
198.09120	5.6
199.07526	2.5
200.07118	0.6
201.06131	0.3
201.07623	1.5
201.09428	0.3
202.08571	0.2
208.07484	0.6
209.05901	0.4
211.06253	0.7
214.04904	1.6
214.08502	0.4
215.05632	0.4
216.10172	3.7
226.08577	3.0
227.07033	0.6
227.09082	0.3
228.06487	0.9
229.07291	1.6
230.07707	0.4
243.08870	0.9
244.09660	100.0
245.09982	5.3
262.10715	84.6
263.11063	4.3
278.12302	0.2
286.10733	1.0
304.11792	0.7
406.14777	0.4
424.15958	31.1
425.16437	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	424.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33577	0.6
57.66887	0.6
67.05470	1.5
69.03380	1.6
69.10448	3.4
81.03391	1.3
81.07009	1.1
85.02869	1.3
91.05433	0.8
94.61921	0.6
97.02827	0.7
97.06469	0.6
106.06523	1.1
108.10883	0.5
109.02835	0.6
119.04836	0.7
122.05988	0.6
123.04413	0.8
136.07515	1.5
141.09058	1.2
143.08553	1.0
147.04362	1.9
153.06926	2.2
155.07281	1.2
155.08525	2.5
161.05991	1.2
168.05724	0.6
170.09607	1.7
171.08037	0.7
173.05969	0.7
176.07074	2.1
177.05382	0.9
179.01660	0.5
180.08037	0.7
181.06424	2.0
183.06667	1.4
183.08073	1.3
187.07523	0.8
188.10739	1.2
191.03752	0.5
198.09109	6.2
199.07521	1.6
201.07666	1.3
211.06325	0.8
214.04953	1.2
216.10132	3.8
226.08632	3.5
229.07233	1.7
244.09676	100.0
245.10066	5.1
252.38989	0.6
262.10736	82.0
263.11029	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	424.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14702	26.3
69.03429	28.2
70.48164	45.4
74.40982	24.2
79.05439	27.2
81.03431	41.7
85.02894	93.6
89.05988	37.9
99.04445	44.0
103.03929	94.8
127.03934	100.0
145.04973	94.7
163.03943	33.3
163.06020	53.7
179.99442	27.0
221.02943	38.3
251.10559	27.2
350.59381	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	424.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52018	1.3
53.40248	1.3
71.41869	1.9
78.04704	1.5
79.05476	3.1
91.05472	3.5
99.08073	1.4
100.16814	1.3
101.57554	1.5
103.05454	5.4
105.07018	1.5
107.04925	10.0
108.05737	2.6
115.05478	1.9
115.66372	1.5
117.07014	1.5
121.06520	2.2
123.04447	3.4
130.67593	1.4
131.04907	9.3
131.08537	1.7
133.06538	1.4
133.10110	1.9
135.04359	2.4
135.07997	1.5
136.05110	1.8
137.05991	4.6
141.06975	3.5
146.07205	5.0
146.10608	1.5
149.05978	1.7
150.06686	2.0
151.07530	100.0
152.07880	2.4
158.97719	1.5
161.05984	2.9
163.07523	21.5
165.09109	6.2
167.07028	53.1
175.86946	1.7
177.09088	24.8
179.10699	2.0
187.07442	1.8
189.09067	3.9
191.10677	3.6
201.09123	3.2
217.12236	3.8
219.10129	1.6
233.11638	2.2
307.13339	2.5
314.36484	1.5
339.15927	9.7
346.38077	1.5
371.18515	13.6
387.84338	1.7
389.19418	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	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41305	2.2
55.05508	6.7
56.56244	2.4
58.99587	3.9
64.96826	2.2
69.03394	3.9
81.07070	3.4
81.58481	2.4
83.04971	9.3
83.08614	5.9
85.02898	5.8
91.05473	4.2
91.69340	2.6
93.07055	6.4
95.04966	32.0
95.08646	3.9
97.02917	3.3
98.06070	16.0
99.04452	8.8
100.02191	3.1
107.08573	4.8
109.10182	4.4
121.10139	5.4
131.08638	2.5
133.10103	5.2
146.02682	7.7
147.04465	8.4
151.11174	7.9
153.09096	11.7
167.14325	12.5
173.13275	3.2
191.14297	3.6
198.09265	2.9
209.15349	66.7
227.16522	3.2
244.09633	28.1
245.09987	2.9
262.10764	24.9
286.85641	2.4
317.85983	2.6
424.11337	5.0
424.16275	8.8
425.13922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.3
57.07070	70.0
69.07074	7.1
69.92515	4.6
71.08626	50.3
73.06554	2.3
78.61836	1.6
78.81030	1.4
81.20327	1.6
83.08613	3.8
84.61510	1.5
85.10174	32.0
87.04488	4.3
87.32882	1.8
89.06021	100.0
97.10179	4.4
99.11719	10.6
103.03941	2.7
103.07626	1.8
107.07053	3.7
111.11711	3.3
113.13247	3.3
132.90565	1.7
133.08591	57.7
141.27838	1.6
141.82057	1.9
151.09656	3.7
155.03391	1.7
176.06520	1.6
177.11227	12.8
181.57184	1.6
195.12239	4.6
225.91689	1.7
239.14870	39.1
257.24567	2.1
270.33963	1.8
363.30734	2.5
407.33640	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	424.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.7
57.07072	70.5
58.07381	1.7
66.22517	1.6
69.07059	5.7
69.51198	6.4
71.08630	51.8
73.06541	3.0
73.57462	1.9
75.84737	1.7
85.10177	34.5
87.04462	2.4
89.06026	100.0
90.06338	3.0
90.60523	1.7
97.10152	4.4
98.22779	3.4
99.11729	7.8
107.07047	2.4
111.11696	4.4
113.13284	4.5
127.14834	2.5
133.08600	66.3
140.16869	1.9
151.09631	7.8
169.19516	3.2
173.50653	2.0
177.11200	16.0
195.12314	3.6
238.88480	1.7
239.14862	43.0
240.15178	3.3
257.24527	1.7
258.82428	1.9
302.20334	2.0
305.85278	1.8
310.98666	2.0
357.26221	1.9
363.30762	1.9
380.49200	1.9
407.33624	31.9
425.11893	2.4
425.20987	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12530	91.1
78.29510	15.3
83.85682	15.9
98.00007	15.7
98.97550	35.9
110.07167	15.6
113.07122	40.9
128.98547	29.6
163.03920	46.9
163.23119	15.1
219.01704	40.1
221.02985	29.3
237.02797	21.1
239.02393	16.8
263.03888	25.0
304.28180	17.2
381.11682	32.9
423.72223	15.5
425.08905	84.1
425.14645	100.0
425.23657	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68666	6.0
63.81884	6.1
69.29248	28.0
110.78626	6.5
177.06578	100.0
317.97284	7.6
364.39444	7.6
399.10535	7.7
425.09094	20.3
425.18213	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	425.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16156	1.6
69.70308	6.7
85.02924	1.6
98.23475	3.5
98.97576	3.1
128.98618	1.9
177.06586	100.0
178.06918	3.0
219.01624	2.3
285.29184	1.6
339.07428	4.7
357.08557	4.7
381.08932	3.6
425.08868	23.5
425.19632	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	425.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80172	1.9
69.03425	4.1
85.02889	5.7
93.31010	1.7
97.02896	12.5
98.97612	2.0
100.72923	2.0
101.00863	9.7
109.02892	3.8
113.00883	3.8
117.03304	2.8
119.01914	25.5
121.02869	2.9
127.02409	4.2
127.03918	2.5
131.01906	12.0
133.03505	2.2
135.04420	5.1
137.02916	4.8
143.01894	7.5
143.08180	6.8
145.03575	12.4
146.03720	2.7
155.01901	12.9
156.02600	2.1
157.03467	7.6
161.02934	15.1
163.03860	47.8
164.04179	2.0
173.02890	13.1
175.04462	3.1
185.02963	9.9
187.04494	2.5
193.03311	2.1
195.05060	3.4
197.02957	11.0
203.01984	4.1
203.04030	7.1
209.02977	4.5
221.02963	58.2
221.05055	6.3
222.03183	4.1
227.03897	2.9
239.04039	11.9
245.02907	5.3
245.05052	67.0
246.05104	5.1
249.07356	2.1
257.05084	16.5
259.04715	2.5
263.03851	6.2
263.06140	22.9
264.06561	2.5
265.06082	2.3
271.04572	4.1
277.05762	2.5
281.05145	8.8
287.04019	2.4
295.06628	5.2
299.03842	2.5
305.04977	8.2
307.06625	6.4
317.04996	15.2
318.05478	2.7
323.06079	3.7
335.06110	4.2
365.07123	100.0
366.07388	8.9
383.08206	39.3
425.10867	20.9
425.17883	4.3
426.11130	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	425.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28722	5.7
69.29125	2.5
87.31214	1.4
91.20175	1.6
113.07144	2.3
132.79225	1.7
141.50285	1.6
177.05261	5.5
203.06508	1.7
227.05211	5.2
234.96971	1.5
271.04221	12.2
339.10498	5.4
381.11560	35.9
382.11765	2.2
424.26718	2.1
425.10455	100.0
426.10699	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	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91022	0.6
61.02930	0.9
70.10072	2.0
71.21794	0.7
73.02888	1.3
77.00883	1.0
82.99869	2.2
85.02892	1.1
89.00890	1.3
97.02883	2.1
101.00868	15.4
108.66320	0.7
109.02896	0.8
113.00871	3.5
115.02379	0.9
119.01916	26.0
120.01986	1.1
121.35827	0.7
127.02385	2.0
127.03889	1.2
129.03958	0.8
131.01897	8.6
137.02922	2.3
139.02402	2.2
143.00769	1.7
143.01889	33.5
144.02042	1.4
145.03456	10.1
147.01352	0.8
149.02901	1.3
155.01883	18.6
156.02031	0.7
157.03465	8.6
161.02951	50.8
162.03085	1.9
163.04495	1.3
167.01874	8.5
169.03474	3.5
171.04974	2.1
173.02939	22.9
175.04552	2.5
179.01918	3.0
179.04109	0.8
181.03435	0.9
183.04881	0.8
185.02951	33.6
186.03058	2.5
187.04507	4.1
191.03940	5.0
197.02945	14.3
198.03062	1.0
200.62749	0.7
203.02133	1.5
203.03984	18.3
204.04097	1.1
209.03030	1.5
215.04016	7.1
221.05040	6.4
227.03963	8.2
233.05121	0.9
239.06044	4.4
245.05048	100.0
246.05208	7.1
257.04959	5.6
263.06094	39.7
263.08942	1.5
264.07922	0.8
275.06061	28.0
276.06326	1.7
280.94824	0.9
281.07092	0.9
282.99921	1.2
293.07224	3.6
301.00931	1.9
305.07123	11.7
306.07455	1.0
335.08173	3.2
347.08105	1.0
365.09192	5.5
383.10327	1.4
425.11359	9.1
443.01889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
66.92143	0.6
69.22436	3.7
79.05489	1.3
81.07053	9.5
91.05476	1.3
93.07052	2.2
95.04996	0.8
95.08591	3.0
98.22726	1.5
100.11266	0.7
105.07029	1.7
107.08597	2.1
109.10159	1.2
117.07047	0.7
118.03826	0.6
119.08588	2.7
121.10133	1.7
131.08549	1.8
133.10159	1.6
135.11697	0.8
137.13280	1.2
145.10133	1.7
147.11674	2.0
149.02383	0.7
159.11670	1.2
171.11615	0.7
187.14824	1.2
193.04970	1.1
201.16319	1.3
203.05235	0.9
205.15839	0.8
227.05191	0.9
237.07625	1.3
245.06354	3.9
271.04138	1.1
287.03809	1.0
289.05292	49.1
290.05630	1.4
296.45792	0.7
339.17673	0.8
381.18735	7.6
425.17786	100.0
425.33829	1.8
426.18213	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	425.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49534	0.8
55.48688	0.8
58.18259	0.8
67.05492	1.3
69.07072	1.9
79.78114	0.8
81.07047	3.9
90.12940	0.8
95.08588	1.2
98.23507	2.2
102.40850	0.8
161.02953	1.1
165.09166	1.2
185.04269	0.9
193.90379	0.8
203.05307	2.7
211.33331	1.0
216.93651	0.8
227.05215	1.5
232.48463	0.9
243.04738	13.5
245.06314	8.7
271.04181	1.8
287.03699	100.0
288.04065	2.9
289.05258	87.1
290.05609	3.1
317.36639	1.0
327.42273	1.0
339.17810	1.0
381.18735	5.9
425.17767	74.8
426.18314	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	425.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93769	1.4
71.42498	1.7
81.07053	3.9
203.05247	2.1
245.04054	2.1
245.06332	7.2
271.04465	2.4
289.05286	100.0
290.05536	2.0
353.37839	1.7
381.18652	2.8
406.02084	1.6
425.17709	62.0
425.24731	10.3
426.18021	2.3
438.58624	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.7
59.04998	2.1
69.07046	2.1
76.86663	1.1
79.05476	1.4
81.07058	3.1
91.05466	2.3
93.07040	3.8
95.08596	4.4
105.07027	3.8
107.08582	2.5
109.10148	2.1
119.08591	5.1
121.10161	3.0
131.08498	2.0
145.10121	4.1
147.11633	2.5
159.11781	1.8
161.13261	1.9
170.48718	1.3
173.13362	1.5
175.14842	1.8
185.13170	1.6
187.14751	1.9
189.16322	1.3
201.16328	1.4
205.15807	1.3
293.38559	1.5
335.75748	1.3
339.17810	1.5
381.18854	26.0
423.75641	1.4
425.17767	100.0
425.33865	3.8
426.17773	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	425.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48426	0.9
81.07046	1.0
93.94230	0.5
98.44241	0.6
163.03885	1.5
166.10030	0.5
167.45065	0.6
175.61760	0.6
190.08737	0.5
203.28291	0.6
218.08157	1.4
218.11845	0.6
249.49377	0.5
271.04230	1.2
333.44040	0.6
339.17770	2.7
357.17310	0.7
381.18829	19.3
382.19162	1.4
382.69247	0.6
425.17792	100.0
426.18161	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	425.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	37.4
57.07068	7.7
62.39264	2.3
67.05492	9.3
69.07059	19.4
71.08618	6.0
79.05484	2.6
81.07050	34.3
83.04974	100.0
83.08616	7.2
84.05273	2.0
89.06042	6.4
93.07052	3.7
95.08601	37.6
95.09148	4.0
97.10146	6.6
98.23505	5.9
101.05993	15.7
109.10142	18.9
111.11704	5.9
113.09628	2.0
121.10088	2.8
121.20583	2.2
123.11694	11.3
125.13265	3.4
133.08662	2.8
135.11714	2.9
137.13226	11.5
151.14789	9.8
183.10129	9.3
197.38640	2.2
207.21111	8.2
217.16010	2.1
225.22226	11.8
225.24123	1.9
291.05807	2.6
392.67297	2.3
425.11856	4.7
425.21289	9.0
425.34012	6.6
426.46805	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	426.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	20.8
57.07053	14.3
67.05489	18.1
67.92399	5.3
69.07042	16.3
71.19373	6.3
79.05479	10.5
81.07043	21.0
83.04962	28.2
84.05314	6.6
84.43893	4.8
91.05463	20.1
93.07053	12.6
95.08598	36.8
105.07035	54.0
107.08578	19.4
109.10139	20.5
119.08564	30.9
121.10154	8.6
123.11671	6.3
125.50288	5.5
133.10129	27.0
147.11676	92.1
161.13307	13.9
163.14806	9.0
173.95122	6.5
203.17932	100.0
230.24776	14.9
308.65903	5.9
340.38855	5.8
426.46661	32.4
450.25479	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	427.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16360	21.6
64.79328	21.8
69.27874	100.0
78.95122	25.5
121.28849	20.4
203.12819	24.7
215.12994	21.0
218.99638	29.9
237.00778	72.6
241.00702	26.0
242.08051	24.1
255.02031	27.3
453.35852	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1212
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
63.95139	1.1
69.29446	2.5
69.29834	2.8
85.12004	1.1
86.43825	1.0
88.08517	1.2
149.19141	1.1
150.07761	2.1
191.60168	1.0
200.71518	1.1
203.12794	1.4
235.92636	1.0
254.89926	1.1
261.48343	0.9
325.51913	1.1
353.68597	1.1
427.12061	100.0
428.12335	5.2
444.92438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1366
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
56.96559	4.8
65.28565	1.6
69.16200	5.8
69.16606	5.2
98.97601	5.9
110.97650	1.7
112.42727	1.7
113.84229	1.6
147.51889	1.7
192.38409	1.6
193.05402	5.7
205.05411	3.9
211.06422	5.2
221.04977	1.7
223.06407	14.6
237.02599	1.8
241.07449	3.1
247.06380	3.5
265.07520	6.3
283.08551	6.4
367.10495	14.8
395.40067	1.7
427.13507	100.0
428.13940	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	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10598	0.4
69.27599	1.9
81.32635	0.3
94.04058	1.8
95.06079	0.5
95.49298	0.4
98.22679	0.8
110.03274	0.4
112.46575	0.4
121.06454	0.7
122.59467	0.3
123.06676	1.0
148.06081	0.5
150.07736	100.0
151.08075	1.5
160.63008	0.4
163.03894	1.5
192.10255	1.5
220.09702	1.2
223.06430	0.6
265.07526	0.6
266.10056	0.5
283.08682	0.6
295.11456	18.7
296.11594	0.5
367.10727	0.8
394.44498	0.4
408.12994	0.4
427.13495	5.1
427.19220	24.6
428.13516	1.9
428.19635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	2.1
57.45961	0.8
70.37469	0.9
75.45717	1.0
109.52512	0.9
140.40823	1.1
163.56216	0.9
173.23323	1.0
205.18063	1.2
220.32199	1.1
225.96259	1.2
270.35596	1.0
376.51294	1.1
424.81674	1.2
427.17258	100.0
428.17670	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	427.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43818	1.6
62.64359	1.6
69.52298	7.2
69.52672	3.6
70.06590	12.7
72.08115	3.2
86.09680	3.6
105.06900	2.0
116.64213	1.6
163.11127	3.6
166.07310	1.9
179.67432	1.9
183.14961	2.7
197.12741	2.0
211.14334	1.8
247.16847	4.8
259.07635	2.5
328.22043	2.4
358.64386	2.0
369.15048	6.0
427.17203	100.0
428.17734	5.8
438.32825	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19791	0.8
69.54716	2.2
77.33080	0.8
90.02957	0.8
94.97749	0.8
98.23380	1.8
98.97585	1.3
104.91858	0.8
123.06680	1.0
150.07739	53.7
151.08060	1.1
162.91307	1.0
174.52441	0.9
203.05264	1.0
216.85037	0.9
249.08022	1.5
295.11462	9.0
299.10406	1.7
427.19476	100.0
428.13925	1.4
428.19913	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	427.1937
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
51.35917	0.4
71.00658	0.5
94.03354	0.4
95.87085	0.3
98.97569	0.5
102.06680	0.6
102.23065	0.4
121.10133	0.6
142.29134	0.4
150.07742	2.0
177.05396	0.7
199.22871	0.4
203.05246	2.1
204.84375	0.5
247.13062	0.7
265.14023	0.9
326.13345	1.7
409.18283	10.1
427.19354	100.0
428.19751	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	427.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37963	0.5
67.36715	0.4
69.69746	0.5
69.70096	1.3
92.47104	0.4
113.02156	0.5
132.52464	0.5
149.09805	0.4
185.04286	0.8
203.05225	3.8
203.06622	0.4
217.11926	0.5
231.13490	0.9
247.13005	1.2
325.12598	0.7
326.13336	9.1
331.08295	0.4
409.18292	46.9
410.18744	2.1
427.19394	100.0
428.19641	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	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35424	1.3
55.05503	10.8
57.07083	7.9
59.13982	1.3
61.38773	1.2
67.05493	5.2
69.07065	28.6
71.08627	2.8
79.05515	3.4
81.07040	8.6
83.08625	10.9
91.05463	3.1
93.07037	3.2
95.08583	8.3
97.10141	5.1
107.08601	4.2
109.10148	6.4
110.96178	1.5
111.11695	2.0
119.08530	2.8
121.10135	3.1
131.08545	1.7
135.08035	4.1
137.09625	9.4
137.13297	1.5
145.10104	2.4
149.09613	8.2
159.11742	2.0
159.16037	1.3
162.06828	1.6
162.55077	1.6
163.11172	5.5
165.09102	100.0
166.09416	1.6
171.11557	1.4
171.62466	1.3
173.09741	1.9
174.10490	1.5
175.11147	3.4
177.09125	7.3
179.10623	2.3
189.09111	2.2
191.10599	6.9
201.12794	1.7
203.10638	8.1
205.12212	9.9
217.12172	1.5
219.13788	2.3
220.17993	1.2
220.28152	1.4
349.65152	1.8
392.39169	1.4
427.35651	9.2
428.35684	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57205	2.6
53.02423	2.4
53.03946	3.0
54.98205	2.1
55.05492	13.9
56.55799	2.2
56.64909	2.6
57.07062	4.9
57.89500	2.2
60.09529	2.7
67.05498	29.8
69.07061	19.3
70.36656	5.7
72.04496	6.0
78.57191	2.3
79.05500	19.0
80.72434	2.7
81.07047	49.6
83.08601	10.6
91.05445	20.1
92.05762	3.6
93.07029	44.4
95.04961	3.9
95.08593	100.0
96.08934	3.2
97.10120	6.8
105.07009	53.8
106.83749	2.6
107.08572	77.3
107.09255	5.0
109.06522	3.7
109.10138	63.4
111.08059	3.5
117.07009	5.6
119.08562	58.6
121.10121	56.6
123.08083	5.4
123.11684	18.7
131.08539	9.8
133.10112	38.2
135.08073	4.0
135.11665	33.7
137.09566	4.6
137.13246	6.3
143.08543	4.1
145.10088	18.4
147.11673	34.0
149.09583	6.4
149.13225	28.8
157.10086	5.1
159.11671	21.0
160.12396	2.8
161.13246	36.4
163.11176	4.4
163.14801	30.6
169.10172	3.1
171.11629	4.8
173.13196	11.5
175.14810	47.0
177.12749	5.1
177.16322	22.6
185.13283	3.9
187.14836	17.5
189.16367	28.0
191.14183	4.1
191.17886	14.9
199.14774	4.3
201.16374	13.4
203.17917	64.7
204.18275	3.6
205.15874	36.0
205.19472	2.9
207.17424	3.2
213.16350	4.5
215.17923	7.0
217.15958	2.9
217.19554	9.3
219.17329	4.2
223.16911	17.6
229.19518	3.1
231.17345	4.2
231.21045	6.0
245.18922	3.1
249.18417	3.6
283.16931	3.6
285.25412	2.7
295.24149	11.7
313.25208	14.2
331.26260	9.7
391.33588	9.4
404.82541	2.5
409.34604	19.5
427.35593	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	428.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27324	1.0
50.81771	1.0
52.96743	1.1
69.31775	6.5
71.05019	1.4
79.13436	1.3
89.03906	9.8
91.05793	3.5
95.04980	1.7
117.03355	10.2
118.06512	1.4
123.04488	1.9
132.04440	8.4
135.04404	20.8
142.06581	1.4
145.02838	16.7
146.05972	2.1
150.05455	6.9
150.07770	5.0
151.08046	3.4
156.08203	1.3
162.05522	2.7
162.56583	1.3
163.03883	100.0
164.04268	2.0
164.07104	1.4
170.05981	2.5
174.09094	1.7
175.81966	1.4
177.07790	3.5
181.05020	1.8
184.07626	2.5
188.07072	5.8
190.08629	4.7
191.09387	2.2
192.10172	99.1
193.10516	3.4
202.08612	20.5
203.12794	2.2
204.10170	2.0
220.09659	86.4
221.09988	3.6
248.09186	5.2
266.10217	45.9
266.13074	2.8
267.10526	1.7
359.03000	1.8
428.13376	79.8
429.13086	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	428.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.9
55.01865	8.1
57.03436	16.8
57.07076	13.4
61.02924	7.9
62.06080	5.6
67.05495	4.3
68.99779	4.1
69.03421	43.2
69.35708	8.4
69.36118	6.1
70.06587	3.8
71.05002	7.9
73.02908	5.1
79.41138	2.5
81.03410	38.9
85.02898	100.0
85.06531	15.1
87.00824	47.8
91.05784	5.2
95.04983	8.4
97.02893	35.1
98.22746	4.7
99.04449	20.4
101.06013	4.4
103.07578	99.1
104.07111	14.0
105.01862	58.0
105.02535	4.0
109.02879	36.0
113.06061	4.6
117.01852	3.1
117.03388	7.2
123.99044	2.8
127.03909	87.9
127.07559	15.4
129.01810	4.1
131.07016	7.6
135.04407	12.5
137.71512	2.5
145.02843	8.3
145.04956	25.5
145.08606	10.8
159.02859	15.8
160.66989	2.6
161.06027	2.4
163.03888	68.0
163.09645	44.6
163.10883	4.5
167.05623	3.4
173.08037	12.7
174.08951	3.3
180.08836	3.3
189.03972	3.9
192.10143	4.7
211.02715	3.3
220.09744	4.6
223.54196	2.8
231.02768	4.2
231.04964	25.6
253.10741	8.2
266.10156	3.7
307.07761	2.7
331.13696	3.7
357.11847	6.1
359.02844	3.5
375.12860	5.3
428.13626	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	428.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
57.03437	2.5
57.07072	100.0
58.07424	1.5
65.71642	1.1
69.03427	19.3
69.31120	6.0
71.04987	2.0
76.81127	1.3
81.03412	34.3
85.02898	26.7
85.06535	16.2
91.05473	3.4
93.84263	1.1
95.08704	1.3
97.02882	26.5
99.04449	4.3
103.07568	15.5
105.07065	1.0
109.02871	22.1
110.03248	1.2
115.98660	1.0
119.04917	5.2
127.03910	29.0
145.04947	12.6
145.10121	3.8
147.04404	30.8
147.05582	1.8
150.79391	1.0
156.92229	1.1
165.05457	2.5
167.05472	1.3
173.51070	1.1
213.03786	1.0
229.10698	54.2
230.10988	2.8
238.10233	1.1
247.11757	55.8
248.12160	2.4
277.70288	1.1
385.18201	2.4
429.17426	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	429.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	10.1
69.14165	3.7
72.84228	0.4
73.04742	0.8
76.48598	0.5
77.03947	0.5
79.05478	1.5
80.39144	0.6
80.75242	0.5
86.93410	0.5
89.03920	0.8
91.05434	5.3
93.03393	10.6
93.39379	0.5
95.04958	1.4
103.05454	4.6
107.04951	6.4
111.04430	35.4
112.04731	1.2
115.05421	3.8
119.04934	1.9
123.04412	1.0
129.03391	0.7
131.04890	2.6
135.04401	14.7
137.05945	0.8
139.03883	45.2
140.04210	0.9
143.04903	4.4
147.04404	8.0
151.03896	5.0
153.05461	6.3
157.02789	1.3
157.03943	0.6
159.04387	7.9
160.04712	0.6
163.03896	4.8
167.05519	0.8
175.03886	18.4
176.04272	0.8
179.03349	1.3
181.04942	11.1
187.03882	9.3
203.03337	3.9
205.04924	7.4
225.03951	1.8
231.02858	100.0
232.03169	4.3
302.35684	0.6
359.02750	1.1
429.09290	1.9
445.61914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61822	1.0
65.03935	8.6
65.12033	1.1
69.74966	4.8
77.03930	1.3
85.02859	1.3
86.09670	1.4
89.06007	1.6
91.05486	5.3
93.03394	9.4
95.04948	2.5
98.22749	2.3
103.05446	2.7
107.04931	7.3
111.04429	32.1
115.05444	4.7
119.04922	1.6
125.27689	1.2
131.04903	3.7
135.04408	15.2
137.02257	1.4
139.03889	44.9
140.04211	1.6
143.04904	2.6
147.04373	8.6
151.03908	4.8
153.05467	4.8
155.87241	1.1
159.04385	9.5
163.03889	3.9
175.03873	19.2
181.04959	11.0
187.03879	8.8
203.03384	3.4
205.04941	7.1
231.02861	100.0
232.03056	2.5
305.77112	1.2
337.08463	1.8
359.02859	1.5
387.08804	1.4
411.08722	3.4
429.09787	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	429.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52317	0.4
55.05511	0.5
61.48583	0.4
65.03942	0.4
69.03428	0.6
69.31898	0.7
69.32288	1.4
73.04745	0.9
76.82938	0.4
81.03412	0.6
85.02917	1.7
88.28693	0.4
91.05458	2.8
97.02876	0.7
98.22691	0.9
103.18243	0.4
105.01800	0.5
121.12286	0.5
127.03897	1.0
139.03918	0.6
185.04193	4.9
231.02892	1.6
266.05591	2.5
267.06293	5.0
267.26160	0.4
276.07623	0.5
296.54047	0.5
385.18228	0.6
394.76382	0.5
429.11548	100.0
430.11945	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	429.1753
Annotation	Hyuganoside V
Peak:m/z	Relative Intensity
53.03944	9.6
55.05502	11.4
57.03422	8.2
64.32415	2.4
67.05493	4.8
69.03432	19.9
69.07076	22.9
71.04968	4.7
79.05480	22.0
81.03419	10.7
81.07043	13.3
83.04954	3.2
85.02898	30.2
87.00800	14.5
91.05470	25.8
93.07040	84.7
95.04952	8.6
95.08596	6.8
97.02859	10.0
97.06500	3.2
98.22704	6.1
99.04449	4.6
102.45280	2.7
105.01846	8.1
105.07018	28.0
107.08585	47.8
109.02875	13.8
109.06512	12.5
109.10134	7.4
117.07025	5.9
119.08562	6.1
121.06504	62.0
121.10138	73.2
123.08123	3.2
127.03896	21.1
131.74127	3.1
135.11702	29.1
139.11156	4.1
145.04907	7.9
145.10104	47.6
158.25165	3.1
159.02884	7.8
163.11166	74.8
163.12453	6.2
164.11519	5.1
180.92957	2.9
181.12199	100.0
206.39804	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	429.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.0
55.01863	3.4
55.05512	0.5
57.03428	2.1
61.02904	1.7
65.03928	0.8
68.99790	2.4
69.03118	0.5
69.03428	6.5
71.04981	1.2
71.08630	12.5
73.02917	2.8
73.03269	0.5
77.13057	0.4
79.05478	0.5
81.02966	0.5
81.03414	8.2
81.07033	0.5
82.36189	0.4
85.02898	25.4
87.00824	9.5
91.03906	0.5
91.05804	0.9
93.07027	0.7
95.08573	0.5
96.03703	0.5
97.02880	8.7
99.04446	3.2
99.42324	0.4
103.03928	2.4
105.01865	6.1
105.07014	0.9
106.40768	0.4
107.04937	2.8
109.02872	6.8
111.04433	28.7
111.59669	0.4
117.01840	1.3
121.06507	0.8
123.04400	1.5
127.03907	13.7
129.01820	2.6
131.04901	0.5
135.04407	8.7
135.07976	0.6
135.62775	0.5
145.04956	7.1
145.06421	0.9
145.10184	0.6
147.02895	2.4
147.11688	0.8
149.05984	1.7
153.05428	1.3
159.02887	5.1
167.05539	0.5
170.97800	0.5
171.02853	0.9
173.06065	0.7
177.05441	0.7
177.12773	0.6
181.12218	100.0
182.12584	3.0
187.07474	0.6
189.03947	2.5
191.14401	0.6
191.16138	0.5
193.12206	1.6
201.05403	0.6
205.12228	15.6
206.12619	0.7
212.60753	0.5
217.12270	2.2
219.13800	1.4
223.13281	17.0
231.05000	1.5
231.13579	0.7
233.11433	0.5
243.13773	2.0
247.13260	6.9
271.13251	4.7
289.14301	6.5
359.02924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01864	1.6
55.05507	0.6
56.03762	0.6
57.03418	1.8
59.03730	1.4
60.09761	0.4
61.02917	1.0
63.99570	0.4
65.03933	2.2
68.99777	0.7
69.03423	10.9
69.07036	0.5
69.17658	2.7
71.01317	0.5
71.04987	1.4
73.02908	1.6
73.04030	0.6
79.05482	1.0
81.03413	9.1
81.07049	1.8
83.04967	0.5
85.02897	15.1
87.00823	4.8
88.74745	0.4
90.05521	0.5
91.03967	0.5
91.05425	2.0
93.07032	3.0
95.04956	5.9
97.02875	6.0
98.23439	0.9
99.04433	2.7
101.05874	38.3
103.03929	0.7
105.01849	2.8
105.07022	2.7
106.67020	0.5
107.04971	0.5
107.08580	3.0
109.02864	7.4
111.04411	2.2
112.05080	0.5
112.67616	0.4
117.01889	0.6
117.07011	1.0
119.08585	1.7
121.02856	100.0
121.10123	3.6
122.03172	2.2
125.06055	0.5
127.03908	13.9
129.01820	1.0
130.07751	1.2
131.08594	0.7
133.10156	0.7
135.11676	2.0
139.03870	3.8
143.08559	0.9
145.04947	4.9
145.10092	4.0
147.02910	0.7
147.05115	10.4
147.08092	0.7
157.10120	0.8
159.02878	3.4
159.11661	0.5
161.09589	0.6
163.11166	31.7
164.11551	0.6
167.05583	0.5
167.06973	0.8
169.10138	0.6
175.11205	0.8
181.12207	2.1
189.04070	0.8
193.12282	0.7
205.12221	1.7
213.03972	0.6
223.13206	2.3
231.04964	2.1
265.07034	5.3
283.08130	5.6
309.10330	2.1
325.17978	0.7
429.20486	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77109	0.4
70.00282	0.6
70.00590	0.8
71.05013	0.4
74.02438	1.4
80.26621	0.5
85.02882	1.0
86.09694	0.7
93.05769	1.4
95.04950	0.5
99.04505	0.6
109.06505	0.5
111.04425	1.0
121.02852	0.7
121.06495	1.3
121.10131	0.6
127.03911	0.8
130.05013	0.6
135.04370	0.5
136.07567	100.0
137.07918	2.9
139.03912	1.7
147.07513	0.5
157.10101	0.5
163.03967	0.7
164.07057	2.0
172.07529	0.5
175.03877	0.8
181.04872	0.6
182.04846	0.4
189.10263	0.6
190.08601	1.0
192.06511	0.6
199.08704	0.7
217.09724	1.1
231.02835	4.1
245.09065	0.7
263.10287	5.3
264.08420	0.8
264.10913	0.5
281.11282	3.6
297.07623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01873	2.2
56.96548	5.7
64.02085	1.6
69.03399	6.2
69.38177	7.8
70.06562	2.2
71.04976	3.1
73.02908	2.0
81.03386	6.4
84.55817	1.6
85.02891	18.3
86.09695	2.2
87.00854	3.6
97.02874	6.9
99.04424	1.9
104.71507	1.6
105.01834	6.3
105.06973	4.3
105.95412	1.7
109.02850	4.8
115.19930	1.7
119.04909	3.5
121.02832	4.6
121.10098	1.9
127.03907	11.1
133.06450	4.3
136.06114	1.7
137.05946	4.4
139.03807	2.3
140.85246	1.5
141.59743	1.5
145.04924	4.2
147.04387	18.2
159.02850	3.4
163.11140	4.6
165.05377	3.8
165.09074	2.5
180.07703	1.8
231.04999	2.5
237.02673	2.8
267.12186	1.9
306.52161	1.8
338.34009	1.7
359.81915	1.9
429.18619	100.0
430.19156	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	429.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.0
59.37516	0.8
60.37204	0.8
73.04749	4.2
91.05783	14.2
91.06306	1.1
98.97599	3.0
115.53230	0.8
116.98620	2.2
128.98651	1.0
134.99677	1.2
143.00041	0.9
149.04471	1.2
161.01125	0.9
167.05557	5.2
203.05286	1.2
219.01839	1.9
225.04372	1.0
237.02887	3.5
243.01773	1.1
261.02841	1.6
328.13104	0.8
359.02725	8.9
369.04752	1.4
371.16846	1.1
387.05994	2.0
411.20010	1.9
429.21027	100.0
430.21451	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	429.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79385	0.4
69.62643	0.7
69.63007	1.4
70.06583	1.6
72.47871	0.4
73.04753	1.6
91.05796	3.3
105.03396	1.7
112.74473	0.4
139.79797	0.4
145.02962	0.4
158.83368	0.4
167.05565	1.6
177.05489	0.5
181.04941	1.5
203.05281	3.2
315.77475	0.5
359.02841	2.1
371.12756	0.5
371.16864	1.7
429.20987	100.0
430.21390	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	430.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51432	5.2
59.05000	79.6
61.02924	7.2
65.03916	6.7
69.03416	39.9
70.48381	10.6
72.38044	5.7
73.04774	6.4
81.03420	32.9
85.02900	68.0
86.03193	5.4
86.09671	7.0
87.04464	98.0
89.03932	6.7
91.05464	7.3
97.02888	100.0
99.04451	10.1
105.05501	92.4
107.04988	7.6
109.02863	37.8
110.77680	6.4
111.04444	18.5
112.04826	10.1
115.05431	5.1
117.00102	5.5
117.14793	5.1
119.04938	16.4
121.02853	9.9
126.01111	11.8
127.03912	69.8
127.04774	8.8
135.04424	26.3
136.21463	5.4
139.03903	24.9
140.04210	10.3
145.02843	7.9
145.04913	59.6
147.04376	58.2
151.03888	12.7
163.03889	80.8
171.04443	7.7
175.03937	8.5
181.04959	11.2
183.13835	6.1
186.98715	7.5
189.05426	6.1
206.12308	7.1
213.07646	7.4
231.02885	33.0
231.08554	32.9
232.03207	30.5
233.03552	6.0
249.09717	33.3
325.09271	8.3
411.15634	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.171
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92235	0.3
69.03424	1.1
70.06578	0.8
70.91583	0.4
79.05476	1.9
81.03426	0.4
85.02907	2.5
86.09707	1.2
91.05833	0.4
95.04949	0.7
97.02872	1.2
99.04430	0.8
103.03943	0.7
106.06544	100.0
106.28152	0.4
107.06870	2.3
109.02879	0.6
118.06523	1.2
119.04955	0.8
121.02837	0.5
124.07562	1.7
127.03887	1.7
129.10228	0.4
130.06497	0.7
134.06013	0.6
144.08022	0.4
145.04985	0.8
145.10072	0.4
147.04395	5.8
147.05457	0.6
147.10178	0.3
163.03903	1.0
212.12270	0.4
300.45093	0.4
301.11853	1.6
313.95874	0.4
333.22183	0.4
338.47531	0.4
360.02826	0.4
360.38898	0.3
385.14163	0.8
413.13647	0.4
430.16016	3.7
430.21329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.8
55.01864	9.6
57.03437	8.1
60.04519	2.0
61.02923	6.7
68.99772	4.1
69.03424	32.6
69.37861	3.8
71.04980	3.9
73.02907	7.8
81.03411	33.3
82.03762	1.0
83.01339	2.0
85.02899	100.0
86.03235	1.2
87.00824	33.0
87.04459	1.2
91.03957	2.9
97.02252	1.7
97.02885	35.1
98.06066	1.3
99.04449	18.3
99.05066	1.2
105.01142	2.0
105.01856	34.4
106.06519	1.1
108.04468	9.5
109.02869	38.0
115.03947	2.2
117.01855	5.6
126.05495	5.2
127.03903	83.4
129.01862	5.4
137.05998	3.0
145.04947	48.6
147.02899	5.2
159.02872	32.1
159.04179	1.7
161.05911	1.3
165.09138	2.1
177.03934	2.6
189.03917	2.0
189.09091	5.5
194.27267	0.7
207.10139	1.4
212.05553	1.1
213.03947	2.5
230.06552	2.8
231.04962	17.2
231.10158	3.0
248.07635	5.6
249.05884	1.2
255.10152	1.2
266.08737	1.2
273.11060	1.6
335.90991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31495	6.0
55.05508	16.7
67.05517	18.8
68.99785	14.2
69.03423	25.2
69.07065	16.9
69.45817	21.9
70.06563	5.4
70.57126	6.2
70.84789	7.2
79.05494	26.9
81.03417	18.6
81.07051	48.7
83.08614	10.7
83.18108	6.9
85.02911	22.9
87.00851	8.4
91.05478	100.0
93.07043	43.3
95.04973	20.2
95.08604	56.6
97.02893	8.6
97.10203	6.7
100.54923	6.1
105.07024	92.8
107.08567	34.1
109.02840	6.7
109.06554	9.0
109.10169	18.2
111.04465	9.7
116.63965	6.0
117.07034	26.6
119.04946	29.9
119.08553	70.7
121.06545	13.8
121.10155	23.9
125.06012	7.4
128.06262	14.1
129.01907	8.6
129.07028	19.1
131.08565	58.8
133.06494	7.5
133.10143	40.2
135.11710	13.1
137.05965	55.3
141.06966	7.9
142.07744	11.9
143.08586	37.2
145.06505	12.9
145.10117	66.5
147.08086	8.4
147.11674	37.9
154.07761	9.4
155.08533	34.4
156.09377	7.2
157.10153	27.1
159.08041	15.7
159.11650	50.4
161.13251	79.2
167.08594	8.7
168.09244	8.0
169.10104	37.8
171.08121	8.8
171.11697	26.3
173.09633	13.4
173.13359	11.0
177.09061	13.4
179.08525	8.8
181.10179	20.8
183.11696	19.4
185.09613	13.3
185.13300	7.8
187.11121	10.5
187.14807	99.6
189.16449	8.3
191.10680	7.4
192.09375	8.7
193.10143	15.6
195.11716	21.2
196.08748	6.2
197.13301	36.1
199.11205	6.5
199.14796	16.5
201.16370	14.0
207.11703	11.9
208.12479	8.9
211.14908	12.8
213.16565	11.4
215.14267	56.6
223.14827	15.7
225.16425	30.8
229.15714	7.4
233.13210	7.3
233.15341	99.7
235.14909	9.6
237.16310	10.1
241.15971	16.5
249.12759	7.6
253.15869	6.2
263.18134	7.1
281.18863	9.3
285.18198	9.2
291.17416	9.7
309.18417	35.4
327.19501	34.0
345.20715	12.2
413.19638	19.4
423.20227	6.3
431.20721	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60133	0.9
56.28886	1.1
65.03928	1.0
69.03418	1.2
69.19208	7.1
70.06591	2.1
72.08161	6.7
81.03411	2.2
84.04562	1.6
84.08140	1.8
85.02901	2.4
86.09707	15.9
91.05450	8.5
95.04961	1.3
97.02894	1.9
106.06535	11.8
107.06877	7.5
109.02897	1.7
116.07072	2.1
119.04935	18.1
121.02866	5.0
127.03859	1.2
130.06491	2.6
132.04480	2.3
135.04344	1.2
140.99791	1.1
147.04398	100.0
148.04752	3.6
149.06659	1.5
157.07664	2.0
157.13338	1.0
163.03886	9.0
165.05460	3.4
169.06262	1.1
171.11215	1.0
175.08655	2.5
203.92940	1.1
251.53946	1.0
287.10999	2.1
288.17041	2.1
291.08548	3.1
299.13861	2.4
309.09824	2.9
420.10165	1.3
431.14322	1.6
431.18610	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	431.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
55.01869	4.6
55.05489	3.3
65.34484	2.5
66.90446	2.4
67.05502	8.1
69.03419	10.0
69.07058	7.6
70.73481	4.8
71.04987	5.5
79.05484	30.0
81.03417	5.7
81.07043	14.4
83.04990	19.9
85.02888	15.1
86.09648	2.7
91.05477	20.8
93.07046	21.8
95.04955	12.6
95.08615	6.7
97.02873	5.8
97.06523	17.9
99.04478	5.3
103.05467	7.6
105.07019	38.0
106.06541	8.3
106.30282	2.4
107.04948	19.8
107.08585	19.2
109.06519	12.8
110.23663	2.4
111.08092	2.6
117.07014	7.3
119.04918	6.6
119.08562	8.3
121.02793	2.6
121.06490	22.5
121.10151	6.5
123.08039	3.2
125.05993	28.4
127.03919	5.5
128.06206	5.2
129.06931	5.9
130.07736	3.3
131.04897	3.7
131.08568	6.6
133.06488	3.5
135.04366	2.9
135.11624	3.2
137.05960	7.7
143.06996	18.5
143.08536	3.4
144.61815	2.7
145.06491	8.0
145.10120	43.1
146.10542	3.3
147.08069	6.8
147.11699	7.5
149.05969	3.6
151.07518	6.9
157.10075	5.5
158.07324	3.9
159.08011	5.1
159.11687	13.9
161.13237	3.0
163.07578	3.6
163.11163	100.0
165.12801	3.1
169.08566	3.6
169.09962	3.2
171.07881	3.5
173.09605	28.8
177.12738	3.8
187.11154	24.6
191.10675	26.6
197.09610	5.0
205.12234	12.0
209.11699	3.4
215.10753	22.4
233.11696	35.9
245.11765	3.4
251.12869	3.7
263.12759	3.3
281.13904	4.0
359.14441	3.0
368.65649	3.1
431.16714	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	431.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
55.01869	4.6
55.05489	3.3
65.34484	2.5
66.90446	2.4
67.05502	8.1
69.03419	10.0
69.07058	7.6
70.73481	4.8
71.04987	5.5
79.05484	30.0
81.03417	5.7
81.07043	14.4
83.04990	19.9
85.02888	15.1
86.09648	2.7
91.05477	20.8
93.07046	21.8
95.04955	12.6
95.08615	6.7
97.02873	5.8
97.06523	17.9
99.04478	5.3
103.05467	7.6
105.07019	38.0
106.06541	8.3
106.30282	2.4
107.04948	19.8
107.08585	19.2
109.06519	12.8
110.23663	2.4
111.08092	2.6
117.07014	7.3
119.04918	6.6
119.08562	8.3
121.02793	2.6
121.06490	22.5
121.10151	6.5
123.08039	3.2
125.05993	28.4
127.03919	5.5
128.06206	5.2
129.06931	5.9
130.07736	3.3
131.04897	3.7
131.08568	6.6
133.06488	3.5
135.04366	2.9
135.11624	3.2
137.05960	7.7
143.06996	18.5
143.08536	3.4
144.61815	2.7
145.06491	8.0
145.10120	43.1
146.10542	3.3
147.08069	6.8
147.11699	7.5
149.05969	3.6
151.07518	6.9
157.10075	5.5
158.07324	3.9
159.08011	5.1
159.11687	13.9
161.13237	3.0
163.07578	3.6
163.11163	100.0
165.12801	3.1
169.08566	3.6
169.09962	3.2
171.07881	3.5
173.09605	28.8
177.12738	3.8
187.11154	24.6
191.10675	26.6
197.09610	5.0
205.12234	12.0
209.11699	3.4
215.10753	22.4
233.11696	35.9
245.11765	3.4
251.12869	3.7
263.12759	3.3
281.13904	4.0
359.14441	3.0
368.65649	3.1
431.16714	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	431.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70057	0.8
56.05033	0.9
58.54643	0.9
67.05491	1.8
69.07067	5.8
71.04988	3.5
80.05005	1.9
81.07053	4.3
84.04488	4.3
85.02901	4.9
86.06053	4.9
93.05798	1.6
94.06568	17.5
95.08611	10.8
97.99164	0.9
102.05549	2.6
104.62450	0.9
109.10164	1.2
112.07644	1.1
119.08562	1.1
120.08150	1.5
130.05002	23.4
132.08078	2.0
134.09651	1.2
136.11215	8.0
146.09633	1.2
147.08005	2.2
148.07590	1.3
152.10732	1.4
160.07559	1.4
162.09212	1.1
164.10706	24.7
177.10240	3.6
178.08665	2.1
182.11742	5.1
188.07161	1.3
192.06505	9.7
194.08138	1.1
202.12254	4.1
205.09746	7.0
206.08119	13.2
206.09946	1.4
209.09189	1.1
218.11795	1.8
219.14900	1.0
220.09781	1.2
220.13380	1.8
223.10727	12.4
230.11882	2.4
234.07706	1.3
247.14461	2.5
248.12788	7.0
249.13184	1.1
258.11127	1.0
264.12247	4.9
265.15399	2.1
276.12262	14.3
276.14941	1.3
281.14969	1.7
281.42682	1.1
290.13907	1.8
293.14926	52.5
294.15726	1.3
302.24896	4.5
307.16367	1.6
345.21448	1.1
385.28723	1.3
414.26495	3.2
431.29025	100.0
432.29224	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	432.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03936	0.9
55.01879	0.4
57.03438	0.3
57.19129	0.3
62.06086	0.3
65.03935	0.9
69.03419	2.7
69.47263	1.0
71.04978	0.4
78.03449	5.8
80.05016	1.0
80.11873	0.3
81.02962	0.4
81.03413	5.8
85.02899	2.5
89.38557	0.3
91.05474	10.5
93.06989	0.4
95.04971	1.2
96.04489	3.4
97.02875	2.0
97.87424	0.3
99.04439	1.0
103.05453	0.5
106.02906	19.5
106.06506	0.3
107.04957	0.3
109.02860	3.7
119.04935	22.6
120.05260	0.8
121.06501	9.8
122.06824	0.3
123.04423	5.4
124.03942	39.8
125.04306	0.9
127.03919	2.2
127.36851	0.3
135.04372	0.3
147.04393	100.0
148.04727	3.2
163.03893	1.4
165.05418	1.7
166.05031	1.6
176.20894	0.3
181.04913	0.3
196.05864	0.3
250.07074	7.2
252.10147	0.4
252.97878	0.4
268.08136	19.4
269.08319	0.8
347.16644	0.3
363.83829	0.3
368.35834	0.3
389.17673	0.3
396.10779	0.6
414.11765	3.1
432.12845	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	432.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04745	0.3
57.19658	0.3
59.03902	0.4
61.02913	0.3
65.03935	0.7
69.03418	1.0
69.16985	0.4
70.93254	0.4
72.08125	0.5
73.05030	0.4
81.03410	0.8
85.02898	4.4
86.09693	0.5
91.03908	0.4
91.05462	5.4
97.02875	1.3
101.05980	0.4
106.06532	0.7
108.08099	0.5
109.02877	0.4
119.04932	16.3
120.05326	0.5
127.03932	0.8
145.04944	0.8
147.04393	100.0
148.04752	2.7
149.09547	1.7
152.07082	0.9
170.08145	0.8
192.67099	0.4
201.19839	0.4
241.39406	0.4
280.32309	0.4
287.53983	0.4
347.16611	0.4
389.17636	0.8
392.56857	0.4
432.18524	1.4
433.16949	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07837	7.1
59.18949	7.2
69.03431	17.6
72.72858	7.0
81.03398	11.9
82.93183	7.7
85.02905	80.6
91.05464	35.6
97.02876	21.0
98.22578	14.7
99.04465	34.0
103.03938	57.4
109.02856	12.6
115.83045	7.2
125.12156	6.9
127.03907	100.0
133.28984	6.4
145.04938	60.9
157.94527	6.5
163.06013	42.7
184.54530	7.4
192.06511	7.1
205.07056	10.7
247.05008	6.7
287.05508	42.5
307.10391	11.9
432.17645	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	432.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11411	10.7
69.03419	26.8
69.70800	31.7
81.03431	14.1
85.02888	69.3
91.05498	26.6
97.02905	24.4
99.04463	35.4
103.03932	67.6
127.03912	100.0
134.03131	12.1
145.04948	60.5
163.05983	61.5
254.43413	13.1
282.32727	11.1
296.15775	11.7
370.86859	11.0
386.10770	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	432.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97472	1.7
56.96558	10.7
66.70111	2.2
71.42775	1.7
74.04655	1.8
78.18435	1.9
84.41827	1.7
98.97581	89.3
104.89680	2.0
111.97753	1.9
116.98621	47.8
116.99407	3.7
130.93306	7.2
134.99684	12.1
154.93262	5.5
161.65880	1.8
172.94379	16.8
190.95438	13.3
204.97021	6.6
208.96478	3.4
214.95374	10.0
216.98721	6.9
222.98065	4.1
232.96432	21.8
234.99849	2.5
250.97519	7.5
256.96411	20.8
258.99734	5.5
261.03333	2.4
262.03317	6.0
263.02951	7.9
274.97498	100.0
275.97864	3.6
277.00922	3.6
279.28705	2.1
284.87744	2.2
288.95566	3.8
292.98535	55.0
293.98956	2.5
312.95364	4.2
316.98749	3.4
318.98508	2.2
330.96399	13.4
372.97507	11.9
390.98587	5.8
414.95410	15.6
432.96512	17.0
450.97726	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	433.1127
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
65.03947	0.1
65.89835	0.1
67.01849	0.2
67.48515	0.1
68.99783	0.7
69.03418	0.1
71.04978	0.3
71.43188	0.1
79.05461	0.2
81.03397	0.2
85.02895	0.5
91.05504	0.1
103.05411	0.2
105.03381	0.5
107.04967	0.4
109.02856	0.3
111.00795	1.0
111.04414	0.2
121.02853	3.5
127.03907	0.2
129.07039	0.2
133.02834	0.6
137.02324	1.0
141.07008	0.1
145.06470	0.2
147.04370	0.7
151.03996	0.1
153.01807	5.2
154.02174	0.2
157.06444	0.8
161.05923	0.1
163.03850	0.1
165.01830	2.3
165.92249	0.1
171.04408	0.2
175.03903	0.1
177.05492	0.1
183.02876	1.2
185.05930	0.7
189.05397	0.2
197.05965	0.3
203.03331	0.1
213.05431	1.8
229.04910	0.1
231.04411	0.1
231.06465	0.9
241.04889	1.2
242.05304	0.1
243.06505	0.2
245.04393	0.1
258.05215	1.5
259.06018	0.6
263.05411	0.1
269.04361	0.3
287.05460	100.0
288.05795	5.2
359.09293	0.1
387.08569	0.1
433.10532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03445	3.7
68.99793	0.8
69.03424	1.4
69.11576	0.8
69.11905	4.4
71.04987	23.2
71.10794	0.7
81.03405	0.8
83.04964	1.2
83.08611	0.7
85.02898	23.3
85.21040	0.7
87.04450	0.8
90.59549	0.5
95.05014	0.6
95.08551	0.7
97.02834	0.7
104.97652	0.5
105.06998	0.9
107.04934	1.1
111.00817	0.7
111.04417	0.8
121.02838	2.8
127.03894	1.5
129.05443	5.6
133.06549	0.7
137.02319	1.5
137.06863	0.7
147.04369	0.8
153.01837	4.6
154.00699	0.5
165.01826	1.9
181.04941	1.4
185.05917	1.1
213.05453	1.2
231.06409	0.9
241.04988	1.2
245.04488	0.6
259.06314	0.6
259.72745	0.6
262.72125	0.6
287.05463	100.0
288.05801	5.0
299.05560	1.5
310.21478	0.6
329.06473	2.4
379.08115	0.8
395.32672	0.6
397.09387	1.4
433.14941	1.4
448.31778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.00648	0.1
51.52516	0.1
53.35447	0.1
55.85607	0.1
57.02891	0.1
65.03935	0.2
68.99776	0.6
69.79263	0.4
71.04990	0.4
77.32420	0.1
79.05474	0.2
85.02883	0.3
93.03358	0.1
95.04957	0.1
105.03381	0.3
107.04960	0.4
108.98682	0.1
109.02840	0.3
111.00815	0.7
111.04493	0.1
114.25703	0.1
121.02854	2.7
129.06961	0.2
131.04897	0.1
133.02835	0.5
134.61702	0.1
135.04414	0.2
137.02318	1.2
137.05966	0.1
141.06949	0.1
145.06462	0.3
147.04405	0.5
151.03851	0.1
153.01808	4.4
153.05334	0.1
153.06569	0.1
157.06441	0.3
161.06004	0.2
163.03854	0.2
165.01823	1.9
171.02258	0.2
171.04402	0.3
183.02858	1.0
185.05956	0.4
189.05502	0.2
197.06036	0.1
203.07037	0.1
213.05472	1.4
231.06433	0.8
241.04860	0.8
251.07147	0.1
251.32758	0.1
258.05194	1.1
259.06042	0.6
287.05457	100.0
288.05814	5.4
433.14157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89792	0.8
69.21513	0.7
70.06508	0.6
71.59052	0.8
86.09678	0.9
126.01052	0.8
133.70360	0.7
154.57466	0.9
163.03966	0.9
181.04980	2.7
185.07820	4.8
207.04301	1.5
209.05844	1.0
213.07306	2.0
254.04462	1.2
280.35831	0.7
329.12064	2.3
347.13098	14.7
389.14148	70.3
390.14410	4.0
401.17578	0.8
403.14178	0.9
423.11194	0.8
433.13138	100.0
434.13608	5.7
434.25397	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	433.1467
Annotation	Captopril disulfide
Peak:m/z	Relative Intensity
52.64498	1.1
53.87009	1.1
61.22256	1.0
63.79841	1.1
66.39632	1.3
67.54115	1.1
69.22890	4.3
69.23315	2.9
70.06567	1.5
85.02837	1.1
98.22697	2.5
98.97546	1.4
105.34174	1.0
116.98582	1.6
129.10249	1.3
169.61452	1.1
175.03610	5.2
292.98337	1.4
370.50067	1.3
433.14618	100.0
434.15131	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	433.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11238	0.7
50.89583	0.7
51.53189	0.8
71.98600	0.8
74.17142	0.8
80.61591	0.7
90.70925	0.8
104.95000	0.7
115.48765	0.7
119.96557	0.8
128.83615	0.8
147.04414	1.9
148.04739	1.5
175.03659	6.3
181.04909	1.4
202.88361	0.7
271.07834	2.5
371.16653	0.8
387.81113	0.8
433.14584	100.0
434.14899	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	433.1491
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03935	0.9
55.01871	1.0
61.11907	0.6
65.03934	8.7
67.05492	3.3
68.53941	0.6
68.99780	0.8
69.03443	1.0
69.29192	3.9
73.02878	1.0
77.03917	1.0
79.05488	8.7
81.07043	0.7
82.04182	3.1
85.02902	5.6
86.09673	0.8
89.03926	1.1
90.15605	0.8
91.05487	1.4
93.03379	2.6
95.04965	7.9
97.02905	1.6
97.06506	2.4
98.23518	1.4
105.04473	1.2
105.07030	7.4
107.04945	16.8
108.02097	1.7
109.45779	0.8
110.03644	4.5
110.63003	0.8
111.04440	2.4
115.03959	0.9
115.05455	1.6
116.34502	0.8
117.03336	1.6
117.88347	0.7
119.04943	0.9
121.02818	1.6
123.04432	4.8
123.40035	0.7
124.05190	2.9
125.05969	3.3
127.03963	0.9
131.04884	1.0
133.06482	7.9
134.71092	0.7
135.04437	2.6
137.05898	1.6
138.03085	2.2
138.90834	0.8
140.04642	1.4
142.02632	1.4
143.06029	1.0
145.02884	1.1
145.06526	1.1
147.04388	2.2
149.02382	1.2
152.04684	1.7
153.05472	6.2
155.06979	1.5
161.05957	11.0
163.03897	13.6
167.07025	21.6
168.07335	0.9
171.06523	8.6
173.05925	1.1
175.03862	1.9
177.01811	1.9
177.05403	0.8
178.06252	1.1
178.07779	0.6
179.06958	1.4
181.04938	100.0
182.05264	2.3
183.06476	2.2
189.05428	1.6
191.06961	0.8
192.59122	0.7
193.08572	12.8
193.10176	1.2
194.08882	1.0
206.05756	1.9
207.06436	3.3
209.04324	3.4
219.06491	1.4
221.08051	33.2
222.08432	1.4
249.07570	18.2
257.04529	0.6
287.05499	3.1
290.45047	0.8
297.11185	0.7
325.10471	1.0
372.11948	1.1
373.12454	0.9
403.13821	63.2
404.13953	3.3
433.15515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1492
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.23944	0.8
60.47795	0.7
65.06007	0.8
65.77305	0.8
71.23405	0.9
87.28008	0.9
165.05476	7.7
178.06261	1.4
183.02853	2.1
205.08675	1.5
211.02403	1.7
220.17477	1.0
227.54597	1.1
243.06682	1.1
261.07788	1.2
273.07510	1.0
286.08154	1.2
289.07004	3.2
299.05530	3.5
311.05545	2.3
314.07849	1.9
316.06125	1.1
317.06537	4.9
327.05002	2.9
329.06641	1.7
329.10303	1.1
331.07828	1.7
339.04968	3.0
342.07428	2.1
345.06039	7.7
354.07373	1.6
355.04248	1.5
357.05890	2.8
357.09750	2.9
359.07681	2.4
360.08356	4.2
369.05917	1.7
370.06699	1.3
371.07495	1.5
373.05399	4.4
375.10800	2.8
385.09113	7.2
387.07083	4.9
388.07806	5.5
403.10193	74.3
404.10638	4.1
417.11703	2.8
418.12476	11.7
433.14920	100.0
434.15439	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	433.1833
Annotation	Tyr Asn His
Peak:m/z	Relative Intensity
69.03436	0.3
82.03898	0.3
84.28574	0.3
95.01077	0.3
95.08613	0.3
113.02145	0.5
121.83986	0.3
132.30759	0.3
149.09546	0.3
151.07495	0.6
167.07050	0.6
175.07591	0.6
175.40373	0.3
181.04903	0.3
185.04260	1.0
185.39188	0.2
201.03760	0.5
203.05244	0.5
217.75644	0.3
255.09927	0.3
255.13605	0.4
271.09494	0.3
271.13086	1.3
359.14850	1.0
403.13525	0.5
418.16013	0.9
433.18314	100.0
434.18646	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	433.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	29.6
59.05004	55.8
60.77494	6.3
62.55940	6.4
67.05478	19.4
69.39471	31.2
73.87703	6.8
79.05481	17.7
81.07053	15.2
85.06530	100.0
91.05460	56.5
93.07049	39.5
95.04974	9.3
95.08588	21.8
98.22762	9.4
105.07018	31.9
107.08584	19.6
109.10143	18.1
111.08073	11.8
114.85220	7.1
115.05417	7.6
117.07018	19.2
119.08567	65.3
121.10125	21.9
123.08113	6.8
125.09619	20.1
128.06218	11.0
129.07028	8.8
130.07805	8.6
131.08566	28.2
133.10081	19.3
135.11693	7.3
137.09622	18.6
142.07698	11.4
143.08527	24.8
145.10139	22.6
147.07985	7.8
147.11632	8.6
149.09575	9.9
151.11180	26.3
156.09380	7.9
157.10123	21.8
159.11723	9.4
165.05449	6.9
169.10202	12.0
171.11690	17.7
181.10144	10.2
183.11644	12.6
185.13310	9.6
196.87962	6.8
197.56700	6.7
207.11647	6.9
209.13274	9.0
235.14838	6.5
236.43105	7.1
356.16959	6.0
403.10016	29.2
433.15036	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	434.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60741	1.3
55.05502	7.1
57.03432	5.8
57.07061	2.0
57.37482	1.5
57.71175	1.5
58.99582	14.6
60.12197	1.3
61.01146	4.7
62.99070	2.1
67.05503	13.5
69.03412	1.7
69.07059	2.9
71.08626	9.0
71.43900	1.3
76.02222	64.1
76.03990	1.7
79.05499	3.7
81.07034	3.2
83.06086	3.0
83.08619	1.9
84.04486	14.6
84.04937	1.5
85.01124	1.7
85.02905	3.3
89.00603	9.6
91.05502	1.9
97.10170	4.0
99.08077	12.1
102.05566	1.6
105.01907	2.0
105.07040	2.2
107.08617	1.4
107.21696	1.2
109.10133	12.5
116.01656	13.5
117.07013	1.5
125.60162	1.1
126.12776	3.7
127.03913	2.3
127.11176	25.1
129.06604	6.6
130.04999	6.4
141.07301	1.2
142.03220	4.1
144.01146	5.5
145.06088	1.7
151.11162	2.6
159.08374	100.0
160.08638	2.7
162.02179	23.9
167.07033	3.1
167.08998	1.6
171.85527	1.4
173.46625	1.3
179.04828	36.7
181.04945	4.6
184.11504	5.2
187.05336	2.3
199.02924	1.2
202.12572	19.8
229.89923	1.3
233.05864	7.3
233.07993	2.8
287.14200	71.7
288.12329	2.9
305.15231	9.9
308.09091	2.2
359.16281	17.3
434.19550	2.1
435.20035	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94478	2.5
57.03433	28.6
59.04992	7.6
61.02908	6.7
65.03910	3.2
69.03067	3.7
69.03425	68.8
70.06571	3.3
73.02911	20.3
73.79476	2.3
79.05471	3.6
79.65216	2.2
79.77484	2.8
81.03405	6.6
81.07037	2.7
83.07758	2.7
85.02901	100.0
87.04463	43.3
88.04817	3.8
89.03916	2.5
91.03958	4.2
91.05464	4.0
93.07031	3.0
97.02887	71.3
98.15434	3.0
98.23489	5.6
99.04472	4.2
103.05424	3.0
105.04503	2.5
105.07034	11.5
107.04948	9.3
107.08650	2.5
109.02847	5.1
115.03926	84.3
117.06985	2.6
121.02829	9.6
123.04404	2.9
127.03919	18.8
133.04958	84.1
133.06445	3.6
133.10121	6.3
135.04413	3.0
136.04803	3.0
145.04936	35.7
145.06551	3.8
147.04391	3.2
150.07617	11.4
161.05917	3.3
163.03882	6.9
163.05943	15.4
164.04202	5.2
167.07047	18.7
172.05141	5.1
181.04951	41.8
187.07629	2.3
201.05606	4.3
210.04720	2.7
218.05595	2.9
219.10014	2.5
233.08037	23.3
237.11105	3.0
259.08240	3.5
285.13455	3.4
295.10086	3.0
296.10388	2.7
307.09900	3.0
325.37628	2.9
372.15036	2.8
417.15378	10.0
434.14236	25.5
434.27826	7.9
435.12646	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57848	2.1
53.03934	2.8
53.51528	2.4
55.01876	4.0
57.03431	10.8
59.00080	2.0
60.36585	2.1
69.03418	10.2
69.30248	12.5
70.06595	6.4
71.04984	2.4
73.02891	2.2
75.04474	6.6
81.03408	12.6
84.39103	2.0
85.02485	1.8
85.02907	16.1
85.05803	2.2
87.00846	2.7
91.05478	7.5
95.04939	2.3
97.02879	7.1
99.04462	4.6
103.03957	2.3
103.05464	34.2
105.01849	3.2
105.07027	2.6
105.31828	2.8
109.02869	8.1
110.03675	7.1
119.04942	8.4
120.08115	3.2
121.02860	27.7
121.06506	4.7
123.04421	15.5
124.05215	3.4
127.03899	17.5
131.04919	100.0
137.05972	19.8
138.06766	15.2
139.03900	6.2
145.04932	2.6
148.05199	13.4
151.07507	5.3
161.06003	4.1
163.03909	4.7
163.07535	71.5
166.06223	21.2
175.07492	4.3
179.06917	2.5
181.08592	32.1
193.08682	2.5
206.44305	2.1
207.04443	4.0
237.11244	12.6
254.73459	2.8
255.12238	49.3
265.07147	3.1
283.08054	3.8
349.78717	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01873	2.2
57.07076	1.5
57.27386	0.9
61.02914	1.9
67.05505	1.3
69.03432	6.5
69.48769	4.1
71.04980	1.3
73.02918	2.6
74.15072	0.8
79.05501	2.3
81.03397	5.4
85.02900	21.5
87.00821	7.5
91.05476	10.1
91.05993	1.1
93.07033	4.5
95.04983	2.7
97.02895	8.2
98.22749	1.4
99.04450	2.5
103.05489	1.3
105.01843	7.7
105.07024	49.0
106.07369	1.1
107.05008	1.0
107.08603	3.6
109.02863	5.3
109.06520	2.7
115.03931	0.8
117.07014	1.5
118.07844	1.5
127.03916	11.3
129.01842	1.0
131.08568	3.0
133.10124	100.0
134.10487	3.1
135.11687	1.6
145.04924	6.4
151.11212	3.3
159.02908	3.7
220.81097	0.9
231.04982	3.5
272.11197	1.6
346.69409	0.9
390.14417	1.2
427.29276	0.9
434.13757	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18821	0.8
53.03940	2.4
53.96010	0.8
55.01862	2.2
56.91818	0.8
57.03430	1.5
61.02899	0.9
62.42129	0.8
64.64520	0.8
69.03424	8.5
69.53860	3.9
72.23984	0.8
73.02896	1.1
75.64015	0.8
77.03905	0.8
79.05484	2.5
81.03411	6.6
81.07047	5.0
84.59806	0.7
85.02898	23.5
85.03412	1.3
87.00821	9.9
91.05469	9.5
93.07034	21.5
95.04964	2.5
97.02883	8.7
98.22717	1.6
99.04461	3.6
103.05424	0.9
105.01859	12.2
105.07020	54.6
106.07347	1.4
107.08603	3.6
109.02876	7.1
109.06498	1.1
115.05406	1.1
116.65348	0.9
117.07013	1.7
118.07800	1.2
121.02879	1.0
123.11696	2.3
127.03904	19.5
129.01886	0.8
131.08543	1.3
133.10114	100.0
134.10428	3.0
145.04984	8.5
147.02852	1.2
147.11736	0.8
151.03986	0.9
151.11165	2.9
158.03313	0.8
159.02873	5.5
159.04253	0.9
170.87212	0.9
175.11099	1.0
189.03929	1.3
209.04482	1.7
210.08759	0.9
221.04500	0.9
231.04964	5.1
249.06082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.05503	17.0
56.68177	2.0
67.05512	2.6
69.03410	6.3
69.30470	11.6
73.02922	2.2
78.23091	1.8
78.82268	2.2
81.03398	5.4
81.07040	4.4
82.06580	5.8
83.04980	3.5
83.08610	12.8
85.02898	17.8
87.00825	6.4
91.05460	8.9
93.07062	11.1
97.02885	8.7
98.09721	2.5
98.23389	3.9
99.04404	2.3
100.07585	4.7
100.11253	42.8
105.01850	10.8
105.07021	46.0
107.08523	2.4
109.02850	5.2
110.06014	5.2
111.04441	8.7
119.08566	2.3
121.02817	2.1
127.03928	12.3
128.07048	5.1
128.77068	1.9
129.01822	2.8
131.08588	3.2
133.10118	100.0
134.10472	3.1
139.08658	5.6
140.05077	2.0
145.04941	6.4
147.04442	2.1
147.11617	2.7
151.11165	3.5
159.02921	4.0
159.04404	4.0
177.05545	3.0
182.15372	23.1
209.04442	7.9
209.16461	18.8
210.14894	30.3
221.04456	4.2
226.19092	15.5
231.04922	6.1
237.14763	2.4
249.92932	2.0
288.05725	4.8
335.24573	2.2
336.22717	15.1
417.31924	2.3
435.12378	7.2
435.27762	3.4
435.33295	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	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.3
55.33092	4.5
67.05509	23.8
69.03429	15.4
69.07069	6.4
71.04994	6.8
73.98560	4.4
79.05495	20.7
81.07061	53.7
83.04997	6.3
83.08649	6.6
84.08965	4.8
85.02900	27.8
91.03907	5.4
91.05484	20.6
93.07024	30.0
94.07390	6.2
95.04992	7.0
95.08599	45.0
96.08923	5.9
97.02896	9.9
97.06511	6.3
97.10176	7.7
105.07030	46.5
106.07385	9.8
107.08597	37.3
107.62227	5.0
108.08939	10.2
109.06519	7.3
109.10156	49.5
110.10454	5.3
117.07022	8.9
119.08569	53.7
121.10136	33.2
122.10463	5.9
123.08059	7.1
123.11711	15.1
127.03951	9.6
131.08572	21.3
132.08888	9.6
133.10126	45.6
134.10452	15.1
135.08049	8.8
135.11673	17.4
137.09633	28.7
142.07750	6.3
143.08542	15.1
144.09033	5.8
145.04913	6.3
145.10120	24.2
146.10452	11.6
147.11659	10.4
157.10114	17.1
158.10504	16.1
159.11679	31.3
160.12004	13.2
161.13284	37.3
163.03775	5.4
163.14915	6.3
169.10164	9.5
171.11658	8.6
172.12036	6.5
173.13213	11.3
174.13579	6.4
175.14880	16.6
176.15103	5.5
185.13252	9.2
186.13718	6.6
187.14793	15.4
188.15140	15.2
189.16374	6.3
191.17953	20.2
197.13185	8.8
198.13646	11.1
199.14851	16.3
200.15118	10.7
201.16402	64.4
202.16710	15.0
203.17944	22.6
204.18407	6.2
214.16693	8.6
219.17430	91.2
226.16591	6.7
240.18539	5.5
281.22394	5.2
282.23157	6.1
346.77985	5.5
381.22556	5.8
388.30850	14.6
406.31555	9.0
416.30615	9.3
433.31256	6.6
434.31281	100.0
435.31018	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	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.3
55.33092	4.5
67.05509	23.8
69.03429	15.4
69.07069	6.4
71.04994	6.8
73.98560	4.4
79.05495	20.7
81.07061	53.7
83.04997	6.3
83.08649	6.6
84.08965	4.8
85.02900	27.8
91.03907	5.4
91.05484	20.6
93.07024	30.0
94.07390	6.2
95.04992	7.0
95.08599	45.0
96.08923	5.9
97.02896	9.9
97.06511	6.3
97.10176	7.7
105.07030	46.5
106.07385	9.8
107.08597	37.3
107.62227	5.0
108.08939	10.2
109.06519	7.3
109.10156	49.5
110.10454	5.3
117.07022	8.9
119.08569	53.7
121.10136	33.2
122.10463	5.9
123.08059	7.1
123.11711	15.1
127.03951	9.6
131.08572	21.3
132.08888	9.6
133.10126	45.6
134.10452	15.1
135.08049	8.8
135.11673	17.4
137.09633	28.7
142.07750	6.3
143.08542	15.1
144.09033	5.8
145.04913	6.3
145.10120	24.2
146.10452	11.6
147.11659	10.4
157.10114	17.1
158.10504	16.1
159.11679	31.3
160.12004	13.2
161.13284	37.3
163.03775	5.4
163.14915	6.3
169.10164	9.5
171.11658	8.6
172.12036	6.5
173.13213	11.3
174.13579	6.4
175.14880	16.6
176.15103	5.5
185.13252	9.2
186.13718	6.6
187.14793	15.4
188.15140	15.2
189.16374	6.3
191.17953	20.2
197.13185	8.8
198.13646	11.1
199.14851	16.3
200.15118	10.7
201.16402	64.4
202.16710	15.0
203.17944	22.6
204.18407	6.2
214.16693	8.6
219.17430	91.2
226.16591	6.7
240.18539	5.5
281.22394	5.2
282.23157	6.1
346.77985	5.5
381.22556	5.8
388.30850	14.6
406.31555	9.0
416.30615	9.3
433.31256	6.6
434.31281	100.0
435.31018	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	434.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51804	13.6
67.05492	44.9
69.07053	21.9
69.15368	100.0
70.50651	16.4
79.05503	19.2
79.39813	15.9
81.07057	86.6
84.86230	16.0
85.06493	20.2
91.05471	42.4
93.07021	70.0
93.41885	16.9
95.08587	58.9
99.47189	16.5
105.07002	58.0
107.08570	41.9
109.10147	29.9
119.08560	60.1
121.10155	37.8
123.11689	24.0
135.11693	18.0
145.10071	15.5
147.11676	23.0
153.05478	22.0
159.11690	24.0
161.13242	28.8
173.13152	17.3
209.99094	18.2
226.27385	15.1
375.12436	14.9
404.10226	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	435.092
Annotation	Avicularin
Peak:m/z	Relative Intensity
55.01851	0.7
57.03440	3.3
59.01586	0.5
59.04996	0.7
59.53079	0.5
60.11176	0.5
64.35825	0.5
65.03928	2.4
67.05508	1.3
68.99802	1.3
69.03423	10.1
71.41273	0.6
79.05486	2.7
81.03412	1.6
81.07053	0.9
82.04192	0.7
85.02904	7.9
85.06480	0.7
86.06054	0.5
87.04457	5.3
91.05467	1.5
93.03391	0.7
95.04949	1.9
97.02892	5.0
97.06540	0.9
105.07003	3.7
106.06553	1.0
106.07349	1.7
107.04936	5.0
109.02835	0.6
111.00779	1.1
111.04269	0.5
111.08095	0.6
115.03922	4.8
115.05452	0.9
117.06994	2.5
119.08532	0.8
121.02872	0.9
121.06496	0.8
121.10255	0.5
123.04412	1.6
124.05254	0.8
125.06004	0.8
127.03909	1.9
129.06964	1.0
131.04927	1.0
131.08542	1.4
133.04953	4.8
133.06474	1.1
133.10129	0.6
137.02342	5.2
137.03377	0.8
137.05963	1.6
140.66364	0.6
141.01799	0.6
141.06906	0.6
144.05704	1.2
145.06445	2.9
147.08044	0.7
151.07599	0.8
153.01843	5.2
153.05409	1.5
157.06427	1.0
159.08012	0.7
161.05966	5.3
161.09578	0.9
163.03831	1.3
165.01811	3.4
166.02551	0.7
167.07021	13.5
171.04305	0.6
171.06516	1.7
172.05203	2.8
173.05981	2.1
175.03833	0.6
175.07599	1.2
181.04948	25.6
182.05365	0.8
183.02899	1.1
187.07558	2.6
189.05495	0.9
189.09116	2.3
191.07025	0.9
191.10623	0.6
200.04657	1.2
201.05440	4.4
205.08557	1.1
206.05748	0.7
207.10078	3.4
218.05740	1.7
219.06491	0.8
219.10153	1.3
221.08015	1.0
229.04994	4.9
233.08055	16.4
237.14877	0.9
242.21352	0.6
255.15942	0.7
257.04443	3.2
263.09207	2.7
285.03885	1.0
299.05524	0.8
303.04962	100.0
304.05295	6.0
315.04971	6.9
316.05606	0.9
327.04965	1.0
345.06039	6.3
351.08774	0.9
353.06537	1.4
355.11514	0.7
381.13507	0.6
387.14407	2.1
399.07141	2.0
399.14252	0.9
417.09799	0.8
417.15399	6.5
418.15579	0.8
435.08371	0.9
435.13361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07526	0.5
55.03633	0.5
70.05223	0.5
70.58805	0.7
80.01138	0.5
83.61282	0.6
87.50548	0.5
88.08856	0.5
137.46230	0.5
144.74223	0.5
167.03146	0.9
181.04951	0.8
185.04222	1.3
186.06544	1.7
187.07361	1.2
197.00169	0.7
227.05171	3.0
231.28079	0.5
239.35805	0.6
271.04279	4.1
292.19577	0.7
341.20093	0.6
349.12549	7.0
373.12436	2.5
391.13599	53.2
392.13989	2.2
435.12601	100.0
435.19269	5.3
436.12924	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	435.1648
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
57.03424	1.6
65.03938	6.3
67.05505	4.0
69.03415	9.4
69.43203	6.4
79.05511	6.2
81.03399	3.8
82.04188	3.2
85.02888	9.9
87.04468	4.3
91.05460	3.2
93.03365	2.4
95.04962	6.1
97.02888	4.7
98.22752	2.7
105.04468	1.6
105.06971	1.5
107.04954	17.2
110.03663	2.8
111.04359	1.5
115.03925	4.8
115.05450	3.7
116.04256	2.2
117.06998	5.1
121.02840	2.5
123.04430	2.8
124.05242	1.5
125.05971	2.9
127.03905	6.9
129.06982	2.9
131.04903	1.3
133.04955	2.8
133.06494	1.9
137.02357	4.2
138.03145	1.6
138.87445	1.2
141.07010	1.8
144.05666	4.4
145.06468	9.2
147.07983	1.4
152.04666	2.1
153.01854	2.4
153.05461	7.5
155.04874	1.5
155.06062	1.8
157.06506	3.7
159.07982	3.2
161.05959	6.8
163.03909	1.8
167.07031	51.0
171.06505	4.9
172.05202	10.8
173.05956	6.3
175.07584	2.3
181.04941	100.0
185.05952	1.7
187.07545	10.4
189.05406	3.3
191.07021	2.1
191.10632	1.8
193.05118	1.3
195.06520	2.2
200.04681	4.3
201.05438	8.6
203.07175	1.5
205.08580	5.8
206.05750	3.5
207.10167	2.8
210.96786	1.4
217.08699	2.4
218.05618	6.8
219.10117	6.3
221.08049	7.0
229.04945	2.4
231.06517	2.1
233.08054	67.1
234.08441	2.7
235.09589	3.1
245.08107	3.6
251.09186	3.8
257.13974	1.8
263.09174	12.5
288.83844	1.3
295.09735	1.7
303.04956	60.0
304.05234	3.6
306.08649	1.5
307.09583	3.1
311.12717	1.6
315.04968	4.0
325.10260	1.5
335.09213	2.5
345.05939	3.2
355.11877	3.5
367.11752	3.2
381.13174	3.5
387.14291	10.2
399.14380	5.2
417.15445	27.4
418.15820	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	435.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51541	1.6
65.03929	7.0
69.03410	3.6
71.43319	1.8
76.99268	1.4
79.05487	7.4
81.03403	5.0
81.07055	1.9
82.04192	3.1
83.95316	1.6
85.02900	7.2
90.59457	1.5
91.05464	3.5
95.04959	4.9
97.06519	2.7
105.03338	1.9
107.04948	15.8
110.03660	3.5
110.83382	1.8
111.04438	1.9
115.05447	3.9
117.07001	3.5
123.04400	4.7
124.05215	4.0
125.05968	4.6
127.03907	5.9
129.06999	3.0
133.06520	2.1
137.05975	7.9
138.03101	2.4
143.04918	1.7
144.05699	4.2
145.06456	10.8
147.08023	2.0
152.04680	1.8
153.05426	3.8
155.06020	1.8
157.06482	4.4
159.07985	3.4
161.05968	5.2
163.03885	2.4
167.07034	45.5
168.07425	2.0
171.06522	6.6
172.05174	12.3
173.05948	7.1
175.07458	1.8
181.04941	100.0
182.05252	3.6
185.05927	1.9
187.07492	8.9
189.05505	2.1
191.10716	1.8
195.06432	2.7
197.07950	2.3
200.04692	3.9
201.05438	6.1
203.07028	2.0
205.08604	4.9
206.05675	2.4
218.05692	6.0
219.10135	6.0
221.08084	8.6
224.98421	2.8
227.97281	1.8
233.08067	56.2
234.08565	2.5
235.09656	2.2
242.99565	2.3
245.08180	2.8
251.09189	4.6
263.09204	13.7
307.09363	1.8
308.99692	1.7
355.11624	3.2
355.99664	5.0
367.11649	4.0
368.12146	1.8
371.02017	6.9
380.63425	1.6
387.14304	9.7
399.14233	5.0
417.15375	29.5
435.08432	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.165
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
50.37959	0.8
52.69138	0.7
53.03936	1.8
55.01852	1.3
55.05510	1.0
55.29258	0.8
55.70474	0.8
63.17680	0.8
65.03941	7.6
67.05517	5.1
69.03424	4.1
69.75733	0.8
71.04978	1.4
77.03934	1.0
79.05489	9.1
79.59347	0.8
81.03400	4.1
81.07047	2.7
82.04187	2.9
85.02888	5.7
86.67357	0.8
87.00809	0.9
91.05465	4.2
93.03418	2.0
93.07066	1.3
95.04961	4.7
95.08608	1.5
96.73096	0.8
97.06524	2.5
97.76688	0.8
101.58730	0.8
105.04523	1.0
105.07023	1.9
107.04943	16.8
107.08546	1.4
108.02074	1.5
109.06565	0.8
110.03632	2.9
115.05437	4.4
117.07032	4.9
119.05009	0.9
119.08588	1.1
120.02124	1.1
121.06517	1.6
123.04428	3.2
124.05206	4.4
125.05956	3.4
127.03895	5.3
127.05391	1.1
128.06223	1.3
129.07002	2.6
131.04898	2.1
131.08530	2.0
133.02872	1.2
133.06480	1.9
133.10123	1.4
135.11644	2.2
137.06004	2.0
138.03104	3.5
138.46446	0.9
141.06989	2.1
142.04213	0.9
144.05670	5.3
145.06468	9.3
147.04382	2.1
150.91194	0.8
151.03970	1.2
152.04652	2.5
153.05472	5.8
153.12729	7.3
155.04913	1.7
155.06032	3.0
157.06462	3.1
157.44812	1.0
157.77161	0.9
159.08011	5.0
161.05994	5.3
166.02525	1.5
167.07030	49.5
168.07393	1.1
171.06523	6.7
172.05176	12.0
173.06007	5.9
175.07506	2.0
176.08307	0.9
177.05481	0.8
177.09042	0.8
181.04938	100.0
182.05353	2.1
183.04431	1.0
187.05933	1.3
187.07497	8.8
189.05424	3.7
190.06169	1.9
191.06979	1.9
191.10646	3.5
195.06506	2.3
200.04657	4.2
201.05437	6.9
203.07022	1.1
205.06902	0.9
205.08505	4.9
206.05727	2.4
207.10164	1.1
217.08583	1.9
218.05698	7.4
219.10046	5.0
221.08011	7.1
228.16556	1.0
231.06473	1.6
233.08057	62.1
234.08553	2.2
235.07539	0.9
235.09679	2.7
244.87720	0.9
245.07997	1.9
246.06686	1.0
247.07442	0.9
247.17737	1.0
251.09105	5.4
263.06799	1.1
263.09167	12.6
265.08911	1.0
271.53427	0.9
273.11160	1.4
277.08484	1.3
279.09937	1.5
281.07919	1.2
292.07150	1.8
293.07901	1.1
296.10297	1.1
307.09430	2.2
323.08954	1.5
325.07098	1.0
331.08505	1.2
335.09335	0.8
339.12354	1.4
355.11789	2.9
367.11960	4.0
371.14944	1.8
372.11810	1.0
381.13229	1.9
387.14386	8.8
399.14438	6.4
405.15585	1.2
417.15384	30.2
418.15601	1.1
435.15643	2.2
435.20029	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	435.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05505	0.9
65.03948	7.0
67.05495	2.7
69.03425	3.4
71.04994	0.9
71.43919	0.7
78.04726	1.4
79.05483	8.8
81.03429	4.4
81.07050	2.2
82.04198	3.1
85.02902	5.6
91.05471	2.9
93.03416	2.1
93.07050	1.3
94.04155	0.8
95.04959	4.2
95.08617	1.0
97.02900	1.1
97.06520	2.2
105.04507	1.2
105.07034	1.5
107.04951	19.7
108.02090	1.6
109.10165	1.0
110.03693	4.0
111.04458	2.3
115.05447	4.1
117.07039	4.4
121.06546	1.6
122.03662	1.3
123.04427	3.0
124.05203	3.2
125.05991	4.1
127.03876	5.0
128.06190	1.5
129.06996	3.7
130.12524	0.9
131.04819	0.9
131.08542	2.4
133.06471	2.4
135.11636	1.6
137.02390	1.2
137.05971	2.6
138.03087	1.9
141.06975	1.5
142.02594	1.2
144.05710	4.3
145.06483	9.3
147.07999	2.0
151.03903	1.1
152.04591	1.6
153.05460	5.2
153.12730	5.4
155.05965	1.7
155.07048	0.9
157.06520	2.9
159.08028	4.8
160.05148	0.8
161.05948	4.1
161.09468	1.1
167.07033	56.4
168.07379	2.4
171.06529	8.4
172.05182	9.9
173.05991	5.6
174.06602	0.8
175.07568	1.9
177.09033	0.9
180.47618	0.9
181.04951	100.0
182.05312	2.6
185.05878	0.8
187.07545	8.1
189.05452	2.4
190.06242	1.2
191.06929	2.1
191.10677	2.3
193.04935	1.0
194.29590	0.8
195.06461	2.1
200.04694	3.4
201.05460	7.2
202.06148	1.0
205.06871	0.9
205.08586	5.2
206.05745	3.1
217.08572	2.0
218.05725	7.2
219.06470	1.1
219.10123	7.1
221.08035	6.5
231.06413	1.1
233.08066	63.6
234.08418	3.1
235.09666	2.9
245.08086	2.5
247.07454	1.2
251.09120	4.3
263.06674	1.4
263.09167	16.0
264.07599	0.9
277.08527	1.0
293.07886	1.6
307.09552	1.4
309.07410	0.9
323.09164	1.2
337.10739	1.0
339.12125	1.3
344.12662	1.6
346.10703	1.0
352.09589	1.1
355.11960	5.2
356.12350	1.0
357.13373	0.8
367.11798	4.1
371.15094	1.4
372.12094	1.1
381.13193	2.4
384.11526	1.0
387.14337	9.8
391.13446	1.7
399.14117	5.6
417.15414	32.7
418.15549	2.3
435.12469	2.5
435.20297	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	435.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67229	0.7
53.03936	0.8
55.01863	1.3
57.03426	0.7
65.03928	3.8
65.06366	0.7
67.05500	7.0
67.19023	0.6
67.88210	0.8
69.03430	3.9
69.07059	1.4
69.31326	3.1
71.04974	1.0
73.02917	1.0
75.04462	3.4
79.05489	5.7
81.03408	3.5
81.07056	7.1
83.04974	0.8
85.02901	8.6
87.00826	1.2
91.05477	3.1
93.07042	8.5
95.04948	3.4
95.08595	2.1
97.02908	5.6
97.06549	0.9
99.04454	1.5
103.03972	1.2
104.27726	0.6
105.01868	3.1
105.07024	3.1
107.04975	0.6
107.08607	6.6
109.02914	1.2
109.10157	4.2
111.04429	4.1
115.05516	0.8
117.07035	1.0
119.08582	1.8
121.02860	100.0
121.03890	4.4
121.10108	2.0
122.03216	1.3
123.04419	2.3
127.03902	4.2
129.07021	1.4
131.08542	2.0
133.10144	2.4
135.11685	8.4
139.03883	3.6
143.08525	1.0
145.04929	1.6
145.10117	2.8
147.08067	1.4
147.11702	1.6
149.09715	0.8
157.10150	0.7
159.02858	0.8
159.11679	1.1
163.11206	1.0
171.11563	0.7
175.11188	1.3
177.09088	0.8
181.04965	1.6
201.12860	1.2
210.07706	1.2
219.13773	1.2
223.06042	2.8
225.12823	1.1
231.13803	0.8
243.13760	5.9
261.14801	3.8
265.07126	1.6
283.08112	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95010	0.4
53.03940	1.2
55.05486	0.5
55.57445	0.4
61.31989	0.4
65.03931	2.8
67.05495	1.8
68.95647	0.4
69.03433	3.6
69.07051	1.4
70.11111	1.2
79.05486	1.9
81.03413	15.5
81.07050	1.6
83.04982	0.5
85.02908	2.5
88.70715	0.4
91.05470	3.6
93.07041	17.3
95.04960	3.3
95.08622	2.2
97.02894	1.1
97.06527	1.6
99.04441	1.4
105.01855	0.9
105.07024	1.4
107.08588	11.6
109.02876	6.2
109.10144	8.5
111.04419	3.2
119.08569	0.7
120.30267	0.4
121.02856	100.0
121.03880	3.1
122.03194	1.8
127.03915	3.1
135.11684	19.2
136.12010	0.5
136.21169	0.4
137.09665	0.4
139.03877	5.9
145.04970	1.2
153.12727	2.0
181.04898	0.5
181.12221	0.9
247.05928	0.6
250.74211	0.5
261.14636	0.4
265.07056	22.2
283.08112	7.2
312.30176	0.4
378.95010	0.4
417.19025	0.4
435.20059	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	435.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
54.25378	0.8
55.05510	1.0
65.03935	2.7
67.05500	2.3
69.03423	2.7
69.11497	2.0
69.11904	4.2
75.04477	2.4
79.05507	1.4
81.03413	2.4
81.07046	13.1
85.00688	0.9
85.02911	1.7
88.57733	0.8
91.05486	2.1
93.07030	8.7
95.04969	4.6
95.08591	7.6
97.02882	1.8
98.22701	2.2
100.11252	2.5
102.75452	0.8
105.07030	2.1
107.08597	10.8
109.02915	1.2
111.04413	3.0
119.08501	1.0
121.02862	100.0
121.10143	0.9
122.03187	1.9
133.10136	1.8
135.11671	9.5
137.13254	4.1
139.03909	5.4
147.11696	1.7
153.12762	3.2
163.11128	1.3
165.12737	4.4
168.41086	1.0
175.11087	1.1
197.13260	1.3
202.23294	0.9
243.13699	1.4
252.48402	1.0
261.14856	3.0
265.07074	2.9
279.15955	2.7
283.08127	6.2
297.16956	3.7
322.89520	1.0
382.80020	1.0
399.18042	2.5
417.19119	1.6
435.19687	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73611	6.5
55.05505	16.6
57.28514	9.4
67.05494	19.0
69.03424	9.3
69.05680	6.4
69.07053	15.9
71.04986	13.1
79.05478	10.8
81.07048	18.4
83.04945	11.3
91.05475	31.1
91.70291	6.0
93.07037	31.2
95.04947	16.3
95.08598	22.2
101.87314	7.1
103.95112	6.4
105.07021	67.5
107.08564	38.9
109.06502	100.0
109.10167	16.9
117.07001	17.0
119.08581	32.6
121.10133	29.7
123.08044	10.1
125.09590	6.8
129.06989	17.2
131.08531	26.4
131.56889	7.3
133.10101	20.4
135.08034	27.4
137.09624	10.7
140.52919	6.7
141.06975	7.3
142.07744	15.0
143.08551	28.5
145.10129	37.8
147.08060	14.3
147.11705	7.5
149.09564	21.6
155.08513	22.1
156.09288	16.1
157.10103	38.4
159.11638	19.2
161.09595	10.7
167.10663	24.6
169.10123	19.7
171.11646	24.9
173.09592	9.8
173.13211	12.4
181.10027	10.7
183.11688	15.8
185.09604	7.8
185.13324	6.7
187.11139	12.2
194.10988	9.4
195.11632	17.5
197.13286	13.2
199.11116	12.4
207.11627	8.0
208.12468	10.4
209.13219	12.2
211.11191	8.1
211.14754	12.3
215.14301	24.2
227.14319	8.7
232.12386	7.6
233.13290	9.0
233.15343	11.2
237.16255	8.7
249.16586	7.0
253.15968	9.7
285.18491	13.6
287.78391	7.1
299.19949	8.1
417.27597	11.1
435.28867	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	436.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13658	0.9
63.31096	1.0
71.18762	1.0
75.04474	100.0
79.05481	1.4
81.03425	1.7
84.76347	1.0
98.22762	1.1
105.03390	5.2
121.06503	1.1
123.04445	1.6
132.04428	1.6
133.02864	1.4
136.10963	1.0
137.05920	1.5
151.03909	2.7
151.48488	1.0
153.05467	2.0
160.03911	1.3
162.05499	4.1
163.03912	1.2
165.01820	1.2
167.05673	1.3
175.02657	2.4
176.07059	1.5
178.04958	1.9
181.07426	1.9
181.51079	1.0
182.08136	5.1
183.06644	1.3
192.06560	4.2
193.07320	2.2
194.08076	1.9
196.09686	1.9
208.09753	1.3
222.07614	12.7
224.06961	0.9
224.09242	1.5
236.09062	2.5
249.07532	1.3
250.07089	7.2
264.08777	3.3
270.07574	2.2
272.05817	1.2
284.09225	1.7
296.11255	5.6
298.03680	2.4
298.07144	2.5
298.10504	1.8
300.08548	1.8
312.08707	1.6
314.06372	2.5
316.08157	1.6
316.11478	1.3
326.10233	1.4
328.08371	2.1
329.08972	2.9
330.09912	1.5
332.11240	2.3
340.07898	2.6
343.10345	1.4
344.11182	9.6
345.08286	2.5
358.12912	2.2
360.10693	4.3
372.10721	16.4
376.13837	2.0
385.95535	1.1
386.12173	2.6
404.13416	7.3
418.14774	1.4
436.15958	68.2
437.16245	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	436.2107
Annotation	Cryogenine
Peak:m/z	Relative Intensity
53.02777	1.2
55.01863	12.9
55.05509	11.6
56.05021	2.5
57.07067	5.4
57.61157	1.1
58.99580	11.0
61.01134	2.7
62.99072	10.0
64.07040	1.1
67.05497	8.5
69.07060	100.0
69.76275	4.6
70.02948	2.0
70.07393	1.3
73.01131	1.6
74.00664	20.5
76.02227	5.3
76.04001	5.9
77.00623	1.6
79.05484	1.4
81.07076	2.6
83.06104	4.8
83.08612	3.5
84.04498	44.8
85.02918	1.2
85.04018	3.1
86.99046	8.9
87.02686	33.3
88.02206	9.5
93.07046	2.9
98.23488	1.5
98.25469	1.1
99.02674	5.2
99.05567	3.8
101.04259	6.9
101.04834	1.3
107.08627	3.0
109.10152	4.7
111.11702	12.5
112.03955	12.9
113.03493	1.9
113.04227	3.1
116.00845	2.2
116.01667	41.8
129.06587	12.5
130.04988	57.8
131.04507	1.3
135.11687	2.6
142.03181	2.1
143.08888	18.9
144.01134	16.6
145.06052	10.4
157.10547	1.3
159.08371	20.5
160.08549	1.4
161.09929	26.4
162.02179	82.6
163.02530	1.9
169.10399	10.2
171.75230	1.6
174.02361	1.4
177.03232	10.5
186.13196	9.6
186.14659	1.9
187.11517	18.4
204.14162	8.7
272.10162	2.3
272.13120	42.8
273.13409	2.9
289.15778	16.6
290.14136	57.0
291.14548	2.6
307.16806	26.8
308.17053	2.1
343.16800	2.5
361.17892	27.4
418.19977	1.9
419.18588	1.7
436.20908	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	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32694	0.5
53.03930	1.9
55.01867	3.0
55.05505	42.3
56.05843	6.0
57.03423	2.3
57.07061	2.4
59.80755	0.6
61.02908	2.2
67.05489	3.6
68.99777	1.4
69.03062	1.0
69.03424	14.2
69.07058	3.3
69.40749	2.9
70.06583	3.3
71.04984	2.2
71.06905	0.9
73.02904	2.7
79.05445	1.1
81.03407	10.6
81.07044	4.1
82.06577	17.5
82.07324	0.7
83.04975	5.2
83.06897	3.4
83.08611	29.8
83.25296	0.6
84.08173	2.8
84.08942	6.3
85.02895	41.8
85.06528	2.3
86.03225	0.7
87.00820	19.1
87.04474	0.6
89.41232	0.5
90.54478	0.5
91.03949	1.3
91.05473	2.5
92.39811	0.6
93.03416	0.7
93.07039	12.0
94.06527	1.0
95.04951	0.7
95.08588	4.2
96.08109	1.0
97.02883	16.8
97.06509	1.6
98.09698	4.4
99.04438	6.2
99.09995	0.7
99.18009	0.5
100.07607	10.9
100.11243	100.0
101.07944	1.9
101.10972	1.2
101.11572	21.9
103.05456	7.5
105.01856	29.2
105.07024	0.9
107.04962	0.6
107.08575	7.8
108.04493	0.9
109.02097	0.6
109.02865	15.3
109.10138	16.1
110.06028	9.2
111.04434	17.3
111.06364	1.7
112.04776	3.4
112.07592	4.6
113.07938	0.7
115.03939	0.6
117.01839	1.1
117.13871	1.4
119.04916	1.1
119.08591	0.7
125.13295	1.1
126.09142	3.7
127.03903	31.3
127.08681	4.5
127.09506	1.3
128.04239	0.8
128.07066	10.5
128.08995	1.1
129.01807	1.1
129.05516	1.1
129.07408	2.1
131.04918	11.6
133.10103	1.0
135.04393	0.8
135.10626	1.0
135.11673	17.4
139.03885	2.2
139.08653	11.1
140.07097	3.5
140.09042	3.5
141.07390	1.7
145.04941	14.8
147.02962	1.0
147.04388	8.0
147.11710	1.4
149.05972	2.7
149.13220	0.6
151.11179	0.6
153.12726	23.1
154.13029	0.6
159.02901	6.2
159.04414	15.7
160.04703	0.7
164.14331	1.9
165.05452	0.9
165.14729	1.1
166.15968	0.6
168.13838	0.8
174.12756	1.1
175.03903	5.3
177.03955	0.9
177.05455	11.4
181.04980	1.3
182.15387	46.2
183.15712	21.5
183.17317	0.9
189.04010	1.3
192.13835	1.9
193.04945	4.3
193.14178	1.5
203.03397	1.6
209.16466	39.8
210.14886	43.9
210.16820	22.3
211.15213	28.2
212.15404	0.7
213.03935	2.6
221.04405	14.0
222.04709	0.7
226.19112	22.8
227.19447	14.4
228.15907	4.6
229.16307	1.9
231.04961	11.5
249.06102	3.4
261.14822	1.0
288.05817	1.5
289.06110	1.6
290.06290	2.3
310.25604	1.3
335.24512	1.8
336.22485	13.6
337.23077	21.5
383.16992	1.1
417.32288	1.0
418.32599	5.9
435.33282	21.5
435.39331	1.1
436.33572	82.7
437.33932	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	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.6
54.77608	5.2
55.05510	7.9
57.03425	5.8
67.05480	8.7
69.03428	37.4
69.07068	36.3
69.26214	30.6
71.04984	11.3
72.74712	5.8
73.06553	4.9
79.05488	53.7
81.03413	20.8
81.07054	24.5
83.08624	10.1
85.02884	74.4
87.00820	38.2
91.05460	12.7
93.07043	70.1
95.08583	17.7
97.02881	55.7
97.06514	17.2
99.04462	15.9
105.01855	75.6
105.07024	9.4
107.08588	63.0
109.02874	32.6
109.10179	9.4
121.28357	5.5
125.13247	9.4
127.03919	80.4
135.11688	100.0
137.13222	10.2
145.04941	55.9
153.12726	41.0
159.02884	8.6
231.05109	15.7
249.06238	15.1
339.44467	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	11.2
67.05515	10.0
69.03420	35.5
69.07069	26.8
69.63940	37.6
74.61906	9.9
76.43182	10.9
79.05480	26.5
81.03404	22.5
81.07053	16.1
82.74065	12.3
85.02903	100.0
87.00809	41.0
91.05490	16.4
93.07037	30.8
95.08612	20.5
97.02893	63.2
97.06531	15.0
100.11232	17.2
105.01833	76.8
107.08603	36.3
109.02885	23.0
120.04427	27.3
127.03889	70.8
135.11678	45.5
140.46652	10.2
145.04947	41.8
154.08557	24.5
167.06989	21.3
181.04927	16.5
182.05324	12.6
231.04901	32.1
437.21091	13.9
455.67487	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68221	3.2
55.01876	4.5
55.05513	7.6
57.03439	4.2
64.77510	3.3
67.05485	9.7
68.99798	4.0
69.03436	23.5
69.07049	5.5
79.05479	23.1
80.22074	3.1
81.03428	17.1
81.07048	14.2
84.08102	4.5
85.02895	52.2
87.00818	28.9
91.05468	24.5
93.07039	89.8
95.04971	16.1
95.08607	30.4
97.02370	3.3
97.02908	26.0
97.06514	3.9
99.04429	11.1
100.11249	10.3
105.01878	37.7
105.04504	4.4
105.07014	13.7
106.06541	11.1
107.04942	5.4
107.08585	100.0
109.02884	17.2
109.06509	6.4
111.04449	4.5
115.03970	4.0
115.05540	3.4
117.01847	4.6
117.07037	4.3
119.08551	4.3
121.02859	40.0
122.02715	14.9
123.04384	4.4
127.03921	42.7
135.11693	61.5
137.05974	5.5
139.03867	4.8
145.04962	18.2
145.10086	4.3
153.12686	7.1
157.10109	7.5
159.02905	12.2
161.06006	3.8
163.03859	9.3
165.05516	4.1
167.06944	8.1
168.07399	5.0
170.45258	3.6
172.05188	3.2
181.04942	17.6
182.05255	9.6
187.07558	3.9
201.09299	3.9
207.22191	3.5
209.16565	5.7
210.14935	4.7
210.16809	7.0
211.11118	5.9
215.07013	10.8
225.12714	5.4
231.05029	14.4
233.08081	10.0
234.08400	8.0
245.08092	5.8
249.06154	5.1
253.12312	6.4
260.93936	3.3
281.29453	4.2
284.66196	3.4
315.12216	24.2
401.91333	4.1
432.71033	4.3
436.33530	6.9
437.14102	42.3
437.20618	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25562	1.7
53.03942	6.1
54.63689	1.7
54.87472	1.7
55.01869	7.0
55.05505	2.5
57.03433	4.3
57.07069	2.0
61.02921	5.0
67.05498	4.6
68.99792	4.2
69.03427	39.8
69.07069	3.9
70.41158	3.5
71.04982	5.4
73.02895	6.1
73.11278	1.6
77.90244	1.8
79.05492	7.3
81.03416	22.3
81.07049	6.7
81.55416	1.6
83.04990	4.3
84.97677	2.0
85.02900	100.0
87.00826	48.4
91.03981	2.7
91.05489	5.4
93.07033	33.8
95.06091	2.5
95.08610	7.8
97.02879	25.8
98.23327	2.1
99.04456	12.7
105.01861	85.4
105.04549	2.1
105.07022	2.2
107.08588	43.4
109.02869	23.3
109.10136	12.7
113.07115	10.7
115.03941	2.3
115.39725	1.6
126.05457	1.9
127.03907	64.0
129.01878	3.5
135.11682	41.3
136.12032	2.6
145.04939	30.2
153.12718	19.0
156.07050	1.8
159.02882	10.7
161.79321	1.8
163.03926	5.7
189.03928	3.9
213.03893	2.3
231.04990	22.3
248.07742	2.0
249.06082	15.6
339.27356	1.7
436.06287	4.4
437.14560	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
57.03423	4.6
62.61858	3.9
67.05508	5.5
69.03414	22.7
69.07047	13.3
70.06583	3.9
70.47163	8.3
79.05485	37.6
81.03390	11.6
81.07050	35.7
85.02897	48.0
87.00831	22.7
91.05463	9.2
93.07041	47.7
95.04942	6.3
97.02872	17.8
97.06522	6.2
99.04437	7.5
105.01850	41.1
105.07008	5.4
107.08579	47.7
109.02863	9.8
109.10130	5.8
119.08569	4.6
127.03886	33.3
135.11674	100.0
136.11986	3.5
137.13237	11.7
145.04935	18.8
153.12724	7.3
159.02773	5.3
167.06973	4.8
177.05402	4.5
181.04910	10.7
182.05286	8.6
231.04915	11.7
234.08369	6.5
249.06024	9.4
261.15161	3.7
331.05792	3.9
383.17276	6.4
418.15549	5.2
437.14148	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	5.7
70.17225	5.5
75.04463	2.9
85.02914	5.2
103.05465	3.7
105.07029	29.9
122.03708	3.0
133.06490	49.8
137.05974	100.0
163.07515	3.9
165.09113	30.0
175.07550	4.9
181.04910	8.7
181.08563	2.7
183.10139	25.3
184.10431	2.8
221.11813	4.8
239.12787	4.1
257.13791	50.7
258.14056	3.1
265.15298	8.1
436.18863	3.0
437.10049	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70618	10.7
54.45617	11.2
62.09830	11.3
69.03430	35.8
69.14538	73.7
70.28418	9.3
73.02886	19.2
74.76956	10.0
79.05506	18.7
81.03403	19.2
83.58441	10.4
85.02901	81.8
87.00811	46.0
91.05466	17.6
93.07043	32.7
97.02888	76.3
105.01866	42.6
107.08573	35.6
109.02856	36.2
117.03376	9.9
127.03899	55.7
135.11699	100.0
135.75470	9.8
145.02852	25.1
145.04926	34.8
153.12701	19.5
158.50778	11.7
159.02933	28.7
177.05486	37.4
200.38332	10.0
231.05022	25.8
261.12607	17.0
283.28796	12.4
437.17044	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	31.3
64.62750	27.4
69.13808	100.0
69.14211	55.3
83.04990	32.3
86.09698	51.4
93.07099	29.4
94.09516	26.9
95.08624	35.4
98.23466	50.9
105.07031	59.6
107.08596	36.3
109.06532	35.5
110.08527	28.2
119.08560	36.9
128.86751	24.7
131.08574	69.2
145.10129	86.7
156.09082	28.1
156.98120	30.7
159.11691	58.7
201.16376	75.1
256.29672	27.7
313.95691	32.7
403.00189	34.4
432.51764	30.1
437.19315	35.6
437.32343	26.3
442.50372	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.9413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91889	1.2
53.03690	1.0
56.26397	1.1
58.52671	1.1
60.76051	1.2
64.10156	1.1
64.81801	1.2
70.01538	2.2
70.01862	1.3
98.97583	4.9
135.60612	1.3
136.94012	100.0
236.95807	1.5
274.97504	4.4
278.92181	2.7
278.95139	40.7
279.95200	2.6
294.92905	17.1
311.58966	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.942
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74737	1.4
70.26745	1.5
71.41170	1.4
73.58950	1.5
80.68671	1.7
81.15768	1.9
85.92667	2.0
93.11785	1.6
94.92999	4.7
112.89599	2.3
114.89362	2.4
120.96638	10.5
136.94016	100.0
155.72311	1.6
162.65096	1.7
162.97498	1.6
206.18996	1.7
262.57623	2.1
274.97482	1.7
278.95181	42.8
279.92801	3.2
292.98004	2.4
294.92914	13.9
338.97061	3.5
366.89899	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66071	0.3
56.23731	0.3
63.01717	0.3
70.88641	0.5
79.05495	0.3
81.03403	0.4
91.05471	5.4
97.88740	0.3
131.64323	0.3
149.12817	0.3
185.04198	3.8
198.99152	0.3
275.08923	2.0
293.09872	1.6
329.08493	0.5
335.10818	0.5
375.14069	4.5
376.14496	0.4
377.12189	1.8
419.13248	0.7
437.14136	100.0
438.08908	0.6
438.14523	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	437.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42244	0.5
69.03427	0.8
69.78298	0.6
69.78659	1.5
81.07058	0.5
85.02924	0.9
95.08633	0.4
105.01900	0.5
105.07036	0.7
127.03902	0.9
137.40776	0.5
158.45282	0.5
163.03912	0.5
167.27068	0.5
177.05521	0.8
181.05005	0.6
187.53554	0.4
223.80630	0.4
265.99573	0.4
276.80307	0.4
437.14236	100.0
438.14468	7.4
447.16263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26424	0.3
68.34931	0.3
81.03413	0.4
91.05481	5.3
101.71880	0.3
120.49947	0.3
121.02863	0.5
122.96645	0.3
130.06511	0.4
138.54430	0.3
151.14807	0.4
185.04202	3.9
194.87706	0.3
275.08826	2.3
293.09888	2.0
329.08429	1.0
335.11057	0.5
375.14105	6.0
377.11810	1.7
419.13052	1.0
437.14136	100.0
438.14502	6.9
457.31396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94746	0.3
69.12914	2.0
77.52507	0.3
85.02873	0.4
98.23511	0.7
147.04382	0.5
155.14273	1.5
173.15337	0.6
182.74385	0.4
226.72014	0.4
231.13638	1.9
257.11450	0.7
259.13055	0.7
275.12512	28.7
276.12814	1.0
352.80829	0.3
393.18881	1.5
437.17798	100.0
438.18158	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	437.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29085	5.0
55.32850	4.7
63.18539	4.6
70.06583	5.4
70.18967	8.7
70.19293	7.7
82.10359	5.2
98.22747	6.8
123.62759	5.7
126.01050	43.8
128.00734	14.9
147.04398	26.3
163.03842	7.1
184.48836	5.3
185.62177	4.8
211.05545	26.2
211.07457	100.0
377.05951	5.3
437.10394	84.3
438.10422	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	437.2896
Annotation	Pancherin A
Peak:m/z	Relative Intensity
53.03946	2.6
55.05507	48.9
57.07095	1.3
61.39688	1.1
67.05501	6.7
69.03411	1.2
69.07063	6.9
70.55591	1.5
79.05479	6.5
81.07050	13.9
83.04972	100.0
83.08612	2.4
84.05283	1.5
85.28532	1.1
91.05464	7.0
93.07027	16.3
95.04964	1.9
95.08600	15.9
97.06514	2.1
97.10145	1.9
99.08083	2.5
101.06013	3.0
105.04514	1.1
105.07013	15.9
107.08589	18.2
109.06518	2.3
109.10152	11.7
117.06995	3.5
119.08558	11.4
121.06507	1.4
121.10138	12.6
123.08000	1.7
123.11684	4.1
125.09568	1.3
130.07764	1.3
131.08537	5.0
133.10133	7.8
135.11693	8.8
137.09579	1.3
139.11205	2.4
145.10101	13.8
146.83849	1.1
147.11658	2.9
149.13216	1.8
151.11098	1.3
157.10120	1.3
158.10928	1.2
159.11674	13.6
161.13222	5.9
163.11180	4.2
163.14754	1.9
173.13243	2.1
175.14859	4.4
177.12749	3.1
177.16357	2.0
181.12167	1.9
183.10167	3.0
191.17918	3.9
201.16351	11.5
219.05099	1.2
219.17377	11.3
222.92931	1.1
237.18472	5.0
270.91174	1.1
324.65317	1.1
337.23676	2.9
437.19269	5.0
437.28989	2.7
437.34241	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	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05386	2.1
55.05516	13.6
57.07063	4.1
61.40559	2.0
67.05492	26.9
67.38168	2.0
69.07056	12.4
69.31199	9.5
71.04954	2.1
73.29417	1.9
79.05128	1.6
79.05488	15.2
81.07047	46.7
83.08595	5.3
85.06544	4.2
91.05481	13.6
93.07035	25.9
95.08600	38.2
97.06538	2.4
97.10138	4.1
105.07014	25.9
107.08590	33.9
109.10129	20.5
116.45501	2.1
117.07009	4.2
119.08562	43.1
120.08881	3.1
121.10117	19.7
123.11671	9.7
131.08534	12.5
133.10114	33.3
135.11687	10.0
143.08545	2.7
145.10088	24.2
147.11690	28.4
149.13228	7.8
153.09129	4.2
157.10103	4.3
159.11688	25.6
161.13246	19.0
163.14900	3.5
167.10724	3.4
168.18250	2.0
171.11630	4.5
173.13229	11.0
175.14774	9.9
177.16348	17.0
183.11591	2.2
185.13260	5.0
187.13347	3.2
187.14789	14.0
189.16360	100.0
191.17931	4.3
199.14790	6.4
201.16383	31.6
203.17935	48.2
205.19461	6.9
213.16438	4.8
215.17929	10.5
229.19455	2.6
247.17001	6.0
249.18526	10.3
295.24219	3.3
349.28928	4.8
391.33746	11.7
395.29492	6.1
419.33444	3.2
437.19391	11.6
437.28772	8.3
437.34045	70.2
438.34225	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	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.3
57.07075	26.5
65.03940	2.5
67.05499	25.4
69.07062	27.3
69.15639	13.3
71.08622	22.5
72.28777	2.3
79.05474	14.2
81.07047	60.0
83.08619	10.5
85.10185	10.1
89.06030	26.3
91.05475	12.7
93.07024	27.5
95.08596	100.0
95.09210	5.1
97.10152	5.7
105.07015	30.5
107.08578	36.0
109.10140	34.8
111.11698	3.3
117.06982	6.5
119.08572	50.3
121.10113	23.0
123.11678	18.9
129.06987	2.9
131.08543	15.9
133.08595	21.9
133.10091	26.3
135.11697	19.2
137.13245	13.6
143.08569	11.7
145.10109	36.8
147.11697	22.9
149.13271	11.8
151.14833	5.2
153.09071	2.6
155.08514	5.3
157.10098	12.5
159.11682	20.9
161.13214	15.3
163.14783	13.8
169.10132	8.0
171.11664	21.6
173.13275	20.4
175.14810	26.8
177.11275	5.2
177.16426	5.9
183.11671	5.2
185.13264	10.0
187.14824	6.9
189.16373	15.1
191.17931	9.7
197.13249	7.7
199.14807	10.8
201.16356	17.6
203.17961	12.9
209.13290	3.1
211.14813	6.1
213.16376	12.9
215.17952	8.6
217.19560	4.6
221.15410	4.0
225.16357	8.7
227.17839	6.4
229.19565	4.6
239.14960	13.5
239.17897	16.1
241.19495	17.5
243.21120	3.7
245.15407	3.5
253.19582	7.1
267.21121	4.6
270.67950	2.8
273.18246	2.9
279.20877	2.8
281.22653	3.8
285.18463	9.8
295.24115	5.1
312.20285	2.6
335.27280	3.9
341.73441	2.6
391.33530	21.8
406.04840	2.9
421.35110	14.3
437.19128	8.1
437.34113	56.9
438.34384	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24887	1.5
52.73264	1.4
55.05503	6.8
57.07069	1.7
67.05499	10.9
69.07066	13.0
79.05517	7.3
81.07047	23.9
83.08618	6.3
91.05476	12.8
93.07046	17.3
95.08595	40.8
97.10181	4.1
105.07022	34.3
107.08586	36.4
109.10144	20.2
110.10442	1.8
117.07021	4.5
119.08572	62.4
121.10119	26.0
123.11697	6.9
129.07051	1.6
130.07736	2.2
131.08534	13.5
133.10112	41.4
135.11681	15.2
137.13240	3.3
143.08592	4.8
144.09358	3.2
145.10120	40.6
147.11679	34.0
149.13255	8.7
153.09137	3.0
157.10092	6.8
158.10849	2.6
159.11673	40.6
159.12941	2.4
160.12341	2.9
161.13228	21.5
163.14818	10.0
171.11703	4.1
173.13229	18.1
174.13898	2.3
175.14807	22.9
177.16362	18.9
183.08356	1.6
183.11597	1.9
185.13261	2.9
187.14807	15.6
189.16367	100.0
190.16762	6.0
191.17949	6.8
199.14836	4.5
201.16368	52.4
202.16647	1.9
203.17931	54.4
203.19824	2.7
204.18370	2.9
205.19484	2.3
213.16388	8.1
215.17912	26.4
217.19559	5.4
221.15250	1.7
229.19456	5.7
231.17409	1.7
235.16954	3.6
241.19498	2.6
243.21010	3.6
247.16919	4.6
249.18520	4.3
253.20061	1.5
255.21138	3.1
259.17035	2.9
261.18469	3.5
287.20010	2.0
335.27127	2.0
349.28690	2.3
391.33490	11.6
395.29300	2.8
437.19293	6.5
437.34140	88.1
438.34567	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	438.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14701	1.9
65.03955	3.9
66.28203	2.1
67.05524	2.3
69.03432	4.9
69.28599	6.3
69.29007	6.7
70.40721	2.2
72.08125	2.2
75.04493	2.5
79.05540	2.4
81.03407	9.5
81.07054	2.5
85.02896	7.8
87.00802	2.3
89.03944	2.7
91.05472	5.0
93.07026	4.1
95.04957	9.4
97.02885	3.6
103.05415	2.2
105.01897	3.7
107.04944	6.4
109.02873	6.7
110.26189	2.3
111.04436	3.9
115.15681	2.5
119.04952	6.0
121.02864	100.0
121.06435	2.6
122.03246	3.7
127.03896	5.5
128.06207	2.5
132.67329	2.2
135.04388	5.8
136.11951	3.2
139.03865	19.5
145.02754	4.8
145.04948	3.1
147.04402	35.0
151.03906	38.4
151.05013	4.2
161.05956	10.4
161.09642	6.1
163.03894	40.9
163.07550	3.5
189.09094	8.0
191.07069	13.3
199.05046	20.7
204.10182	14.1
217.06158	2.9
218.11697	3.5
231.11295	10.6
233.08110	3.1
241.06027	8.3
265.07077	10.0
276.09790	7.6
283.08157	14.8
292.20288	3.0
421.10168	2.9
438.23682	20.3
439.15918	4.9
448.70578	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	438.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66109	0.3
54.61954	0.4
59.55350	0.3
63.68151	0.4
65.03954	0.7
69.20380	0.7
69.20786	1.5
75.04478	1.0
76.54375	0.4
77.03896	0.4
78.04700	0.5
79.05505	1.0
80.06260	0.9
89.03874	0.5
90.04681	0.6
91.05489	3.6
93.07047	0.9
93.17007	0.4
95.04968	0.9
103.05463	0.5
105.07030	1.4
106.04181	1.3
107.04955	5.6
108.05711	3.7
109.06532	0.5
117.07047	0.5
118.04115	0.5
121.06509	2.2
123.08114	0.5
129.06940	0.6
131.04916	1.1
131.08601	0.5
133.06474	1.6
135.04445	2.1
135.08017	1.1
136.05194	5.8
137.05965	2.6
138.06720	1.1
139.07561	0.7
145.06459	0.8
146.07278	1.5
147.08026	1.6
148.05173	6.8
150.06755	1.0
151.07530	100.0
152.07855	1.9
159.08043	1.1
160.08789	1.0
161.05986	2.7
161.09630	0.5
163.07524	4.8
164.08319	0.7
165.05470	0.8
165.09091	3.8
166.06250	9.3
167.07050	2.2
171.08000	0.5
172.08879	0.7
173.05962	0.9
173.09685	0.4
174.06702	0.7
175.07489	1.0
176.08305	2.6
177.05502	0.5
177.09123	8.6
179.10704	1.1
180.07790	0.8
181.08583	55.7
182.08952	1.7
186.10303	0.5
187.07521	1.0
188.08275	2.3
189.09109	3.1
190.09866	1.0
191.07013	0.8
191.10623	4.1
192.07919	0.6
193.08583	1.8
195.10138	2.6
201.09108	1.4
202.09854	2.1
203.10637	4.1
205.08511	1.0
207.10127	2.4
216.11436	1.6
217.12224	3.3
218.09410	0.7
219.09935	0.5
221.11703	1.8
233.11766	1.5
235.13396	0.6
247.13254	2.6
251.12810	1.1
265.14285	1.1
284.58813	0.5
353.17432	1.7
354.18198	2.8
370.17706	11.0
370.22379	0.7
371.18103	0.6
385.20041	20.3
386.20383	1.0
403.21149	5.2
438.21710	0.7
441.82596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.6
57.07061	6.1
67.05504	14.3
69.07057	9.5
69.68626	6.4
79.05492	19.6
81.07054	39.7
83.04986	23.9
89.06005	14.8
91.05488	28.2
93.07047	43.7
95.04964	8.1
95.08604	34.4
97.80164	5.9
105.07021	66.3
107.08596	33.0
109.06518	10.9
109.10173	26.2
109.39382	5.9
117.07044	10.0
119.08584	54.7
121.06483	10.8
121.10160	22.5
131.08574	27.6
133.08560	6.0
133.10147	52.6
135.11679	7.3
143.08563	14.7
144.09326	9.8
144.65446	7.9
145.10159	15.6
147.11688	36.0
149.13249	15.3
155.39149	6.6
157.10246	10.4
159.11688	100.0
161.13268	29.9
173.13278	13.9
173.31950	6.6
177.12747	41.5
189.16406	11.1
199.14809	17.9
203.17879	35.8
217.15823	41.5
325.56302	7.7
371.09879	6.2
434.99045	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.9
57.07071	12.1
61.97703	4.5
64.74973	4.3
67.05495	5.9
70.83916	6.6
71.08642	8.0
79.05470	8.9
81.07053	11.3
83.04977	12.1
89.06026	100.0
91.05479	11.2
91.25160	5.2
93.07063	8.2
95.08602	30.8
97.96152	4.7
101.05971	7.1
105.07025	42.5
107.08604	16.4
109.10147	17.7
119.08574	43.5
121.10117	7.7
133.08592	52.2
133.10110	25.6
147.11667	85.0
161.13263	13.5
203.17932	76.8
239.14854	60.4
308.96405	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	438.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.4
57.07073	79.0
66.50841	2.3
69.01324	1.9
69.07059	4.8
69.32178	3.9
69.32584	7.4
71.08624	62.8
83.08636	3.3
85.10172	42.1
89.06020	100.0
97.10169	2.3
98.23487	4.0
99.11733	6.6
100.28146	2.0
107.07046	2.1
107.90903	2.0
110.66707	2.2
111.11703	2.9
113.13293	4.7
127.14791	3.2
133.08588	63.5
133.09566	3.9
151.09685	3.4
177.11209	13.5
195.12260	3.2
216.90202	2.3
221.13808	3.0
239.14848	51.1
239.17122	4.1
259.78442	2.0
271.26260	3.3
271.92184	1.9
377.32361	2.2
421.35150	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48755	0.5
56.96550	3.7
57.93713	0.4
69.76026	1.6
96.94359	0.4
98.23370	1.1
98.97580	5.3
110.97585	0.6
112.87632	0.4
115.67792	0.4
116.98602	3.1
119.23759	0.4
134.99617	0.7
138.02316	0.7
142.01727	0.8
156.03314	21.7
168.03299	7.6
174.04372	18.4
186.04370	19.3
186.78581	0.5
187.04640	0.5
191.82419	0.5
192.05415	2.0
192.39818	0.5
198.49809	0.5
204.05440	7.2
214.95467	0.8
216.05374	0.6
219.01733	1.1
222.06671	0.6
224.00681	0.5
226.02330	1.4
232.96541	0.7
237.02713	1.4
238.02371	0.6
242.01845	1.3
244.03423	2.8
256.03372	3.0
256.96588	0.6
260.03027	1.4
261.02997	0.5
262.04517	1.0
268.03336	2.9
272.02856	0.8
274.04456	1.4
274.97409	5.1
284.02866	1.0
286.04477	3.3
292.98608	1.6
298.04401	2.8
310.04510	9.2
316.05396	2.5
323.07690	0.5
328.05499	14.5
329.05646	1.5
335.07742	0.9
337.09235	1.7
341.08649	0.8
347.07513	1.1
349.09167	1.8
353.08661	2.4
355.10263	4.3
367.10236	35.9
368.10254	2.3
368.30731	0.5
379.10236	100.0
380.10422	8.1
397.11304	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	439.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01862	5.0
55.05500	3.7
57.07066	5.1
58.06571	1.1
65.03921	4.3
67.05498	7.7
69.03439	0.9
69.07065	5.6
69.27493	4.2
70.06586	13.3
71.06924	1.4
77.03921	1.2
79.05485	16.4
80.30070	0.9
81.03424	1.9
81.07047	10.5
83.04986	2.8
83.08611	0.9
84.08110	1.0
88.07623	14.2
89.03905	5.6
89.07964	1.1
91.05469	5.7
93.03389	1.6
93.07037	3.7
95.04966	9.4
95.08598	3.5
97.06516	1.1
102.09175	10.5
103.09483	0.8
105.03397	1.1
105.04510	1.9
105.07034	4.3
107.04943	5.0
107.08586	3.3
109.10144	3.5
111.04408	5.4
111.08079	0.7
115.05438	1.1
117.03378	7.1
117.07014	1.3
119.04911	1.6
119.08579	3.6
120.97135	0.7
121.02859	1.2
121.06516	1.0
121.10133	2.3
123.04424	3.5
123.11700	1.2
125.15024	0.8
128.06190	1.5
129.06976	2.2
131.04942	2.1
131.08545	1.5
132.05678	1.4
133.02814	2.0
133.06468	1.5
133.10144	2.3
134.03600	1.8
135.04402	16.3
135.08080	1.3
139.03871	6.7
141.06943	1.4
143.08556	1.9
145.02812	7.1
145.06482	1.5
145.10097	2.0
147.04391	1.6
147.11635	1.6
149.02344	41.9
149.03462	5.0
149.13229	1.5
150.02687	8.7
150.03839	1.2
151.03914	1.5
153.06944	1.1
157.06520	1.2
157.10098	1.8
159.08070	1.0
159.11638	1.0
160.05194	9.1
161.05977	10.5
161.09616	1.1
161.13220	1.4
162.06392	1.0
163.03888	100.0
164.04234	2.9
167.08563	2.0
171.07983	1.5
173.05949	4.2
173.13231	1.7
177.05490	1.7
179.03406	3.1
181.04919	3.8
181.06375	0.9
184.05167	1.2
185.05913	1.2
185.09607	2.0
187.07623	0.9
187.14818	1.1
189.05444	69.3
190.05882	2.5
191.03377	8.2
191.14206	1.3
193.04947	36.3
194.05257	12.0
195.07994	1.5
197.09612	0.9
199.07497	1.7
202.06221	2.7
202.09831	1.8
203.07043	1.7
203.10585	1.0
203.14406	1.0
204.04149	1.5
209.04349	0.8
213.09103	6.4
215.10577	1.2
217.04959	29.0
217.08488	14.2
227.17847	1.0
228.23215	30.1
229.23535	14.3
231.10139	77.8
232.10434	2.9
235.06013	1.7
237.07556	39.1
238.07881	15.1
241.08540	1.7
259.07355	0.8
259.09628	21.7
277.10690	2.8
393.31454	1.1
438.28467	25.3
439.13846	28.5
439.28729	37.4
440.13925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
54.21701	0.6
55.01861	4.5
55.05489	3.0
60.79995	0.6
65.03916	1.7
67.05499	3.6
69.07050	2.5
77.03952	0.7
79.05045	1.0
79.05486	13.9
80.06244	0.6
81.03413	0.9
81.07051	7.9
83.04976	0.9
83.57967	0.7
89.03899	6.8
91.05473	3.5
93.03394	1.1
93.07035	1.3
95.04952	7.0
95.08585	1.3
97.06513	1.8
99.77753	0.7
101.45048	0.6
103.05440	0.6
104.06236	1.0
105.03410	1.0
105.04513	1.7
105.07009	2.0
107.04975	4.7
107.08581	0.8
109.10124	1.6
110.82478	0.5
111.04442	3.1
115.05450	1.4
117.03358	6.7
119.04966	0.8
119.08540	1.1
121.10153	0.7
123.04430	3.0
128.06224	2.3
129.06956	1.4
130.68875	0.6
131.04893	2.3
131.08565	0.8
133.02884	2.3
133.06532	1.0
134.03590	1.3
135.04401	15.3
139.03873	5.2
141.06989	1.2
143.04854	0.9
143.08525	2.0
145.02829	7.6
145.06483	1.1
147.04385	2.8
151.03889	1.7
153.06995	0.9
157.06477	0.8
157.10164	0.8
159.08115	1.0
159.11745	1.0
160.05200	8.4
161.05957	11.3
161.09586	0.9
163.03885	100.0
164.04219	2.5
167.08549	1.9
169.06529	0.8
169.09999	0.9
171.08038	2.1
173.05937	4.1
175.03868	1.0
177.05446	1.7
179.03365	3.6
181.04971	3.1
184.05232	1.4
185.09595	2.2
189.05444	64.5
189.09111	1.8
190.05775	2.1
191.03346	6.7
195.08064	1.7
199.07478	2.2
201.05495	0.7
202.06206	1.0
202.09843	2.3
203.06966	1.7
203.10672	1.0
204.04124	1.2
205.04875	0.8
209.04417	0.9
213.09117	5.2
217.04958	22.7
217.08504	14.3
218.05411	1.2
229.08601	0.7
231.10138	73.1
232.10432	3.5
235.06056	1.0
241.08675	2.3
259.09622	20.8
277.10721	1.4
299.51981	0.6
300.04755	0.6
371.07639	1.2
439.13828	30.0
440.14163	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01850	3.9
55.05500	2.8
63.02380	0.5
65.03922	1.2
67.05496	3.1
69.07040	2.4
71.32235	0.6
71.39841	0.6
73.92286	0.6
75.56554	0.5
77.03920	1.3
79.05052	0.8
79.05483	13.6
80.06238	0.6
81.03387	0.7
81.07041	7.4
83.04977	1.2
88.92760	0.5
89.03909	5.4
91.05459	2.6
93.03378	1.7
93.06995	0.7
94.54531	0.5
95.04956	6.8
95.08595	0.9
97.06544	1.2
102.01974	0.5
103.05509	0.7
104.06237	1.4
105.04477	1.7
105.06990	1.5
107.04935	3.7
107.08568	1.1
109.02934	0.5
111.04430	3.7
115.05445	1.0
117.03366	6.0
117.07004	0.8
119.04906	1.5
121.06451	0.8
123.04414	2.5
127.39581	0.5
128.06161	1.2
129.06973	1.2
131.04900	1.9
131.08478	0.7
132.05664	1.3
133.02835	2.1
133.06450	1.4
133.10107	0.6
134.03613	1.9
135.04404	14.7
135.07941	0.6
137.05942	0.6
139.03880	7.4
142.07785	1.0
143.08488	1.3
145.02824	8.5
145.06442	1.7
147.04372	2.0
147.08017	0.8
149.05896	0.6
151.03900	1.1
152.06194	1.1
153.06918	0.8
157.06480	1.4
157.10133	1.0
160.05171	10.5
161.05949	10.7
161.09598	0.8
162.06326	0.6
163.03882	100.0
164.04228	2.5
167.08562	1.8
169.06491	0.9
171.04448	0.8
171.08032	1.1
173.05919	4.3
175.03918	0.7
177.05415	1.0
179.03346	3.5
181.04898	2.7
181.06462	1.3
184.05205	0.9
185.05956	0.7
185.09598	2.4
187.03807	0.9
189.05437	58.2
189.08963	1.3
190.05791	1.8
191.03366	5.3
195.08028	1.5
199.07500	1.8
201.05521	0.8
202.06305	1.5
202.09897	2.2
203.07054	1.6
203.10648	1.5
204.04169	1.2
213.09036	4.9
217.04939	25.6
217.08482	11.9
218.05531	0.7
230.05672	0.8
231.10132	82.9
232.10408	2.8
235.06041	1.1
241.08644	1.8
259.09631	20.7
260.10007	0.9
277.10681	2.0
397.09045	0.6
429.35663	0.7
439.13843	33.7
439.32111	1.1
440.13986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05510	3.3
63.02358	0.8
67.05492	0.9
69.03420	0.5
69.07062	0.5
72.51257	0.4
79.05495	1.9
80.15436	0.4
81.03385	0.4
81.07038	0.8
83.04969	4.9
85.06559	0.4
89.03905	8.6
91.05460	2.1
93.07019	0.4
95.04946	1.3
95.08608	0.6
98.22606	0.7
103.05468	0.6
105.04504	0.4
105.07052	2.2
105.07641	0.5
107.04939	5.1
107.08555	0.5
109.02879	0.4
109.10158	0.5
115.05450	1.5
117.03365	8.8
117.04195	0.5
117.06998	1.0
119.04908	0.7
119.08546	0.4
120.08083	0.7
120.74577	0.4
121.06462	0.5
121.10107	0.5
127.03934	0.4
128.06236	1.6
129.07010	2.5
131.04901	1.9
131.08525	0.5
132.05725	0.8
133.06480	2.5
133.10109	1.2
135.04399	17.1
136.04732	0.6
141.06955	1.8
142.07753	3.3
143.08513	1.3
144.05649	0.6
145.02844	11.5
145.06462	2.1
146.03169	0.4
146.07257	1.5
147.04352	2.1
152.06195	0.6
153.06985	1.0
154.07779	1.0
155.08453	0.5
157.06505	2.2
157.10130	3.2
158.07199	0.5
159.04451	1.0
159.08057	1.4
161.05937	1.3
161.09604	5.5
163.03888	100.0
164.04225	2.7
165.06941	0.7
167.08562	1.8
169.06438	0.5
170.07231	2.4
171.04393	1.6
171.08069	1.1
173.05975	1.0
173.46001	0.4
175.03886	1.4
175.08670	0.6
177.05537	0.6
181.06456	0.7
183.08029	0.6
184.05199	1.4
185.05975	2.4
185.09587	5.0
187.03893	1.1
187.11110	0.5
189.05408	1.3
189.09111	4.1
195.08043	1.8
197.05977	0.9
197.09557	0.7
198.06715	1.1
199.03874	0.9
199.07434	0.8
213.05617	0.5
213.09094	7.3
214.09590	0.5
215.10652	1.3
217.05118	4.1
217.08569	15.8
218.08923	0.9
226.06082	1.0
231.10100	1.5
241.08583	12.8
242.08971	0.5
259.09625	17.6
260.09924	0.5
397.09070	1.4
439.13583	0.5
439.22794	0.8
439.32025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1417
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
56.90786	0.3
62.74658	0.4
72.79333	0.3
76.00476	0.3
80.79960	0.3
83.05310	0.3
84.32063	0.3
96.92222	4.5
98.23605	0.3
99.69469	0.3
102.93751	0.3
185.04298	0.4
203.05341	0.6
234.78844	0.4
273.09094	0.3
277.08920	29.3
278.09311	0.9
316.03513	0.4
348.69882	0.4
365.10599	1.5
381.07831	0.7
439.14188	100.0
440.14539	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	439.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14842	0.5
52.65841	0.4
57.02000	0.4
60.61922	0.4
65.53704	0.5
66.25941	0.4
69.03411	0.9
69.46062	1.8
70.06599	0.7
81.03429	0.8
82.03945	0.5
83.01104	0.7
84.01852	1.0
85.02924	0.9
86.09683	0.6
95.01089	2.4
96.01871	0.8
98.06041	1.0
102.44894	0.4
110.07151	0.7
112.01305	1.1
113.02122	3.2
117.03276	0.5
125.11193	0.5
127.03944	0.5
131.04912	0.4
147.04384	0.7
157.04648	0.7
163.03885	1.1
185.04204	4.2
185.05719	0.6
191.14357	2.4
201.03691	0.8
202.05972	3.5
203.05139	0.9
243.08595	1.0
259.07938	0.7
260.05255	0.9
277.10522	0.5
289.05090	0.5
421.10864	1.0
439.16135	100.0
440.16605	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64425	0.3
66.72111	0.3
83.01125	0.6
84.01868	0.7
85.02908	0.4
87.44202	0.3
95.01083	2.1
96.01864	1.0
96.47075	0.3
98.06081	0.7
110.06092	0.5
112.01342	0.6
113.02125	2.5
126.02896	0.6
152.30890	0.4
157.04750	0.5
177.43698	0.3
185.04208	2.9
191.14268	0.5
201.03722	1.0
202.06000	3.7
203.05266	0.4
211.53943	0.3
240.77267	0.4
243.08636	0.7
259.08163	0.8
275.29819	0.3
277.10504	0.4
418.76932	0.3
421.10107	0.4
439.15887	100.0
440.11578	0.5
440.16339	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	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
55.05506	2.1
57.07069	0.9
61.02940	0.9
62.39552	0.8
67.05519	4.3
69.03418	6.8
69.07056	2.6
69.85751	2.4
69.86105	1.9
78.03465	0.9
79.05488	6.4
81.03410	2.4
81.07042	6.0
83.04983	3.7
83.08602	1.0
85.02885	3.6
91.05480	8.6
93.06525	0.8
93.07009	5.3
95.04968	5.1
95.08602	2.1
97.02862	1.7
97.06554	1.0
99.04443	1.4
100.11272	0.9
103.05458	1.2
105.07024	9.9
106.02913	4.5
106.91759	1.0
107.03300	1.1
107.04924	4.5
107.08583	19.3
109.02890	2.7
109.06501	2.4
109.10143	8.1
111.04413	1.4
115.05463	2.6
117.07016	1.9
119.08535	4.8
121.06506	3.1
121.10110	12.5
122.07261	6.5
123.08025	0.9
124.03928	7.1
125.04279	2.1
127.03885	4.2
129.06990	1.6
131.08589	2.9
133.10114	100.0
134.10442	4.6
135.08047	7.3
135.11673	2.8
137.05957	1.2
137.09602	52.6
143.08481	1.1
145.10092	2.1
147.11705	2.8
149.09570	5.6
149.13219	9.5
158.10907	1.6
159.11653	1.0
163.14824	1.2
173.13222	6.3
187.11215	1.2
189.12759	2.0
191.14291	39.9
192.14647	1.4
203.14304	1.1
250.07079	2.2
251.07407	2.2
268.08167	3.2
269.08527	2.7
273.40778	0.9
343.17514	0.9
421.18677	1.3
426.97632	1.0
439.14157	1.5
439.22641	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	439.2302
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
69.10164	2.2
76.85626	0.3
95.01094	0.6
96.01886	0.5
97.02662	0.6
111.76345	0.3
114.02949	0.3
128.04433	0.5
141.05247	0.5
158.05476	0.3
163.03935	0.8
168.03876	0.4
169.04761	0.8
185.04150	0.4
186.04979	0.8
203.05231	3.9
218.28415	0.3
244.68457	0.3
259.16650	2.7
260.17426	0.3
277.17755	2.2
281.50650	0.3
292.83463	0.3
326.78937	0.3
327.70389	0.3
358.05362	0.3
369.18823	6.6
370.19424	0.4
414.40955	0.3
439.23022	100.0
440.23422	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	439.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10164	2.2
76.85626	0.3
95.01094	0.6
96.01886	0.5
97.02662	0.6
111.76345	0.3
114.02949	0.3
128.04433	0.5
141.05247	0.5
158.05476	0.3
163.03935	0.8
168.03876	0.4
169.04761	0.8
185.04150	0.4
186.04979	0.8
203.05231	3.9
218.28415	0.3
244.68457	0.3
259.16650	2.7
260.17426	0.3
277.17755	2.2
281.50650	0.3
292.83463	0.3
326.78937	0.3
327.70389	0.3
358.05362	0.3
369.18823	6.6
370.19424	0.4
414.40955	0.3
439.23022	100.0
440.23422	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	439.2843
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
55.01873	0.4
55.05507	1.9
55.82034	0.4
61.13707	0.4
63.59303	0.4
67.05505	2.7
67.91884	0.4
69.03426	27.6
69.07048	2.1
69.87895	0.4
69.88229	1.2
77.03931	0.5
79.05486	3.5
81.07047	5.1
83.04973	0.7
85.06534	4.1
85.21754	0.4
87.97832	0.4
91.05485	3.2
93.07037	4.9
95.04956	1.3
95.08599	4.3
95.83350	0.4
97.06518	1.2
105.07018	16.9
107.04963	0.5
107.08583	11.1
108.08913	0.6
109.06521	2.2
109.10154	1.7
111.08036	1.0
115.05451	0.5
117.07001	2.0
119.04933	0.5
119.08562	14.2
120.08916	0.4
121.06483	3.9
121.10149	4.2
123.08070	1.2
123.11666	1.3
125.09654	0.5
128.06210	1.1
129.07008	2.5
130.07755	0.7
131.08560	4.8
133.06483	16.9
133.07492	1.1
133.10123	7.3
135.08031	9.7
135.11679	1.5
137.09651	0.5
139.07544	0.5
141.54099	0.4
142.07802	0.6
143.08554	4.7
144.09322	0.8
145.06494	0.6
145.10110	8.7
147.08032	3.9
147.11676	21.8
148.11986	0.6
149.09631	3.0
149.13268	1.1
155.08565	1.4
156.09361	1.8
157.10135	3.5
159.08090	1.7
159.11688	6.9
160.08788	1.0
161.09608	3.1
161.13240	19.6
162.13574	0.4
163.07555	0.7
163.11189	1.1
169.10144	1.6
171.11674	7.9
173.09621	3.5
173.13202	2.6
174.10332	0.9
175.11160	6.0
177.09229	0.5
177.12737	0.9
178.85056	0.5
181.10117	0.9
183.11691	2.9
185.09615	1.2
185.13263	1.6
187.11154	4.0
187.14816	0.8
189.09145	0.7
189.12726	17.2
190.13069	0.9
191.14281	3.9
193.10184	0.8
195.11717	1.6
197.13245	1.8
199.11143	2.8
199.14877	1.7
201.12738	2.1
207.11696	1.4
209.13263	1.1
213.12733	0.9
215.14311	3.5
217.12219	27.5
218.12582	0.6
219.13855	1.9
221.13255	1.8
221.15282	0.9
222.13939	0.6
223.14803	0.6
225.12711	0.7
227.14499	0.7
227.17889	0.7
229.15938	1.9
235.14944	2.1
237.16415	0.9
239.14615	0.6
239.17944	1.1
249.16484	0.8
251.17957	1.0
253.15787	0.7
257.18924	2.2
265.16150	0.5
265.19415	0.6
269.19043	1.0
277.19492	8.4
283.20572	1.2
285.18677	0.5
287.17841	0.6
291.21075	0.7
293.22714	1.0
295.20523	12.9
301.19498	0.7
309.22055	0.7
311.23840	0.9
337.21576	1.6
343.24225	2.0
355.22656	4.8
361.25180	7.2
362.25647	0.6
379.26282	29.0
380.26608	3.1
403.26376	0.6
407.25946	0.9
421.27344	6.7
439.28406	100.0
440.28677	8.0
462.82608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42699	2.3
52.80576	2.2
55.05502	11.7
57.22198	2.5
67.05480	7.7
69.07069	12.7
69.28434	11.3
79.05484	7.2
81.07058	17.7
83.04978	9.6
83.08603	2.9
86.15394	2.0
91.05460	11.6
93.07024	16.1
95.04938	2.4
95.08595	28.8
98.22688	5.2
101.05992	12.5
105.07018	31.6
107.08582	22.7
109.10143	23.0
109.30180	2.1
119.07029	3.3
119.08575	29.1
121.10111	12.9
123.11668	9.0
133.10101	22.0
135.11649	4.8
145.10057	4.5
147.11665	68.5
148.12061	4.3
158.17097	2.2
159.11690	2.5
161.13223	13.6
163.14835	5.5
175.14731	3.1
203.17921	100.0
204.18282	5.0
212.36562	2.6
214.92258	2.2
221.19025	8.9
257.76059	2.6
274.34872	2.0
321.24237	11.0
359.24167	2.4
439.35620	7.1
460.16702	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	439.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.2
57.07080	3.1
67.05494	8.7
69.07052	9.4
71.05007	2.0
73.06519	2.0
79.05484	6.0
81.07043	23.9
83.04977	7.8
83.08622	1.9
86.31554	1.7
91.05476	12.3
93.07028	13.7
95.08601	33.3
97.10111	1.9
98.22621	4.4
101.06007	13.5
103.42371	1.7
105.07021	38.8
107.08582	26.1
109.10148	18.5
119.08566	31.4
121.10138	12.3
123.11678	10.0
131.08586	2.8
133.10115	25.3
135.11684	6.2
137.13367	2.2
145.10098	4.5
147.11662	69.5
159.11676	3.9
161.13251	17.9
163.14848	7.5
173.13248	2.5
175.14851	2.7
181.20067	1.8
187.14931	2.0
201.16437	2.4
203.17932	100.0
204.18231	4.7
206.85204	1.9
221.19031	8.8
285.11032	1.9
321.24225	10.8
439.35468	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25808	0.7
57.07065	2.0
57.81624	0.7
59.29404	0.6
63.61715	0.6
67.05491	0.9
69.07066	1.6
69.50406	0.8
69.50708	3.6
71.08617	2.1
81.07036	1.9
85.10201	0.9
89.06031	7.7
90.06381	1.1
93.07019	1.7
95.08587	1.8
98.23501	0.7
105.07012	1.2
107.08548	1.7
109.10139	2.0
117.43983	0.7
119.08576	1.1
121.10125	1.2
133.08566	3.7
133.10100	1.0
134.08940	2.1
145.10083	0.8
147.11696	0.9
159.11652	1.1
161.13263	0.8
185.55923	0.8
203.18007	1.3
204.62292	0.7
213.16412	0.8
239.14905	3.2
240.15236	2.4
321.65015	0.7
409.30573	3.9
422.35440	0.8
439.31784	100.0
440.32120	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3206
Annotation	Salacenonal
Peak:m/z	Relative Intensity
54.59216	0.8
55.01865	0.9
55.05507	7.4
57.07061	1.4
59.04985	0.8
62.77434	0.7
65.03950	1.0
67.05503	10.3
69.03410	2.7
69.07068	5.9
71.04990	1.2
79.05492	8.7
81.07054	20.6
83.04982	8.2
83.08613	4.8
85.06527	1.5
89.07981	0.6
91.05473	15.3
91.30519	0.7
93.07043	20.0
95.04962	4.9
95.08604	33.2
96.08965	0.8
97.06534	1.5
97.10159	1.1
98.22593	1.3
99.08089	3.1
103.05465	1.7
105.07030	28.5
107.04945	1.9
107.08591	34.8
108.08943	0.8
109.06509	5.1
109.10144	20.3
111.08080	5.1
115.05461	1.2
117.07009	4.0
119.07739	1.6
119.08581	29.2
121.06512	8.9
121.10143	23.6
121.10854	0.4
123.04407	0.9
123.08038	3.9
123.11710	6.1
125.09589	4.5
128.06256	1.3
129.07030	2.4
130.07765	0.8
131.08569	12.4
133.06497	2.8
133.10124	22.6
134.10545	1.0
135.08054	48.1
135.11702	6.8
136.08391	1.4
137.09598	4.6
137.13266	1.0
139.11247	0.9
141.06972	1.2
142.07750	1.8
143.08543	7.1
144.09320	1.7
145.06534	0.9
145.10126	20.2
147.08041	8.1
147.09154	1.0
147.11673	12.0
149.05969	3.3
149.09607	8.9
149.13258	4.7
151.07587	1.0
151.11150	4.5
153.09152	1.7
155.08556	2.1
156.09352	2.6
157.10124	11.8
158.10887	1.7
159.08040	5.4
159.11687	17.3
159.12946	1.3
161.09616	11.2
161.13251	8.1
161.25609	0.7
163.07556	0.9
163.11263	1.7
163.14839	2.6
165.12804	1.3
167.08560	0.9
168.09340	1.0
169.10123	4.2
170.10907	1.6
171.08130	1.6
171.11688	8.3
172.08836	0.8
172.12363	1.2
173.09616	5.4
173.13248	15.3
174.10367	0.9
175.11163	5.9
175.14847	8.2
176.15158	0.9
177.12776	2.6
177.16347	3.5
181.10194	1.1
182.10899	0.8
183.11632	3.8
184.12338	1.1
185.09627	1.9
185.13240	7.1
186.10403	1.3
187.11185	3.8
187.14813	10.0
189.12752	4.8
189.16370	5.0
191.14265	4.5
193.12241	8.5
195.11639	1.6
196.12637	0.7
197.09462	1.0
197.13310	3.7
199.11189	3.6
199.14842	7.6
201.12764	14.1
201.14679	1.3
201.16356	5.3
203.14307	35.1
203.17970	2.2
204.14697	1.9
205.15852	4.7
207.11862	0.9
207.13840	1.2
209.13281	2.4
211.11229	1.0
211.14793	2.3
213.12761	2.2
213.16336	4.8
215.14383	4.0
215.17911	2.8
217.15878	9.0
219.13785	29.2
219.17441	2.5
220.14247	1.4
221.13300	1.2
221.15379	1.2
223.14815	1.3
225.12610	0.8
225.16298	2.1
227.14374	1.5
227.17947	1.6
229.15842	4.3
231.17474	4.1
233.15349	1.6
235.14729	1.2
237.16335	0.8
239.14177	1.0
241.15964	1.0
241.19403	0.7
243.17448	3.6
249.16412	0.8
251.17903	1.3
253.15869	1.1
253.19261	1.2
255.01559	1.1
255.17548	2.1
265.19440	1.6
267.17615	0.9
267.21042	1.0
269.19037	2.2
271.20438	1.1
281.19141	0.9
283.20566	1.9
297.22119	1.7
321.22116	1.3
327.23196	1.3
333.22128	1.2
339.23248	0.9
349.25360	1.3
351.22928	3.9
379.30139	1.0
385.28665	0.9
391.30139	1.0
393.31485	3.2
397.31012	3.0
403.29941	6.0
409.30991	1.8
421.30991	32.6
422.31332	4.1
434.69171	0.8
439.32053	100.0
440.32419	9.5
440.38693	0.8
440.40945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3205
Annotation	Salacenonal
Peak:m/z	Relative Intensity
55.05500	10.7
57.07069	3.2
67.05491	22.7
69.07056	14.2
71.43297	2.9
79.05482	18.1
81.07055	42.5
83.04985	13.5
83.08603	5.4
91.05470	25.4
93.07036	32.8
95.04971	8.6
95.08595	51.4
97.06496	3.6
97.10151	2.7
98.13034	2.3
105.04520	2.6
105.07013	49.0
107.08584	86.8
109.06512	7.6
109.10155	43.1
111.08086	6.4
117.07030	5.7
119.08578	49.2
121.06484	4.8
121.10137	44.4
121.55270	2.5
123.08082	7.2
123.11690	16.9
125.09634	7.8
131.08563	20.1
133.06447	2.7
133.10114	49.2
135.08054	22.7
135.11703	15.1
137.09666	5.3
142.07761	4.9
143.08556	9.4
145.10104	36.5
147.08041	9.5
147.11674	20.3
149.02357	3.1
149.05992	6.7
149.09621	8.0
149.13277	8.6
151.11186	7.8
153.09093	11.4
157.10088	14.4
159.08080	5.8
159.11699	24.2
161.09663	10.1
161.13251	15.7
163.14868	4.7
169.10141	3.2
171.11714	9.4
173.09631	4.9
173.13264	26.1
175.11200	7.4
175.14815	17.1
177.12782	4.0
177.16417	8.0
183.11714	6.7
185.09630	3.8
185.13248	12.3
187.11165	4.1
187.14828	23.6
189.12723	7.2
189.16362	17.1
191.14322	7.9
193.04973	4.7
193.12201	15.6
194.05284	2.7
195.11761	2.3
197.13257	4.2
199.11075	3.0
199.14832	10.8
200.15187	2.3
201.12767	8.1
201.16382	10.8
203.14305	41.7
203.18130	3.7
205.15900	17.6
211.14844	3.3
213.16406	6.9
215.14365	3.7
215.17934	3.5
217.15866	15.2
219.11865	5.1
219.13802	47.3
219.17519	7.0
221.15361	4.9
225.16307	3.3
226.16934	2.9
227.14296	3.0
229.15872	9.8
229.19482	4.1
231.17479	7.6
233.15384	6.8
239.17664	3.1
247.17000	4.5
255.21155	2.3
257.18970	3.5
269.19009	4.7
271.20673	5.6
283.20444	5.0
293.22665	2.6
351.23425	4.4
393.31583	12.6
397.31131	3.6
403.30115	11.3
403.72626	2.9
409.30942	5.5
421.30960	49.5
422.31387	4.2
439.32056	100.0
440.32297	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	439.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.05494	6.7
67.05492	11.8
69.07062	5.7
73.07613	1.8
79.05482	10.2
81.07050	15.7
82.07336	2.0
83.04991	6.9
83.08598	2.8
84.43010	2.5
91.05449	11.8
93.07022	16.7
95.04976	4.1
95.08597	21.9
98.22717	6.3
105.07027	23.0
107.08582	26.6
109.06522	4.3
109.10147	18.7
111.08099	2.9
117.07034	2.2
119.08562	27.0
121.06507	6.7
121.10133	16.4
123.08087	3.6
123.09694	1.7
123.11704	5.6
125.09580	2.7
129.07008	2.8
131.08563	12.8
133.06551	2.1
133.10123	20.9
135.08041	29.9
135.11690	7.8
137.09637	3.0
137.13318	2.7
142.07741	2.8
143.08559	7.1
145.10103	15.5
147.08037	5.7
147.11702	11.4
149.09637	4.6
149.13274	2.7
151.11223	2.0
155.08527	3.2
156.09334	3.2
157.10120	11.9
159.08096	4.8
159.11707	15.0
161.09639	8.0
161.13246	6.1
163.14900	3.7
169.10130	4.5
171.11743	8.9
173.09676	2.4
173.13202	12.2
175.11249	4.4
175.14812	10.7
177.16429	2.5
181.10144	2.6
183.11725	7.1
185.13315	5.8
187.11191	2.4
187.14839	7.9
189.12756	4.9
189.16432	4.6
191.14363	3.0
193.10179	2.1
193.12241	3.7
195.11691	2.3
196.17012	2.7
197.13248	3.8
199.14732	2.6
201.12794	5.3
201.16432	4.5
203.14301	19.9
205.15848	3.6
209.13162	3.8
213.16406	5.0
215.14369	4.6
215.18059	3.5
217.15889	7.0
219.13826	17.7
223.64420	2.0
225.16321	2.7
229.15852	3.1
237.16383	2.9
241.19557	2.7
243.17381	2.4
253.19386	4.3
255.21100	2.7
257.19070	2.6
283.20554	2.4
333.21979	2.6
393.31326	2.7
403.30081	5.8
421.31009	30.4
422.31342	3.3
439.32120	100.0
440.32535	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.7
57.07065	4.0
67.05494	12.4
69.06764	1.2
69.07064	14.2
69.20592	6.7
69.71484	0.9
79.05482	7.7
81.07049	23.3
83.08611	6.6
84.07734	0.9
85.10179	1.1
87.42087	1.0
89.06014	3.3
91.05463	11.1
93.07031	20.4
95.08592	42.9
97.10136	3.8
105.07009	24.2
105.10828	1.0
107.08583	36.8
109.06472	1.0
109.10146	28.0
110.10455	1.3
111.08108	1.1
113.92507	1.1
119.08564	40.6
119.91608	1.1
121.10136	29.8
123.11685	8.4
131.08554	3.1
133.10112	33.7
135.11670	17.9
137.13203	2.7
139.07497	1.6
145.10118	4.0
147.11665	35.7
148.11955	1.2
149.13268	11.1
153.09062	6.2
159.11670	5.0
161.13257	17.2
162.13574	1.1
163.14822	11.3
167.10638	4.2
173.13232	1.8
175.11368	1.1
175.14806	10.6
177.16393	7.7
187.14819	3.0
189.14655	1.7
189.16359	35.6
191.17920	81.2
192.18272	2.9
193.12285	1.6
199.14914	1.1
201.16301	6.4
203.17923	100.0
204.18259	4.0
205.19490	12.2
207.13795	2.2
207.17412	2.1
215.17984	2.1
217.19516	13.9
221.18985	6.7
229.19516	3.3
231.17436	2.5
231.21017	4.6
235.17000	5.1
239.14958	1.6
240.15170	2.0
245.22691	1.6
247.16925	2.8
249.15933	1.6
249.18483	26.3
250.18810	1.6
261.18396	1.6
393.35120	6.1
439.35681	25.0
440.35809	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03417	0.9
56.96564	10.4
67.47190	1.0
68.62019	0.8
69.45302	0.9
71.42748	1.0
73.26902	0.9
74.65858	1.0
98.97575	74.7
110.97570	3.5
116.98614	44.5
119.23137	1.0
121.04238	1.1
128.98602	3.8
130.93195	1.1
134.99664	14.7
140.00124	1.1
143.00168	3.5
146.99651	2.1
149.19962	1.0
155.44678	1.0
156.03345	1.1
158.99693	2.9
161.01212	3.0
170.99658	1.8
172.94330	3.0
174.04449	1.1
174.97722	1.0
177.00749	3.5
177.05486	1.0
186.04381	1.2
189.00824	2.3
190.95435	3.5
192.98759	2.2
201.00731	5.0
214.95479	2.9
216.98668	2.4
219.01680	6.8
232.96577	7.5
234.99889	1.6
237.02797	11.3
243.01738	2.0
249.94160	1.4
250.97644	3.7
255.03912	5.4
256.96463	14.3
258.99783	3.6
261.02896	10.1
273.02890	1.3
274.97495	100.0
275.97800	2.4
276.97833	1.0
277.00824	4.5
278.00836	1.3
279.03815	7.0
291.03986	2.1
292.98553	48.3
293.98965	1.4
298.97733	7.7
301.01068	1.5
310.04526	1.2
314.95392	1.7
316.98837	9.5
321.04916	2.8
328.05380	1.2
332.96423	1.9
333.04800	1.3
380.07352	1.9
383.51328	1.2
398.08176	1.5
398.97668	5.7
399.07230	1.9
416.98776	11.4
434.99625	2.2
440.98972	6.5
441.08951	3.6
446.38681	1.1
458.99927	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	440.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48536	10.9
55.05493	13.8
57.48069	10.9
67.05492	17.6
69.14896	72.7
70.85116	10.9
79.05499	19.3
81.07049	50.7
83.04935	18.3
89.31622	9.8
91.05463	41.8
93.07027	36.3
95.04994	13.3
95.08601	50.8
105.07001	75.8
107.08585	45.3
109.06525	14.0
109.10194	14.1
117.07000	18.8
119.08565	70.2
121.10137	25.9
131.08578	36.8
133.10115	42.1
143.08577	14.9
145.10143	12.1
147.11673	29.7
149.13173	24.8
157.10124	15.0
159.11653	100.0
161.13240	51.7
173.13214	14.9
177.12724	82.7
189.16318	20.6
189.31918	11.7
199.14861	23.9
217.15762	22.9
225.07413	13.5
225.09645	11.9
260.16885	12.0
412.90997	15.3
418.35068	13.6
430.69592	11.8
439.40308	12.6
440.36172	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	440.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.8
57.07056	10.3
58.53905	2.9
67.05501	17.0
69.07059	15.1
69.62478	3.8
69.62853	4.7
72.04501	3.8
79.05481	13.2
80.19479	2.3
81.07054	32.8
83.04977	8.5
83.08601	4.9
91.05467	18.7
93.07038	20.8
95.08594	52.9
97.10137	4.0
105.06356	4.0
105.07024	61.0
106.07380	4.6
106.30884	2.4
107.08588	34.8
109.10133	31.1
117.06941	3.0
119.08574	53.0
121.10139	18.7
123.11726	11.7
131.08546	3.8
133.10115	32.7
135.11711	12.1
137.13286	4.7
145.10120	9.7
146.50165	2.5
147.11665	100.0
148.11998	2.9
149.13245	7.2
159.11682	7.0
161.13268	23.8
163.14793	5.6
164.91069	2.7
173.13254	5.2
175.10027	2.7
175.14836	4.9
177.16270	3.4
189.16409	3.7
203.17923	85.1
204.18286	5.1
271.23969	2.8
338.30881	2.6
441.37158	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89762	0.9
56.96559	41.6
66.91473	0.9
68.79509	1.0
69.52278	1.3
69.52619	4.0
70.06575	2.2
72.08162	1.5
84.02760	1.0
84.96028	13.4
85.02898	1.3
89.29210	1.0
94.46678	1.0
97.02876	2.3
98.97573	100.0
110.97557	30.3
112.99118	7.4
116.07119	1.5
116.98608	46.2
124.99088	2.6
126.96996	1.6
128.98592	32.5
131.00150	6.7
134.63402	1.0
134.99644	13.3
137.90790	1.0
140.98592	4.8
143.00143	15.6
144.98077	3.1
146.99632	13.7
149.01205	3.3
152.98586	1.5
156.98169	0.9
158.99609	12.6
161.01218	23.3
162.99196	1.8
163.03835	1.6
165.00763	1.3
170.99644	7.8
175.00682	4.0
177.00685	13.7
179.02228	5.0
182.99545	2.3
189.00664	9.3
191.00310	1.3
193.01747	4.7
193.54790	1.0
194.99602	1.9
195.01759	1.9
201.00664	11.3
207.01753	2.2
209.01193	2.9
211.02795	6.6
213.00711	3.2
218.99808	2.7
219.01729	59.4
231.01814	1.0
237.00676	11.1
237.02785	72.8
238.03212	1.4
242.03366	1.4
255.01694	34.1
255.03677	2.7
260.04282	1.4
261.02805	18.3
273.02789	28.6
279.03934	16.3
297.02744	8.6
304.52444	1.0
309.02902	1.4
315.01184	1.5
315.04260	1.5
321.02719	4.7
323.04282	3.7
333.02817	8.6
339.03821	4.1
341.05344	2.0
351.03787	3.2
363.03693	4.6
365.88013	1.0
369.04694	1.5
381.04880	39.4
382.05099	2.3
397.10919	1.6
399.05936	54.2
400.06357	2.5
417.07193	1.5
441.07227	3.6
441.17285	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	441.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	1.2
56.96560	18.2
58.15905	0.7
68.67124	0.8
69.99643	1.5
70.00003	1.7
70.14673	0.8
81.72630	0.8
84.96027	8.6
98.23383	1.4
98.91925	2.0
98.97574	100.0
110.97561	31.9
112.89609	1.6
112.99147	1.9
114.89343	1.1
116.98608	33.7
124.99107	5.6
127.00650	1.8
128.98592	24.4
128.99515	1.8
131.00188	1.9
134.99637	5.9
136.94067	1.1
140.98599	11.7
143.00143	20.2
143.01195	1.6
144.98082	1.5
146.99625	9.4
152.98621	5.5
157.01753	0.8
158.99638	36.9
159.00961	1.9
161.01222	10.2
170.99638	23.0
173.01227	2.5
174.99100	1.2
176.99236	1.6
177.00697	25.6
179.02267	1.0
182.99626	16.4
189.00696	21.6
195.01775	2.5
201.00693	46.6
202.89111	3.9
207.01796	4.1
207.84196	0.8
213.00720	2.1
219.01752	43.5
231.01743	3.5
237.02788	44.8
243.01729	19.9
249.02853	1.2
255.01155	1.3
255.03847	31.6
261.02795	87.9
262.03116	2.1
270.97668	2.2
273.02634	7.8
274.97571	0.9
279.03854	57.0
280.04129	1.6
291.03848	18.2
297.04816	3.2
302.05429	1.2
303.03839	1.7
309.04773	4.8
315.03970	1.7
321.04892	42.3
322.04971	1.3
333.04846	7.4
343.01877	2.0
351.05865	6.3
366.84991	1.0
381.07123	11.4
399.08142	17.7
418.90088	0.9
441.09116	22.1
441.15237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1366
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
56.96547	0.6
59.84261	0.5
62.20355	0.5
64.30643	0.6
68.66333	0.6
69.19621	0.6
70.06574	0.8
70.18398	1.6
71.10345	0.5
83.06776	0.6
83.91817	0.5
89.35629	0.5
98.23406	0.6
98.28158	0.5
103.57934	0.5
328.85898	0.5
397.71548	0.6
441.13602	100.0
442.13943	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	441.1368
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
56.94087	0.8
60.36589	0.8
70.06582	1.4
71.04971	1.3
71.43262	1.0
72.08140	0.9
80.69849	0.8
83.05018	0.7
86.03386	0.9
86.09662	2.5
90.57198	0.9
96.35589	0.8
100.61245	0.7
114.82442	0.8
124.66608	0.9
147.04433	1.4
160.05681	0.8
163.03931	1.2
180.25180	0.8
181.04950	1.1
204.43213	0.9
208.02863	2.8
279.12143	1.5
309.07602	1.9
313.32944	1.2
327.05029	0.9
441.13513	100.0
442.13980	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	441.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17580	51.8
69.17983	20.9
76.32826	11.1
78.21005	10.5
79.05489	13.1
81.07057	32.3
93.07016	25.5
95.08595	28.8
98.97562	26.9
105.07044	17.7
107.08573	12.5
109.48137	12.3
116.79861	12.8
116.98562	11.9
119.08558	14.6
121.10101	12.0
159.11659	17.0
173.01215	21.5
177.00841	12.4
190.04929	10.7
199.46083	10.5
244.99629	11.9
279.15710	23.0
305.02661	93.0
308.02109	12.9
397.18274	18.3
435.98340	12.3
441.15265	100.0
441.20874	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	441.1526
Annotation	Pharacine
Peak:m/z	Relative Intensity
56.96562	9.8
69.03450	10.5
76.01542	7.9
79.05447	8.4
81.07053	41.0
93.07045	15.4
95.08646	10.4
97.85152	7.7
98.97569	78.1
104.25034	9.3
105.07008	11.1
107.04888	8.8
107.08610	9.6
109.10156	15.3
116.98601	31.2
119.08597	11.3
131.00163	21.7
134.99619	8.2
149.09688	9.4
158.99646	31.4
159.11668	9.5
165.09122	43.0
173.01212	13.0
173.09464	8.7
177.00703	19.7
189.31358	7.6
191.02232	10.2
201.00717	8.7
219.01785	12.7
237.02768	15.9
355.14185	39.5
373.15186	38.6
397.15341	28.2
441.15085	100.0
445.32318	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	441.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	10.5
61.40366	2.8
67.00133	3.2
67.05469	3.5
69.03415	3.2
69.07061	3.5
69.41602	12.3
81.07063	7.5
84.96028	8.6
86.74416	3.0
95.08594	3.2
98.97573	100.0
105.07052	3.6
107.08572	4.3
109.41093	3.0
110.97565	7.2
112.99127	15.1
116.98615	25.9
117.07008	3.8
117.67651	2.9
119.08586	2.7
124.99210	3.3
128.98575	8.8
131.00154	20.4
137.09618	3.0
140.98598	3.5
143.00197	3.3
149.01187	5.9
158.99667	28.7
162.99155	5.5
170.99730	4.4
173.01239	16.6
175.26070	2.9
177.00676	20.3
191.02287	11.5
201.00737	5.7
206.98346	2.9
219.01793	23.2
222.92926	2.4
237.02711	20.2
305.02756	4.8
355.14191	91.3
356.14389	4.8
373.15375	30.9
397.14844	46.9
398.15405	3.9
415.16278	16.5
441.15070	81.2
442.15027	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	441.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
55.94078	1.1
56.05033	2.6
57.93475	1.1
58.26324	1.0
69.03424	2.7
69.15359	1.1
71.41990	1.3
81.07036	1.1
83.01336	1.7
84.04500	86.8
85.02902	7.0
85.04859	1.2
87.00851	1.5
97.02880	1.7
101.07111	5.8
102.05546	4.4
109.06477	1.3
121.06485	1.3
121.92440	1.1
127.03907	2.1
130.04997	100.0
131.05385	1.9
137.05974	24.6
141.06973	6.1
142.04973	1.3
147.07632	78.5
148.08014	1.5
155.08604	1.6
159.08022	1.6
165.07016	4.4
166.07755	1.9
167.08490	1.6
169.06456	42.3
169.07660	4.2
169.10226	1.5
170.06854	1.9
171.08066	6.5
175.11224	6.0
178.07736	12.6
179.08549	6.0
180.09149	2.7
181.10019	2.0
183.11725	2.2
184.06047	1.3
190.07829	1.7
193.10147	12.1
193.12270	14.0
195.08096	3.5
197.06114	1.7
197.09616	3.2
205.10051	1.6
206.07243	2.1
207.08090	5.0
209.05969	2.8
210.06699	1.6
211.11060	1.1
213.05472	2.9
221.09607	12.8
223.07526	1.3
224.08322	3.3
225.09077	8.6
233.09500	1.4
234.06714	1.7
235.07449	1.8
235.59029	1.1
239.10652	17.6
240.10907	1.2
249.09050	16.4
250.09679	1.3
251.07074	5.4
251.10693	3.2
253.08650	13.1
259.07550	2.6
261.09052	1.3
267.10156	82.5
268.10419	5.7
277.08521	13.1
280.16345	1.5
295.09656	35.9
296.10077	1.5
303.97949	1.4
312.12341	7.4
336.12451	2.2
360.12085	1.2
377.13403	1.4
378.13416	3.7
388.11752	6.3
395.15829	1.5
415.17563	1.2
423.13788	5.6
424.13611	8.4
441.16611	17.4
441.24139	7.4
442.16769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92789	1.2
54.07462	1.4
55.88444	1.4
61.01159	2.6
70.06584	8.1
72.04523	3.5
78.03798	7.0
78.10851	1.3
79.05486	2.2
88.02206	2.1
89.03902	6.7
95.08630	1.3
100.96857	1.2
102.03771	10.1
107.04941	3.4
117.03374	8.0
120.04825	1.8
131.06407	7.1
132.04785	5.2
135.04405	23.8
137.69162	1.5
142.08609	3.1
145.02846	17.3
149.07433	66.1
163.03893	100.0
164.04262	2.9
234.07573	7.8
261.12671	16.7
311.10565	14.6
423.15778	18.7
431.52411	1.6
441.17133	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21593	0.6
53.44244	0.7
55.05504	1.4
58.44402	0.8
62.65967	0.7
63.87678	0.7
64.51764	0.7
70.92108	0.9
70.92443	0.8
71.04971	2.1
83.08598	2.2
95.08571	2.0
105.59824	0.7
112.63770	0.7
119.08553	1.2
173.13216	1.0
187.14737	1.3
201.16374	1.3
203.05257	3.4
243.04753	2.1
245.06369	7.4
287.03717	15.2
289.05273	100.0
290.05688	4.8
397.18289	10.1
441.17258	66.8
442.17932	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	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38681	2.7
71.08644	0.5
79.05481	0.6
82.32951	0.5
85.42918	0.5
93.07047	0.8
101.49697	0.5
107.08586	0.7
135.11720	0.5
193.11954	1.2
227.05280	1.5
245.06474	0.7
289.05377	1.7
296.11368	0.6
337.16196	0.7
355.17294	7.8
379.17194	3.4
397.18292	30.8
398.18723	1.8
423.16483	3.5
441.17294	100.0
441.24152	4.5
442.17612	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	441.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
56.05030	2.8
64.12048	1.3
70.11008	3.5
71.39742	1.3
83.01347	2.2
84.04498	76.5
85.02906	3.9
85.04829	2.0
85.35635	1.3
97.02911	1.6
100.11245	2.6
101.07137	4.0
101.13029	1.4
102.05529	2.6
111.04424	1.5
112.04108	1.7
122.03662	1.4
130.04996	85.3
131.05322	1.6
138.05473	1.7
141.06985	6.2
143.08592	2.0
147.07640	62.3
151.63322	1.5
159.07852	1.5
161.05957	2.6
161.58702	1.4
165.07048	3.0
166.07803	1.4
166.14497	1.4
167.08614	2.3
169.06468	42.2
170.15388	3.4
171.07993	4.7
178.07722	11.4
179.08504	6.8
179.62187	1.6
180.09265	2.2
182.15413	2.6
193.10112	12.8
195.08061	3.4
197.09613	3.9
198.14818	3.5
203.05394	1.9
203.08615	1.5
205.10175	1.8
206.07234	3.2
207.08090	3.9
209.05971	2.0
210.06670	1.5
210.14853	3.5
213.05551	1.5
221.09584	9.8
222.10017	1.8
223.07611	1.8
224.08353	3.8
225.09088	7.5
227.05074	1.5
233.09523	1.4
234.06726	1.7
235.07600	2.6
239.10663	15.7
249.09074	16.0
251.07063	3.8
251.10739	2.4
253.08565	12.1
259.07370	3.7
259.11862	1.4
261.18182	1.8
267.10159	73.9
268.10501	5.1
277.08551	13.4
288.52142	1.4
295.09698	30.6
296.10086	1.6
312.12375	6.0
336.11987	2.7
341.31549	1.3
355.17233	5.7
360.12256	2.1
378.13391	2.5
379.49387	1.6
388.11685	7.7
397.13147	1.7
397.18307	31.0
398.18680	2.6
406.12903	2.5
424.13837	6.5
424.31607	2.0
441.17200	100.0
441.24469	69.0
441.34079	3.2
442.17523	8.7
442.24582	3.7
452.05743	1.4
456.28949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03260	0.6
55.61416	0.7
67.05514	0.6
69.03412	1.7
69.07020	0.6
69.29546	3.4
79.05483	1.6
81.03394	1.2
81.07037	1.3
85.02901	1.5
93.07024	1.4
95.08608	1.2
97.02888	0.6
97.15271	0.7
98.22604	0.7
104.20092	0.7
104.45846	0.7
105.07015	1.6
107.08563	2.7
109.10145	1.3
119.08551	1.2
127.03909	1.6
133.10078	0.8
135.11646	2.1
142.51389	0.6
152.28700	0.7
163.03816	0.7
170.06622	0.6
171.71405	0.7
175.14839	0.8
175.34924	0.6
185.04204	1.4
193.15828	0.7
203.05170	1.9
227.05266	1.5
245.06328	6.1
263.32300	0.8
271.04355	0.7
287.03506	3.5
289.05270	56.9
290.05569	2.2
355.17331	4.0
378.09531	0.8
379.17151	3.0
397.18295	20.1
398.18582	1.4
423.16177	11.5
424.16678	0.9
441.17203	100.0
442.17575	9.0
446.43900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75242	1.0
63.16101	1.0
70.72900	1.9
74.80825	1.0
81.07038	1.1
84.05634	1.9
101.33609	1.0
116.01657	1.9
132.01485	1.1
163.03922	4.1
164.04277	3.3
185.47296	1.2
189.05565	1.6
193.11990	4.2
193.13609	1.5
194.02112	1.1
201.03760	1.8
203.05151	1.3
243.04768	11.7
245.06236	5.5
255.01740	1.4
256.02148	1.2
271.04330	1.3
287.03711	100.0
288.04169	3.0
289.05273	47.9
310.54639	1.1
355.17139	1.1
397.18295	10.4
441.17291	91.1
442.17557	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	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
61.02925	0.8
69.03426	2.7
79.05484	1.2
81.03416	2.9
81.07036	1.8
83.08607	1.0
84.04529	0.8
85.02885	2.7
85.90266	0.7
87.00823	1.2
91.05470	1.4
93.07041	3.3
94.35024	0.7
95.08099	0.6
95.08587	4.2
95.76776	0.6
97.02910	1.1
99.04478	1.6
105.01884	0.9
105.07026	3.3
107.08584	3.1
109.02887	1.4
109.06484	0.8
117.07003	0.7
119.08568	2.0
121.10145	3.3
127.03917	2.2
129.01865	0.7
131.08543	1.1
133.10114	1.4
135.11703	1.7
147.11693	1.3
149.13239	1.8
151.63660	0.9
169.23976	0.7
175.14816	2.0
177.16431	2.1
193.12054	1.2
227.05434	1.1
271.04379	0.7
289.05157	2.0
295.07715	2.0
355.17288	7.9
397.18295	33.6
398.18866	2.9
423.14023	2.5
441.17346	100.0
442.17679	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	441.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79258	0.5
63.80216	0.6
65.03939	0.5
67.05482	0.7
69.03439	0.8
69.07019	0.6
69.19545	2.9
70.44042	0.6
74.19606	0.5
81.07042	0.6
85.02915	1.3
85.06490	0.7
91.05457	0.6
91.86110	0.5
93.07076	0.6
95.08570	1.0
97.02895	0.8
119.08560	1.0
121.10152	0.6
126.30268	0.5
127.03915	0.7
134.26703	0.5
137.05920	0.7
137.09636	2.4
139.18536	0.5
147.04402	1.4
193.15924	2.3
227.05350	0.7
266.27637	0.6
355.17215	8.7
379.17374	0.8
397.18292	53.1
398.18579	3.6
423.15875	2.6
424.44119	0.6
441.17319	100.0
441.24326	10.5
441.33948	1.7
442.17783	7.2
442.24152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83572	0.5
53.18700	0.4
56.85474	0.5
60.26660	0.4
69.37567	2.3
93.07051	0.7
98.23400	0.5
102.64082	0.4
141.33414	0.4
188.20695	0.5
193.12021	1.3
211.89072	0.5
227.05284	1.2
289.05246	1.3
337.16403	0.6
355.17224	10.1
356.17279	0.8
367.02359	0.5
379.17206	1.8
397.18311	45.0
398.18509	3.0
423.16037	0.9
441.17282	100.0
442.17734	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	441.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57915	0.5
52.91150	0.5
53.67069	0.5
66.94527	0.5
69.03412	1.5
69.21674	2.9
83.01086	0.5
85.02895	2.1
87.04466	1.4
93.07044	0.8
93.28704	0.5
96.60521	0.5
97.02888	1.9
100.11268	1.0
115.03893	1.4
133.04941	1.2
159.07526	0.6
170.15417	1.1
185.04204	0.7
193.12010	1.3
224.83182	0.5
227.05283	1.5
289.05246	1.4
355.17242	8.9
356.17670	0.6
379.17224	1.6
397.18304	56.5
398.18607	3.7
423.16519	1.1
441.17267	100.0
442.17575	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	441.173
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
59.68061	0.5
70.42021	0.5
70.67613	0.8
71.09610	0.5
76.64677	0.5
84.01891	0.6
95.01100	1.1
96.01872	0.8
112.01368	0.9
113.02151	2.4
123.52055	0.5
123.69082	0.5
185.04245	2.8
201.03688	0.6
203.05251	0.8
204.07553	2.6
259.08002	1.6
260.97772	0.6
270.28842	0.5
279.12085	1.5
328.78934	0.6
335.34766	0.6
441.17426	100.0
442.17767	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75242	1.0
63.16101	1.0
70.72900	1.9
74.80825	1.0
81.07038	1.1
84.05634	1.9
101.33609	1.0
116.01657	1.9
132.01485	1.1
163.03922	4.1
164.04277	3.3
185.47296	1.2
189.05565	1.6
193.11990	4.2
193.13609	1.5
194.02112	1.1
201.03760	1.8
203.05151	1.3
243.04768	11.7
245.06236	5.5
255.01740	1.4
256.02148	1.2
271.04330	1.3
287.03711	100.0
288.04169	3.0
289.05273	47.9
310.54639	1.1
355.17139	1.1
397.18295	10.4
441.17291	91.1
442.17557	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	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56148	0.4
60.14311	0.5
67.05518	1.0
67.39181	0.5
70.06589	2.7
71.06912	0.7
71.43947	0.6
79.05485	0.5
81.07034	0.5
86.11499	0.5
91.05470	0.6
93.07068	1.7
93.71663	0.5
95.08634	0.7
98.24453	0.5
102.06685	0.6
116.65582	0.5
117.22591	0.6
130.60655	0.5
133.06519	0.5
135.04439	0.8
135.11717	1.6
145.02954	0.5
163.03926	1.7
175.19702	0.5
177.05428	1.3
178.05852	0.7
181.04944	5.4
185.04169	0.7
193.12022	1.8
196.61258	0.5
203.05333	2.1
227.05200	1.4
245.06320	7.0
261.12689	0.7
271.04321	1.5
289.05276	21.4
337.16284	1.0
355.17346	4.3
379.17343	3.0
381.67737	0.5
397.18286	17.1
398.18808	1.6
423.16217	18.7
424.16727	0.9
441.17361	100.0
442.17725	8.0
466.14597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46605	0.7
69.46992	0.8
70.06589	0.7
76.27424	0.3
83.01120	0.5
84.01881	0.5
92.46603	0.4
95.01089	1.4
96.01896	0.4
98.97583	0.5
112.01362	0.7
113.02106	2.1
157.04755	0.5
167.03271	0.4
175.82803	0.3
185.04218	3.4
189.05273	0.5
201.03719	0.9
202.04428	0.5
203.05243	0.7
204.07578	2.7
205.64345	0.4
212.12889	0.3
243.08484	0.3
244.46300	0.3
253.84055	0.3
259.07852	0.9
270.58652	0.4
279.12106	1.6
441.17432	100.0
442.17709	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	441.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75895	0.8
67.05493	0.9
69.03429	0.9
69.48827	3.5
70.06586	1.6
72.08141	0.8
81.03424	1.2
85.02891	0.9
91.05479	1.4
96.86785	0.7
101.40747	0.7
119.01907	0.9
119.04993	0.8
133.09714	1.2
141.53168	0.7
145.02916	0.8
147.04424	3.5
163.03951	1.5
177.05434	1.3
185.04300	1.3
187.01085	0.7
193.12001	3.9
203.05260	2.5
227.05310	2.1
245.06262	6.2
271.04306	4.2
279.12265	1.0
289.05264	40.1
290.05533	1.0
355.17288	1.7
397.18256	10.9
441.17288	100.0
442.17731	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	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46841	0.6
53.99048	0.5
59.04971	0.7
67.05501	0.8
69.03389	0.6
69.57942	0.8
69.58278	2.2
86.15562	0.6
95.08581	2.2
114.09190	0.7
190.82187	0.6
193.11963	0.8
203.05269	2.0
227.05197	1.4
245.06323	7.1
271.04279	1.0
273.88501	0.6
289.05270	100.0
290.05676	3.3
397.18347	5.0
423.16187	3.7
431.37207	0.7
441.17273	77.8
442.17587	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	441.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01876	1.6
55.05514	3.3
57.03425	1.2
57.22087	0.6
61.02909	0.7
63.86764	0.7
67.05505	6.3
69.03423	17.2
69.07050	3.2
71.04984	1.8
73.02898	0.8
79.05487	1.5
81.03411	11.2
81.07043	4.8
83.04974	1.3
83.08620	1.9
85.02903	7.9
87.00850	3.8
91.05480	2.5
93.07034	5.1
95.04968	2.9
95.08600	5.6
97.02880	6.2
97.06515	1.6
97.10206	0.7
99.04443	3.3
105.01870	1.5
105.07014	3.2
107.08585	7.4
109.02872	8.8
109.06508	4.0
109.10150	12.4
111.08067	5.4
117.06973	0.7
119.08557	7.1
121.10119	2.7
123.08070	3.5
123.11681	1.9
125.09609	1.0
127.03901	9.9
131.08554	0.9
133.10118	6.3
135.11668	8.8
137.09602	100.0
138.09929	2.5
143.08554	0.8
145.04945	2.9
145.10124	1.4
147.11688	2.1
149.13217	0.9
157.10173	0.8
163.07417	0.6
173.13249	0.9
175.14789	12.2
177.16241	0.7
193.15868	82.5
194.06403	1.0
194.16202	2.2
203.05296	1.2
231.04987	4.9
308.42923	0.6
355.16974	0.7
397.18115	1.4
441.16095	0.9
441.19727	5.3
441.24847	6.5
452.44199	0.8
460.17545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24281	1.1
53.03940	2.3
55.01854	2.1
55.05500	2.5
57.03432	3.2
61.02900	1.6
67.05499	4.0
67.53037	1.2
69.03424	27.5
69.07060	6.0
71.04989	3.0
71.29745	1.3
79.05479	3.2
81.03413	23.8
81.07053	6.9
83.04981	1.7
83.08617	4.1
85.02892	13.8
87.00835	3.6
91.05482	4.9
93.07030	7.9
95.04951	3.0
95.08611	9.5
97.02886	9.8
97.06554	1.9
98.95773	1.4
99.04445	5.4
105.01846	1.7
105.07007	4.5
107.08578	11.2
109.02870	17.0
109.06512	6.5
109.10153	13.7
111.08060	7.0
119.08576	8.1
121.10150	4.3
123.08064	4.9
123.11687	3.0
127.03900	22.0
131.08498	1.9
133.10083	10.1
135.08031	1.4
135.11688	13.3
137.09604	100.0
138.09953	2.5
145.04930	6.5
145.10132	2.1
147.11678	4.1
147.38013	1.4
149.13264	1.5
157.10057	1.8
157.69278	1.4
161.13223	1.4
173.13243	1.8
175.14816	20.1
187.15137	1.3
193.15872	97.8
194.16226	3.7
231.04990	13.8
301.84860	1.4
441.16010	2.9
441.21576	7.5
445.19888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2459
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
51.78001	0.4
54.50644	0.4
55.05492	0.5
57.03411	0.4
59.67390	0.4
67.05505	0.5
69.03425	1.0
69.07100	0.5
69.75259	1.0
69.75639	1.0
81.03447	0.8
81.07059	0.6
85.02903	1.3
95.04953	0.5
97.02862	0.9
105.05212	0.4
105.07062	0.5
107.08588	0.7
109.02832	0.9
109.10150	0.5
119.08583	0.7
124.99654	0.4
127.03940	0.7
133.10141	0.5
135.11684	0.5
137.09595	4.7
175.14815	0.8
193.15860	3.6
203.05315	0.5
310.13260	0.5
329.07867	0.5
397.18314	3.0
423.23526	1.3
441.17642	6.8
441.24567	100.0
442.18427	0.8
442.24954	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	441.3725
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05498	19.1
57.07061	6.8
63.79475	5.4
67.05491	34.0
69.07068	44.3
70.83185	10.1
79.05486	23.1
81.07053	100.0
83.04972	7.8
83.08591	12.2
91.05481	21.5
93.07026	43.1
95.08595	73.6
97.10145	7.4
99.08091	5.5
100.09289	5.2
105.07043	47.8
107.08583	47.9
109.10143	63.6
109.99868	5.4
110.10459	6.0
111.11706	7.6
116.37379	5.6
119.08588	39.4
120.46190	5.1
121.06596	5.0
121.10123	37.2
123.11697	17.5
125.35124	4.9
127.03497	5.6
131.08536	20.5
133.10129	29.2
135.11696	19.0
137.13255	9.9
143.08545	8.9
145.10081	16.9
147.11705	22.2
149.13231	12.2
157.10114	15.6
159.11685	24.8
161.13258	18.0
163.14798	13.2
171.11700	7.6
173.13232	15.8
175.14748	12.4
177.16380	13.7
187.14749	8.0
213.16304	7.1
227.17996	6.3
245.22728	6.3
313.28793	6.2
423.36041	13.6
441.31271	8.5
441.37170	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	441.3721
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
55.05505	15.2
57.07076	15.6
65.03934	4.4
67.05499	25.8
69.07071	23.6
71.04977	3.4
71.08614	18.0
73.06535	2.9
79.05489	25.6
81.07049	56.1
83.08600	11.9
85.06541	11.2
85.10165	9.3
89.06023	28.9
90.66084	2.4
91.05478	26.0
93.07033	57.7
95.04951	7.7
95.08595	100.0
96.08959	2.8
97.10147	6.5
103.05553	3.7
105.07021	44.3
107.08580	63.4
109.06503	3.2
109.10143	59.2
110.10561	3.4
111.08071	7.8
113.09660	6.1
117.07021	4.9
119.08567	55.1
121.06491	24.3
121.10132	56.7
123.08037	3.9
123.11687	23.0
125.09656	4.8
125.75910	3.0
131.08514	18.2
133.08629	16.2
133.10107	40.0
135.11676	46.0
137.13261	8.6
145.10115	25.0
147.07997	4.5
147.11673	33.1
149.13226	35.1
151.11133	4.5
154.04903	3.2
157.10069	5.2
159.11646	34.4
161.13246	34.9
163.14793	35.4
165.09091	15.4
168.58257	2.7
173.13266	20.0
175.14801	40.0
177.11201	4.1
177.16356	17.1
179.14250	5.5
185.13356	3.4
187.14778	14.9
189.16357	23.3
191.14322	9.3
191.17929	68.9
192.18251	4.8
193.15843	5.8
201.16373	21.8
203.17909	25.5
205.15883	6.3
205.19458	8.6
207.17427	12.1
209.11497	3.1
213.16364	7.2
215.17912	24.4
217.19540	16.7
219.17380	11.1
221.19032	3.6
227.18024	7.4
229.19432	8.9
231.17526	3.7
231.21118	6.1
233.18987	26.5
233.22658	3.5
241.19467	3.6
243.21115	5.7
247.20541	7.8
257.22726	5.5
261.22266	5.2
287.23645	5.7
291.23148	4.9
297.25894	3.8
315.18134	3.7
383.98529	2.9
395.36594	6.7
405.35019	10.4
413.37897	4.5
423.36166	71.2
424.36621	10.8
441.32037	4.2
441.37253	72.6
442.37503	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	441.3725
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05510	21.4
57.07061	8.0
60.26855	2.5
61.81091	2.9
67.05499	37.3
69.03436	2.6
69.07058	42.7
69.10133	10.6
69.10538	4.4
71.04971	3.0
71.08611	2.3
75.21822	2.5
77.03886	2.3
79.05481	24.7
81.07044	97.5
83.08621	19.2
91.05466	23.1
91.22581	2.3
93.07038	51.7
95.04955	4.7
95.08594	84.9
97.10154	7.6
103.28185	2.1
105.07020	49.0
107.08582	54.4
109.06522	2.8
109.10139	62.2
110.10497	2.9
111.08070	4.2
111.11723	4.8
115.07497	2.7
117.07022	4.3
119.08569	49.6
121.10136	44.9
123.11694	33.8
131.08536	15.1
133.10107	35.9
135.11679	34.6
137.09615	8.3
137.13252	10.3
143.08484	3.2
145.10097	27.4
147.11673	44.9
149.13235	21.8
155.10641	6.5
157.10118	7.2
159.11688	30.1
161.13234	27.2
163.14803	20.5
165.12633	3.0
169.10129	3.4
171.11713	6.2
173.13234	23.3
175.14774	20.0
177.16347	12.0
185.13272	10.3
187.14836	13.1
189.16420	18.6
191.17961	6.0
199.14832	7.8
201.16356	13.7
202.46550	2.6
203.17908	17.4
205.15863	2.7
213.16342	5.4
215.17921	13.8
217.19504	9.1
227.18007	5.2
229.19437	6.7
231.21039	4.8
241.19455	4.5
243.21005	5.7
255.21225	3.7
257.22656	8.6
259.24066	4.6
267.17911	2.4
269.22830	4.1
271.24203	9.5
283.24283	7.1
288.60138	2.3
313.28903	4.1
317.24780	2.6
385.30838	3.2
423.36136	14.6
441.37231	100.0
442.37671	11.5
465.88477	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	441.3725
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
51.25232	2.5
53.03938	2.8
55.05508	20.1
57.07066	7.5
63.87155	2.2
67.05499	43.3
69.07063	39.5
71.04996	3.4
71.74138	2.4
79.05483	28.4
81.07050	100.0
83.04960	2.8
83.08620	13.7
91.05471	26.7
91.21305	2.7
93.07039	59.8
95.04961	7.3
95.08599	85.9
97.10157	6.3
98.22606	3.7
105.07021	53.2
107.08584	68.6
109.06466	4.3
109.10146	76.2
111.08060	3.5
115.05392	3.5
115.07556	3.1
117.07009	5.2
119.08568	48.7
121.06583	2.6
121.10138	49.0
123.11697	30.2
129.06935	4.6
131.08578	13.0
133.10127	36.9
135.11678	44.3
137.09605	4.6
137.13242	9.0
139.11243	2.6
143.08574	6.0
145.10133	27.9
147.11678	35.8
149.13242	23.4
151.11169	3.7
151.14825	3.5
155.10669	7.3
157.10135	9.8
159.11662	26.8
161.13246	20.8
163.14801	19.2
171.11691	6.4
173.13200	13.9
175.14798	19.2
177.16307	11.4
185.13315	5.8
187.14751	12.9
189.16386	19.0
191.17958	5.6
199.14824	6.9
201.16368	10.9
203.17914	15.7
213.16420	3.7
215.17978	9.8
217.19499	8.4
221.14984	2.4
227.17979	4.1
229.19513	4.2
231.21039	5.5
257.22543	6.8
259.24365	3.9
269.22708	3.5
271.24176	7.0
283.24246	7.0
385.30807	2.9
410.49170	2.5
423.36002	10.9
441.32684	2.4
441.37198	62.5
442.37634	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	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05501	21.1
55.36160	3.5
56.00796	3.5
57.07070	14.0
63.20443	3.5
67.05503	41.3
69.07063	42.2
69.13351	18.2
71.04994	5.8
79.05492	23.7
81.07056	100.0
83.08621	12.8
91.05486	21.2
93.07043	52.7
95.04987	5.4
95.08604	90.9
97.10181	7.0
98.22701	9.7
105.07021	52.8
107.08590	60.3
109.10149	63.9
113.13733	4.0
117.07043	9.0
119.08569	53.9
121.10148	52.4
123.11676	26.4
131.08578	16.4
133.10138	37.5
135.11702	36.0
137.13252	8.0
143.08525	4.9
145.10112	23.5
147.11661	27.5
149.13263	24.3
155.10640	8.5
157.10104	10.3
159.11674	31.4
161.13269	21.6
163.14825	17.0
167.98160	4.0
171.11696	8.3
173.13225	20.3
175.14810	12.7
177.16411	12.2
185.13219	7.2
187.14836	21.5
189.16397	19.6
191.17946	7.3
201.16341	11.0
202.71361	4.3
203.17975	26.3
213.16379	11.5
215.17905	9.4
217.19562	7.2
227.18085	4.3
229.19539	5.9
243.21176	5.6
245.22633	6.7
257.22559	10.0
269.22607	5.6
271.24265	11.7
288.28183	4.4
313.29077	5.7
405.35196	5.7
423.36041	12.5
441.31720	6.8
441.37286	82.2
442.37497	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	441.3725
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
51.02372	2.5
51.45477	2.5
53.03947	3.2
55.05508	21.8
57.07067	6.8
63.21525	2.4
67.05503	32.8
69.07063	35.7
71.04988	4.0
71.17246	2.3
71.31715	2.4
79.05481	25.0
79.40055	2.4
81.07050	100.0
83.08605	11.8
87.18212	2.4
91.05447	15.2
93.07040	48.4
94.07387	2.9
95.04962	7.1
95.08599	88.5
95.09214	4.2
97.10169	8.1
97.50247	2.4
101.06012	5.1
105.07017	42.9
106.07333	3.2
107.08585	66.7
109.06474	3.4
109.10145	72.1
111.08067	3.5
111.11735	3.9
113.53408	2.4
117.07001	7.1
119.08561	49.0
121.10133	47.5
123.08092	3.4
123.11688	34.7
131.08556	13.7
133.10130	38.1
135.11682	43.4
137.09625	6.3
137.13252	11.8
139.11119	3.8
143.08539	4.5
145.10118	21.9
147.11670	46.7
148.11934	3.5
149.13246	36.5
151.14824	3.0
155.10677	5.4
157.10094	6.3
159.11693	31.3
161.13239	34.4
163.14807	21.2
165.12727	3.7
171.11714	8.5
173.13237	17.1
175.14806	22.0
177.16367	13.2
185.13257	6.9
187.14862	21.4
189.16396	16.3
191.17920	8.3
199.14812	5.1
201.16429	15.9
203.17934	30.2
204.18271	4.0
213.16402	6.0
215.17924	12.1
217.19548	11.7
227.17899	5.0
229.19513	8.7
229.69835	2.6
231.21062	3.6
241.19518	5.3
243.21118	5.8
245.22641	4.7
257.22580	12.7
259.24136	3.3
269.22681	7.1
271.24228	10.3
283.24268	9.1
285.25583	3.1
311.27118	4.0
313.28738	4.4
317.24765	3.0
385.31772	3.0
423.36166	15.2
441.37234	99.3
442.37402	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	442.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	13.6
69.30391	7.2
71.32063	1.9
98.22678	3.3
99.18626	1.9
110.10229	1.8
271.06451	2.0
275.05942	4.6
277.07343	3.2
289.07391	8.2
303.09259	2.0
304.06046	2.5
307.08173	2.0
313.10974	1.9
329.14343	3.5
331.12112	6.4
341.14395	4.7
345.13727	3.2
346.10669	1.8
346.14362	10.2
347.15179	8.2
349.13208	3.1
359.14981	9.9
361.12857	2.5
363.14828	2.8
364.15472	6.6
365.16037	5.0
377.16321	100.0
378.16626	7.4
389.16318	3.8
395.17395	82.2
396.17725	5.9
400.17950	7.5
401.16284	16.1
401.39026	1.9
418.19083	2.3
419.10892	4.4
419.17310	39.9
420.17957	2.4
437.18362	5.4
442.18488	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	442.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01867	7.6
55.05500	4.7
57.03425	7.9
59.04982	3.0
61.02914	7.4
68.99798	4.2
69.03429	41.3
71.04987	7.7
71.08626	19.2
71.42174	1.8
73.02917	5.4
73.06553	38.7
73.44559	1.6
81.03412	31.2
81.07054	12.1
83.04992	3.4
84.04486	5.5
85.02900	80.8
85.06548	2.9
87.00826	35.3
91.03949	2.0
97.02879	27.3
99.04456	13.2
99.08078	11.5
105.01866	39.3
109.02871	27.4
109.06532	9.5
115.07559	13.8
117.01928	1.9
117.09127	100.0
127.03906	68.8
127.07581	2.0
128.04262	2.3
129.01816	3.6
130.04999	6.9
141.09105	18.7
145.04965	21.3
159.02875	10.4
159.10202	5.4
177.11206	35.8
187.09631	7.5
189.03914	2.6
231.05020	15.1
242.79456	2.1
243.12402	5.0
249.06049	3.3
267.12308	3.3
284.95264	2.1
339.07343	2.6
345.15417	5.0
347.13339	2.1
371.13416	6.5
389.14429	7.2
399.08591	2.8
407.15585	3.8
416.64151	1.9
442.17126	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20577	0.6
52.46033	0.6
53.03941	2.0
55.01862	2.4
55.05502	2.4
57.03433	4.9
59.70708	0.7
60.06498	0.6
61.02927	7.5
67.05482	0.8
69.03426	15.2
70.06567	0.8
71.04983	4.0
71.42346	0.7
73.02908	3.2
79.05527	0.8
81.03415	7.2
81.07037	0.7
83.08612	5.4
85.02900	100.0
86.03249	1.4
87.04441	1.3
91.03947	5.0
93.07007	0.8
93.16215	0.6
97.02886	21.2
97.68266	0.6
99.04446	3.7
101.09627	1.1
103.03928	1.3
109.02870	8.2
109.03548	0.8
111.08100	0.9
115.03941	1.0
123.08059	1.1
125.09690	1.0
127.03905	25.3
129.09106	0.9
135.08087	0.7
135.70390	0.8
139.07555	1.5
141.09117	1.4
145.04948	45.8
153.09189	0.7
155.24852	0.6
163.06012	16.7
167.10669	0.8
181.23775	0.6
209.11736	1.8
214.00864	0.6
227.12758	1.6
245.13847	1.8
263.14859	1.5
355.12881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49295	2.4
55.05502	12.4
57.03440	18.7
59.04992	5.5
61.02924	4.4
61.77583	2.6
62.48119	2.2
69.03065	5.0
69.03424	73.7
71.08624	16.0
73.02905	4.5
81.03416	6.6
81.07022	3.9
82.06596	2.9
83.04960	6.1
83.08601	8.5
84.08130	3.3
85.02896	100.0
85.06522	3.9
85.23322	2.5
87.04459	43.8
88.11251	9.7
91.03944	6.6
97.02882	70.5
98.22694	10.5
99.04470	2.9
100.07607	8.7
100.11243	28.0
109.02874	7.8
111.04437	13.6
115.03918	70.5
127.03928	21.6
127.57228	2.6
128.07088	6.6
133.04948	76.8
133.35541	2.3
140.07043	3.4
145.04950	39.4
150.07622	7.6
158.36383	2.4
163.05931	12.2
170.15385	48.7
182.15378	30.4
198.14876	41.4
209.16451	4.0
210.14844	34.1
213.01949	2.6
227.17343	3.3
228.15916	11.4
245.18582	11.4
277.09189	3.6
297.25317	6.0
336.22571	3.5
337.21198	15.7
355.22147	5.1
356.17627	7.6
397.18475	3.3
398.18631	54.0
411.71878	2.8
424.31546	27.5
427.01602	2.4
442.17590	89.0
442.23853	3.1
442.32700	27.7
443.18066	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	442.9581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89432	1.1
58.35976	1.0
67.72243	1.3
74.13022	1.1
77.58611	1.0
88.02729	1.1
98.23517	2.0
104.99291	2.3
114.98885	1.1
120.96637	4.3
136.94012	48.4
153.80095	1.2
167.01855	1.3
181.04941	1.3
229.35899	1.1
262.97757	13.8
278.95190	100.0
279.95328	6.1
296.87802	2.5
322.98611	4.8
334.98779	1.4
338.82980	1.1
360.87152	2.1
360.95831	4.8
383.08090	2.3
400.93085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96658	1.6
71.43469	1.6
97.29654	1.7
104.99274	5.0
129.06636	1.6
144.98224	2.0
157.58650	1.9
199.99687	1.6
225.09120	2.1
270.53506	1.7
302.55231	1.6
361.10428	100.0
362.10736	6.3
402.12964	2.1
468.81488	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69779	0.8
52.33494	0.9
57.07056	2.8
69.03412	1.8
70.06596	3.1
71.41617	1.1
72.08131	1.6
81.07024	1.0
83.05006	2.0
85.02895	3.1
92.67067	0.9
93.07039	0.9
95.04960	1.0
97.02880	2.2
109.02847	1.5
116.61192	0.9
117.03369	1.2
119.08597	0.8
121.10054	0.9
124.19378	1.0
127.03968	1.6
129.06987	1.5
135.04402	1.4
145.02869	1.1
145.04987	1.3
147.04326	1.9
154.97948	1.1
157.06474	2.1
159.08025	1.4
163.03947	8.0
163.11156	2.6
177.09142	1.0
181.12256	0.9
185.05963	1.8
220.09680	1.8
236.03685	1.3
245.15376	1.0
247.11711	1.2
263.16364	3.1
269.92737	1.0
281.17624	1.1
282.09717	3.5
300.68930	1.0
399.16229	0.9
400.34763	1.0
429.64801	0.8
443.16742	100.0
444.17410	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01860	5.3
55.05502	16.7
57.03439	4.3
57.37177	3.5
61.02919	4.4
64.95283	2.7
65.03927	3.1
65.61369	3.2
67.04237	5.3
67.05490	14.7
68.30103	2.5
68.99786	3.5
69.03423	39.5
69.07053	17.1
70.06571	2.9
71.04958	7.6
72.08151	15.1
73.02900	3.2
79.05480	19.3
81.03411	27.0
81.07043	39.1
83.04957	3.7
83.08624	11.7
84.80553	2.8
85.02891	43.5
85.06538	6.1
86.09711	13.8
87.00809	20.9
91.05474	14.0
93.07033	32.1
95.04973	8.5
95.08595	67.6
97.02866	20.5
98.23514	5.6
99.04462	5.2
99.08086	18.1
100.02194	13.4
102.57086	2.6
105.01866	14.0
105.07010	23.5
105.61204	3.0
107.04954	3.9
107.08580	60.6
108.08221	3.3
109.02859	21.6
109.06490	6.2
109.10145	16.9
111.04404	5.2
111.08110	3.4
111.11728	4.5
113.09650	4.2
115.03955	6.0
116.04984	7.2
117.05475	3.0
117.06987	5.4
119.08571	26.6
121.06485	7.5
121.10133	77.1
122.06013	12.0
123.11714	16.7
125.09650	5.5
127.03903	45.5
128.01646	69.2
128.02528	5.2
129.01852	4.9
129.07002	4.1
131.08580	9.1
133.10117	25.0
135.08070	4.7
135.11685	27.9
136.07515	16.8
137.13243	7.7
143.08521	5.1
144.04428	10.2
145.04958	9.6
145.10124	12.5
147.04408	3.6
147.11700	14.8
149.09666	4.0
149.13290	13.9
155.08522	3.5
159.11678	13.6
161.13306	6.9
162.05559	4.1
163.03929	6.3
163.14868	6.3
165.12695	3.0
171.11714	3.8
171.14967	4.1
172.03902	46.1
172.05121	3.8
173.13280	10.0
175.14781	21.1
177.12747	10.0
177.16356	100.0
178.16747	3.7
181.04942	6.3
183.11693	7.2
185.03801	3.5
187.14839	11.6
189.16412	9.0
191.14316	3.8
191.18015	3.7
195.13762	6.7
195.17453	8.5
199.14557	4.8
201.16391	4.1
203.17900	6.6
204.06546	67.5
209.13263	7.2
213.03859	3.2
213.16280	4.2
219.17409	4.2
227.14284	4.5
231.04413	35.2
231.17488	5.3
243.17415	2.9
245.18484	3.6
267.17203	3.2
285.18466	9.7
303.19403	4.2
322.14755	6.2
339.13397	6.8
389.19592	6.0
407.20520	4.5
425.17200	32.4
425.21982	4.5
426.17764	3.9
443.12857	26.5
443.17801	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	443.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
73.94273	3.1
79.05497	5.5
81.07075	6.0
86.47237	3.4
87.04433	3.9
87.37222	2.9
95.08599	6.7
105.07043	6.8
107.08601	9.8
119.08582	2.9
147.11693	7.5
159.36601	3.0
163.14821	3.2
177.21980	3.6
223.09404	100.0
269.35217	3.6
359.63278	3.8
443.27536	8.4
443.33102	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	443.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07988	0.4
58.06628	0.5
60.05645	6.5
69.07064	9.0
70.06587	25.1
71.04997	0.8
71.46080	0.6
72.08147	1.9
76.73338	0.4
84.08136	0.7
86.09698	100.0
87.10043	1.5
100.07631	0.7
112.08735	3.5
113.07174	1.1
114.10293	1.2
115.08694	3.9
116.07093	7.7
117.03371	0.6
119.08574	1.1
121.23047	0.4
128.10712	17.9
128.11723	0.8
130.09746	2.6
133.09984	1.0
147.04364	0.9
148.20490	0.6
156.10164	1.1
156.11305	8.6
156.12514	0.8
158.09238	7.2
158.97493	0.7
163.03918	2.4
175.11896	18.6
177.05400	1.2
187.01883	0.5
199.18181	0.6
269.18655	0.7
271.14963	1.0
271.17603	8.1
281.08344	0.9
282.09708	1.0
288.20200	1.0
298.80969	0.5
378.20880	0.6
378.25690	0.6
380.23877	0.5
425.12183	0.8
425.28458	0.7
443.29745	86.5
444.30130	6.6
466.96045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	3.3
55.05507	36.5
57.03426	5.0
57.07070	19.3
59.04997	2.3
67.05505	22.1
69.07063	39.0
69.80005	6.4
71.08627	11.5
73.06559	9.4
79.05492	2.7
81.06566	3.2
81.07050	63.4
83.04977	33.7
83.08611	24.9
85.10162	4.9
93.07077	2.8
95.08598	100.0
95.89290	2.1
97.10158	16.3
98.22600	2.0
101.05343	3.9
101.06009	76.5
109.10142	44.3
111.11721	17.4
113.09632	7.0
117.85674	2.1
119.07047	11.9
123.11703	32.9
125.13253	8.7
137.13252	28.1
141.12732	2.4
151.14803	28.7
183.10042	2.6
183.89711	2.0
201.11229	7.2
207.21080	25.0
225.22121	66.4
225.24385	3.1
243.23129	6.2
325.27115	5.2
343.28549	3.1
433.49872	1.9
443.33472	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	2.9
59.18470	0.6
69.03420	1.8
69.36620	0.6
70.06573	2.9
70.72037	1.5
72.08147	1.3
73.04744	1.7
79.05481	2.1
79.96457	0.6
84.04494	1.1
85.02899	5.5
86.03211	1.1
86.09681	1.6
89.03910	11.9
89.10861	0.7
91.05865	4.7
95.04974	1.1
97.02877	2.9
105.03397	1.0
105.07000	1.3
107.04954	3.9
109.02864	0.9
115.03872	0.8
115.05465	2.6
117.02573	1.0
117.03373	14.5
117.07009	6.1
118.21423	0.8
119.08543	0.9
127.03902	1.4
127.36978	0.8
128.06218	8.7
129.06995	45.2
130.07352	1.6
131.04935	1.9
133.06479	1.8
135.04407	28.6
137.05896	0.9
143.04904	2.7
145.02849	17.1
145.04846	1.4
145.06471	9.3
146.03210	0.7
147.04431	4.1
147.08049	2.1
149.05971	0.9
155.04869	0.9
155.06039	1.7
157.06477	44.8
159.04373	0.8
161.05948	5.3
163.03893	100.0
164.04256	1.8
167.05499	2.6
171.04393	3.0
172.07719	0.7
173.05984	10.0
175.03897	0.9
175.07550	5.2
175.31386	0.7
177.05443	1.8
185.05975	24.0
189.05409	4.7
191.03613	0.8
191.06992	4.7
193.00827	0.7
193.04938	2.2
199.03882	1.7
201.05463	10.4
202.08618	1.3
203.07031	10.3
207.06435	3.8
208.09668	3.2
217.04970	5.2
218.08179	1.1
219.06483	3.0
220.09669	24.7
220.11769	1.5
225.04262	0.8
229.04961	2.2
235.06007	4.3
236.09212	4.9
238.10829	0.8
246.07570	1.7
247.06073	1.2
260.63568	0.7
264.08646	23.8
282.09692	58.3
283.10165	1.6
286.80679	0.8
338.45630	0.9
359.02835	4.6
444.12866	43.3
445.13254	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	444.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	0.4
63.02349	0.7
65.60011	0.3
68.43789	0.3
69.03417	0.5
70.06567	0.6
70.84950	0.3
71.04987	16.9
72.08129	0.3
73.04749	0.4
75.72084	0.3
79.05482	1.9
85.02881	0.5
89.03908	11.0
91.05780	0.8
95.04948	0.5
100.07583	0.5
105.04523	0.5
107.04932	3.3
110.06068	0.4
117.03369	11.7
118.03711	0.3
129.06958	0.6
135.04404	24.0
138.05539	0.7
145.02831	16.6
146.03143	0.3
148.03925	2.5
148.75864	0.3
150.09032	0.5
151.09785	0.3
157.06458	0.7
162.09126	0.4
163.03885	100.0
164.04222	3.1
164.07056	0.4
166.04953	1.2
167.05563	0.5
176.03445	0.4
178.08636	0.3
179.09366	0.7
181.04970	0.3
185.05927	0.4
190.08562	0.7
194.04440	1.8
196.77773	0.3
202.08604	0.3
206.12799	0.3
207.08894	0.3
208.09744	0.4
212.05536	1.8
218.08086	0.5
220.09543	0.3
236.09154	2.2
254.10159	1.2
264.08633	5.6
282.09683	51.9
283.10089	2.3
301.11789	0.8
359.03021	0.4
383.16107	0.9
421.91037	0.3
444.13089	1.0
445.16190	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	444.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61890	2.0
53.03943	14.7
55.01863	2.9
57.03430	8.0
61.02925	10.5
69.03423	64.6
70.06632	2.1
71.04968	4.9
73.02909	8.4
73.04729	2.8
81.03409	69.9
85.02899	86.0
85.12952	1.9
87.04449	2.3
90.96384	1.9
91.05795	5.0
97.02330	3.2
97.02890	29.5
99.04449	14.9
103.03936	9.1
108.04444	6.6
109.02872	90.3
110.03185	2.6
123.04388	2.4
127.03906	100.0
128.04224	2.0
133.04958	4.1
139.03876	3.0
145.04947	23.6
163.03883	8.1
169.04953	26.2
187.05998	81.3
189.05434	2.0
193.04901	2.1
205.07053	99.1
206.07484	2.8
211.06032	2.3
217.05069	3.1
218.66953	2.1
227.73688	2.0
229.06932	4.7
235.05952	3.6
236.03818	3.8
247.08156	5.6
271.08026	3.8
282.09610	4.7
286.11984	2.2
295.08221	4.1
313.09247	3.2
355.10236	2.3
359.02734	3.0
391.11981	2.2
444.17673	4.0
445.16891	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
59.18959	0.9
63.75361	1.0
67.01859	2.8
69.03423	16.0
69.74647	3.5
71.04969	2.0
73.04748	5.2
81.03405	26.3
85.02896	17.4
85.94799	0.9
91.05788	8.4
97.02881	16.8
98.97597	1.6
99.04443	7.1
109.02863	100.0
110.03224	2.4
122.07162	1.8
127.03896	43.5
139.03931	4.2
145.04941	4.1
167.05522	3.4
169.04945	33.5
170.05272	1.4
174.27022	1.1
187.05995	25.4
205.07013	5.9
221.94714	1.0
223.55389	1.1
225.04306	2.0
227.19676	1.0
229.06900	1.5
236.74762	1.1
247.08073	10.6
248.50180	1.1
359.02713	8.2
444.15652	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.4
55.01856	3.0
55.55715	2.2
57.03422	7.9
57.07056	9.9
61.02920	10.2
69.03422	60.7
70.06579	4.1
70.78089	4.6
71.04973	9.6
72.21049	2.8
73.02902	9.4
73.04749	10.7
79.05479	2.5
81.02960	4.5
81.03409	63.6
85.02898	97.7
85.03416	5.0
85.06532	2.6
86.03236	2.5
89.03896	3.2
91.03809	2.4
91.05796	22.6
92.01096	2.1
94.63224	2.2
95.42218	1.9
97.02888	40.2
99.04440	17.3
103.03913	7.3
104.70588	1.9
108.04492	5.9
109.02874	84.1
110.03136	2.2
111.04443	4.4
115.03886	2.5
117.03344	2.3
123.04437	2.7
124.03934	5.3
127.03904	100.0
129.07018	2.4
133.04933	5.2
135.04382	7.7
139.03873	3.9
145.02893	4.4
145.04938	25.4
147.04416	2.2
151.03893	2.8
157.06380	2.3
163.03888	26.8
163.06053	3.9
167.05547	12.8
169.04951	26.5
187.06001	61.9
188.06250	2.4
196.03142	2.6
205.07051	79.2
206.07433	3.0
225.04259	5.4
229.07010	3.6
229.10657	4.3
247.08130	2.9
247.11690	4.5
271.08273	4.0
282.09607	13.6
295.08218	2.6
341.01062	2.3
342.99377	2.6
359.02701	13.1
444.18216	4.4
445.17340	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	444.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.4
55.05500	21.2
57.03418	21.8
57.21148	5.6
61.19854	5.8
61.95241	6.2
69.03406	15.1
71.00233	9.4
73.04722	8.0
73.06533	12.6
74.06075	18.2
79.82570	6.2
81.45927	6.4
83.04972	12.8
85.02906	36.0
86.09704	7.7
91.05822	11.3
97.02876	45.4
99.04463	6.7
101.06014	100.0
119.07024	31.7
127.03905	33.1
145.04927	26.1
147.04405	21.0
163.03917	25.1
231.83829	6.1
247.53331	6.8
256.95456	7.4
263.11185	10.7
359.02716	9.7
444.13333	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	445.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86404	2.1
64.26601	1.8
65.03951	3.1
69.10899	4.2
69.11297	12.0
73.04765	6.4
84.04502	6.1
85.02907	3.1
91.05839	14.3
95.04902	2.2
95.92763	2.4
107.04898	2.1
111.86313	2.4
119.05032	2.1
121.06491	3.3
125.05949	3.0
129.06970	2.7
130.05032	2.5
131.04922	2.3
131.08481	3.4
138.60811	2.0
144.05714	2.3
149.30757	1.9
159.08044	6.4
163.07545	5.0
167.05534	7.1
167.07043	9.3
167.08409	2.9
171.06485	3.4
178.07689	3.0
181.04967	21.1
181.06419	4.0
183.08102	2.7
191.08603	2.4
191.10686	3.5
194.07291	2.5
195.08009	4.8
197.09625	2.1
205.06473	3.3
206.07162	3.0
208.08943	2.1
210.06871	3.3
211.07520	3.0
213.16245	2.2
214.12224	3.1
220.08757	2.9
221.09592	15.0
222.06606	2.4
223.07518	7.6
223.11194	2.4
224.08191	5.1
225.09105	3.1
227.06914	3.6
234.06763	2.7
235.07532	4.2
235.09737	3.0
237.09135	6.6
238.09770	9.7
239.10580	2.5
240.07664	3.4
240.15031	2.5
249.09064	7.3
250.09830	3.3
251.07135	6.2
251.10670	3.6
252.07765	7.3
253.08516	9.9
253.12216	4.2
255.06573	5.4
255.17429	6.1
257.08044	6.5
257.11691	2.5
265.08514	8.8
266.09360	7.3
267.10098	6.8
269.08063	16.0
281.08051	6.7
281.11725	8.0
282.12268	2.5
283.06238	2.4
283.09622	9.6
285.07416	3.2
295.09824	2.7
297.07516	8.0
297.10898	3.0
298.08423	5.7
300.09933	20.5
309.11203	3.9
313.10635	100.0
313.14313	94.0
314.11169	5.2
314.14645	5.0
326.11386	7.1
341.13803	86.7
342.14261	3.7
343.16617	3.5
353.07910	2.6
359.02911	12.5
359.14871	12.4
385.12845	3.7
401.15765	2.8
427.13892	6.3
445.10086	2.3
445.15115	27.3
445.20938	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	445.2042
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
56.04998	0.5
58.40182	0.5
69.03379	0.4
70.20130	1.2
71.98162	0.4
73.04716	1.8
74.12055	0.4
79.05464	0.6
86.09657	1.5
89.03883	0.9
89.72849	0.5
91.05740	1.8
117.03312	1.1
118.03720	0.7
118.07303	0.5
129.07024	3.4
130.07292	2.0
135.04398	2.7
136.04720	1.2
139.37042	0.4
145.02814	1.7
145.06462	0.8
146.03171	0.7
147.04361	1.9
157.06491	2.5
158.06822	2.2
163.03874	8.7
164.04214	4.5
167.05507	1.3
185.05978	1.5
186.06326	0.9
189.05507	0.5
191.10382	0.9
193.70401	0.5
201.05415	0.5
202.05762	0.8
220.09641	1.4
221.09976	1.2
259.07867	63.1
260.08173	2.0
264.08597	1.5
265.08957	1.3
282.09641	2.8
283.10001	4.6
357.31845	0.6
359.02780	1.3
387.16214	22.5
388.16718	1.3
427.19281	1.0
445.20416	100.0
446.14597	0.8
446.20776	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	445.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03927	0.2
53.07897	0.1
53.73293	0.1
55.01864	0.2
55.05497	0.4
65.03911	1.0
66.04685	0.2
67.05495	1.3
69.07063	0.2
75.04474	0.9
77.03916	0.4
78.04702	0.8
79.05483	2.6
80.06263	1.2
81.03403	0.3
81.07056	0.8
83.04987	0.1
89.03916	0.6
90.04680	1.0
91.05459	7.1
92.06287	0.2
93.03368	0.3
93.07020	1.7
94.04208	0.2
95.04945	1.8
95.08600	0.6
103.05450	1.1
104.69551	0.1
104.93349	0.1
105.03368	0.7
105.04497	0.7
105.05506	0.3
105.07013	2.6
106.04150	1.2
107.04939	8.8
107.08569	0.5
108.05737	4.9
109.06522	1.7
109.10111	0.2
109.58168	0.1
115.05418	0.9
116.06216	0.3
117.06995	1.7
118.04128	0.6
119.04957	0.8
119.06049	0.3
119.08559	1.1
120.05692	0.8
121.02810	0.5
121.06490	4.6
121.10081	0.2
122.07245	0.5
123.04420	0.9
123.08040	1.7
125.05933	0.2
128.06197	0.6
129.06972	1.2
131.04893	1.1
131.08548	1.2
132.05669	0.4
133.06471	1.8
133.10149	0.3
134.07263	0.3
135.04398	3.8
135.08038	2.4
136.05176	12.1
137.05959	3.6
137.09578	0.3
138.06750	1.6
139.07553	1.1
141.06940	0.4
143.04886	0.3
143.08499	0.6
144.05656	0.5
145.06458	2.6
145.10081	0.6
146.07248	2.0
147.04382	0.4
147.08029	2.8
148.05167	7.8
149.02345	0.4
149.05989	2.1
149.07063	0.3
149.09584	0.5
150.06752	2.7
151.04073	2.4
151.07516	100.0
152.04553	0.2
152.07838	2.9
153.05377	0.4
153.09071	1.1
155.08560	0.4
156.05635	0.3
157.06461	1.3
157.10161	0.3
158.07251	1.6
159.04395	0.4
159.08032	3.0
159.11713	0.2
160.05174	0.3
160.08839	1.2
161.05968	3.2
161.09564	0.7
162.06808	0.9
163.07520	4.6
164.08293	2.6
165.05446	1.7
165.09091	11.4
166.06232	21.7
166.09612	0.6
167.07016	3.2
168.07805	0.7
169.06474	0.2
169.08728	0.3
169.10001	0.2
170.07181	0.2
171.08037	3.1
171.11609	0.1
172.08815	1.9
173.05971	3.4
173.09557	0.8
174.06734	2.7
175.07501	1.9
176.08282	2.6
176.09726	0.3
177.05479	0.6
177.09084	11.5
178.06195	0.5
178.09648	0.5
179.06999	1.2
179.10641	3.7
180.07761	2.1
181.08565	68.7
182.08920	2.3
183.10086	0.6
183.11620	0.2
184.08809	0.2
185.09590	0.5
185.13249	0.2
186.06705	0.4
186.10379	0.9
187.07510	3.7
188.08310	5.1
189.05516	0.4
189.09071	7.0
190.09846	1.6
191.07005	0.5
191.10638	4.6
192.07774	0.5
192.10939	0.3
193.04909	0.4
193.08574	5.1
194.09297	0.9
195.10126	5.1
196.10368	0.2
201.05350	0.2
201.09085	5.0
202.09857	4.8
202.11752	0.2
203.07140	0.8
203.10632	10.0
204.07755	0.6
204.11064	0.4
205.08566	1.0
206.09348	0.4
207.10118	2.8
208.10587	0.2
209.11679	0.5
215.10608	1.5
216.11369	1.4
217.08620	0.6
217.12199	5.2
218.09297	0.8
218.12592	0.2
219.10120	2.1
221.11653	1.6
227.10522	0.2
229.12206	0.2
231.10156	1.0
232.10893	0.5
233.11691	2.8
241.12207	0.2
247.10997	0.2
247.13274	2.1
261.12793	0.2
262.13391	0.3
263.10510	0.2
275.10788	0.2
279.13690	0.2
289.12115	0.3
290.12814	0.3
291.10376	0.2
293.15405	0.7
306.12030	0.2
307.13168	0.6
308.13977	0.2
311.16107	0.2
321.14865	1.1
322.15594	0.7
323.12775	0.4
323.16272	0.5
337.14212	0.2
338.15039	0.5
339.15762	0.8
340.16605	0.3
341.06799	0.2
352.16434	0.2
353.13235	0.1
353.17422	2.9
353.24637	0.4
354.18192	6.6
355.15051	0.4
355.18918	0.9
359.38751	0.2
370.17679	26.7
371.18121	1.8
371.25681	0.6
383.18384	0.6
385.20016	27.6
386.20349	2.2
389.26837	0.4
403.21213	0.9
409.19931	0.2
427.21188	0.3
429.11765	0.4
445.23203	0.3
445.29321	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.1
56.05027	0.9
57.03429	0.7
57.05811	1.3
65.27712	0.5
68.83088	0.5
70.06577	0.7
70.11337	0.6
70.60719	0.6
70.61051	0.7
72.08150	100.0
73.02911	1.7
73.04749	7.7
73.08495	1.4
79.05483	0.6
84.04500	11.2
85.02905	1.3
86.06058	5.2
86.09687	0.6
91.05804	19.0
93.03708	0.6
96.08141	0.6
100.07619	0.6
102.05529	3.6
109.21178	0.5
114.05515	6.6
116.07107	1.2
119.04918	3.2
131.04913	1.2
133.11015	0.6
135.04324	0.5
143.11789	5.9
144.06552	9.3
147.04393	11.9
149.04521	1.7
152.07091	1.6
157.09781	0.7
162.07613	17.1
163.03911	2.8
163.07491	0.6
163.38704	0.6
164.04305	1.1
167.05554	8.3
171.11276	1.5
175.88330	0.6
177.05559	1.5
185.09203	24.0
225.04268	3.1
227.02402	0.6
238.15466	0.5
256.16534	14.2
256.19141	1.0
261.14392	6.3
261.16519	0.5
275.36435	0.5
283.10056	1.2
284.16022	7.1
284.18890	0.8
316.09024	0.6
324.98666	0.6
341.01974	0.9
342.99808	2.1
359.02850	13.8
360.02991	1.0
386.28192	0.6
415.13531	0.8
429.08691	1.4
433.05536	0.6
445.09497	0.9
445.14841	4.4
446.15182	0.7
446.20654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03926	2.0
55.01872	4.1
55.05507	19.6
57.03423	2.7
57.07069	0.8
58.33487	0.5
59.04988	0.6
62.20668	0.5
63.67979	0.5
65.03934	4.3
66.04689	0.6
67.05497	54.3
68.05824	1.1
69.03413	1.5
69.07058	15.5
71.04985	3.0
73.04776	0.5
77.03915	1.8
79.05483	45.2
79.39576	0.6
81.03403	1.7
81.07047	46.0
82.07383	0.8
83.04986	3.6
83.08616	8.7
85.06531	2.7
91.05467	62.8
93.07034	42.3
94.07342	0.7
95.04962	12.0
95.08595	26.5
96.73132	0.5
97.06527	5.0
97.10156	3.4
99.08100	1.2
103.05450	2.8
105.04517	2.8
105.07017	54.4
106.07359	1.3
107.04932	4.6
107.08579	20.6
109.06506	7.1
109.10149	10.1
111.04433	0.6
111.08040	1.7
113.05935	0.7
115.05460	3.4
116.06240	2.2
117.07005	29.4
119.04970	0.8
119.08564	34.1
120.08913	0.6
121.06488	5.8
121.10121	11.8
123.08064	2.5
123.11685	1.6
125.09621	1.5
128.06198	5.4
129.05536	0.7
129.06990	21.3
130.07738	1.6
131.08549	43.9
132.08842	0.8
133.06444	2.9
133.10110	17.2
135.08041	4.4
135.11673	5.8
137.05937	0.7
137.09636	1.9
139.11162	0.7
141.06982	8.1
142.07774	3.2
143.08545	20.3
144.09351	0.5
145.06497	3.6
145.10107	24.3
147.08046	4.2
147.11679	6.6
149.09610	3.1
149.13258	1.3
151.11185	1.9
153.06972	1.2
154.07716	0.9
155.08542	9.0
157.06490	1.4
157.10109	11.5
159.08075	2.4
159.11670	9.6
161.09673	2.7
161.13234	2.0
163.11188	1.5
167.08577	4.0
168.09291	0.8
169.10110	8.7
171.08095	1.3
171.11665	7.7
173.09599	2.2
173.13248	5.1
175.11154	1.5
175.14807	0.8
177.12752	0.7
179.08537	1.1
180.09322	0.7
181.10081	5.9
182.10826	0.9
183.11658	6.2
185.09561	0.7
185.13226	5.4
187.11171	1.4
187.14838	3.5
189.12747	1.2
194.04161	0.5
195.11711	3.5
196.12399	0.8
197.13208	5.3
198.13647	0.6
199.07353	0.6
199.11133	0.9
199.14754	3.6
201.12698	1.7
201.16330	1.5
205.12262	1.1
207.11649	0.7
209.13231	3.9
211.14746	3.8
213.12679	1.7
213.16316	1.3
215.14346	1.6
217.15883	1.2
219.13786	0.9
221.13307	1.0
223.14781	3.7
225.16341	2.0
227.14284	1.5
227.17929	1.1
229.15869	1.8
231.17354	0.9
233.15396	2.0
235.14861	0.9
235.17024	0.9
237.16406	2.3
239.17877	0.9
241.15880	1.5
243.17577	0.9
245.15390	1.0
245.19044	0.7
247.16882	3.6
255.17390	1.9
257.18900	0.8
259.16779	2.5
261.18506	2.1
269.18964	0.9
273.18454	2.1
275.20123	1.0
287.19983	0.7
325.25223	3.7
333.20569	0.7
335.23618	5.4
343.26294	5.3
353.24661	16.0
354.24957	1.2
371.25732	18.1
372.26004	1.3
389.26794	16.2
390.27362	0.9
427.28250	3.2
440.73398	0.5
445.29434	100.0
446.29800	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06303	1.4
53.03936	3.4
55.01867	3.3
55.05508	16.0
57.03433	3.5
57.07069	2.2
65.03940	2.9
67.05502	44.7
69.03413	2.3
69.07063	14.7
74.72343	1.9
79.05485	38.1
81.07048	39.2
83.04962	3.9
83.08616	7.5
85.06511	2.0
85.95168	1.5
89.30768	1.4
90.40460	1.8
91.05467	54.2
93.07043	38.0
95.04986	11.6
95.08598	23.3
97.06547	3.2
97.10122	3.2
98.23428	1.9
103.05470	3.2
105.04530	2.3
105.07019	50.8
107.04948	2.9
107.05629	2.1
107.08581	14.3
109.06512	4.4
109.10178	8.5
115.05411	2.9
117.07011	22.5
119.08567	31.6
121.06490	6.0
121.10126	9.8
123.08035	3.9
125.54855	1.7
128.06168	3.0
129.07019	18.2
130.07787	1.7
131.08543	35.1
131.09462	2.5
133.06458	2.5
133.10095	11.4
135.08038	3.8
135.11703	4.5
137.09576	2.4
141.07011	5.3
143.08553	15.7
145.06461	2.7
145.10094	19.0
147.11699	4.9
149.09621	2.8
155.08566	8.1
156.09056	1.6
157.10144	10.6
159.11685	9.5
161.09651	2.8
161.13194	1.9
167.08600	1.9
169.10109	8.4
171.11694	7.1
173.13275	3.7
181.10117	4.0
183.11710	4.8
185.13199	2.5
195.11682	3.2
197.13258	4.5
199.14882	3.1
201.12802	2.4
203.14301	2.4
209.13281	3.9
211.14821	3.3
213.16444	2.1
217.15904	2.1
223.14740	2.8
225.16359	1.9
227.14345	2.3
232.29163	1.5
247.16991	4.4
259.16934	4.1
261.18268	1.6
325.25250	3.1
326.94556	2.3
335.23727	5.6
343.26413	3.5
353.24728	16.2
371.25726	16.3
389.26849	17.1
405.52121	1.7
409.27457	2.6
427.28790	2.8
441.00586	1.9
445.29443	100.0
446.29974	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	445.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42120	4.0
54.05424	4.4
55.05506	8.0
67.05516	8.1
69.07057	18.9
69.53905	4.2
70.09283	11.4
81.07038	6.4
83.08595	7.0
91.05827	4.7
91.75271	4.2
95.08598	9.5
97.10155	5.2
98.23463	5.8
109.10144	5.0
119.08548	8.4
135.08043	5.7
137.09610	7.8
141.33435	4.3
149.09633	13.0
163.11156	7.3
165.09099	100.0
175.11253	6.2
177.09113	6.2
191.10617	6.9
203.10571	6.2
205.12144	10.7
228.86906	4.3
466.30905	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28694	2.0
69.29094	3.9
73.04762	3.0
73.62263	0.9
91.05804	7.8
92.05698	1.0
92.06213	1.2
95.04974	1.7
97.88081	0.8
98.23438	2.1
103.05452	45.3
120.49297	0.8
131.04915	100.0
132.05251	2.9
135.04404	1.1
136.29405	0.9
147.04384	2.2
163.03914	2.6
163.07527	38.3
164.07961	1.3
167.05569	2.8
197.21220	0.8
205.09686	0.8
216.97913	1.0
225.04358	1.0
226.04277	1.5
242.14461	1.2
284.11407	1.2
359.02841	2.0
360.02921	4.5
361.02448	0.9
376.81812	1.0
446.15063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.5
55.01877	11.3
57.03424	7.2
61.02921	6.6
68.99782	3.2
69.03425	33.6
70.06586	6.0
71.04963	4.4
73.02906	9.7
81.03413	29.3
85.02901	100.0
85.03418	5.0
87.00832	34.3
93.07058	3.6
97.02890	44.9
99.04433	18.8
103.05495	6.2
105.01855	37.4
109.02876	38.0
115.03967	2.8
117.01849	4.2
121.06503	15.1
127.03905	83.9
129.01820	4.1
135.08069	2.0
140.04677	16.0
145.04951	54.3
145.14200	2.2
147.02943	5.6
149.05998	12.8
153.05432	10.4
155.54134	2.5
159.02861	29.2
167.14902	2.0
177.03920	2.4
181.08586	73.5
189.04034	3.1
205.08583	6.9
218.59447	2.5
231.04950	16.3
318.25360	2.2
389.33716	2.2
405.10263	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
54.47407	5.3
69.03424	19.4
69.48272	22.8
70.06593	10.0
73.04752	9.3
80.97995	5.3
81.03413	14.8
81.07030	6.5
85.02895	69.2
86.09690	14.8
91.05844	6.2
97.02879	19.0
99.04446	43.8
103.03934	71.1
109.02873	10.6
111.88336	4.7
127.03899	100.0
127.04758	8.8
128.50621	4.7
129.30696	5.0
145.04950	76.6
163.03954	6.1
163.05984	35.9
163.11093	5.4
167.05614	7.3
176.04637	4.9
269.04697	6.1
289.09106	7.5
360.18076	5.5
446.15259	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	447.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74612	0.6
55.98806	0.6
56.96557	33.3
71.43149	0.7
71.78550	0.6
73.04732	3.2
74.35659	0.8
74.97619	1.8
83.97635	0.9
91.05786	6.5
92.05661	0.8
132.08026	1.3
138.05383	0.6
142.49648	0.6
146.05989	0.8
149.02322	2.0
165.70747	0.6
167.05573	3.1
174.02263	19.0
188.03795	5.0
192.03300	45.1
193.03671	1.8
204.03305	2.3
206.04861	16.0
206.06810	0.8
207.01953	1.1
208.02802	1.0
210.04341	9.9
215.04892	22.3
216.03294	1.2
216.05193	1.3
217.06467	24.2
218.04947	0.9
218.06920	0.8
220.02652	3.1
222.04356	4.9
224.05928	4.1
231.04399	2.3
233.05936	17.1
234.04276	1.3
234.06361	1.0
235.07500	21.8
238.03818	2.5
240.05417	1.4
243.04344	8.0
247.03899	2.2
249.05531	1.6
250.03644	0.7
261.05435	100.0
262.05859	4.0
279.06482	76.3
280.06793	4.0
284.07025	1.6
305.04297	0.8
316.05981	10.8
334.07147	3.1
361.02615	4.9
374.27652	0.6
386.11658	3.1
402.11157	17.6
403.11221	0.8
404.12622	0.8
430.10709	18.5
431.10376	2.2
447.13342	33.6
448.12555	4.4
474.65738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00616	1.3
53.00995	1.1
56.18412	1.2
63.02376	1.0
69.03427	1.7
70.06580	2.5
71.43802	1.1
72.08144	1.1
73.04743	2.4
74.61119	0.9
79.05499	1.0
81.03415	3.3
85.02894	2.5
86.09691	3.0
89.03907	7.7
91.05785	5.3
95.83900	1.0
98.40982	1.1
99.38152	1.1
107.04961	2.5
108.15375	1.1
114.06279	1.1
117.03368	6.8
126.74451	1.2
127.03886	1.4
130.53146	1.0
135.04402	14.4
145.02838	10.0
149.02328	2.8
163.03889	100.0
164.04254	2.7
167.05516	2.0
181.04851	2.3
250.11534	1.1
307.08081	2.8
325.09207	3.7
361.02643	3.2
447.17551	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	447.1624
Annotation	Gefitinib
Peak:m/z	Relative Intensity
55.05500	0.6
65.90589	0.4
67.05501	0.6
69.03431	1.2
69.63126	1.3
81.03439	0.8
81.07070	0.8
85.02888	0.9
85.14063	0.4
93.07043	0.5
95.08616	0.5
97.02874	0.5
100.11255	1.0
105.07032	0.5
127.03965	0.4
133.10138	0.6
138.83417	0.4
182.15456	0.6
185.04160	0.5
199.14792	0.6
201.03702	0.9
203.05284	0.6
210.14865	0.4
222.94040	0.5
249.14775	0.5
268.10693	1.0
269.07950	1.1
269.11511	1.9
270.08606	0.8
284.10089	0.7
285.10931	5.3
297.73395	0.5
356.45679	0.4
447.16208	100.0
448.16428	6.9
467.68204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.1
69.03442	2.7
71.08611	6.6
71.29440	2.6
79.05482	9.4
82.06580	5.5
83.04971	4.0
83.08604	9.6
86.09689	2.4
88.11244	5.1
91.05479	9.1
93.07049	8.0
95.04968	9.0
98.22691	9.0
100.07607	9.0
100.11252	41.3
103.05453	9.8
105.07031	3.1
107.04946	29.6
107.08563	3.6
111.04431	12.1
112.07638	5.0
117.05435	2.5
121.06493	9.5
123.04418	6.0
124.05235	3.6
128.06178	7.7
128.07082	8.3
129.06982	27.0
131.04919	8.9
131.08549	14.5
137.05956	12.3
141.11519	3.6
145.06497	5.3
149.02327	6.1
151.03813	3.1
151.07509	7.3
153.05429	8.1
155.07083	3.2
157.06473	28.1
159.08049	2.9
161.05956	23.0
161.09669	14.7
163.07539	7.7
165.07083	4.5
166.06207	5.0
166.07762	3.2
167.05659	2.6
167.07028	46.2
167.08400	5.0
170.15366	16.4
174.06706	14.9
175.07607	8.4
177.09207	2.8
179.07057	4.5
181.06480	2.6
181.07065	4.0
181.08580	33.5
182.15376	25.5
187.07628	3.1
189.07303	4.8
189.09079	100.0
190.09497	3.4
191.10687	4.9
194.07230	6.5
195.08031	11.0
198.14891	11.6
203.10645	3.5
209.16481	9.5
210.14833	31.0
212.08360	3.2
219.08078	5.9
221.06001	2.9
223.07527	8.3
223.11110	5.0
225.05647	4.3
225.09149	4.3
227.17474	3.3
228.16072	2.9
233.09673	3.5
235.07506	4.9
236.08243	6.3
239.06918	3.3
240.07706	8.7
241.08665	3.7
251.06937	5.4
251.10629	5.5
254.09518	3.8
255.10136	7.9
267.06348	4.5
268.21439	3.7
279.10110	8.8
283.09610	15.7
283.13293	10.3
293.10236	4.3
296.10495	3.4
297.11115	4.4
302.11435	4.5
311.12521	13.5
315.12244	35.1
325.74792	4.0
326.28033	6.5
331.74799	3.5
343.15411	20.2
361.02667	5.4
375.29709	10.6
403.02457	2.7
411.05209	3.3
411.14346	8.9
429.16010	3.5
438.83029	4.3
440.67538	2.9
447.16409	5.9
455.80615	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2014
Annotation	Effuside I
Peak:m/z	Relative Intensity
53.03949	0.8
54.54094	0.6
55.01868	0.8
61.02909	1.3
69.03423	4.8
73.02929	0.8
73.04765	1.0
81.03413	1.5
85.02914	6.0
87.04464	1.2
88.69687	0.7
89.85407	0.7
91.05785	1.1
97.02885	3.3
99.04498	0.8
108.06178	0.7
127.03922	2.0
145.04945	0.9
149.02350	1.0
157.09962	0.7
163.49809	0.8
165.06985	1.2
167.08484	0.9
169.10066	1.0
178.07867	0.9
179.08559	2.5
179.74380	0.7
181.10078	1.9
187.78012	0.7
191.08578	2.4
192.09341	3.2
193.10187	2.0
195.08054	0.9
195.44836	0.8
206.10822	3.9
208.08806	3.8
209.09583	3.0
211.07472	1.5
211.14761	1.2
216.09314	2.7
219.08031	3.5
220.08780	2.7
221.09625	2.5
221.13226	10.6
223.07564	1.0
226.09918	5.3
231.11716	1.6
234.10504	4.1
237.09093	1.0
238.09862	6.2
239.10614	4.0
239.14261	1.4
249.12726	17.8
250.13176	1.0
252.11426	2.8
265.74875	0.7
267.13766	28.2
268.14063	0.9
285.14832	100.0
286.15158	5.4
351.82465	0.9
447.20728	5.5
447.26514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25027	2.3
55.05499	11.5
57.03432	11.9
57.07078	3.8
63.41655	2.5
65.03933	3.7
66.54053	2.4
67.05499	46.6
69.07058	12.5
70.06568	8.0
70.94195	5.4
73.08526	2.3
79.05482	24.5
81.07051	63.5
83.08604	6.1
91.05479	12.1
93.07031	34.5
95.04957	3.7
95.08591	50.5
97.06484	3.4
98.53548	2.5
105.07013	13.5
107.08578	23.9
108.37789	2.2
109.06452	3.6
109.10151	20.1
113.00008	100.0
117.07032	4.2
119.08576	12.2
121.10146	13.3
123.11690	9.4
124.31802	2.3
131.08537	9.1
132.10190	4.1
133.10114	7.3
135.11684	11.6
142.87535	2.7
145.10104	7.3
147.11649	6.4
149.13251	7.0
159.11674	4.6
161.13245	5.4
163.14793	3.7
169.02599	17.6
173.13258	4.7
180.23074	2.3
187.03647	9.6
243.21031	8.5
261.22128	21.8
309.74402	3.1
317.24780	9.2
335.25793	96.4
336.25919	5.0
340.35886	3.1
384.38199	9.5
385.38516	5.2
446.23499	2.5
446.42084	21.2
447.42316	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	448.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
57.03416	0.3
57.73487	0.3
69.03416	0.7
69.21976	1.7
70.06561	0.6
73.02900	1.1
73.21322	0.3
81.07044	1.4
81.64237	0.3
85.02885	0.7
97.02890	1.2
97.05237	0.4
98.06064	0.7
98.09722	0.4
105.03371	0.7
108.08125	0.6
109.06499	1.4
110.06018	0.8
111.06815	0.6
122.07161	0.8
126.09175	0.7
139.06276	0.7
151.03911	2.8
154.08612	100.0
155.08951	2.4
191.07039	0.4
223.93639	0.3
245.84610	0.3
271.04495	0.4
287.05423	0.5
316.13922	0.6
362.03015	0.4
404.13184	0.5
448.11877	1.1
448.17307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.4
55.01870	11.6
57.03433	7.9
60.97287	1.9
61.02914	6.2
61.49858	2.0
65.29320	2.0
68.09021	2.0
68.99767	4.9
69.03427	40.1
70.06588	3.1
71.04995	6.0
73.02919	10.4
73.97035	2.2
81.03413	34.3
81.04530	4.2
85.02900	100.0
86.03234	3.3
87.00832	37.1
91.03971	4.1
93.07036	4.7
95.04983	6.6
97.02887	40.2
99.04459	16.6
105.01868	45.4
105.07024	6.4
107.08636	2.7
108.04514	2.8
108.08949	2.5
109.02866	32.0
109.10177	3.3
115.03882	2.7
117.01846	4.1
122.07129	15.9
124.44173	2.0
127.03908	65.2
129.01875	3.6
130.13951	2.0
133.06497	8.9
136.12018	4.1
137.05980	23.0
140.08157	3.3
145.04935	32.2
147.02901	3.0
147.04401	5.2
149.02333	2.6
151.07549	7.9
153.12746	2.6
154.08664	13.1
159.02873	24.7
161.06013	4.6
163.07536	4.9
165.09106	9.5
166.73212	2.5
169.06474	2.4
175.07526	3.0
181.06448	2.1
183.10165	7.9
189.09148	9.0
191.03198	2.1
207.10136	10.3
213.04056	2.4
225.11168	10.7
225.71034	2.1
231.04958	19.6
248.07755	3.3
249.11302	6.7
273.11096	17.9
274.11469	2.4
287.05539	3.6
291.12228	15.4
298.81326	2.9
301.00516	2.1
448.16949	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	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60733	4.2
55.01857	6.0
55.05508	4.5
59.87613	4.6
67.05498	18.0
69.03418	21.6
69.07057	21.1
69.78021	7.0
69.78378	14.0
71.04947	5.3
79.05479	30.5
81.03419	7.5
81.07057	27.4
83.04983	46.6
83.06033	4.6
85.02898	17.0
85.06519	7.1
86.09707	9.1
91.05462	23.3
93.07040	42.2
95.04969	23.8
95.08610	8.1
97.02886	9.5
97.06520	42.3
99.04458	13.8
105.07024	60.3
106.06525	5.8
107.04947	16.7
107.08592	29.5
109.06504	33.7
117.07016	17.7
119.04919	24.4
119.08598	24.7
121.06490	45.6
121.10137	10.8
123.08039	8.6
125.05984	60.0
127.03893	9.3
127.07545	13.6
128.06203	6.7
129.07007	9.4
130.07756	5.8
131.08536	19.5
133.06491	9.3
133.10133	11.4
135.08073	6.3
137.05940	12.7
139.07547	19.0
143.06992	44.5
143.08583	11.7
145.06429	8.6
145.10130	96.9
147.11613	24.3
151.07503	13.2
155.08482	7.0
157.08583	25.0
158.07286	5.3
159.08011	6.9
159.11668	49.6
163.11159	81.4
164.11313	5.1
169.10085	11.7
173.09587	50.7
173.13274	10.1
177.12749	19.9
187.11182	64.5
189.12602	6.4
191.10727	24.2
197.09589	15.6
205.12227	67.7
209.11755	7.8
215.10677	90.5
223.13193	13.5
233.11719	100.0
251.12775	49.8
251.15192	5.7
251.16513	8.4
269.13858	38.6
287.05472	17.8
428.20795	5.4
430.06256	5.2
449.13751	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	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.4
55.05493	6.0
57.82790	5.1
59.51816	5.1
61.85276	4.6
67.05509	8.9
69.03416	8.1
70.06603	6.1
70.50117	8.1
70.50439	5.3
72.08176	5.4
79.05488	15.1
83.04971	17.9
85.02892	7.0
90.89545	4.6
91.05460	13.1
93.07038	14.4
97.02895	8.7
97.06514	19.8
105.07025	21.2
107.04980	12.6
107.08585	8.8
119.08545	5.8
121.06504	16.4
125.06008	28.8
133.04984	10.6
134.69310	5.4
137.09633	5.1
143.07028	29.7
145.10133	48.9
149.02306	5.4
159.11736	9.8
163.03978	5.6
163.11159	100.0
169.10027	6.3
173.09630	26.2
177.12775	6.5
187.11160	26.0
191.10631	33.0
205.12216	12.9
215.10637	22.1
216.00691	6.8
233.11717	56.9
250.10777	5.5
251.12920	9.7
269.13959	9.8
295.05896	10.8
296.06302	8.1
308.33621	5.6
349.00107	5.0
411.04639	5.5
434.31403	5.7
449.31122	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	448.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01866	5.1
55.05513	14.4
57.03431	6.8
61.02939	2.7
67.05510	14.9
68.99786	3.0
69.03429	15.1
69.07061	6.0
69.23888	5.6
69.24310	9.8
71.04984	24.6
79.05493	15.0
81.03416	9.1
81.07055	34.9
81.41803	2.5
83.04980	8.2
83.08617	4.0
85.02898	47.8
91.05483	10.4
93.07019	14.6
95.04982	12.9
95.08598	12.0
97.02893	14.8
97.06533	6.0
97.10155	19.2
99.04456	3.5
103.05444	2.7
105.07026	29.8
106.02926	3.3
107.04953	2.6
107.08588	26.3
108.08949	3.4
109.02864	7.9
109.06509	14.6
109.10149	29.5
111.04430	16.0
115.03877	2.5
117.07050	4.0
119.08567	21.5
121.06494	9.7
121.10105	3.1
123.04379	4.9
123.08038	4.9
124.03963	9.1
125.05991	9.7
125.09643	32.3
127.03917	6.0
128.06203	4.6
129.05447	4.3
129.07014	4.5
131.08546	14.7
133.10141	8.2
135.04396	3.8
135.08060	8.8
137.02406	4.7
137.05984	8.5
137.09578	2.9
141.09193	2.8
142.07803	6.1
143.07112	3.1
143.08522	7.0
145.10123	15.4
147.08025	4.1
147.11646	13.4
149.09621	5.6
149.13344	3.1
153.01796	3.1
157.10153	13.2
159.07901	2.5
159.11678	26.0
159.20195	2.9
161.09654	10.6
161.13232	3.5
163.03922	7.2
163.07544	2.9
163.11197	6.9
169.10046	3.7
175.11180	22.3
176.11559	2.9
177.05516	3.2
177.12772	9.2
187.11217	7.6
187.14845	7.6
189.12708	5.1
193.12289	5.5
197.13159	3.8
202.81531	2.5
205.12215	33.0
208.14023	2.6
215.14281	17.6
223.13278	91.9
229.04868	4.4
233.11644	7.1
233.15440	14.7
241.14333	59.3
251.12758	38.3
251.16534	5.6
268.08102	5.4
269.13837	28.9
287.05347	3.0
303.04965	100.0
393.09897	2.6
408.22372	2.4
456.07608	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	448.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.2
64.94251	5.8
65.03966	5.8
67.05501	16.4
69.03399	11.1
70.39042	6.2
70.39375	12.3
72.02568	6.7
79.05485	13.1
81.03394	6.4
81.07044	56.4
83.04987	10.4
85.02908	24.1
85.06514	11.8
91.05475	20.5
93.07024	14.4
95.04981	30.7
95.08602	23.9
97.02867	7.9
97.06526	15.9
105.07013	100.0
107.08593	34.9
109.06466	9.4
109.10158	36.0
115.05431	5.0
117.07028	19.1
119.04964	6.3
119.08562	42.5
121.02850	18.1
121.06520	9.1
121.08610	4.9
121.10140	9.5
122.07178	11.5
125.05965	42.9
129.06949	7.0
131.08557	34.5
133.10133	24.5
135.08029	7.1
136.80367	5.6
137.09654	7.0
142.07776	13.8
143.08566	16.4
145.10095	45.1
145.11032	5.4
147.04387	17.9
147.11668	65.6
157.10100	35.1
158.10884	6.9
159.08075	9.5
159.11635	51.6
160.41882	5.9
161.09605	55.4
161.13208	11.2
163.03937	12.0
169.10106	6.3
173.13252	8.3
175.11171	64.8
182.10854	7.6
187.14796	49.6
189.12775	18.5
193.12184	8.8
197.13248	13.0
205.15897	11.4
215.14272	67.4
233.15309	79.4
233.17593	6.4
251.16513	17.4
287.05411	14.2
345.04022	5.7
355.18515	6.2
376.06900	5.3
380.84036	6.3
387.70267	5.7
448.16852	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	448.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.1
57.07106	3.9
67.05506	10.1
67.92126	4.9
69.03441	10.7
69.07067	6.1
70.73437	8.0
72.37708	4.0
79.05486	11.7
81.03428	8.6
81.07041	34.4
85.02908	17.8
85.06542	6.1
91.05467	19.4
93.07050	21.4
95.04967	12.0
95.08617	16.3
97.02882	6.9
97.06513	21.5
99.04437	4.5
105.07027	53.7
107.08601	33.8
108.51259	4.2
109.02875	8.1
109.06520	22.7
109.10168	15.0
110.06059	14.7
111.08089	6.7
114.20708	3.6
117.03323	4.6
117.07014	10.2
119.08567	34.0
121.06506	8.8
121.10143	20.4
123.08104	5.8
127.03941	11.1
131.08560	24.8
133.10115	25.7
135.08092	7.8
135.11691	6.5
136.07576	6.8
137.05956	4.1
137.09595	6.1
140.06964	4.0
142.07785	15.3
143.08536	8.3
145.02847	8.2
145.10138	59.5
145.61255	3.6
147.08098	4.3
147.11670	59.8
149.09621	9.3
155.08591	4.9
156.09340	3.9
157.10110	31.7
159.08070	5.4
159.11650	24.4
161.09636	8.4
161.13245	5.3
163.11160	4.6
163.26733	3.9
163.95389	3.8
164.07062	5.0
171.11617	9.0
172.92982	3.7
173.09645	8.8
173.13301	20.5
175.11201	35.0
175.14748	5.4
177.05455	12.5
177.16417	13.0
182.10898	5.6
187.14787	48.4
193.12227	9.1
194.05240	3.8
197.13307	14.3
203.14258	7.7
205.15837	39.8
215.14301	37.4
233.15343	100.0
234.15892	3.8
251.16412	26.1
275.00568	3.7
287.05460	9.2
347.71951	4.7
448.16101	4.0
449.18253	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	448.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.8
57.03408	2.8
59.04420	2.5
59.05001	3.9
59.98775	2.2
67.05506	7.2
67.55197	2.3
68.70277	2.6
69.03430	2.9
69.07052	6.6
70.06605	2.4
71.40883	3.5
79.05472	4.2
80.72666	2.1
81.07059	11.1
81.34637	2.4
85.02901	7.3
85.06545	8.4
91.05477	4.1
93.07037	16.2
95.04955	3.2
95.08590	18.4
97.02927	3.0
97.06535	7.1
105.07024	39.0
107.08600	18.1
109.06495	6.5
109.10165	6.7
111.08098	3.7
119.08606	16.2
121.06491	7.7
121.10123	18.0
123.08041	19.8
125.09579	4.4
127.04002	3.5
131.08594	13.8
133.10127	13.5
135.08057	8.2
135.11717	5.3
145.10124	50.9
147.11676	79.1
148.12033	3.0
149.09615	3.7
149.13272	3.0
157.10088	5.5
159.11693	11.2
161.13240	4.1
163.11125	6.6
173.13269	3.3
175.11206	27.0
175.14890	7.7
177.16402	14.6
181.08624	9.2
187.14787	42.9
187.16336	4.0
188.15099	2.9
191.10709	3.2
193.12254	9.8
193.15845	4.7
201.16319	3.7
205.15852	65.8
205.17667	4.0
206.16200	6.5
209.11742	14.6
215.14337	5.0
222.02144	4.1
223.16956	19.1
233.11845	3.6
233.15352	29.5
251.12566	7.0
251.16400	100.0
252.16760	4.3
268.76483	2.6
269.13916	14.1
286.10992	3.1
287.05511	11.3
448.16470	6.6
448.22449	7.2
449.15332	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	448.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.1
57.07106	3.9
67.05506	10.1
67.92126	4.9
69.03441	10.7
69.07067	6.1
70.73437	8.0
72.37708	4.0
79.05486	11.7
81.03428	8.6
81.07041	34.4
85.02908	17.8
85.06542	6.1
91.05467	19.4
93.07050	21.4
95.04967	12.0
95.08617	16.3
97.02882	6.9
97.06513	21.5
99.04437	4.5
105.07027	53.7
107.08601	33.8
108.51259	4.2
109.02875	8.1
109.06520	22.7
109.10168	15.0
110.06059	14.7
111.08089	6.7
114.20708	3.6
117.03323	4.6
117.07014	10.2
119.08567	34.0
121.06506	8.8
121.10143	20.4
123.08104	5.8
127.03941	11.1
131.08560	24.8
133.10115	25.7
135.08092	7.8
135.11691	6.5
136.07576	6.8
137.05956	4.1
137.09595	6.1
140.06964	4.0
142.07785	15.3
143.08536	8.3
145.02847	8.2
145.10138	59.5
145.61255	3.6
147.08098	4.3
147.11670	59.8
149.09621	9.3
155.08591	4.9
156.09340	3.9
157.10110	31.7
159.08070	5.4
159.11650	24.4
161.09636	8.4
161.13245	5.3
163.11160	4.6
163.26733	3.9
163.95389	3.8
164.07062	5.0
171.11617	9.0
172.92982	3.7
173.09645	8.8
173.13301	20.5
175.11201	35.0
175.14748	5.4
177.05455	12.5
177.16417	13.0
182.10898	5.6
187.14787	48.4
193.12227	9.1
194.05240	3.8
197.13307	14.3
203.14258	7.7
205.15837	39.8
215.14301	37.4
233.15343	100.0
234.15892	3.8
251.16412	26.1
275.00568	3.7
287.05460	9.2
347.71951	4.7
448.16101	4.0
449.18253	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	449.1077
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
50.50793	0.4
55.01878	0.6
55.05497	0.5
57.03433	3.9
57.85042	0.4
59.04980	0.6
61.02905	0.5
68.99775	0.4
69.03416	1.8
71.04987	24.9
71.43955	0.6
72.05323	0.5
73.02897	0.4
74.31194	0.4
75.04471	0.8
79.05505	0.4
79.69216	0.4
80.14976	0.4
81.03387	0.6
81.07035	1.2
81.53536	0.4
83.04962	0.8
85.02895	28.0
85.06559	0.4
86.03227	0.6
87.04446	0.5
93.07027	0.5
95.04944	0.7
95.08581	0.5
96.08864	0.4
97.02872	0.4
99.04404	0.6
105.07006	1.2
107.08561	0.6
109.02875	0.5
109.10114	0.6
111.00773	1.5
111.04445	0.9
119.08558	0.6
121.02844	1.2
121.06487	0.4
123.04409	0.6
125.09612	0.7
126.09991	0.4
127.03864	0.8
129.05473	6.6
131.08528	0.5
133.10144	0.6
136.07555	0.7
137.02309	3.8
145.10052	0.6
147.06476	0.9
148.12079	0.7
149.02312	0.9
153.01810	5.3
155.04819	0.5
158.56969	0.4
159.11653	0.5
160.11932	0.6
161.06032	0.4
163.03911	0.8
164.07069	0.5
165.01823	2.4
173.08174	0.4
175.11232	0.6
183.02849	1.1
183.04437	0.6
187.14780	0.6
201.05437	2.4
215.14464	0.5
223.13332	0.6
224.13620	0.8
229.04938	4.9
241.14291	0.7
247.05821	0.5
252.12990	0.6
257.04422	2.5
270.13922	0.5
274.04745	1.0
285.03967	1.4
287.05472	4.1
303.04947	100.0
304.05307	4.4
315.04919	1.1
327.04996	0.5
345.06027	1.5
369.05786	0.6
395.07800	0.5
397.05936	0.4
413.08466	1.3
445.11069	0.4
448.90170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01856	0.4
57.03427	0.9
60.51177	0.2
61.02915	1.1
68.99784	1.0
69.03426	3.6
69.19416	0.7
69.19819	0.7
71.04984	0.3
73.02894	0.4
79.04597	0.3
81.03407	2.1
85.02898	9.2
85.79798	0.2
91.03951	0.3
91.35474	0.2
97.02889	3.0
99.04443	0.6
99.39207	0.2
105.03388	0.6
107.04908	0.6
109.02853	1.1
111.00784	0.8
115.32734	0.2
121.02859	3.7
127.03903	1.8
133.02827	0.6
137.02348	1.2
145.04935	1.3
147.04433	0.9
153.01820	5.1
157.06422	0.4
165.01785	2.2
171.04419	0.3
183.02908	1.1
185.05966	0.6
189.05553	0.3
213.05429	1.8
227.83786	0.3
229.04889	0.3
231.06477	0.9
241.04944	1.0
258.05209	1.0
259.06012	0.3
287.05469	100.0
288.05798	5.8
299.05356	0.3
345.52734	0.2
399.48572	0.3
432.20837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03942	0.6
53.56949	0.3
55.01857	0.7
57.03423	0.6
57.09672	0.3
59.10845	0.3
61.02921	1.4
68.99792	0.9
69.03421	3.7
69.19254	1.8
71.04986	0.4
73.02910	0.6
79.05480	0.5
81.03416	1.8
85.02901	9.4
89.17728	0.3
91.03954	0.5
97.02885	3.5
98.22693	0.5
99.04472	0.5
102.16129	0.3
105.03375	0.6
105.15462	0.3
107.04904	0.5
109.02884	1.2
111.00802	0.8
111.32410	0.3
121.02854	3.4
121.03726	0.4
127.03880	1.7
137.02324	1.3
145.04942	1.6
147.04390	0.8
153.01808	5.1
157.06505	0.4
161.06076	0.4
165.01834	2.0
171.04404	0.5
177.09090	0.7
183.02876	1.5
185.06004	0.5
193.08629	0.3
213.05444	1.7
216.78326	0.3
231.06458	0.8
239.85641	0.4
241.04947	0.7
258.05173	1.4
259.06000	0.5
269.66449	0.3
287.05466	100.0
288.05774	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	449.1439
Annotation	Belalloside B
Peak:m/z	Relative Intensity
52.41349	0.3
53.03930	0.8
55.01863	0.3
56.58187	0.2
57.03407	0.4
62.06085	0.5
65.03941	5.2
69.03431	3.3
70.06598	0.4
71.04985	0.3
81.03415	5.0
85.02899	2.8
86.09696	0.5
91.05444	0.4
91.54405	0.3
93.03383	0.4
95.04968	2.7
97.02885	3.7
99.04418	0.7
103.03949	0.4
103.05496	0.6
105.04487	0.4
106.12386	0.3
109.02869	2.3
111.04437	3.8
115.03899	0.4
121.02856	100.0
121.03899	4.9
122.03156	1.8
122.07127	0.7
127.03886	1.0
131.04893	0.8
137.05962	3.4
139.03885	7.3
141.07025	0.5
145.04970	0.9
147.04372	0.5
149.05956	0.6
151.03915	2.3
160.05083	0.4
163.07556	0.8
169.06479	0.5
175.07558	0.9
177.05444	1.2
177.09122	0.4
179.07063	0.3
181.04955	0.6
187.07526	0.5
191.07030	1.4
197.05937	0.8
201.09120	0.5
203.07030	1.7
215.07022	1.1
223.03865	0.3
223.05995	0.6
226.03873	0.3
229.08618	2.2
233.08119	1.8
245.08154	0.3
257.07986	1.4
265.07016	6.0
265.09619	0.5
275.09189	0.5
283.08115	2.0
287.05536	1.0
377.31671	0.3
449.10986	0.3
449.17044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66341	1.5
57.03458	1.2
69.03421	3.0
69.54891	4.5
73.02924	2.4
77.03675	1.3
84.38525	1.3
85.02901	3.5
95.04977	2.3
97.02895	3.3
101.77093	1.5
121.02854	29.2
121.06498	1.9
139.03905	4.1
148.73665	1.7
259.07870	1.9
265.07034	2.2
283.08176	3.6
287.05664	1.8
347.09451	43.7
368.97272	1.5
449.16281	100.0
450.16650	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	449.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.05493	2.3
57.03428	4.3
61.02921	2.6
69.03421	25.5
69.39977	8.7
79.05473	9.4
81.03419	9.8
83.04972	3.9
83.50358	1.6
85.02894	29.7
87.04453	4.1
91.05448	2.1
93.07058	3.0
95.04987	8.3
97.02892	6.5
98.22683	3.6
99.04449	3.5
99.97466	1.8
103.03880	1.8
105.03386	100.0
105.04520	5.1
106.03767	2.4
109.02872	6.3
109.10142	3.3
111.04440	4.5
114.62848	1.7
119.08541	3.8
121.06469	1.9
123.04418	18.6
127.03934	9.4
129.05482	8.0
130.07205	1.9
133.02905	3.8
133.06496	2.1
133.10110	5.0
145.04967	1.9
147.06593	3.1
147.08029	47.3
149.09601	17.1
151.03865	4.1
159.08035	2.1
161.09605	3.8
165.05588	1.8
165.07530	5.0
173.09622	3.2
178.42546	1.6
183.08688	8.5
190.05464	1.7
199.11107	1.9
249.07462	8.5
267.08609	16.4
269.18796	2.7
287.05429	6.3
324.16470	1.7
449.16309	2.3
449.18723	2.8
449.25278	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	4.2
69.03418	30.5
77.07210	3.4
79.05498	9.7
81.03423	7.8
83.04965	6.5
85.02884	28.4
87.04489	3.9
95.04958	10.9
97.02863	5.9
105.01867	4.6
105.03384	91.3
109.02883	6.4
109.94622	3.8
121.06516	5.4
122.07188	5.8
123.04401	20.0
123.07431	5.1
127.03899	8.5
129.05486	8.3
138.09145	3.8
144.78526	3.8
145.04930	6.1
151.03882	10.5
153.05482	4.7
165.07510	5.7
181.04942	13.7
183.08601	5.8
196.19461	3.5
249.07516	7.0
267.08630	20.5
287.05579	12.0
405.11514	21.7
449.10498	100.0
449.16443	6.1
450.13876	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	449.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
53.46689	0.5
53.99918	0.4
55.05509	37.2
57.03430	2.6
59.04995	0.9
63.18581	0.6
64.80916	0.5
69.03427	2.4
69.07066	0.6
71.04993	0.7
73.06554	2.4
81.03418	2.8
81.07052	0.6
83.04977	100.0
84.05313	0.9
85.02912	2.5
87.00833	1.7
95.08562	0.7
97.02882	4.5
99.04442	1.2
101.06013	51.3
102.06366	0.8
105.07039	0.8
107.08566	0.8
109.02885	1.9
110.07632	0.5
119.08564	0.8
127.03933	1.7
145.04968	1.4
145.10158	0.9
159.02962	0.6
159.11513	0.6
183.10159	12.8
183.11685	1.0
185.94139	0.5
201.11191	7.2
287.05600	1.4
289.14151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50481	0.5
69.03382	0.6
78.71597	0.5
81.07008	0.5
85.02874	1.2
97.02859	0.6
123.04413	0.5
133.10162	0.7
177.04092	0.5
185.04227	1.9
201.03697	1.0
203.05261	0.9
213.08853	14.9
214.09613	1.8
227.10440	2.1
251.15794	0.5
271.09628	1.0
271.13120	1.5
287.12537	6.3
331.14764	0.6
345.15106	0.6
363.16302	1.2
376.14929	2.1
405.18887	1.8
412.82108	0.6
449.17792	100.0
450.18198	8.7
465.81207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.18784	0.4
76.92532	0.5
78.86182	0.5
174.92549	0.5
190.75769	0.5
203.05266	2.0
269.11273	0.5
421.18176	1.0
449.17773	100.0
450.18201	8.0
450.28687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73207	0.5
65.08652	0.5
69.03416	0.7
69.15266	1.2
69.15670	2.1
117.07078	0.6
121.39150	0.5
137.34628	0.5
173.73088	0.5
185.04250	1.3
190.34576	0.6
213.08830	0.7
225.11208	0.6
271.09323	0.6
287.12512	8.4
449.17792	100.0
450.18152	6.8
457.33701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
55.01864	20.1
55.05508	20.4
57.03431	20.8
57.07067	3.9
61.02917	13.9
65.03970	5.0
67.05503	28.6
68.99786	21.6
69.03424	78.6
69.07064	16.4
70.92384	4.3
71.01350	5.4
71.04980	6.5
71.64983	2.1
71.71687	2.3
73.02924	14.5
77.03900	2.3
79.05487	24.4
81.03410	62.4
81.07049	38.5
83.04974	24.3
83.08610	5.8
85.02897	91.8
85.03416	4.8
87.00819	52.4
87.04456	4.8
91.05475	49.0
93.03429	3.1
93.07042	36.1
95.04973	24.4
95.08596	44.3
97.02880	38.7
97.06525	5.9
97.10172	6.9
99.04439	15.6
101.02346	2.9
103.03931	19.2
103.05463	5.9
105.01891	18.2
105.04536	4.1
105.07020	81.9
107.04950	9.8
107.07909	4.1
107.08585	38.3
108.16120	2.2
109.02874	27.5
109.06515	6.0
109.10157	23.6
111.04440	25.7
111.08061	2.9
111.09537	2.2
113.02339	4.0
113.24767	2.3
115.03916	20.5
115.05449	7.0
116.06217	2.9
116.83468	2.0
117.01852	5.7
117.07008	31.6
119.08575	64.9
121.06512	11.9
121.10143	21.7
123.04424	8.6
123.11727	7.1
125.05994	10.2
127.03906	35.7
127.04751	3.9
127.11005	1.9
128.06255	11.6
129.01834	17.9
129.05508	3.6
129.06996	26.5
130.07809	4.5
131.08559	57.1
133.06511	8.1
133.10124	46.1
135.04436	3.7
135.08046	6.6
135.11668	10.3
137.06007	5.6
141.05347	3.0
141.06944	17.6
142.07759	19.5
143.08549	58.2
144.09320	6.2
145.04977	7.5
145.06471	7.3
145.10107	81.6
146.10521	2.2
147.02908	8.6
147.08000	12.0
147.11671	18.1
149.05971	6.5
151.07567	2.6
153.06987	9.5
154.07732	5.9
155.08525	40.3
156.09349	17.0
157.06488	4.5
157.10104	67.3
158.10773	3.9
159.02869	17.9
159.08049	8.2
159.11681	65.3
160.12036	3.2
161.09642	11.9
161.13234	26.2
162.13455	2.5
163.14877	3.1
165.07016	7.8
166.07770	3.3
167.07106	5.1
167.08554	15.0
168.09303	10.0
169.10112	51.5
170.10866	10.8
171.02808	3.0
171.08041	8.1
171.11682	41.5
172.12347	3.3
173.09639	10.8
173.13228	21.9
175.07497	2.4
175.14827	8.7
177.09183	2.3
179.08501	13.1
180.09389	5.0
181.10078	26.7
181.41618	2.5
182.10919	9.0
183.08047	4.7
183.11682	37.1
184.12413	9.3
185.09583	10.3
185.13255	40.0
186.13799	2.8
187.11172	6.8
187.14803	58.5
188.15250	4.4
189.03938	14.8
189.16391	13.9
193.10127	15.2
194.10941	3.4
195.08128	2.8
195.11633	21.7
196.12418	9.6
197.09654	5.5
197.13246	19.8
198.13943	4.1
199.11195	7.5
199.14815	44.6
201.03850	5.4
201.12814	4.6
201.16367	65.0
202.16800	4.0
203.14326	9.4
205.10172	2.7
207.11687	12.1
208.12505	4.5
209.09727	4.5
209.13231	12.3
210.14044	6.1
211.11243	6.5
211.14767	31.3
213.12831	4.0
213.16353	58.9
214.16786	4.9
215.14421	5.4
215.17976	7.3
217.15883	13.7
219.11617	3.5
219.17436	2.6
221.13266	7.8
222.14030	3.4
223.14775	15.2
225.12758	7.4
225.16359	51.1
226.16809	2.4
227.14288	5.3
227.17952	8.1
229.15921	16.1
231.05063	5.4
231.11707	2.7
231.17477	6.6
233.13268	4.7
235.11307	2.4
235.14839	4.8
237.12737	4.9
237.16422	13.8
239.14322	5.5
239.17998	5.5
241.15846	12.5
243.17419	30.7
249.12766	3.2
249.16403	6.4
251.14209	3.2
253.07030	2.8
253.15744	7.1
254.16611	3.6
255.15106	2.5
255.17369	15.5
257.19055	2.7
259.17075	4.3
263.17856	12.5
267.14505	3.2
267.17392	18.3
269.15332	2.8
273.18469	6.0
279.17316	5.7
281.19046	6.9
285.18439	18.8
287.05533	3.0
289.09393	3.2
291.17331	11.6
297.18555	2.6
299.20148	2.7
309.18390	22.5
327.19482	23.0
328.19861	2.3
345.20551	12.6
363.21613	8.5
369.20877	2.8
387.21655	6.7
391.17712	2.3
395.18692	4.0
401.19443	4.2
405.22760	9.7
413.19443	17.5
419.20572	15.0
431.14847	4.6
431.20593	58.0
432.20807	5.7
449.21674	100.0
450.21970	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	449.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	21.0
57.03429	12.6
57.07075	4.9
62.54300	2.4
65.03925	2.5
67.05499	35.3
69.07061	20.2
70.71817	3.8
71.08611	3.9
76.04260	2.3
79.05482	8.7
81.07052	33.3
83.08607	12.2
83.99073	2.6
91.05495	6.0
93.07040	11.1
94.02496	2.7
95.08595	32.5
97.06532	3.1
97.10172	4.6
98.90434	2.4
105.07023	6.7
107.08582	4.5
109.10138	10.5
113.00002	100.0
117.15736	2.5
119.08569	2.8
121.10130	3.4
123.11713	3.4
133.10123	3.2
137.65543	2.5
155.01140	3.8
169.02574	29.4
187.03659	7.5
224.87003	2.3
231.04443	2.7
245.22722	4.3
263.23666	6.2
267.24612	2.5
337.27313	91.2
338.27686	4.1
357.63257	2.5
449.26126	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	449.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.4
55.67365	2.5
57.03431	15.1
57.07073	7.7
59.74076	2.7
62.25512	2.7
67.05161	3.5
67.05498	43.0
69.07056	23.4
70.31834	4.9
71.08611	2.8
73.76780	2.7
79.05477	12.0
81.07047	37.0
83.04961	2.9
83.08619	13.9
83.36841	2.8
91.05482	4.6
93.07030	9.4
95.08591	27.7
97.10162	5.6
98.14111	3.2
98.22690	3.3
98.98470	6.7
105.07036	6.7
107.08578	6.0
109.10133	10.5
113.00002	94.5
113.00800	4.9
119.08584	3.6
121.10139	6.2
123.07980	2.8
123.11693	7.0
133.10127	4.3
135.11723	3.8
136.99953	5.8
149.48715	3.0
155.00954	5.7
161.13174	3.6
169.02609	28.4
187.03604	9.4
245.22588	2.9
263.23621	7.5
313.27298	6.2
337.27307	100.0
338.27475	6.8
357.02463	2.9
396.72363	3.0
422.37921	2.9
449.26102	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	449.2897
Annotation	Xenortide B
Peak:m/z	Relative Intensity
51.36489	3.8
52.75412	4.1
55.05505	22.6
57.07061	5.8
67.05499	14.3
69.07062	33.2
69.66185	15.2
73.05300	4.4
79.05486	6.3
81.07037	20.6
83.08604	18.3
87.13849	4.2
91.05477	15.3
93.07032	14.3
95.08602	22.8
97.10156	11.8
105.07018	7.0
107.08609	9.0
109.10125	10.1
111.11731	8.1
119.04948	27.8
119.08560	5.6
121.10139	9.9
123.11686	5.0
135.11700	13.7
137.13295	4.9
139.11201	5.4
147.04399	100.0
147.11670	6.1
148.04756	5.1
149.13260	4.7
151.14780	5.3
161.13284	8.5
165.05553	6.2
165.12746	7.1
175.03958	6.2
193.04893	4.9
217.19543	20.2
235.20724	20.8
250.36955	6.2
253.21573	6.4
287.05353	4.7
294.49304	4.9
449.30170	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	450.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	16.4
57.07066	1.5
65.45065	1.9
70.06595	6.9
70.40787	2.1
83.04955	2.2
84.96045	2.5
91.50438	1.5
91.52223	1.4
98.97572	14.5
114.09228	1.5
114.95149	1.3
116.98623	11.7
127.02707	1.6
132.10236	2.2
134.99663	5.7
138.69922	1.3
145.83090	1.4
175.01532	3.2
247.11337	1.6
263.10861	2.1
300.06754	2.5
300.28934	6.6
301.07382	1.8
309.07944	2.4
319.06146	3.2
321.04358	2.3
325.07462	1.7
327.08914	2.6
331.13327	2.8
336.03110	3.3
337.07355	6.4
339.05359	2.5
340.02536	3.0
340.06174	2.7
344.31635	2.5
350.04498	2.8
351.05377	39.9
354.04041	12.7
355.08511	37.0
356.08951	1.9
359.04318	1.5
366.03687	2.1
368.05692	9.8
369.06442	34.9
370.06769	2.3
373.09644	12.3
378.10217	2.2
379.08524	9.9
385.09891	2.1
388.34326	2.4
392.08093	2.4
395.10165	2.2
397.09415	6.2
409.09586	46.4
410.10022	2.9
427.10608	100.0
428.10950	6.4
445.11804	4.0
450.12073	9.8
450.37833	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61165	3.2
55.05505	4.3
69.03427	6.6
72.57407	3.7
81.03418	5.8
82.06579	3.3
85.02917	9.7
85.97059	3.2
91.05466	4.0
95.04952	4.7
97.02912	6.2
98.09682	9.9
100.11253	4.8
103.05473	10.1
106.12880	3.9
107.08542	3.8
111.04439	4.2
112.03955	6.9
115.03820	3.6
121.06452	6.0
128.07072	4.8
131.04947	9.7
135.11676	4.4
140.04733	4.4
146.03169	3.6
148.03970	4.4
163.07516	4.7
163.11140	4.6
177.05461	3.5
181.04938	100.0
182.05345	4.5
182.15402	7.2
185.05745	3.6
185.08040	6.8
199.05995	6.4
210.14896	14.5
253.14409	3.9
280.97263	3.7
289.05154	6.0
325.09256	5.2
337.21219	7.4
343.10120	5.1
354.23865	15.0
432.18295	7.2
450.19125	8.8
451.12012	48.6
451.32260	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	450.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23064	0.6
52.55103	0.7
53.03922	0.8
55.05496	1.0
61.91106	0.6
63.97046	0.6
65.03925	0.6
67.05515	5.1
68.68623	0.8
69.07050	5.6
70.03593	0.8
70.03910	1.3
71.04982	0.7
75.04471	5.0
79.05489	5.7
81.03401	2.8
81.07053	18.7
83.04984	1.8
85.06522	1.1
86.14165	0.8
87.81927	0.6
91.05470	3.4
93.07043	4.8
95.04963	5.4
95.08597	14.3
97.06479	0.7
97.10139	1.2
105.07017	10.9
107.08577	7.1
108.07377	0.6
109.06514	7.8
109.10162	3.6
119.08553	7.8
121.10143	9.9
123.08058	0.9
123.11693	2.4
135.11673	1.3
137.13237	2.0
145.10071	0.9
147.11667	14.6
150.03740	1.0
153.05481	1.1
156.01076	1.2
162.05585	1.3
163.06296	5.5
165.12753	21.0
166.03203	1.9
176.05406	0.8
178.03139	3.6
181.07294	0.8
182.02736	1.4
187.58008	0.6
192.04848	1.4
192.06471	1.0
193.07417	0.7
196.04256	18.4
197.02669	3.4
204.04817	1.1
206.06285	1.1
208.04210	1.2
214.05284	3.6
222.05809	4.8
226.51941	0.6
234.06047	0.7
238.05388	2.8
240.06943	2.0
246.32895	0.7
250.05423	0.9
262.87125	0.7
268.06415	3.8
286.07300	7.0
301.38293	0.7
314.06534	0.9
328.08261	1.2
344.11453	1.5
345.19214	0.7
358.18185	0.8
360.16321	1.2
378.17419	2.1
386.17572	1.0
404.18774	3.8
418.15146	3.0
422.19833	6.1
423.19897	0.8
432.18500	2.8
450.19434	100.0
451.19797	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	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
57.03432	39.7
61.02917	16.4
63.28424	2.6
65.97319	3.0
69.03426	54.9
71.01347	9.0
71.05313	2.6
73.02911	100.0
77.13192	2.3
81.03411	7.2
85.02896	98.9
87.04451	4.7
91.03916	2.8
95.04992	2.7
97.02885	76.4
98.70795	2.2
99.04449	5.6
103.03950	2.9
104.29928	2.4
109.02872	10.0
115.03922	65.3
117.07008	3.2
120.00093	2.3
121.06493	50.1
121.07317	3.4
127.03901	26.9
133.04971	16.2
145.04933	36.4
145.06398	11.8
150.07571	3.6
159.08061	7.4
163.06021	10.9
163.07433	5.6
171.08028	2.7
175.07562	11.5
183.08174	4.1
183.83305	2.4
187.07532	23.3
193.05011	2.9
199.07571	5.4
205.08553	17.2
217.08598	10.6
223.06047	7.4
229.08572	6.2
235.09671	10.8
241.07066	9.0
247.09714	5.6
259.08096	4.8
265.10718	8.7
295.10144	3.3
459.54169	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	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
57.03433	4.3
61.02919	4.4
65.03931	3.7
69.03416	16.0
70.30894	4.4
73.02912	3.9
75.25822	2.4
81.03406	5.3
82.65042	2.4
85.02898	71.8
87.04485	2.6
91.03954	4.0
91.05472	100.0
92.05773	3.4
97.02885	41.5
98.97616	2.5
99.04430	2.3
99.70586	2.5
109.02880	3.3
115.03947	5.4
117.35912	2.8
121.06487	3.6
127.03891	19.3
133.02831	4.2
145.04948	31.9
151.03897	2.9
154.60449	2.8
161.04436	4.1
163.06062	14.9
179.03427	4.2
183.08061	5.7
184.47670	2.4
197.47275	2.5
255.06514	6.7
257.87305	2.7
364.19135	3.9
385.20187	2.8
425.68176	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	450.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.1
59.97835	3.5
61.05563	3.4
63.12155	2.9
64.79242	3.1
67.05499	9.9
69.03422	8.0
69.07050	10.0
71.04979	6.6
76.18919	3.5
79.05479	10.0
80.31034	3.6
81.03391	4.6
81.07045	32.5
83.04964	7.2
83.08607	5.0
85.02900	9.6
85.06531	4.4
91.05476	17.2
93.07036	25.2
95.04968	5.9
95.08603	16.4
97.06539	5.5
99.04427	4.6
105.07032	36.6
107.08585	39.5
109.06520	16.5
109.10137	12.5
117.06961	4.3
119.08562	37.0
119.12778	3.3
121.06488	8.2
121.10132	19.2
123.04414	4.4
123.08092	5.7
123.11703	30.8
127.03921	5.7
127.07537	6.6
129.07043	4.9
131.08569	15.1
133.10110	16.7
135.08109	4.8
137.09633	4.2
139.07553	10.9
143.08566	7.9
145.10117	16.0
147.11671	94.7
147.12854	4.8
149.13246	6.7
157.10118	9.5
159.11670	8.6
161.13268	4.9
163.14758	6.0
165.12735	94.4
166.53200	3.6
169.10114	4.3
171.11716	12.6
173.13290	9.7
175.11145	8.8
175.14799	7.6
183.11760	4.4
183.13792	16.4
185.13191	6.9
187.14813	9.9
189.12665	6.9
189.16420	7.8
191.14340	7.3
193.12202	21.9
199.14784	10.3
201.16420	13.3
205.15724	4.3
207.13724	9.9
209.15341	7.3
213.16429	7.0
217.12245	19.3
229.14304	77.7
229.20979	3.9
235.13229	31.6
253.14333	100.0
405.31451	13.9
427.17496	4.3
451.32019	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	450.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66146	0.2
56.74772	0.2
61.39272	0.2
65.03931	0.3
69.24445	0.7
74.05196	0.2
77.03912	0.3
78.04708	0.2
79.05482	1.0
80.06263	0.7
90.04694	0.5
91.05466	3.0
93.07030	0.4
95.04935	0.5
103.05454	0.7
105.03361	0.2
105.07026	0.8
105.27081	0.2
106.04159	0.5
107.04942	5.2
108.05731	2.8
109.06490	0.6
115.05418	0.3
115.44830	0.2
117.07001	0.7
118.04191	0.3
119.06032	0.3
119.08572	0.3
121.06509	1.5
129.07021	0.4
131.04897	1.5
131.08452	0.3
132.05685	0.3
133.06493	1.3
135.04408	2.3
135.08034	1.2
136.05183	6.1
137.05965	2.9
139.07515	0.3
143.08507	0.3
145.06483	1.3
146.07269	1.4
147.08035	4.5
149.05943	0.6
149.09619	0.3
150.06708	1.8
151.07521	100.0
152.07858	2.3
153.09001	0.3
157.06480	0.5
158.07260	0.4
159.08022	0.8
160.08830	1.2
161.05956	0.5
161.09575	0.9
162.06801	0.5
163.06238	0.2
163.07529	3.3
164.08287	0.7
165.09106	7.7
171.08046	0.7
172.08800	0.5
173.05920	0.4
174.06754	0.5
175.07539	0.6
176.08360	1.0
177.09087	8.2
178.09763	0.3
179.10660	1.1
186.10376	0.8
187.07433	0.5
188.08272	1.7
189.09065	2.2
191.10663	2.4
201.09137	0.5
202.09811	1.1
203.10654	2.3
205.12224	0.4
217.12210	4.0
221.11790	0.3
235.13147	0.2
247.51849	0.2
300.28003	0.2
309.14743	0.4
323.16431	1.0
324.16956	0.4
340.16650	13.1
341.17081	0.6
353.17136	0.4
355.18976	14.5
356.19235	1.1
373.19916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69514	6.3
51.87683	5.4
53.68830	5.3
53.84372	5.5
54.47459	4.9
55.05499	11.1
60.91959	6.2
62.06084	11.9
65.03915	6.8
67.05496	8.5
67.95657	5.5
69.03432	20.8
69.07047	10.1
70.06617	5.4
70.66442	13.7
71.51133	5.9
75.91454	5.8
79.05470	14.8
79.36178	5.2
81.03419	17.4
81.07050	34.3
85.02908	25.1
91.05494	13.9
93.07047	23.3
95.08600	26.3
97.02914	10.0
97.06520	20.0
105.07034	27.1
107.08591	23.4
109.02857	9.1
109.06474	5.8
109.10146	11.9
117.06986	9.5
119.08602	27.7
121.02873	100.0
121.03846	8.7
121.06496	15.1
121.10148	23.2
122.03189	46.7
126.01054	35.0
127.03912	14.2
131.08588	16.6
133.10100	24.0
135.11682	26.0
139.03940	7.5
139.11183	20.9
141.02103	13.4
142.07744	13.6
143.08408	9.2
145.10138	14.5
147.11658	12.6
149.13159	8.5
151.03891	23.0
157.10143	35.5
158.82231	5.9
159.11664	41.6
165.12727	10.1
166.01706	8.1
167.18428	5.8
171.06688	6.7
173.13333	6.0
175.11183	8.2
175.14825	8.7
177.12794	16.8
181.51373	6.3
183.04306	7.2
189.07724	19.4
189.16376	11.1
191.14272	25.1
195.04329	12.4
199.14812	18.7
207.08916	9.8
217.15836	71.9
223.03848	46.1
224.04611	6.7
226.03737	41.7
235.16924	97.2
241.04974	11.9
253.17989	7.9
266.07388	8.9
270.03854	18.7
277.12717	5.5
283.08319	8.1
288.04962	23.4
296.45663	7.8
297.90485	7.5
403.10303	7.9
451.12125	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	450.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	32.4
57.03430	11.2
60.18479	9.7
65.72834	9.6
67.05497	53.9
67.58638	9.9
69.03425	16.7
69.07065	38.0
71.43899	10.5
73.22865	9.8
74.10484	10.0
79.05486	42.2
81.07049	97.9
83.05002	11.5
84.79899	9.8
85.02901	35.7
85.06526	35.9
91.05471	28.1
93.07040	45.7
95.04951	22.5
95.08591	68.4
97.02906	12.6
97.06517	100.0
105.07024	65.8
107.08597	62.1
109.06540	20.5
109.10146	36.5
111.08055	18.6
113.06047	11.8
119.08564	49.8
121.10149	46.0
123.11678	22.6
127.03886	20.5
131.08598	11.0
133.10109	52.0
135.08055	11.1
135.11678	25.6
137.05956	12.1
137.09595	20.8
140.83649	10.0
147.11693	44.9
149.13258	42.9
151.11168	24.0
155.10678	13.3
157.10086	24.0
159.11707	42.3
189.16376	54.4
205.15866	18.7
207.17438	25.1
217.15878	40.6
235.16896	74.0
253.17946	21.7
284.72900	12.2
377.29495	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	450.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69514	6.3
51.87683	5.4
53.68830	5.3
53.84372	5.5
54.47459	4.9
55.05499	11.1
60.91959	6.2
62.06084	11.9
65.03915	6.8
67.05496	8.5
67.95657	5.5
69.03432	20.8
69.07047	10.1
70.06617	5.4
70.66442	13.7
71.51133	5.9
75.91454	5.8
79.05470	14.8
79.36178	5.2
81.03419	17.4
81.07050	34.3
85.02908	25.1
91.05494	13.9
93.07047	23.3
95.08600	26.3
97.02914	10.0
97.06520	20.0
105.07034	27.1
107.08591	23.4
109.02857	9.1
109.06474	5.8
109.10146	11.9
117.06986	9.5
119.08602	27.7
121.02873	100.0
121.03846	8.7
121.06496	15.1
121.10148	23.2
122.03189	46.7
126.01054	35.0
127.03912	14.2
131.08588	16.6
133.10100	24.0
135.11682	26.0
139.03940	7.5
139.11183	20.9
141.02103	13.4
142.07744	13.6
143.08408	9.2
145.10138	14.5
147.11658	12.6
149.13159	8.5
151.03891	23.0
157.10143	35.5
158.82231	5.9
159.11664	41.6
165.12727	10.1
166.01706	8.1
167.18428	5.8
171.06688	6.7
173.13333	6.0
175.11183	8.2
175.14825	8.7
177.12794	16.8
181.51373	6.3
183.04306	7.2
189.07724	19.4
189.16376	11.1
191.14272	25.1
195.04329	12.4
199.14812	18.7
207.08916	9.8
217.15836	71.9
223.03848	46.1
224.04611	6.7
226.03737	41.7
235.16924	97.2
241.04974	11.9
253.17989	7.9
266.07388	8.9
270.03854	18.7
277.12717	5.5
283.08319	8.1
288.04962	23.4
296.45663	7.8
297.90485	7.5
403.10303	7.9
451.12125	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	450.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.5
55.05508	9.1
57.03411	6.8
58.06138	5.7
62.06069	7.7
67.05485	12.9
69.03423	43.0
69.07050	13.6
69.40633	28.5
71.04945	7.1
71.88931	6.2
79.05481	9.7
79.32372	5.3
81.03413	51.8
81.07045	42.6
85.02886	51.9
91.05464	20.0
93.07038	42.1
95.04945	11.5
95.08599	32.0
97.02881	27.6
97.06504	21.1
99.04405	11.5
103.03911	7.6
105.07011	37.5
107.08611	40.0
109.02874	67.2
109.10121	13.8
111.08060	5.3
117.07030	9.5
119.08563	35.4
121.02847	40.8
121.06481	21.4
121.10131	22.7
122.03185	17.1
123.08035	6.6
126.01067	17.5
127.03879	47.9
128.00783	5.5
131.08534	19.2
133.10110	23.1
135.11674	28.0
139.03928	7.3
139.11195	13.2
142.07748	16.7
143.08531	16.5
145.04906	13.8
145.10112	20.9
147.11668	21.6
149.09583	6.6
149.13203	9.0
151.03896	31.3
152.04182	6.6
157.10106	35.0
159.11720	44.9
161.09621	13.5
161.13205	8.4
163.03827	8.1
163.11057	7.8
165.12729	12.8
169.04916	12.0
171.11610	9.8
173.13322	7.6
175.11110	15.1
175.14796	10.0
177.12709	13.0
187.06000	23.4
187.14793	7.3
189.16327	7.9
191.14261	27.4
199.14780	18.9
217.15884	69.5
223.03809	11.7
226.03792	15.3
235.16927	100.0
253.17902	7.3
288.05289	10.9
289.05075	10.9
378.77557	5.9
395.46109	6.2
408.42404	6.7
410.87912	5.8
451.11716	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	451.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	8.3
61.59619	4.1
67.05509	7.7
68.51992	4.1
69.28921	12.3
69.29316	18.5
81.07068	8.6
83.04993	6.8
86.04782	4.2
91.05489	6.4
91.73537	3.8
93.07050	6.1
98.97578	28.8
100.03019	5.2
105.07062	6.1
110.97572	9.5
116.98632	9.1
119.08540	7.2
145.10097	6.0
173.13120	4.9
185.01230	5.4
196.09787	5.9
219.01805	16.1
224.57195	5.6
233.43425	4.7
237.02785	24.1
261.02780	6.3
289.51505	4.5
383.10098	13.9
407.11331	10.3
407.16476	10.4
425.86948	4.9
451.10004	100.0
451.15494	8.4
452.10199	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	451.121
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45763	0.5
69.26890	2.4
83.04966	0.8
85.02917	0.7
93.07027	0.9
95.04907	0.5
95.08562	0.5
96.85764	0.5
98.23436	1.0
105.07021	1.1
105.38478	0.5
107.08592	0.9
119.08610	1.0
126.99997	0.9
137.05998	0.5
141.93510	0.5
145.10141	0.8
161.02095	2.1
161.05856	0.5
162.02882	2.0
167.03148	0.7
169.04729	1.1
184.07527	0.6
201.16447	0.5
202.06012	3.3
203.06793	9.8
227.05272	2.8
255.84549	0.5
267.20041	0.5
271.04269	6.6
328.72797	0.5
332.15582	1.1
333.15747	1.5
365.12030	3.9
366.08963	0.6
407.13034	35.3
408.13177	1.6
412.73972	0.5
419.09863	0.5
451.12048	100.0
452.12390	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	451.3204
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05507	14.3
57.07071	4.6
60.55354	2.2
67.05495	20.7
69.07066	11.5
69.21958	12.3
79.05496	20.4
81.07053	42.1
83.04976	12.7
83.08587	9.9
91.05483	27.3
93.07040	45.3
95.04956	6.9
95.08598	62.8
97.10152	2.9
99.08077	6.8
105.07022	70.5
107.08590	73.4
109.06512	6.7
109.10160	35.7
111.08047	5.8
115.05397	2.5
117.07014	8.0
119.08572	100.0
121.10134	47.2
123.08083	5.9
123.11678	23.6
125.09627	5.5
128.06204	3.7
129.06966	10.7
130.07793	4.4
131.08559	40.4
133.10118	49.8
135.11682	21.7
137.09605	4.9
137.13306	3.6
141.06953	4.1
142.07773	8.5
143.08568	23.8
144.09325	6.3
145.10117	72.6
147.11665	33.7
148.12076	2.3
149.13246	8.7
151.11179	7.7
155.08521	7.3
156.09346	7.8
157.10115	39.0
158.10895	4.2
159.11688	58.4
160.12047	2.5
161.13275	21.7
163.07550	4.8
163.14857	10.5
165.12732	3.7
169.10130	11.7
170.10843	4.9
171.11665	33.8
172.12459	3.5
173.13239	42.6
175.11331	2.7
175.14816	38.0
177.12688	2.9
177.16389	9.6
181.10237	2.8
183.11708	12.5
184.12486	6.0
185.13254	28.2
187.11212	2.6
187.14810	55.7
189.16360	17.0
191.14281	4.8
193.15979	2.6
195.11658	4.0
197.13246	17.3
199.14810	58.3
201.16373	48.1
203.14293	6.1
203.18019	5.6
205.15848	29.7
209.13274	4.1
211.14769	16.1
212.15688	2.5
213.16335	45.6
214.16901	2.7
215.14293	3.9
215.17975	10.6
217.15855	10.5
219.13759	2.8
219.17451	7.2
223.14738	6.6
225.16412	7.8
227.17963	5.7
229.15900	4.3
231.17366	5.5
235.14839	2.4
237.16243	3.5
239.17920	7.5
241.19499	9.0
245.15303	8.7
245.18933	2.3
251.17851	4.6
253.19440	9.0
255.21078	5.3
257.18970	2.7
259.16931	6.2
263.18063	2.4
265.19510	5.7
267.21036	6.3
271.20602	3.5
283.20401	4.1
291.20941	2.6
333.25632	5.2
338.75195	2.9
387.30252	6.9
405.31491	70.1
406.31857	5.0
407.33115	10.8
421.31030	3.2
423.32645	3.3
433.30942	14.2
451.32019	67.9
452.32092	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	452.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52800	0.6
53.03944	6.6
55.01867	10.6
55.05505	0.8
57.03426	5.5
60.04517	0.8
61.02918	5.9
68.99780	2.5
69.03421	31.5
69.07059	1.1
70.50788	1.1
71.04996	5.2
73.02911	8.7
75.17072	0.7
81.03410	31.0
81.07047	0.7
83.01353	0.8
85.02895	100.0
85.06519	0.9
86.03228	1.1
87.00820	32.1
87.04455	1.0
90.53750	0.6
91.03945	2.6
94.04172	0.7
97.02883	37.6
98.06049	0.9
98.22688	0.7
99.04444	18.4
103.03945	2.0
105.01857	31.2
105.07030	2.2
108.04476	7.2
109.02868	34.5
110.03156	0.8
111.11652	0.8
115.03937	1.2
117.01823	3.9
121.10149	0.7
126.05490	3.5
127.03900	76.8
128.04291	1.0
129.01822	4.6
133.10098	0.8
133.89923	0.7
141.06944	1.3
145.04941	40.8
146.05312	0.9
147.02876	4.7
159.02872	26.7
169.06476	1.3
172.44841	0.6
177.03967	2.2
187.07558	4.6
189.03917	2.9
199.07527	1.5
211.07564	2.0
212.05577	0.9
213.03914	3.2
213.60847	0.6
221.37807	0.7
230.06612	2.8
231.04984	12.2
232.05424	0.9
248.07718	2.9
249.06201	1.0
253.08528	1.6
295.09656	1.0
452.16324	3.5
452.21860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	7.1
57.03439	31.6
57.16729	4.8
59.57383	5.2
69.03422	91.8
69.64969	16.6
76.60593	5.4
81.03385	6.4
81.88815	5.6
83.99811	5.3
84.08137	12.7
85.02890	52.9
87.04451	52.7
97.02879	58.3
98.97589	9.6
104.83669	5.6
109.02877	33.4
115.03918	88.6
116.98592	9.4
123.04410	47.7
126.98253	4.8
127.03867	7.2
129.10181	7.2
133.02829	21.2
133.04939	100.0
136.94052	13.8
141.05460	27.4
145.04959	10.6
147.04411	6.9
150.07594	14.9
165.05428	43.2
170.11630	5.5
177.05428	11.7
219.06561	18.6
227.75562	6.2
237.07605	16.1
452.12183	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	452.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.0
55.01858	8.8
55.05501	7.8
57.03433	7.1
59.05003	8.6
61.02925	5.2
65.03931	7.2
67.05502	28.1
68.99748	4.3
69.03413	31.1
69.87064	15.6
71.04977	13.8
71.06374	4.5
71.18948	4.7
73.02883	5.8
73.11289	4.2
75.15481	4.0
79.05492	22.6
81.03419	21.6
81.07048	63.5
85.02901	70.3
87.00829	29.6
91.05473	37.1
93.07037	100.0
95.04953	9.2
95.08569	6.6
97.02875	28.6
97.06573	4.9
99.04465	16.9
105.01862	29.4
105.07025	39.1
107.04964	6.1
107.08601	32.2
109.02847	21.8
109.06507	9.7
109.10133	11.3
110.06026	79.3
110.06730	6.5
121.10091	7.7
123.04415	9.4
123.08035	4.4
123.11695	39.0
125.05949	5.5
127.03910	43.3
133.10110	36.3
145.04944	26.5
151.11163	57.0
154.04964	5.8
159.02963	13.3
169.12299	12.3
181.04866	28.1
231.05038	7.3
290.10101	9.4
443.20450	5.6
453.13480	20.9
478.83752	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	452.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.1
62.02807	19.4
64.83250	18.7
65.04913	20.0
67.05515	35.2
70.55418	19.9
70.66436	41.6
79.49210	19.3
81.03407	76.6
95.04974	100.0
95.08623	23.5
107.08598	29.3
109.06505	23.6
119.08551	27.2
121.10136	29.0
126.46191	19.4
135.08022	21.8
145.10049	25.2
152.49794	19.6
159.11685	21.1
163.11176	57.7
175.14827	27.7
193.15923	52.8
197.13287	21.3
203.14247	22.1
219.55557	20.3
228.48590	21.6
238.38342	23.3
269.19083	26.9
280.24139	27.7
297.18402	60.7
299.60742	22.0
315.13174	21.1
315.19470	86.5
453.16641	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	452.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30527	5.0
51.81493	4.3
53.86707	4.3
55.05500	9.4
66.60107	4.6
67.05490	13.1
69.07069	8.1
79.05470	16.5
81.07045	31.9
81.74159	4.5
83.04997	21.5
86.11833	4.2
91.05478	20.7
93.07028	37.1
95.04964	9.3
95.08588	24.6
105.07042	45.6
107.08595	31.6
109.06528	11.8
109.10161	5.6
117.07005	15.1
119.08567	52.3
121.06481	10.2
121.10122	15.5
131.08521	26.8
133.10094	31.3
142.07790	7.9
143.08517	14.3
144.09351	10.5
145.10091	10.9
147.11688	21.5
149.13243	16.2
157.10133	19.6
159.11687	100.0
161.13257	22.2
173.13193	9.4
177.12735	53.7
184.97336	5.1
189.16382	20.2
198.60405	4.6
199.14819	18.1
217.15854	40.0
235.16853	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	452.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.4
61.40052	2.0
67.05484	9.4
69.07050	6.1
69.32214	11.0
74.17857	2.0
79.05480	8.5
81.07044	22.7
83.04969	20.8
91.05463	16.1
93.07036	28.7
95.04958	4.4
95.08603	23.0
97.06539	4.6
97.89633	2.1
98.23475	4.5
105.07011	31.7
107.08574	21.6
109.06509	7.8
109.10159	7.3
117.07010	10.1
119.08559	37.4
121.06480	5.1
121.10122	11.5
121.69846	2.1
129.06938	3.0
131.08548	23.7
133.10117	30.8
135.11687	4.2
142.07732	4.2
143.08534	9.0
144.09296	7.0
145.10121	9.1
147.08093	3.0
147.11694	16.0
148.39624	2.0
149.13248	11.7
157.10091	18.4
159.11678	100.0
160.12041	3.1
161.09602	3.8
161.13263	17.9
171.11661	5.0
173.13252	8.3
175.11217	2.3
177.12718	43.8
189.16353	16.9
199.14801	28.0
205.11957	2.6
217.15866	41.7
218.16260	3.3
234.18361	2.6
235.16934	11.5
264.21118	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	46.8
55.56544	13.6
57.07067	22.8
69.07037	23.0
77.74487	17.3
81.07020	46.1
83.04961	100.0
89.06017	41.4
91.05461	44.7
93.07010	47.0
98.06277	15.1
101.05981	30.7
103.86858	15.8
105.07033	84.6
107.08592	31.7
109.10075	20.5
119.08590	38.2
121.10037	18.0
129.20129	15.0
131.08546	34.2
132.72530	15.2
133.08582	23.8
133.10123	63.5
133.33401	16.5
143.08572	25.8
157.10075	27.7
159.11621	24.8
161.09592	46.6
161.13210	22.5
189.16408	46.5
194.94202	16.5
199.14857	62.3
203.64986	18.7
217.15834	97.6
239.14685	22.6
405.40878	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	452.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.3
65.44819	1.6
67.05492	7.4
67.44270	1.6
67.46669	1.7
69.07061	7.0
71.43372	2.4
79.05486	7.3
81.07050	17.9
83.04974	25.0
83.08610	1.9
91.05469	9.7
92.79675	1.6
93.07040	14.5
95.04959	2.2
95.08595	30.2
101.06033	5.2
105.07021	46.8
107.08584	21.6
109.10139	19.8
111.02978	1.8
119.08574	37.8
121.10139	14.3
123.11662	8.5
131.08574	2.3
133.08627	2.7
133.10118	27.3
135.11725	2.6
137.09596	1.7
145.10051	3.2
147.11671	100.0
149.13303	2.4
159.11656	2.3
161.13239	17.1
162.13680	2.1
163.14856	7.9
175.14793	4.7
177.16301	2.2
183.10068	2.6
203.17940	100.0
204.18298	3.0
209.04684	1.6
220.08060	1.7
221.18997	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	452.9185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86958	0.7
62.67366	0.6
63.98630	0.6
86.81915	0.7
112.89597	1.7
114.89323	2.6
128.04634	0.8
136.94012	100.0
157.04126	0.7
249.58382	0.8
294.92947	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	452.9185
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14780	6.9
75.07288	0.9
98.97601	4.2
113.83107	1.0
116.98626	2.6
136.94012	100.0
216.98779	4.2
234.99724	5.4
263.01050	1.1
274.97638	1.4
280.46387	1.1
294.92905	13.6
329.02435	4.8
330.02866	1.1
347.03748	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38624	6.0
55.76593	6.0
56.96551	8.8
70.57642	10.0
73.00839	6.3
81.07069	9.5
85.02874	10.0
97.02895	7.8
98.97565	32.8
111.66634	7.5
116.98669	8.3
128.98575	14.0
146.99530	7.1
158.99652	13.0
163.03888	11.4
169.12138	6.2
191.93488	6.3
207.03125	8.0
217.01511	6.1
219.01773	21.5
237.02745	29.4
259.07239	9.7
309.06274	20.9
327.07443	74.1
359.48602	7.0
393.08600	9.5
453.11603	100.0
453.21103	99.9
454.21072	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	453.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37664	0.4
54.31087	0.5
54.49206	0.4
60.27308	0.4
67.81079	0.4
79.05486	0.4
118.13658	0.4
141.29692	0.4
141.47562	0.4
147.04391	0.8
168.31425	0.4
189.07253	0.4
189.08965	0.9
196.42931	0.5
203.05341	1.7
273.14603	1.1
453.13660	100.0
453.20541	7.4
454.13943	4.6
454.19971	0.7
454.28006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76894	0.3
69.42922	0.7
69.43317	0.9
70.06596	0.8
71.68543	0.4
74.70905	0.3
81.07077	0.5
84.08153	1.5
85.02883	0.4
85.06486	0.4
88.72305	0.3
91.05490	0.6
98.22681	0.8
102.98389	0.4
105.07106	0.4
111.04445	0.4
132.08447	1.2
133.10139	0.5
147.04439	1.3
147.07831	0.3
169.08621	0.8
170.09016	0.8
203.05249	3.7
256.09784	0.6
273.14639	2.4
332.76871	0.4
354.40323	0.4
453.13733	100.0
453.20859	17.7
454.14023	5.8
454.20587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37572	0.6
59.63340	0.6
63.06853	0.6
69.28025	3.0
84.08065	0.7
85.02912	0.5
169.07761	0.6
204.07632	1.2
205.06082	2.3
205.08342	3.0
206.04428	3.0
227.05266	2.5
271.04205	4.0
367.13663	4.6
391.13388	0.7
409.14673	32.2
410.15140	1.1
453.13626	100.0
454.13977	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	453.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09727	0.6
59.77515	0.7
70.37503	1.1
81.07012	1.9
85.95338	0.6
117.08707	0.6
120.08104	0.7
121.02772	0.8
121.06483	0.7
135.08006	1.5
144.13806	0.5
144.67941	0.5
172.77757	0.6
185.04225	1.1
191.14261	0.9
201.03670	2.7
203.05241	1.5
213.12433	0.8
229.12009	1.8
231.13507	8.9
247.13100	2.6
269.07339	0.6
284.08636	0.9
391.17233	70.4
392.17532	4.8
409.18301	100.0
410.18686	5.3
453.17288	78.6
454.17639	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	453.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
56.54555	0.2
58.41018	0.2
69.03390	0.3
69.07059	0.3
70.06580	1.1
71.43954	0.3
76.96617	0.3
81.03422	0.2
83.08607	0.9
85.00093	0.3
85.02892	0.7
87.00800	0.3
91.05471	0.8
93.07023	0.3
95.08565	0.3
97.02885	0.6
100.07613	0.7
100.11246	5.1
105.07008	0.4
119.04942	0.5
119.08598	0.3
128.07030	0.4
143.03172	0.4
146.08078	1.1
147.04402	3.8
163.03914	1.2
163.17229	0.2
168.13800	0.7
182.15440	1.1
183.76778	0.3
185.04189	0.7
201.03802	0.3
203.05257	4.2
203.06979	0.4
209.16444	0.9
210.14885	1.0
218.11723	0.3
229.11963	1.8
246.11244	0.8
247.12990	1.5
252.97981	0.3
269.18576	0.4
273.10974	0.5
274.10806	0.3
291.12009	19.6
292.12305	1.0
333.13104	0.3
336.22714	0.3
337.84244	0.3
370.80148	0.3
409.18283	2.7
435.33115	1.6
453.17258	100.0
453.34146	5.1
454.17807	6.4
454.34598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2092
Annotation	Asp Arg Tyr
Peak:m/z	Relative Intensity
54.64713	0.4
69.30674	1.0
69.31084	1.0
72.32451	0.3
89.48083	0.4
96.08194	0.5
98.22570	0.6
106.06548	0.5
114.09180	0.8
121.02837	1.4
138.35446	0.3
203.05240	12.4
217.11983	1.8
273.14575	8.4
273.63519	0.4
291.15732	0.9
303.04623	0.3
338.28610	0.4
453.20911	100.0
454.21225	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18644	0.6
57.48614	0.6
70.82571	0.8
98.23262	0.9
100.11215	1.7
119.08587	0.8
147.11687	0.7
165.54799	0.6
203.05251	23.0
229.15602	1.8
243.66786	0.6
258.26105	0.6
273.14578	100.0
273.70441	0.6
274.14795	3.8
291.15683	0.9
296.95529	0.6
309.15573	0.6
356.79114	0.7
453.20914	34.2
453.34323	1.8
454.21323	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2093
Annotation	Asp Arg Tyr
Peak:m/z	Relative Intensity
50.55830	0.6
65.01406	0.6
67.05501	0.7
67.10213	0.6
69.42976	1.3
69.43366	1.5
70.62226	0.6
75.18413	0.6
79.05463	0.8
84.08123	1.0
85.06528	1.1
91.05457	1.7
93.07031	1.0
100.38021	0.6
105.07030	1.4
107.08614	1.4
119.08602	1.2
120.40287	0.6
131.08600	0.9
133.10130	0.8
147.11635	1.3
157.10083	1.9
169.10080	0.7
175.11159	2.9
177.05475	0.7
203.05240	23.0
255.99442	0.7
273.14584	15.8
298.55270	0.7
304.52753	0.6
378.17398	0.6
391.66376	0.7
398.94403	0.6
453.13593	61.9
453.20813	100.0
454.13940	4.0
454.21259	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	453.2095
Annotation	Asp Arg Tyr
Peak:m/z	Relative Intensity
54.03077	0.3
55.05505	1.3
58.02953	0.6
60.16136	0.4
69.03414	0.5
69.07071	0.4
70.06573	0.5
73.02954	0.4
83.04971	0.8
83.08628	0.9
85.02895	0.7
91.05513	0.6
100.07621	0.5
100.11257	3.0
105.07040	0.6
109.02847	0.6
111.04442	0.9
114.09170	2.3
133.10132	0.5
142.08659	1.2
145.10104	0.4
147.11760	0.6
163.03984	0.4
168.13889	1.5
182.15390	1.8
187.14832	0.5
196.13382	1.2
203.05243	17.9
209.16512	0.7
210.14937	2.0
258.21780	1.0
273.14566	7.0
291.12119	1.5
291.15811	1.1
312.26346	0.5
368.25348	0.8
381.09225	0.4
422.30176	0.5
435.33417	1.6
453.20972	100.0
454.21307	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	453.2115
Annotation	Lemmonin A
Peak:m/z	Relative Intensity
52.03540	1.5
55.05491	1.6
65.03934	1.9
69.03417	3.1
70.74126	3.6
72.54655	1.3
81.03424	3.4
81.07059	2.5
85.02897	1.8
93.07030	1.6
95.04951	6.8
95.08597	1.7
95.88063	1.4
96.38672	1.4
97.02883	2.9
98.23407	1.8
99.94978	1.3
100.11252	3.2
105.17993	1.5
107.08579	1.9
109.02852	3.8
109.10191	2.0
111.04453	2.2
117.88377	1.4
121.02859	100.0
127.03905	2.7
139.03902	15.9
147.78668	1.5
175.37303	1.4
182.15414	2.1
187.07358	1.4
200.20087	1.7
204.57375	1.4
210.15045	1.5
259.06729	1.7
265.07077	6.8
283.08142	15.4
435.32837	2.2
453.34277	4.1
454.27826	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	453.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.5
57.07085	8.1
67.05499	30.8
69.07057	17.9
69.23302	31.8
71.04957	7.3
79.05494	22.9
81.07044	57.9
83.04967	100.0
83.08624	12.4
91.05472	31.4
93.07024	62.7
95.04964	17.8
95.08598	84.5
97.10156	13.1
98.23528	11.3
100.11274	8.7
105.07016	62.8
107.08583	80.2
109.10127	47.2
117.07031	11.6
119.08578	77.5
121.10140	42.6
123.08088	14.7
123.11704	20.1
125.09639	12.2
131.08589	29.1
133.10101	58.4
135.08070	5.9
135.11691	27.5
137.09494	6.2
143.08557	9.2
145.10124	53.7
147.11670	52.4
149.09651	6.9
149.13312	27.9
157.10100	10.9
159.11697	58.6
161.13220	46.6
163.14873	20.0
173.13281	22.3
175.14818	33.1
177.16397	20.3
187.14781	35.0
189.16350	76.3
191.17963	16.3
199.14748	7.9
201.16353	87.1
203.14142	6.0
203.17929	35.5
205.15862	14.3
213.16385	16.7
215.17953	21.4
217.15919	24.4
219.17499	16.0
227.18021	6.3
229.19699	7.0
229.31960	5.5
231.17517	9.7
231.59088	6.2
235.16907	10.7
241.19533	10.7
247.16907	14.9
258.63144	5.4
261.18518	12.0
267.20749	7.1
304.69409	5.6
349.28922	10.6
359.16492	5.8
389.31778	10.1
395.29453	10.5
407.33020	39.6
435.32367	12.2
453.16455	11.9
453.33832	51.7
470.91074	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	453.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96768	3.1
53.85466	2.7
55.05499	17.0
57.07063	6.6
57.85445	3.0
59.34141	3.1
67.05508	23.4
69.07061	25.0
69.18291	16.7
79.05486	19.4
81.07050	60.5
83.04971	19.7
83.08624	16.6
91.05473	23.1
93.07040	51.7
95.04962	10.9
95.08601	87.7
97.06519	5.8
97.10144	4.8
98.23508	6.5
100.11285	6.0
105.04613	3.5
105.07018	74.0
107.08582	82.9
109.06523	11.9
109.10149	56.9
111.08086	12.1
117.07021	6.7
119.08572	100.0
121.06495	4.7
121.10120	57.4
123.08054	6.6
123.11701	25.1
125.09624	7.8
128.06230	4.7
129.07018	4.5
131.08559	35.5
133.10103	68.4
133.11012	4.8
135.08052	5.1
135.11674	25.5
138.14934	4.6
142.07726	4.6
143.08569	16.7
144.09283	3.6
145.10104	66.8
147.08121	3.6
147.11682	44.5
149.09583	7.1
149.13237	20.4
151.11151	4.9
153.09077	7.4
157.10088	18.4
159.11687	61.3
161.09715	4.3
161.13249	29.5
163.11194	6.7
163.14807	24.3
165.12712	4.4
169.10104	5.5
171.11632	16.5
173.13240	36.7
175.11224	4.1
175.14803	46.4
177.12801	3.7
177.16344	35.2
185.13292	11.6
187.14786	83.9
189.12709	5.1
189.16379	89.1
190.16751	5.0
191.14305	28.0
191.17906	20.6
199.14844	24.4
201.16365	69.0
203.14331	13.5
203.17941	70.7
205.15865	63.9
205.19562	7.9
207.17465	6.2
213.16394	23.7
213.18132	4.2
215.14066	3.3
215.17944	23.2
217.15848	14.4
217.19533	4.9
219.17474	29.6
221.15433	5.1
225.22563	3.3
227.17908	9.1
229.15865	3.9
229.19525	5.9
231.17412	8.9
235.16849	16.1
241.19429	7.2
243.21133	6.4
247.16982	6.2
249.18530	8.6
255.21133	5.2
257.18796	3.9
261.18356	5.4
267.21072	5.7
283.24023	5.8
285.26312	3.8
389.31979	15.4
407.33127	67.7
408.33466	5.3
409.34598	4.2
423.32645	3.7
425.34052	10.5
426.85175	3.7
435.32797	20.1
453.33572	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	453.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.7
57.07060	6.3
59.50245	2.2
67.05499	23.0
69.07063	15.4
70.11528	3.7
70.11839	3.4
77.03888	3.0
79.05493	18.8
81.07048	52.9
83.04973	15.4
83.08611	10.3
91.05469	25.3
93.07037	45.6
95.04951	8.1
95.08600	66.6
97.06519	4.2
97.10197	5.1
97.53843	2.1
98.22727	2.6
105.07021	67.8
107.08586	68.3
109.06512	6.7
109.10146	38.5
111.08082	6.9
111.11731	2.5
117.07018	9.5
119.08568	100.0
120.08923	2.4
121.10138	47.9
123.08076	5.5
123.11694	19.7
125.09622	7.1
128.06239	2.9
129.06946	3.7
130.07709	2.2
131.08562	30.8
133.10114	58.7
135.11676	24.5
137.09560	4.8
141.06960	2.1
143.08495	11.2
144.09279	4.5
145.10106	54.6
147.11682	30.9
149.09558	2.9
149.13239	13.8
151.11183	9.4
153.09079	3.8
155.08556	2.1
156.49539	2.6
157.10127	14.3
158.10870	3.5
159.11684	55.0
161.13242	25.0
163.11200	4.6
163.14787	17.2
165.12674	3.1
169.10109	2.5
171.11699	11.2
172.12456	3.7
173.13240	26.1
175.14796	26.4
177.12689	3.8
177.16388	18.8
185.13301	5.1
187.14796	46.9
189.16347	66.5
190.16806	2.4
191.14229	12.8
191.17894	10.8
193.15771	3.5
197.13290	3.5
199.14777	13.5
201.16354	65.9
203.14098	2.6
203.17923	24.0
205.15833	19.9
205.19524	2.7
207.17444	3.6
213.16348	26.2
215.17915	30.3
217.13948	2.3
217.15863	13.6
217.19502	7.6
219.17422	43.0
227.17964	4.7
229.19495	3.6
231.17493	5.3
233.18942	5.3
235.16869	17.0
241.19559	7.3
243.17320	3.0
243.21049	5.7
245.18929	2.4
247.16882	6.8
255.21007	3.9
261.18463	10.5
267.20987	6.6
323.14822	2.3
379.70407	2.5
389.31873	10.5
407.33054	55.8
409.34558	3.7
423.32272	5.2
435.32498	11.4
453.33591	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	453.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.05503	17.4
57.07062	5.1
65.03921	1.8
66.99639	1.5
67.05502	26.2
69.03423	1.7
69.07062	19.5
70.13517	4.0
71.05001	1.7
72.15025	1.6
79.05482	22.4
81.07051	57.8
83.04977	22.8
83.08623	9.2
85.06580	2.5
91.05469	33.6
91.05988	2.9
93.07040	44.8
95.04962	11.1
95.08598	82.5
97.06522	3.6
97.10175	6.2
100.11236	1.9
103.05417	2.2
105.04517	2.6
105.07018	81.5
106.07382	3.0
107.08583	87.6
109.06532	8.0
109.10146	45.2
111.08087	6.7
115.05423	2.3
117.07014	8.9
119.08574	100.0
121.06529	2.6
121.10136	66.1
123.08076	7.1
123.11684	21.0
125.09645	4.9
129.07013	5.4
130.07790	2.2
131.08557	34.3
131.09471	3.2
133.10120	67.2
135.08112	3.0
135.11697	27.0
137.09627	1.9
137.13229	2.7
139.84744	1.8
142.07747	3.1
143.08525	13.4
144.09366	3.1
145.10109	61.4
146.10640	1.9
147.11668	45.1
149.09596	3.9
149.13261	18.9
151.11200	7.0
153.09129	3.3
155.08563	2.7
156.09320	3.3
157.10139	17.4
159.11678	48.7
161.09605	2.2
161.13242	32.4
163.11183	5.2
163.14781	24.5
169.10124	12.7
170.10474	11.8
171.11694	14.4
172.12421	3.8
173.13225	26.3
175.14818	37.0
177.12732	3.6
177.16380	32.0
183.11678	2.1
184.12373	1.9
185.13181	8.0
187.14807	54.9
189.12775	2.9
189.16368	69.5
191.14308	16.1
191.17955	16.1
193.15891	4.5
195.11758	1.7
197.13196	2.3
199.14809	18.1
201.16368	63.7
202.16696	3.1
203.14317	6.8
203.17926	58.6
204.18462	2.1
205.15857	31.2
205.19365	4.3
207.17436	5.2
211.14746	2.7
213.16362	24.7
215.14346	1.6
215.17915	22.2
217.15874	12.6
217.19507	9.8
219.17435	31.0
221.15376	3.3
225.16515	2.8
227.17947	5.3
229.19533	2.9
231.17554	4.8
231.20950	3.1
233.18994	4.1
235.16891	10.3
239.17926	2.2
241.19588	4.5
243.17369	3.8
243.21033	4.9
245.22713	2.9
247.16946	4.9
249.18489	5.6
255.21104	4.1
257.18903	2.0
257.22644	1.9
261.18561	4.7
267.21109	4.6
379.33646	2.6
389.31891	9.2
391.33356	1.7
407.27985	3.3
407.33051	51.1
408.33215	5.0
409.34686	7.8
423.32474	4.6
425.34277	4.3
435.32571	9.5
453.33627	37.3
454.33911	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3361
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05510	23.4
57.07058	4.2
65.03941	3.3
67.05496	27.5
69.03413	3.7
69.07072	24.7
77.03938	3.7
79.05489	21.9
81.03414	2.9
81.07050	55.7
83.04967	14.9
83.08620	11.7
85.06547	2.4
91.05473	29.2
93.07036	44.7
95.04963	10.7
95.08595	82.2
96.78744	3.0
97.06502	3.3
97.10159	6.8
100.11238	19.4
105.07023	63.8
106.07311	3.7
107.08590	74.1
109.02891	2.5
109.06538	7.8
109.10150	55.9
111.04477	3.6
111.08112	7.5
115.05434	2.9
117.07038	13.3
119.08578	100.0
119.09426	6.0
121.10139	51.6
123.08057	9.9
123.11684	16.0
125.09616	6.4
129.06992	5.0
130.07785	3.0
131.08556	33.0
133.10123	55.3
135.08006	3.0
135.11685	23.1
136.06125	4.0
137.09618	7.2
142.07764	2.9
143.08514	15.7
144.09369	4.0
145.10107	66.1
147.11685	40.3
149.02325	8.7
149.09607	4.4
149.13264	15.2
151.07576	2.6
151.11124	5.6
153.09012	4.5
157.10106	20.6
158.10925	3.7
159.10378	3.2
159.11687	65.4
161.09604	4.2
161.13245	31.3
163.03932	3.4
163.11139	2.7
163.14813	18.7
171.11662	15.4
173.13258	31.4
175.14803	38.7
177.12753	3.5
177.16351	25.4
182.15401	8.1
183.11655	5.5
185.13210	9.0
186.13875	3.7
187.14809	60.8
187.16499	2.9
189.12764	7.2
189.16364	77.4
191.14366	21.9
191.17929	12.8
199.14819	18.1
201.16368	71.1
203.14362	5.6
203.17940	40.8
205.15858	35.1
205.19298	3.0
207.17395	3.5
210.14877	4.9
211.14806	5.9
213.16370	24.5
215.14336	3.2
215.17937	29.3
217.15913	14.6
217.19533	7.4
219.17383	32.5
221.15244	4.0
225.16269	3.9
226.19167	3.4
227.17822	7.9
229.19582	4.8
231.17438	11.9
233.19003	5.2
235.17007	14.5
241.19527	8.0
243.21228	4.0
247.16968	8.3
249.18533	5.5
255.21030	5.2
261.18546	6.0
267.20999	4.6
269.22678	3.1
379.11868	3.1
389.32022	10.6
404.20926	2.6
407.33063	56.6
408.33118	4.3
423.32440	5.3
425.34158	5.0
429.40341	2.8
435.32593	19.7
453.33765	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67675	2.0
51.40368	1.9
55.05504	12.7
56.05856	2.5
69.01655	2.2
70.07387	2.2
70.69093	3.9
75.04480	15.6
79.05521	2.6
83.08628	5.7
91.05494	3.2
100.07647	3.1
100.11247	55.5
101.11572	13.2
107.04963	3.6
108.08134	2.6
110.06041	2.8
111.04481	3.1
118.46261	2.4
121.06516	6.1
122.06032	3.0
123.04471	6.5
128.07074	5.6
135.04411	2.6
136.07593	9.5
137.05997	18.2
138.05502	11.9
138.09088	3.1
139.08704	2.8
145.02962	2.0
151.06282	2.7
152.07027	24.8
153.07869	17.4
163.03925	8.9
164.03412	25.6
166.08618	22.3
168.06616	10.8
179.05821	7.4
182.15379	12.0
183.15817	6.8
187.07489	4.7
188.07903	3.5
194.08147	4.8
196.06042	17.2
197.08125	3.9
209.08069	5.2
209.16498	15.0
210.14920	11.9
210.16875	6.5
211.08372	60.9
211.15149	5.7
224.09248	5.4
224.98552	2.5
226.10704	50.2
226.12749	3.1
226.19168	5.8
234.96838	3.6
251.98355	3.0
252.97913	5.6
258.13348	100.0
259.13727	2.7
337.23248	2.4
338.99576	4.1
358.12897	3.5
435.33258	7.5
436.33575	19.6
453.34277	27.8
454.34607	69.4
454.40628	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	454.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48139	3.4
55.92252	3.3
56.86271	3.2
57.03448	4.5
60.78653	4.1
67.05496	6.7
69.03423	17.0
69.07058	10.2
69.77179	11.8
70.06583	9.3
71.04979	4.8
81.03401	8.9
81.07036	5.2
85.02900	45.5
87.00818	26.5
89.60938	3.5
91.05469	5.6
93.07045	16.2
95.08608	12.4
97.02905	17.0
97.06529	10.9
99.04462	6.3
105.01854	66.6
107.08591	31.7
109.02875	15.4
109.10138	19.2
117.03729	3.2
127.03915	37.1
135.11679	73.0
145.04929	24.0
153.12735	100.0
160.93686	4.0
171.13742	8.3
193.86818	3.6
226.13243	3.6
231.04973	18.8
249.06038	27.0
273.44635	3.4
292.07858	5.1
454.13989	7.6
454.21204	4.4
455.22043	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	454.2929
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05503	4.2
57.03434	4.9
57.07070	27.4
62.05783	1.4
62.06083	25.2
67.05489	4.5
69.07049	4.1
71.08624	16.5
72.64206	0.7
80.46735	0.7
81.07052	7.5
83.04945	2.4
83.08604	4.7
85.10172	9.4
89.06022	1.0
91.05463	2.0
93.06995	1.3
95.08018	1.1
95.08595	13.2
96.08954	0.7
97.10151	2.2
98.98433	7.2
105.07007	2.6
107.08575	1.6
109.10146	5.1
119.08541	3.1
123.11697	1.4
124.01578	1.5
133.10126	2.0
134.30486	0.8
142.02614	1.3
147.11641	5.7
155.01018	6.8
181.06468	0.7
198.05353	1.4
203.17929	10.3
216.06308	2.0
225.08968	1.0
234.10510	0.7
239.23584	1.7
245.29443	0.8
256.26315	1.0
282.27878	12.7
283.28363	1.3
309.33618	0.9
313.27325	100.0
314.27811	5.2
364.82895	0.9
393.23923	5.4
436.28116	2.7
454.33664	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.9
57.07063	1.9
61.29891	1.2
65.53509	1.3
67.05505	10.5
69.07052	6.3
69.30592	6.7
79.05481	8.4
81.07053	15.9
83.04971	10.4
83.08613	1.9
85.06532	1.3
91.05486	14.4
93.07041	16.9
95.08595	27.5
97.78873	1.2
99.04461	3.3
105.07018	60.1
106.07357	2.0
107.08580	21.8
109.10151	20.0
117.07030	2.1
119.08567	43.5
121.10132	12.5
123.11710	7.0
129.22353	1.3
131.08607	3.1
133.10129	26.1
134.10484	1.8
135.11682	4.5
145.10091	5.0
147.11673	93.7
148.11974	2.2
149.13295	1.7
151.11163	1.8
159.11681	4.0
160.12381	1.9
161.13228	14.4
163.14784	5.0
164.44800	1.4
165.12689	2.1
175.14816	5.4
203.17935	100.0
204.18245	3.7
215.20949	1.6
221.18948	2.2
421.08829	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.2
61.17295	2.4
66.16797	2.1
67.05497	13.4
69.07050	10.9
69.15781	14.9
79.05491	12.1
81.07040	30.4
83.04971	8.1
83.08618	3.8
85.06532	4.6
89.56326	2.6
91.05477	18.1
91.58631	2.2
93.07037	41.4
93.07601	3.7
95.04940	6.0
95.08602	32.1
95.13486	2.7
97.06517	4.1
97.10105	2.6
98.22721	5.9
105.07022	57.9
107.08588	26.5
109.06503	8.5
109.10150	9.2
117.06971	13.4
119.08574	48.6
121.06510	7.3
121.10145	21.2
123.08053	4.7
129.07036	5.6
131.08560	25.3
133.10112	33.2
135.08017	3.9
135.11662	11.5
142.07756	7.9
143.08556	8.4
144.09329	11.4
145.10110	8.9
147.11693	24.7
149.13226	15.3
157.10115	20.3
159.11682	100.0
159.41609	2.4
160.11951	5.8
161.09682	4.2
161.13240	27.0
171.11694	3.6
173.13235	8.2
175.14845	3.4
177.12723	54.4
189.16367	13.7
199.14777	19.9
203.17993	7.5
217.15837	32.1
234.18607	3.3
235.16898	8.9
237.08797	2.2
288.58875	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.1
55.71261	1.0
57.07066	2.0
58.57159	1.2
67.05498	8.8
69.07060	7.0
70.57975	1.8
71.51804	1.1
79.05483	7.8
80.00585	1.1
81.07045	17.5
83.04988	12.4
83.08601	1.8
83.25582	1.1
84.39926	1.1
86.22998	1.1
88.98127	1.0
91.05473	14.3
93.07041	15.5
95.04958	1.6
95.08598	29.9
99.04440	1.9
105.07018	57.8
107.08577	21.6
109.10138	21.1
117.06992	2.1
119.08566	39.6
120.08899	1.1
121.10125	11.4
123.11689	4.9
131.08580	3.9
133.10109	29.5
135.11693	3.6
145.10086	2.9
147.11674	100.0
148.11975	2.3
149.13222	1.4
151.11176	1.3
158.01857	1.2
159.11639	3.8
160.12494	2.4
161.13258	18.1
163.14804	4.6
166.13274	1.1
175.14804	3.1
177.12730	1.7
177.16524	1.3
190.86522	1.1
197.60634	1.3
203.17928	91.3
204.18303	3.2
217.46629	1.4
221.19011	3.0
231.25481	1.1
235.59229	1.1
313.46228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	32.6
62.18861	9.4
67.05498	18.5
69.07053	15.3
79.05502	12.2
81.07050	42.3
83.04974	100.0
83.08543	9.2
90.36112	9.4
93.07042	22.6
95.08611	47.7
97.06586	9.2
101.06031	18.5
105.07032	39.6
109.10131	20.8
116.14123	11.1
117.07047	12.0
119.08578	45.0
121.10126	22.0
133.10133	18.5
135.11694	17.0
145.10124	66.4
147.11697	11.1
152.31989	10.4
156.25697	9.6
157.10074	13.4
159.11708	37.6
175.14798	24.3
193.16017	11.6
201.16463	49.1
213.94727	12.8
217.05121	11.5
219.17482	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	454.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.1
57.07075	1.7
67.05498	5.9
69.07067	6.3
77.30281	1.4
79.05486	5.2
81.07041	12.8
83.04991	9.5
83.08608	2.1
91.05466	10.1
93.07015	9.7
95.08593	24.2
99.04449	2.6
105.07017	43.8
107.08592	15.0
109.10142	16.6
115.39548	1.3
116.04718	1.4
119.08564	29.0
121.09324	2.0
121.10106	9.5
123.11694	4.4
129.33879	1.6
131.08582	3.0
133.10104	24.1
135.11682	3.1
145.10086	2.2
147.11664	83.5
148.12003	1.7
161.13229	12.2
163.14809	5.3
175.14771	2.5
176.02982	1.4
203.17923	100.0
221.19107	1.6
224.73230	1.4
269.43283	1.6
318.50568	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.05513	37.0
57.07069	6.3
66.22399	3.4
67.05486	19.0
69.07054	14.8
79.05482	18.6
81.07055	40.2
83.04975	100.0
83.08611	6.5
85.06522	7.9
91.05466	32.4
93.07030	38.6
95.08595	38.1
101.06020	31.1
105.07019	54.5
106.06495	3.0
107.08576	37.3
109.06521	3.3
109.10162	20.5
117.07014	30.5
119.08579	30.3
121.10147	58.9
123.08010	3.9
123.11726	3.5
125.09608	3.6
130.07777	7.4
131.08574	32.1
133.10118	34.6
135.11684	40.9
145.10120	75.8
147.11705	8.7
149.09628	6.9
159.11673	46.3
161.13255	18.1
163.11162	10.7
173.13272	7.3
175.14883	3.3
183.10170	10.6
186.14029	6.9
189.16341	15.3
191.17979	8.6
201.16368	86.3
219.17426	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	454.316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35386	4.7
52.01481	4.8
53.37077	4.3
53.97761	5.5
55.05273	6.9
55.05507	41.7
57.03410	4.7
63.79661	4.4
65.70649	4.3
67.05499	14.4
69.07076	12.3
69.12971	9.7
69.13368	29.1
72.68726	5.1
79.05473	7.8
81.07050	51.6
81.21605	5.3
83.04977	100.0
83.08604	12.3
87.82329	4.8
91.05482	20.8
93.07024	29.1
95.04953	6.4
95.08586	38.1
96.57788	5.0
97.06513	6.4
101.06009	30.1
105.07024	43.7
107.08570	29.7
109.10149	20.0
113.03813	5.5
117.07021	15.3
119.08566	62.7
121.10149	28.2
123.11734	10.4
131.08571	22.1
133.10130	21.5
135.11673	19.5
145.10120	72.1
147.11742	12.6
159.11687	54.2
161.13242	13.7
163.11194	14.6
173.13266	12.5
175.14847	25.1
183.10191	7.5
191.17946	10.5
193.15863	7.9
201.16370	75.6
219.17398	43.2
222.91270	5.1
238.83865	5.1
368.70767	6.1
394.42139	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	454.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97052	4.4
55.05513	26.8
57.07069	19.3
62.06080	20.5
67.05504	18.6
68.42693	3.9
69.07072	11.8
71.08636	12.1
79.05494	15.8
81.07046	39.8
83.04974	54.3
83.08620	4.6
85.10168	4.8
89.06008	4.2
91.05478	27.1
93.07038	27.6
94.41457	3.4
95.04933	4.7
95.08601	51.4
98.98404	4.8
100.95286	4.5
101.06018	12.8
105.07025	81.0
106.07355	4.1
107.08598	41.0
109.10123	24.4
117.07020	11.3
119.08569	54.1
121.10119	18.3
123.11707	5.7
130.07800	5.7
131.08554	35.9
133.10095	33.7
135.11707	6.5
143.08633	5.6
144.09325	9.7
145.10110	56.8
147.11699	41.4
149.13361	4.5
155.00932	6.3
157.10143	5.3
159.11674	93.9
161.13249	53.8
163.14737	8.2
172.24809	3.8
173.13266	6.6
177.12769	4.5
181.06441	4.2
189.16360	4.8
201.16368	100.0
202.16696	5.4
203.17921	34.3
219.17438	83.4
243.84389	4.2
256.26526	4.7
282.27911	14.0
313.27344	68.5
314.27481	5.4
448.34195	4.5
454.33514	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	454.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	41.3
57.42988	6.0
67.05485	8.2
69.07053	23.8
79.05482	10.5
79.09423	5.9
81.07050	19.1
82.59422	5.4
83.04974	100.0
83.08566	6.6
91.05476	16.3
93.07032	23.3
95.08598	31.1
97.06512	7.3
98.23508	14.0
101.06031	38.2
105.07026	38.7
107.08583	38.4
109.10177	15.7
116.64513	6.4
117.07046	9.0
119.08565	22.1
121.10125	41.6
122.01136	5.8
123.11707	9.8
131.08553	27.0
133.10097	25.5
135.11684	21.0
145.10110	40.0
147.11684	22.3
159.11694	29.5
161.13246	8.8
175.14758	26.2
183.10159	6.2
191.17944	25.5
201.16385	51.1
219.17343	40.7
394.59076	6.3
418.52750	5.8
454.17136	8.8
454.34402	6.7
455.23703	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	454.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87966	12.8
55.05513	24.6
57.31502	10.1
57.69636	11.6
59.26425	12.8
67.05509	29.2
69.07071	19.2
79.05489	32.3
81.07050	38.3
81.41366	13.3
83.04991	84.6
85.32288	10.7
91.05472	29.6
93.07031	48.8
95.08601	48.6
101.05991	38.9
105.07012	52.9
107.08578	41.8
109.10135	20.6
117.06994	21.9
119.08558	43.2
121.10134	49.8
131.08560	37.7
132.58340	11.4
133.10109	40.9
135.11649	36.1
137.32016	11.6
145.10124	79.1
147.11740	13.2
149.09492	13.6
150.46626	11.0
151.20683	13.2
159.11710	39.3
161.13264	15.1
163.11064	19.7
189.16365	14.6
201.16386	100.0
219.17438	54.2
256.32785	12.8
415.98285	12.7
456.22101	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	454.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	2.2
56.09185	0.8
57.07072	34.9
66.97230	0.9
69.07055	1.2
69.10319	6.2
69.88066	0.8
71.08626	23.8
73.06541	5.6
83.08598	2.5
85.09691	1.7
85.10178	19.9
85.10693	1.3
87.04445	2.1
89.06025	100.0
90.06351	1.0
91.07584	1.0
92.11337	0.9
97.10143	2.8
99.11724	3.5
107.07056	2.6
113.13261	2.1
117.09094	4.8
130.08688	1.1
133.08594	43.1
149.39224	0.8
155.17958	4.9
177.11200	17.7
181.63260	1.0
195.12251	2.1
199.20576	4.0
221.13719	1.7
226.45277	1.0
239.14896	2.9
243.23164	9.2
259.73657	0.9
283.17508	15.7
287.25699	3.5
289.84268	0.9
350.24014	0.9
393.32376	1.2
437.34726	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	455.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35586	1.0
56.96560	46.6
56.96841	2.6
63.65219	1.2
69.03426	2.4
70.06585	9.8
70.98116	5.5
71.23753	1.0
74.97635	1.9
77.06577	1.1
81.03432	1.5
84.04510	1.5
84.96027	15.9
85.02919	3.3
85.63812	1.1
86.09693	5.4
88.99177	1.5
91.05473	1.3
97.02900	2.9
98.97573	100.0
102.97065	1.8
107.08566	1.2
109.02882	1.9
109.10175	1.6
110.97556	24.3
112.99152	5.3
116.07111	2.8
116.98611	55.1
119.08561	2.6
121.10143	1.3
123.08053	1.5
124.99161	1.6
127.03911	2.7
128.98590	38.5
131.00140	8.1
134.99643	16.9
137.09589	1.2
140.98598	4.5
143.00153	13.4
144.98094	3.3
145.02890	1.5
146.99629	21.8
147.04457	1.3
147.11682	2.8
149.01225	4.1
152.98590	1.8
155.00278	1.5
158.99638	11.2
161.01213	23.1
162.99181	3.8
165.00714	1.8
170.99600	6.1
175.00641	1.7
177.00681	15.7
177.05566	2.2
179.02232	7.5
179.09131	1.3
181.05020	1.3
182.99648	2.8
189.00703	9.4
193.01772	4.8
194.99651	1.3
195.01732	2.4
195.03357	1.9
201.00708	8.9
203.05295	2.7
206.54950	1.2
207.03304	1.7
208.00452	3.2
210.02086	1.5
213.00702	4.5
219.01746	51.6
225.04317	8.6
225.14943	1.4
229.15596	1.6
233.01311	2.1
235.99962	4.8
237.02786	89.7
238.03094	1.9
239.02295	1.4
242.03378	2.1
243.05295	2.9
251.02213	1.3
254.01073	3.7
255.03903	5.7
260.04199	2.4
261.02780	18.0
269.03287	28.1
279.03854	23.1
280.03754	1.2
287.04367	34.4
293.03299	3.1
302.05615	1.6
311.04279	9.8
329.05637	2.9
335.04300	4.0
337.05911	2.8
347.04294	10.6
353.05441	3.4
355.07071	2.2
365.01047	1.3
365.05377	3.5
377.05505	4.0
379.17297	2.4
395.06418	43.7
396.07248	1.2
397.18399	15.3
413.07504	62.5
414.07742	2.3
431.08472	1.3
436.09198	3.2
454.21042	2.7
455.08710	5.8
455.14856	12.6
455.22348	75.2
456.22717	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31120	0.7
70.47594	1.2
85.46874	0.7
112.89583	1.6
155.30025	0.9
156.89577	0.8
191.54530	0.8
409.59113	0.9
455.11557	100.0
456.12030	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	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13994	0.7
69.80724	0.8
70.06582	1.3
81.03403	1.6
84.08084	0.8
98.46660	0.8
113.02091	6.2
128.79187	0.9
151.03859	1.1
171.06537	0.9
173.71748	0.9
181.04932	8.1
211.99167	0.8
252.32045	0.8
263.05264	1.2
293.13501	1.7
345.07874	1.2
365.08417	29.0
366.08673	1.3
383.09418	10.7
455.11270	100.0
455.86914	0.8
456.11545	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	455.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28112	3.2
58.81855	3.9
70.06606	8.3
71.43169	4.4
72.34953	3.3
84.96008	6.7
95.06077	12.8
113.07121	39.8
135.04485	5.1
163.03954	11.9
177.00732	4.3
181.04890	11.3
191.03409	4.7
208.18660	3.5
215.13965	4.3
226.99966	3.7
395.98886	7.5
398.05225	3.8
411.16345	4.3
432.01260	6.7
437.27481	5.5
454.27832	14.7
455.13141	100.0
455.22333	6.0
455.28067	42.9
456.13181	6.8
456.18506	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	455.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01773	0.2
55.05505	0.3
56.03772	0.2
57.08677	0.2
59.03737	0.5
65.03925	1.2
69.03416	2.0
69.47924	0.1
70.69811	0.3
73.04007	0.3
81.03416	0.5
83.08614	0.2
85.02905	0.3
87.01875	0.1
89.03911	0.2
89.35471	0.2
91.05470	11.4
92.05808	0.3
97.02876	0.5
99.01753	0.2
100.11243	0.6
101.05874	8.9
107.04964	0.2
107.08524	0.2
109.02838	0.3
111.04516	0.1
117.03378	0.2
119.04929	25.4
120.05278	0.6
127.03902	1.2
135.04439	0.8
145.02864	0.5
147.04382	100.0
148.04729	2.8
163.03894	2.1
165.05489	0.5
169.16960	0.2
182.15317	0.2
194.97392	0.4
195.98193	0.2
212.98413	0.3
215.61755	0.2
223.97749	0.3
234.96814	0.9
251.98299	0.4
252.97897	1.9
291.08640	1.8
309.09753	2.2
338.99521	1.7
339.99905	0.5
367.99652	0.6
436.33459	0.2
454.34332	0.6
455.34351	0.3
460.81937	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1523
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
56.20435	0.5
70.06575	0.7
70.44765	0.9
95.06081	0.5
98.23446	0.6
98.97552	0.7
105.66110	0.5
113.07118	2.1
125.49139	0.5
140.99330	0.5
143.08032	0.5
144.38583	0.5
158.00044	0.7
159.00316	0.6
159.99788	0.7
181.04893	0.6
289.05249	0.7
455.15222	100.0
456.15466	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	455.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	1.9
67.05495	0.6
67.80506	0.3
68.99768	1.5
69.03434	0.3
69.07050	0.5
72.74863	0.3
79.05491	0.8
81.07033	1.0
85.02861	0.5
91.05466	1.1
93.07008	0.4
95.04962	1.0
100.11256	0.4
105.07001	0.6
107.04919	0.5
114.80307	0.3
115.05467	0.8
117.03360	0.5
117.07030	0.4
118.04169	0.3
119.04943	1.5
119.08564	1.3
121.06478	1.2
123.04421	18.8
128.06282	0.4
131.04962	0.3
132.05743	0.4
133.06454	0.9
133.10056	0.4
135.04396	0.6
137.05974	4.5
142.00546	0.3
143.08563	1.0
145.02859	1.5
145.06435	0.4
147.04390	3.9
148.05127	0.9
149.05974	6.8
149.09612	0.4
150.06288	0.4
151.03897	5.3
160.05188	5.6
161.05974	6.9
161.09618	1.3
163.03828	0.6
163.07530	1.9
164.04662	2.2
165.05461	5.4
174.06769	2.4
175.07542	0.4
177.05466	3.1
177.09120	0.9
178.06157	0.3
179.10646	0.8
185.09457	0.4
189.05434	0.4
189.09082	8.7
190.09512	0.4
207.10147	100.0
208.10510	3.8
219.10143	2.3
247.09673	0.4
249.11163	3.9
259.13309	0.7
273.11172	2.4
315.12225	2.9
333.13260	0.4
376.96594	0.3
419.13129	1.3
455.20505	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	455.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
58.20331	0.5
60.46888	0.6
69.02350	0.5
69.19778	2.2
69.20183	1.0
79.05502	0.7
81.07031	0.6
85.02896	0.6
89.03926	0.9
91.05473	1.0
93.07057	0.8
95.08596	0.8
105.07034	0.7
107.08597	1.9
109.10181	0.7
117.03407	0.5
121.10170	1.5
135.04384	1.8
145.02859	1.0
145.10098	0.6
147.11681	0.6
151.19400	0.6
154.66422	0.6
159.11775	0.6
163.03873	6.0
185.04221	0.6
203.05247	0.6
207.13554	0.9
211.07565	0.5
227.05304	1.7
229.08549	0.9
245.06313	1.1
289.05386	2.9
369.18713	8.3
393.18839	1.6
411.19873	26.2
412.20401	1.3
437.17838	2.0
455.18829	100.0
456.19171	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	455.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62037	0.4
57.33999	0.4
64.03917	0.4
67.05486	0.5
69.03450	0.5
70.06580	0.7
90.22196	0.4
93.07042	0.9
95.04935	0.4
105.07055	0.6
107.08544	0.6
143.03159	0.8
147.04379	0.7
163.03909	2.3
176.54832	0.4
194.89647	0.5
203.05284	6.0
231.13568	1.6
252.98340	0.4
259.68417	0.4
275.12479	0.8
281.58755	0.5
293.13583	16.0
294.14108	0.6
380.60770	0.5
381.90884	0.5
455.18851	100.0
456.18967	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	455.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85372	0.6
63.34686	0.5
71.42696	0.8
83.01083	0.7
88.35297	0.5
88.41625	0.5
100.70816	0.5
105.07021	0.7
130.49251	0.5
147.17998	0.5
151.07530	8.4
192.21429	0.5
209.77310	0.5
287.13806	0.7
382.64743	0.5
395.18271	22.6
396.18683	1.2
455.20355	100.0
456.20773	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	455.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	1.0
70.06588	3.4
74.48915	0.5
81.07050	0.8
83.73190	0.6
85.02901	1.1
88.08436	0.6
98.97558	3.5
103.69939	0.7
105.07056	0.7
110.97587	1.3
116.98605	1.6
119.08578	0.9
127.03822	0.8
128.98611	1.2
134.99695	0.7
143.00136	0.8
163.03906	0.7
171.36818	0.7
177.00775	0.9
181.45758	0.6
199.10808	0.7
219.01772	1.9
237.02826	2.6
252.26421	0.7
269.03296	0.9
287.04477	0.9
332.31967	0.7
334.57516	0.8
357.74182	0.7
379.17172	4.3
395.06604	1.6
397.18311	21.1
398.18555	1.4
411.20920	0.6
413.07648	1.9
419.09415	2.3
437.10526	2.4
437.21790	0.9
455.22464	100.0
456.22818	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	455.2404
Annotation	Trp Ile His
Peak:m/z	Relative Intensity
52.44207	1.0
54.60292	0.7
69.76974	2.2
75.24342	0.7
81.07025	0.7
83.04958	1.1
106.67992	0.8
119.08568	1.0
121.10136	0.8
131.66847	0.9
213.92102	1.0
291.19296	13.6
369.26001	1.4
411.27136	9.5
455.23993	100.0
456.24274	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	455.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44293	4.1
55.05510	81.7
57.03434	18.4
57.07079	8.2
59.05001	10.8
65.23923	4.0
66.70007	4.8
67.05495	25.6
69.03421	8.9
69.07063	33.7
69.76694	13.2
69.77037	7.8
71.04994	9.0
73.06554	17.5
79.05488	28.0
81.07053	58.9
83.04982	100.0
83.08626	9.9
85.06548	7.0
85.41039	4.2
88.66885	4.8
91.05451	22.5
91.27442	4.9
93.07036	56.2
95.04980	11.4
95.08609	77.0
97.06536	6.4
97.10160	7.7
97.67005	4.1
101.06015	98.6
105.07026	45.1
107.08590	90.5
108.08868	4.7
109.06545	9.6
109.10152	46.9
111.08060	14.7
117.06998	11.5
119.07045	15.2
119.08573	45.2
121.10133	64.5
123.08084	8.6
123.11697	21.2
125.09636	11.6
131.08554	13.8
133.10112	29.5
135.08084	9.2
135.11676	38.1
145.10109	35.0
147.11681	15.9
149.09628	10.2
149.13255	16.4
151.11226	5.5
153.09074	5.4
159.11687	62.1
161.13280	20.2
163.11168	29.6
163.14836	11.6
175.14883	9.8
177.12782	14.2
179.14272	6.0
181.12230	14.3
183.10150	5.5
191.17941	22.2
197.15706	4.3
201.11212	13.9
201.16388	43.6
219.17455	79.9
237.18456	86.6
255.19615	8.2
461.66565	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	455.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	94.7
56.45497	9.1
57.07056	10.2
59.04999	13.3
67.05502	38.0
69.03446	10.6
69.07056	29.4
69.73919	8.9
73.06567	25.7
79.05500	39.0
81.07051	64.1
83.04977	89.1
85.06509	13.5
91.05495	32.9
93.07037	72.8
95.08604	70.8
95.09131	10.4
101.06007	100.0
105.06998	51.0
107.08584	94.8
109.10141	58.2
111.08060	21.8
111.52052	10.0
117.07017	11.6
119.07021	11.9
119.08590	32.8
121.10130	65.6
123.11726	25.3
124.20251	9.7
131.08592	15.1
133.10129	28.4
135.08023	15.3
135.11688	49.4
145.10110	25.9
147.11639	13.3
149.13301	20.1
159.11667	64.6
161.13269	31.7
163.11189	30.9
177.12793	21.2
191.17961	17.2
200.24350	9.1
201.11134	10.3
201.16362	49.4
219.17422	60.7
237.18466	71.2
248.45506	10.4
335.21667	11.6
470.90945	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.0
57.07068	1.5
66.21642	1.2
67.05499	5.4
69.07059	7.0
71.42825	1.8
72.07617	1.1
75.82303	1.2
79.05497	6.5
81.07050	10.6
81.25878	1.2
83.04994	1.5
83.08614	4.5
91.05484	4.8
92.25243	1.4
93.07030	10.4
95.04932	1.5
95.08594	22.8
97.10155	2.0
105.07022	10.0
107.02460	1.3
107.08582	30.7
109.10139	11.0
111.08109	1.6
117.07017	2.2
119.08569	17.8
121.10130	19.7
123.11734	3.7
131.08563	3.0
133.10110	17.6
135.11664	8.4
143.08484	1.8
144.09360	1.1
145.10103	11.5
147.11638	9.0
149.13246	4.5
153.09114	1.5
159.11694	5.8
161.13271	6.0
163.11177	9.4
163.14830	3.6
165.09155	1.4
172.12398	1.2
173.13249	3.3
175.14793	13.4
176.91396	1.2
177.16396	19.7
179.14354	1.6
187.14815	10.4
188.51106	1.2
189.16364	8.1
191.17957	4.2
201.16348	5.7
203.17935	21.6
205.15857	100.0
205.19466	4.0
206.16246	4.1
207.17447	4.6
213.16460	1.7
215.17873	4.0
219.17403	3.3
229.19614	1.5
235.17137	1.5
249.18468	7.2
295.24100	3.0
313.25159	8.6
339.26810	2.1
387.58569	1.3
409.34625	32.7
410.34744	2.8
437.34079	9.3
455.35294	9.9
456.35904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
52.68111	3.2
55.05505	9.3
57.03412	3.0
63.69064	3.0
67.05506	20.7
67.13480	2.7
67.28185	2.9
69.07068	13.9
69.77761	11.9
71.08575	3.1
79.05476	15.2
81.07047	28.8
83.08626	7.0
91.05495	10.0
93.07049	23.3
95.08604	54.2
105.07029	22.4
107.08591	46.9
109.10152	24.6
119.08601	31.4
120.96658	8.1
121.10139	45.5
123.11714	14.1
131.08583	5.3
133.10115	33.7
135.11693	14.0
145.10065	18.5
147.11684	26.7
149.13266	22.7
153.09073	4.0
159.11705	16.0
161.13194	14.7
163.11214	6.6
163.14766	23.1
173.13254	3.5
175.14784	19.7
177.16365	39.1
179.14186	4.0
187.14775	21.7
189.16370	33.8
191.17984	9.6
201.16437	11.2
203.17938	100.0
204.18294	5.7
205.15875	71.1
205.19585	4.7
206.16231	4.5
207.17491	8.6
215.18034	5.3
219.17517	9.1
225.08975	4.3
231.21054	5.1
233.19080	4.8
249.18492	10.2
314.27701	12.4
335.25745	11.2
391.33344	6.4
409.34647	99.4
410.35016	7.0
417.86017	3.1
437.34210	17.9
455.21420	8.4
455.34854	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69262	1.6
55.93541	2.1
72.98032	1.7
75.36905	2.0
89.03911	12.7
91.05472	1.9
95.01417	1.7
100.11284	1.6
107.04993	6.1
117.03369	12.0
118.39587	1.6
120.18543	1.7
135.04405	28.8
135.05359	2.3
135.61528	1.6
145.02821	17.6
145.03743	1.6
163.03885	100.0
164.04282	5.3
178.97926	2.7
194.97433	2.8
195.97824	2.3
200.98573	2.0
205.96675	3.0
206.97531	4.0
208.99049	1.9
212.98642	3.1
216.95943	4.1
223.97678	3.6
224.98392	8.2
234.96858	31.4
235.97556	3.6
248.94785	2.8
252.97922	71.9
253.98299	6.8
257.98590	3.0
270.99228	2.4
275.99753	1.7
325.01559	2.4
338.99445	3.9
339.99814	10.2
340.12677	2.2
341.00653	2.7
350.99448	30.6
353.01001	18.7
369.00339	15.4
378.98972	10.8
387.01685	8.0
397.00009	14.0
415.00903	4.9
433.02173	6.8
455.34909	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.6
67.05499	6.5
69.07059	7.9
75.03232	2.9
79.05476	7.2
81.07047	14.1
83.04971	18.1
85.06553	2.8
87.84753	3.1
88.17017	3.2
89.06004	2.9
91.05463	16.1
93.07047	10.7
95.08604	13.9
105.07037	25.7
107.08595	15.1
109.10166	7.4
112.19056	2.8
117.06992	22.6
119.08578	20.2
121.10151	7.4
130.07787	4.0
131.08525	20.5
133.10112	10.2
142.11812	2.8
143.08447	4.3
145.10114	75.3
145.11224	5.6
147.11702	3.8
148.16362	3.3
159.11674	30.6
161.13235	9.8
171.11624	4.4
173.13246	5.8
180.24036	2.9
201.16370	100.0
219.17358	4.5
221.90938	2.9
234.21722	2.9
316.81454	3.5
412.73984	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	456.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57393	11.7
53.24449	9.9
69.07072	12.0
70.60795	21.2
72.14697	10.5
81.07042	22.8
86.06740	11.1
87.79294	11.2
93.07028	24.6
95.08595	27.9
105.07027	35.8
109.10143	23.5
111.00972	12.9
111.90726	11.2
119.08578	37.2
121.10139	11.0
133.10126	14.2
147.11694	97.3
161.13171	12.5
163.90855	13.5
192.76967	11.3
203.17928	100.0
206.71281	11.2
347.04831	12.6
457.23303	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	456.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02676	1.8
55.05511	11.7
57.03424	2.5
57.07074	3.3
58.39713	1.8
67.05498	12.2
69.07065	6.8
69.18115	11.1
71.04967	1.6
71.08610	2.4
73.06522	1.8
79.05486	5.8
81.07047	19.4
83.04974	5.5
83.08617	2.7
85.10139	2.9
89.06012	4.5
90.06364	1.8
91.05472	12.1
92.52526	1.9
93.07049	12.6
95.08597	31.9
98.22677	3.2
101.06010	14.4
105.06348	3.6
105.07021	52.2
107.08592	16.4
108.34994	1.9
109.10151	19.1
119.07061	6.1
119.08566	42.1
120.96619	4.3
121.10146	15.0
123.11699	6.3
131.08624	3.4
133.08611	2.9
133.10110	30.6
133.11095	1.3
135.11659	3.0
145.10089	1.8
146.67552	1.7
147.11671	85.1
148.12000	2.5
160.12495	2.4
161.13257	12.7
163.14771	2.3
167.88731	2.1
175.14742	2.7
203.17935	100.0
204.18201	3.2
331.14627	2.2
337.27405	6.7
457.23120	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	456.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36002	1.8
55.05507	10.4
59.04998	2.6
64.40538	1.9
67.05493	7.8
68.43130	1.8
69.07066	5.8
69.38825	10.2
74.73914	1.9
77.45798	1.9
77.79173	2.0
79.05490	5.6
81.07056	15.4
83.04991	5.2
91.05465	11.5
93.07042	8.5
95.08598	29.3
99.32856	2.1
101.05988	18.0
105.07013	55.0
107.08579	17.3
109.10143	19.7
119.07095	2.7
119.08563	39.6
121.10114	11.4
123.11694	6.0
131.57042	2.0
133.10104	27.1
135.11684	2.3
147.11668	88.9
148.11974	3.4
151.11153	3.0
161.13272	12.1
163.14906	3.9
166.97263	1.9
175.14809	3.3
191.29254	1.8
203.17928	100.0
204.18306	4.9
243.26108	2.0
254.47098	2.1
254.76576	2.2
345.83948	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74165	0.8
52.04928	0.7
55.05501	3.0
57.07072	23.7
58.06584	2.4
65.08469	0.8
66.13486	0.6
67.05499	3.5
69.07050	3.6
69.19527	4.6
70.06586	22.6
71.08625	15.2
73.02906	2.7
79.05509	0.9
81.07056	3.3
83.08614	3.4
85.10175	4.6
85.72501	0.7
88.07621	31.2
89.19987	0.7
93.81414	0.7
95.08588	5.5
97.06554	0.7
97.10141	1.8
102.09165	20.2
106.08663	1.1
109.10126	2.0
112.93316	0.7
135.59445	0.7
156.17496	1.0
200.20074	73.5
201.20418	1.8
218.21118	7.6
227.20140	1.3
228.23308	1.0
283.26279	77.2
284.26642	2.8
456.44067	100.0
457.44296	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	457.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28361	0.5
51.65796	0.5
70.06566	1.5
71.43195	0.7
73.38049	0.5
83.38229	0.6
104.10703	0.9
245.06111	1.9
289.05246	21.5
294.06110	0.5
307.02734	0.5
355.92947	0.6
413.17206	2.5
439.09656	0.8
457.12750	100.0
458.12961	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	457.1316
Annotation	Neurodazine
Peak:m/z	Relative Intensity
56.47231	0.4
56.96553	1.1
61.73802	0.4
69.03423	0.6
70.15966	1.0
70.16296	0.5
78.23821	0.4
86.71800	0.5
89.06008	1.7
91.05473	1.0
97.17580	0.4
100.29354	0.5
101.12260	0.4
109.69828	0.4
120.35631	0.5
127.03909	1.1
135.85495	0.4
137.05942	1.2
139.03882	0.5
143.09833	0.6
147.04385	0.9
151.07571	1.1
162.06720	0.4
163.03871	1.2
177.05449	0.8
280.43793	0.5
318.98843	0.6
327.85403	0.5
389.04904	0.6
397.02222	1.1
433.04425	0.6
457.13107	100.0
458.13409	5.1
468.11221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	1.0
81.69310	0.9
82.15324	0.8
84.72663	0.8
84.78365	0.7
95.53194	0.7
96.66181	0.7
114.98308	0.8
289.05066	3.8
413.17261	3.6
457.12671	100.0
458.12967	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	457.147
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
61.49362	2.5
63.54363	2.5
74.96127	2.8
79.06490	2.7
89.78448	2.9
98.97586	6.5
104.38041	2.7
108.23909	3.0
116.98627	3.7
140.16231	2.9
237.02946	3.8
278.09973	3.7
314.18918	3.8
336.70908	3.2
345.01654	2.8
353.74237	2.8
371.13809	4.8
389.14716	3.1
413.15668	9.3
457.08508	6.5
457.14554	100.0
457.19485	6.0
458.15344	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	457.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.2
55.01863	0.3
63.02361	1.0
64.16193	0.2
67.05505	0.4
67.42263	0.2
68.78358	0.2
69.03403	0.5
69.07076	0.2
71.04963	0.3
71.43692	0.3
79.05495	2.1
81.07011	0.4
81.22364	0.3
84.65343	0.2
85.02882	0.6
89.03912	13.4
90.04200	0.4
91.05443	0.7
93.07027	0.5
95.04948	0.7
95.08592	0.3
97.06503	0.7
105.04495	0.4
105.07013	0.5
106.19790	0.2
107.04950	3.6
107.08559	0.2
109.10165	0.3
111.04438	0.3
115.05418	0.4
117.03371	12.2
117.07001	0.4
118.03648	0.3
119.08602	0.3
121.10161	0.3
123.04371	0.3
127.03864	0.3
129.07072	0.3
131.04982	0.3
131.08542	0.4
132.31583	0.2
133.06473	0.6
133.10127	0.5
135.04407	24.7
136.04738	0.7
139.03900	0.3
143.08586	0.5
145.02837	14.7
146.03203	0.4
147.04356	0.4
155.64012	0.2
157.10097	0.5
161.06000	0.5
163.03889	100.0
164.04257	2.6
165.05507	0.4
165.09074	0.3
173.05980	1.0
174.88759	0.2
179.03523	0.3
186.05507	0.4
189.05481	0.4
191.07005	0.4
191.14211	0.4
203.10596	0.9
213.09047	0.4
215.07040	0.3
231.10132	2.0
233.07994	0.3
241.08575	0.3
249.11131	1.2
277.10550	0.5
290.88385	0.2
402.24231	0.3
413.11542	0.2
420.71844	0.3
457.10693	0.7
457.20404	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	457.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
61.02920	0.4
63.02378	1.0
65.03934	5.9
67.05499	0.5
68.99783	1.1
69.94291	0.2
69.94613	0.5
77.03925	0.5
78.04740	0.2
78.57142	0.3
79.05482	3.2
81.03407	0.2
85.02895	1.2
85.93745	0.2
87.00829	0.5
87.65130	0.3
89.03906	14.1
91.05470	43.9
92.05800	0.9
93.03391	4.5
93.03944	0.4
93.07030	0.3
95.04955	1.3
97.02891	1.8
97.06511	0.3
98.22813	0.3
103.03964	0.3
103.05460	0.8
105.03410	0.5
105.04482	0.3
105.07018	5.9
106.07310	0.2
107.01311	0.3
107.04940	3.9
107.08564	0.2
109.02878	0.5
111.04461	0.6
112.66717	0.2
115.05439	1.6
117.03364	13.9
117.07001	0.5
118.03706	0.3
119.04909	1.4
119.08566	0.4
121.54234	0.2
123.04413	1.5
128.06218	1.6
129.01830	0.6
129.06989	2.0
131.04915	0.7
131.08536	0.4
133.02786	0.2
133.06456	1.2
135.04399	26.5
136.04774	0.7
137.06006	0.2
139.02951	0.2
139.03862	1.0
141.06993	1.1
142.07790	0.6
143.04913	1.4
143.08528	0.6
145.02834	15.3
145.03893	0.7
145.06491	0.8
147.04398	1.0
149.02347	0.6
152.06213	0.7
152.84450	0.2
153.07065	0.3
155.04912	1.0
155.06018	0.4
157.06479	0.5
157.10097	1.9
159.04420	0.6
160.05182	0.4
161.02278	0.5
161.05896	1.5
163.03880	100.0
164.04219	2.4
165.05583	0.4
165.07001	0.6
166.07851	0.2
167.03397	0.8
167.08545	1.9
168.05647	0.3
169.06462	0.4
169.10146	0.4
171.04433	0.5
171.08047	0.7
173.02356	0.7
173.06000	0.8
175.03908	0.9
176.04663	0.3
178.07758	2.0
179.03415	1.9
179.08458	0.4
181.04932	1.4
181.06419	0.4
183.08012	0.4
184.05148	1.5
185.05963	0.9
185.09579	1.9
186.03117	0.8
187.03850	1.5
187.07489	0.6
188.04677	0.4
189.05444	0.8
189.09184	0.5
191.03383	2.3
191.08481	0.3
193.04977	0.3
193.10175	0.5
194.07236	0.4
195.08026	4.5
197.04417	1.3
197.05984	0.2
197.09604	0.8
199.03819	0.5
199.07510	0.3
201.05493	1.4
201.09096	1.3
202.07758	0.3
203.03374	0.9
203.08679	0.4
203.10565	0.4
204.04172	0.8
205.04942	1.3
211.03947	0.3
211.07507	0.4
213.05725	0.3
213.09082	6.6
214.09561	0.3
215.03397	2.5
215.08669	0.2
215.10529	0.5
217.05023	0.6
217.08591	0.9
219.06505	0.6
221.09599	2.0
227.03395	0.4
229.04942	1.1
229.08482	0.5
231.10159	1.5
233.04408	4.8
233.09508	0.5
235.07477	0.5
236.08376	0.4
239.06992	3.2
239.10519	0.3
241.08623	2.6
244.03694	0.8
245.04378	2.0
247.05812	0.3
249.09111	0.4
251.06982	0.7
253.08441	0.3
257.04446	4.2
257.08063	3.1
259.09634	2.2
262.04739	0.4
263.05249	0.4
265.08566	0.8
267.06555	0.4
269.08124	0.6
275.05447	2.3
277.10696	1.2
279.10107	2.1
280.10294	0.2
281.08102	0.9
289.08578	0.9
293.08035	6.4
294.08554	0.4
307.09610	1.5
309.07605	0.3
311.09164	1.1
317.08041	3.8
318.08444	0.3
323.09177	1.3
335.09091	28.3
336.09424	1.7
353.10162	6.9
354.10574	0.5
361.05505	0.5
371.11200	0.5
403.07828	0.2
421.09052	1.1
439.10147	2.4
457.10858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15878	0.5
56.11971	0.6
67.35152	0.8
69.03423	1.0
69.27956	2.4
69.28358	1.0
70.06577	1.2
81.03382	0.8
85.02888	1.8
92.37858	0.6
95.04939	1.6
97.02882	0.7
107.08569	1.0
109.06519	1.1
117.03396	1.1
121.10139	1.3
127.03859	1.3
133.10089	1.1
145.02823	1.5
149.09592	1.6
163.03835	0.8
173.13144	1.3
177.05492	3.4
191.14328	2.6
194.41890	0.6
209.11443	3.9
209.15318	4.2
237.10962	1.2
339.20193	0.7
364.63971	0.8
371.16785	12.2
395.16544	2.1
399.16098	0.7
413.17770	46.9
414.17941	2.2
439.15689	1.6
443.32431	0.7
457.16687	100.0
458.17096	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	457.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85987	1.4
69.16665	9.6
70.06600	5.4
70.09598	1.5
72.92261	1.5
73.11100	1.4
79.70203	1.8
81.03434	1.8
86.09705	1.4
91.05488	1.4
95.08619	2.7
104.10777	1.8
146.26111	1.8
153.99646	1.6
176.04526	1.5
181.09885	1.5
191.10457	1.5
203.05289	3.1
203.44969	1.6
209.07585	2.1
209.11574	2.5
245.06326	10.3
259.13052	2.2
289.05276	100.0
290.05667	2.3
306.61014	1.6
325.90488	1.4
371.16922	2.7
413.17697	13.3
457.17004	98.8
458.17496	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	457.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	2.3
68.04978	0.9
73.66736	0.8
74.98534	0.7
83.01317	1.1
84.04498	78.5
85.02911	4.2
85.04838	1.2
85.07672	0.6
94.88176	0.7
101.07139	6.4
102.05531	4.0
114.05529	2.5
115.92862	0.9
122.75300	0.9
129.06937	0.9
130.04993	100.0
131.05325	1.4
138.05504	1.5
142.04993	0.9
142.07805	0.9
143.04860	1.7
144.39409	0.8
147.07631	58.1
148.08096	1.0
157.06500	2.3
159.07703	1.9
163.60748	0.7
165.06990	1.0
167.08568	1.8
169.06471	0.9
171.04443	1.2
179.08598	1.5
181.10083	1.5
183.08093	1.1
184.06055	1.0
185.05954	1.5
185.09586	13.9
185.11095	1.1
187.11195	1.0
195.08032	2.6
195.11659	1.2
197.06015	2.2
199.07503	2.1
208.08801	1.1
209.13229	1.2
211.07579	2.8
212.08412	1.0
213.05428	1.5
213.12677	1.6
219.11572	1.1
222.10423	1.0
223.07593	4.2
223.11166	1.4
224.08340	1.1
225.09071	6.2
226.09828	2.5
227.07018	1.9
232.01666	0.8
235.07518	1.0
236.08301	1.3
237.12823	3.8
239.06943	1.5
239.10712	1.1
240.07672	2.1
240.11414	8.7
241.12227	6.2
250.09929	1.9
251.06949	1.5
253.08403	1.1
254.09419	1.1
255.13788	18.2
257.11710	2.2
263.06799	1.0
265.12201	12.0
267.10132	1.8
267.13776	3.4
268.07275	0.8
268.10721	3.7
269.11700	11.5
273.05383	1.3
283.13254	88.6
284.13443	4.0
293.11676	3.6
309.09082	1.4
310.14230	1.5
311.12769	26.3
312.13254	1.6
328.15414	8.3
337.08490	2.0
348.16132	1.2
352.15430	5.1
353.13800	1.4
355.09506	1.3
365.08081	1.9
376.15189	1.7
380.14899	1.3
383.09152	2.2
394.16455	10.3
411.08618	5.3
415.07867	0.9
422.15933	8.7
423.16193	1.0
429.09589	3.2
439.08011	1.0
439.18494	1.3
440.16974	27.9
441.17349	2.8
457.09659	4.4
457.19626	27.4
458.20358	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2043
Annotation	Tyr Gln Phe
Peak:m/z	Relative Intensity
55.93603	0.4
56.96573	0.4
62.34090	0.4
69.22166	2.3
70.06592	0.5
85.02906	0.4
87.52335	0.4
98.97639	0.5
104.05459	0.4
147.04494	0.5
163.03960	1.2
203.05328	0.5
208.70602	0.4
277.14124	1.3
279.15726	4.7
289.05316	3.1
295.15045	2.2
457.20526	100.0
458.20779	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01854	1.0
55.05510	0.7
57.03426	0.8
61.02913	1.1
65.03951	0.4
65.16541	0.3
67.05479	2.3
68.99770	0.5
69.03428	5.9
69.07063	0.8
69.09613	0.8
69.10038	1.5
70.06594	0.4
71.04985	1.3
73.02907	0.9
79.05470	1.2
81.03408	5.3
81.07045	1.2
83.04965	0.7
85.02898	11.3
85.03417	0.7
85.06537	1.4
87.00822	5.1
91.05471	3.5
93.07047	2.4
95.04967	0.7
95.08602	16.8
96.08929	0.5
97.02886	5.2
97.06525	4.5
99.04463	1.9
99.08061	0.6
105.01864	4.4
105.07025	7.6
107.08589	3.6
109.02869	4.6
109.10133	1.5
112.12574	0.4
115.05424	0.5
116.01686	0.6
117.01855	0.7
117.06972	0.8
118.07784	0.6
119.08588	2.8
121.06511	0.3
121.10136	4.1
123.08063	1.0
123.11729	0.7
125.09644	0.5
127.03896	6.9
129.01782	0.4
129.06961	0.9
131.08571	4.6
133.10117	100.0
134.10434	3.3
135.08046	1.3
135.11679	1.3
140.12927	0.3
143.08577	2.2
144.09332	0.6
145.04974	3.2
145.10118	2.8
147.02838	0.5
147.11696	1.2
149.09599	1.2
149.13257	1.5
151.11148	3.0
157.10208	0.4
158.10881	4.0
159.02901	2.8
163.03941	0.9
163.14825	3.5
173.13246	24.1
174.13628	0.8
181.04938	1.3
191.14287	17.2
192.14651	0.4
199.11067	0.4
209.15372	5.0
213.03824	0.3
231.04955	1.5
241.12248	0.3
360.16571	0.4
457.15408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	4.4
55.05516	3.8
67.45737	2.3
69.03433	16.0
69.24249	14.0
71.04984	3.7
79.05492	6.0
81.03410	11.5
81.07043	11.0
85.02889	18.5
87.00831	5.4
89.03891	7.0
91.05479	8.8
93.07040	6.4
95.04959	4.5
95.08580	3.0
95.32233	2.4
97.02885	3.2
105.01862	4.0
105.07051	12.4
107.04936	6.6
107.08591	20.8
109.02885	5.9
109.06508	9.7
109.10131	8.0
117.03353	8.6
117.07011	6.1
119.08593	5.1
121.10123	15.9
122.07278	5.3
123.08006	3.6
123.11674	3.7
127.03893	10.7
128.06221	3.7
130.69594	2.3
133.10120	100.0
135.04410	21.4
135.08025	8.0
135.11667	2.5
137.09610	58.5
137.10643	3.3
140.03638	2.4
145.02861	11.8
145.04892	3.6
145.06458	8.1
147.04434	3.0
149.09604	5.7
149.13219	13.1
151.11165	31.2
155.04866	6.7
159.02834	3.6
161.05939	5.9
163.03885	61.8
165.12756	30.5
173.05977	16.4
173.13255	4.4
173.85078	2.3
183.04385	8.2
187.03902	5.7
187.07344	3.0
189.05377	4.4
191.14310	50.2
200.07159	3.4
201.05479	15.1
203.07039	2.3
207.06494	6.5
207.47574	2.4
209.15356	78.0
210.15613	3.1
211.03914	5.4
215.07027	3.0
228.06595	2.8
229.04964	10.5
233.08070	5.0
243.06296	3.5
246.07492	3.7
249.07501	2.7
261.07495	8.0
278.10202	42.7
296.11273	41.7
367.81381	2.5
457.09079	3.6
458.14392	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.05494	5.9
56.05022	4.9
67.05493	10.0
69.03423	9.1
69.07079	7.5
69.84132	10.9
71.04966	7.0
79.05501	7.4
81.03426	12.4
81.07027	12.4
83.04994	8.6
85.02905	27.9
87.00832	7.5
89.03912	14.6
91.05492	14.3
93.07050	11.9
95.04963	9.6
95.08619	12.1
97.02869	12.6
97.06538	6.5
98.22540	5.9
99.04453	8.0
105.01881	7.8
105.07024	15.7
107.04928	9.8
107.08624	25.4
109.06517	100.0
109.10116	24.8
117.03365	9.6
117.07014	10.5
119.08543	6.1
121.10149	19.9
123.08097	10.2
123.11658	6.2
125.09549	6.3
127.03897	26.2
129.07027	5.1
131.08598	12.9
133.10123	24.7
134.95728	5.8
135.04425	18.5
135.08043	48.9
135.91682	5.7
137.09639	8.3
145.02881	15.4
145.06503	13.4
147.04443	5.9
147.11713	8.5
149.09621	10.6
149.13243	8.6
151.11172	35.9
155.04912	9.7
159.02864	6.5
161.05914	9.0
163.03896	90.8
163.14865	6.8
173.05971	18.7
173.13280	22.2
176.24344	5.2
183.04509	6.3
191.14281	97.8
200.07101	5.8
201.05443	29.4
201.53128	5.3
207.06511	9.1
208.09692	6.2
209.15326	60.9
210.15678	6.1
211.03984	7.4
229.04906	13.8
231.06714	5.8
233.08095	5.9
261.07697	12.6
278.10199	55.9
286.06979	5.1
293.49133	5.6
296.11316	62.4
433.71246	4.5
438.67438	6.3
457.14114	10.7
458.14362	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	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87155	2.6
69.03416	7.2
70.06589	6.3
70.93151	3.7
79.05466	4.2
81.03411	3.2
81.07035	7.3
83.08616	3.3
85.02937	3.0
86.09692	7.2
91.05448	4.1
93.07002	2.9
97.02879	3.4
105.07060	5.3
107.04980	6.6
107.08599	17.8
109.02869	3.2
109.06470	2.5
109.10151	7.1
119.08564	3.8
121.10126	7.5
127.03882	3.3
131.08611	3.1
133.10123	100.0
134.10460	3.9
135.04375	3.8
135.08034	9.2
137.09590	46.0
138.09946	2.8
145.06511	4.2
149.13255	7.6
163.03900	16.7
173.05956	6.3
173.13203	4.1
191.14282	45.1
229.05138	3.0
231.75215	2.7
232.07048	24.0
233.01172	2.2
233.07730	3.0
259.82544	2.9
278.10229	7.2
296.11313	11.3
311.44595	2.4
322.81409	3.0
325.74142	3.0
354.11597	3.3
457.14493	38.6
457.23932	3.8
458.14255	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	11.6
68.75996	4.8
69.12410	33.3
71.04987	14.0
73.02877	6.4
73.87173	5.0
78.35585	4.4
79.05483	7.5
79.55975	4.9
81.03414	12.8
85.02895	12.5
86.09666	9.1
95.04942	5.9
96.99164	4.8
97.02936	8.9
105.07008	15.6
107.04948	9.4
107.08504	6.1
109.02828	5.8
109.06500	17.4
109.10148	82.0
119.08544	6.9
121.10191	8.3
122.92906	4.9
127.03927	16.6
131.08594	27.0
133.10126	17.1
135.04408	8.5
145.02792	11.0
145.10139	6.6
147.11746	7.6
163.03880	53.2
164.04219	23.8
173.13228	28.7
191.14296	100.0
209.15269	26.9
229.05167	8.5
235.07082	11.0
236.07420	8.6
277.08218	10.4
278.08334	5.5
294.10794	19.4
295.11172	23.0
296.11295	12.5
360.29361	5.9
426.34058	5.2
440.10907	5.2
457.14072	9.2
457.30954	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73796	1.3
53.31891	1.4
54.87779	1.2
55.05513	2.4
60.44810	1.2
67.05503	8.8
69.03424	3.6
69.07077	2.4
69.29066	7.8
71.04996	5.1
79.05495	5.1
81.03419	5.2
81.07050	10.5
83.08611	2.0
85.02898	9.0
85.06542	1.5
87.00830	4.5
89.03941	1.2
91.05470	5.8
93.07042	14.3
93.65814	1.4
95.04966	10.9
95.08585	8.4
97.02903	3.7
97.06518	2.5
97.10189	2.0
99.04472	1.9
105.01870	2.6
105.07013	18.7
107.08577	13.9
109.02921	1.8
109.06512	12.1
109.10158	16.1
111.08106	1.8
117.03355	1.5
117.07028	1.9
119.08580	9.9
121.10121	12.0
123.08041	2.7
123.11724	3.8
127.03919	4.6
131.08568	13.1
132.04446	2.2
133.10121	16.2
135.04417	3.3
135.08064	6.2
137.09601	1.7
145.02792	3.3
145.05019	1.6
145.10167	3.8
147.11673	9.9
149.09624	7.6
149.13260	10.0
151.11160	23.8
161.13214	16.0
163.03900	21.9
163.14828	4.7
165.09138	2.3
171.05573	2.9
173.13271	13.3
173.23024	1.2
179.14284	12.6
189.06638	6.0
191.14299	49.7
209.15350	100.0
210.15610	3.4
217.06163	3.5
231.07616	4.4
235.07124	3.7
277.08145	2.0
295.09299	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44914	0.3
58.48090	0.4
59.04834	1.5
60.05639	4.7
65.03924	0.6
69.03397	1.0
70.06583	5.9
70.86319	0.4
70.86648	0.5
73.06393	0.6
81.03425	2.0
84.05605	0.5
85.02876	0.9
86.07150	1.2
86.09676	0.6
87.05567	1.4
91.05472	7.0
96.87737	0.4
98.97565	1.1
102.06627	0.8
103.07431	0.8
105.06988	0.5
109.02850	0.9
113.02106	0.5
113.63066	0.4
119.04935	17.1
124.39424	0.4
127.03889	0.8
135.04424	0.5
145.02872	0.6
147.04396	76.4
148.04755	2.8
149.06694	8.3
163.03902	2.2
165.05524	1.7
185.04155	0.6
191.14194	0.5
201.03746	0.7
203.05272	5.1
219.01680	0.7
227.09520	0.7
237.02655	0.8
241.73077	0.4
245.06407	0.6
256.16196	0.4
277.04843	0.4
277.17816	4.2
278.18524	0.3
279.19247	3.4
289.05453	1.1
291.08597	2.8
295.15628	0.6
295.18781	0.9
309.09750	1.6
341.18176	0.4
345.15494	0.4
371.13885	1.4
371.17551	0.7
387.19919	1.9
394.79868	0.4
413.14261	0.7
413.18274	1.1
439.23364	1.8
440.16058	0.4
457.24274	100.0
458.24707	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	457.2404
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
70.06563	0.3
71.04960	0.3
71.12358	0.3
81.03390	0.4
81.07044	0.5
84.66366	0.3
95.01069	0.3
98.22563	0.5
107.08581	0.4
109.06530	0.7
113.02096	0.5
133.10083	0.3
135.08018	0.3
140.61288	0.3
145.08731	0.3
146.44640	0.4
147.04402	0.8
147.11670	0.9
149.09656	0.4
185.04279	0.6
191.14279	2.7
201.03709	0.9
203.05237	4.7
207.13626	0.4
209.15369	3.3
277.17700	4.6
289.05399	0.4
295.18781	1.2
369.18924	1.0
371.16803	0.4
387.19766	2.5
404.96609	0.4
413.17905	0.9
426.88156	0.4
439.23135	2.1
457.24045	100.0
458.24350	6.0
461.10376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
55.05515	0.6
57.07063	0.6
67.05493	2.0
67.51735	0.4
69.07053	0.7
71.08614	1.1
79.05495	1.3
81.07072	2.4
85.06531	0.7
85.10177	0.6
89.06042	1.7
91.05466	3.6
93.07041	3.7
95.08577	2.2
97.90941	0.4
105.07014	5.1
106.16125	0.4
107.08607	2.8
109.06459	0.4
109.10135	0.8
117.07002	3.0
119.08571	6.4
121.06493	1.4
121.10113	1.8
123.04143	3.8
129.07016	0.7
131.08521	4.0
133.08601	1.4
133.10077	2.2
135.11659	0.8
142.07741	1.3
143.08591	0.8
144.09315	2.6
144.32025	0.5
145.10039	0.9
147.11661	1.2
149.13261	0.7
157.10109	2.0
159.11678	20.3
160.12016	0.9
165.09161	1.2
177.12642	0.8
192.36853	0.5
211.86914	0.4
217.16060	0.7
223.09387	92.9
224.09726	3.0
239.36577	0.4
257.15091	100.0
258.15442	4.9
264.12073	1.6
298.17743	1.1
315.18060	1.7
457.25555	9.5
457.31509	0.5
458.25537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	0.4
79.05460	0.5
81.07021	0.7
88.56243	0.3
91.05460	0.9
93.07014	0.8
95.08629	0.5
97.38375	0.4
105.07013	2.0
107.08633	0.8
110.89744	0.4
119.08594	2.4
122.43670	0.4
123.04179	3.0
128.06248	0.4
131.08533	0.6
133.10132	0.5
143.08488	0.6
151.33797	0.3
157.10110	0.4
159.11755	1.0
171.11761	0.5
223.09387	100.0
224.09743	2.7
241.10370	0.5
257.14856	0.5
264.12042	1.0
335.27319	0.3
354.94217	0.4
382.38025	0.4
457.25150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03424	1.6
55.98162	1.6
69.98328	3.8
69.98688	2.4
81.26034	1.9
95.08588	4.0
149.13246	2.0
173.13379	2.0
187.03635	9.5
293.20758	24.3
294.21213	2.6
457.25549	100.0
458.26016	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	457.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40631	0.7
55.05256	1.3
55.05509	17.7
57.03421	2.5
57.07068	2.1
59.04984	3.1
64.71375	0.7
67.05510	5.0
69.07064	9.6
71.04976	2.8
71.05354	0.6
73.06541	3.1
79.05485	2.8
81.07052	36.5
83.04976	28.8
83.08624	3.5
85.06522	1.3
91.05476	2.4
93.07050	3.4
95.08601	20.8
97.06528	1.7
97.10157	3.6
99.08078	3.9
101.06011	18.2
105.07025	5.7
107.08615	5.6
109.06495	3.0
109.10146	10.2
111.11672	1.7
119.07053	1.7
119.08554	4.6
121.10144	4.0
123.08038	1.4
123.11689	7.2
133.10120	3.6
135.11676	4.4
137.13231	10.3
139.11165	1.5
147.11696	6.8
149.13261	1.4
151.11166	1.7
153.12724	2.1
157.12224	0.9
161.13242	1.8
163.14867	1.8
165.07314	0.9
165.12738	5.2
183.10156	5.4
193.19534	3.6
201.11212	4.4
203.17876	7.5
221.18983	100.0
222.19284	5.2
223.09381	1.3
239.20056	23.3
257.20969	1.7
271.47327	0.8
302.74738	0.7
321.24179	9.5
322.24567	0.9
327.82642	0.7
339.25311	10.6
340.25357	0.7
357.26193	1.4
419.59305	0.8
457.25394	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	457.3306
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
55.05499	2.1
57.07069	0.7
57.91538	0.6
67.05505	3.6
67.16990	0.6
69.07069	1.6
69.65688	0.7
75.90247	0.7
79.05486	3.7
81.07046	4.7
83.04929	1.3
83.08594	1.0
91.05489	3.6
93.07050	6.3
95.04948	1.5
95.08600	9.5
97.06522	1.0
104.17143	0.6
105.07022	8.2
107.04906	0.9
107.08587	8.6
109.06509	1.3
109.10146	4.3
111.08075	0.9
117.07001	1.4
119.08585	11.9
121.06460	1.9
121.10145	6.0
123.08057	1.0
123.11724	1.2
125.09609	1.2
129.06966	0.9
131.08539	4.7
133.06482	3.3
133.10129	8.2
135.08041	55.2
135.11659	1.8
136.28059	0.7
137.09592	1.0
142.07774	1.1
143.08533	3.5
145.10110	6.4
147.08037	4.8
147.11597	3.7
149.09599	5.9
149.13208	1.0
151.07428	0.7
151.11185	1.1
156.09340	0.9
157.10091	4.1
159.08054	0.9
159.11667	5.3
161.09616	7.6
161.13269	3.0
163.11136	1.4
165.09152	1.1
165.12874	0.6
169.10139	1.4
170.10864	0.9
171.08157	0.9
171.11681	2.6
173.09615	1.8
173.13213	3.1
175.11166	6.1
175.14812	2.8
177.12624	0.6
181.09932	0.7
183.11676	1.9
185.13200	3.2
186.10257	0.7
187.11142	0.9
187.14879	2.0
189.12740	1.7
189.16360	1.5
191.14226	0.7
197.13231	1.1
199.14848	2.2
201.12750	2.8
201.16402	1.3
203.14310	17.3
203.17973	1.0
204.14645	0.7
205.15842	1.5
211.14796	0.7
213.16370	2.3
215.14281	1.5
215.17886	1.4
217.15884	6.1
219.13782	2.9
225.16159	0.7
227.14253	0.9
231.17393	2.5
243.17355	1.1
257.19064	0.7
269.18951	1.2
311.23337	0.9
333.22015	0.8
403.29562	1.4
421.30844	4.1
439.31906	5.1
440.32324	1.2
457.33078	100.0
458.33487	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	457.3309
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
52.34566	0.3
53.03946	0.4
55.05498	0.9
57.03424	0.4
57.07084	0.4
59.04998	0.3
65.03932	0.4
67.05492	2.6
67.17551	0.3
69.03417	0.4
69.07057	1.5
71.04984	0.3
79.05484	2.6
81.03418	0.3
81.07053	3.8
83.04975	0.8
83.08613	0.6
91.05473	3.4
93.07041	4.5
93.54867	0.3
95.04963	0.8
95.08601	6.4
97.02859	0.4
97.06500	0.4
105.07019	8.0
106.07439	0.4
107.04955	0.7
107.08587	6.8
109.06515	1.2
109.10145	3.2
110.13758	0.3
111.08058	0.6
115.05487	0.3
117.07005	1.5
119.06048	0.4
119.08582	8.0
120.08927	0.3
121.06487	1.8
121.10133	4.4
123.08064	0.9
123.11691	0.9
129.07008	1.1
131.08575	3.4
133.06480	6.4
133.10124	4.9
135.08043	24.4
135.11639	1.7
136.08429	0.6
136.98811	0.3
137.09634	0.6
141.07027	0.4
142.07806	0.8
143.08549	1.9
144.09309	0.5
145.06485	0.6
145.10114	5.3
146.07224	0.3
147.08040	4.1
147.11688	3.5
149.09610	4.0
149.13243	0.7
151.11142	0.7
155.08533	0.5
156.09346	0.7
157.10123	2.8
159.08086	1.2
159.11685	3.8
160.08827	0.3
161.09608	7.1
161.13254	1.9
163.03897	0.7
163.11150	0.5
163.14833	0.9
165.12924	0.3
169.10141	1.0
170.10904	0.7
171.11691	2.2
173.09633	1.2
173.13240	2.8
174.13667	0.3
175.11179	7.5
175.14839	1.4
176.11548	0.4
177.12779	0.8
181.10197	0.3
183.11703	1.5
185.09576	0.6
185.13226	1.5
187.11166	0.8
187.14835	1.4
188.11847	0.3
189.12741	2.8
189.16364	1.8
191.14308	0.6
197.09677	0.3
197.13280	0.7
199.11203	0.9
199.14848	1.2
201.12721	1.6
201.16435	1.0
203.14308	13.0
203.17567	0.5
204.14700	0.6
205.15849	0.6
209.13239	0.4
211.14845	0.5
213.12833	0.5
213.16328	1.0
215.14366	0.9
215.17934	0.6
217.15858	7.5
217.17760	0.5
218.16212	0.4
227.17990	0.6
231.17506	0.5
239.17830	0.4
241.15898	0.4
243.17482	0.7
244.18248	0.4
255.17508	0.5
257.18936	0.8
269.19110	0.5
297.22287	0.3
403.30063	0.6
414.27475	0.8
421.30981	1.0
439.32248	1.2
442.30997	0.3
457.33084	100.0
458.33401	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	457.3312
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
51.93466	0.8
55.05512	1.6
67.05500	3.1
68.57809	1.0
69.07054	2.9
69.43713	2.8
79.05476	2.9
81.07048	4.3
81.75175	1.1
83.04965	1.4
83.08606	1.3
91.05476	3.6
93.07038	4.7
95.04972	1.1
95.08604	8.8
105.07032	9.5
107.08604	6.6
108.76725	0.9
109.06470	1.4
109.10155	3.6
117.06998	1.2
119.08559	10.9
121.06515	2.3
121.10123	5.1
123.08072	1.6
131.08553	4.9
133.06480	3.7
133.10091	7.4
135.08047	33.3
135.11618	2.5
137.09625	1.9
137.98662	1.0
143.08592	3.8
145.10133	7.0
147.08049	4.7
147.11697	5.6
149.09605	5.6
151.11249	1.0
157.10124	7.0
159.08067	1.5
159.11707	5.5
161.09581	6.0
161.13232	2.5
163.03951	1.0
163.11047	1.1
169.10059	1.6
170.10844	1.2
171.08086	1.3
171.11691	2.8
172.08803	1.0
173.09663	1.8
173.13251	4.1
175.11151	7.1
175.14822	2.0
177.12709	1.6
183.11681	3.3
185.13275	3.0
187.14824	3.8
189.12730	3.1
189.16327	1.7
197.13235	1.9
199.14836	2.5
201.12685	1.9
201.16312	1.8
203.14287	11.0
211.14851	1.6
213.16451	2.7
215.14326	1.1
217.15839	6.1
225.16499	1.6
227.18137	1.2
231.17455	2.1
242.80058	0.9
249.16556	1.0
253.19527	2.5
269.19128	1.6
391.29993	1.6
403.29922	2.4
421.30899	4.6
439.32022	3.9
448.85806	1.1
457.33084	100.0
458.33548	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	457.3306
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
55.05507	1.5
57.07047	0.5
60.75867	0.4
65.03934	0.4
67.05507	2.3
69.03447	0.5
69.07053	1.4
69.25780	2.3
79.05493	2.4
79.24731	0.4
80.34366	0.4
81.07040	4.1
83.04955	0.9
83.08610	1.1
88.27351	0.4
91.05464	3.5
93.07037	4.6
95.04959	1.2
95.08594	6.9
97.57730	0.4
99.08097	0.5
105.04547	0.4
105.07020	7.8
105.07716	0.5
107.04949	1.1
107.08588	6.4
109.06510	1.1
109.10116	2.9
111.08110	0.5
117.06992	1.5
119.08565	8.4
121.06496	1.6
121.10143	3.3
123.08028	0.7
123.11652	0.7
125.09630	0.5
128.06206	0.5
129.07028	0.9
131.08553	3.6
133.06483	5.5
133.10120	4.7
135.08038	32.3
135.11678	1.5
136.08409	0.6
137.09570	0.7
142.07817	1.0
143.08557	2.3
145.10095	4.6
147.08044	4.6
147.11673	3.5
149.09633	3.9
149.13261	0.5
151.11153	0.7
155.08572	0.7
156.09381	0.8
157.10110	2.9
159.08104	1.0
159.11668	3.3
161.09599	6.3
161.13249	1.6
163.11156	1.1
163.14848	0.4
165.09183	0.4
169.10126	1.2
171.07947	0.4
171.11713	1.7
173.09604	1.3
173.13225	2.2
175.11186	7.4
175.14807	1.7
177.12787	0.8
182.35126	0.4
183.11693	1.3
185.09477	0.4
185.10925	0.4
185.13208	1.9
187.11168	1.1
187.14806	1.6
189.12735	2.4
189.16374	1.2
191.14331	0.6
198.13780	0.4
199.11137	0.4
199.14772	0.8
201.12767	1.7
201.16350	1.0
203.14294	12.1
203.18105	0.5
205.15863	0.7
211.14705	0.4
213.12592	0.4
213.16284	0.7
215.14294	0.9
215.18063	0.4
217.15852	6.5
223.14787	0.4
227.17851	0.5
229.15814	0.4
231.17448	0.5
241.16019	0.6
243.17468	0.7
251.17958	0.5
265.19553	0.5
269.18924	0.5
414.27750	0.7
421.30969	1.2
439.32132	2.2
457.33078	100.0
458.33478	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	457.3314
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
54.60322	0.6
55.05515	1.0
55.37032	0.7
64.22297	0.6
67.05480	2.2
69.07053	1.9
69.18145	1.8
69.18544	2.3
79.05480	2.3
81.07063	2.7
83.08604	1.1
84.62309	0.6
91.05479	2.8
93.07045	4.6
93.16423	0.6
95.08598	5.1
105.07046	6.2
107.08579	7.2
109.06520	1.3
109.10143	4.0
111.08076	0.7
119.08557	8.0
121.06514	1.2
121.10152	3.6
122.80733	0.6
123.08066	1.5
131.08540	3.5
133.06482	4.2
133.10139	5.2
135.08043	24.7
135.09074	1.4
135.11699	1.4
143.08537	1.1
145.10094	5.8
147.08043	4.5
147.11676	3.4
149.09608	3.3
149.13304	0.9
157.10143	2.4
159.08043	0.8
159.11676	3.9
161.09627	8.4
161.13231	2.1
163.11147	1.0
163.73166	0.7
171.11726	1.7
173.13237	1.4
175.11169	7.0
175.14825	1.6
177.12686	0.8
183.11696	1.0
185.13254	1.5
187.14848	0.9
189.12746	3.0
189.16469	1.6
199.14745	0.8
201.12695	1.8
201.16473	0.9
203.14310	12.6
205.15898	0.8
211.14850	0.9
213.16341	1.0
217.15839	7.0
219.13730	1.0
243.17316	0.9
255.17418	0.9
272.30142	0.8
298.92523	0.8
321.22174	0.9
346.63773	0.7
349.30212	0.7
383.75125	0.7
403.30200	0.9
421.30814	2.2
439.32077	1.9
457.33102	100.0
458.33420	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	457.3679
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
57.07068	15.0
59.04983	8.0
64.39394	8.9
67.05489	22.0
69.07052	26.1
69.80307	24.5
70.06549	7.0
71.08631	14.9
79.05489	10.8
81.07056	56.6
88.07613	16.2
91.05461	17.7
91.74131	7.7
93.07031	59.9
95.08605	100.0
98.23402	10.0
105.07013	29.0
107.08589	68.4
109.10165	36.2
119.08553	42.1
121.10123	46.8
123.11704	14.5
133.10112	30.3
135.11691	27.3
145.10086	14.9
147.11674	18.2
149.13228	20.6
161.13252	26.1
163.14787	39.8
175.14812	22.2
187.14761	12.9
189.16415	23.3
191.18025	18.4
203.17984	24.1
227.18045	8.8
227.20097	17.8
256.26450	15.8
315.17825	8.7
402.79587	8.7
411.36221	62.8
439.35730	9.0
450.79150	8.6
457.35056	18.0
457.44257	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	12.9
57.07076	4.8
67.05502	55.2
69.07058	21.9
79.05472	23.7
81.07048	76.6
83.08606	6.4
85.06556	3.2
91.05476	14.5
93.07037	47.6
95.04964	7.5
95.08035	3.9
95.08610	47.5
97.06502	6.0
97.10173	5.0
105.07031	35.0
105.87961	3.8
107.08579	44.6
109.06510	7.8
109.10156	100.0
111.08101	3.9
117.07020	8.1
119.08562	33.0
121.10126	29.6
123.08028	3.4
123.11685	27.2
125.09615	3.6
131.08553	6.3
133.10112	22.7
135.11684	27.7
137.09593	26.1
145.10120	19.4
147.11691	28.1
149.13254	15.6
151.11166	10.7
155.10680	5.1
159.11674	14.5
161.13283	8.4
163.14816	4.3
165.12741	7.2
171.11646	3.8
173.13246	11.4
175.14867	8.0
177.16431	8.6
189.16341	4.2
201.16315	7.7
207.17406	4.5
213.16380	4.5
215.17905	4.6
219.17390	10.1
439.35275	11.0
457.36719	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	458.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.81670	0.7
56.05035	4.2
60.08797	0.6
66.42526	0.7
67.57146	0.6
68.01874	0.7
69.03414	1.6
70.06594	3.4
70.53373	1.7
73.97103	0.7
79.05481	2.2
81.03400	1.0
81.07042	0.7
85.02910	1.6
89.03903	12.2
91.05472	2.3
95.04958	1.9
105.03369	1.4
105.07008	2.0
107.04961	3.4
115.05444	3.5
117.03374	14.7
117.07010	8.0
127.03908	1.0
128.06218	5.3
129.06975	3.2
131.04941	1.1
133.02855	0.9
133.06485	2.2
135.04396	27.4
136.04724	0.8
143.04915	2.2
143.08502	2.3
145.01688	1.1
145.02838	20.2
145.06483	17.7
147.04408	2.3
151.11165	0.9
152.11485	1.1
155.04906	9.6
155.06058	1.9
157.06488	3.1
159.08066	1.3
161.05948	6.4
163.03888	100.0
164.04288	2.1
165.12772	1.7
166.13187	1.0
171.04408	4.7
171.08051	1.6
172.07553	2.4
173.05969	25.5
174.06540	0.9
175.07555	1.0
183.04396	12.9
184.05070	1.4
185.05988	1.2
187.03906	6.0
187.07515	3.0
189.05421	6.8
190.06213	2.0
190.08620	1.4
191.07025	4.4
199.03888	4.7
199.07602	1.0
200.04469	0.7
200.07080	4.5
201.05467	32.1
202.06050	2.3
203.03339	2.0
203.07010	1.0
205.08688	3.3
207.06491	10.2
208.09705	2.9
209.15424	4.5
210.15666	4.6
211.03888	7.6
215.07037	4.3
217.04938	6.1
218.08124	1.3
219.06519	4.1
219.08801	1.6
221.04492	1.9
221.08044	1.3
228.06543	5.7
229.04918	16.4
231.06529	2.4
232.09641	1.0
233.08044	10.4
235.06012	0.9
236.09254	3.1
243.06471	1.5
246.07581	6.9
247.05954	0.9
249.07550	5.7
257.52008	0.8
260.09201	1.2
261.07578	13.1
264.08795	0.8
278.10223	57.2
279.10736	1.9
291.41974	0.8
296.11252	70.8
297.11670	3.2
304.25101	0.7
447.55878	0.7
458.14435	35.3
459.14786	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	458.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55251	0.7
53.03932	1.5
55.05508	5.5
56.96556	1.1
62.02156	0.9
67.05495	2.2
69.03416	2.3
69.07066	6.1
69.20387	5.1
70.06590	1.3
79.05486	2.6
81.03405	1.9
81.07047	5.8
83.08621	2.6
85.02903	3.5
87.00819	3.1
91.05476	13.6
93.07040	4.9
95.08598	8.4
97.02907	2.8
98.22596	1.4
98.64378	0.9
99.04452	0.8
103.05425	1.3
105.01866	1.9
105.07019	18.6
107.08584	16.3
107.16859	0.8
108.00026	1.0
109.02902	1.3
109.06516	1.1
109.10135	1.3
117.07005	6.0
119.08571	100.0
120.08946	2.7
121.10114	4.0
127.03916	3.3
131.08586	1.4
133.10120	19.1
135.04388	1.5
135.11671	1.6
145.02881	1.0
145.04912	1.8
147.11674	2.4
157.63371	0.9
163.03915	2.8
173.13454	1.3
175.14806	54.9
176.15166	2.5
212.49297	0.8
231.04996	1.2
255.01715	2.0
273.02838	1.3
453.47232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.2
56.05037	0.9
57.05808	1.1
67.05497	0.6
67.79530	0.6
68.49947	0.4
69.03423	0.9
69.07092	0.6
69.13720	0.5
69.73190	0.5
70.06580	2.7
70.55010	0.8
72.08150	100.0
73.08471	0.7
74.06050	0.5
81.03427	0.5
84.04498	20.5
84.08176	0.6
85.02903	0.9
85.06537	0.9
86.09699	45.9
97.02850	0.7
97.06567	0.7
100.07615	0.6
101.07118	2.9
102.05540	0.7
127.03915	0.6
130.04994	43.6
131.11829	1.6
134.45552	0.5
145.02896	0.8
147.07632	62.0
163.03923	1.9
168.06552	1.4
171.14912	29.2
172.15305	0.6
185.16481	1.4
199.14404	34.2
213.16026	0.8
226.10695	0.7
242.15065	1.3
243.13396	6.1
246.14536	0.8
260.16034	61.1
261.16370	1.7
267.20703	2.5
296.11295	0.6
312.22757	7.6
335.79321	0.5
359.22964	1.4
369.21243	0.8
440.10822	0.9
458.30072	3.3
459.18588	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	458.9322
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57017	1.1
69.70634	2.2
69.70975	2.5
76.73372	1.1
97.93900	1.2
108.10208	1.2
114.89317	1.0
120.96642	1.5
131.01918	1.5
136.94008	40.0
149.56224	1.0
169.10463	0.9
191.39622	1.2
197.01323	1.1
220.98805	1.1
278.95172	100.0
279.95303	3.6
294.92896	10.6
296.88037	1.6
360.95743	1.2
371.96036	1.2
376.92972	1.7
387.79633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	44.0
64.60840	1.5
68.11050	1.5
69.75122	3.9
80.67801	1.4
84.96033	16.1
85.02870	2.7
86.49463	1.4
90.23334	1.3
97.02905	1.9
98.97578	100.0
102.97051	2.7
110.97559	26.6
112.99171	5.7
113.56078	1.8
116.98611	56.7
124.99194	1.7
128.98598	35.6
128.99518	2.6
131.00165	9.4
134.99644	20.8
140.98607	2.8
143.00180	11.8
144.98116	3.9
146.99637	21.1
149.01271	3.7
158.99634	10.1
161.01215	23.6
162.99155	2.9
163.97614	1.5
165.00735	2.6
170.99698	6.1
177.00732	13.9
179.02292	6.8
182.99698	2.1
189.00729	11.0
194.99675	2.4
195.01791	2.3
196.00368	1.9
197.01312	2.7
201.00554	7.4
207.01799	2.9
213.00682	6.5
214.01563	3.0
215.02277	4.7
219.01749	52.0
221.32881	1.5
229.03871	2.3
231.01726	1.5
237.02815	86.5
238.02962	1.7
255.01605	3.1
255.03957	4.3
258.00433	9.9
261.02780	19.8
273.02820	31.7
276.01544	4.6
279.03867	27.3
280.10968	1.4
291.03815	39.2
292.04510	2.2
297.02872	2.2
315.03845	10.5
329.05264	1.8
333.05051	4.3
336.01404	3.6
339.03912	7.5
341.05469	3.9
351.03671	11.0
357.04758	1.9
359.06488	5.2
369.04892	3.8
381.04837	4.8
387.05991	2.1
399.05945	38.9
407.94876	1.6
417.07004	60.7
418.07748	2.2
440.08185	2.1
459.07874	3.7
478.74142	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00871	0.6
69.56554	3.0
70.06544	1.7
72.08103	1.2
86.09685	0.8
90.06482	0.8
90.16814	0.8
91.12178	0.7
94.23976	0.7
98.22725	0.9
107.03547	0.9
117.03307	1.1
120.06530	1.0
134.04613	10.0
135.04369	1.5
140.02721	0.7
141.51762	0.8
145.02817	1.2
152.05623	1.6
160.02605	0.8
161.84602	0.8
163.03918	7.3
165.02299	10.4
167.02542	1.5
182.04944	77.3
187.83304	0.7
193.00485	0.9
197.15338	0.9
208.02864	100.0
209.03101	2.6
219.43294	0.8
219.64316	0.8
272.17859	0.9
287.03711	1.8
289.05338	1.7
297.10880	2.6
298.09271	2.2
304.39795	0.8
327.08679	51.3
328.09015	2.2
340.07123	0.9
364.01651	0.8
384.61469	0.7
415.19238	0.7
429.71979	0.8
459.18359	33.3
460.18942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24561	0.9
56.96559	3.6
62.52864	0.9
69.03423	1.6
70.24237	1.2
70.24577	1.8
80.84583	0.9
81.03413	0.9
85.02913	0.9
97.02898	3.9
97.78913	0.8
98.97570	13.6
100.00113	2.7
101.00268	1.2
101.00859	5.9
102.01631	1.1
104.09947	0.9
109.02865	3.0
110.97604	1.8
113.00883	2.8
115.02447	1.5
116.98614	10.3
118.01126	9.4
119.01914	14.2
119.04939	1.1
120.45926	0.8
121.06485	1.2
122.03629	1.5
127.02415	1.4
128.98616	2.5
131.01889	10.2
133.03479	1.8
134.99658	5.2
136.02164	1.7
137.03001	1.5
137.05965	42.3
142.01102	6.0
143.01880	11.7
144.02667	1.4
145.03445	6.0
145.73602	1.0
146.99648	1.4
147.04381	5.4
149.02910	1.3
155.01874	7.0
156.02643	5.7
157.03477	3.3
160.02179	7.0
161.02931	22.3
161.05907	2.1
166.01125	1.2
168.02689	3.1
172.02229	2.5
172.94371	1.8
173.02966	10.1
174.03670	2.5
177.00876	1.4
177.03972	3.1
178.01045	4.9
179.01923	2.3
180.94023	1.0
181.03476	7.3
184.02191	2.6
185.03003	2.8
186.03783	4.2
190.95409	1.0
193.03424	1.6
194.04242	3.4
194.94624	0.9
195.05008	23.0
196.02161	12.9
197.01276	1.8
197.02931	6.0
199.04562	2.8
202.03169	1.7
203.03992	7.8
204.02699	1.5
205.03409	1.9
207.05066	1.4
208.02187	1.6
210.03711	1.8
213.06108	2.1
214.03326	1.4
214.95523	2.1
216.98775	2.5
217.03380	1.4
218.04172	4.1
219.01762	2.9
219.05003	28.7
220.05316	2.2
221.02963	3.0
221.05067	10.3
222.03723	7.2
223.04497	7.7
225.05962	1.0
226.03159	2.9
230.03990	1.3
231.04982	7.2
232.05580	1.2
232.96507	6.8
233.06630	2.3
234.03476	1.5
234.99831	2.1
235.04430	2.2
236.05249	6.5
237.02879	2.2
237.06061	30.9
237.08403	2.0
238.06248	2.3
240.04832	4.0
241.03398	1.7
244.04257	100.0
245.04648	8.3
246.03740	4.0
247.04465	7.0
248.05322	1.7
249.06108	8.2
250.06555	1.5
250.97675	1.9
251.07474	1.1
252.04807	2.1
255.07280	1.4
256.96603	1.7
258.99893	2.6
259.04456	8.5
260.05154	1.9
260.99857	1.1
261.03229	2.0
261.05991	16.6
262.05246	12.7
263.05963	3.0
264.04782	16.1
265.05463	3.7
267.06976	2.2
272.05298	1.0
272.94388	2.1
273.03091	1.4
273.05997	2.0
274.97562	11.4
276.04919	2.1
276.97693	1.8
277.00806	2.4
277.05301	1.2
277.97397	0.9
278.06311	1.1
279.00598	1.2
279.04126	1.6
279.07098	19.3
280.07410	1.6
282.99942	1.7
285.06912	1.0
288.04669	2.4
290.95496	2.0
291.04181	1.7
291.07040	7.1
292.95544	1.4
292.98642	4.0
293.08655	1.1
297.08170	6.6
298.97818	4.7
300.04755	3.8
300.97632	1.1
307.06601	16.3
308.07065	1.1
309.08136	6.3
311.09631	1.2
314.95453	7.2
315.07227	1.8
316.95364	1.6
316.98798	9.2
317.99088	2.1
318.98489	1.6
320.07401	3.2
321.01181	1.8
321.08102	19.2
322.08380	1.2
323.09656	1.2
325.07443	1.2
331.06506	1.1
332.96576	3.8
333.08121	3.3
336.06824	3.7
338.95959	1.0
339.09125	2.4
348.06854	63.6
349.07251	8.2
351.09073	1.3
356.96436	5.1
359.00305	0.9
363.09192	32.6
364.09470	2.5
366.07846	9.0
374.97635	2.7
381.10251	76.8
382.10480	6.9
391.21844	1.1
398.97556	1.0
399.06042	1.4
399.11273	35.4
400.11493	2.4
417.06888	2.0
417.12167	2.6
434.95456	6.6
441.12387	13.2
442.13043	1.2
458.96332	2.7
459.13303	12.4
460.13818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46195	1.4
56.96550	2.9
68.55910	1.2
70.66426	1.8
71.34475	1.2
81.03401	1.8
81.99091	2.1
82.99823	1.5
86.53568	1.3
91.56979	1.3
95.23602	1.3
97.02887	4.8
98.97589	6.1
100.00108	3.5
101.00888	5.9
109.02888	1.6
110.97543	1.3
113.00868	2.2
116.98640	3.7
118.01148	5.8
119.01924	13.4
122.03661	1.5
131.01903	6.7
133.06470	1.6
137.02997	2.0
137.05975	41.4
137.07027	2.9
142.01094	6.6
143.01878	11.6
145.03488	6.3
147.04431	5.7
154.01115	1.8
155.01843	8.4
156.02711	5.6
157.03482	4.0
160.02191	7.3
161.02951	18.7
168.02734	4.5
170.00618	1.8
172.02191	3.2
173.02946	11.2
174.03822	2.8
177.03944	2.6
178.01123	3.8
179.01938	2.7
181.03459	8.3
184.02156	3.0
185.02966	4.4
186.03752	5.8
194.04243	1.6
195.04991	23.4
196.02155	12.9
197.02943	5.9
199.04353	1.9
203.03967	10.4
204.02573	1.8
205.03464	3.1
208.02361	1.5
210.03828	1.5
213.06091	2.7
216.02461	1.6
218.04210	3.5
219.01872	2.2
219.05011	32.2
220.05186	1.6
221.03114	2.4
221.05080	10.4
222.03754	6.9
223.04530	8.9
226.03200	2.5
231.05084	8.9
232.96558	1.7
234.03702	1.4
235.04456	1.7
236.05147	6.4
237.02849	3.4
237.06038	31.6
238.06358	2.9
240.04852	4.7
244.04254	100.0
245.04712	8.9
245.34259	1.3
246.03738	3.8
247.04573	7.5
249.06099	7.8
250.06577	2.0
251.07576	1.6
252.04726	2.0
259.04468	7.7
260.05270	3.3
261.06119	13.9
262.05252	13.5
263.05951	2.0
264.04785	15.1
265.05350	2.5
267.07126	2.0
273.06143	1.5
274.97556	4.2
279.07104	16.4
288.04803	1.4
291.07092	7.7
293.08484	1.5
293.22778	1.5
297.08133	8.4
300.04675	3.3
303.07098	1.5
307.06607	16.6
309.08295	6.7
314.95627	1.8
316.98862	2.0
320.07339	4.1
321.08130	18.0
322.08240	1.7
325.07642	1.7
331.06668	1.8
333.08414	3.0
336.06851	4.7
339.09201	2.2
348.06870	72.8
349.07367	7.2
363.09204	27.9
364.09671	1.8
366.07941	8.0
381.10263	79.9
382.10562	6.4
399.11313	38.4
400.11652	3.9
409.47787	1.5
417.12115	2.9
441.12375	13.6
459.13528	12.4
460.13852	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	459.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.5
58.29630	0.4
65.03941	4.2
67.05493	1.6
69.03423	0.5
69.27370	0.7
69.27776	2.0
70.06604	0.5
72.04510	1.3
78.03762	0.6
82.04168	0.9
85.02903	3.2
85.06531	0.8
86.09689	1.5
93.03405	1.2
95.04898	0.9
97.06524	1.2
101.89933	0.4
102.03751	0.7
108.02105	0.7
110.03637	2.4
111.04369	0.7
113.05959	0.5
114.03736	1.0
123.04405	0.4
123.08002	0.4
124.07563	0.5
125.05986	1.5
132.04759	1.1
138.03099	0.9
142.02608	0.7
142.08611	1.6
149.07434	2.2
153.05450	3.4
155.07005	0.6
159.33020	0.4
161.72606	0.5
163.03899	1.0
171.06479	3.8
181.04938	100.0
182.05304	2.3
184.09700	0.4
209.15042	0.4
243.11548	0.8
252.08656	15.2
253.09029	0.8
261.12646	4.2
297.78354	0.5
329.11636	10.3
330.11816	0.6
441.16837	9.0
459.18155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93393	0.6
69.03439	0.6
70.06567	1.3
70.65367	0.6
70.68346	0.8
71.77934	0.6
72.08144	0.7
79.05492	0.6
85.02903	1.2
89.03918	1.4
100.07601	2.1
103.03958	0.6
117.03362	2.2
135.04404	3.0
145.02838	3.6
147.04399	1.4
163.03873	17.2
177.05493	1.1
181.04990	1.9
185.04193	0.9
193.12025	1.8
195.13544	1.3
202.58537	0.6
203.05318	1.8
211.13055	5.3
229.03252	0.8
235.49312	0.6
243.04774	2.3
245.06274	4.2
271.04120	1.1
280.08133	0.8
287.03720	14.2
289.05258	24.9
290.05542	1.1
298.09177	8.5
373.18201	2.0
415.19330	16.1
416.19785	0.9
459.18289	100.0
460.18576	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	459.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	1.1
69.36967	3.9
70.06593	2.6
74.57873	0.9
84.48156	0.9
104.51085	1.0
117.21342	1.0
163.03896	6.7
164.04242	1.6
177.91574	1.1
181.04877	1.1
182.04974	3.6
183.09625	1.0
193.11977	1.3
195.13567	4.8
201.03819	1.2
208.02907	4.2
211.13078	3.3
243.04718	7.6
245.06377	3.2
258.33160	1.1
279.96664	1.0
287.03708	72.4
288.04193	1.5
289.05304	28.7
290.05777	1.4
320.76553	1.3
327.08664	1.7
373.18265	1.7
415.19418	7.8
459.18283	100.0
460.18561	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	459.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39285	0.6
69.03423	0.6
69.56889	0.7
69.57220	2.6
70.06593	10.4
81.07041	0.8
86.09699	0.9
89.03864	0.7
98.23475	1.2
102.96875	0.7
134.04631	1.6
135.04419	0.9
137.08080	0.6
142.22757	0.6
147.04373	0.9
163.03882	3.7
165.02299	1.8
182.04929	11.8
193.11971	1.4
195.13580	5.2
201.03745	1.5
203.05225	1.7
208.02859	13.8
211.13002	3.8
227.05116	0.7
243.04718	6.9
245.06313	3.3
271.04111	1.0
287.03708	77.4
288.04083	2.4
289.05273	25.1
327.08673	7.5
373.18332	1.5
415.19345	9.5
459.18317	100.0
460.18713	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	459.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79816	0.4
52.42630	0.4
52.59834	0.4
54.34544	0.4
55.56192	0.4
56.36819	0.4
61.01146	1.2
69.03432	0.5
69.40787	1.6
69.41187	0.7
70.06583	1.7
72.08137	1.6
85.02889	1.1
86.09695	1.5
89.03913	0.6
93.07056	0.8
96.67819	0.5
97.02861	0.9
97.04861	0.5
98.23416	1.1
98.97543	0.6
107.08567	0.8
117.03334	0.8
120.32629	0.5
127.00050	0.9
127.03986	0.6
127.49722	0.4
135.04350	0.8
135.11711	1.1
136.06201	4.4
136.07210	0.6
136.66502	0.4
145.02858	0.8
159.22231	0.6
163.03891	7.3
164.04172	0.5
169.79494	0.4
185.04303	1.0
193.12056	0.6
203.05273	2.5
211.12996	2.5
227.05109	1.0
229.02953	0.5
239.36113	0.5
245.06305	6.7
253.13040	0.6
271.04303	1.7
271.13907	0.7
284.80347	0.5
287.03751	0.6
289.05264	37.1
290.05640	1.7
298.09229	0.5
373.18314	2.1
397.18256	0.6
415.19391	10.0
416.19797	0.7
441.17267	0.5
459.18338	100.0
460.18774	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	459.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
55.05506	4.8
67.05501	11.1
69.03432	14.2
69.07063	5.3
69.29834	7.3
69.30255	3.5
79.05479	2.8
81.03407	6.5
81.07063	11.4
83.04980	3.7
83.08582	3.2
85.02893	23.4
85.94223	2.1
87.00835	11.0
87.13454	2.0
91.05456	4.5
93.07033	7.1
95.04967	6.3
95.08589	15.6
97.02895	10.6
99.04468	6.1
99.08107	4.7
101.05860	19.1
105.01875	9.0
105.07022	4.7
107.08589	14.0
109.00429	2.1
109.02888	6.7
109.06528	5.7
109.10145	56.1
109.10889	2.8
111.04443	3.2
119.08578	23.9
120.31728	2.3
121.10150	9.9
123.08060	9.0
123.11713	6.7
127.03891	15.9
133.10110	17.0
135.11674	36.4
135.75615	1.9
136.12086	2.2
137.09579	16.9
145.02777	2.4
145.04955	4.4
147.11578	2.0
149.13268	6.1
151.03893	100.0
151.04971	7.5
151.11198	3.5
151.14809	5.9
163.03838	2.4
175.14804	25.8
193.15871	36.8
211.16914	30.7
231.05049	3.4
295.08109	2.5
313.09094	3.8
459.24152	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	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
54.23254	1.0
55.01857	1.5
55.05508	8.6
57.03413	2.1
57.07071	3.0
59.05021	2.2
61.20884	0.9
67.05502	16.7
69.03426	10.5
69.07059	10.8
69.83664	1.4
69.84004	1.7
71.04979	3.9
73.76503	1.3
79.05487	3.2
80.98588	1.0
81.03403	4.0
81.07048	18.4
83.04977	8.8
83.08607	5.3
85.02903	13.4
85.06540	4.3
87.00827	4.4
91.05440	3.1
93.07039	10.1
95.04952	2.1
95.08600	35.9
95.77329	1.1
97.02869	3.3
97.10152	2.0
99.04465	1.6
99.08104	2.8
105.01865	3.7
105.07009	7.5
107.08578	21.4
109.02880	3.6
109.06509	8.3
109.10147	99.3
110.10472	2.2
111.08085	2.6
112.63579	1.0
113.09669	1.9
118.30463	1.0
119.07737	2.1
119.08576	42.6
120.08892	0.9
121.10129	12.9
123.08067	12.4
123.11700	8.9
125.09608	2.1
127.03909	9.2
127.11179	1.0
133.10121	24.7
135.04465	1.0
135.11681	100.0
136.11977	2.6
137.09599	15.3
137.13280	1.0
139.11177	2.6
145.02856	1.1
145.04955	2.5
147.11690	1.8
149.13263	6.7
151.03954	1.1
151.11209	7.7
151.14796	10.2
153.12747	1.9
159.02861	1.8
163.03928	5.6
164.04207	2.4
165.16444	2.5
173.05994	1.7
175.14819	44.5
193.15866	65.9
194.16223	2.6
195.23981	1.0
201.05550	1.5
211.09444	5.5
211.16920	68.0
212.17276	2.0
231.04985	1.2
271.04248	3.1
278.10196	2.5
279.10574	2.3
296.07681	1.0
296.11246	3.2
297.11615	4.1
323.73337	1.0
392.03552	1.3
445.56177	1.2
459.14560	4.3
459.21323	1.0
471.91873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.1
57.07056	4.7
65.86881	4.5
67.05492	21.4
69.03423	6.1
69.07061	11.7
71.42880	4.9
81.03403	7.8
81.07044	20.2
83.04974	9.6
83.08614	6.2
85.02905	8.3
87.00820	5.3
93.07047	9.9
95.08582	32.1
100.11382	4.5
100.12048	4.3
104.77810	4.3
105.07014	5.4
106.42013	4.7
107.08566	20.2
109.06506	8.2
109.10143	97.4
119.08585	30.1
121.10115	11.3
123.08042	15.0
123.11703	9.8
125.85056	4.5
126.05627	4.9
133.10103	17.1
135.11682	92.7
137.09601	19.3
151.11168	7.9
151.14807	8.8
163.03893	6.5
172.68221	5.1
175.14810	43.5
193.15863	61.4
211.16899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2505
Annotation	(+)-Sarodesmine
Peak:m/z	Relative Intensity
62.12027	1.7
65.82701	2.3
67.61066	2.0
81.07024	3.3
93.07001	2.2
93.09049	2.1
95.08652	3.4
107.08609	5.3
119.08575	2.2
121.10157	2.0
163.14847	1.9
164.66014	2.2
203.17941	3.1
239.06789	80.6
240.07152	2.9
256.26590	2.0
458.45767	2.3
459.25034	100.0
460.25198	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	459.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65848	0.7
60.09845	0.6
67.05495	2.4
69.07056	1.6
70.48038	1.6
79.05478	2.6
79.40604	0.6
81.07061	3.5
91.05485	2.6
93.07028	3.7
95.08589	2.6
105.07011	2.6
107.08579	4.5
109.10142	1.3
117.06993	1.7
119.08566	1.1
121.10107	1.6
123.04185	5.6
131.08514	1.0
133.10117	1.3
135.11647	1.0
145.10089	2.2
147.11681	0.9
159.11685	2.5
223.09393	100.0
224.09714	2.2
259.16687	10.2
299.80496	0.7
364.47000	0.7
459.27258	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	459.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00185	0.4
55.05506	1.0
57.07074	0.6
62.86720	0.4
63.22157	0.4
67.05122	0.4
67.05496	2.2
69.07062	1.9
71.08622	0.7
71.43351	0.4
79.05482	3.5
81.07043	4.5
83.08598	0.6
85.06537	0.5
89.06011	0.9
91.05469	2.6
92.43407	0.4
93.07034	4.7
95.08590	4.7
105.07010	6.4
107.08589	8.0
109.06510	0.4
109.10152	2.7
119.08566	3.1
121.06474	1.2
121.10098	2.9
123.04184	1.0
123.08075	0.6
123.11700	1.4
133.08548	0.8
133.10127	1.8
135.08069	0.5
135.11629	1.0
139.03641	6.0
147.11650	3.6
149.13228	0.7
151.07516	3.6
161.13255	1.1
163.14816	2.1
165.09105	0.7
191.10646	5.5
203.17923	1.3
223.09386	1.9
224.09685	1.0
225.09912	1.2
239.08875	100.0
240.09268	2.5
243.17099	0.5
257.15079	1.3
258.15479	0.7
259.15753	0.6
295.61154	0.4
309.22284	0.5
316.18222	0.9
445.90311	0.4
459.27139	10.1
460.26962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
67.05500	2.7
69.07058	1.9
69.49845	4.1
70.37185	0.8
79.05494	2.9
81.06631	0.9
81.07029	5.2
85.06535	1.2
91.05482	1.9
93.07048	3.7
95.08617	3.3
105.07014	5.0
107.08577	4.0
119.08556	7.1
121.10154	3.4
123.04190	4.0
133.10150	3.6
135.11745	1.0
145.10097	1.3
147.11653	1.4
149.13258	2.2
159.11691	2.0
161.13306	3.5
189.16344	0.9
216.54497	0.8
223.09395	34.4
239.08871	14.3
259.16660	31.7
297.57849	0.9
359.21826	7.8
459.27173	100.0
459.35260	2.9
460.27496	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	459.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.0
69.07034	1.3
79.05473	3.0
81.07050	2.4
88.33432	1.5
91.05460	3.7
93.07038	4.3
95.08605	2.6
105.07027	5.3
110.26157	1.3
114.48997	1.3
117.06976	2.1
119.08564	7.9
123.04163	6.4
125.59392	1.5
133.10065	1.6
145.10118	2.5
157.85793	1.4
159.11713	2.3
161.13196	1.8
163.15639	1.3
186.94362	1.6
223.09386	100.0
224.09682	3.2
259.16663	44.2
459.27090	29.2
460.27606	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.2
57.82571	0.5
61.26691	0.6
62.74203	0.6
67.05481	2.0
69.07048	1.4
69.18122	3.8
78.24327	0.6
79.05469	1.6
81.07047	5.9
88.07274	0.6
91.05450	1.5
93.07012	2.5
95.08595	6.3
98.23453	1.3
105.07014	5.8
107.08561	1.8
109.02625	7.7
109.10145	0.6
119.07829	0.7
119.08587	6.1
121.10128	1.8
123.04171	5.9
133.10065	1.8
137.13229	0.7
145.10085	1.0
151.93991	0.6
159.11617	1.2
161.13292	3.8
184.91631	0.7
223.09386	100.0
224.09715	2.8
253.62479	0.6
259.16669	25.2
260.17072	1.0
274.56708	0.6
441.34967	0.7
459.27130	22.2
460.27625	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68829	0.8
67.05490	1.1
69.07067	1.2
69.21976	4.5
77.79057	0.9
79.05478	1.8
81.07047	2.5
87.25391	0.8
91.05493	1.6
93.07051	1.7
95.08607	2.1
105.07039	3.9
107.08581	3.1
117.06970	0.9
117.75008	0.8
119.08545	4.1
121.10152	1.2
122.73532	0.9
123.04178	6.5
131.08569	1.6
133.10135	1.8
144.33636	0.8
145.10172	1.4
149.13286	0.8
151.87459	1.0
159.11696	2.9
160.57823	0.8
161.13300	1.7
165.40227	0.8
192.53734	1.0
223.09396	100.0
224.09747	2.2
259.13904	1.5
259.16666	31.3
260.17108	1.2
264.12073	2.2
269.93402	0.9
296.51154	1.0
351.08945	0.9
459.27182	28.5
460.27966	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05505	2.4
57.07050	0.8
67.05498	5.2
69.07064	3.1
74.04260	0.4
79.05487	1.6
81.07050	5.5
83.04967	0.4
83.08587	1.0
91.05450	1.0
93.07035	1.1
95.04975	0.7
95.08595	4.9
97.10145	1.0
100.62861	0.3
105.07034	0.9
107.08578	1.4
109.06496	0.4
109.10144	5.7
111.08071	0.4
111.11722	0.7
119.08572	3.6
121.10109	1.3
122.07273	1.9
123.11697	1.0
126.69698	0.4
131.08549	1.0
133.10129	0.9
135.08023	0.7
135.11653	0.9
137.09601	11.0
138.09901	0.6
139.11182	0.5
145.10123	0.4
149.09630	3.3
149.13219	0.5
151.07521	0.4
153.09047	0.4
161.13248	0.5
165.09099	100.0
166.09450	2.7
169.10126	0.4
175.11180	0.4
175.14740	0.5
176.15111	0.6
177.09096	1.5
179.10703	1.0
181.16296	0.4
189.09071	0.7
189.12714	0.5
190.09888	0.8
191.10599	0.6
203.10684	1.1
205.12241	7.2
205.15678	0.4
215.14311	0.4
215.17957	0.4
289.25284	0.4
307.26266	0.6
385.92896	0.4
413.34204	1.1
423.31982	0.5
441.27121	0.6
441.33551	2.3
459.28015	0.9
459.34406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
54.66753	0.5
55.05490	2.0
56.05023	1.4
63.02362	1.2
68.05049	0.7
69.03422	2.0
70.06602	4.1
70.73494	1.4
72.08141	1.1
79.05470	2.1
80.04997	1.3
81.03411	1.1
82.06583	3.2
83.07359	0.8
84.08128	7.2
85.02898	1.1
86.06058	7.1
86.09689	3.2
87.04472	7.7
89.03915	10.6
97.02875	1.2
98.23374	0.7
100.07612	52.6
101.07934	0.8
107.04941	3.6
109.02837	1.3
110.06030	4.4
111.04454	0.8
117.03371	13.0
120.04463	0.7
121.02863	1.7
127.03926	1.3
128.07063	10.1
132.04433	0.9
135.03360	1.1
135.04402	23.8
138.05505	1.2
144.06555	5.7
145.02844	16.2
145.03903	0.8
146.08141	1.2
148.03906	7.7
149.02310	1.1
150.05441	1.1
162.05528	0.7
162.09161	1.2
163.03888	100.0
164.04224	2.3
166.04964	1.5
176.03316	0.6
177.01817	1.8
178.08655	0.9
194.04486	3.2
195.02892	2.1
195.08881	1.0
206.08107	1.9
212.05537	1.1
218.08145	3.1
234.07639	0.6
235.27077	0.5
244.12061	0.9
251.27890	0.5
252.08620	1.8
254.10204	2.0
270.09711	2.1
272.11218	5.8
280.08151	6.8
280.83862	0.6
289.05408	0.9
290.05908	0.7
290.12344	2.2
298.09189	52.4
299.09448	1.6
303.02191	0.6
416.19626	1.1
441.80679	0.6
460.13437	0.9
460.18826	5.8
461.13611	1.3
461.19598	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01862	0.7
57.03422	0.7
61.01144	21.1
61.02906	1.1
62.05153	0.2
69.03419	5.4
69.60296	0.3
69.60641	1.0
71.01337	0.4
71.04983	0.4
72.08141	0.3
73.02936	0.3
75.02687	2.3
81.03400	1.4
84.08086	0.2
85.02892	8.5
87.02677	0.4
87.04446	0.4
94.04060	0.6
97.02882	9.7
98.23400	0.5
99.04457	0.9
103.02162	1.6
109.02863	0.9
112.20930	0.2
115.03914	1.0
118.86456	0.3
119.03545	1.3
127.03892	1.4
135.04440	0.5
136.06168	100.0
137.04561	1.1
137.06476	0.9
145.03162	8.2
145.04874	1.7
147.04665	0.7
163.04210	6.6
163.05841	0.3
163.06073	0.2
164.04327	0.2
233.18343	0.8
246.37321	0.2
298.09485	3.8
422.31110	0.3
432.12708	0.3
460.14615	6.4
461.15237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
57.03422	1.5
61.02918	1.0
61.84827	0.8
69.03423	7.0
71.04985	19.2
73.02909	1.4
80.25296	0.7
81.03407	8.1
83.01354	0.7
83.04977	3.2
83.11475	0.7
85.02890	10.8
87.00819	0.9
87.04468	1.3
89.06023	100.0
91.05464	4.7
95.04960	1.3
95.08566	1.1
97.02881	33.1
99.04439	5.4
105.01852	0.8
108.14271	0.7
109.02869	10.9
111.04442	4.2
119.04931	8.8
123.04398	0.8
127.03905	13.9
133.06456	1.3
135.06516	19.7
135.11676	1.1
137.05997	0.8
145.02866	1.4
145.04944	16.1
147.04396	48.1
148.04764	2.1
151.03998	0.8
163.03877	2.2
165.05458	4.7
177.05429	1.9
189.05486	1.6
189.07513	1.8
211.16829	0.9
215.09175	2.2
217.07042	0.9
243.08636	2.1
261.09665	9.1
263.12976	0.8
279.10773	2.7
291.08496	0.9
309.09702	0.8
338.36752	0.9
407.13147	1.0
425.14301	1.1
460.24817	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.01865	8.6
57.03427	6.1
61.02918	6.3
62.67980	1.3
65.03952	2.1
68.99783	2.6
69.03427	26.5
69.83678	3.0
69.84036	2.8
71.04981	4.2
73.02923	6.6
75.80639	1.5
79.05511	1.5
81.03412	31.4
83.04956	1.3
85.02902	73.9
87.00822	33.5
87.01316	2.3
91.03944	2.4
97.02890	30.2
98.06076	1.9
99.04440	12.0
103.05456	6.6
105.01157	2.6
105.01858	33.4
105.02534	2.5
105.07030	3.3
107.04946	8.0
108.04474	8.6
109.02872	31.3
117.01832	3.6
126.05524	5.8
127.03906	57.1
129.01833	4.0
131.36015	1.6
135.08069	5.4
139.03906	4.3
145.04951	24.4
147.02869	3.0
154.06235	32.5
159.02875	20.4
163.07527	26.5
168.46225	1.4
189.04050	1.6
195.10156	100.0
196.10471	4.1
213.04054	2.5
219.10210	1.6
230.06630	3.0
231.05032	14.2
248.07637	6.6
314.70956	1.5
460.18713	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	3.0
69.85998	2.1
69.86327	2.3
73.04758	1.4
81.03382	1.9
85.02899	2.0
86.09685	1.2
86.72145	1.1
91.05392	6.7
98.22756	1.4
119.04937	21.0
135.04416	1.8
136.48518	1.1
145.02869	1.3
147.04396	100.0
148.04744	1.7
163.03906	9.5
165.05429	2.9
179.86223	1.1
181.04913	1.5
193.03813	1.3
272.83383	1.2
272.95273	1.2
291.08752	1.4
294.01981	1.3
309.09628	3.5
335.46066	1.1
359.02890	2.1
461.15707	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	461.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30643	4.6
69.31039	5.8
81.03416	2.7
85.02915	3.3
85.38033	2.3
86.09686	3.0
89.03877	10.7
92.71304	2.1
105.76421	2.0
117.03357	23.1
123.08020	2.5
137.05962	2.0
145.02829	60.8
145.03935	3.7
145.14999	2.5
147.04405	5.9
149.05988	9.0
151.03889	14.9
165.09157	3.8
173.98277	2.0
177.05453	100.0
178.05728	3.3
222.06105	2.3
246.12126	2.7
263.12817	2.6
264.13043	3.9
321.09921	3.4
339.10791	4.5
461.19522	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	461.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08572	3.8
53.34121	4.0
55.02934	4.2
55.05501	6.2
68.86173	4.3
69.03423	6.7
69.07054	10.8
69.09808	30.4
71.86209	5.2
73.07016	4.1
79.05516	4.6
81.07050	20.0
83.08608	6.4
85.02881	9.1
90.61335	3.7
91.05427	4.2
93.07047	13.5
95.08591	29.4
97.10152	9.8
97.92416	4.2
99.08080	15.8
100.74533	4.6
105.07063	4.4
107.08597	21.9
109.02864	5.0
109.10121	6.1
111.08082	11.7
121.10126	40.9
125.09615	4.9
131.11044	3.8
135.11682	10.5
164.96603	4.3
169.11304	4.0
177.16374	100.0
178.16771	8.1
195.17389	20.4
213.18439	32.9
267.05676	4.5
337.77505	4.7
393.35855	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	461.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00179	0.3
55.05481	0.7
67.05457	1.5
69.07020	1.5
79.05486	3.0
81.07053	4.7
81.42234	0.4
83.08589	0.4
91.05434	1.6
93.07045	2.8
95.04946	0.5
95.08602	3.4
105.07015	4.5
107.07925	0.6
107.08580	7.7
109.10141	2.4
119.08550	2.7
121.10107	1.8
123.04178	0.5
123.11676	1.0
133.10083	1.3
139.49321	0.4
141.05211	8.7
147.11713	2.5
161.13252	1.8
163.14769	1.8
203.17929	1.7
213.21184	0.4
213.51907	0.5
241.10434	100.0
242.10764	2.8
243.17162	0.5
283.90826	0.5
385.31845	0.4
461.28696	14.4
462.28854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
55.46865	0.5
61.83067	0.5
67.05492	1.6
69.07049	1.4
70.34206	0.5
70.70846	0.7
71.04968	0.6
73.44663	0.4
78.49138	0.4
79.05488	3.2
81.07064	3.9
87.75567	0.5
91.05468	2.1
93.07052	2.6
93.52821	0.4
95.04970	0.6
95.08595	4.0
98.23170	0.8
105.07029	4.9
107.08591	7.4
109.10137	1.9
119.08594	2.4
121.10115	1.9
121.24538	0.5
123.04182	0.7
123.11687	0.5
133.10109	0.8
135.24167	0.4
141.05196	7.6
145.10118	0.7
147.11644	3.9
161.13254	1.4
163.14790	2.2
170.58673	0.5
171.45750	0.5
201.16267	0.5
203.17908	1.3
241.10442	100.0
242.10709	2.3
243.16902	0.6
308.37488	0.5
316.39548	0.5
345.41531	0.5
461.28683	13.9
462.29242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.1
55.05502	37.6
57.03431	16.3
59.50741	4.2
65.03931	4.3
67.05499	87.8
69.07063	36.9
69.07871	4.9
69.25448	4.2
71.04994	9.2
79.05486	78.5
80.18271	4.4
81.03378	5.3
81.07047	86.5
83.05013	6.0
83.08617	27.2
85.06509	4.7
91.05466	100.0
91.05982	7.1
93.07030	64.3
95.04954	21.8
95.08596	40.7
97.06522	7.4
97.10149	7.4
98.22659	8.7
105.04520	5.9
105.07016	74.0
106.07452	4.6
107.04954	8.7
107.08579	37.7
109.06518	16.0
109.10151	13.9
111.08067	7.0
113.78350	4.2
115.05443	11.3
117.07019	56.1
119.08573	37.3
121.06495	21.4
121.10122	16.3
125.09614	6.7
128.06215	20.4
129.06998	55.1
131.04912	4.9
131.08560	75.8
133.06500	12.3
133.10123	30.0
135.08009	13.1
135.11691	9.5
137.09587	11.0
138.58221	4.8
141.06963	29.0
142.07758	9.0
143.08546	47.3
144.09344	5.1
145.06494	19.2
145.10115	35.2
147.08049	15.9
147.11655	10.8
149.09660	14.6
153.06870	4.9
155.08577	42.8
157.06421	4.9
157.10098	28.2
159.08041	5.5
159.11696	14.1
161.09564	6.6
167.08571	14.9
169.10104	28.0
171.08051	6.9
171.11710	17.6
173.09593	6.0
173.13242	5.6
175.11215	6.3
181.10124	11.6
181.38557	4.5
181.62000	4.5
183.11674	18.1
185.13268	13.0
193.10080	9.6
195.11687	18.2
197.13275	15.4
199.11182	8.7
199.14798	6.4
203.14485	5.2
207.11954	5.1
209.13271	11.8
211.11148	5.5
211.14815	5.5
213.12759	12.6
215.14304	7.3
217.15912	6.5
221.13248	10.3
223.14766	6.9
227.14407	8.6
239.14285	9.2
257.15405	7.4
259.97018	4.6
305.36569	4.6
323.23633	9.7
333.22153	10.6
341.24710	13.8
351.23102	49.7
358.16580	4.2
359.02780	6.4
369.24228	99.1
387.25238	47.1
388.26096	4.8
415.28384	5.5
443.27881	77.9
461.28934	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01849	1.9
55.05504	5.6
57.03445	1.5
61.02913	1.2
62.04923	0.7
65.03938	1.8
67.05493	4.4
68.86768	0.8
69.03423	6.3
69.07049	1.1
71.42455	0.9
73.04751	2.9
79.05485	2.9
81.03410	2.1
81.07059	5.8
83.01299	1.0
83.04974	11.0
85.02895	10.3
91.05807	4.3
93.03391	1.4
93.07046	5.4
95.04966	3.1
95.08595	5.7
97.02905	4.0
97.06532	1.1
97.10166	2.7
99.04450	1.3
105.07025	4.0
107.04974	1.1
107.08581	3.4
109.02878	2.4
109.06499	2.4
109.10146	7.1
111.04437	60.9
112.04724	1.1
117.07007	2.7
119.04922	1.6
119.08574	3.6
121.02824	0.8
121.06513	1.8
121.10117	1.8
123.04429	3.1
123.08047	2.2
123.11690	1.2
125.02343	3.7
125.05946	1.0
125.09586	1.1
127.03925	2.0
127.11172	2.0
128.06190	1.1
129.06992	1.4
131.08557	4.2
133.10152	2.0
135.04433	2.2
135.08046	1.7
135.11713	1.2
137.02347	4.4
137.05971	4.7
137.09581	1.0
139.03906	6.4
143.08563	1.7
145.04929	1.4
145.06485	2.8
145.10136	3.1
147.04417	3.9
147.08051	1.1
147.11668	1.3
149.05960	2.1
149.09555	1.8
151.03883	2.3
153.05400	1.0
155.08578	1.9
157.04958	14.4
159.08076	1.8
159.11659	1.4
161.05997	1.7
161.09621	1.0
163.03920	2.4
163.07520	1.6
163.14799	0.8
165.05476	3.0
167.05548	2.8
168.09354	0.8
171.07967	1.0
173.13234	2.9
175.07571	2.1
177.05452	11.2
181.04909	4.4
183.11659	2.5
187.07571	1.4
187.11201	1.4
189.09013	1.3
191.07014	6.2
191.14342	1.2
201.12721	7.0
204.62212	0.9
205.08600	2.4
205.12207	2.0
211.11243	1.9
217.93329	0.9
219.13797	7.2
225.04318	1.2
229.12192	8.5
247.13278	100.0
248.13663	4.5
254.94368	0.8
265.14273	7.2
270.05258	0.8
350.02890	0.9
359.02838	4.4
429.08942	1.0
433.82779	0.9
437.83813	0.8
463.15701	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89406	4.3
55.01870	5.8
55.05508	7.2
57.03436	7.6
67.05502	18.0
69.03427	16.9
69.39651	15.6
69.40054	11.3
70.06602	22.9
71.06927	5.5
72.84285	4.7
79.05476	11.4
81.03407	6.9
81.07058	15.0
83.04961	11.0
85.02879	27.5
86.09698	35.5
87.10036	7.0
91.05470	15.3
91.05918	5.6
93.03400	6.9
93.07042	17.7
95.04967	42.9
95.08606	17.6
97.02860	10.1
97.06538	8.0
103.05457	6.6
105.07040	26.1
107.04995	7.9
107.08588	21.8
109.02885	15.4
109.06524	14.4
109.10107	8.7
111.04446	11.8
111.08012	6.8
117.03421	5.6
117.07047	10.8
119.08579	46.2
119.54703	4.9
121.06516	13.3
121.10160	20.3
123.04433	61.0
123.08031	11.4
125.06015	5.1
125.09638	13.8
127.03918	14.0
128.06244	7.5
129.06989	10.7
131.08572	19.0
133.06480	9.0
133.10123	11.0
135.04411	8.7
135.08044	6.8
135.11678	6.7
137.06029	7.2
137.09619	10.5
139.03897	39.1
141.05428	11.4
142.07756	6.6
143.08580	13.5
145.06558	6.5
145.10110	29.3
147.04417	8.6
147.08032	15.5
147.11671	5.3
155.08577	12.4
157.10170	15.7
159.08107	11.7
159.11717	12.5
161.09645	7.4
163.03946	26.1
163.07513	5.5
163.11153	17.0
167.05551	6.9
168.09383	7.8
173.09651	7.2
173.13251	14.5
175.07509	5.6
175.11189	9.7
176.21748	4.3
177.05513	7.7
179.10699	12.2
181.12189	11.7
183.11662	16.4
187.07457	5.0
187.11186	10.0
187.72934	5.6
189.09076	5.5
201.12646	29.5
202.12709	6.2
211.11205	22.1
219.13742	32.7
229.12224	100.0
230.12379	6.7
230.15681	7.2
233.81650	5.4
234.15520	4.8
247.13292	86.4
248.13664	5.3
265.14334	59.8
272.53122	4.6
283.15326	7.3
359.03006	14.9
462.18597	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	463.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31672	3.1
58.60907	3.1
62.20342	3.2
64.74680	2.7
69.71504	14.1
70.42546	3.5
75.63229	3.1
94.93019	20.0
120.96616	24.5
136.94025	6.6
138.96742	4.1
150.97682	9.2
151.00778	4.1
160.01332	3.8
175.70229	3.2
176.93582	4.6
180.97498	100.0
185.04291	3.9
192.97769	10.1
198.98599	47.6
203.05255	12.8
207.57843	3.6
210.98590	40.2
211.02919	4.9
222.98727	9.3
225.00165	3.2
228.99748	6.6
232.03482	6.0
239.62889	3.2
240.93245	3.5
240.99556	51.7
250.93579	4.1
252.99646	20.7
259.00830	7.9
264.99646	5.0
282.95688	3.6
283.00604	57.3
301.01645	21.3
304.93173	9.7
304.97757	4.4
343.02725	6.9
365.10599	39.9
381.07852	35.4
403.05368	50.1
415.86115	3.5
421.05862	14.8
463.06528	9.6
463.13141	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	463.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91145	0.5
56.96551	0.8
59.63086	0.5
69.07061	0.7
70.35416	1.2
73.04742	0.5
84.00044	0.5
85.02882	0.7
87.01896	0.5
93.07034	0.7
98.97566	2.5
100.11246	0.7
110.97575	1.0
116.98627	0.6
128.98566	0.6
133.10184	0.7
173.70284	0.5
180.47214	0.5
210.14919	0.8
219.01747	1.1
237.02852	2.3
291.09250	1.4
309.09985	0.6
337.09497	1.5
463.13611	100.0
464.13928	5.4
464.33789	0.6
481.14029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1574
Annotation	Cryptomisrine
Peak:m/z	Relative Intensity
65.23579	0.3
78.32539	0.3
80.93642	0.3
85.60096	0.3
87.61202	0.3
89.06258	0.3
92.63525	0.3
100.07613	0.3
100.11250	0.5
126.53841	0.3
164.97589	0.3
174.90729	0.3
185.04274	1.5
201.08873	0.6
210.14914	0.5
257.11414	0.5
301.10449	7.3
301.13840	0.5
302.10886	0.4
463.15729	100.0
464.16153	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	463.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
55.05503	0.3
65.03934	0.6
66.04738	0.2
67.05498	0.6
67.28944	0.2
67.66476	0.1
70.85806	0.2
75.04467	0.4
77.03891	0.3
78.04710	0.8
79.05489	2.0
80.06258	1.0
81.07046	0.7
89.03902	0.5
90.04681	1.2
91.05466	5.5
92.06242	0.3
93.03362	0.2
93.07045	1.0
95.04958	1.3
95.08589	0.4
103.05463	1.3
105.03397	0.8
105.04516	0.3
105.05486	0.2
105.07024	1.3
106.04147	1.3
107.04943	9.1
107.08593	0.3
108.05727	4.2
108.06454	0.2
109.06529	1.1
115.05426	0.8
117.07002	0.8
118.04163	0.8
119.04942	0.4
119.08551	0.4
120.05703	0.6
121.02869	0.3
121.06497	2.5
122.07297	0.3
123.04400	1.1
123.08050	0.7
129.06993	0.6
131.04922	1.2
131.08598	0.3
132.05682	0.5
133.06474	1.8
133.10071	0.2
135.04396	3.0
135.08029	1.2
136.05188	6.0
137.05959	2.8
138.06735	1.5
139.07521	0.7
141.06970	0.3
143.08551	0.5
144.05786	0.3
145.06442	1.8
146.07263	1.4
147.04292	0.4
147.08018	2.4
148.05170	8.5
149.05998	0.8
149.09581	0.4
150.06757	1.2
151.03917	1.5
151.07521	100.0
151.92033	0.2
152.07858	2.6
153.05455	0.4
153.09003	0.3
157.06497	0.6
158.07242	0.6
159.08032	1.5
160.08775	1.1
161.05969	3.6
161.09607	0.7
162.06731	0.6
163.07512	4.7
164.08272	1.0
165.05476	1.1
165.09100	5.3
166.06236	10.1
167.07005	2.9
168.07750	0.3
171.08043	0.9
172.08806	1.0
173.05981	1.2
173.09544	0.5
174.06731	1.1
174.10315	0.2
175.07526	1.7
176.08313	2.5
177.05453	0.4
177.09093	10.3
178.09761	0.6
179.07025	0.8
179.10626	1.7
180.07854	0.8
181.08572	58.9
182.08949	2.0
185.09549	0.3
186.10423	1.0
187.07494	1.5
188.08295	2.4
189.09077	3.9
190.09875	1.3
191.07060	0.5
191.10646	4.7
192.07797	0.6
193.08566	2.8
194.09326	0.7
195.10126	2.3
201.09084	1.7
202.09836	2.4
203.06952	0.6
203.10658	4.9
205.08563	0.8
205.12111	0.4
206.09386	0.6
207.10121	2.8
209.11700	0.4
215.10715	0.4
216.11420	1.2
217.08630	0.6
217.12186	4.3
218.12465	0.2
219.10120	0.5
221.11688	1.9
233.11661	1.7
235.13162	0.3
247.13289	1.8
251.12790	0.3
265.14328	0.2
269.10574	0.2
307.13278	0.3
311.16571	0.2
321.14764	0.4
322.15524	0.3
339.15878	0.6
350.67010	0.2
353.17450	1.2
354.13962	0.3
354.18176	3.8
355.14832	0.2
355.18878	0.5
370.17682	13.7
371.18115	0.9
385.20035	8.8
385.24280	0.1
386.20184	0.5
393.50510	0.2
403.20914	0.7
450.50223	0.2
463.30133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50452	1.5
53.19000	1.6
62.78563	1.6
67.05505	2.4
69.07892	9.2
69.08316	4.1
77.26048	1.6
81.07043	2.6
85.18319	1.5
93.07070	2.6
95.08595	3.1
206.58669	1.9
261.45120	1.7
445.29202	82.8
446.29694	6.6
463.30298	100.0
464.30618	6.1
477.12427	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11231	2.0
67.05497	2.2
70.93097	2.9
93.07019	2.0
100.00007	1.5
115.68192	1.7
116.89698	1.6
122.80981	1.5
129.32643	1.5
288.42224	2.1
398.06998	2.0
445.29199	70.4
446.29462	4.1
463.30298	100.0
464.30392	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	463.3051
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02365	0.8
53.03936	2.9
55.01863	2.7
55.05508	18.3
56.75182	0.7
57.03431	5.0
57.07067	2.3
65.03940	3.4
67.05499	77.2
69.07060	25.9
70.34064	0.6
71.01344	0.7
71.04983	4.8
71.08632	1.0
73.02901	0.8
77.03928	1.9
79.05486	51.8
80.05843	1.0
81.03437	3.0
81.07049	100.0
82.07375	1.7
83.04977	7.2
83.08607	16.8
85.06519	3.8
86.04716	0.6
88.37384	0.6
88.98360	0.6
91.05468	35.4
92.85003	0.6
93.07035	67.1
94.07375	0.9
95.04964	11.7
95.08598	23.9
97.06522	10.7
97.10159	2.3
98.22658	1.1
99.08083	3.6
105.04506	2.7
105.07019	11.2
107.04945	1.5
107.08582	36.2
109.06502	3.1
109.10186	3.4
111.08074	8.2
111.11716	0.7
113.06014	0.9
115.05428	1.3
117.07007	11.9
119.06043	1.3
119.08571	5.1
121.06497	2.0
121.10127	19.3
121.10985	1.2
123.08066	0.9
123.11712	3.2
125.09694	0.7
129.07010	1.4
131.08553	12.5
132.08994	0.7
133.10118	13.1
135.08026	1.6
135.11685	9.8
139.11182	0.9
143.08589	0.9
145.02461	0.7
145.10124	1.8
147.11682	2.3
149.09575	0.9
149.13243	32.5
150.13564	1.0
151.11169	1.9
153.09117	0.8
155.08578	0.8
157.10092	1.2
159.11685	13.3
167.14343	1.2
177.12744	7.9
184.97617	0.6
186.74210	0.6
195.13776	21.1
199.09027	0.6
199.14853	0.7
213.14845	2.5
233.15292	0.6
251.16351	0.9
269.17389	0.8
353.24707	1.7
371.25809	2.4
389.26935	1.8
445.29474	2.8
463.30490	58.7
464.30774	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	463.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01856	4.5
55.05507	31.4
57.03420	8.8
64.46673	2.0
65.03937	6.3
67.05500	81.0
69.07059	26.0
71.04976	5.3
79.05486	68.0
81.03413	2.4
81.06565	4.0
81.07050	75.8
83.04979	6.7
83.08620	14.4
85.06541	4.4
91.05471	87.3
93.07040	63.1
95.04959	12.9
95.08596	46.1
97.06514	9.2
97.10161	3.6
103.05460	4.9
105.04523	3.6
105.07026	66.8
107.04961	4.3
107.08572	29.6
109.06522	9.3
109.10157	14.1
111.08061	4.0
115.05449	4.2
117.07018	38.0
119.08574	43.7
121.06492	11.1
121.10143	24.0
123.08092	2.6
123.11713	4.6
125.09589	2.1
128.06227	5.3
129.06981	26.5
131.08556	62.0
133.06467	4.5
133.10118	32.8
135.08023	6.0
135.11682	4.1
137.09563	4.2
139.11128	2.3
141.06956	8.9
142.07805	2.8
143.08551	23.4
144.09306	2.2
145.06480	3.5
145.10114	33.1
147.08061	7.3
147.11679	9.4
149.09586	5.3
149.13240	7.4
151.11163	2.4
155.08574	12.1
157.06447	2.1
157.10130	17.5
159.08011	2.1
159.11674	15.0
161.09659	3.1
161.13226	3.9
163.11215	4.2
167.08553	5.2
169.10130	11.1
171.07973	2.0
171.11705	14.4
173.09738	2.3
173.13254	6.6
175.03726	2.0
177.12697	3.2
181.10103	6.0
183.11703	4.6
185.09608	3.3
185.13223	7.4
187.11214	3.4
187.14864	5.6
195.11697	5.5
195.13876	3.1
197.13234	9.8
199.11147	3.0
199.14790	5.8
205.15901	2.6
209.13307	5.1
211.14746	7.3
213.12827	2.7
217.15775	2.7
219.06554	6.0
219.17426	2.8
223.14844	4.8
229.15813	2.5
231.17400	2.0
233.15492	3.3
241.15936	2.4
247.16946	3.1
255.17288	3.0
259.16891	3.3
261.18433	4.2
273.18384	3.2
287.20102	2.2
325.25067	10.3
335.23682	12.2
343.26208	15.4
353.24677	40.2
354.25012	4.2
371.25781	55.9
372.25952	3.4
389.26855	52.6
390.27301	2.6
427.28464	4.2
445.29453	100.0
446.29785	7.6
453.57889	2.1
463.24368	3.5
463.30508	50.3
463.37054	2.9
464.30042	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03944	2.5
55.01866	4.3
55.05255	1.2
55.05509	17.6
57.03432	8.5
57.07074	3.2
65.03936	3.1
67.05501	81.3
68.05812	0.8
69.07066	27.0
69.07451	1.4
71.04996	7.4
73.02900	1.3
73.37331	0.7
77.03915	1.1
79.05489	49.4
81.03419	2.1
81.07053	100.0
82.07381	1.8
83.04987	7.6
83.08613	19.9
85.06541	4.5
88.93887	0.6
91.05473	27.6
93.07040	75.3
94.07365	0.7
95.04966	11.6
95.08604	25.0
96.08921	0.7
97.06525	14.7
97.10172	1.8
99.08087	4.7
105.04513	2.5
105.07030	10.4
107.04964	0.8
107.08589	39.8
108.08845	0.7
109.06495	3.2
109.10146	3.1
111.08086	9.4
113.06007	1.6
113.09654	1.0
117.07008	10.7
119.08588	3.2
120.36899	0.6
121.06514	2.2
121.10139	21.5
123.08079	1.2
123.11697	2.9
125.09620	1.0
131.08560	11.4
131.09477	1.1
133.10126	9.0
135.08057	1.6
135.11685	11.8
139.11169	2.3
147.04436	0.8
147.11702	2.7
149.09689	1.0
149.13252	50.9
150.13582	1.5
151.11179	1.3
157.10158	0.7
159.11691	21.8
167.14348	1.4
177.12721	10.1
195.13791	16.3
213.14903	3.0
214.39749	0.6
251.16463	0.9
269.17419	1.0
270.45975	0.7
389.27036	1.1
463.30545	54.7
464.31302	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.3
53.03946	3.8
55.01859	5.5
55.05505	30.9
57.03440	12.9
65.03925	4.6
66.15643	2.0
67.05499	90.5
69.03420	1.9
69.07057	28.7
69.69670	5.2
71.04968	6.1
77.03929	3.6
79.05482	68.4
81.03418	3.0
81.07049	85.8
83.04987	4.3
83.08613	14.3
85.06534	4.9
91.05470	100.0
93.07035	72.0
95.04968	17.4
95.08020	3.5
95.08598	45.3
97.06511	6.8
97.10143	4.7
97.13505	1.6
99.08126	3.2
103.05470	4.3
105.04499	3.9
105.07020	87.3
107.04947	6.6
107.08578	33.8
107.23352	1.5
109.06513	9.9
109.10167	15.0
110.12318	1.9
111.08048	2.9
115.05442	6.3
116.06223	2.0
117.07000	43.7
119.08569	48.8
121.06446	9.2
121.10131	22.3
123.08070	4.6
123.11699	4.0
125.09597	2.5
128.06195	6.7
129.06992	30.2
130.07748	2.9
131.08554	67.5
133.06464	5.5
133.10117	29.4
135.08025	8.1
135.11688	9.6
137.09593	4.6
141.07008	9.0
141.07993	1.7
142.07767	4.0
143.08553	27.6
144.09319	1.8
145.06465	5.7
145.10115	39.3
146.08363	1.6
147.08043	6.7
147.11687	8.4
149.09602	6.3
149.13240	4.7
151.11159	2.6
154.07733	2.7
155.08508	15.5
157.10107	20.5
159.08034	3.6
159.11665	17.9
161.09613	5.3
161.13223	4.6
163.11165	2.3
167.08531	6.0
169.10098	11.8
171.08049	2.7
171.11665	13.6
173.09598	2.5
173.11790	2.2
173.13235	7.3
175.11131	2.5
175.14774	2.4
181.10104	7.1
182.10857	1.6
183.11658	6.4
185.13208	9.9
187.11176	2.7
187.14812	6.1
195.11662	6.8
195.13522	1.8
197.13168	11.3
199.14764	7.4
201.12746	3.1
201.16344	3.5
205.15898	1.8
209.13249	8.1
211.14819	7.2
213.12883	3.5
213.16393	2.2
215.14336	3.1
219.13698	2.7
219.17384	1.6
221.15430	2.3
223.14771	3.9
225.16321	2.8
227.14369	3.7
227.17856	1.9
229.15891	2.0
233.15353	3.4
235.14719	2.0
237.16342	2.1
241.15797	3.5
241.96744	1.4
243.17395	1.7
245.15320	2.8
247.16855	9.1
250.54465	1.5
255.13927	1.7
255.17381	3.6
259.16907	5.4
261.18320	3.8
269.18884	2.3
273.18484	4.9
275.20197	2.0
287.20135	2.2
307.23962	2.5
325.25293	11.3
335.23621	12.1
336.23898	2.0
343.26315	18.6
353.24719	45.4
354.24887	3.5
371.25748	58.5
372.26089	4.0
389.26804	55.2
390.15009	1.8
390.27023	3.2
417.29837	1.8
427.28275	5.4
445.29462	75.9
446.29788	5.6
463.24448	3.2
463.30502	50.0
464.30603	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.05507	26.6
56.05932	6.5
57.03437	11.5
65.03972	7.0
66.12712	7.8
66.43628	5.7
67.05504	79.8
69.07071	33.7
69.52007	27.2
79.05480	69.5
81.06612	10.8
81.07047	76.4
83.08584	8.0
91.05471	100.0
93.07028	73.0
95.04958	11.0
95.08604	49.2
105.07017	90.3
107.04958	8.6
107.08586	31.8
109.06525	10.2
109.10143	18.4
117.07008	37.0
119.08569	46.7
121.10166	22.3
129.07019	33.2
131.08569	67.5
133.06535	6.4
133.10112	28.2
135.08089	9.6
135.11638	8.8
138.51891	7.9
141.06952	13.4
143.08562	29.4
145.10121	38.1
147.04434	13.0
147.11696	9.0
148.05287	7.8
149.09596	7.5
154.07744	6.6
155.08562	21.0
157.10155	22.3
159.11716	19.8
167.08476	8.7
169.10135	13.0
171.11597	16.0
173.13254	8.3
175.11201	7.1
185.13190	10.0
188.26813	7.0
195.02892	7.8
197.13400	7.1
199.14844	9.2
259.16925	9.6
260.91049	6.5
335.23911	11.0
343.26324	16.3
353.24615	46.3
371.25775	53.1
389.26831	55.5
423.28738	7.6
445.29520	74.6
463.30463	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
54.66642	0.5
62.20164	0.5
65.03937	2.6
66.87298	0.7
67.05520	0.6
69.03441	3.0
69.76306	0.9
69.76615	0.9
72.59579	0.5
81.02956	0.8
81.03410	8.9
83.04970	0.6
83.45378	0.5
85.02909	2.8
85.55178	0.5
89.81710	0.5
95.04955	5.9
97.02883	5.5
98.23370	0.7
99.04433	1.2
109.02857	4.5
110.20786	0.5
111.04443	1.1
119.04915	0.6
121.02856	100.0
122.03210	1.7
127.03883	3.1
139.03891	17.8
140.04245	0.7
142.45395	0.6
145.04936	1.6
147.04359	1.6
201.16341	0.6
209.05812	0.5
265.07037	14.0
265.32144	0.5
283.08109	12.6
368.00699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.5
51.02381	1.7
53.03937	4.1
55.01862	1.0
57.03424	1.3
58.86744	0.3
60.81292	0.4
64.21603	0.4
65.03928	0.4
69.03423	10.8
71.04981	1.2
73.02908	0.8
77.75846	0.4
78.03446	20.6
79.03798	0.5
80.05002	2.6
81.03410	24.3
85.02898	9.6
85.90411	0.4
87.04465	0.4
91.05481	1.3
95.04956	1.1
96.04489	5.9
97.02889	6.4
99.04443	3.6
103.05505	0.4
105.07081	0.4
106.02904	66.2
107.03269	1.1
107.04921	0.8
109.02866	14.5
119.04915	3.0
120.04472	0.8
121.02854	17.0
122.07146	1.6
123.04435	1.2
124.03937	100.0
125.04270	1.5
127.03896	8.6
131.04886	0.8
136.07555	2.6
137.05971	5.7
139.03944	2.4
145.04955	1.0
147.04405	5.7
163.03905	1.0
165.05479	2.4
166.04968	2.1
178.18456	0.4
179.06995	1.9
182.08066	3.2
196.05981	1.1
202.04897	0.5
208.06075	0.6
219.02827	0.5
226.07169	0.6
232.06062	2.4
232.07965	0.4
250.07077	31.9
251.07390	1.1
265.07043	1.1
268.08133	32.9
269.08536	1.1
303.04916	1.0
340.50082	0.5
464.15588	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	464.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
54.88587	0.7
55.01860	2.0
57.03437	3.8
59.62598	0.6
60.62690	0.6
61.02918	9.8
62.12642	0.8
64.88570	0.6
67.19231	0.6
69.03062	1.5
69.03426	19.1
69.03808	1.4
69.32054	3.4
71.04991	2.2
73.02921	3.4
79.05489	2.9
81.03413	6.4
85.02899	100.0
85.95115	0.7
86.03225	1.3
87.04463	2.4
91.03935	5.7
91.05782	1.9
91.38293	0.6
97.02884	28.9
98.06031	0.8
99.04473	4.0
103.03957	1.0
105.03392	1.2
109.02873	8.0
123.04427	7.9
126.05569	1.1
127.03167	0.5
127.03905	26.9
144.06577	2.5
145.04944	48.2
149.04663	0.7
162.07668	1.3
163.06004	14.3
163.07306	1.1
167.05478	1.2
180.08705	0.8
181.04900	1.0
181.08510	0.9
225.97437	0.7
285.09637	1.3
361.02518	0.8
385.19522	0.7
464.15945	1.5
470.90668	0.8
479.50345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84890	1.8
69.03413	5.0
69.49907	10.0
78.03455	3.5
81.03401	6.3
81.04546	15.2
85.02894	9.5
89.03912	4.4
91.05444	3.7
93.07046	3.0
95.04976	4.2
95.08604	2.4
97.02856	5.0
105.07015	7.7
106.02930	10.8
107.04943	3.7
109.02876	3.3
109.06521	2.7
117.03377	5.4
119.08579	2.3
122.07140	45.9
123.04420	2.6
124.03931	13.5
126.60237	2.1
129.07011	2.3
131.08563	5.6
135.04388	14.9
137.05974	6.2
140.08154	12.1
143.08543	4.2
145.02826	9.0
145.04921	3.0
145.10135	7.5
147.04404	5.8
157.10130	2.7
159.11615	2.6
163.03883	100.0
164.04259	3.0
173.09596	4.1
179.07066	3.8
181.04961	3.2
191.10767	2.3
213.12584	2.2
219.02838	3.0
219.13766	2.6
231.13747	7.3
236.70966	2.4
250.07031	2.2
268.08136	6.1
302.13504	2.4
303.04907	8.4
307.08258	3.1
325.09232	5.0
361.02554	2.4
371.85172	2.2
392.00012	2.9
464.16678	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	464.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01862	2.0
57.03429	5.1
58.27527	0.4
60.04521	0.5
60.71237	0.4
61.02917	8.6
65.03924	0.4
69.03423	15.6
70.31319	0.4
71.01347	0.5
71.04983	2.0
73.02911	3.4
73.04760	0.9
79.05478	0.5
81.03408	6.3
83.01366	0.4
85.02898	100.0
86.03226	1.5
87.04476	2.3
91.03944	5.5
91.05771	1.7
97.02884	23.1
99.04452	3.9
103.03901	1.1
105.03398	3.0
105.07024	7.0
109.02864	9.2
111.04448	0.8
115.03981	0.8
117.06992	1.1
119.08547	0.8
123.04406	0.5
127.03907	25.5
135.11697	0.6
139.03893	1.2
143.08522	0.6
145.04947	47.3
146.05272	1.3
147.08032	1.6
162.07474	0.5
163.06007	18.1
165.06938	0.7
167.05527	0.5
167.25566	0.4
181.05054	0.4
196.66690	0.5
201.09146	0.7
204.88858	0.5
216.10176	5.1
223.50426	0.5
231.10165	1.3
239.07059	0.5
249.07669	0.9
249.11243	1.2
270.14908	2.0
285.13257	2.2
302.17496	6.5
324.66885	0.5
361.02661	1.1
417.00363	0.5
431.08051	0.5
464.16562	0.8
464.24057	0.6
465.10101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42008	10.5
65.15839	10.4
67.05490	21.4
69.03438	16.8
69.57008	36.8
70.06571	12.0
73.04757	23.0
75.39995	13.6
79.05471	32.4
81.07052	49.0
85.02881	24.7
91.05415	38.8
91.05863	21.4
93.07047	41.3
95.04958	15.2
95.08602	16.8
98.23479	20.3
105.07024	79.7
107.08578	34.0
109.06469	14.5
117.06984	39.5
119.08563	21.8
128.06200	15.0
129.06985	48.5
131.08545	71.1
133.10110	43.1
143.08543	66.5
145.06398	19.2
145.10106	100.0
147.08044	15.2
155.08522	24.9
157.10083	32.9
159.11687	17.3
161.09615	28.2
161.13261	18.9
167.05458	21.7
171.11691	19.4
172.38141	13.6
173.09586	57.0
185.13271	35.1
188.01665	11.3
191.10664	24.3
203.10275	11.8
203.14230	21.7
212.66797	12.5
213.12688	49.2
219.13638	28.0
231.13765	87.4
249.14894	42.8
267.15778	15.3
280.17551	11.9
285.12329	12.7
303.04907	14.6
303.13321	22.7
361.02496	38.7
431.08777	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	464.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19957	1.2
53.03924	1.4
55.01868	4.4
55.05500	6.1
57.03428	13.3
57.07071	1.4
61.02921	4.0
67.05475	1.8
69.03429	14.1
69.07082	1.3
69.70351	2.2
71.01349	1.7
71.05009	1.8
73.02912	13.5
74.33117	1.4
79.05495	16.2
81.03439	2.5
81.07065	3.2
83.04970	1.4
83.08633	1.6
83.26093	1.1
83.94884	1.3
85.02901	44.7
85.59556	1.1
87.04467	2.8
91.05460	16.3
93.07035	100.0
95.04948	7.6
95.08585	7.1
97.02889	20.3
98.23458	2.7
99.04458	1.8
100.11262	7.0
102.35746	1.3
105.04520	2.7
105.07016	4.5
107.08592	25.8
109.02872	4.0
109.10149	6.0
111.04433	1.7
115.03907	12.2
117.07024	2.1
119.08523	2.2
121.10127	2.2
127.03922	11.9
128.06296	1.5
129.07033	1.8
131.08594	1.6
132.06546	1.7
133.04962	16.4
133.10129	1.9
135.11674	36.6
135.12642	2.2
145.04950	13.4
147.11682	1.5
150.07614	2.3
152.14308	1.3
153.07045	1.4
153.12740	5.0
163.05971	3.0
181.12297	1.5
182.15485	2.9
185.09213	1.3
190.34850	1.3
210.14818	1.7
241.07072	2.5
249.14653	1.7
303.19525	4.7
464.33295	11.3
464.83487	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03950	2.2
55.01871	5.2
55.05498	1.1
57.03433	9.6
57.07064	0.9
59.04994	1.6
61.02924	4.5
63.80053	0.4
65.03952	0.6
67.05501	1.2
69.03426	13.8
69.07056	1.2
69.19753	0.4
71.01354	2.6
71.04984	0.7
72.04507	1.0
73.02914	11.9
75.04465	0.3
77.03918	1.3
79.05489	16.7
81.03413	3.5
81.07053	1.3
81.23589	0.3
83.04984	0.5
83.08608	0.4
85.02900	41.2
86.03263	0.5
87.04473	2.0
91.03955	0.9
91.05032	0.3
91.05473	14.7
93.07039	100.0
94.07369	1.4
94.60272	0.3
95.04960	8.0
95.05528	0.6
95.08598	1.8
97.02886	15.5
99.04462	1.6
103.03938	1.6
105.04525	2.6
105.07021	2.9
105.19530	0.4
107.08589	17.5
108.08965	0.6
109.02869	3.4
109.06524	1.0
109.10146	1.5
112.90255	0.4
115.03934	9.3
117.07018	1.4
119.08572	1.2
121.10164	1.3
127.03918	9.6
127.04868	0.5
128.06253	0.4
129.07019	1.2
131.08562	1.3
132.06552	1.7
133.03952	0.5
133.04967	9.9
133.06485	0.7
133.10139	1.6
135.11688	27.9
136.12045	0.6
143.08589	1.3
145.04944	11.9
145.10123	0.7
147.08040	1.0
147.11676	2.2
150.07584	3.0
153.12662	0.8
159.08003	0.8
159.11661	0.7
163.06009	3.9
171.11572	0.5
177.12770	0.8
181.12234	1.3
198.26511	0.4
201.12764	0.5
219.13899	0.5
223.06041	1.0
231.13815	0.7
241.07115	1.4
249.14838	0.6
259.08157	1.5
261.14743	0.5
263.47925	0.4
267.15979	0.6
295.10056	0.5
297.17004	0.7
459.07663	0.5
464.16220	0.6
465.14966	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.94331	0.2
53.03931	0.6
53.98336	0.2
55.01862	0.5
55.91935	0.2
56.00087	0.3
57.03409	0.9
58.51709	0.2
59.37212	0.2
61.02911	1.9
65.03919	0.3
65.46364	0.2
68.99778	1.1
69.03419	2.8
71.04958	0.6
73.02904	0.5
81.03402	1.5
85.02897	9.6
87.04452	0.5
91.03950	0.6
95.04972	0.4
97.00795	0.2
97.02882	2.9
98.22715	0.8
99.04447	0.7
109.02861	1.2
111.00784	1.1
115.04140	0.2
121.02838	1.4
123.04424	0.7
127.03904	2.1
131.04906	0.3
135.04451	0.3
137.02321	4.2
145.04935	1.8
145.06482	0.4
146.05289	0.3
149.02356	0.4
153.01814	5.2
155.04865	0.4
159.04405	0.3
163.03893	0.5
165.01797	2.2
166.02505	0.4
173.05978	0.8
177.05348	0.4
179.03453	0.2
183.02939	1.3
183.04306	0.4
187.03906	0.3
201.05417	2.7
205.04868	0.4
211.03772	0.2
219.02881	0.3
219.06587	0.3
229.04941	5.8
230.05301	0.3
247.06015	0.8
257.04453	3.2
274.04681	0.7
285.03781	1.2
303.04944	100.0
304.05264	4.4
315.05020	0.5
345.06183	0.5
368.97321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01862	0.7
57.03432	1.0
61.02914	1.5
68.99773	1.3
69.03430	3.1
69.13737	1.4
69.14152	0.9
71.04956	0.4
71.21958	0.3
78.62209	0.4
81.03413	2.4
85.02402	0.6
85.02897	10.5
87.04465	0.6
91.03950	0.7
97.02888	3.5
98.22694	0.7
109.02874	1.8
111.00793	1.3
120.72439	0.4
121.02863	1.4
123.04428	0.5
127.03877	2.1
137.02321	3.9
141.46643	0.4
145.04962	1.0
149.02286	0.6
153.01826	6.1
155.04855	0.5
163.03841	0.8
165.01836	3.4
166.02621	0.4
173.06023	0.6
183.02902	0.9
183.04462	0.5
201.05452	2.8
219.06383	0.4
229.04933	5.9
247.05981	0.8
257.04453	4.3
272.60724	0.4
274.04681	1.2
285.03879	1.4
303.04962	100.0
304.05280	4.7
310.13974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	1.9
69.24786	4.5
79.05489	1.0
79.92923	0.8
81.03440	1.2
81.07043	1.4
85.02888	2.1
87.00835	1.0
87.48773	0.9
91.05483	1.6
93.07036	1.1
95.08572	2.3
97.02863	1.7
98.23434	1.7
102.99388	0.8
105.01823	1.1
105.06970	0.8
105.53785	0.8
107.08631	1.8
109.02905	0.7
119.08596	1.4
127.00071	1.1
127.03873	1.6
131.08481	0.8
143.08539	1.4
145.10054	1.1
147.04417	1.5
157.10078	1.5
159.11673	1.5
167.03136	1.1
195.65408	0.9
199.14819	4.2
201.05240	2.1
216.07562	14.5
217.08371	11.3
217.15872	1.1
227.05272	3.0
271.04227	3.1
347.12555	8.8
353.47607	0.8
379.13580	6.0
398.13068	0.9
421.14645	46.4
422.15176	1.7
465.13541	100.0
465.19043	11.9
466.13733	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	465.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83085	1.3
51.72059	1.4
56.04089	1.5
67.64098	1.4
80.37739	1.6
81.03403	2.7
85.02891	4.3
91.05782	2.8
93.03394	2.4
95.38432	1.5
104.18638	1.8
109.02888	2.7
111.04470	3.5
121.02834	2.1
125.05937	2.4
140.11656	1.6
140.60532	1.4
151.03908	100.0
151.05005	7.4
152.04227	2.2
169.04985	8.2
177.64622	1.5
245.20497	1.5
295.08096	4.3
307.64957	1.6
313.09103	5.6
340.06830	1.6
426.18179	1.7
465.13596	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.8
65.03930	1.3
65.28561	0.3
67.05489	1.4
67.40916	0.3
69.03429	0.8
73.48612	0.3
79.05514	0.4
81.03405	0.6
81.07059	0.8
82.06575	0.7
83.05006	0.6
83.08611	1.5
85.02917	0.5
91.05473	14.5
93.07034	0.5
95.08607	0.4
97.02879	0.4
100.07612	0.6
100.11252	5.2
105.07025	0.8
111.04442	0.7
118.07345	0.3
119.04934	27.8
119.08523	0.4
120.05244	0.5
122.21381	0.4
128.07065	0.6
133.10110	0.6
139.08678	0.4
140.06966	0.4
147.04396	100.0
148.04774	2.4
151.11197	0.4
165.05354	0.4
182.15427	1.6
199.14725	0.5
209.16525	0.6
210.14870	1.7
210.16762	0.5
211.15080	0.4
303.04990	1.0
329.04880	0.4
342.74353	0.7
349.21680	0.4
364.40405	0.3
400.80200	1.5
401.30264	1.1
401.80679	0.5
405.78040	0.6
455.32660	1.4
455.82904	1.7
464.33450	5.3
464.83447	7.2
465.12903	0.9
465.18536	0.6
465.33423	2.8
465.84021	0.4
474.33780	0.4
475.33386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91394	3.5
53.03934	14.0
55.01861	10.2
55.05522	5.3
57.03428	10.3
61.02914	6.9
67.05489	7.8
68.99799	5.4
69.03428	52.0
69.07055	6.3
69.52251	16.5
70.06601	3.8
71.04982	8.7
73.02904	10.4
79.05480	10.4
81.03408	57.3
81.07051	16.3
83.04972	7.8
85.02896	95.8
87.00821	41.6
88.74445	3.7
89.76235	3.5
91.03951	5.1
91.05447	16.8
93.07049	19.0
94.50750	4.2
95.04987	6.7
95.08596	13.6
95.37169	3.3
97.02879	31.9
99.04438	23.3
99.42678	3.3
105.01871	23.4
105.07027	43.0
107.08566	18.7
109.02873	68.2
109.10163	4.5
111.04417	9.7
117.01865	4.2
117.07039	8.8
119.08579	23.7
120.08103	3.8
123.04387	3.5
123.08041	5.9
127.03907	100.0
128.06146	8.5
129.01826	6.7
129.06987	12.9
130.86641	3.7
131.08525	18.3
133.10106	11.5
142.07787	11.6
143.08560	34.5
145.04926	22.9
145.10115	36.1
147.02943	5.3
147.11687	8.5
155.08571	13.1
156.09375	4.5
157.10121	35.7
159.02921	22.8
159.11691	25.5
161.13254	6.8
169.10095	11.7
171.11652	11.5
173.13281	8.2
183.11684	8.4
185.13240	7.0
187.14853	7.2
189.16325	8.6
195.11678	4.0
197.13243	16.2
199.14793	95.1
200.15175	3.7
201.16391	22.9
211.14790	6.2
213.03920	4.8
215.14301	6.0
217.15831	42.2
223.14671	3.6
227.14369	4.2
231.04967	14.0
243.08699	46.1
244.09544	28.2
259.16901	4.4
265.15900	4.0
269.96326	3.5
285.06296	4.3
303.04996	7.0
307.16962	4.9
325.18088	4.4
343.18979	4.8
357.36472	3.4
361.20325	4.3
378.15115	37.3
379.15878	12.7
447.20197	8.7
465.12634	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	15.3
55.01865	12.7
55.05506	4.9
57.03430	9.5
61.02927	9.3
65.03938	2.6
67.05493	7.9
68.99775	6.6
69.03425	59.7
69.07060	4.1
70.06578	2.2
70.50384	1.9
70.70802	3.6
71.04996	8.5
73.02911	12.7
79.05473	9.2
81.03411	66.6
81.07053	18.6
83.05005	2.2
85.02899	100.0
86.09693	2.8
87.00823	45.1
91.03951	3.7
91.05476	21.7
91.06008	3.1
93.07027	20.2
95.04944	5.0
95.08607	16.0
96.08957	1.8
97.02891	36.3
97.88720	1.5
99.04448	22.5
103.03957	3.1
103.05405	1.6
103.13485	1.6
105.01862	25.5
105.04466	1.7
105.07022	38.8
107.08584	24.3
109.02874	58.9
109.06493	1.6
109.10143	6.9
111.04539	2.3
111.08045	2.1
115.03922	3.2
115.05386	2.3
117.01840	7.1
117.07021	6.2
119.08567	18.3
119.94684	1.5
120.08113	3.9
121.02866	2.9
121.06515	2.1
121.10119	4.9
123.04412	1.7
123.08096	2.0
127.03908	90.2
128.06223	11.1
129.01851	6.5
129.07002	11.1
130.07817	2.1
131.08556	24.0
133.10123	7.3
133.63066	1.8
141.06975	6.8
142.07793	17.1
143.08548	42.9
144.09309	2.4
145.04951	27.5
145.10107	22.8
147.02856	4.8
147.11688	4.0
155.08563	7.9
156.09254	3.8
157.08858	2.5
157.10120	43.1
158.10757	2.2
159.02879	34.4
159.08060	2.1
159.11655	15.3
161.09663	2.1
167.08585	2.6
169.10120	7.4
171.11705	7.6
173.13153	2.4
181.10147	1.9
182.10855	2.3
183.11635	2.9
184.12384	2.8
187.14819	2.4
189.16386	10.7
195.11627	2.6
197.13275	6.6
199.14799	95.5
200.15152	3.8
201.16360	24.9
202.03656	1.8
209.13280	1.8
211.14827	5.0
213.03970	3.1
215.14275	6.2
217.15860	34.5
223.14842	2.7
224.44498	1.7
229.15942	2.5
231.04953	9.7
241.15770	4.0
245.65582	1.7
264.73773	1.7
287.98495	1.9
302.49344	1.7
303.04865	8.6
307.95093	1.8
368.15863	2.3
429.18948	2.7
447.20480	3.1
465.21182	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	465.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73740	9.1
55.01869	9.7
57.03452	13.0
57.49151	7.9
61.02919	22.2
69.03430	31.0
70.08553	17.1
70.08920	17.2
73.02917	28.3
74.18225	8.7
78.90660	8.3
79.05521	9.5
79.19573	8.3
81.03405	10.9
85.02904	100.0
89.12194	9.2
93.07030	14.6
97.02895	28.5
102.51097	8.2
107.08631	26.0
109.02882	9.9
109.10142	10.5
115.03933	24.2
124.76249	10.1
127.03932	35.8
128.91479	8.5
133.04965	43.4
135.11694	43.6
145.04950	46.1
152.28046	11.1
153.12712	33.8
163.05978	22.8
255.64555	9.5
297.17023	22.9
391.24963	8.7
478.29056	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	465.2482
Annotation	Xylopimarane
Peak:m/z	Relative Intensity
55.05486	0.2
65.67352	0.2
67.05489	0.4
69.07054	0.4
70.55214	0.3
71.04984	0.2
79.05502	0.3
81.07043	0.3
83.08589	0.2
85.02888	0.6
87.39157	0.2
91.05472	0.3
93.07015	0.8
95.08607	0.7
104.77453	0.2
105.07011	0.6
107.08574	0.5
109.10175	0.2
119.08606	0.9
121.06493	0.4
121.10128	1.5
133.10124	0.6
135.08043	2.2
135.11693	0.4
136.08830	0.4
137.05949	3.2
143.08551	0.3
145.06441	0.3
147.08008	0.2
147.11732	0.3
151.07562	0.5
157.10138	0.2
159.08044	0.5
161.09567	0.2
163.07542	1.9
164.08321	1.7
165.09157	0.4
168.38129	0.2
169.10091	0.3
173.09608	0.2
175.07526	0.4
177.09058	0.3
185.09645	0.3
187.07542	0.3
187.87506	0.2
189.09090	0.3
197.09723	0.2
199.11166	0.5
201.09073	0.4
202.09831	0.5
203.10634	0.6
203.60039	0.2
211.11145	0.2
215.10663	0.8
219.29553	0.2
227.10623	0.3
235.14693	0.2
242.12909	0.3
255.13777	0.4
257.15466	0.9
269.15335	0.6
270.16019	0.3
271.16907	0.3
285.18463	0.2
303.19498	100.0
304.19873	5.1
372.62265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2485
Annotation	Xylopimarane
Peak:m/z	Relative Intensity
54.01579	0.2
55.01875	0.2
55.05505	0.6
59.26262	0.2
67.05487	0.3
69.03416	0.3
69.07052	0.8
69.66027	0.8
79.05499	0.3
81.07044	0.6
85.02894	0.7
93.07074	0.3
96.09756	0.2
97.10165	0.5
98.23446	0.2
109.10147	0.5
119.08562	0.2
121.06504	0.6
131.08516	0.2
135.08063	0.5
137.05977	1.3
143.08540	0.2
145.06479	0.4
145.10126	0.2
147.08020	0.6
149.13264	0.3
151.07524	0.7
157.06497	0.3
157.10031	0.2
159.08041	0.8
161.05988	0.3
161.09666	0.3
163.07541	1.4
169.10042	0.2
170.10884	0.4
171.08162	0.2
173.09653	0.5
175.07578	0.7
175.11150	0.4
176.08302	0.6
177.09125	0.7
183.08134	0.2
185.09605	0.5
187.07529	5.5
187.11166	0.7
189.09055	1.6
190.09802	0.3
198.10339	0.4
199.11122	0.5
201.09158	0.4
202.09953	0.4
203.10657	13.3
204.11044	0.4
211.11229	0.3
215.10678	3.4
216.11440	0.8
229.12198	1.4
255.17372	0.3
257.15436	0.7
271.16910	0.5
272.17685	12.3
273.18399	2.1
285.18433	0.4
303.19519	100.0
304.19885	4.8
437.38528	0.2
465.24835	0.5
472.54462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17152	6.8
50.21917	5.5
56.96552	6.0
57.03425	28.7
68.21527	6.0
69.03426	81.6
70.28112	10.8
75.58864	6.7
80.15424	6.5
81.03376	10.0
85.02892	50.1
86.87251	6.2
87.04462	57.8
97.02879	52.2
98.97559	9.2
99.46053	6.1
109.02839	9.8
115.03914	86.7
116.98617	10.7
121.06534	7.3
127.03886	11.5
133.04944	100.0
134.46457	6.2
137.02322	40.5
137.05923	9.5
145.04951	7.4
150.07603	18.0
155.03351	66.0
162.43872	7.5
164.67137	6.6
183.33318	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	466.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	5.6
57.03425	16.7
59.04980	7.7
65.56505	5.4
69.03429	83.6
71.15957	6.5
85.02908	46.9
87.04464	52.5
88.84026	4.5
90.79057	5.8
91.53334	5.0
97.02344	7.2
97.02894	69.1
98.97530	5.2
115.03934	86.9
123.10984	5.2
133.04964	100.0
133.37016	4.9
137.02307	43.7
150.07603	14.1
155.03392	74.6
205.63533	4.6
240.14915	6.0
244.84560	5.7
273.87518	5.5
289.81042	5.8
353.90570	5.4
459.68665	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	466.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25954	1.8
52.44061	1.8
53.03946	8.0
55.01871	12.7
57.03440	3.8
61.02920	3.9
62.57422	2.0
69.03430	31.8
70.72630	3.7
71.04987	6.1
71.85555	1.8
73.02924	9.8
79.05521	2.1
81.03408	29.1
83.01346	2.1
83.55840	1.7
85.02901	100.0
87.00825	33.2
91.03966	2.8
97.02885	34.2
99.04440	16.3
103.03983	2.1
105.01853	35.0
108.04490	7.5
109.02877	31.1
109.10172	1.9
111.34087	1.9
117.01890	3.5
120.15624	2.0
126.05505	3.4
127.03907	78.3
129.01839	6.9
145.04951	37.7
147.02835	5.1
159.02888	23.7
177.04057	2.5
183.11664	4.0
189.03922	4.1
191.96468	2.5
201.09117	3.6
211.07639	1.9
213.03894	3.6
213.09138	2.2
225.09056	4.8
230.06560	2.4
231.04997	16.9
267.73672	1.9
309.11136	2.5
321.31772	1.9
330.25543	1.9
343.12836	2.0
406.17517	5.1
466.19659	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	466.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26942	0.6
53.03948	3.4
53.51182	0.5
55.01870	4.6
57.03424	2.5
60.92468	0.5
61.02921	3.8
65.63631	0.6
68.99779	1.8
69.03425	13.7
69.11254	1.7
69.11671	2.1
69.93024	0.5
71.04974	1.7
73.02918	2.9
75.19158	0.6
77.03915	0.7
81.03410	11.2
81.07080	0.8
84.79765	0.5
85.02898	41.9
87.00823	16.2
93.86987	0.5
94.21979	0.5
97.02260	0.7
97.02887	14.1
99.04457	6.7
103.03946	1.9
103.05466	1.1
105.01861	19.9
108.04471	3.1
109.02867	13.0
115.05449	2.4
116.06229	1.5
117.01843	1.2
126.05493	1.4
127.03904	28.5
128.06224	2.6
129.01842	1.7
129.06979	3.0
131.04898	1.3
132.05698	1.9
132.59354	0.5
139.30710	0.5
141.07002	1.2
142.07802	1.2
145.04951	13.9
145.06146	1.0
147.02861	1.8
152.06140	0.7
153.06961	7.7
154.07767	3.9
155.05978	0.6
155.08554	9.5
157.10078	0.6
159.02893	7.4
165.06979	8.4
168.05688	8.1
170.07277	0.8
171.02937	0.9
177.03899	0.5
181.06432	1.6
182.07251	3.4
183.08037	100.0
184.08401	4.1
188.69484	0.6
189.03903	3.8
193.07651	0.6
197.05998	0.6
197.09633	5.6
198.06732	1.0
207.08055	1.8
209.09601	1.9
211.07503	0.7
213.03870	1.3
221.09593	4.0
223.07497	1.8
225.09062	7.3
230.06445	0.8
231.04982	7.9
235.07561	0.8
235.11157	1.3
237.09023	4.0
248.07613	0.8
249.06169	1.4
249.09091	3.3
263.10672	2.7
266.08688	0.8
267.10132	1.7
273.09039	1.6
291.10141	7.6
309.11148	3.2
377.10080	0.6
391.01038	0.6
413.12091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25954	1.8
52.44061	1.8
53.03946	8.0
55.01871	12.7
57.03440	3.8
61.02920	3.9
62.57422	2.0
69.03430	31.8
70.72630	3.7
71.04987	6.1
71.85555	1.8
73.02924	9.8
79.05521	2.1
81.03408	29.1
83.01346	2.1
83.55840	1.7
85.02901	100.0
87.00825	33.2
91.03966	2.8
97.02885	34.2
99.04440	16.3
103.03983	2.1
105.01853	35.0
108.04490	7.5
109.02877	31.1
109.10172	1.9
111.34087	1.9
117.01890	3.5
120.15624	2.0
126.05505	3.4
127.03907	78.3
129.01839	6.9
145.04951	37.7
147.02835	5.1
159.02888	23.7
177.04057	2.5
183.11664	4.0
189.03922	4.1
191.96468	2.5
201.09117	3.6
211.07639	1.9
213.03894	3.6
213.09138	2.2
225.09056	4.8
230.06560	2.4
231.04997	16.9
267.73672	1.9
309.11136	2.5
321.31772	1.9
330.25543	1.9
343.12836	2.0
406.17517	5.1
466.19659	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	466.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	29.0
59.04992	4.5
61.02899	4.7
62.87886	2.5
66.35668	2.3
69.03419	74.7
69.66144	5.3
69.66531	5.3
73.02902	3.5
81.03442	7.1
85.02893	64.9
87.04461	50.9
88.65726	2.6
91.05476	20.3
93.52811	3.3
97.02879	61.1
105.07018	8.8
115.03922	73.7
119.04932	12.0
121.93866	2.8
123.04396	5.3
127.03890	4.6
133.04953	76.1
133.06490	6.8
137.02301	5.0
137.05956	100.0
143.04910	3.5
145.04951	6.9
149.05966	6.5
150.07567	6.1
151.07542	24.9
155.07004	17.3
157.63503	3.1
161.05971	7.6
165.05453	41.5
167.07027	4.8
167.97963	3.0
169.06461	2.9
173.05865	4.5
175.07562	7.3
177.05533	3.1
179.06998	41.5
187.07458	3.9
191.06953	5.4
195.06500	3.8
197.08073	7.0
203.07004	9.3
205.08652	7.9
221.08049	15.9
233.08043	37.9
251.09093	22.8
263.08997	4.4
277.09268	3.1
295.10406	3.6
307.32159	2.9
348.10495	2.9
467.19012	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	466.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
67.05492	0.9
77.03896	0.6
78.04687	1.7
79.05474	3.3
80.06243	1.0
81.03442	0.6
81.07048	0.9
90.04662	0.7
91.05463	4.9
93.07056	0.8
95.04949	0.8
98.22688	1.2
103.05448	6.7
105.04502	0.9
105.07015	2.7
105.08899	0.7
106.04171	1.2
107.04945	11.7
107.08569	0.7
108.05726	2.8
109.06515	0.8
115.05437	1.4
117.07004	2.0
119.04954	1.0
121.06490	2.6
123.04416	4.1
123.08032	1.0
124.05209	2.0
127.03874	0.7
131.04932	8.9
133.06474	1.4
135.04424	2.4
135.08025	2.1
136.05205	3.4
137.05960	4.0
144.05614	0.9
145.06471	2.1
145.09976	0.7
146.07246	4.4
147.07999	2.2
149.05963	1.3
149.09570	0.7
150.06750	2.2
151.07527	100.0
152.04691	1.5
152.07886	1.9
153.05450	1.2
157.06497	0.8
158.07233	1.4
159.08066	1.5
161.05994	1.7
161.09492	1.0
162.06744	1.4
163.07524	22.2
165.09090	10.1
167.07025	59.6
168.07382	1.4
173.09637	1.2
174.06741	1.3
175.07539	2.0
176.08339	1.2
177.09085	29.2
179.10651	1.3
181.08592	0.9
186.10483	0.7
187.07535	2.6
188.08278	1.7
189.09059	4.0
191.10619	2.5
193.08592	2.5
201.09090	4.2
201.16357	0.7
202.09915	1.5
203.10652	2.6
217.12257	3.5
219.10132	1.5
221.11775	1.0
233.11777	1.9
279.13785	0.8
307.13239	1.9
308.13971	1.2
339.15854	11.6
340.16495	0.9
356.16016	2.0
369.93463	0.7
371.18506	16.5
389.19528	7.2
466.19391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.05505	4.5
57.03438	4.0
61.02906	2.3
67.05495	20.6
69.03417	2.1
69.07059	7.6
71.04986	2.6
71.43568	1.1
73.02902	1.3
79.05492	10.1
81.03414	3.5
81.06565	1.3
81.07049	24.4
83.04965	2.1
83.08624	5.3
85.02896	4.5
85.06534	1.8
91.03949	1.2
91.05470	4.5
93.07029	19.0
95.04939	2.3
95.08597	8.0
97.06526	5.0
105.07009	2.3
107.08571	10.8
109.06528	2.1
109.10155	2.8
109.22796	0.9
111.08069	2.5
112.71366	0.9
117.07018	3.6
119.08602	2.1
121.10117	7.4
123.11736	1.0
127.03941	3.3
131.08597	3.6
133.10115	2.6
135.11690	3.8
147.11754	1.3
149.13240	15.7
150.61183	1.1
159.11697	7.6
161.13181	1.3
177.12744	3.8
195.13731	6.3
201.16399	1.7
258.62411	0.9
269.17450	100.0
270.17807	3.5
349.79919	1.1
466.16391	1.2
467.18994	1.5
472.87048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
53.14622	1.9
54.90140	2.1
55.01865	3.1
55.05517	5.4
57.03424	6.9
57.58715	1.9
61.02929	3.6
67.05502	9.9
67.05833	2.0
68.94324	2.7
69.03412	10.4
69.07066	7.7
70.77005	3.7
73.02910	12.5
79.05486	10.6
81.03418	4.2
81.07053	100.0
83.04958	4.3
83.08630	2.4
85.02901	18.1
91.05485	5.2
93.07030	12.3
95.08612	21.5
97.02891	9.8
99.04420	3.4
105.01873	3.2
105.07039	8.1
106.06560	4.7
107.08597	6.2
109.02875	3.8
109.10144	5.8
109.76341	2.1
111.04442	2.7
113.63222	2.1
115.03910	9.5
117.07032	3.2
117.94460	2.4
119.08611	2.9
121.10166	3.6
127.03906	7.7
131.08572	3.2
133.04921	3.4
133.10133	2.9
135.11691	5.9
137.13243	20.0
143.08511	3.2
145.04973	7.5
145.10089	6.8
149.13235	4.8
159.11662	7.4
188.50658	2.2
195.13651	2.8
201.16370	13.2
259.08035	2.6
269.17410	30.0
276.98404	2.3
295.10107	2.2
305.07190	2.2
344.38022	2.2
381.18964	2.8
423.19949	15.6
449.21811	2.3
467.18625	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97992	0.5
53.03938	1.2
54.00486	0.5
55.01874	2.7
57.03430	5.7
57.07069	0.8
59.05000	0.7
61.02943	2.4
64.78947	0.5
67.05501	2.4
69.03423	9.0
69.07064	1.0
70.95872	0.5
71.01348	1.0
71.04967	0.6
73.02911	7.7
79.05481	3.7
81.03407	1.4
81.07048	85.5
82.07384	1.2
85.02897	26.2
87.04456	1.2
91.03931	0.9
93.07045	0.6
95.08599	7.1
97.02885	11.2
98.23521	1.0
99.04432	1.0
103.03960	1.1
109.02879	2.4
111.04418	0.5
115.03910	4.2
121.02828	0.6
127.03927	5.2
132.06589	0.8
133.04959	7.7
137.13239	100.0
138.13588	2.8
145.04936	10.8
150.07626	1.7
163.05989	6.2
181.04924	0.8
217.07205	0.6
223.05884	1.1
224.43188	0.6
226.56021	0.5
241.07079	1.1
259.08032	1.5
266.04727	0.8
295.09982	0.7
305.92398	0.5
317.19351	1.5
378.13635	0.7
448.18216	0.7
462.53217	0.6
466.27133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.0
55.05504	4.8
57.03427	13.3
61.02926	7.0
67.05505	5.4
67.62962	2.8
69.03424	26.1
69.07089	14.3
70.31983	6.8
71.85428	2.7
72.05356	3.0
73.02912	21.3
78.20583	2.8
80.47975	3.2
81.03433	5.4
81.07050	45.7
85.02905	58.1
87.04462	6.1
93.07055	3.7
95.08609	35.9
97.02895	37.2
97.61778	3.1
99.04475	3.5
100.11270	5.7
107.08594	3.3
109.02856	4.7
109.10158	24.0
111.11724	21.8
114.09148	4.2
115.03908	17.8
127.03934	14.7
133.04956	24.4
137.13245	96.0
145.04974	18.7
150.07608	4.5
155.14307	100.0
163.06018	6.1
175.01532	3.2
197.04182	3.5
279.42615	2.9
286.82358	2.8
318.58249	3.0
406.90491	2.9
466.19522	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	25.6
65.88746	8.9
67.05491	20.9
68.68851	9.6
79.05473	25.2
81.07042	34.6
83.04977	62.1
85.06541	11.7
91.05460	43.2
93.07067	43.7
95.04936	24.1
95.08584	26.7
101.06064	9.0
105.07030	91.5
107.08585	29.3
109.06501	21.5
109.10118	9.7
112.39227	9.8
117.06998	22.5
119.08565	53.2
121.06499	20.0
128.06178	11.5
129.06970	17.5
130.07735	7.7
131.08568	45.8
133.10118	31.4
135.08070	9.2
135.11662	10.7
142.07813	9.9
143.08540	30.4
145.10114	100.0
147.07970	13.0
147.11661	15.3
153.33952	9.8
157.10120	19.4
159.11703	33.1
161.13182	15.2
163.11162	16.4
173.09581	16.9
179.10667	31.5
180.57147	9.1
183.89542	8.1
185.13219	16.2
191.10732	48.2
193.05154	12.8
199.14819	19.6
201.11046	16.1
203.14278	21.8
217.15843	12.0
231.13739	35.5
249.14847	38.2
335.94864	10.7
412.56644	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	466.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01882	0.8
55.05500	7.7
56.14997	1.1
57.03436	1.2
57.07068	2.9
59.05001	1.1
65.55018	0.9
67.05497	11.5
69.07065	8.4
70.69591	1.7
70.69920	1.3
71.04989	2.9
77.03908	2.0
78.55007	0.9
79.05475	9.8
81.07049	24.2
83.04967	16.1
83.08587	2.0
85.06546	3.2
91.05472	18.9
93.07034	34.1
95.04958	4.5
95.08598	22.5
97.06544	5.6
97.10171	1.5
102.21419	1.0
105.07018	43.3
107.04963	1.2
107.08583	24.0
108.08099	2.8
109.06518	6.9
109.10155	7.8
111.08046	1.4
115.05403	1.2
117.07029	10.8
119.06093	1.0
119.08570	35.9
119.09427	2.0
121.06499	6.8
121.10134	16.9
123.08038	3.5
123.11687	1.6
129.06995	4.9
130.07724	1.5
131.08556	18.9
133.10120	28.0
135.08043	2.9
135.11703	7.1
137.09587	1.2
142.07788	7.0
143.08531	7.3
144.09341	9.7
145.10126	7.8
147.08011	1.3
147.11664	19.1
149.09621	2.4
149.13232	18.3
152.77130	0.9
156.09291	1.4
157.10118	15.7
158.10699	1.2
159.11676	100.0
160.12016	2.5
161.09598	2.2
161.13246	22.7
171.11671	3.8
173.13278	7.3
175.11180	2.4
175.14847	3.0
177.12732	44.4
178.13231	1.2
179.14256	1.2
183.10146	2.7
189.12692	1.2
189.16347	16.3
199.14781	14.6
205.15855	1.8
217.15858	27.0
235.16924	7.1
248.20004	3.4
266.21146	6.9
313.27246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.1
67.05497	13.7
69.07081	7.9
69.88746	7.4
69.89075	15.8
71.04983	8.2
79.05493	22.0
81.07047	40.8
83.04961	32.2
91.05489	28.3
93.07043	32.8
95.04967	14.7
95.08607	33.2
105.07021	100.0
107.08595	28.2
109.06521	22.0
109.10181	13.1
115.97015	6.1
115.97849	7.5
117.06979	18.5
119.08575	64.3
121.06481	14.4
121.10150	16.1
123.08052	8.2
128.06233	9.0
129.06990	10.7
129.35806	7.9
131.08548	29.1
133.10143	41.7
137.09613	7.3
142.07793	16.7
143.08560	27.8
144.09398	7.6
145.10150	55.0
147.11684	16.0
149.02370	10.3
149.13255	8.2
157.10132	49.8
159.11679	64.5
161.13268	25.5
163.11156	9.1
173.09618	10.2
173.13266	13.2
175.14771	11.7
179.10553	16.4
189.16405	19.0
191.10724	17.6
197.21490	6.8
199.14769	37.2
203.14560	10.1
213.12791	8.4
217.15906	28.0
243.73337	6.7
249.14772	7.8
261.19766	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	466.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07069	3.9
55.05501	14.7
67.05496	7.8
69.80401	15.2
70.51097	4.5
73.23288	3.9
81.07041	16.1
83.04973	21.3
91.05489	8.9
93.07050	7.6
95.08593	27.0
101.05989	6.1
105.07011	45.7
107.08579	16.8
109.10177	21.0
119.08559	30.8
121.10096	10.5
133.10100	21.7
147.11664	81.5
161.13255	15.6
163.14897	6.7
203.17926	100.0
203.19865	6.5
204.63182	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	467.1181
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01879	1.0
57.56684	1.0
61.02925	1.2
69.03434	1.5
70.06569	1.7
70.35804	1.8
81.03402	4.3
85.02889	4.9
97.02921	1.8
109.02845	1.5
117.03366	1.1
127.03944	2.3
135.04459	0.9
137.02333	100.0
138.02658	2.2
139.03897	3.8
145.04857	1.1
151.03807	2.1
163.03867	3.1
177.01801	1.1
177.05424	1.2
179.03398	6.2
203.03368	1.9
245.70741	0.9
251.83057	0.9
287.05438	2.6
305.06522	13.9
311.05515	1.4
329.06470	4.0
353.06430	1.8
413.08487	1.1
431.09656	1.4
467.11560	3.8
467.18457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96260	1.4
74.90390	1.8
81.03440	1.8
82.99837	1.9
90.03047	1.3
90.08911	1.4
94.99818	2.9
101.00870	16.3
111.23606	1.3
113.00869	8.4
115.02410	2.7
119.01920	31.5
123.37063	1.2
127.02428	4.3
131.01892	22.0
133.03450	5.3
137.02954	2.9
138.93819	1.7
139.02412	2.1
143.01891	31.6
145.03442	22.8
147.01378	2.9
149.02904	2.9
155.01881	74.6
155.78365	1.5
156.02092	2.4
157.03436	15.1
161.02942	36.5
163.04503	3.2
167.01918	5.2
169.03468	14.1
171.01378	2.6
171.05000	3.0
173.02956	100.0
174.03128	4.3
175.04520	4.5
179.01909	2.1
181.03496	2.4
183.04997	2.1
185.02954	36.9
186.03166	2.8
187.02065	1.5
187.04495	13.4
189.02577	1.6
196.04576	1.8
197.02924	14.9
199.04556	4.5
203.03984	25.5
207.02670	1.6
209.02986	2.3
211.04539	3.6
215.04002	16.3
221.05060	3.3
223.04512	2.4
227.04059	8.0
229.05490	1.8
235.00008	1.4
239.03993	4.4
245.05066	46.0
246.05286	3.0
252.35190	1.6
257.05060	16.4
262.05234	1.9
263.06137	13.8
269.05078	2.2
275.06046	7.4
275.68362	1.5
277.01056	2.8
282.99930	5.2
287.05972	9.6
293.07190	5.5
299.06216	2.1
301.01105	9.1
305.07169	20.0
317.07254	4.0
323.08084	4.5
329.07245	2.1
347.08212	75.9
348.08383	4.7
365.09277	39.2
366.09473	2.5
407.10309	70.0
408.10446	4.3
425.01086	3.0
443.02115	7.0
444.02274	1.8
467.10410	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	467.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39288	0.8
72.39991	0.9
77.00893	1.1
80.16319	0.9
81.03441	1.0
82.99868	1.8
94.99851	1.7
101.00874	14.0
102.00910	0.9
109.02847	0.9
113.00851	5.1
115.02380	2.1
119.01912	28.9
119.02767	1.4
127.02425	2.4
129.00386	0.8
131.01894	19.2
133.03490	3.8
137.02971	3.5
139.02420	2.3
143.01889	24.6
144.02037	1.0
145.03452	19.0
147.01357	3.3
149.02959	3.3
150.52415	0.8
155.01874	64.5
156.02034	1.8
157.03445	13.7
161.01608	1.9
161.02950	37.6
162.03162	1.6
163.04504	2.2
167.01895	5.7
169.03467	10.5
171.01448	1.2
171.05017	1.5
173.02945	100.0
174.03070	4.4
175.04570	4.6
179.01807	1.4
181.03476	1.4
183.05121	1.3
184.04546	1.0
185.02956	31.8
187.04532	13.5
191.01874	0.9
191.03976	1.0
195.05057	1.0
197.02927	15.1
198.03107	0.9
199.04562	4.5
201.06090	1.2
203.03996	22.1
209.02962	2.7
211.04483	4.1
213.06104	0.9
215.03973	12.6
216.04149	0.9
217.05522	1.0
221.02946	1.0
221.05040	2.2
222.97690	0.9
227.03944	8.6
229.05583	2.4
234.99965	1.7
239.04073	2.4
245.05049	41.4
246.05205	2.0
257.05066	14.8
258.05350	1.4
258.99976	6.1
260.00180	1.1
262.05386	0.9
263.06110	9.0
264.98761	1.3
269.05054	1.4
275.06046	6.4
276.06296	0.8
277.01102	6.1
282.99960	13.9
284.00095	2.5
287.06085	8.2
293.07013	4.9
301.01013	22.0
302.01184	3.5
305.07144	21.1
306.07309	1.7
312.92267	1.0
317.07117	3.0
319.02075	1.6
323.08215	3.3
329.07187	2.2
335.08282	1.3
347.08197	68.6
348.08316	4.1
365.09286	37.8
366.09476	1.6
401.00867	1.2
407.10306	63.8
408.10498	6.2
425.01260	8.5
426.01169	1.9
442.96439	1.4
443.02194	19.2
444.02206	4.5
467.10425	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67323	0.5
56.83544	0.5
69.03368	0.8
69.46778	2.6
70.76553	0.5
73.26495	0.5
96.08082	0.9
98.09701	0.6
98.22624	0.7
107.04873	0.6
113.63561	0.6
117.03330	1.0
135.04352	2.0
145.02823	0.8
163.03867	6.3
203.05180	1.3
210.14716	0.7
213.06506	1.6
231.07529	1.7
259.07062	1.4
265.61276	0.6
277.08047	1.0
305.07672	1.1
354.23959	0.5
406.71841	0.7
467.14926	100.0
467.32370	1.8
468.15329	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	467.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73283	0.5
67.05470	0.5
71.44039	0.6
79.05479	0.6
81.03401	0.9
81.07937	0.4
85.02894	0.8
89.03909	0.5
97.02892	0.6
117.03382	1.0
121.06370	0.4
127.03887	0.6
135.04376	0.9
136.07568	1.8
145.02832	0.7
159.11661	0.5
160.57878	0.5
163.03894	4.7
164.07018	1.4
185.07069	0.5
190.20622	0.5
190.22276	0.5
201.16292	0.9
210.14833	0.6
213.06534	1.1
305.07568	2.2
341.08401	3.3
423.16220	0.9
467.15106	100.0
468.15344	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	467.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70794	0.3
53.36295	0.3
59.35865	0.3
71.41350	0.5
85.02921	0.6
85.40961	0.3
91.05519	0.4
109.02792	0.3
117.03372	0.3
119.04982	0.4
129.01614	0.4
135.04414	0.4
137.02161	0.3
147.04417	0.6
163.03902	0.8
177.05595	1.0
232.48528	0.4
288.15973	0.6
361.08920	0.7
451.61664	0.5
467.15378	100.0
468.15775	5.6
468.21783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	17.8
55.01864	12.8
55.05498	16.1
57.03424	15.3
57.07081	4.5
61.02914	10.4
65.03911	4.9
67.05488	22.9
68.99768	5.7
69.03422	41.6
69.07065	16.9
69.95956	10.8
71.04977	8.1
73.02928	9.0
79.05489	16.7
81.03413	48.7
81.07052	42.6
83.04959	10.2
83.08615	5.5
85.02894	60.8
87.00834	34.1
87.04426	4.6
91.05463	24.7
93.07034	40.7
93.28264	3.8
95.04967	13.4
95.08606	42.6
97.02898	30.1
97.06521	10.7
98.22783	5.9
99.04457	27.7
103.03913	5.7
105.01853	13.7
105.07027	73.1
107.04958	4.5
107.08585	45.8
109.02869	37.6
109.06499	12.3
109.10155	28.2
111.04415	11.1
115.03950	10.5
115.05414	4.2
117.01865	5.8
117.07005	25.5
119.08568	60.8
121.06499	19.2
121.10158	20.5
123.04446	10.8
123.11707	9.7
127.03899	48.5
128.06204	7.0
129.01869	9.6
129.06972	11.8
131.08559	39.1
133.10130	37.0
135.08070	7.5
135.11699	10.0
137.05946	4.4
139.53987	4.4
141.07050	6.1
142.07774	11.8
143.08533	28.6
144.09267	7.8
145.04918	9.5
145.10104	100.0
147.11684	58.5
149.09538	5.6
149.13252	5.9
151.03900	29.1
151.07553	7.7
155.08507	7.7
157.10132	38.7
158.45821	3.9
159.02917	20.4
159.08044	6.0
159.11679	73.8
161.13226	14.6
169.08743	4.9
169.10094	19.3
171.11691	20.2
173.13254	25.0
175.11148	15.6
175.14853	27.3
177.16325	8.7
181.10046	8.4
183.11710	10.8
185.13245	33.1
186.13698	6.6
187.11044	4.2
187.14738	22.6
189.03918	5.6
189.16270	7.0
191.17973	9.2
193.12164	6.1
195.11609	4.9
195.14888	4.2
197.13280	11.0
199.11172	5.6
199.14825	16.6
201.12723	6.1
201.16365	91.8
203.14323	19.0
203.17908	18.2
208.12384	4.9
209.13260	4.5
211.14786	25.2
213.16325	18.5
215.14357	5.7
217.12256	9.1
217.15834	5.9
219.17426	13.6
221.13205	7.6
223.14676	7.2
225.16318	8.0
229.15796	9.7
231.17374	4.5
235.13156	6.4
237.16266	7.5
241.16046	5.8
243.17462	6.5
253.14368	10.9
255.17426	6.0
285.18524	5.7
291.17328	10.9
305.05652	4.4
305.32568	4.4
309.18509	12.2
327.19577	5.5
363.21442	10.8
381.22681	11.7
431.20474	7.7
439.22913	6.5
449.21500	33.2
467.15118	17.8
467.22586	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.8
55.01862	7.4
55.05508	7.6
57.03430	6.7
57.43289	1.9
59.48768	1.9
61.02930	6.1
65.03941	3.4
67.05486	11.6
68.99789	7.3
69.03426	32.7
69.07063	9.7
69.25514	4.4
69.25919	7.1
71.04990	7.2
73.02914	7.7
73.43350	2.4
79.05485	8.2
81.03409	37.3
81.07049	21.7
83.08602	3.0
85.02898	57.9
87.00816	31.8
91.03912	2.1
91.05478	14.8
93.07037	19.6
95.04961	3.9
95.08597	38.8
97.02883	32.3
99.04459	16.1
103.51348	2.2
105.01854	16.0
105.07022	44.9
106.07425	2.0
107.04971	1.9
107.08589	29.9
109.02872	27.3
109.10151	14.4
113.02343	2.2
114.42057	2.0
115.03944	4.2
117.01874	4.8
117.06973	11.6
119.08573	34.1
121.10127	13.0
123.04536	2.1
123.08015	2.1
123.11679	3.5
127.03904	37.3
129.01836	5.2
129.07028	4.9
130.07840	4.1
131.08557	27.6
131.09456	2.8
133.10129	19.4
135.11678	4.1
142.07770	8.1
143.08539	10.9
144.09300	3.2
145.04948	16.7
145.10110	82.9
146.10832	2.8
147.02905	2.6
147.11671	53.1
155.08505	3.1
157.10120	20.5
159.02928	16.9
159.11702	43.4
161.13248	12.6
169.10056	4.1
171.11713	6.2
173.13280	12.6
175.11136	2.7
175.14853	9.4
177.16434	2.5
183.11673	3.5
185.13268	6.3
187.14825	4.2
189.16289	4.4
191.17938	4.5
199.14836	7.9
201.16359	100.0
202.16798	2.9
203.17937	17.8
211.14769	4.2
213.16371	4.4
215.18025	2.1
217.15738	5.0
219.17416	23.9
231.04977	3.7
231.17426	2.1
237.16508	2.4
243.17500	4.2
267.17493	2.3
291.17435	4.0
309.18549	4.9
327.19525	3.5
431.20599	5.0
449.21628	12.3
467.22659	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	467.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01875	7.5
55.05497	4.7
57.03431	4.2
57.60327	1.4
61.02911	4.2
67.05508	9.8
68.99769	3.0
69.03423	22.5
69.07057	6.9
71.04992	1.9
73.02904	4.5
77.03882	1.3
79.05486	5.3
81.03408	20.7
81.07054	13.6
85.02899	40.1
87.00829	17.4
91.05472	10.3
93.07039	12.7
95.04966	2.6
95.08604	21.7
97.02901	17.3
97.06539	1.9
99.04459	8.2
103.03902	2.0
105.01875	10.6
105.07023	27.8
107.08588	25.9
109.02869	17.1
109.06531	2.0
109.10162	10.4
115.03951	1.9
117.01829	2.8
117.07002	9.0
119.08569	24.3
121.10140	13.3
123.08057	2.2
123.11715	2.9
127.03911	30.7
128.06171	2.1
129.01817	3.2
129.07027	3.6
130.07806	2.8
131.08569	27.7
133.10118	19.0
135.11732	2.7
141.06998	1.7
142.07828	3.1
143.08548	7.4
144.09285	3.4
145.04967	9.0
145.10114	86.5
146.10641	2.5
147.02892	3.0
147.11676	26.7
157.10156	12.0
158.10889	2.8
159.02890	9.7
159.11688	37.5
161.09697	2.2
161.13255	6.2
169.10106	2.6
171.08022	2.3
171.11700	5.1
173.13316	10.0
175.14781	7.2
182.10881	1.6
183.11713	2.6
185.13139	2.2
187.14810	5.1
189.16394	1.9
197.13333	2.0
199.14836	7.1
201.16376	100.0
202.16737	2.7
203.10638	3.8
203.14378	1.7
203.17972	15.7
205.15770	1.8
211.14796	3.0
213.03706	1.9
213.16310	2.8
217.15834	3.4
219.09982	1.9
219.17448	22.0
223.14886	2.2
229.15918	2.3
231.05003	5.0
231.17157	1.8
282.01602	1.6
309.18469	3.1
327.19260	2.1
345.20462	1.7
403.29898	2.0
431.20779	2.0
449.21387	4.7
467.32092	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	467.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36742	2.2
53.03931	9.0
54.76202	2.4
55.01854	7.3
55.05497	6.6
57.03414	8.2
57.07043	3.2
61.02912	6.6
67.05505	12.7
68.99772	7.5
69.03423	31.3
69.07049	8.9
69.63388	8.1
71.04988	4.7
73.02893	8.2
79.05484	10.9
81.03414	38.2
81.07047	21.6
83.04970	7.5
83.08602	4.8
85.02896	57.1
87.00813	29.2
91.05460	16.9
93.07026	22.2
95.04978	5.2
95.08105	3.0
95.08601	33.0
97.02883	27.8
99.04432	11.3
100.11253	3.6
103.03889	3.0
105.01839	13.4
105.07024	44.8
105.20116	2.5
107.04929	2.9
107.08579	29.2
109.02871	24.4
109.06600	2.8
109.10128	13.5
111.04440	3.5
114.09106	4.4
115.03876	3.5
117.01832	5.8
117.06998	16.9
119.08556	28.8
121.06503	4.2
121.10114	13.4
122.03277	2.4
123.04420	2.8
123.11727	3.7
127.03896	40.6
128.06178	3.7
129.01834	5.4
129.06952	5.9
130.07806	4.1
131.08560	32.8
133.10091	17.6
135.08069	3.4
135.11606	2.8
142.07715	3.9
143.08536	10.9
144.09300	4.5
145.04926	14.8
145.10110	81.9
146.10454	4.5
147.02872	5.1
147.11664	48.7
155.08514	3.4
157.10123	23.2
159.02872	16.3
159.11690	50.0
160.12123	3.4
161.13220	7.2
167.14372	3.3
169.10097	5.3
171.11578	4.9
173.13240	18.7
175.14803	10.5
177.16360	4.6
182.10780	2.9
182.15443	4.8
183.11682	5.5
185.13206	9.3
187.14735	9.5
195.11789	4.2
197.68930	2.7
199.14825	9.7
201.16356	100.0
203.06656	2.8
203.14166	3.0
203.17899	14.2
205.15868	3.9
210.14908	5.7
211.14809	6.0
213.16357	7.0
214.13091	3.0
217.15852	7.3
219.17503	16.0
223.14677	4.0
229.15826	6.4
231.05000	4.5
231.17488	3.4
243.17311	5.1
244.49200	2.4
281.18930	2.8
309.18399	4.7
371.81125	3.2
371.93997	2.3
381.22763	3.3
413.19540	2.7
431.20425	3.6
449.21530	13.8
467.22702	3.9
467.36093	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	467.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46799	3.2
53.03944	8.6
55.01860	17.9
55.05508	25.6
57.03449	4.5
57.07077	6.7
61.02926	7.4
67.05492	17.5
68.99787	6.9
69.03423	46.2
69.07065	18.1
69.24570	17.2
71.04980	4.9
73.02914	5.3
79.05491	12.9
81.03415	55.6
81.07037	18.6
82.06592	5.5
83.04978	10.3
83.08611	24.1
84.04501	5.4
85.02904	100.0
85.06538	4.0
87.00825	36.2
91.05499	20.3
93.07056	17.0
95.04981	5.9
95.08605	26.6
97.02879	34.8
97.10156	9.2
97.76791	3.6
98.09679	3.9
99.04425	20.2
100.11256	65.1
105.01843	29.3
105.07025	45.9
107.08591	24.8
109.02888	43.9
109.10158	19.6
111.04459	7.3
111.08099	3.4
115.03889	4.8
117.01875	4.7
117.07020	15.1
119.08583	34.1
121.10145	11.3
123.11738	5.0
126.09185	3.5
127.03907	69.0
128.07045	7.2
129.01825	7.0
129.06999	5.8
131.08565	18.7
133.10098	26.9
135.11674	12.3
143.08562	12.4
145.04965	18.8
145.10117	54.3
147.02867	5.0
147.11699	15.0
154.12244	17.8
156.09390	4.1
156.13829	7.2
157.10124	19.2
159.02933	27.5
159.11705	38.3
161.13260	35.1
163.09509	3.8
163.11115	6.0
171.11719	8.0
171.14914	5.0
173.13286	9.1
182.15416	25.4
184.13461	5.0
185.13416	4.8
191.17996	4.7
199.14807	9.7
201.16379	68.0
203.17920	40.2
209.16505	6.5
210.14871	25.3
211.14992	5.1
213.04039	4.2
213.16310	6.6
217.15852	8.0
219.17415	23.9
227.17661	7.2
231.04984	9.0
243.17372	5.6
309.18521	6.8
407.85553	3.6
411.09677	6.9
449.21667	9.2
467.19910	16.9
467.36066	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	467.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35949	1.7
53.03943	15.6
54.21797	1.7
55.01866	19.4
55.05510	8.7
57.03434	12.1
57.07050	2.0
61.02918	10.3
67.05503	12.6
68.99782	6.1
69.03060	3.7
69.03426	60.4
69.03799	3.1
69.07067	7.5
70.03675	1.6
71.01332	2.4
71.05002	8.5
71.41074	1.8
73.02911	14.0
75.35287	1.6
79.05482	10.2
81.03413	75.4
81.03898	3.9
81.06565	2.1
81.07050	41.6
83.04974	2.7
83.08601	2.8
85.02901	100.0
87.00824	44.9
87.04473	2.7
88.32203	1.8
91.03960	3.0
91.05473	20.5
93.07043	26.6
95.04971	4.8
95.08601	38.4
97.02889	34.9
97.06504	3.2
99.04437	23.0
99.65318	1.9
101.02390	2.3
103.03951	3.8
103.05434	2.4
105.01859	27.3
105.07020	49.5
107.08587	28.0
109.02879	54.8
109.03629	2.7
109.06535	2.8
109.10161	17.7
113.55386	1.8
115.03928	6.6
115.05412	1.8
117.01826	9.9
117.07012	12.8
119.08567	39.9
121.06506	2.1
121.10136	13.2
123.08055	4.8
123.11717	7.7
127.03910	74.9
129.01862	7.3
129.07005	6.1
130.07788	3.9
131.08563	25.3
133.10107	20.4
135.11739	3.4
139.11194	1.9
141.06918	2.6
142.07768	6.1
143.08560	16.9
144.09317	6.8
145.04945	25.1
145.10114	62.1
147.02864	5.8
147.11682	17.8
155.08549	4.1
156.09389	3.1
157.10135	18.2
158.10948	2.5
159.02888	36.3
159.08052	2.4
159.11681	53.7
161.09616	2.3
161.13231	30.6
165.16847	1.8
167.08524	2.7
169.10109	5.7
171.11656	10.5
172.12442	2.2
173.13254	14.5
175.14796	4.7
181.10159	3.7
183.11671	4.8
185.13277	3.9
187.14824	4.9
189.16386	2.4
193.10136	2.7
195.11679	3.4
197.13281	3.3
199.14796	11.1
201.03928	2.1
201.16370	99.6
202.16747	3.9
203.14302	2.1
203.17940	37.6
205.08629	1.9
207.11794	2.2
211.14806	3.2
213.03879	2.5
213.16345	8.3
217.15843	17.5
219.05080	1.9
219.17432	29.2
221.13460	1.9
225.16310	4.2
229.15805	2.6
231.04889	8.5
231.17514	9.6
241.15916	2.5
243.17403	4.9
248.59331	1.9
259.32333	1.7
261.18445	3.5
273.18521	1.8
309.18433	4.0
327.19342	4.2
407.27408	2.1
413.19742	3.3
414.40222	2.1
431.20593	3.6
449.21823	10.8
467.12860	2.4
467.22971	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	468.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01867	0.3
60.40564	0.3
63.02364	0.7
67.05487	0.3
68.99739	0.3
69.03414	0.9
69.57738	1.2
71.04987	0.6
78.03452	0.2
79.05465	1.1
80.05020	0.3
81.03413	4.0
83.04966	0.5
85.02908	1.3
89.03910	8.0
89.05994	0.4
90.03437	0.8
90.04202	0.2
91.05455	0.4
95.08552	0.3
97.02895	0.5
98.23410	0.3
98.99968	0.3
99.04449	1.8
105.07012	0.8
107.04953	2.6
107.08504	0.3
107.37705	0.3
109.02907	1.5
117.03380	8.4
118.03677	0.3
119.08597	0.6
126.01064	4.4
126.05484	1.6
127.03890	2.7
135.04407	17.7
137.05940	3.0
144.02103	22.8
145.02847	12.7
145.03934	0.4
145.10081	0.4
146.03223	0.4
151.07536	0.3
159.11649	0.3
161.05934	1.0
163.03893	100.0
164.04250	3.1
177.09091	0.5
181.04932	0.8
194.07327	0.3
222.06706	0.3
233.09531	0.4
261.09073	0.3
265.08588	0.6
265.12183	0.3
281.07913	0.3
293.11774	0.6
297.11179	1.0
306.07199	0.6
307.08093	4.2
313.14349	0.4
315.12201	0.3
325.05911	0.3
325.09009	1.7
325.14325	0.9
343.15298	0.8
404.14755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.7
69.03426	2.0
69.41423	3.1
69.41827	2.0
81.03405	4.9
84.64509	1.2
85.02895	2.9
93.03426	1.4
97.02872	3.2
99.04462	2.4
108.02084	1.3
109.02871	2.9
111.04431	3.1
120.08126	4.1
121.02930	1.2
125.06015	2.0
127.03883	2.8
130.25572	1.2
137.06003	4.1
139.03909	1.2
141.05505	1.8
151.03902	100.0
151.04965	5.8
152.04179	2.6
161.06052	1.5
169.04951	12.4
253.27689	1.2
295.08112	6.2
313.09113	10.6
346.60736	1.2
401.77750	1.1
404.03284	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95037	4.8
52.25303	5.0
54.61937	4.7
54.88171	4.4
57.72544	5.4
67.05514	6.4
69.07077	5.2
79.05493	13.7
81.07055	25.4
83.04984	10.7
83.08606	5.7
85.02879	7.8
90.25465	5.0
91.05470	7.4
93.07045	25.3
95.04971	11.3
95.08601	27.7
97.06521	16.9
99.04456	10.9
100.09319	5.5
105.07028	13.3
107.08572	19.0
109.06527	18.4
111.08099	9.5
119.08604	12.1
121.06508	35.6
125.06041	10.3
127.03934	8.3
133.10133	11.4
139.07475	6.8
140.10226	5.2
147.11699	31.3
151.03896	9.7
157.08667	10.8
157.10048	8.0
159.06458	11.1
164.89775	5.6
169.12265	10.0
171.11670	9.5
175.11264	17.2
189.12700	12.6
191.63411	5.3
193.12231	18.4
199.11134	15.0
207.13716	7.0
211.13220	16.8
213.27533	6.1
217.12239	40.8
229.14377	8.3
235.13290	82.1
253.14334	100.0
271.15378	14.8
289.16339	10.5
337.31171	6.5
468.15701	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04464	3.4
55.05510	16.7
56.38234	3.8
57.10863	4.4
57.43705	4.1
67.05505	11.9
69.07051	6.6
69.86608	13.8
71.04994	6.3
75.62416	3.4
79.05499	17.5
81.07051	24.6
83.04990	21.3
83.08600	4.5
85.06545	6.3
87.62007	4.1
91.05479	31.8
93.07045	28.3
95.04958	58.6
95.08619	22.7
97.06539	6.9
105.07021	100.0
107.08580	33.0
109.06527	17.8
109.10145	14.3
117.07015	15.9
119.08575	51.9
121.06506	13.6
121.10149	18.0
123.08066	8.3
125.06038	7.3
129.07013	6.0
130.07741	4.8
131.08556	32.1
133.10124	26.5
135.08075	10.3
135.11688	4.8
137.09572	6.3
142.07805	19.4
143.08577	10.8
145.10104	41.7
147.08009	6.3
147.11678	59.6
149.09621	6.7
157.10115	46.4
159.08044	7.7
159.11664	33.7
161.09607	20.8
161.13133	5.1
163.11232	4.3
169.72638	5.4
171.11693	8.6
173.13272	7.0
175.09698	5.5
175.11177	80.0
177.16486	4.6
183.10144	4.7
187.14841	29.2
189.12747	52.5
193.12131	30.2
197.13263	13.7
205.15891	6.8
215.14293	40.5
233.15373	40.3
294.93741	4.1
369.20801	4.2
468.32275	4.9
475.31985	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	468.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57978	3.9
53.83099	3.7
55.05506	16.5
57.20179	4.3
67.05492	22.7
68.56456	3.9
69.07069	7.4
69.76079	4.6
69.84126	13.5
71.05000	7.6
79.05479	30.0
81.07050	37.8
81.39021	3.9
83.04986	27.8
84.05273	3.7
85.06553	5.2
88.29193	4.0
91.05472	74.0
93.07039	40.6
95.04967	19.1
95.08603	23.1
97.06544	7.4
101.06033	10.0
105.07021	100.0
107.04931	5.9
107.08585	31.2
109.06528	9.5
109.10157	7.7
115.05476	10.9
117.06992	48.5
119.08580	63.2
121.06534	8.9
121.10133	14.8
123.08029	5.5
128.06216	8.2
129.06989	35.2
130.07761	6.8
131.08563	80.5
133.06485	8.1
133.10110	42.7
135.08064	12.2
135.11673	9.2
137.06004	9.3
141.07030	6.0
142.07770	37.3
143.08563	16.3
145.10110	76.1
147.11668	60.7
155.08517	15.5
157.10107	62.5
159.08078	7.7
159.11713	37.9
161.09634	13.0
161.13280	9.4
163.11172	11.4
163.14798	5.3
169.10193	7.7
171.11662	5.6
173.09613	8.5
173.13293	9.8
175.11169	82.8
177.12700	8.9
183.10106	4.9
185.13243	7.8
187.14755	24.2
191.14296	11.2
193.12263	24.3
197.13245	23.2
203.14339	18.6
205.15765	7.8
215.14291	41.1
233.15390	28.2
460.89487	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	468.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	2.5
55.05512	19.6
67.05486	14.6
69.03442	5.9
69.07062	5.6
69.16383	17.6
71.01350	3.8
71.04966	5.7
73.02927	5.1
79.05489	31.5
81.07049	54.7
83.04971	28.4
85.02865	2.9
85.06522	2.7
91.05471	38.0
93.07038	62.8
95.04953	19.9
95.08590	37.7
95.09144	4.3
97.06517	4.0
101.06020	6.2
103.05432	2.3
105.07021	100.0
107.08578	64.1
109.06502	21.5
109.10140	10.1
113.05997	7.1
115.05428	6.4
117.07004	21.5
119.08566	64.4
121.10135	37.0
123.08059	4.8
123.11693	4.2
129.06975	3.4
131.08554	26.3
133.10103	25.3
135.08040	37.5
135.11671	7.7
137.09602	7.6
137.13235	4.0
142.07730	16.8
143.08517	3.8
145.10094	22.9
147.08105	3.6
147.11670	85.0
148.12091	2.8
149.09608	14.0
156.09367	2.7
157.10106	38.3
159.08044	4.2
159.11664	11.3
160.08853	3.4
161.09657	3.7
161.13274	3.4
163.11176	6.1
165.12749	20.1
171.11662	4.8
173.09621	5.0
173.13266	8.6
175.11168	54.1
177.12759	5.2
183.10097	3.7
184.07338	7.2
184.97627	2.6
187.14749	13.8
189.12769	6.2
193.12202	25.8
197.13231	10.7
204.41069	2.5
205.15823	4.8
207.13762	12.0
215.14259	20.5
233.15337	21.6
237.64616	2.6
250.18074	6.9
251.16461	4.4
288.19525	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	468.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.2
57.03423	3.1
61.02907	2.1
67.05501	8.1
69.03421	2.8
69.07059	5.7
71.04979	7.6
71.19111	2.5
71.19465	1.9
79.05486	22.1
81.07052	30.8
81.62004	1.9
83.04980	25.6
85.06557	4.2
91.05468	36.9
93.07038	28.1
94.06537	4.2
95.04961	18.3
95.08603	14.6
97.06524	4.9
99.04459	7.2
101.06017	9.4
103.05443	2.5
104.10742	2.7
105.07018	100.0
106.07399	2.8
107.08585	37.2
109.06506	10.4
109.10155	7.3
113.05991	2.8
115.05454	2.6
116.06162	2.0
117.07013	15.2
117.85210	2.0
119.08569	44.0
119.09412	2.7
121.06515	10.1
121.10144	16.3
123.08067	6.7
123.11671	2.1
128.06241	2.9
129.07004	10.1
130.07791	4.0
131.08545	43.6
133.06480	4.5
133.10109	35.2
135.08018	10.0
135.11679	4.4
137.09619	3.2
139.11180	7.8
141.06987	2.9
142.07761	29.6
143.08554	6.8
144.09352	3.9
145.10115	39.0
147.11661	43.1
149.09628	5.8
149.13182	3.5
155.08539	5.7
156.09380	2.9
157.10101	53.1
158.10736	2.4
159.08067	6.3
159.11685	25.6
161.09590	3.3
161.13237	2.7
163.11151	7.7
165.12749	2.9
167.08598	3.6
169.10078	3.6
173.09607	5.1
173.13263	10.3
175.11168	59.0
177.12686	8.4
182.10925	9.0
183.10121	6.7
187.14771	10.1
189.12779	2.6
197.13220	10.3
199.14871	2.2
201.11237	5.0
205.15944	3.9
215.14316	19.5
217.15758	4.5
218.46582	2.3
233.15329	6.2
235.50348	2.3
251.16428	3.7
264.95367	1.9
362.86679	2.0
378.10553	2.1
450.50003	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.6
59.59552	3.2
67.05499	11.5
69.07048	6.5
69.76225	7.3
69.76591	5.9
77.69293	3.1
78.62301	3.4
79.05486	12.6
81.07053	30.7
83.04977	8.3
91.05466	20.6
93.07035	33.4
95.04299	2.5
95.04967	6.0
95.08597	25.6
97.06522	7.6
98.22773	4.6
105.07024	46.6
107.08585	27.5
109.06512	9.7
109.10154	11.4
117.07021	13.0
119.08560	37.9
121.06533	9.2
121.10110	18.4
129.06897	3.2
131.08540	22.1
133.10118	27.3
135.11662	6.9
142.07758	5.5
143.08565	8.0
144.09346	12.2
145.10103	13.9
147.11668	18.8
149.13251	13.7
157.10091	17.7
159.11676	100.0
161.09659	3.5
161.13271	25.6
171.11671	4.1
173.13266	13.5
175.14864	5.2
175.69055	2.8
177.12726	49.3
181.10555	3.1
189.16429	19.2
199.14795	22.4
217.15886	33.2
235.16919	9.0
334.34454	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	468.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	7.4
67.05499	8.2
69.07057	3.9
70.58976	3.6
71.04994	6.0
73.01630	3.3
79.05489	15.0
81.07052	20.4
83.04975	16.1
85.06546	7.3
91.05472	33.5
93.07053	20.5
94.06572	6.7
95.04950	21.7
95.08610	9.4
97.06499	3.7
98.22595	6.3
99.04458	4.9
101.05980	6.2
105.07019	100.0
107.08573	42.4
109.06532	7.7
115.05431	3.9
117.06970	4.8
119.08580	48.6
121.06500	22.8
121.10148	10.0
123.08091	6.3
129.06990	7.8
131.08568	36.1
133.06433	6.7
133.10112	27.0
135.08032	8.6
141.07005	5.2
142.07755	24.5
143.08562	4.2
145.10118	30.8
147.11676	54.7
149.09601	4.0
149.13239	4.2
154.28128	2.9
155.08525	3.6
157.10107	46.3
158.10521	2.7
159.11687	13.5
161.13289	3.8
171.11728	5.5
173.09708	3.8
173.13242	9.1
173.57544	3.7
175.11191	60.1
178.40233	3.0
187.14830	13.7
197.13277	12.9
215.14284	14.9
233.15396	8.8
251.16469	10.4
470.49234	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	468.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92018	3.1
55.05505	13.8
67.05495	8.2
69.03391	3.8
69.07056	9.7
71.04989	5.2
71.17982	5.0
73.01582	3.3
79.05492	17.7
81.07059	37.1
83.04972	31.8
83.08633	6.9
85.06536	6.6
91.05468	34.2
93.07052	37.4
95.04961	50.9
95.08600	27.1
97.06540	11.8
101.06023	4.6
105.07025	100.0
107.08602	37.6
109.06512	16.6
109.10161	15.3
113.05968	3.4
117.06992	16.1
119.08575	56.2
121.05584	3.1
121.06502	11.1
121.10147	18.5
123.08066	6.8
125.05988	5.1
128.06204	4.4
129.06961	9.6
130.07788	6.4
131.08554	39.0
133.06454	4.3
133.10095	29.1
135.08070	11.2
135.11690	4.0
139.11067	6.1
141.06929	4.3
142.07777	19.4
143.08560	11.3
145.10103	49.4
147.08073	5.7
147.11670	79.9
149.09627	7.5
149.13229	5.2
155.08463	5.2
156.09315	5.3
157.10133	53.4
159.08034	8.6
159.11705	38.3
161.09601	14.4
161.13181	6.5
163.11153	4.3
165.12762	3.7
169.10139	4.5
171.11707	10.1
173.09625	6.1
173.13237	12.9
175.11194	70.7
177.12677	6.7
177.16432	4.1
182.10864	7.3
187.14810	31.8
189.12747	37.4
191.14268	4.8
193.12254	19.4
197.13232	7.6
205.15869	13.0
215.14301	36.7
233.15311	45.9
251.16338	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	468.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42577	2.7
55.05499	13.2
55.58862	2.2
57.03435	2.9
60.08157	2.9
65.03923	3.8
66.92232	2.7
67.05500	9.4
69.03429	2.8
69.07062	3.9
70.55652	4.6
71.04986	6.4
78.29283	2.3
79.05487	18.5
81.07038	25.4
83.04984	21.2
85.06540	6.8
86.09699	7.1
91.05478	28.3
93.07038	22.2
94.06569	5.7
95.04956	21.4
95.08596	13.1
96.04572	2.3
97.06538	4.7
99.04472	5.0
101.06013	9.8
103.43253	2.3
104.10729	22.4
105.07018	100.0
107.04942	2.4
107.08592	28.6
109.06514	12.1
109.10146	6.8
111.08102	3.0
113.06011	2.6
115.05430	2.5
117.07007	12.8
119.08562	48.6
121.06482	10.7
121.10136	18.3
123.08064	6.9
125.00000	6.4
125.09594	2.4
129.06990	10.1
130.07764	2.9
131.08556	47.6
133.10126	29.4
135.07156	2.2
135.08038	13.0
135.11705	5.2
136.22511	2.1
137.09669	2.5
139.11218	5.9
139.23547	2.0
141.07008	2.3
142.07771	28.6
143.08539	6.1
145.06447	2.5
145.10112	35.5
147.08073	3.2
147.11658	43.3
149.09651	2.9
150.57840	2.5
155.08623	3.8
157.10120	58.1
158.10649	2.2
159.08041	5.5
159.11642	13.4
161.13298	3.1
163.11157	7.1
169.10014	2.5
171.11664	5.4
173.09607	5.1
173.13280	9.9
175.11163	53.3
175.12634	3.7
182.10924	9.6
183.10222	4.6
184.07326	16.8
187.14754	15.2
192.58942	2.3
193.12221	4.9
197.13173	11.0
201.11272	4.2
205.15851	3.7
215.14252	19.5
233.15359	8.2
250.18060	3.1
251.16405	4.7
410.34207	2.3
439.73447	2.4
460.14999	2.5
468.30878	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	468.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	33.0
69.07072	22.2
71.43130	27.6
74.97807	26.7
81.07051	46.7
83.04982	35.5
85.06536	24.8
91.05473	28.6
93.07047	36.8
95.04957	77.9
105.07020	100.0
107.08595	33.8
109.06516	39.4
119.08559	85.8
121.10132	26.0
131.08536	34.1
145.10149	62.1
147.11705	66.6
149.09637	25.6
157.10095	73.7
159.11696	62.6
175.11177	79.0
187.14758	30.3
189.12778	83.4
193.12091	26.5
195.98122	22.2
215.14250	39.3
233.15385	38.3
235.03963	24.6
240.38737	23.6
281.04529	21.5
357.97366	26.7
468.32083	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	468.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	20.5
57.07072	35.1
67.05505	13.4
67.92461	2.1
69.07061	12.4
71.08626	23.2
71.18855	2.2
73.06538	3.0
79.05486	19.3
81.07053	21.0
83.04977	53.3
83.08633	4.6
85.10180	15.5
89.06026	46.9
91.05466	14.8
93.07035	26.9
95.08593	18.8
97.10168	4.2
98.98495	3.2
99.11726	4.7
101.06010	16.7
105.07018	34.5
107.08584	29.9
109.06525	4.0
109.10146	14.3
111.11750	2.6
117.06999	13.4
119.08562	16.0
121.10127	14.5
123.08051	2.7
123.11680	3.8
130.07788	5.1
131.08562	22.4
133.08604	28.5
133.10089	16.5
135.08221	2.2
135.11678	100.0
136.12086	2.8
143.08545	3.4
145.10115	61.2
147.11662	14.6
151.09584	2.4
155.01064	3.2
159.11676	32.3
161.13194	7.2
163.11171	37.3
163.14789	4.3
173.13257	6.9
175.14813	3.5
177.11214	12.8
177.72499	2.3
183.10165	8.2
191.17928	8.0
201.14450	4.2
201.16359	72.1
202.16821	2.6
219.17455	37.3
233.15266	2.3
237.18562	2.2
257.25003	3.3
283.17484	14.5
314.27673	3.5
451.36212	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	468.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	38.0
57.07067	6.6
67.05499	24.2
69.07062	18.0
71.04963	5.7
71.42490	7.4
71.42896	5.7
73.69556	4.9
79.05481	21.1
81.07051	54.8
83.04971	100.0
89.06029	8.7
91.05468	37.5
93.07049	47.2
95.08595	43.8
97.06522	7.9
101.06025	7.0
102.92783	5.9
105.07006	75.2
105.81292	5.6
107.08601	48.4
107.80553	5.1
109.10158	28.3
117.07005	12.6
119.08560	49.0
121.10124	30.9
131.08549	30.2
133.10141	26.3
134.98146	33.3
135.11687	6.5
145.10107	70.1
147.11699	30.8
159.11693	73.3
161.13249	56.2
163.14774	7.4
171.22368	5.9
173.11742	5.7
173.13196	13.1
183.10106	6.0
201.16393	96.3
203.17981	31.8
219.17427	60.0
220.62979	5.8
231.72592	6.0
236.14856	5.9
263.56909	5.7
335.25778	17.3
357.23563	6.1
370.37500	6.2
395.58798	5.6
469.23160	13.0
469.89465	6.5
490.67798	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	468.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	27.2
55.32728	1.8
57.07084	3.0
58.06588	2.8
67.05489	16.7
69.07063	11.1
69.72680	6.3
71.04983	5.2
78.53716	1.9
79.05502	10.5
81.07052	26.3
81.12764	1.8
83.04974	100.0
83.08604	5.1
85.06532	3.8
89.06026	2.9
91.05466	13.2
93.07038	28.8
95.04950	2.1
95.08597	32.9
98.22708	2.8
99.04434	2.5
101.06017	5.1
105.04474	1.7
105.07021	24.9
107.08577	30.0
109.06564	3.0
109.10135	12.5
117.07029	4.2
119.08566	24.3
121.10151	19.8
123.11684	6.5
131.08542	6.7
133.10094	14.5
134.98181	16.8
135.08022	2.3
135.11667	15.5
145.10097	11.5
147.11586	4.3
149.13266	6.6
159.11699	15.3
161.13249	18.6
163.11209	5.5
163.14850	1.8
164.48030	1.7
175.14833	7.2
177.16351	2.6
181.12157	2.0
183.10162	14.2
189.16388	2.1
191.17972	4.8
201.16299	9.1
203.18025	2.4
215.78380	2.0
219.17480	4.9
237.18497	10.5
269.76324	2.0
282.72363	2.0
335.25784	7.6
337.23550	3.8
357.24295	4.6
407.83942	1.8
469.23370	8.0
486.74734	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.4
57.07058	4.2
58.99710	1.4
67.05489	5.7
69.07074	3.7
71.43137	1.7
79.05484	4.3
81.07055	15.1
83.04977	10.3
83.08608	2.4
89.06025	8.0
91.05442	8.7
93.07045	8.2
95.08602	22.5
97.10149	2.0
99.04432	2.2
105.07021	41.2
107.08582	13.4
109.10152	17.8
109.23247	1.4
117.06980	1.7
119.08571	23.9
121.09373	1.4
121.10133	8.0
123.11705	7.1
133.08559	4.2
133.10112	20.6
135.08826	1.6
135.11650	3.4
145.10135	2.4
147.11674	72.1
148.12007	1.9
161.13275	16.1
163.14790	10.1
165.09138	3.5
165.12656	2.2
175.14828	3.1
181.92445	1.5
199.09590	1.8
203.17934	100.0
204.18254	4.3
217.12270	1.7
221.19017	5.2
222.95270	1.7
224.18094	1.3
231.58733	1.5
270.22437	1.6
283.17477	5.1
314.27798	2.0
468.33371	2.4
468.43814	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.5
55.99290	1.9
57.07073	64.6
66.83275	1.9
67.05528	2.6
69.07063	5.4
71.08627	46.2
71.08994	3.9
71.27514	2.6
73.06539	3.6
82.66155	2.0
83.08607	6.7
85.10169	31.8
87.04473	3.2
89.06024	100.0
95.08603	2.3
97.10169	5.9
99.11739	8.0
108.65435	1.9
111.11712	6.1
113.13233	3.9
117.09149	2.1
133.08592	57.3
134.98141	2.5
152.71530	2.2
162.16083	2.2
164.62657	1.7
169.19485	2.7
171.00484	2.2
173.62282	2.0
177.11185	22.5
177.12296	1.8
185.60719	1.8
195.12204	2.6
211.01512	1.9
213.22156	2.4
239.14929	3.7
257.24774	5.6
283.17468	26.1
301.27499	3.1
327.28696	2.7
451.36142	19.5
469.23157	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
57.91428	0.7
64.44153	0.7
69.03400	1.3
69.55820	1.9
69.56214	1.5
69.56425	0.6
81.79282	0.7
85.02924	1.6
89.03908	0.7
98.23452	1.5
135.04405	1.1
145.02904	1.0
150.58879	0.7
157.07568	1.6
163.03860	3.9
175.08664	3.1
185.04225	0.8
188.07086	0.8
203.05258	2.3
215.08266	1.0
238.04996	0.7
243.07651	3.4
259.07990	2.3
261.08719	1.2
304.59717	0.8
307.09225	3.5
337.13239	0.7
347.09467	88.8
348.09769	2.4
425.14224	1.5
469.13141	100.0
470.13477	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	469.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01195	0.5
72.00893	0.5
79.44913	0.5
85.02882	0.7
90.23212	0.5
103.82030	0.5
116.56193	0.5
127.03671	0.6
137.05989	0.8
181.04926	0.9
188.06476	0.6
365.08450	2.6
425.18307	0.7
469.13062	100.0
470.13455	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	469.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44861	0.4
69.04553	1.1
70.01197	1.0
70.01498	0.5
70.06599	0.8
79.05516	0.6
81.04540	6.7
82.05337	1.6
89.03912	3.0
95.02457	0.5
98.97518	0.5
107.04938	0.7
109.04031	0.8
110.07159	0.6
113.03513	1.9
117.03352	4.3
119.01892	0.5
135.04390	7.1
139.10490	0.5
142.06502	0.5
145.02853	5.0
147.04417	1.3
163.03889	25.7
164.04291	0.6
169.07602	1.9
188.07066	1.4
197.07074	3.3
203.05214	0.8
205.06386	1.0
214.07408	0.7
215.08115	4.4
225.06554	1.8
227.08153	2.0
233.05922	1.0
233.11525	1.9
243.07608	12.1
245.05161	0.6
245.09213	1.6
248.04533	0.6
253.06067	0.9
261.08682	3.2
263.07040	0.5
269.03375	0.6
271.07138	1.4
289.08243	4.1
289.14081	5.8
290.14487	0.5
291.06683	0.5
307.09235	21.6
307.12759	1.0
308.09665	0.8
309.07629	0.6
347.09732	0.5
373.34198	0.5
458.06741	0.4
469.13077	100.0
469.20316	22.6
470.13419	4.3
470.20157	0.9
472.90244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1473
Annotation	Polycarpine
Peak:m/z	Relative Intensity
55.05491	2.1
56.96542	5.1
62.58142	2.3
69.23280	3.8
69.23669	11.5
79.78059	2.1
80.35330	1.9
94.42238	2.0
94.93794	2.2
97.96790	2.4
98.97559	6.2
100.11262	2.8
110.97553	2.1
111.04375	2.4
116.98586	2.1
126.58066	2.1
128.98628	4.3
182.15463	3.4
198.14883	3.7
210.14926	2.2
219.01758	5.2
235.44467	2.6
237.02802	9.5
243.07704	2.3
300.06052	3.9
354.23642	2.9
407.14545	23.8
416.98846	2.2
425.15454	16.4
469.14658	100.0
469.33896	5.1
470.14941	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	469.1681
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
62.08077	0.4
69.40885	2.2
82.03960	0.7
83.01121	0.9
84.01886	0.7
86.16935	0.5
95.01078	2.5
96.01875	1.5
100.11259	1.4
111.04364	0.5
111.64297	0.5
112.01350	1.7
113.02145	3.6
123.86995	0.4
126.02888	0.5
128.07098	0.5
137.02325	0.7
157.04805	0.6
167.03236	0.8
185.04166	5.5
201.03748	1.7
202.91972	0.4
203.05344	0.8
217.04738	1.6
232.07056	17.5
233.07579	0.9
243.08191	0.6
259.07828	3.1
275.08923	1.3
438.14828	3.0
439.15869	1.7
469.16855	100.0
470.17081	5.3
470.36841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1832
Annotation	Dukunolide D
Peak:m/z	Relative Intensity
53.06078	1.1
55.46136	1.3
56.61259	1.2
65.62625	1.1
69.39715	2.5
69.40113	4.0
70.06574	1.8
72.08152	2.2
72.17803	1.3
86.09687	3.3
97.02881	1.7
98.97606	1.3
109.02856	2.2
120.08087	1.7
121.17937	1.5
129.10207	1.4
145.02953	1.3
152.24432	1.2
163.03885	3.7
166.63210	1.3
188.07019	1.2
197.07118	1.4
205.06448	6.1
225.06538	1.6
233.05850	5.9
243.07664	2.0
248.04634	3.1
248.48055	1.3
249.05498	2.0
250.06020	1.5
251.55930	1.3
253.06104	1.9
261.08755	2.2
263.07065	2.7
271.07080	2.0
289.07990	1.8
291.06567	1.5
307.09158	3.9
309.07550	5.8
336.02432	1.3
409.09714	1.7
441.08438	2.3
469.12289	13.4
469.18353	100.0
470.18622	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	469.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
53.03948	9.8
55.01873	1.1
55.05497	1.1
58.60485	0.7
66.04721	1.0
71.04994	4.8
77.64182	0.7
78.16129	0.7
79.05477	3.1
81.03413	18.9
81.07037	0.8
82.52773	0.9
83.04971	2.4
85.02882	1.1
91.05461	7.9
94.04176	4.0
95.04957	2.0
99.04449	64.6
100.04797	1.5
100.11227	1.0
100.80124	0.7
101.78388	0.9
103.05476	5.4
105.07018	6.7
107.04948	9.9
109.02867	16.9
109.06509	2.1
109.10142	0.8
111.04449	1.5
114.09172	2.0
115.05440	4.4
117.06995	1.8
118.04153	1.3
119.04955	3.4
119.08561	1.1
121.02862	4.2
121.06492	4.1
122.03647	9.7
126.90198	0.8
127.03907	74.4
128.04276	0.9
128.06235	1.6
129.06999	3.4
131.04878	4.9
131.08557	1.9
133.06480	3.5
135.08061	3.1
137.05968	100.0
138.06335	2.6
138.57738	0.8
139.03894	1.1
141.06967	5.7
143.04964	0.8
145.06482	1.8
145.07538	1.0
146.03624	12.2
146.07283	1.3
147.04439	1.9
147.08060	1.7
149.05995	4.8
149.09599	1.3
151.03896	2.2
151.07544	10.0
157.06514	1.8
158.07248	1.4
159.08049	1.3
160.05219	1.5
161.05966	43.6
161.09645	3.5
162.06551	2.4
163.07524	14.6
165.05617	0.7
165.06940	3.8
166.07811	2.4
169.06448	4.4
170.07251	1.0
172.05219	0.9
173.06013	1.2
173.09598	1.2
174.06711	5.3
175.07550	19.1
177.05473	2.8
177.06908	1.5
177.09090	12.3
178.07736	1.5
179.08588	2.5
181.06538	1.6
182.07135	1.3
183.08069	1.4
185.06001	1.0
186.06792	1.4
187.07474	1.5
189.07324	0.8
189.09081	15.3
190.07771	3.7
191.08521	1.6
193.06496	1.9
193.10121	1.7
194.07272	8.8
195.07974	2.2
201.09108	10.8
203.08600	2.7
204.09337	1.6
205.06496	5.1
205.10095	7.6
206.07289	1.2
207.08014	4.0
208.08865	1.2
209.06017	1.0
209.09554	2.3
210.06772	2.0
211.07562	1.9
215.08530	2.1
218.07303	4.2
219.07985	2.9
219.10181	4.7
221.06026	5.2
221.09610	4.8
222.06708	8.3
222.10291	1.6
223.07495	2.8
224.08351	2.2
225.09090	2.2
227.06990	1.3
231.08107	1.5
232.08789	2.5
233.05902	2.5
233.09642	15.0
234.06812	2.2
234.10287	1.7
235.07587	4.8
236.08273	1.5
237.09074	10.9
237.17653	0.8
238.09659	1.2
239.07011	2.8
239.10727	2.3
241.08614	3.2
247.07445	1.3
248.08363	0.9
249.05411	1.5
249.09061	3.3
250.06216	3.7
250.09871	5.7
251.07014	2.3
251.10657	1.7
252.07741	1.6
253.08653	2.5
253.12173	2.2
254.09424	2.4
255.10233	1.0
261.09100	10.3
262.09821	3.4
263.07083	1.4
263.10745	1.2
264.07816	2.5
265.08585	19.6
265.12198	8.9
266.09357	1.5
266.12634	0.9
267.06458	1.1
267.10269	5.9
269.08160	4.6
275.10504	1.1
277.08609	1.6
278.09351	4.2
279.10172	2.3
281.08197	2.7
281.11682	2.4
282.08945	4.8
282.12006	1.2
284.10376	4.1
285.11182	3.6
293.11703	32.8
294.12347	3.0
295.09680	2.8
297.11221	40.0
297.14804	2.7
298.11594	3.0
299.12753	16.3
310.11975	3.9
311.12704	6.1
313.14328	11.8
315.12271	8.8
325.14304	38.6
326.14688	1.7
327.12228	0.9
341.13489	1.4
343.11127	1.8
343.15341	35.0
344.15616	1.4
345.13388	2.4
351.12222	2.1
369.13324	1.2
391.15659	1.1
401.14432	0.8
423.18002	2.4
451.17200	4.3
469.18640	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	469.2043
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
58.38638	0.6
63.04612	0.6
81.04530	0.6
82.81726	0.6
91.05474	2.1
99.04453	0.8
105.07016	2.1
107.04974	0.8
117.06998	1.3
119.01869	0.6
119.08634	0.6
129.06960	0.9
131.08606	1.3
133.05598	0.7
133.06497	2.4
143.08553	1.2
145.02776	0.6
145.10135	2.2
155.08569	0.9
163.03926	0.9
165.77171	0.7
171.07962	0.5
173.09692	1.6
203.05269	5.0
214.23056	0.6
233.11459	9.0
289.14069	24.7
290.14435	0.9
307.09372	1.1
307.15253	1.3
338.04184	0.7
391.42767	0.6
469.12564	8.8
469.20364	100.0
470.20746	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	469.2043
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
51.41229	0.4
54.54822	0.3
55.05519	0.5
69.51117	0.4
83.08624	0.4
85.02905	0.5
86.50735	0.4
88.56721	0.3
99.88728	0.4
100.11250	2.4
111.97535	0.4
120.20409	0.4
142.10040	0.4
142.12257	0.8
182.15379	0.5
184.16937	0.6
184.81699	0.4
186.50285	0.4
201.03893	0.4
210.14915	0.5
258.82983	0.4
269.18677	0.5
333.07928	6.9
335.09390	0.6
337.16028	1.9
469.20413	100.0
469.37579	1.6
470.20792	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.05509	7.0
55.79352	1.2
64.50970	1.3
66.02180	1.2
67.05500	9.7
69.03416	2.7
69.07079	6.6
79.05492	6.6
81.03400	1.8
81.07047	18.0
83.08601	1.4
84.11082	1.4
85.02898	3.6
89.03903	1.3
91.05479	12.8
91.95725	1.2
93.07048	13.0
95.08022	2.1
95.08599	28.3
96.08953	1.5
96.82572	1.4
97.10143	1.6
105.07026	51.3
105.07739	2.6
107.08582	17.3
109.10146	19.0
115.03922	1.5
117.03343	1.7
117.07018	1.7
119.08572	35.9
121.09319	1.5
121.10134	10.2
122.57726	1.5
123.11706	7.6
127.03879	2.6
129.31171	1.2
131.08566	1.8
133.10130	25.8
135.04427	2.2
135.11627	4.0
137.41530	1.3
145.02798	1.8
145.10129	5.9
147.11670	94.6
148.12029	3.5
149.13246	7.3
159.11626	3.4
161.13225	10.4
163.03889	14.8
175.14778	2.9
203.17926	100.0
204.18263	5.3
221.18927	3.3
230.55495	1.3
285.63013	1.2
309.61926	1.2
469.10568	1.8
469.20435	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	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.2
55.01878	19.5
55.05506	24.9
61.96058	8.0
67.05502	44.6
69.03424	45.3
69.07050	38.4
71.04974	12.6
73.02890	7.2
79.05488	35.5
81.03409	48.3
81.07053	91.7
83.04967	15.5
83.08652	9.5
85.02895	79.1
85.06577	9.4
87.00830	35.4
91.05462	45.9
93.07038	100.0
95.04977	19.0
95.08601	80.1
97.02897	29.6
99.04489	15.4
103.03958	7.7
105.01875	20.6
105.07031	91.4
107.04957	13.1
107.08607	72.8
109.02884	31.9
109.06524	13.0
109.10149	64.1
111.04417	12.4
111.08059	13.1
112.15681	7.7
115.03922	8.9
117.07024	10.1
119.08563	82.4
121.06453	11.3
121.10140	46.6
123.08047	11.5
123.11731	21.9
125.09628	22.8
127.03875	44.0
129.07031	13.9
131.07068	9.5
131.08534	29.1
133.10107	56.5
133.55840	9.2
135.08018	11.5
135.11682	33.3
137.09641	10.4
141.06987	8.9
143.08548	17.9
145.04855	13.4
145.10126	30.1
147.11699	96.0
157.10121	15.4
159.11635	41.5
161.13260	31.7
163.11165	11.5
163.14885	10.5
165.12735	14.6
168.09323	9.6
173.13289	24.5
175.14796	16.6
183.11745	11.4
187.14833	11.6
189.16292	9.9
201.12808	9.5
201.16434	22.9
203.14325	21.4
203.17982	42.4
209.13202	11.9
210.62440	9.2
219.17393	19.1
221.18990	8.7
225.16362	8.8
228.97765	9.3
293.19009	10.0
311.20023	20.4
329.21042	9.4
347.21985	8.3
415.20856	8.9
425.21307	14.6
433.21982	11.3
451.23029	9.4
469.19717	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.9
55.01867	14.9
55.05503	12.7
57.03422	6.9
57.07071	4.5
59.04991	2.7
61.02920	6.9
67.05508	13.9
68.99799	4.7
69.03423	56.7
69.07062	10.2
69.07879	19.5
70.06575	2.6
71.04980	8.1
73.02921	12.3
77.64639	2.2
79.05491	10.0
81.03415	58.3
81.07059	28.8
83.01296	3.8
83.08633	6.0
83.73637	2.4
85.02900	100.0
87.00824	45.1
91.03957	2.7
91.05508	15.1
91.05972	2.7
93.07033	22.1
95.04984	6.2
95.08597	34.7
97.02896	37.6
97.10140	4.0
99.04450	22.4
105.01854	33.4
105.07038	28.9
107.08592	35.3
109.02877	50.1
109.10152	21.1
111.22992	2.6
117.01868	7.7
117.03384	3.2
117.06979	5.0
119.08577	36.4
121.10138	25.0
123.11710	9.4
127.03906	87.2
129.01868	8.5
129.07019	3.0
131.08577	11.0
133.10110	25.4
135.08057	2.5
135.11676	15.5
135.57909	2.8
142.20641	2.6
143.08525	7.7
145.04956	27.6
145.10132	13.9
147.02881	5.3
147.11662	28.6
149.13228	13.4
155.08606	4.7
157.10118	12.3
159.02892	38.2
159.11694	19.3
161.13272	20.9
163.03854	2.9
163.14812	29.4
169.10114	4.3
173.13271	8.9
175.14893	8.6
177.16412	4.4
183.11679	3.7
185.13235	4.1
187.14830	9.1
189.16283	5.7
199.14774	5.8
201.16405	27.6
203.17938	57.3
205.15723	3.8
205.19456	12.9
208.60266	2.6
213.03979	5.3
213.16371	4.7
215.17909	4.7
217.16003	4.0
219.17328	13.9
221.18987	28.3
231.04918	13.9
231.17467	5.3
233.19014	5.8
245.18961	4.3
253.15820	2.9
256.18076	2.7
281.51312	3.0
311.20163	4.2
329.21042	3.5
357.42767	2.5
415.21292	4.0
423.32648	3.3
433.21954	6.3
451.22504	3.4
469.20413	9.0
469.32980	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	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21656	3.1
53.03944	12.1
55.01865	19.1
55.05511	27.1
57.03428	12.0
57.07072	13.5
59.90376	3.2
61.02930	12.9
65.03960	3.3
67.05503	46.7
68.99417	2.9
68.99773	15.3
69.03424	58.2
69.07059	44.6
70.06599	3.4
70.72923	3.4
71.01353	3.5
71.04992	38.1
71.08665	4.2
73.02898	6.3
77.03876	3.6
79.05483	33.2
81.03407	40.8
81.07053	100.0
81.25993	3.9
83.04986	15.2
83.08620	14.7
85.02900	61.8
85.06559	10.0
87.00819	40.2
87.04418	4.0
91.05473	39.1
93.07037	76.2
93.80170	3.4
95.04967	27.7
95.08596	86.3
97.02880	33.1
97.06522	14.0
97.10177	10.2
99.04433	17.3
99.08070	6.1
100.11244	4.0
101.40252	3.1
103.03946	9.4
105.01873	14.4
105.07014	76.3
107.04958	8.8
107.08584	70.4
107.09263	5.8
109.02870	21.1
109.06540	16.4
109.10146	65.1
111.04444	18.5
111.08071	6.3
111.11784	4.5
113.06004	3.8
115.03937	20.0
115.05465	5.7
117.06997	20.0
118.43042	3.2
119.08569	89.7
121.06481	10.1
121.10143	68.4
123.04425	13.6
123.08076	14.3
123.11683	38.9
125.06005	4.7
125.09651	5.9
127.03905	28.6
127.11179	28.2
128.06227	6.4
128.10718	6.8
129.01825	16.1
129.07018	12.2
131.08580	35.9
133.10130	51.7
135.04410	6.7
135.08044	12.0
135.11690	34.6
137.06009	10.3
137.09598	8.4
137.13243	17.9
139.07571	3.7
139.11189	5.2
142.07759	11.5
143.08525	22.6
144.09340	4.2
145.04919	5.8
145.06508	4.1
145.10115	58.6
146.10548	2.9
147.02878	5.2
147.08002	15.8
147.11678	45.2
149.06000	3.5
149.09610	13.2
149.13257	21.1
151.07484	4.2
151.11166	7.6
151.14795	3.8
153.12785	6.1
155.08537	9.2
156.10315	6.9
157.10152	32.0
159.02867	9.7
159.08005	6.7
159.11676	48.9
161.09641	9.0
161.13243	23.9
161.14432	3.9
163.03882	8.0
163.07469	4.4
163.11214	8.8
163.14833	7.3
165.09126	7.5
165.12727	5.7
167.08636	4.9
169.10133	9.5
170.15393	3.2
171.08046	6.6
171.11687	19.1
173.09596	5.5
173.13245	19.4
175.11209	13.1
175.14832	17.1
175.70169	3.4
177.09073	5.2
177.12735	9.2
177.16391	10.2
181.10173	8.7
182.11020	3.9
183.11711	12.4
185.09612	8.0
185.13239	13.0
187.11145	5.3
187.14713	15.1
189.03984	8.7
189.09055	5.2
189.12756	11.3
189.16386	20.8
191.14337	9.8
191.18005	11.6
193.08519	3.9
193.15904	6.8
193.19510	5.0
195.11714	9.0
197.13313	7.9
198.15005	5.6
199.14824	8.1
201.03952	7.2
201.12726	12.8
201.16374	23.4
203.14339	6.2
203.17992	30.3
205.15816	6.0
207.11774	7.5
209.13261	7.0
213.12709	4.1
213.16354	11.5
215.14323	3.9
215.17973	11.8
217.15932	7.1
219.04901	5.4
219.17465	21.9
221.18941	17.7
223.14806	6.1
225.12747	13.0
225.16499	4.1
227.17976	10.0
231.05009	4.6
231.17496	6.8
233.19012	11.2
241.15874	4.0
243.13776	8.6
243.17358	7.8
245.19064	16.1
247.16833	3.7
259.16840	4.0
261.18402	5.3
263.20023	10.5
269.18887	5.3
287.20078	10.1
293.19049	5.3
311.20120	23.1
329.21130	14.0
331.58893	3.9
347.22290	5.7
365.16144	5.2
378.73428	3.8
383.16940	6.1
415.21359	4.1
423.32648	3.8
425.17319	6.6
433.22147	9.9
451.23303	22.5
469.17197	9.8
469.24945	20.3
469.37866	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	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21656	3.1
53.03944	12.1
55.01865	19.1
55.05511	27.1
57.03428	12.0
57.07072	13.5
59.90376	3.2
61.02930	12.9
65.03960	3.3
67.05503	46.7
68.99417	2.9
68.99773	15.3
69.03424	58.2
69.07059	44.6
70.06599	3.4
70.72923	3.4
71.01353	3.5
71.04992	38.1
71.08665	4.2
73.02898	6.3
77.03876	3.6
79.05483	33.2
81.03407	40.8
81.07053	100.0
81.25993	3.9
83.04986	15.2
83.08620	14.7
85.02900	61.8
85.06559	10.0
87.00819	40.2
87.04418	4.0
91.05473	39.1
93.07037	76.2
93.80170	3.4
95.04967	27.7
95.08596	86.3
97.02880	33.1
97.06522	14.0
97.10177	10.2
99.04433	17.3
99.08070	6.1
100.11244	4.0
101.40252	3.1
103.03946	9.4
105.01873	14.4
105.07014	76.3
107.04958	8.8
107.08584	70.4
107.09263	5.8
109.02870	21.1
109.06540	16.4
109.10146	65.1
111.04444	18.5
111.08071	6.3
111.11784	4.5
113.06004	3.8
115.03937	20.0
115.05465	5.7
117.06997	20.0
118.43042	3.2
119.08569	89.7
121.06481	10.1
121.10143	68.4
123.04425	13.6
123.08076	14.3
123.11683	38.9
125.06005	4.7
125.09651	5.9
127.03905	28.6
127.11179	28.2
128.06227	6.4
128.10718	6.8
129.01825	16.1
129.07018	12.2
131.08580	35.9
133.10130	51.7
135.04410	6.7
135.08044	12.0
135.11690	34.6
137.06009	10.3
137.09598	8.4
137.13243	17.9
139.07571	3.7
139.11189	5.2
142.07759	11.5
143.08525	22.6
144.09340	4.2
145.04919	5.8
145.06508	4.1
145.10115	58.6
146.10548	2.9
147.02878	5.2
147.08002	15.8
147.11678	45.2
149.06000	3.5
149.09610	13.2
149.13257	21.1
151.07484	4.2
151.11166	7.6
151.14795	3.8
153.12785	6.1
155.08537	9.2
156.10315	6.9
157.10152	32.0
159.02867	9.7
159.08005	6.7
159.11676	48.9
161.09641	9.0
161.13243	23.9
161.14432	3.9
163.03882	8.0
163.07469	4.4
163.11214	8.8
163.14833	7.3
165.09126	7.5
165.12727	5.7
167.08636	4.9
169.10133	9.5
170.15393	3.2
171.08046	6.6
171.11687	19.1
173.09596	5.5
173.13245	19.4
175.11209	13.1
175.14832	17.1
175.70169	3.4
177.09073	5.2
177.12735	9.2
177.16391	10.2
181.10173	8.7
182.11020	3.9
183.11711	12.4
185.09612	8.0
185.13239	13.0
187.11145	5.3
187.14713	15.1
189.03984	8.7
189.09055	5.2
189.12756	11.3
189.16386	20.8
191.14337	9.8
191.18005	11.6
193.08519	3.9
193.15904	6.8
193.19510	5.0
195.11714	9.0
197.13313	7.9
198.15005	5.6
199.14824	8.1
201.03952	7.2
201.12726	12.8
201.16374	23.4
203.14339	6.2
203.17992	30.3
205.15816	6.0
207.11774	7.5
209.13261	7.0
213.12709	4.1
213.16354	11.5
215.14323	3.9
215.17973	11.8
217.15932	7.1
219.04901	5.4
219.17465	21.9
221.18941	17.7
223.14806	6.1
225.12747	13.0
225.16499	4.1
227.17976	10.0
231.05009	4.6
231.17496	6.8
233.19012	11.2
241.15874	4.0
243.13776	8.6
243.17358	7.8
245.19064	16.1
247.16833	3.7
259.16840	4.0
261.18402	5.3
263.20023	10.5
269.18887	5.3
287.20078	10.1
293.19049	5.3
311.20120	23.1
329.21130	14.0
331.58893	3.9
347.22290	5.7
365.16144	5.2
378.73428	3.8
383.16940	6.1
415.21359	4.1
423.32648	3.8
425.17319	6.6
433.22147	9.9
451.23303	22.5
469.17197	9.8
469.24945	20.3
469.37866	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	469.3308
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03936	1.8
53.70585	1.2
55.05503	10.6
57.07055	4.4
65.03934	3.6
67.05495	21.6
69.03419	27.1
69.07053	13.9
69.09219	8.9
71.04973	1.1
71.08661	1.1
77.03928	2.4
79.05483	22.3
81.03409	3.7
81.07046	40.0
83.04967	4.0
83.08601	4.5
85.06574	1.6
91.03445	1.2
91.05036	0.7
91.05463	34.8
93.07034	48.3
95.04350	1.2
95.04961	29.7
95.08590	60.2
96.08923	1.4
97.06525	6.8
97.10155	2.4
99.04449	12.2
103.05437	2.7
105.04537	1.7
105.07014	76.0
106.07317	1.5
106.79581	1.2
107.04947	1.3
107.08580	52.2
108.08892	1.5
109.06500	6.7
109.10139	29.6
110.73357	1.3
111.04429	2.0
111.08069	3.0
115.05447	2.0
116.06237	1.8
117.07011	15.4
119.08565	100.0
120.08857	2.0
121.06503	3.3
121.10118	49.7
123.08056	7.6
123.11678	7.8
125.05989	1.4
125.09662	1.4
127.07546	1.3
128.06177	5.2
129.06982	12.7
130.07768	3.5
131.08548	44.2
133.06471	2.6
133.10109	57.4
134.10445	1.4
135.08028	3.6
135.11678	15.6
137.09621	3.4
137.13245	2.5
139.07556	2.0
141.06984	2.0
142.07759	9.2
143.08545	27.5
144.09288	4.0
145.08961	2.7
145.10106	52.0
146.10762	1.6
147.08034	5.7
147.11667	33.1
149.09558	7.5
149.13232	13.3
151.11194	3.5
153.09131	3.3
155.08537	5.2
156.09317	8.4
157.10112	31.8
158.10902	2.2
159.08044	2.1
159.11674	42.5
160.12198	2.1
161.09647	4.4
161.13235	33.9
163.11165	1.8
163.14789	15.4
165.08980	1.6
167.10724	1.7
169.10081	7.0
170.10866	4.1
171.11676	17.5
172.12263	1.6
173.09587	1.9
173.13246	26.8
174.13666	1.5
175.11203	3.9
175.14807	24.2
177.12778	1.8
177.16388	8.9
179.10701	1.9
181.10190	1.6
183.11679	4.1
184.12440	4.3
185.13231	9.9
186.13907	1.9
187.14799	43.3
188.15103	1.2
189.12747	3.8
189.16354	61.1
190.16763	1.5
191.14333	4.3
191.17961	5.4
195.11736	2.0
197.13232	5.8
199.14790	30.1
201.16360	49.8
202.16769	1.9
203.14293	9.7
203.17903	14.2
205.15857	3.8
207.13843	6.9
207.17365	3.4
211.14777	4.3
213.16354	20.4
215.14539	6.9
215.17915	32.5
217.15854	38.7
217.19487	5.0
219.17363	2.7
221.15364	4.5
225.16414	2.8
227.17908	4.7
229.15851	4.8
229.19484	5.0
231.17400	4.2
233.15367	7.0
235.14571	1.9
235.16861	25.1
237.16299	2.3
239.17918	3.2
241.19452	6.1
243.17293	1.6
243.21042	6.5
245.22665	1.5
247.16867	11.9
249.18393	1.5
253.19385	2.7
255.21098	4.9
259.16989	3.0
261.18423	14.5
265.19617	1.5
267.21094	6.4
269.22464	2.8
273.18561	2.1
281.22675	2.1
287.19998	1.8
289.21466	2.0
301.21887	1.3
309.26016	1.5
326.82040	1.4
342.76617	1.3
349.28894	1.8
355.26370	3.0
375.30502	1.5
377.31906	1.4
387.30414	3.8
393.31647	1.6
395.29279	5.8
405.31549	17.1
406.31827	1.9
407.33313	1.4
421.31015	4.3
423.32504	20.2
424.33072	1.6
425.34555	1.6
433.31012	3.9
451.31900	14.7
452.31998	1.6
469.33060	97.0
470.33191	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	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.24329	1.5
53.03951	1.9
55.05509	13.4
57.07066	3.0
59.04990	1.3
61.10718	1.6
67.05497	18.0
69.03427	30.6
69.07072	16.8
77.43922	1.6
79.05486	23.1
81.03415	3.1
81.07053	39.4
83.04975	7.6
83.08617	7.3
91.05472	35.6
93.07038	47.4
95.04962	34.0
95.08603	55.9
95.09215	3.0
97.06526	5.9
97.10162	2.5
98.23515	3.5
99.04462	13.4
103.05442	2.5
105.07024	70.3
107.08590	57.0
109.06504	8.4
109.10147	31.5
111.08080	2.9
115.05466	2.4
117.06995	14.1
119.08574	100.0
120.08908	1.6
121.06507	4.0
121.10139	45.4
122.10452	1.8
123.08093	6.3
123.11687	7.9
125.05986	2.0
128.06241	4.6
129.06998	10.9
131.08553	36.3
133.06502	3.0
133.10120	59.3
134.10416	1.9
135.08025	4.2
135.11693	17.9
137.09615	3.9
137.13272	2.1
139.07503	1.8
141.06955	1.9
142.07744	9.4
143.08551	24.0
144.09320	4.5
145.10117	59.3
147.08028	5.7
147.11671	37.0
149.09613	6.6
149.13254	14.7
150.65161	1.6
151.11217	2.6
153.09131	4.0
155.08560	5.4
156.09302	7.2
157.10117	33.6
158.10922	4.1
159.07999	2.5
159.11685	39.8
160.12173	2.6
161.09595	5.4
161.13246	38.5
163.11147	2.9
163.14789	15.2
165.12794	1.8
167.10527	1.8
169.10124	7.0
170.10889	5.2
171.11687	23.7
173.13258	27.1
175.11166	3.8
175.14827	21.8
177.16408	12.0
179.10664	4.1
183.11728	5.5
184.12514	4.5
185.13205	8.4
187.14803	40.5
188.15216	2.3
189.12781	3.2
189.16370	62.2
190.16821	2.0
191.10568	2.0
191.14359	4.9
191.17960	4.0
193.12219	1.5
193.15747	1.8
197.13280	5.0
199.14818	29.2
201.12787	2.0
201.16377	52.5
202.16658	1.9
203.14253	10.6
203.17911	15.4
205.15839	6.1
207.13849	4.8
207.17403	1.7
209.13289	2.3
211.14873	3.1
213.16356	16.0
215.14345	5.8
215.17932	33.1
216.18430	1.8
217.15874	42.6
217.19504	5.5
219.13931	1.7
219.17261	2.8
221.15366	4.2
221.19009	2.8
225.16408	3.6
227.17981	4.5
229.15886	4.5
229.19652	4.8
231.17503	4.6
233.15399	5.3
235.16910	21.0
239.18018	3.5
241.19493	6.4
243.17502	2.2
243.21082	6.3
247.16901	10.1
253.19585	3.9
255.21162	3.6
257.22626	2.1
259.16949	1.5
261.18466	11.6
265.19818	1.5
267.20972	7.5
269.22504	1.5
276.48083	1.3
287.20151	1.8
299.20245	1.7
315.23114	1.9
349.28922	3.3
387.30484	4.6
395.29459	5.2
405.31491	16.7
406.31699	2.0
423.32556	24.1
431.08524	1.7
433.30997	4.8
451.32101	14.7
469.10925	2.4
469.20441	32.3
469.33105	99.2
470.21069	1.7
470.33331	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	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03943	10.3
55.05513	20.9
57.07074	7.4
67.05499	17.5
69.03409	5.4
69.07073	19.7
69.16436	5.0
69.16834	15.3
71.04991	4.3
79.05481	22.0
81.03404	14.0
81.07057	56.0
83.04507	3.9
83.04970	25.3
83.08602	10.5
85.02908	8.8
89.03911	5.8
91.05466	38.0
93.07040	53.2
95.04944	10.8
95.08595	59.4
97.06519	7.3
99.04449	38.5
99.08076	22.1
100.11255	4.6
103.05484	4.3
105.07023	79.3
107.04954	8.2
107.08586	68.8
109.02862	14.5
109.06499	10.8
109.10148	32.0
111.04464	3.8
111.08053	4.7
114.09174	3.7
115.05455	4.6
117.03378	9.0
117.07003	15.3
118.03689	4.8
119.04935	3.3
119.08570	100.0
120.08887	3.0
121.06509	4.0
121.10135	48.3
122.03708	5.1
123.08033	4.3
123.11723	17.2
125.09631	6.6
127.03904	46.8
129.07011	8.3
130.07742	5.5
131.04997	4.1
131.08554	61.6
133.10120	57.8
135.04393	16.9
135.08043	3.9
135.11679	19.8
136.04694	4.5
137.05971	59.7
142.07784	9.3
143.08562	24.4
144.02101	12.2
145.02737	13.6
145.10109	77.8
146.01817	10.7
146.03618	5.8
147.11668	44.2
149.05943	4.9
149.09616	5.5
149.13283	14.8
151.07524	6.8
151.11147	7.4
155.08517	9.5
156.09271	6.3
157.10095	29.2
159.08009	5.2
159.11693	56.1
161.05972	32.2
161.09598	7.4
161.13245	18.3
163.03900	99.0
163.07538	6.4
163.14835	8.4
164.04228	33.8
167.76561	3.1
169.10083	10.0
170.10852	3.6
171.11684	19.7
172.12505	4.0
173.13228	45.7
175.07521	13.5
175.14828	30.4
177.09091	10.8
177.12701	4.3
177.16347	16.1
183.11674	9.3
184.12440	8.7
185.13264	35.5
187.14798	69.9
189.09134	8.9
189.16331	25.6
191.14278	7.7
191.17998	3.8
194.07289	3.7
195.11720	4.8
197.13217	9.6
199.14804	42.2
201.09094	5.9
201.16377	52.0
202.16699	4.0
203.14273	18.4
203.17989	11.1
205.06535	3.3
205.10078	5.0
205.15862	45.3
207.08177	4.1
209.13260	5.3
211.14775	14.7
213.16347	28.4
215.14391	5.8
215.17912	6.7
217.15800	12.6
219.08180	4.8
219.10188	4.0
219.17441	22.3
221.15382	4.1
222.06723	7.4
225.16423	6.1
227.17889	4.0
229.15947	6.1
231.17406	9.0
233.09523	8.2
233.15445	6.2
245.15356	6.6
247.17043	4.4
249.09090	5.7
249.14812	6.4
251.17938	3.9
255.20911	4.0
259.17023	4.4
261.09064	5.0
265.08560	10.1
265.11987	4.6
267.10162	4.3
267.21054	5.8
293.11618	16.4
297.11172	21.9
299.12741	8.7
313.14313	5.7
315.12088	5.7
325.14395	15.2
343.15341	17.9
351.26651	4.4
387.30447	6.2
405.31543	43.0
406.31998	6.4
407.32867	7.9
423.32587	28.3
424.33081	3.9
433.30948	12.0
439.32266	4.0
451.32101	20.0
469.20047	3.9
469.32877	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	469.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05500	17.9
57.07061	4.0
65.03920	2.6
67.05208	1.6
67.05505	17.1
69.03406	8.5
69.07060	14.7
70.06594	1.9
70.66414	3.4
71.04995	1.7
71.08612	4.4
79.05487	20.9
81.03432	2.7
81.07049	41.0
83.04974	21.4
83.08641	9.0
85.06548	3.4
91.05477	34.3
93.06444	2.6
93.07040	49.4
95.04964	17.3
95.08603	48.6
97.02884	1.4
97.06513	4.5
99.04420	3.2
99.08086	20.7
100.07605	2.4
100.11243	4.0
100.70826	1.3
103.05437	3.4
105.04523	1.8
105.07018	76.5
106.07355	2.8
107.08584	66.9
108.08892	1.7
109.06502	7.4
109.10149	27.2
111.04426	4.4
111.08051	2.5
116.06168	1.7
117.06997	12.7
119.08570	100.0
120.08922	1.5
121.06467	4.5
121.10136	35.9
123.08110	7.2
123.11704	9.8
125.09632	4.4
127.11192	2.2
128.06187	3.5
128.07060	2.0
129.06990	6.7
130.07715	2.9
131.08556	62.7
133.06490	1.6
133.10120	54.0
135.08029	4.4
135.11688	17.1
137.09644	3.0
137.13234	2.0
141.06955	1.6
142.07767	6.7
143.08557	20.0
144.09309	4.3
145.10107	67.9
147.08003	3.2
147.11676	84.5
148.12025	2.8
149.09608	6.6
149.13231	27.4
151.11183	2.5
153.09099	2.7
155.08583	4.2
156.09348	4.7
157.10133	28.0
158.10883	2.4
159.08054	3.0
159.11679	50.4
160.12144	1.8
161.09607	7.0
161.13257	28.5
163.03867	2.6
163.11147	4.0
163.14851	7.2
169.10094	5.7
170.10945	3.1
170.15367	10.9
171.11668	14.3
173.09633	1.9
173.13242	30.8
174.13657	2.0
175.11195	4.9
175.14806	21.4
177.12747	3.7
177.16388	19.4
179.14310	3.1
182.10887	1.6
182.15443	5.2
183.11691	8.6
185.13216	16.7
187.14809	48.9
189.12724	4.4
189.16370	21.0
191.14304	5.4
191.17943	4.2
195.11679	4.0
197.13268	7.4
198.14946	9.6
199.14784	23.2
201.12825	4.3
201.16370	85.8
202.16714	3.5
203.14281	21.5
203.17921	10.8
205.15865	37.3
206.16211	1.6
209.13281	3.8
210.14856	6.1
211.14810	6.2
213.16376	13.1
215.14375	7.1
215.17978	13.5
217.15875	19.5
219.17418	17.4
221.15372	6.1
223.14796	2.6
225.16397	5.9
227.17854	4.4
229.15851	5.7
229.19519	2.1
231.17471	5.3
233.15331	3.7
235.16916	6.6
237.16296	2.0
239.17949	2.9
241.19453	3.7
243.17349	4.6
245.15265	2.9
247.16907	10.2
249.14874	5.9
251.17920	2.8
253.19417	3.2
255.17180	1.9
255.20955	2.5
259.17084	1.8
259.20529	3.5
261.18494	5.4
265.17886	2.3
267.21072	2.3
272.19711	2.6
283.20700	2.2
293.22458	2.8
297.25311	2.4
299.20270	1.9
333.25586	1.8
337.94943	1.5
347.27377	2.6
351.26730	3.3
365.28333	12.6
387.30368	4.2
393.27606	3.6
395.33224	1.9
405.31430	20.8
411.28928	28.5
412.29285	2.4
423.32468	26.9
424.32007	3.7
425.33823	2.7
433.31104	5.3
441.33618	3.2
451.32080	22.1
452.32697	1.9
465.29852	1.5
469.14377	1.8
469.20367	5.9
469.33160	63.6
470.33578	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	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05505	16.5
57.07079	5.1
67.05495	25.3
69.03421	35.9
69.07063	15.7
69.29544	10.8
70.98486	2.7
71.05000	4.6
77.03917	3.1
79.05476	24.9
81.03407	7.4
81.07056	46.3
83.04971	6.9
83.08602	8.4
85.02893	6.1
86.09705	3.9
91.05476	37.3
93.07034	56.0
95.04482	3.3
95.04984	27.4
95.08598	65.6
97.02895	3.2
97.06546	9.2
97.10172	3.6
98.22652	4.8
99.04439	11.4
105.07029	70.0
107.08585	63.8
109.06496	9.0
109.10152	31.0
111.08103	4.3
117.07037	16.3
119.08572	99.7
121.06516	4.0
121.10139	51.8
121.11004	5.5
123.08055	9.5
123.11726	13.9
128.06227	5.8
129.06978	11.5
131.08562	43.5
133.06488	4.6
133.10110	70.3
135.08051	3.4
135.11713	19.2
137.09602	5.5
142.07764	8.4
142.67249	3.2
143.08534	26.7
144.09311	3.9
145.06425	3.3
145.10126	52.5
147.08049	5.2
147.11671	38.6
149.09569	6.9
149.13242	18.2
151.11197	5.1
155.08542	7.1
156.09325	5.8
157.10117	31.6
158.10902	5.3
159.08018	4.0
159.11673	44.3
161.09627	6.3
161.13261	39.5
163.03856	5.4
163.14824	15.5
165.09193	3.5
169.10135	6.9
170.10931	5.3
171.11697	18.8
173.13260	31.6
175.11160	4.6
175.14841	25.4
177.16380	13.7
183.11687	6.6
185.13226	12.2
187.14793	39.8
189.12807	7.3
189.16400	56.7
191.14363	6.7
191.17818	6.1
197.13309	6.6
199.14809	29.1
201.16360	62.8
203.14348	28.2
203.17903	25.7
205.15851	8.5
207.13699	6.7
211.14781	6.9
213.16383	18.1
215.14296	6.0
215.17894	31.8
217.15854	33.4
217.19542	5.6
221.11472	12.1
221.15326	7.7
227.17865	4.5
229.15892	5.1
229.19466	6.6
231.17354	6.2
233.15373	7.1
235.16948	21.7
241.19519	7.6
243.17354	3.8
243.21135	6.6
247.16978	9.0
261.18469	8.9
267.20999	6.7
347.58383	3.1
387.30759	4.4
395.29330	5.3
405.31433	19.8
423.32675	20.6
425.17560	18.7
433.30811	3.8
451.31699	15.9
469.16367	48.4
469.33078	100.0
470.16757	5.9
470.33176	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03938	2.5
55.05508	9.9
55.52727	1.5
57.07078	2.6
65.03945	3.0
67.05495	16.6
69.03427	20.0
69.07061	12.7
79.05490	18.7
81.03413	4.4
81.07050	34.0
83.04979	3.3
83.08624	4.5
83.91757	1.9
85.02885	3.0
91.05468	26.3
91.05988	2.5
93.07037	41.0
93.07598	2.5
94.07401	2.3
95.04960	29.2
95.08598	49.5
97.06515	8.8
97.10146	3.1
99.04460	9.2
105.04514	1.8
105.07016	57.2
107.08581	43.4
109.06505	6.9
109.10139	26.2
111.08046	2.8
117.06989	12.7
119.08569	83.0
121.06521	4.7
121.10125	41.4
123.08062	4.4
123.11718	6.4
127.03898	3.5
128.06242	5.0
129.06999	6.6
130.07773	2.3
131.08560	34.3
133.06496	3.4
133.10117	44.8
135.08034	4.5
135.11679	15.0
137.09595	2.9
141.06870	1.8
142.07771	7.5
143.08557	23.3
144.09315	2.1
145.10106	45.7
147.08046	4.8
147.11676	28.3
149.09612	5.6
149.13248	10.5
151.11169	1.9
153.09140	3.3
155.08554	2.3
156.09329	4.6
157.10126	25.5
158.10910	3.4
159.11673	35.4
161.09610	5.0
161.13235	28.8
163.03899	5.2
163.11136	2.5
163.14801	14.6
169.10118	6.8
170.10899	2.9
171.11690	16.7
173.13258	26.9
175.11261	4.6
175.14767	17.0
177.16353	11.7
183.11699	4.3
184.12320	3.3
185.13237	9.4
187.14790	41.3
188.15015	2.7
189.12766	3.6
189.16371	48.9
191.14352	4.1
191.17960	4.3
197.13231	2.9
199.14819	24.1
201.16365	44.1
202.16814	2.4
203.14267	9.6
203.17903	18.1
205.15880	6.2
207.13853	4.4
207.17494	2.6
209.13217	1.7
211.14836	4.8
213.12903	1.8
213.16379	15.6
215.14293	5.4
215.17949	24.7
216.18279	2.0
217.15849	33.2
217.19402	3.8
221.15332	5.0
225.16486	3.3
227.18007	3.9
229.15822	5.5
229.19492	2.5
231.17430	5.7
231.21118	2.2
233.15382	5.7
235.16872	18.2
239.18007	2.9
241.19511	7.6
243.21097	5.7
245.15491	2.2
247.16869	10.1
249.18568	2.2
253.19498	3.4
255.20871	2.3
259.16931	2.9
261.18457	6.9
267.21075	6.7
282.29108	1.8
289.25449	2.1
301.21326	2.2
353.75949	1.5
361.28732	2.2
387.30368	4.2
395.29291	3.8
405.31528	18.6
421.30872	1.9
423.32599	22.8
433.31030	4.8
451.32031	12.1
469.20313	12.6
469.33087	100.0
470.33508	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	470.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.6
60.19655	1.6
65.03925	1.7
69.03423	3.8
69.16549	9.7
70.06591	2.9
81.03401	7.6
83.08620	4.3
85.02898	3.3
86.47225	1.6
88.17300	1.6
95.04972	5.5
97.02885	5.3
99.04462	1.8
100.11252	21.8
109.02893	4.1
111.04440	3.7
115.81955	1.7
121.02861	100.0
122.03200	2.3
139.03899	19.2
156.06604	1.6
179.51717	1.7
182.15411	5.5
209.16429	2.3
210.14922	4.9
210.89633	2.1
261.07562	2.7
264.31210	1.7
265.07086	15.4
283.08112	8.5
451.32565	4.6
452.32788	3.7
459.71750	1.6
469.33777	6.3
470.34073	7.1
471.35468	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	470.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69390	1.7
60.84986	1.7
61.37547	1.7
61.37852	1.7
65.03937	2.4
69.03431	2.2
69.15845	7.2
69.16245	3.6
74.38427	1.6
81.03414	7.1
85.02907	2.3
95.04957	8.4
97.02872	5.3
109.02838	2.3
121.02860	100.0
121.03754	3.5
127.03943	3.2
128.59010	1.9
131.06897	1.8
135.11650	1.9
139.03897	18.1
206.53558	1.8
265.07037	10.3
283.08096	24.6
336.09927	2.0
470.11142	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	470.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.05504	17.7
56.58757	4.4
67.05486	5.4
74.00214	4.7
79.05487	8.2
79.38504	4.2
81.03436	6.1
81.07052	40.9
82.06590	4.6
83.04980	9.7
83.08623	10.9
85.06520	4.3
92.66129	3.9
95.04937	7.4
97.02978	5.3
98.09689	26.5
99.04453	5.9
99.08064	9.1
100.07607	17.1
100.11240	30.9
108.81580	4.2
109.02895	4.9
111.04433	16.0
116.10745	21.9
121.02856	100.0
127.03896	7.5
128.07068	11.8
137.06000	11.4
139.03891	18.3
144.15125	4.2
146.92764	5.2
163.07558	4.2
182.15395	34.9
198.14900	29.1
209.16486	6.6
210.14880	51.3
226.14391	29.6
227.09097	5.7
228.15982	16.7
240.31822	5.3
245.18661	10.7
265.07050	4.9
283.08090	19.8
287.19977	5.3
298.11365	8.3
325.24725	4.4
337.21185	32.5
344.15851	5.4
344.57257	4.5
355.22226	32.9
398.70230	4.1
452.31326	29.7
470.32166	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75068	2.8
61.51788	2.5
69.03416	4.7
69.26593	14.9
81.03408	7.6
95.04975	7.1
121.02855	100.0
124.73573	2.6
127.03917	3.8
139.03894	17.5
149.02354	9.1
160.53305	3.2
182.99791	3.1
193.04973	8.8
237.07574	16.8
265.07098	16.9
283.08105	22.4
470.27664	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	470.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89043	11.0
60.25479	10.4
65.33385	11.5
69.28561	11.6
70.55169	22.9
121.02867	100.0
121.93430	12.7
139.03888	19.8
163.03889	17.7
190.05025	12.0
194.08034	11.7
283.08118	16.4
309.10712	14.0
344.15564	13.6
470.20639	21.4
471.16510	12.5
471.22141	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21234	4.8
53.60802	4.6
54.32244	4.9
55.05512	10.0
64.53651	5.0
67.05495	13.7
69.03433	5.4
69.07093	5.2
69.33398	26.3
71.04979	8.3
74.34964	4.6
79.05489	22.1
81.07063	21.8
83.04959	9.6
91.05480	63.9
93.07059	32.4
95.04953	24.0
95.08601	13.2
97.06513	7.4
105.07021	88.9
107.04938	9.8
107.08577	18.5
109.06499	14.6
112.56891	5.4
115.05451	14.4
116.06257	6.3
117.07029	53.0
119.08594	36.6
121.06501	7.0
128.06230	22.6
129.07011	52.1
130.07802	12.7
131.08560	70.9
133.06493	16.2
133.10110	34.3
135.08046	10.5
137.09633	5.4
141.06998	9.5
142.07780	13.7
143.08549	67.8
145.06456	6.2
145.10117	100.0
147.08017	12.9
147.11583	11.8
149.09633	11.2
155.06015	7.0
155.08540	26.8
156.09314	8.3
157.10133	18.4
159.11745	17.1
161.09656	23.0
161.13254	12.1
162.10202	4.8
163.11159	9.9
165.06990	5.8
169.10085	6.1
171.11707	25.0
173.09618	65.0
173.13309	7.9
175.11250	8.2
175.14719	5.7
183.11670	6.4
185.13281	25.5
187.11194	5.1
189.12735	12.1
191.10742	25.7
195.11717	11.2
201.12674	12.7
203.14308	19.9
213.12750	20.9
219.13936	6.7
231.13718	33.2
249.14911	10.6
277.14606	5.2
319.01938	5.0
440.26736	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	470.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.8
56.93610	3.6
57.03421	3.1
57.07076	4.7
67.05499	14.8
69.03394	4.1
69.07061	7.1
69.24364	3.1
69.27265	14.7
75.59494	3.1
79.05486	16.7
81.07051	25.3
83.04980	12.2
83.08611	7.2
85.06537	8.1
88.19576	3.6
91.05483	28.3
93.07035	27.6
95.04964	68.5
95.08604	23.2
97.02874	5.1
97.06526	8.7
98.23501	5.8
105.07021	100.0
107.08568	30.6
109.06536	16.3
109.10154	14.7
111.08096	4.6
116.86279	3.5
117.06996	9.8
119.06123	4.2
119.08568	58.3
121.06506	12.6
121.10130	15.3
123.08099	7.2
125.06010	3.6
129.06989	8.9
131.05260	3.1
131.08580	31.8
133.06468	6.9
133.10135	21.0
135.08044	12.2
135.11670	6.2
137.09586	8.9
142.07768	19.8
143.08557	7.2
144.09357	4.5
145.10094	40.9
147.08047	5.8
147.11679	59.1
149.09628	11.3
154.07736	3.1
156.09299	6.9
157.10117	39.3
159.07956	5.4
159.11685	42.1
160.08836	5.4
161.09546	19.8
161.13266	5.5
163.11143	5.6
171.11665	4.1
173.09660	6.1
173.13286	12.0
175.11166	82.7
177.09256	5.5
182.10947	4.7
185.56049	3.9
187.14809	27.4
189.12712	62.2
193.12228	28.5
197.13278	8.8
205.15868	10.5
215.14268	38.4
233.15327	30.4
251.16376	7.5
477.14978	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	470.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.5
57.03414	6.7
67.05495	15.3
69.07057	10.8
71.04980	4.6
79.05491	20.6
81.07051	37.2
83.04974	26.4
83.08617	5.8
85.06548	7.4
91.05465	36.9
93.07042	31.4
95.04959	58.9
95.08592	35.4
97.06519	8.2
98.23466	10.2
105.07017	100.0
105.07725	4.9
107.08570	44.9
109.06531	19.0
109.10157	18.1
117.07011	22.7
119.08568	52.9
121.06474	11.8
121.10130	22.2
123.08055	7.1
125.05989	5.2
125.09668	5.9
127.19714	3.4
129.06984	8.9
130.07765	4.5
131.08553	34.4
133.06497	5.8
133.10112	36.4
135.08054	11.8
135.11676	13.1
137.05930	5.1
137.09657	6.4
142.07750	17.8
143.08525	9.0
144.09297	6.1
145.10114	49.4
147.08038	6.8
147.11674	61.1
149.09677	6.4
156.09393	5.4
157.10123	38.0
159.11668	44.0
161.09573	17.2
161.13356	7.8
163.11201	8.2
165.12885	3.5
171.11615	4.6
173.09624	3.9
173.13231	10.1
175.11177	65.4
175.14810	3.8
176.11496	3.5
187.14818	24.3
189.12709	54.7
193.12209	23.2
197.13284	6.6
201.16444	18.3
205.15828	5.7
215.14279	24.7
215.84621	3.7
216.14629	3.8
219.17421	10.8
233.15381	31.8
251.16507	3.7
298.06161	3.3
304.99707	3.4
331.96133	3.5
337.29584	3.3
342.59793	3.8
407.11383	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	470.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34640	2.9
55.05508	14.2
58.19948	2.6
67.05502	10.6
69.07054	9.3
71.04971	3.2
79.05487	10.8
81.07053	19.3
83.04964	24.9
85.06567	4.9
91.05469	21.7
93.07040	29.6
95.04966	4.9
95.08596	22.0
101.06011	14.2
105.07009	45.5
107.08582	23.9
109.06512	7.2
109.10144	8.2
114.21104	3.6
117.07005	14.5
119.08570	38.4
121.10136	18.5
123.08079	5.4
123.11694	3.4
128.06248	3.8
129.06970	3.9
131.08569	20.7
133.10103	25.3
135.08043	4.4
135.11684	7.9
142.07765	5.8
143.08571	12.4
144.09312	9.0
145.10039	15.0
147.11699	10.9
149.13257	6.5
157.10120	20.9
159.10358	5.8
159.11678	100.0
159.12961	6.5
160.12184	3.9
161.09616	3.6
161.13223	23.4
163.11081	3.8
171.11641	5.4
173.13318	3.3
175.11269	3.6
177.12759	24.8
189.16429	18.5
191.14281	2.9
199.14818	28.5
217.15865	51.8
223.85637	2.9
235.16859	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	470.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.3
57.03423	1.8
57.07072	2.5
67.05506	9.2
69.07074	5.9
69.37687	5.7
71.08602	1.0
73.06535	2.2
73.21571	1.1
75.16779	1.3
76.67900	1.0
79.05486	7.2
80.14042	1.2
81.07044	17.0
83.04979	5.7
83.08620	1.9
85.06513	1.3
91.05461	13.7
93.07042	12.5
95.04960	2.3
95.08591	29.7
101.06008	13.8
104.46458	1.0
105.07021	49.9
107.08584	21.6
109.10146	21.6
119.07073	5.1
119.08567	39.3
121.10134	13.8
121.85389	1.1
123.11675	5.7
131.08553	2.0
133.10106	28.6
134.98120	1.7
135.11662	4.2
135.74947	1.2
145.10103	2.8
147.11668	98.1
148.12027	2.5
159.11693	2.7
161.13252	18.8
163.14780	8.0
175.14772	3.6
177.16371	2.3
203.17931	100.0
204.18279	3.3
219.49057	1.5
221.19054	2.7
453.60843	1.3
470.25497	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	470.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.8
57.07067	1.5
64.72083	0.9
67.05502	9.4
69.07050	6.4
73.06519	1.8
79.05490	5.9
81.07050	12.7
82.03056	0.8
83.04977	4.2
83.08622	2.2
91.05475	9.6
93.06506	1.4
93.07034	11.1
95.04959	1.4
95.08598	26.0
99.08070	0.9
101.06010	14.5
105.07020	46.9
107.08584	15.8
109.10152	16.7
117.07042	1.4
119.07052	3.8
119.07741	1.6
119.08572	31.1
121.10138	9.9
123.11670	4.7
131.08583	2.3
133.10114	25.3
135.11670	3.0
145.10106	2.6
147.11671	84.7
148.12027	1.6
151.11137	1.3
159.11710	1.5
160.12488	1.5
161.13260	14.9
163.14793	5.3
165.12802	1.1
175.14825	2.7
203.17928	100.0
204.18286	3.4
221.18872	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11769	1.0
53.03929	1.1
55.05507	10.4
56.35369	0.8
57.03437	1.2
57.07074	2.2
57.07334	0.9
58.35178	0.8
67.05488	6.7
69.07064	5.6
70.77365	1.1
70.77689	1.2
73.06551	1.2
73.10826	0.8
79.05491	3.2
81.07049	13.9
83.04961	6.0
83.08605	2.7
90.65977	1.0
91.05464	8.9
93.07041	10.9
94.81493	0.8
95.08594	25.6
99.05785	1.0
101.06007	16.5
105.04568	1.1
105.07018	42.9
107.08582	17.8
109.10148	16.5
117.07033	1.1
118.97866	1.1
119.07083	5.6
119.08570	32.1
121.10130	12.4
123.11692	7.1
131.08566	1.2
133.10114	23.0
135.11713	3.5
140.45587	1.1
145.10089	2.2
147.11670	85.2
148.12004	2.1
149.13307	1.0
151.11221	1.1
160.12466	1.2
161.13248	14.7
162.13597	0.9
163.14796	5.6
175.14828	3.0
177.16435	1.0
203.17926	100.0
204.18333	4.0
221.19006	3.3
246.95351	1.0
310.33478	1.0
377.61618	1.1
470.34515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31936	0.5
55.40151	0.5
66.34038	0.5
67.05494	0.6
67.16901	0.5
71.41241	0.6
79.05511	0.5
81.03423	0.5
81.07052	1.0
85.02911	0.9
85.06567	0.5
87.00767	0.7
91.05475	0.7
93.07027	0.9
95.08603	1.2
100.63293	0.6
106.07423	0.5
107.08580	0.9
109.10140	0.8
119.08550	0.6
121.10147	0.7
133.10147	1.0
165.07016	0.7
167.03229	0.6
177.16490	0.6
182.19710	0.5
183.08073	0.7
185.04193	0.7
205.16142	0.6
225.23160	0.5
227.05194	2.7
271.04276	4.5
343.40042	0.5
367.11725	1.0
385.12543	5.3
386.39639	0.5
407.01959	0.5
409.12482	1.8
427.13620	37.5
428.13852	1.5
471.12592	100.0
472.12988	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	471.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03770	1.0
59.03735	1.2
65.34892	0.5
69.03419	1.9
69.34718	2.4
73.04041	0.6
79.05494	1.2
85.02895	1.1
88.88644	0.5
89.03903	9.4
95.04948	0.5
97.02835	0.6
98.23518	0.6
100.11234	1.3
101.05875	37.5
107.04964	2.9
109.02868	0.7
116.83591	0.5
117.02575	0.7
117.03374	10.4
127.03877	1.6
135.04404	19.7
145.02838	12.5
145.07597	0.8
147.05128	16.7
163.03885	100.0
164.04205	2.2
181.04826	0.6
182.15590	0.6
200.07118	0.6
210.14946	0.5
210.25273	0.5
239.87816	0.5
256.05917	0.8
273.08521	0.8
307.08090	2.1
309.10379	12.0
309.16367	1.1
310.52658	0.5
325.09070	2.4
415.30307	0.6
471.22427	0.8
471.35443	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07562	0.5
50.08207	0.5
55.01855	1.8
63.02380	1.1
69.94751	1.6
75.27422	0.6
79.05476	2.0
85.94138	0.6
88.42080	0.6
89.03905	9.0
91.05459	2.1
95.04957	1.6
96.10464	0.6
98.04472	0.5
107.04940	3.7
117.03370	11.6
119.04916	2.3
121.06535	0.8
124.90324	0.7
133.02875	0.6
135.04405	21.2
138.05447	0.9
138.55217	0.6
140.07042	0.8
145.02832	14.7
146.03146	0.6
146.06027	1.0
147.04442	1.0
152.07053	0.7
160.07530	0.7
162.05438	1.4
163.03888	100.0
164.04195	1.6
164.07071	0.9
166.08635	2.9
168.06625	1.0
172.03911	10.3
174.05428	1.0
175.06242	8.6
176.07040	18.1
186.05469	1.6
188.07053	7.1
189.07796	0.8
190.04976	4.8
190.08578	2.2
192.06555	2.2
200.03409	16.8
200.07082	4.9
202.05119	0.8
202.08662	0.9
204.06538	32.3
205.07043	0.9
213.04242	0.9
214.04996	1.7
218.04482	6.8
218.08110	2.5
228.06517	8.0
229.06992	0.6
229.09737	0.9
230.08138	2.9
231.07640	0.8
232.06033	17.7
245.09195	4.1
246.07588	38.6
247.08125	1.1
247.10797	3.4
249.08656	8.5
249.10997	1.0
249.20734	0.6
250.07060	12.5
250.09587	0.8
256.05991	2.9
263.10245	10.4
273.08627	9.8
274.07037	8.2
289.44525	0.6
291.09726	14.8
292.08099	27.3
293.08481	0.8
309.10764	61.6
310.11127	2.5
322.07227	0.6
366.09628	1.4
454.05164	1.0
454.11304	15.6
455.11288	1.3
471.13882	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	471.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43753	0.7
71.32951	0.9
78.20596	0.8
86.53294	1.0
120.82115	0.8
132.48090	0.9
147.04483	1.1
250.59567	1.1
453.13647	4.5
471.14719	100.0
471.21149	6.3
472.15308	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	471.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36862	0.4
51.52904	0.3
69.81326	0.3
83.04930	0.5
84.12502	0.4
86.09648	0.6
86.11282	0.4
96.49808	0.4
98.22713	1.2
119.04985	0.4
123.04168	5.4
127.00039	0.8
147.04390	1.7
147.11662	0.5
163.03856	0.5
167.03163	1.5
185.04156	0.5
209.45747	0.4
223.09381	100.0
224.09694	2.5
227.05232	2.1
264.12018	0.5
271.04205	30.7
272.04559	0.7
327.10489	0.8
365.34174	0.4
371.09473	4.1
371.56024	0.4
380.14615	0.4
380.20187	0.4
385.14618	1.3
421.61163	0.4
427.15707	16.8
428.16043	1.0
471.14685	58.2
472.14679	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18213	1.3
59.70609	1.7
67.05498	2.5
69.03431	1.6
70.06596	4.2
70.34727	1.4
70.44215	3.4
79.05495	1.5
81.03413	1.8
81.04945	1.6
81.07042	2.1
82.61478	1.4
85.02918	1.9
91.05479	4.1
93.07062	2.9
95.08631	2.4
105.07060	1.9
107.08595	2.2
119.04966	2.1
119.08594	2.5
120.24660	1.5
121.10149	1.5
123.04192	5.0
127.00040	9.0
147.04424	4.7
163.03923	4.9
167.03181	4.3
223.09392	100.0
224.09689	2.6
225.33156	1.5
264.12198	1.7
271.04260	27.8
331.92242	1.5
333.39035	1.6
334.02545	1.7
371.09628	3.1
386.34680	1.9
427.15723	12.1
471.14771	59.6
471.21469	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
80.95908	1.0
96.90385	1.0
111.05572	1.7
119.65421	1.1
307.19046	1.1
339.85559	1.4
471.14734	100.0
472.14584	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	471.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13526	0.8
70.06593	0.9
79.36553	0.7
85.02920	1.3
89.98676	0.8
100.11237	2.6
105.79401	0.7
147.04346	1.0
214.95940	0.7
268.13977	0.9
308.27774	0.9
342.37759	0.9
345.07013	0.7
400.24634	0.7
427.61331	0.9
462.73883	0.7
470.36963	2.1
471.14667	100.0
472.14868	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	471.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65429	0.4
59.03140	0.4
69.20524	2.0
69.20924	1.0
70.06586	0.8
77.70162	0.4
79.87225	0.5
80.83606	0.4
90.38787	0.4
147.04390	0.9
200.98453	0.4
231.30780	0.5
237.00610	0.6
252.97917	0.9
335.83917	0.5
471.14679	100.0
472.15073	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	471.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13567	0.5
60.77080	0.5
62.38940	0.4
65.75297	0.4
67.08787	0.5
69.89750	0.5
70.91840	0.5
73.87257	0.4
95.06074	0.6
104.25229	0.4
111.05540	0.9
121.86790	0.5
128.19168	0.4
141.06570	0.9
159.07616	1.0
169.04883	0.5
203.56177	0.5
222.20714	0.4
229.79364	0.4
238.03918	0.5
317.08444	3.2
339.10522	0.7
471.14697	100.0
472.15057	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	471.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88338	0.4
60.34701	0.3
62.87489	0.4
66.98703	0.4
67.14898	0.3
69.70141	0.6
69.70504	1.3
73.40074	0.3
82.28048	0.3
83.83166	0.3
88.28225	0.3
88.83082	0.3
102.79883	0.3
117.07104	0.3
126.01765	0.4
147.04408	1.4
273.00525	0.3
363.41797	0.3
456.12338	0.4
471.14682	100.0
472.15018	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	471.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18747	21.0
61.99557	17.9
70.39357	50.0
70.39722	29.2
79.05496	18.9
95.20831	21.5
105.07009	27.3
107.08486	36.1
119.08601	29.4
133.10077	28.1
162.99014	20.4
173.13248	23.1
216.62779	23.6
271.45010	20.5
313.91510	23.3
364.76093	19.7
406.05060	34.5
431.76788	21.9
453.24469	45.6
471.17569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2203
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
53.21182	0.2
60.98316	0.2
69.07052	0.2
70.09272	0.4
80.24747	0.2
85.02905	0.3
95.08649	0.2
97.02856	0.2
119.89698	0.2
164.82281	0.2
238.55652	0.2
259.07846	0.3
309.16684	2.1
377.56171	0.2
443.74927	0.2
471.21957	100.0
472.22281	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	471.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04037	0.5
55.05505	3.9
57.03423	1.4
60.03322	0.5
61.03167	0.6
61.21265	0.6
67.05159	0.8
67.05498	7.7
68.64609	0.5
69.00406	0.7
69.07059	4.1
79.05484	2.2
81.07047	7.4
83.08600	1.8
91.05489	1.7
93.07024	2.4
95.08592	6.0
97.10161	0.9
105.07003	0.9
107.08575	2.2
109.10134	2.4
119.08533	0.8
121.10167	1.0
123.11719	0.7
133.10170	0.6
134.98172	22.9
162.82283	0.5
176.99287	1.0
178.97145	0.5
191.05084	0.6
209.01849	3.8
337.27362	7.5
346.40039	0.6
359.25687	2.8
377.26526	3.6
439.22186	2.3
453.23639	2.5
471.24774	100.0
472.24951	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	471.3468
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.16870	7.4
55.05497	12.6
55.70102	8.8
61.20667	8.0
67.05512	19.1
69.07072	21.9
71.43216	6.9
74.81196	7.4
76.27638	8.1
79.05486	18.9
81.07051	42.3
91.05481	23.9
93.07034	46.3
95.08604	74.7
105.07019	43.3
107.08585	81.5
109.10155	45.3
117.07042	8.8
119.08569	78.2
121.10103	50.8
123.11703	9.9
125.09625	10.0
127.74866	8.8
131.08565	36.3
133.10130	56.2
135.08118	8.8
135.11674	32.0
141.16208	8.7
143.08537	9.8
145.10045	42.9
147.11670	49.3
149.13261	15.0
157.10107	8.2
159.11647	39.4
161.13274	37.2
163.14890	22.9
171.11565	9.0
173.13266	39.7
175.14825	30.6
177.16373	21.9
185.13173	13.1
187.14787	61.0
189.16356	36.3
191.14320	100.0
191.17946	15.9
193.12175	10.0
193.15825	8.1
199.14879	11.1
201.16362	41.1
203.14314	13.7
203.17920	73.1
205.15906	17.6
205.19505	20.3
213.16304	16.6
215.17949	17.3
219.17403	15.6
221.15376	57.9
229.19524	12.5
247.17146	8.3
249.18481	25.7
389.31949	11.5
407.33026	35.6
425.34042	46.9
435.32413	23.6
453.33307	21.2
471.14221	15.1
471.34619	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
63.29610	16.0
67.05501	29.1
81.07048	48.7
82.84519	19.5
91.05470	56.7
93.07044	75.8
95.08604	56.3
101.54070	20.6
105.07006	42.9
105.71566	18.1
107.08611	91.3
109.10140	71.1
117.31194	19.7
119.08557	99.0
121.10146	78.1
131.08560	40.5
133.10141	78.0
135.11678	37.7
143.08527	17.6
145.10129	77.7
147.11717	55.3
159.11688	75.0
161.13341	31.9
163.14819	34.3
173.13196	30.6
175.14806	43.5
177.16342	34.5
180.44501	20.8
187.14815	67.1
189.16365	63.3
199.14789	28.8
201.16371	74.9
203.17961	36.5
203.78348	18.8
205.15814	82.6
213.16400	19.7
215.17799	18.7
223.16930	87.9
247.16939	43.8
256.50967	26.0
325.18982	18.9
376.48602	19.9
407.33072	53.2
425.33792	37.6
430.44312	18.8
435.32187	29.0
453.33728	31.6
471.34778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.05506	15.5
57.07071	0.9
67.05480	1.1
69.03436	0.3
69.07064	0.5
69.25273	0.3
69.45572	0.3
70.06588	2.5
72.08138	0.4
79.05470	0.5
81.03397	0.4
81.04541	1.0
81.07049	0.8
82.06576	1.7
83.04961	1.7
83.08614	11.8
84.08136	1.2
84.08904	0.3
85.02899	0.5
85.06528	2.7
86.09692	0.9
89.03924	0.6
91.05463	0.5
95.04967	0.6
97.04020	0.8
97.06516	0.5
98.09687	1.3
100.07605	4.7
100.11247	89.4
100.78010	0.3
101.06008	0.8
101.11614	1.3
102.06663	0.6
104.08192	0.3
110.06033	1.1
111.03666	0.4
111.04433	7.2
112.04646	0.3
112.07613	2.2
117.03349	0.8
117.13906	1.7
123.52534	0.3
126.09155	1.8
127.03918	0.5
127.08650	0.6
128.07068	5.5
135.04384	0.8
139.08624	2.0
140.07063	3.0
145.02821	1.6
147.04375	0.5
147.11676	0.6
149.05939	0.4
149.13217	0.3
163.03870	2.8
163.11234	0.4
164.14351	0.7
166.15889	0.3
168.13817	0.3
177.05476	2.3
182.15388	20.3
183.15782	0.5
191.14268	0.3
192.13853	0.7
193.12276	0.3
193.14293	0.2
198.66936	0.3
202.35002	0.3
203.08147	1.6
209.16476	12.9
210.14868	23.9
211.15198	1.0
213.06555	1.0
226.19128	2.1
227.17522	3.8
228.15868	1.9
231.07703	1.0
245.18582	2.7
277.08188	4.6
291.19485	0.3
326.27982	1.2
336.22833	0.6
337.21268	1.1
343.30573	1.5
435.33084	1.1
453.34256	3.7
454.34482	0.4
471.35367	100.0
472.35651	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	471.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.9
55.25593	0.3
57.07068	0.5
58.15388	0.3
62.61338	0.4
67.05491	0.6
69.07053	0.8
70.06587	1.7
71.05676	0.4
82.06577	1.9
83.04972	1.4
83.08607	10.4
84.08125	0.6
85.06526	0.7
86.09702	0.4
97.06552	0.4
98.09688	1.1
100.07613	4.6
100.11246	76.8
101.06010	0.4
101.11586	1.2
110.06032	1.1
111.04420	5.8
111.05167	0.4
112.07597	1.5
113.28542	0.4
117.13926	1.9
120.04815	0.3
126.09143	1.0
127.08676	1.0
128.07051	5.5
128.64197	0.3
139.08669	2.0
140.07043	1.9
164.14459	0.5
166.15881	0.4
182.15392	19.4
183.15770	0.6
192.13815	0.7
209.16463	11.0
209.18338	0.7
210.14871	22.0
211.15215	0.5
226.19154	1.6
227.02176	0.4
227.17523	3.4
228.15950	2.1
245.18607	2.6
291.26923	0.4
308.27063	0.5
326.28024	0.9
336.22885	0.6
337.21390	0.7
343.30612	1.1
355.22446	0.6
427.15738	0.8
435.33371	0.7
453.34348	3.9
471.13150	2.4
471.35367	100.0
472.35666	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	472.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.9
56.05025	1.3
67.05489	1.6
69.27319	0.7
70.06583	7.1
70.47114	1.4
79.05479	2.6
82.06586	4.6
83.07359	9.5
84.08144	6.3
89.03908	10.9
91.05482	1.8
95.04939	0.9
102.57169	0.7
105.07016	1.1
107.04939	3.0
117.03372	15.2
117.07015	0.9
119.04943	1.5
123.04346	0.8
125.80626	0.7
127.03929	0.8
128.06215	0.8
129.06952	1.0
131.08534	2.0
133.02863	1.4
133.06396	0.7
133.10176	0.7
135.04411	27.1
136.04718	0.8
136.56563	0.7
141.07016	2.6
143.08607	0.8
145.02844	19.1
145.03897	0.8
145.06396	1.1
147.04372	4.9
149.02356	2.6
157.06520	1.0
159.08087	4.1
161.05975	2.2
163.03894	100.0
164.04259	3.0
169.06476	3.7
171.04420	2.3
171.08109	1.1
173.06007	1.7
175.03899	0.7
176.10632	1.1
177.01750	1.0
181.04944	1.1
186.05453	1.1
186.09126	6.7
187.03903	2.2
187.07529	9.2
189.01787	9.9
189.05438	4.4
189.12708	1.1
191.03374	3.0
191.07045	0.9
193.05011	1.7
197.05910	2.3
199.04073	1.2
199.07539	1.3
203.07076	1.2
204.10172	4.7
205.04916	0.9
205.08620	1.1
206.04575	0.9
212.62337	0.8
214.08601	7.2
215.07053	5.2
215.09154	1.1
217.04926	2.5
217.08635	0.9
218.04495	1.4
218.08101	1.2
221.04442	14.4
222.11299	1.3
224.07108	0.9
225.05353	0.8
229.08521	0.8
231.06511	27.7
232.07056	1.1
232.09619	10.3
233.08191	1.7
233.10208	0.8
242.08054	4.7
243.06512	2.5
245.15259	0.8
246.11287	2.1
247.09645	2.4
248.12802	0.9
250.10753	5.2
251.11301	0.7
253.48335	0.7
259.08502	2.6
260.09152	18.0
274.10712	3.1
275.09265	1.6
278.10281	3.0
292.11774	83.1
293.12103	3.3
310.12823	62.4
311.13098	1.4
472.15997	68.0
473.16611	5.1
473.27344	0.9
473.41568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03942	11.0
53.21356	0.9
55.01865	11.4
57.03439	6.1
61.02923	9.5
68.99785	3.7
69.03421	33.5
70.09084	1.9
70.09421	1.8
71.04986	5.9
73.02911	11.3
79.05491	2.0
81.03411	38.9
81.07062	1.3
83.01343	1.3
83.04981	1.8
84.65607	1.0
85.02897	100.0
85.06547	3.7
86.03275	1.0
87.00823	43.5
87.04473	1.2
91.03959	3.8
91.05467	1.5
95.04971	2.7
97.02883	62.3
97.06501	1.5
98.03279	1.1
99.04448	20.5
105.01859	61.5
105.03382	23.1
105.04508	1.4
109.02866	36.6
111.04438	1.2
115.03975	1.3
117.01829	5.0
123.04437	3.5
127.03904	99.2
128.04292	1.4
129.01810	5.3
145.04942	60.7
147.02905	4.4
147.07965	1.3
159.02875	27.0
163.03935	1.4
165.09152	1.0
177.03960	2.8
189.03925	2.0
189.09088	4.7
193.08551	1.5
211.09703	2.3
213.03978	3.9
231.04964	23.6
249.06110	5.4
280.32108	1.1
315.10736	1.2
471.21997	1.5
472.22290	40.0
473.22693	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10108	5.0
55.05507	8.4
67.05493	10.5
69.07061	8.9
71.04977	4.7
79.05486	22.2
81.07044	20.0
82.31614	4.6
83.04967	8.8
91.05470	44.3
93.07034	27.9
94.89057	5.1
95.04965	100.0
95.08575	18.1
97.06511	20.7
98.23486	10.7
103.05443	5.1
105.07027	68.8
105.12674	4.6
106.07353	5.2
107.08559	22.2
109.06512	15.1
109.10125	9.8
110.90563	4.2
115.05454	7.9
117.06990	27.8
119.08558	31.6
120.39788	4.6
121.06500	16.5
121.10081	13.1
123.08067	7.7
128.06190	17.3
129.06998	22.8
130.07751	6.4
131.08551	35.9
133.06474	38.4
133.10085	21.4
135.08052	11.2
137.09645	7.0
141.06998	5.0
142.07736	10.9
143.08553	33.7
145.10101	62.5
147.08017	12.0
147.11685	10.9
149.02315	57.6
149.03412	5.8
149.09669	12.0
151.07501	13.4
155.08528	8.7
157.10095	16.3
159.11667	12.6
161.00723	5.6
161.09618	10.0
161.13258	7.9
163.11136	10.7
165.06847	5.7
165.09087	10.1
171.11676	15.6
173.09618	43.1
175.11206	5.2
175.14795	8.0
185.13249	18.4
187.11264	5.2
189.12733	8.8
191.10648	24.3
193.04951	50.8
195.11591	6.6
203.14275	11.6
209.11679	6.0
210.14897	6.1
213.12883	10.2
231.13841	21.7
235.17062	5.4
237.07492	5.9
249.14821	8.1
259.09567	5.9
276.85538	4.6
281.10147	9.3
297.03934	6.0
341.06558	8.5
385.09140	34.3
422.69998	5.3
429.11908	13.6
473.14224	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	472.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34113	2.3
53.03953	2.9
53.09049	2.6
55.05507	18.6
57.03427	7.9
57.07062	4.3
65.03925	13.2
67.05502	15.8
69.07063	10.4
69.74985	8.5
71.91335	2.6
72.68095	3.2
73.06559	8.7
79.05479	16.0
81.07050	29.7
83.04970	17.6
85.06526	9.6
91.05468	28.0
93.07033	34.5
95.08600	39.5
97.06511	3.2
98.23482	3.8
99.08082	2.5
101.06016	67.0
105.07028	39.5
107.08590	29.4
107.28408	3.1
109.10139	13.4
111.08079	4.7
117.07025	15.6
119.07082	16.9
119.08582	26.5
121.02847	4.5
121.10139	44.4
123.08076	6.3
125.09644	3.9
130.07774	6.5
131.08556	22.5
133.10130	32.6
135.11688	33.0
139.03957	4.7
143.08505	2.8
145.10127	58.9
147.11620	7.5
149.02345	100.0
149.03436	14.6
149.09618	3.3
149.13235	4.3
159.11685	31.4
161.13240	20.1
163.11182	8.6
170.89355	3.0
173.13222	5.2
175.14789	5.1
177.12769	3.5
186.14021	10.8
189.16359	11.9
191.17941	7.9
193.04980	25.0
201.11359	6.4
201.16382	86.2
202.16724	4.8
219.06302	2.6
219.17439	53.4
226.08411	2.9
268.71915	3.2
298.28799	3.2
372.38843	2.7
385.09390	2.7
403.10181	18.0
429.11639	24.9
473.14392	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	30.1
55.54174	3.9
57.03431	8.4
57.07079	6.7
67.05499	21.5
69.07076	11.2
71.04977	4.3
73.06552	10.5
73.44130	3.4
79.05498	24.9
81.07050	43.8
83.04981	23.3
85.06554	8.1
91.05470	38.5
93.07036	46.9
95.04996	6.1
95.08598	52.4
101.06014	100.0
105.07021	63.7
107.08595	36.0
109.10143	20.4
115.05518	3.9
117.07010	22.4
119.07069	29.5
119.08566	34.3
121.10142	72.2
123.08068	6.9
131.08551	36.8
133.07655	3.2
133.10123	40.4
135.11674	46.2
135.12657	4.6
145.10121	81.3
146.10565	3.6
147.11697	10.9
149.09601	6.2
149.13232	4.2
155.48381	3.3
159.11682	42.8
161.13249	21.4
163.11150	9.2
173.13257	5.9
175.14899	6.7
186.14049	15.2
189.16351	18.2
191.17992	13.4
201.11259	7.4
201.16364	99.1
202.16513	4.9
213.74132	3.2
219.17435	59.5
249.49754	3.7
494.01712	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	472.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	76.4
67.05511	30.2
69.07069	28.8
71.04984	17.9
71.43523	11.2
73.06560	18.3
79.05479	28.7
79.63117	11.1
81.07054	66.5
83.04977	91.0
85.06542	14.5
91.05466	35.6
92.95104	9.9
93.07047	60.9
95.08598	88.8
99.08095	12.2
101.06033	100.0
105.07018	59.7
107.08589	74.6
108.25182	9.8
109.10174	43.0
110.34408	11.7
117.07005	10.3
119.07082	13.0
119.08549	70.3
121.10123	76.2
123.11697	16.4
131.08554	20.0
133.10129	38.2
135.08023	10.9
135.11696	41.0
145.10121	35.9
147.11707	14.2
149.13243	18.8
151.30684	10.4
159.11717	45.7
161.13252	43.2
163.11162	15.1
170.80792	11.3
191.17943	26.8
201.11226	12.3
201.16400	35.3
219.17456	24.7
237.18530	60.9
243.17265	12.3
273.14566	27.5
287.09161	11.2
340.91690	13.0
384.64328	10.8
422.18188	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	472.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	21.9
59.24534	6.1
67.05484	13.2
69.06326	13.5
69.06733	38.4
69.07063	9.5
73.06563	6.2
79.05505	13.9
81.07042	28.5
83.04975	15.7
91.05477	19.9
93.07026	42.3
95.08601	23.4
95.86518	6.7
98.02480	6.3
101.05999	43.8
105.07031	32.2
107.08584	36.6
109.10116	13.3
117.07024	10.8
119.07058	17.1
119.08535	13.5
121.10114	12.2
130.07732	8.3
131.08612	14.8
133.10115	11.7
135.11682	100.0
145.10112	67.1
159.11667	30.7
163.11153	33.1
173.13324	7.4
191.17845	13.6
195.64111	7.0
201.16365	88.0
219.17491	31.2
223.09404	91.7
273.14597	56.1
284.56808	7.4
303.77756	6.5
444.79059	6.7
473.25012	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	472.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05964	5.0
54.22980	5.1
55.05524	10.4
57.07075	6.5
57.42902	5.9
62.89624	6.3
67.05499	16.5
69.76606	19.5
69.76942	6.2
79.05490	11.7
81.07057	25.4
83.04964	9.5
85.06538	9.7
91.05476	21.2
93.07062	30.2
95.04973	11.0
95.08617	27.3
101.06011	23.8
105.07022	67.0
106.07378	12.1
107.08595	23.1
117.07033	9.6
119.07053	9.5
119.08555	42.8
121.10097	15.8
123.08063	6.7
129.06996	7.3
131.08560	31.8
133.10110	17.1
145.10129	53.0
146.10454	11.0
147.11699	20.2
157.10078	11.9
159.11699	71.1
160.12105	5.9
161.13268	40.0
173.13173	6.2
175.11211	11.2
176.11555	9.5
201.16364	55.8
202.16658	7.4
219.17390	88.9
223.09367	40.0
230.54597	6.5
234.15938	5.7
273.14551	100.0
379.90469	6.1
452.73746	6.7
472.23608	9.5
473.25021	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42064	1.6
69.03400	1.7
71.41035	1.3
81.03409	5.9
85.02888	1.5
91.05456	10.2
97.02902	1.5
105.56130	1.3
119.04937	19.9
145.45818	1.5
147.04390	100.0
148.04764	2.6
163.03841	1.6
165.05496	3.9
291.08655	7.6
309.09784	2.5
453.68091	1.6
463.81305	2.3
472.31519	2.6
472.81589	4.6
473.18378	1.5
473.31985	2.9
474.38641	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94587	5.5
51.29168	4.8
53.03946	5.9
55.05511	8.3
57.03448	5.5
67.55628	5.3
69.03426	19.2
69.07071	10.1
69.76008	5.0
72.08157	16.5
79.05511	11.3
81.03416	13.6
81.07054	14.2
82.39329	5.1
83.04966	9.5
85.02917	30.8
86.09696	39.0
87.00821	12.0
91.05478	14.6
93.07039	13.5
95.08600	11.3
97.02909	18.3
99.04472	10.8
100.16024	6.1
101.05949	6.7
105.01862	10.3
105.07061	29.1
106.82938	5.3
107.08608	24.1
109.02885	21.2
109.06516	39.9
109.10138	8.4
115.05432	4.9
119.08577	38.2
121.06488	6.7
121.10155	30.0
123.08063	17.2
127.03922	23.6
129.07028	6.1
131.08537	7.3
133.06493	7.4
133.10161	15.5
135.08043	47.9
135.11713	6.8
137.05969	16.6
137.09595	80.3
143.08604	6.5
145.04915	9.2
145.10132	10.1
147.08066	19.0
147.11662	22.7
149.09601	47.6
153.09097	22.5
156.09334	9.2
159.02856	8.5
161.13263	34.4
163.03888	23.1
163.11223	7.2
165.09245	5.1
165.12770	16.1
171.11742	8.2
179.14316	11.2
189.12723	62.7
207.13773	93.5
207.15572	7.8
225.14777	73.2
275.84512	5.2
296.88376	5.8
311.14697	11.4
350.53674	6.5
473.19916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71461	1.1
53.03943	1.9
55.01871	1.7
55.05505	3.1
57.03431	2.0
67.05509	2.5
69.03425	6.7
69.07038	1.4
69.88390	1.3
69.88729	3.3
70.06594	5.3
71.40427	1.0
72.08161	5.5
79.05485	1.1
81.03422	3.7
83.04963	1.5
84.04478	1.2
84.08139	1.3
85.02910	12.4
86.09705	12.6
87.00832	3.7
87.10043	1.4
89.03913	1.2
91.05488	3.2
93.07005	1.1
95.08572	2.2
97.02890	3.3
98.23439	1.1
99.04427	2.3
105.01881	3.1
105.07007	2.1
108.84958	1.1
109.02873	3.8
109.10175	2.8
109.83130	0.9
117.03344	1.2
119.08565	3.9
120.08163	1.2
121.06523	1.3
121.10156	1.9
123.08067	3.7
127.03931	6.2
133.10167	2.4
135.04308	1.5
137.05981	2.8
137.09608	8.4
140.93654	1.0
145.02902	1.4
145.05005	2.1
149.09605	4.5
149.72389	1.2
151.07516	3.8
151.11189	1.3
151.72031	1.0
153.09106	2.3
159.02910	3.0
161.13274	1.7
163.03877	8.1
163.11169	4.1
164.04218	1.5
165.09109	100.0
166.09499	2.6
174.10397	2.1
189.12686	9.6
207.13789	33.4
207.58688	1.0
225.14861	6.9
229.15495	1.7
267.10144	1.1
311.13052	1.7
473.17700	4.4
474.18820	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73827	4.8
55.05505	14.2
56.06211	4.0
56.67701	5.5
57.07088	4.9
62.95829	4.1
67.05497	23.8
69.03432	16.3
69.07056	5.3
69.20748	20.6
69.21153	10.3
70.06580	13.8
71.72060	4.4
72.08160	8.4
72.90555	4.5
79.05481	5.0
81.03413	14.8
81.07038	6.5
81.17075	4.0
83.05033	4.6
85.02906	19.7
85.06545	10.2
86.09699	28.8
87.00821	12.7
91.05502	11.0
93.07066	12.0
95.08604	78.3
97.02889	14.0
98.97530	4.2
100.11255	15.8
101.11579	5.2
105.01889	10.5
105.07024	18.2
107.08585	14.4
109.02876	11.5
109.06520	4.6
112.59451	4.2
113.05999	14.9
117.03372	9.8
119.04922	7.1
119.08575	22.0
121.06503	4.7
121.10124	10.8
123.08067	35.5
127.03908	15.8
133.10147	10.2
135.04419	7.4
135.08031	6.5
135.11729	11.6
137.09599	7.5
145.02849	12.3
147.04424	19.5
147.11632	9.7
149.09602	38.6
159.11700	4.5
161.13293	10.8
163.03928	12.4
163.11203	10.4
165.12796	9.7
177.05498	17.4
183.15678	4.7
189.12698	21.2
204.35767	4.1
207.04315	19.8
207.13770	100.0
225.11029	5.1
225.14772	5.0
261.14493	6.9
293.17160	11.6
364.47964	5.0
472.35587	25.2
473.17035	21.9
473.23270	75.4
473.35394	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	473.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79343	1.8
67.05493	2.9
70.82237	3.3
71.53474	1.9
75.14082	1.5
77.71049	1.4
79.05475	2.8
81.07053	2.9
91.05453	4.0
93.07030	4.4
105.07040	5.2
107.08575	2.6
113.11892	1.5
117.07034	2.7
119.08598	6.9
129.07071	1.8
131.08588	4.6
132.34615	1.6
135.50047	1.6
143.08693	1.6
144.09285	1.9
159.11668	22.2
165.09105	3.7
175.02785	1.7
239.06764	77.1
273.12485	100.0
274.12814	3.1
473.22952	69.5
474.23154	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.5
73.40320	1.3
81.07059	2.7
87.79910	1.4
88.51415	1.3
93.07022	2.0
95.08588	2.3
105.07021	3.4
107.08616	2.0
119.08576	3.6
132.55916	1.3
133.10104	3.0
157.10094	1.5
159.11713	1.6
164.05020	1.4
175.02744	4.7
193.03810	1.8
195.16196	1.3
202.76930	1.3
239.06787	100.0
345.86893	1.4
371.94061	1.3
373.16635	1.8
405.51584	1.4
473.24640	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	473.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64559	0.7
79.05473	1.0
91.05476	1.4
93.07044	1.2
93.73674	0.7
95.04960	1.7
95.07411	0.6
95.08590	1.3
105.06343	0.7
105.06992	3.5
107.08566	0.7
117.06931	0.8
118.10225	0.7
119.08578	1.8
123.04181	5.0
131.08531	1.3
133.10112	1.0
142.07788	1.4
147.11638	1.8
149.02335	29.3
149.03424	2.4
150.02760	0.8
157.10176	1.0
175.11130	0.8
177.05536	1.1
180.02031	0.7
193.04941	20.7
193.06590	1.5
219.06406	1.0
223.09390	100.0
224.09697	3.0
237.07635	1.2
250.57864	0.7
264.12064	0.7
269.04684	0.8
273.14581	49.8
274.14838	2.1
281.10056	3.2
313.06976	1.1
341.06491	3.3
359.07474	2.6
385.09140	12.5
386.09528	0.9
389.28677	0.7
429.11710	4.9
473.14490	13.1
473.24966	14.7
474.14642	2.0
474.25223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01557	0.8
69.50560	0.7
70.35516	1.5
81.07047	1.6
85.64996	0.8
91.05482	1.2
93.07016	1.1
95.04951	1.4
95.08562	1.0
98.23383	0.8
105.07005	3.4
107.08516	0.9
119.08549	2.0
121.10073	0.9
123.04169	4.5
131.08549	1.7
133.05460	0.8
142.07828	0.8
145.10175	1.2
147.11693	1.1
157.10132	1.3
163.27919	0.7
181.00684	0.7
223.09392	100.0
224.09729	2.4
267.72263	0.7
273.14584	53.5
274.14951	1.3
358.94031	0.7
412.54236	0.7
448.80243	0.8
473.25049	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	473.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86171	0.5
61.83708	0.5
67.05492	1.1
69.54341	2.4
79.05478	1.5
81.07042	1.7
91.05483	3.1
93.07021	2.4
95.08587	1.2
105.07040	4.0
107.08604	1.0
108.97837	0.6
117.06966	2.3
119.08556	2.6
123.04148	2.7
129.07004	0.9
131.08548	2.1
142.07767	1.8
145.10059	1.7
147.11691	1.1
148.10114	0.7
149.02327	0.9
157.10114	2.9
175.11150	1.1
177.12715	0.8
193.04852	0.6
223.09377	55.8
224.09689	1.5
264.11966	0.8
273.14569	100.0
274.14865	3.5
314.17154	1.0
357.16559	0.6
432.72867	0.6
473.25061	11.6
474.25275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05466	0.8
79.05475	1.4
80.40108	0.7
80.76460	0.7
81.07027	1.4
83.04961	0.7
91.05470	2.3
93.07014	0.9
95.04893	0.9
95.08563	1.2
105.07006	3.2
107.08569	2.1
109.06480	1.1
117.06975	0.7
119.08573	1.8
121.06506	1.8
123.04154	3.2
131.08514	0.8
133.10161	0.9
142.07729	1.4
145.10178	1.0
147.11674	0.8
149.02255	0.7
157.10120	0.9
200.38049	0.7
223.09389	100.0
224.09770	2.3
256.26370	0.9
264.12085	0.9
273.14584	64.1
274.14932	2.1
291.15567	0.9
314.17328	3.0
328.86807	0.8
473.25037	36.7
474.25287	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.251
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81232	0.5
70.42208	0.9
91.05499	0.8
95.08594	0.9
105.07021	1.3
119.08548	1.1
123.04159	3.2
131.08542	0.6
145.10110	1.1
157.10110	0.5
159.11627	0.6
165.09186	0.5
173.13350	0.4
191.14287	0.5
223.09392	100.0
224.09698	2.2
264.12061	0.9
273.14590	5.5
318.22592	0.5
473.25119	1.3
473.32507	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.7
62.18536	0.7
69.12437	2.2
69.12844	2.1
76.58678	0.6
79.05486	1.1
91.05435	1.1
93.07031	1.5
105.06989	2.8
107.08585	0.9
119.08562	1.3
123.04160	3.0
131.08582	1.0
142.07762	0.8
147.11604	1.0
200.20004	1.1
223.09384	100.0
224.09682	2.3
239.08939	1.6
256.26431	1.1
257.15146	1.8
264.12003	0.9
265.12460	0.7
273.14581	51.2
274.15005	1.4
291.15585	1.3
314.17175	1.9
473.25021	25.0
473.31943	1.2
474.25064	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12521	1.7
67.05482	2.1
70.75413	1.6
72.57303	1.5
79.05473	1.8
81.07064	4.0
87.42606	1.5
89.76640	1.4
91.05479	1.9
93.07051	5.4
93.50681	1.5
95.08599	1.6
97.61234	1.7
105.07022	5.1
107.08587	3.8
109.10114	1.8
115.84164	1.6
119.08555	5.0
131.08511	2.1
135.26976	1.4
139.03653	4.7
147.11629	2.3
157.10043	2.6
159.11658	10.5
193.89928	1.5
223.09367	24.9
223.11450	1.9
239.08882	100.0
240.09242	2.8
257.15073	19.4
273.14627	5.6
472.34726	2.2
473.24841	6.9
473.35199	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	473.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17659	0.4
58.99995	0.4
65.76966	0.4
69.54310	0.4
69.75859	1.5
69.93291	0.4
70.06570	0.5
79.05457	0.6
81.07019	1.1
88.07650	0.7
91.05444	1.6
92.68801	0.4
93.07006	1.2
95.08602	0.6
105.07025	2.8
107.08580	1.2
107.46920	0.4
117.06930	0.7
119.08543	1.3
121.06532	0.5
123.04157	3.0
129.06924	0.4
131.08521	1.0
133.10004	0.4
142.07771	1.0
145.10071	0.7
147.11662	1.1
157.10051	0.8
200.20071	1.8
201.71855	0.4
211.91855	0.4
215.11066	0.5
223.09386	100.0
224.09734	2.8
242.12849	0.4
247.83913	0.4
256.26242	2.9
264.12100	0.9
273.14575	46.1
274.14963	1.9
291.15585	0.6
314.17325	1.2
473.25034	18.4
474.25620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3625
Annotation	Odoratone
Peak:m/z	Relative Intensity
55.55473	8.2
67.05518	10.3
67.72845	8.9
69.07072	9.6
69.47581	38.5
70.57283	6.9
71.59402	7.8
71.95260	7.3
72.45129	7.9
79.05481	13.0
81.07061	28.7
91.05499	12.9
93.07045	21.3
95.08629	42.3
98.22558	9.8
105.07026	31.8
107.08590	66.1
109.10158	24.8
119.08599	33.6
121.10136	32.3
122.91759	8.3
131.08524	7.7
133.10120	42.7
134.36040	8.1
135.11711	19.0
145.10126	25.9
147.11674	22.6
149.13278	9.3
159.11757	13.5
161.13266	14.4
163.11176	22.7
166.84598	7.7
175.14793	21.0
177.16371	26.6
184.79453	7.7
187.14862	19.3
189.16350	46.9
201.16545	9.9
203.17914	44.3
205.15834	100.0
206.16231	12.8
207.17482	22.9
209.13393	9.9
313.25269	12.7
318.84659	8.8
409.34509	29.9
410.35156	10.9
437.34021	16.8
469.92194	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	473.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.1
58.00703	5.4
67.05510	11.2
69.07063	14.2
70.82921	10.9
79.05497	15.6
81.07039	27.2
93.07051	16.9
95.08596	44.2
97.10157	7.1
105.07038	29.4
107.08586	51.7
109.10146	27.3
119.08612	28.9
121.10144	44.2
131.08612	6.0
133.10115	36.8
135.11716	27.4
145.10104	27.2
147.11679	27.8
149.13248	19.5
159.11700	17.0
161.13217	20.8
163.11198	9.0
163.14854	20.9
174.14055	6.5
175.14803	22.1
177.16368	40.1
187.14870	27.7
189.16367	57.0
191.17926	12.1
201.16362	12.6
203.17914	100.0
205.15866	66.5
207.17499	21.5
217.19450	6.2
249.18434	14.4
284.93152	5.7
391.33246	6.6
409.34668	62.2
410.34958	23.7
424.92953	6.4
427.35510	7.5
437.34351	10.8
469.65317	6.0
474.38794	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	474.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93634	0.3
63.02364	0.6
69.18523	1.3
72.53864	0.3
79.05492	1.4
89.03912	8.3
91.05457	0.4
94.87753	0.3
95.04921	0.5
106.37624	0.3
107.04955	2.3
111.04435	0.4
117.03368	10.4
128.06174	0.3
129.06992	0.7
135.04404	18.1
136.04749	0.3
139.03886	0.8
143.08542	0.3
145.02834	13.5
146.03142	0.3
152.06233	0.3
157.10150	0.6
161.05965	0.5
163.03891	100.0
164.04190	1.6
167.08577	0.6
171.07979	0.3
181.04974	0.9
184.05147	0.5
185.09650	1.0
189.09129	0.6
195.08072	1.3
197.09592	0.3
201.09021	0.6
213.09100	3.8
215.07028	0.6
217.08585	0.6
231.10138	1.4
241.08582	1.5
259.09619	2.3
277.10684	0.9
301.64658	0.3
351.85687	0.3
354.95978	0.3
398.01544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85597	2.0
52.61317	2.1
67.05499	5.0
68.63576	1.8
69.03439	3.5
69.06796	15.2
71.04994	18.0
79.05461	3.7
79.45647	2.3
79.77723	2.4
81.07046	7.1
85.02910	7.3
85.06535	9.6
87.00860	2.6
91.05473	9.3
93.07028	13.2
95.04974	4.1
95.08620	11.5
97.06519	18.7
105.01866	4.7
105.07016	16.9
107.08598	19.2
109.06527	6.5
109.10147	2.8
111.08061	3.8
112.58586	2.2
115.05435	2.0
117.07014	2.1
119.08570	10.2
121.10135	34.6
127.03977	3.7
131.08533	7.1
133.10112	100.0
135.08046	16.1
145.10106	5.4
147.11693	21.7
149.13242	20.0
173.13220	25.9
191.14297	92.3
192.14722	3.5
209.15407	3.1
242.69705	2.5
273.63507	2.2
373.42023	2.2
434.73990	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	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.05512	2.1
67.05505	6.1
68.75997	1.6
69.03426	3.8
69.07060	3.5
71.04984	16.1
73.02928	2.6
78.15569	1.7
79.05495	5.1
81.03407	3.1
81.07047	5.3
83.08625	2.4
85.02888	10.9
85.06544	8.2
86.09690	4.2
87.00842	5.8
87.24207	1.7
89.03894	2.7
91.05475	27.4
93.07034	12.1
95.04951	4.4
95.08607	13.0
97.02895	3.2
97.06532	16.3
99.04471	2.4
105.01870	5.6
105.04513	2.1
105.07034	15.3
107.08594	18.9
109.02876	3.0
109.06522	5.5
109.10145	4.8
111.08094	5.3
117.03379	2.4
117.07011	2.5
119.08556	9.6
121.10136	31.4
123.08039	3.9
127.03924	6.7
128.26106	1.8
131.08539	10.0
133.10120	100.0
135.04448	7.7
135.08066	15.2
145.02870	3.6
145.10110	4.0
147.11655	18.8
149.09628	2.9
149.13237	17.4
158.10823	3.2
163.03885	35.5
163.14870	1.9
173.13266	27.4
191.14294	91.8
192.14604	3.6
209.15373	2.9
409.88342	2.2
474.27533	5.0
475.32516	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	474.273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17677	2.1
58.75629	2.1
61.01103	2.4
70.60786	3.6
73.04738	6.5
76.15859	2.3
77.00593	28.0
89.06030	13.7
91.05813	12.9
94.40075	2.4
95.01633	100.0
96.05035	2.3
99.02655	3.0
113.02623	2.3
117.03736	2.4
117.07365	3.7
118.03214	8.2
119.01659	2.3
121.03175	9.8
145.06795	25.5
147.04710	28.5
161.09958	3.6
165.05797	2.9
169.03365	2.9
174.87657	2.0
189.09392	89.1
190.09680	2.5
230.06361	2.8
235.09972	2.7
239.09523	5.9
277.14618	35.5
295.15460	2.4
411.58276	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	23.8
67.05506	52.7
69.07061	55.8
69.74461	49.5
69.74850	69.8
70.76186	28.2
72.62859	25.0
74.73275	25.6
79.05472	48.9
81.07043	100.0
85.38762	30.9
91.05473	54.5
93.07034	73.7
95.08582	69.9
97.06501	34.1
98.23338	53.2
100.39642	29.3
105.06970	34.3
107.08588	79.9
107.96143	31.0
109.06539	42.2
109.10133	62.5
114.34969	26.6
119.08602	61.6
121.10149	58.4
123.67666	29.5
133.10078	35.9
169.89577	26.0
180.97589	32.0
248.09239	28.4
250.06218	30.0
273.13809	26.6
289.39703	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	474.9085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50397	2.0
51.00828	1.8
63.60675	1.9
69.70557	3.9
69.70940	4.2
76.78555	1.9
98.97592	3.6
112.89600	2.7
120.23380	1.8
136.94022	100.0
161.60269	2.0
214.95247	2.0
219.01921	2.4
237.02840	3.1
278.95209	82.5
279.95435	2.9
294.92920	93.3
312.93066	3.5
334.86362	2.9
350.87952	2.8
366.94263	2.3
372.94586	3.2
376.93015	8.8
392.90442	8.7
400.29156	2.1
415.09064	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	475.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
51.03652	0.1
51.92589	0.1
52.43477	0.1
53.03951	0.2
55.01847	0.1
55.89717	0.1
62.01597	0.2
63.02378	0.6
67.05492	0.4
69.92329	0.2
69.92667	0.4
77.03934	0.5
79.05485	1.5
81.03397	0.2
89.03905	8.8
90.04234	0.2
91.05452	0.3
95.04947	0.9
99.99426	0.1
105.03371	1.0
105.04467	0.3
107.04957	2.4
112.45876	0.2
117.03366	11.1
123.04417	7.3
131.04927	0.2
133.02843	7.4
135.04399	19.8
136.04730	0.5
137.02351	0.8
145.02834	12.6
147.04366	0.4
150.03166	0.2
151.03886	4.8
152.06305	0.2
160.05194	0.3
161.02174	0.2
161.05972	0.2
163.03883	100.0
164.04211	2.5
165.06984	0.4
173.02328	2.7
176.06206	0.2
186.05585	0.2
191.03374	0.3
197.06033	0.3
205.06483	0.3
211.07445	0.2
221.05893	0.7
222.06529	0.2
223.07526	0.5
237.05309	0.3
239.06979	0.4
249.05428	1.0
250.06204	0.5
251.06883	0.3
255.06425	1.1
265.04974	0.2
266.05609	0.2
267.06546	1.0
268.07248	2.3
269.07907	0.4
277.04990	0.2
279.06314	0.3
289.14117	0.2
291.06482	0.3
295.05984	4.9
296.06427	0.7
313.06982	1.8
314.07724	0.2
319.06000	0.6
337.07208	0.3
347.05484	0.5
355.09668	0.3
383.09103	0.2
393.07492	0.3
401.10031	0.4
404.96799	0.2
411.08841	0.3
427.08151	0.3
429.09482	0.5
439.07886	0.3
445.08658	0.2
457.08905	0.4
475.20187	0.2
475.32678	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47740	0.3
63.02372	0.8
69.76736	0.5
69.77124	0.5
69.84690	0.2
77.03935	0.4
78.99486	0.3
79.05470	1.9
89.03908	11.2
95.04956	0.6
98.23626	0.2
105.03365	0.3
107.04946	3.4
108.71742	0.3
113.54548	0.2
117.03371	11.5
120.61615	0.2
123.04420	4.8
133.02840	1.3
135.04402	22.0
137.02394	1.2
137.03258	0.2
145.02832	14.4
146.03214	0.5
147.04375	0.3
149.02266	0.3
151.03900	0.7
153.25217	0.2
159.04446	0.3
160.05219	0.7
161.02313	0.4
163.03885	100.0
164.04221	1.9
165.06975	0.5
173.02324	3.2
174.02719	0.3
187.03923	0.4
191.03343	0.4
193.06534	0.5
197.05989	0.6
205.06438	0.6
221.05995	1.5
222.06633	0.3
223.07535	0.4
233.04204	0.4
233.06207	0.3
237.05446	0.5
239.07001	1.0
249.05438	1.1
250.06277	0.9
251.07060	0.9
255.06512	2.0
263.07281	0.3
265.05048	0.4
267.06494	2.1
268.07254	5.7
269.07925	0.5
273.05682	0.4
277.05142	0.4
278.05573	0.4
291.06503	1.0
295.05954	6.8
296.06631	0.7
313.07028	0.6
319.05911	1.6
337.07236	0.8
347.05530	1.0
355.09470	0.4
365.07684	0.3
373.68719	0.3
379.52347	0.2
383.08994	0.5
393.07358	0.5
401.10138	0.5
411.08423	1.1
427.08020	0.5
429.09753	1.3
429.35284	0.3
439.08112	0.4
457.08939	0.7
475.19406	6.8
475.32468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71265	1.0
55.01879	1.7
65.03242	0.9
67.05514	1.2
70.02044	1.9
77.03926	1.5
79.05494	2.0
89.03936	2.3
91.05471	2.6
95.04977	3.6
101.22584	0.9
105.03402	3.0
107.04974	5.7
111.04447	1.5
115.05483	2.2
117.03390	1.2
123.04426	76.7
131.04912	2.6
135.04411	13.8
137.02356	4.4
137.06007	1.8
139.05443	1.2
143.04959	1.6
147.04411	4.3
153.05510	1.0
153.06984	4.2
159.04414	2.0
163.03905	17.5
163.05283	1.2
165.06981	10.4
175.03903	3.1
177.05417	0.9
177.06969	1.6
181.06500	5.8
187.03873	2.7
189.06990	1.4
193.06462	6.1
197.05919	1.6
199.07509	1.3
203.03401	13.2
205.04855	1.5
205.06548	5.3
209.05994	4.0
209.15335	1.2
210.06810	4.2
211.07536	4.3
219.08133	2.2
221.05989	21.8
222.06683	1.6
223.01793	1.0
223.07486	6.3
225.05446	7.0
227.06944	1.2
233.05980	4.0
235.07591	2.5
237.05441	3.1
238.06244	2.3
239.06927	8.2
243.06583	1.2
245.05875	1.2
245.08110	1.2
247.07472	4.5
249.05447	24.0
250.06218	2.7
251.06999	6.4
252.04184	2.2
253.04845	4.7
255.06493	29.9
255.09047	2.0
256.07266	11.8
261.05490	2.3
263.07077	4.4
266.05731	2.3
267.06509	17.5
268.06955	1.3
269.04468	2.2
273.07788	2.4
274.08337	4.0
275.07047	3.8
277.04929	12.7
278.05774	1.8
279.06512	15.2
281.04492	5.6
283.06122	1.4
284.03094	1.4
289.04929	2.8
291.06674	2.3
293.08197	3.3
295.06003	100.0
296.06516	5.2
297.07520	22.3
303.06516	3.1
305.04514	1.7
307.05951	3.4
309.07654	2.8
311.05453	0.9
319.06036	7.4
321.07559	2.7
323.05643	14.1
323.07330	17.0
324.06689	1.3
325.07071	3.8
335.05481	4.4
337.08527	2.5
347.05624	1.5
353.06494	4.6
355.09558	1.6
365.06815	3.3
383.09229	2.6
393.07568	1.2
411.08609	2.5
414.94611	1.1
429.09561	5.9
439.07953	1.5
447.10736	1.5
457.09158	2.5
466.97113	1.1
475.10190	12.8
475.19321	29.5
475.32361	9.9
476.09625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57460	0.7
52.55017	0.7
53.07061	0.7
55.49980	0.8
56.96284	1.5
56.96560	21.4
64.81593	0.8
70.71896	1.3
84.96018	7.5
92.89574	0.8
97.96786	3.5
98.97574	99.9
103.43134	0.8
108.63793	0.8
110.97551	30.7
112.99115	5.8
115.97865	1.1
116.98610	33.1
124.99113	1.6
128.98592	27.6
131.00156	7.6
134.99649	8.1
137.05965	0.8
140.35269	0.8
140.98582	2.9
143.00175	5.0
144.98117	2.0
146.99629	13.7
149.01204	1.4
152.98631	1.9
153.00754	1.0
157.01720	0.8
158.99622	6.9
161.01212	5.4
162.99126	1.3
165.00769	1.0
169.62064	0.8
170.99628	9.1
177.00706	7.0
179.00082	1.1
179.02457	1.2
189.00688	7.1
193.01746	1.7
193.98843	1.4
197.01218	3.4
201.00644	5.3
203.32497	0.9
208.00426	2.8
211.02907	1.4
212.00061	1.9
213.04330	2.1
219.01736	63.9
219.75038	0.8
223.02718	7.4
226.01445	9.6
235.02765	20.2
237.02791	100.0
238.01379	2.2
241.03804	21.5
244.02516	1.9
245.03427	1.0
253.03836	16.3
255.03854	6.4
256.02371	1.6
259.04816	4.4
260.02036	3.3
260.78293	0.8
263.04321	4.4
265.03857	4.2
266.86121	1.1
269.03351	1.2
271.04904	6.7
278.03009	2.9
281.05463	2.4
283.04721	1.2
286.01392	1.0
295.04822	3.4
299.04459	0.9
304.02454	1.0
313.05984	2.3
319.04846	2.7
325.05826	2.9
336.99042	1.2
337.05844	8.5
349.05713	2.2
353.05188	1.3
355.06924	3.3
357.08099	1.1
367.06949	17.5
371.06509	2.0
379.06879	4.4
385.08029	14.9
397.08163	6.7
415.09079	65.9
416.09485	1.8
433.10110	32.2
475.11172	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	475.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26580	0.7
56.96562	17.7
59.67099	0.7
64.46455	0.8
71.41520	0.8
71.95273	0.8
84.96030	6.0
97.96806	3.9
98.97575	100.0
110.97562	24.0
110.98290	1.3
112.99097	3.8
115.97847	1.9
116.98613	34.0
128.98599	20.0
131.00197	2.4
134.99657	7.2
140.98616	2.2
143.00169	2.8
144.93526	0.8
144.98056	0.9
146.99640	7.6
153.62695	0.7
156.15538	0.8
158.99644	13.0
161.01244	3.8
165.00732	0.8
167.42558	0.8
170.99644	5.0
177.00688	10.2
179.00206	0.9
189.00691	3.5
193.01700	1.2
193.98804	1.3
194.99612	0.8
195.03313	1.6
197.01250	1.6
201.00642	3.8
207.01799	0.9
208.00479	1.6
211.02837	1.6
211.99945	1.7
213.00592	1.1
213.04279	1.4
219.01743	29.4
219.03773	1.5
220.00436	2.5
223.02769	1.7
226.01501	2.0
227.02293	1.4
235.02748	18.7
237.02763	43.5
238.01437	10.8
238.03546	1.0
241.03767	4.2
251.02318	1.5
253.03838	17.9
255.05508	2.8
256.02542	3.3
257.01398	0.9
260.02054	2.9
265.03845	1.1
269.03198	4.1
270.60489	0.8
271.04834	8.5
277.03787	22.6
278.03369	1.7
279.05399	6.0
295.04868	32.6
307.04968	1.1
311.04321	2.7
313.05838	4.3
319.04877	1.0
337.05878	9.3
349.06015	1.1
352.86621	0.9
355.06848	1.3
367.06836	1.0
379.06903	1.8
385.07843	1.2
397.07919	4.8
415.09076	68.0
416.09521	2.1
433.10095	10.4
475.11212	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	475.121
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24380	1.8
70.06582	0.4
86.09695	0.4
93.31864	0.4
95.78296	0.4
96.72507	0.4
123.04395	0.4
149.86421	0.3
163.03915	1.1
164.04312	0.4
169.04672	1.1
177.01576	3.1
181.45821	0.3
186.59451	0.3
191.03362	0.5
192.03911	17.4
193.04678	2.5
201.01685	0.3
221.06129	0.6
229.96675	0.3
239.06955	0.4
249.05475	0.9
295.06021	1.0
301.86652	0.4
305.06320	3.2
306.06836	0.5
323.05502	0.8
326.94504	0.4
342.57452	0.4
444.10150	1.4
445.11163	1.2
475.12067	100.0
475.32153	8.2
476.12424	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	475.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
55.05514	1.1
57.03431	1.1
59.34876	0.9
59.50978	0.9
62.46471	0.8
65.03933	2.4
69.03423	2.5
70.06589	1.1
71.41113	0.9
71.41542	1.2
71.88136	0.9
72.08139	1.0
73.68304	0.9
81.03401	3.6
85.02904	4.1
87.04497	1.5
89.06019	10.5
91.05470	12.0
93.07032	1.9
95.08640	1.6
97.02863	1.2
97.41881	0.9
99.04528	1.2
105.07013	1.5
107.08578	2.8
109.02869	2.2
109.10129	1.1
119.04926	27.7
119.05726	1.7
119.58154	0.9
121.10149	3.1
127.03947	1.2
127.11164	2.3
133.07750	1.1
133.08597	6.8
133.10051	4.4
135.04443	1.2
135.08029	1.3
137.05972	2.1
147.04393	100.0
147.11699	1.5
148.04736	2.2
149.09599	6.6
151.03929	1.1
151.11089	1.1
163.03941	3.1
163.14761	1.2
165.05473	1.9
173.13295	2.5
177.11166	2.1
191.14323	4.1
209.15372	5.7
227.16406	10.9
282.69608	0.9
291.08643	3.4
294.09622	1.1
309.09799	1.3
475.18210	5.0
475.25284	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87385	0.3
56.39538	0.3
57.49365	0.3
69.35152	1.6
71.93109	0.3
86.26921	0.3
96.00277	0.3
96.06279	0.3
104.47791	0.4
104.64498	0.3
148.15132	0.4
163.03885	0.8
178.95715	0.3
190.93726	0.3
323.07471	1.4
430.10565	0.4
475.19366	100.0
476.19769	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	475.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98648	0.2
69.90912	0.6
76.73849	0.2
163.03830	0.2
175.29445	0.2
323.07401	0.8
351.61792	0.2
352.81317	0.2
475.19357	100.0
476.19720	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	475.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47364	4.4
53.03939	4.7
55.05502	7.1
58.78656	4.0
62.43499	4.0
66.79454	4.5
69.03415	8.5
70.69736	9.1
79.05495	5.4
81.03409	12.1
81.07017	4.3
83.04977	10.5
85.02908	11.8
86.64230	4.8
91.05452	25.7
95.04974	7.2
99.04420	26.8
103.03951	6.4
103.05449	11.7
105.07021	20.3
107.04967	38.7
109.02884	9.6
109.06516	12.5
111.04466	5.1
115.05446	5.7
119.04942	16.3
119.08627	5.9
121.06482	8.4
127.03905	36.6
128.06100	5.5
129.07019	16.1
131.04959	29.2
131.08554	6.5
133.06490	27.4
133.10092	5.7
135.08055	17.3
137.05951	100.0
149.06004	9.1
151.03908	24.6
151.07526	59.5
157.06454	16.7
161.05966	57.4
161.09572	28.7
163.07520	45.2
165.06990	8.3
165.09129	20.4
167.08508	6.3
174.06767	6.2
189.09088	94.1
190.09465	5.6
191.07066	7.7
192.14594	6.5
193.06494	9.3
193.10129	7.8
195.08037	11.6
207.10129	50.5
210.06757	5.0
211.07603	4.3
221.06006	13.6
221.09570	15.6
224.08179	7.1
225.09070	10.9
227.10661	12.6
233.07993	5.6
238.06352	5.1
247.07132	5.6
249.09131	12.3
253.08673	10.7
253.12190	22.9
255.10046	5.1
265.52017	4.2
267.10138	8.4
272.10501	6.8
281.11758	12.4
285.11234	25.3
287.12717	21.4
304.82364	5.1
313.14346	51.9
331.15259	28.1
369.16821	4.8
439.17053	9.5
475.32318	13.8
476.30823	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	475.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77084	4.6
52.79714	4.9
55.05519	4.4
55.07297	4.6
56.99464	4.5
58.82332	4.1
69.75400	10.0
71.48550	4.7
83.04982	10.2
83.28096	5.8
91.05482	14.5
95.04986	11.2
99.04449	13.4
103.03964	6.2
103.05451	16.0
105.07029	14.3
107.04937	50.6
109.02888	10.8
110.97423	5.9
119.04958	9.8
121.06521	9.3
123.04427	15.0
123.08061	5.7
127.03913	23.6
129.06976	10.4
131.04919	23.5
133.06503	17.8
135.08096	11.8
137.02330	11.8
137.05965	85.4
146.07271	9.7
149.05997	18.0
151.03883	29.9
151.07498	42.9
157.06517	14.3
161.05959	66.0
161.07190	7.6
161.09599	36.9
163.03926	13.4
163.07542	55.6
165.07028	19.2
165.09169	9.2
169.08540	8.6
178.07817	6.8
181.06441	8.0
183.10072	5.9
187.03922	5.8
189.09094	100.0
189.10638	3.7
193.06602	7.9
193.10156	8.4
205.06516	7.1
207.10127	57.6
210.06897	7.6
211.07507	6.8
221.05977	46.1
221.09650	15.8
221.15378	6.1
223.07623	16.8
223.11180	5.4
224.08417	8.5
225.05505	9.4
225.09224	10.0
227.06966	6.0
239.07094	7.5
249.05438	48.7
251.07033	12.7
253.05008	12.5
253.08531	10.1
253.12340	11.1
255.06601	9.3
255.10132	13.3
267.06534	15.8
273.07550	8.6
277.04950	21.0
279.06329	7.6
281.04306	12.3
281.11526	11.6
285.11227	22.4
287.12759	17.1
295.05960	57.3
296.06494	8.2
297.03891	6.9
308.46530	5.0
313.14261	34.6
321.07724	5.5
323.05487	36.2
331.15424	25.4
369.07971	7.3
383.08762	11.0
411.08783	9.1
413.19003	6.8
429.09637	18.4
431.11429	11.8
439.08411	6.9
439.17346	8.9
457.09064	12.3
475.10156	25.1
475.19177	36.6
475.32352	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.7
62.10110	3.7
70.42886	4.0
79.05473	8.8
81.03392	6.9
83.04962	10.1
87.74526	3.2
89.03899	6.1
91.05451	21.5
95.04973	7.8
99.04447	21.2
100.00549	3.5
103.03960	5.8
103.05479	12.2
105.07024	17.6
107.04951	38.8
109.02859	10.3
109.71880	3.6
111.04497	3.5
115.05443	3.3
116.35020	3.2
119.04948	7.2
121.06537	5.2
122.03660	8.7
123.04420	14.1
127.03944	22.0
128.06137	3.3
129.06985	12.4
131.04922	19.4
133.02827	4.6
133.06494	18.7
133.10117	4.0
135.04372	6.5
135.08034	8.6
137.02318	7.9
137.05969	81.2
143.19206	3.6
146.07182	5.1
147.04338	3.8
148.05203	3.9
149.05983	13.5
151.03891	23.5
151.07532	35.0
157.06494	9.3
161.05974	63.6
161.09605	36.0
163.03879	8.8
163.07553	48.8
165.07004	18.4
165.09087	18.6
174.06750	4.9
175.07613	6.6
178.07742	4.0
181.06453	4.4
181.08597	4.2
183.10225	9.6
189.09094	100.0
190.09454	3.6
191.07019	7.6
193.06476	8.6
193.10152	8.3
195.07936	4.8
197.06000	6.0
203.03340	4.7
205.06528	4.6
207.10136	64.6
210.06712	5.0
211.07506	6.5
219.08122	4.1
221.05942	38.7
221.09555	7.9
223.07535	15.5
224.08263	3.8
224.11632	4.6
225.05492	15.0
225.09094	11.5
227.10629	8.7
233.08083	8.1
237.05424	4.2
239.07034	9.9
249.05429	40.7
250.05925	3.5
251.06934	7.7
253.04994	8.0
253.08727	9.9
253.12103	18.1
255.06464	9.5
255.10182	6.7
267.06485	15.4
267.10074	12.0
275.06949	4.0
275.44403	4.2
277.04984	14.6
279.06400	8.9
281.04407	12.4
281.11734	11.0
284.13699	5.7
285.11230	29.4
287.12817	13.9
295.05988	50.1
297.03943	11.0
313.14282	36.2
314.14725	4.3
315.12259	5.2
319.05893	5.7
323.05515	34.8
331.15308	20.8
383.09140	6.4
411.08945	4.9
429.09546	13.8
431.10959	5.5
439.07990	7.2
439.17371	5.2
457.08890	10.1
475.10489	20.5
475.19135	25.7
475.32727	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
54.52817	2.6
55.05498	3.8
67.05480	3.9
67.09627	2.7
69.03426	4.5
69.58630	7.6
79.05481	7.1
81.03403	7.9
81.07029	3.7
83.04972	11.3
85.02891	8.8
91.05478	29.3
93.07034	3.8
94.04179	3.7
95.04964	7.6
98.08275	3.2
99.04448	28.1
103.03947	4.2
103.05452	17.6
105.04501	2.9
105.07019	21.9
107.04936	38.5
109.02878	10.7
109.06509	10.2
110.06863	6.0
111.04397	7.5
115.05435	5.4
119.04947	10.0
121.06473	8.2
122.03647	5.7
127.03912	33.2
128.06258	3.9
129.06993	26.2
131.04912	23.6
131.08521	7.0
133.02812	5.3
133.06483	31.5
133.10083	5.6
134.10443	3.7
135.08040	14.1
137.05965	100.0
137.07021	6.0
137.73450	2.8
145.07654	3.7
146.07253	4.0
149.06000	10.1
150.92201	2.9
151.03918	24.4
151.07527	63.9
157.06445	15.7
161.05971	60.9
161.09604	27.9
163.07507	55.4
165.07001	16.9
165.09122	17.4
167.08575	4.8
173.13313	3.2
174.06750	9.2
175.07523	5.5
177.09007	2.8
178.07796	7.5
180.81734	3.2
181.06488	4.8
182.07237	4.4
183.10213	6.4
189.09090	97.8
191.07042	6.0
191.14328	4.7
192.14590	6.6
193.06442	10.7
193.10123	10.4
195.08046	9.9
206.07173	3.7
207.08296	4.7
207.10133	38.5
209.15352	4.3
210.06802	12.4
210.15498	3.6
212.08377	4.5
221.06100	14.5
221.09589	14.8
223.07628	4.0
224.08195	3.4
225.09129	16.2
227.10614	10.0
233.08107	5.4
237.09024	3.7
249.09105	5.6
253.08627	12.6
253.12227	23.2
255.06657	5.3
255.10092	8.7
267.10123	10.8
269.08197	4.7
281.11652	14.3
283.09802	4.2
285.11185	31.8
287.12708	23.2
291.12149	4.1
313.14304	45.1
329.13821	3.9
331.15320	26.6
397.16232	3.9
411.17569	3.5
439.17395	10.1
475.32346	8.1
476.30762	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	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60165	0.4
53.03939	0.9
55.01868	1.2
55.05526	0.5
57.03440	0.8
61.02915	1.0
61.85704	0.4
67.05499	1.5
68.99799	0.6
69.03426	5.0
69.07063	1.1
69.50605	0.9
69.50988	1.4
70.01030	0.4
71.04992	6.8
73.02898	0.9
79.05494	0.9
81.03415	4.8
81.07063	1.7
83.08616	0.9
85.02903	9.9
85.06563	2.6
86.09708	0.5
87.00833	3.9
91.05466	1.7
93.07034	1.5
95.04948	0.8
95.08598	2.5
97.02911	2.8
97.06516	1.0
98.23393	0.7
99.04448	23.9
99.08079	1.6
100.04749	0.4
101.05987	0.6
105.01865	2.9
105.07039	2.3
105.15029	0.4
107.08588	4.9
109.02882	4.1
109.06469	0.6
109.10151	2.0
113.09663	1.1
117.01845	0.6
119.08568	1.4
121.10134	3.4
123.08060	3.9
123.11721	2.2
125.09627	1.8
127.03901	6.2
131.04942	0.7
131.08562	1.4
133.10118	16.4
134.10435	3.7
135.04419	0.6
135.08035	0.9
135.11661	0.8
137.09601	0.5
139.11186	1.1
145.05017	2.1
145.06090	0.4
145.10115	0.7
147.11702	1.3
149.09619	2.0
149.13254	1.7
151.11182	1.7
158.10915	0.6
159.02892	2.1
163.03914	2.0
163.14861	0.8
165.12773	1.2
167.10687	1.1
169.12227	2.1
173.13268	6.0
174.13559	1.1
181.15901	0.6
183.13789	7.6
184.14214	0.5
191.14265	4.9
192.14630	1.1
209.15335	11.1
209.17198	0.7
221.06020	0.9
227.16393	22.1
228.16734	0.8
231.05095	0.9
249.05550	1.2
295.06055	1.3
358.11798	0.6
400.99387	0.5
475.21335	3.2
475.32526	100.0
476.32843	4.8
494.41089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
55.01868	2.2
55.05510	1.5
57.03434	3.3
61.02922	1.9
67.05513	2.6
69.03422	13.5
69.07076	1.6
69.32765	3.7
69.33176	2.6
70.06618	1.2
71.05006	4.9
79.05505	3.3
81.03419	17.5
81.07066	4.5
83.05007	3.7
83.08647	1.6
85.02895	23.2
85.06544	2.3
85.28252	1.2
87.00839	7.6
91.05471	6.8
91.27039	1.1
93.07064	4.6
95.04958	23.3
95.05515	1.5
95.08631	3.8
97.02881	8.1
97.06535	9.3
98.22685	2.3
99.04443	10.6
105.01861	7.4
105.06989	6.8
107.08601	6.1
109.02872	22.0
109.06499	14.1
109.10188	5.0
111.04449	2.5
111.08102	2.3
115.03915	1.3
115.07623	3.5
119.04997	5.1
119.08614	4.9
121.10155	7.6
123.08067	2.1
123.11772	1.6
125.02381	1.6
125.09609	2.0
127.03911	21.3
128.45122	1.1
128.79451	1.2
131.08635	5.2
133.06482	2.2
133.10129	13.5
135.04424	1.6
135.08109	3.1
135.11740	1.7
137.06015	2.6
145.02908	4.9
145.04927	6.1
145.10114	2.8
147.04398	18.4
147.11646	10.1
148.04701	1.3
149.09674	3.6
149.13249	2.1
151.03928	1.8
151.07600	2.7
151.11264	2.5
153.09093	12.4
159.02979	2.5
161.05977	1.5
163.03976	1.9
163.14893	2.4
165.12796	2.5
169.04987	3.1
171.10231	2.5
173.13234	8.6
174.13745	1.7
175.07870	1.5
177.05450	7.6
187.06100	4.6
191.10793	2.1
191.14265	17.1
209.04128	1.6
209.11996	1.8
209.15353	27.6
227.12935	3.8
227.16385	27.0
229.07132	1.7
231.05086	1.8
295.18958	1.8
313.20041	1.3
317.75085	1.6
355.10345	1.7
475.25385	100.0
476.25610	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	475.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	8.8
60.26089	4.6
66.91825	5.1
67.05496	38.6
69.07040	10.7
70.74989	11.2
70.78976	4.7
79.05479	31.0
81.07042	38.7
83.08599	4.8
91.05450	20.2
92.43438	5.7
93.07042	35.9
95.05000	8.9
95.08592	13.9
105.07013	19.4
107.08575	18.8
109.06506	5.7
109.10179	7.5
116.01781	4.9
119.08553	9.1
121.10175	9.2
133.10092	9.9
135.11667	6.2
147.11671	11.1
149.13232	14.4
151.27971	5.2
163.03932	6.8
171.11690	8.6
186.02315	5.4
207.13626	6.5
239.06790	100.0
475.24341	59.2
475.30618	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.5
65.06021	2.8
67.05504	6.2
69.07066	4.1
75.97289	3.0
77.61724	2.7
79.05471	5.1
81.07038	11.4
81.30616	2.7
91.05485	5.7
92.37424	2.6
93.07028	9.9
95.08608	7.2
105.07018	9.5
107.08595	8.3
109.10165	3.5
119.08578	5.3
121.10131	7.1
131.08536	3.3
147.11691	3.5
149.13303	2.9
149.26410	2.7
159.11745	3.1
160.11908	3.1
169.10028	3.4
198.98665	2.9
206.26036	2.6
227.10768	3.4
241.06699	5.9
255.06273	100.0
256.06686	4.0
275.12494	5.1
287.77097	3.2
415.93289	3.1
475.24490	91.9
475.31262	3.9
476.24759	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	475.2455
Annotation	His Tyr Arg
Peak:m/z	Relative Intensity
56.50967	3.5
79.05490	4.2
81.07041	9.5
86.22972	3.4
91.05469	5.3
93.07037	7.6
95.04940	5.4
95.08611	4.9
153.55496	3.8
173.89503	4.4
233.41032	3.8
239.06857	8.6
255.06294	5.2
279.79819	3.7
433.23065	9.5
475.24490	100.0
476.33807	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	475.2515
Annotation	Val Asn Asp Lys
Peak:m/z	Relative Intensity
51.96465	0.4
53.03950	0.9
54.66869	0.4
55.01871	0.8
59.05002	0.4
65.03920	0.4
67.05492	0.8
69.03428	2.2
69.41379	1.7
69.41743	0.9
71.04990	0.9
79.05486	0.6
81.03410	7.0
81.07055	0.8
83.04989	0.7
85.02905	4.6
85.06610	0.4
87.00838	0.8
89.03909	0.6
91.05473	1.1
95.04957	2.3
97.02889	2.3
97.06535	1.4
99.04456	1.5
105.01873	0.9
105.07042	1.2
107.04945	0.7
107.08575	1.1
109.02866	7.1
109.06509	1.4
109.10157	0.7
111.04412	0.9
117.03377	0.5
119.04961	1.4
119.08545	0.5
121.10159	1.1
123.04421	0.6
123.08017	0.4
125.02367	0.7
127.03919	6.9
131.08554	1.0
133.06485	0.5
133.10107	2.3
135.04460	1.1
135.08008	0.7
139.03990	0.5
145.02913	1.1
145.04895	2.2
147.04414	4.0
147.11638	1.0
149.09587	0.7
151.03926	0.6
153.09058	0.9
163.03877	2.1
168.61507	0.4
169.04961	1.6
173.13289	0.9
177.05505	1.8
187.06033	0.8
187.89601	0.4
191.14391	1.4
209.11722	0.5
209.15356	3.3
222.31065	0.5
227.16371	3.4
229.07159	0.5
295.18848	0.8
296.11456	0.5
313.20038	0.8
338.30994	0.5
452.13028	0.4
457.24023	0.9
475.25153	100.0
476.25378	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	475.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42081	1.3
55.05499	2.6
67.05496	5.1
69.07064	2.0
70.60766	1.3
70.61108	1.3
79.05483	4.4
81.07045	4.2
85.06511	1.9
91.05473	5.2
93.07033	6.0
95.04958	4.6
95.08568	1.9
104.34318	1.4
105.07012	8.1
107.08559	2.4
109.06493	1.3
119.08545	4.1
129.06894	1.5
129.66196	1.3
131.08499	3.3
133.10078	1.7
142.07764	1.8
143.08263	1.6
145.10164	2.5
147.11693	2.9
157.10170	1.7
163.03862	2.4
175.11185	1.5
206.93301	1.4
225.10950	100.0
226.11150	2.3
245.49626	1.2
273.14578	78.5
274.14914	3.2
425.03217	1.4
442.17807	1.5
475.26434	25.0
476.26620	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53225	1.2
69.14329	5.9
69.14742	2.6
81.07068	2.1
83.04971	1.3
91.05470	1.7
93.07027	2.4
95.04961	2.9
95.08598	2.0
105.07023	7.3
107.08585	2.1
117.07054	1.6
119.08582	4.3
123.04170	2.2
133.10104	1.7
142.07816	1.6
145.10129	1.7
147.11682	2.6
157.10143	1.7
159.11626	1.4
175.11169	1.6
207.40594	1.3
223.09514	2.8
225.10944	100.0
226.11383	3.3
239.08897	8.2
250.15286	1.3
273.14581	88.8
274.15057	3.9
305.54962	1.4
330.19760	1.2
435.14832	1.6
475.26538	32.6
476.26761	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	475.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
58.34710	0.2
65.03928	0.3
67.05496	1.4
69.07050	0.6
79.05492	1.3
81.07055	1.7
85.06519	0.6
91.05471	2.7
93.07050	2.8
95.04977	0.5
95.08591	1.0
105.07014	2.9
107.08573	1.6
109.06552	0.3
109.10179	0.4
112.25575	0.3
115.62299	0.3
117.07013	2.1
119.08562	3.6
119.10275	0.3
121.10152	0.7
123.04192	0.8
123.08038	0.5
123.11647	0.3
125.92244	0.3
129.06964	0.8
131.08559	2.0
133.10089	1.1
141.04138	0.5
141.05215	7.0
142.07732	0.5
143.08562	0.6
144.09322	1.6
147.11656	0.7
149.13220	0.4
157.10117	1.7
159.11685	15.8
160.11929	0.5
171.11671	0.4
177.12698	0.9
217.15816	0.4
241.10439	100.0
242.10730	2.4
257.15100	32.4
258.15439	1.3
318.45929	0.3
357.20486	0.3
457.09430	0.4
475.26514	12.1
476.26956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.5
53.03936	7.6
55.01855	4.9
55.05257	2.0
55.05506	26.0
57.03434	6.7
57.07062	2.8
65.03936	6.4
67.05500	90.3
68.29687	1.1
69.03451	1.3
69.07064	25.8
69.07436	2.0
69.20494	2.9
69.20899	4.0
71.04987	5.1
73.02896	1.2
73.06532	1.8
77.03918	2.3
79.05487	95.4
80.05838	1.4
81.03416	9.6
81.07052	100.0
82.07384	1.3
83.04975	17.0
83.08610	13.5
85.02904	1.3
85.06541	5.9
91.05473	63.9
92.05837	1.4
93.07037	88.0
95.04960	26.8
95.05439	0.6
95.08603	34.2
97.06519	13.4
97.10152	3.6
98.23440	1.9
99.08102	2.6
105.04511	5.4
105.07024	40.3
107.04941	6.2
107.08580	36.2
109.06514	5.8
109.10184	5.7
111.08069	5.6
115.05457	1.2
117.07018	13.1
119.08579	23.2
121.06501	3.0
121.10133	17.6
123.07164	1.0
123.08052	5.3
123.11702	1.4
125.09612	1.2
127.07534	1.9
128.06218	2.4
129.06990	13.1
131.08557	8.6
133.10123	13.2
135.08034	2.5
135.11671	9.2
137.09660	1.4
143.08549	6.7
145.10107	9.0
147.08072	1.6
147.11671	29.5
149.13258	24.2
153.61453	1.1
159.11696	11.6
161.09648	3.9
161.13240	9.5
171.11656	23.6
172.12187	1.1
177.12737	3.7
179.14279	1.4
189.12715	11.0
195.13786	5.7
200.77612	1.2
207.13786	26.4
215.84039	1.1
225.14896	3.9
239.08855	3.9
263.16348	1.6
269.17444	1.9
393.26419	1.3
416.38275	1.1
475.30563	59.2
476.30914	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	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08406	1.1
57.03430	13.9
59.05008	2.2
60.04494	1.6
60.47360	1.2
61.02927	1.8
65.00604	1.2
65.81548	1.3
69.03425	48.0
69.46769	2.6
69.47150	3.4
71.04995	1.7
73.02911	3.3
76.35238	1.3
79.46979	1.2
81.03431	2.6
85.02898	35.1
87.03968	2.8
87.04460	34.9
91.05480	4.1
97.02254	2.4
97.02885	44.0
99.04433	2.1
100.24956	1.3
109.02824	1.7
115.03117	3.1
115.03922	50.0
119.04946	16.7
127.03876	3.6
133.03955	2.3
133.04953	45.0
137.87575	1.4
145.04939	4.2
147.04395	100.0
148.04689	1.8
150.07611	15.5
165.04062	2.9
165.05455	50.4
169.04997	1.5
171.04395	2.0
180.08673	3.4
189.05455	5.8
207.06490	7.8
243.06578	2.4
261.07544	2.5
279.08664	4.1
339.73712	1.3
476.14807	1.8
488.07394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96175	1.5
52.78546	1.3
57.03426	12.1
59.04991	3.0
60.04514	1.5
61.02913	1.9
69.03424	48.4
71.21328	1.3
81.03411	2.5
85.02893	33.5
87.04461	34.5
91.05482	6.2
97.02883	44.2
105.07047	1.5
115.03920	57.5
119.04931	19.5
123.04469	1.6
126.18533	1.3
127.03912	5.5
133.04956	60.1
133.06479	3.0
145.04977	4.9
147.04391	100.0
148.04762	2.2
150.07608	15.2
161.06010	3.1
165.05457	58.4
171.04419	3.0
176.99474	1.6
180.08630	3.0
185.91167	1.4
189.05438	9.5
193.08659	1.8
207.06531	11.1
243.06503	3.3
259.08075	1.6
279.08560	2.9
392.36856	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01855	3.8
55.83546	1.1
69.03414	6.1
69.85270	3.7
73.02905	1.3
79.05486	3.8
81.03395	6.5
85.02901	15.5
87.00814	5.6
91.05455	2.2
97.02891	6.2
99.04431	2.8
103.05469	5.8
105.01854	6.4
105.07021	53.8
108.04462	4.6
109.02863	5.0
110.18594	1.4
115.05428	11.0
118.04140	4.3
126.05536	1.8
127.03914	10.7
133.06482	48.3
143.06036	3.9
145.04965	4.5
147.04373	2.7
159.02872	3.0
161.05962	100.0
162.06287	2.5
163.03905	1.8
168.80670	1.3
181.04993	1.8
193.08588	86.2
194.08772	2.5
196.67531	1.2
231.04926	1.7
248.07643	1.7
460.47440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01842	0.1
59.11556	0.2
64.37593	0.2
67.42325	0.1
69.03427	0.2
71.95620	0.1
77.03920	0.4
79.05473	1.0
80.29246	0.1
85.02908	0.4
93.62347	0.2
95.04961	1.9
97.02896	0.4
105.04513	0.7
105.07008	0.2
107.04948	100.0
108.05289	1.7
115.03902	0.4
121.15838	0.2
124.03870	0.2
133.04933	0.4
134.31522	0.2
145.08701	0.2
229.86247	0.2
359.95529	0.2
380.51987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.1
53.03946	0.4
64.76911	0.1
67.43635	0.1
69.70985	0.1
69.71349	0.5
77.03911	0.7
77.13641	0.1
79.05498	1.1
84.19282	0.1
85.06542	0.4
95.04958	1.5
105.04496	0.7
106.57304	0.2
107.04945	100.0
108.05279	1.9
111.04436	0.2
127.03906	0.2
131.04980	0.2
137.05951	0.3
145.08586	0.3
151.07492	0.1
161.05984	0.2
164.07921	0.2
175.92357	0.2
189.09221	0.2
207.10094	0.2
223.18408	0.1
255.06670	0.3
255.92107	0.2
383.20236	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.4
57.03427	3.6
64.35355	1.2
65.03918	1.2
67.05494	12.8
69.07054	5.2
69.18266	7.0
75.75054	1.1
77.03909	1.3
77.38350	1.0
79.05486	11.5
81.07046	11.1
83.08607	1.2
91.05451	7.0
93.07053	6.9
95.04958	3.6
95.08601	10.1
95.46449	1.0
97.10159	1.2
97.47434	1.0
101.02578	1.2
101.86918	0.9
103.05441	2.6
105.03440	1.1
105.07021	4.9
107.04945	6.7
107.08602	4.3
108.05721	2.3
109.10137	3.2
115.05445	1.7
117.07011	3.2
119.08603	1.8
121.06475	8.1
121.10135	3.6
123.08056	1.9
128.06252	1.5
129.07057	1.5
131.04932	4.6
131.08568	2.1
133.06482	12.4
135.04399	87.4
135.07985	1.9
135.11667	1.1
136.05226	6.7
137.05962	4.5
143.08551	4.8
145.06471	4.6
146.07245	4.2
147.08014	3.4
149.05966	5.1
150.06738	4.4
151.07521	100.0
152.07840	2.1
157.06480	3.2
158.07179	1.1
159.08060	1.2
161.05960	3.4
162.06767	1.4
163.07506	13.1
165.09114	16.4
171.08060	5.0
172.08768	1.2
173.06009	4.3
174.06775	1.9
175.07523	2.0
177.09088	28.4
179.10664	3.1
186.06844	1.1
186.10495	1.2
187.07503	6.9
188.08321	4.0
189.09119	5.7
191.10638	4.0
201.09058	16.4
202.09987	2.2
203.10678	11.9
217.12244	6.0
263.10568	1.1
279.13806	1.2
287.01852	1.3
307.13342	3.5
309.14783	7.6
321.14844	2.8
324.13416	5.8
335.25763	47.7
336.26062	2.5
339.15897	31.9
339.20047	1.5
340.16241	1.5
381.16724	1.2
399.17853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01859	1.6
55.05515	6.0
57.03442	1.5
63.54321	1.1
64.25539	1.2
67.05503	5.2
69.03415	3.4
69.07059	10.0
73.02907	1.5
79.05477	6.7
81.03423	5.4
81.07056	9.8
83.08624	5.1
85.02898	9.8
87.00829	4.6
91.05461	4.6
93.07046	11.1
95.04961	1.8
95.08607	17.9
97.02898	6.9
97.10146	2.6
99.04415	2.4
99.47459	1.1
105.01855	1.8
105.07030	7.7
106.49190	1.0
107.08585	19.7
109.02870	3.1
109.10146	8.3
116.40775	1.2
119.08592	9.0
121.10141	24.2
123.04423	3.5
127.03960	7.4
129.94931	1.1
133.10098	5.4
135.11688	8.5
145.04958	4.0
147.11685	3.0
149.13251	4.2
159.02879	2.6
163.03897	3.8
175.13380	1.9
175.14816	25.7
177.16370	100.0
178.16708	3.6
188.43890	1.3
193.15887	4.1
198.06682	1.3
210.09106	1.5
227.10559	1.6
228.10291	1.8
231.05052	1.3
252.38461	1.1
324.05682	1.7
333.02539	1.2
392.57578	1.3
458.09543	1.2
476.10281	2.0
477.17667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01867	2.3
55.05503	1.8
57.03434	2.0
67.05502	1.3
69.03414	3.9
69.07079	1.7
71.04985	2.4
75.04522	1.1
79.05484	1.3
81.03397	4.4
81.07050	8.2
85.02895	15.1
87.00831	5.2
91.05493	4.6
91.05988	1.1
93.07030	6.3
95.08595	11.6
97.02877	6.6
98.23499	2.2
99.04427	2.2
99.08102	5.1
100.01872	1.0
105.01852	6.0
105.07021	7.3
107.04906	1.1
107.08587	10.0
109.02882	5.1
109.10114	1.9
113.09636	2.4
117.06998	1.3
119.08567	51.7
121.10116	0.9
123.11682	4.7
127.03910	8.1
131.08525	1.6
133.10118	100.0
134.10466	1.6
135.11682	18.7
145.04929	3.4
145.10074	1.2
147.11650	2.8
147.35426	0.9
159.02882	3.9
161.23161	1.0
175.14806	93.7
176.15100	3.6
187.94829	0.9
193.15871	23.6
198.98338	1.1
211.16913	22.6
231.04990	1.7
247.13214	1.1
325.61346	0.9
334.98776	1.0
471.20227	1.0
475.82681	19.3
475.88882	0.6
476.32651	10.1
476.81903	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28761	1.7
50.57870	1.2
53.03940	1.9
55.05509	7.2
67.05493	2.9
69.03423	5.6
69.07067	14.7
69.27751	5.9
79.05473	3.4
80.79085	1.3
81.03408	4.2
81.07070	7.5
83.08604	4.7
83.22043	1.3
85.02896	12.2
85.95915	1.4
87.00820	6.7
91.05479	10.1
93.07018	5.1
95.04914	2.1
95.08596	10.7
97.02862	3.5
98.22624	1.5
99.04443	2.8
105.01268	1.6
105.01833	8.9
105.07021	23.8
107.08562	14.2
109.02866	3.2
109.10148	2.1
117.07014	3.7
119.08573	92.0
120.08862	2.1
121.10152	4.5
123.11717	2.1
127.03904	6.2
133.10117	36.5
135.11693	5.2
145.04886	2.5
145.10118	1.8
147.11667	5.0
147.99069	1.4
152.07103	2.3
163.03868	1.9
175.14810	100.0
176.15173	4.2
193.15862	1.7
205.93874	1.5
209.84021	1.3
249.06120	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.2
64.10748	0.6
67.05502	1.1
67.24775	0.6
67.74556	0.7
69.07059	1.0
69.12897	0.6
71.04984	1.3
79.05479	2.0
81.07062	4.5
83.08611	0.9
85.02901	1.3
91.05473	2.9
93.07043	4.8
94.56247	0.6
95.08598	7.9
99.08095	1.1
105.01850	0.8
105.07018	6.3
107.08589	8.8
109.10146	2.5
113.09667	1.1
115.05493	0.8
117.07039	0.9
119.08576	20.4
120.08986	0.8
121.10104	1.0
123.11678	3.2
127.03904	0.8
131.08546	1.3
133.10121	100.0
134.10463	2.8
135.11684	20.0
147.11687	2.5
163.03891	1.2
172.03859	0.8
175.14813	66.2
176.15157	1.7
193.15869	38.5
194.16310	1.1
205.06894	1.1
234.52716	0.6
250.66080	0.6
448.47028	0.8
476.32333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01868	0.5
55.05258	0.6
55.05507	8.3
57.03181	0.6
57.03433	7.8
57.07062	0.9
62.06061	0.5
63.34232	0.4
65.03931	1.5
67.05499	33.4
68.05832	0.7
69.07065	8.8
69.07440	0.6
69.77716	1.2
69.78085	0.5
71.04978	0.9
79.05489	19.3
79.37582	0.3
80.05829	0.4
81.03417	0.4
81.07049	27.7
82.07383	0.5
83.04967	0.8
83.08636	2.5
85.06544	0.7
91.05471	9.9
92.05792	0.7
93.07036	19.7
94.07345	0.5
95.04951	2.8
95.08598	21.5
96.08921	0.8
97.06512	1.4
97.10152	1.0
98.06062	0.5
98.98442	0.7
102.85222	0.4
105.04495	1.1
105.07019	4.9
107.08588	8.2
109.06490	0.9
109.10151	6.2
111.08060	0.8
115.63720	0.3
117.07005	1.2
119.08562	3.4
121.10132	5.8
122.10501	0.5
123.08060	0.4
123.11701	1.8
124.01599	0.8
131.08540	2.5
133.10091	3.1
135.08029	0.4
135.11665	2.7
145.10121	1.8
147.11681	1.5
149.13252	1.4
159.11647	0.8
161.13232	1.3
173.13275	0.6
177.73999	0.3
187.14815	0.5
189.12706	0.4
198.05177	0.5
207.13753	0.6
216.06342	0.5
261.22076	1.0
303.44000	0.4
304.26270	1.5
311.71783	0.4
335.25763	100.0
336.26157	5.4
428.01605	0.4
458.25363	0.4
476.31262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.4
57.03431	5.6
57.07055	2.1
57.92035	1.2
62.06087	44.7
65.03937	2.1
67.05155	2.5
67.05499	34.3
69.07062	9.2
69.65523	3.9
69.65887	2.4
71.04992	1.5
77.03904	1.7
79.05484	23.0
81.07053	26.9
83.08608	4.1
91.05482	10.9
93.07040	24.0
95.04970	2.9
95.08595	20.9
97.06497	1.6
97.10221	1.5
98.06075	2.1
98.98457	13.8
105.07012	8.7
107.08590	9.9
109.10160	8.5
117.07026	3.3
119.08591	6.3
121.10127	9.9
123.11729	3.6
124.01588	3.1
131.08592	4.3
133.10124	4.0
135.11723	3.6
142.02620	2.0
145.10100	3.4
147.11737	3.0
149.13257	2.5
155.01077	3.0
159.11714	2.5
161.13252	2.3
163.14761	1.6
173.02126	2.3
173.13272	3.1
185.73708	1.4
186.00604	1.3
198.05209	2.6
216.06276	4.2
232.39601	1.4
261.22021	7.6
304.26352	10.9
317.24490	1.5
335.25778	100.0
336.26132	5.4
458.26645	3.1
476.27527	1.4
490.72794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00197	20.6
57.07056	17.4
67.05505	34.5
69.07061	33.1
70.85371	30.5
81.07048	94.6
84.87610	19.6
91.05482	67.5
93.07033	100.0
93.67438	21.0
95.05000	24.1
95.08602	57.8
95.69424	20.3
98.23463	20.4
105.07021	63.1
107.08572	42.1
109.10078	22.9
119.08603	59.3
121.10156	51.5
127.18746	19.9
131.08577	27.6
133.10194	24.4
135.11661	20.2
147.11682	34.2
159.11629	22.5
161.13266	23.0
231.63144	19.5
380.38779	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	477.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80783	1.6
69.03432	3.5
70.08768	1.5
70.10197	4.7
79.84004	1.5
81.03407	2.4
85.02905	3.1
89.03910	6.9
107.04927	3.5
109.47327	1.7
117.03389	9.3
135.04410	15.6
145.02850	8.5
163.03894	100.0
164.04362	2.0
176.45033	1.4
181.04971	4.0
183.98337	1.7
249.15636	1.9
325.09186	4.3
477.19354	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	477.1963
Annotation	Cistanoside E
Peak:m/z	Relative Intensity
55.05487	1.8
57.03431	11.0
61.02910	2.5
69.03419	36.9
69.23443	7.2
69.23861	5.1
71.04986	44.7
73.02888	3.9
75.04459	7.3
77.61140	2.1
79.05492	2.2
80.02957	1.9
81.03420	7.5
83.04967	8.1
85.02895	100.0
91.05482	15.2
93.07043	3.8
95.04966	4.3
97.02883	9.5
97.95011	2.5
98.22749	3.3
99.04472	2.2
105.07040	6.1
107.04980	3.3
108.97105	1.8
111.04434	8.7
111.50046	1.8
119.04930	10.2
121.06495	9.2
127.03892	7.3
129.05463	28.1
129.07008	3.0
131.04973	3.6
133.06454	2.6
134.70901	1.9
135.04382	2.7
135.08029	2.1
137.06062	2.7
145.04935	3.5
147.04439	3.0
147.06538	16.6
149.05952	4.4
151.07533	57.4
151.08746	3.5
157.06503	5.3
161.05943	4.3
163.03876	13.5
163.06349	2.1
163.07513	12.6
164.04272	7.5
165.09100	14.3
169.08572	4.4
175.07541	2.9
179.07065	5.6
181.08569	16.8
193.08618	18.4
213.11282	3.0
235.09543	4.6
259.09744	2.2
261.11169	10.9
277.10635	5.1
309.12094	2.9
374.51779	1.8
477.16675	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	477.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20669	1.9
69.30684	10.6
80.99342	2.1
85.02863	2.5
135.04440	2.6
163.03905	18.7
203.05338	1.9
209.55803	2.0
246.89836	2.0
249.15707	100.0
250.16052	58.1
251.16302	17.0
271.13718	1.9
446.37286	2.4
477.19382	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	477.246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48944	0.3
52.18510	0.4
55.05501	0.4
67.05468	0.7
71.30832	0.4
79.05455	1.3
81.07005	1.1
85.02858	0.6
88.74931	0.3
90.51843	0.4
91.05486	3.0
93.06997	1.1
95.04939	1.0
95.08591	0.8
105.07037	2.5
107.08524	0.9
117.06975	1.6
119.08561	1.2
120.15997	0.4
127.03871	0.6
128.06195	0.9
129.06949	1.2
131.08531	1.8
133.06470	0.7
133.10069	0.8
141.06966	0.4
142.07820	0.5
143.08521	1.0
145.10077	1.7
155.08496	0.7
161.09471	0.5
163.03836	0.9
164.04239	0.7
173.09589	0.9
185.13260	0.5
195.08029	0.6
211.09404	26.3
212.09702	0.7
271.13000	2.8
289.14069	100.0
290.14407	4.1
307.15219	0.6
325.13544	0.4
330.16785	1.6
477.24573	17.5
478.24936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97389	1.5
67.05495	2.0
67.41179	1.6
71.01742	1.8
71.02133	2.4
79.05470	2.7
81.07036	4.6
82.00163	1.9
83.08618	1.6
90.56331	1.9
93.06992	2.1
95.08580	4.2
105.07012	5.3
106.34445	1.8
107.08580	5.1
109.10108	2.8
113.27956	1.9
116.52568	1.9
118.40850	1.8
119.08542	3.1
121.10168	2.8
147.11659	3.4
163.14792	2.1
171.02640	1.8
257.07834	87.3
258.08167	2.8
385.69745	1.9
477.26062	100.0
478.26300	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	477.2612
Annotation	Bazouanthrone
Peak:m/z	Relative Intensity
52.35395	1.9
55.05465	2.6
58.84643	1.8
59.16939	2.1
65.80906	1.8
71.02062	2.3
79.05484	2.5
81.07060	3.8
93.07079	2.4
93.75478	2.1
95.08589	4.1
102.52267	1.8
105.07008	3.9
107.08598	4.0
109.10132	2.7
119.08561	4.5
121.10182	3.1
123.84901	2.2
132.05722	2.5
133.06465	3.8
133.10109	3.2
147.08052	2.2
147.11693	5.1
155.49959	2.2
171.11569	2.2
173.09596	3.2
175.07587	9.7
189.05603	2.5
229.12212	7.0
257.07855	72.7
283.16858	4.1
286.15622	9.5
287.16260	3.8
459.25162	3.4
477.26114	100.0
478.26544	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	477.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51496	0.3
55.01847	0.9
55.05510	2.7
57.03402	0.5
57.07051	0.5
66.19652	0.3
67.05500	6.0
69.07075	2.9
69.25523	0.3
71.04947	0.5
77.03899	0.4
79.05482	5.7
80.07294	0.4
81.03375	1.3
81.07049	6.8
83.01317	0.4
83.04941	1.7
83.08582	1.6
83.48978	0.3
85.06501	0.6
91.05467	5.8
93.07031	7.9
95.04928	1.6
95.08593	3.5
97.06487	1.1
99.08047	0.4
103.05461	0.5
105.06354	0.5
105.07017	6.0
107.04922	0.8
107.08572	4.7
107.49541	0.3
109.06454	1.0
109.10112	1.1
111.08037	1.0
117.07006	2.2
119.07764	0.4
119.08572	4.9
121.10152	2.7
123.04185	0.7
123.08032	1.2
123.13508	0.4
127.92681	0.3
129.06960	0.5
131.08517	1.2
133.10127	1.7
135.11633	1.8
137.09630	0.3
141.04146	0.6
141.05208	8.9
145.10083	2.5
147.11646	0.5
149.13239	3.3
150.33842	0.3
153.12776	0.4
157.10078	0.4
159.11682	3.6
161.13242	2.4
161.90660	0.3
163.11160	3.0
181.12221	0.4
191.10596	0.5
195.13797	0.9
209.11725	0.7
227.12834	0.6
241.10432	100.0
242.10779	2.2
259.16675	13.2
260.17020	0.6
422.08975	0.4
477.28241	44.9
478.28555	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.1
55.01879	22.3
55.05510	57.6
57.03432	24.0
65.03942	8.4
67.05500	84.5
69.03432	10.4
69.07058	25.6
69.30486	10.5
69.30873	11.5
71.04994	12.0
79.05489	99.6
81.03413	96.3
81.07052	85.7
83.04979	27.3
83.08619	41.6
85.02888	21.8
89.03915	19.2
91.05477	82.3
91.06047	4.5
93.07043	63.7
93.55283	4.3
95.04958	57.6
95.08612	34.7
97.06532	8.6
97.10172	37.2
98.22721	8.4
103.43256	4.4
105.07018	57.8
107.04953	40.2
107.08587	43.9
109.06513	15.7
109.10168	17.5
111.04397	5.2
111.08106	12.5
115.05489	8.4
117.03387	19.7
117.07030	23.3
119.04027	4.5
119.08582	33.8
120.21541	3.7
121.06468	27.2
121.10135	13.6
123.04446	10.8
123.08080	8.4
124.04737	5.0
125.09624	28.4
128.06233	3.9
129.06990	34.3
131.04875	4.5
131.08551	32.7
133.02711	4.4
133.06512	10.4
133.10135	21.3
135.04396	28.9
135.08052	10.7
135.11765	10.7
136.04752	13.3
137.09645	8.0
141.06961	7.0
142.07741	6.6
143.08569	10.2
145.02884	15.7
145.06459	16.9
145.10107	18.0
146.03136	7.3
147.08040	12.7
147.11684	19.9
149.09648	10.7
153.09114	9.8
153.12758	5.5
155.08588	6.9
157.10075	20.9
159.08073	8.4
159.11569	5.3
161.09608	8.0
163.03886	100.0
163.11186	9.7
164.04228	54.1
165.04399	34.5
165.09129	12.7
165.12679	5.1
171.07950	5.0
171.11646	5.4
173.02298	7.2
173.13271	4.6
175.11156	23.2
177.12791	5.0
185.13289	7.0
189.11195	19.4
189.12650	4.6
193.12225	66.1
197.13141	4.8
211.13278	38.5
216.02417	4.5
227.12776	15.6
233.15378	13.5
267.15942	17.2
268.07086	6.2
269.64069	4.5
273.14810	11.7
297.06686	10.0
339.23328	7.9
349.21393	21.6
357.24188	9.9
367.22577	39.7
385.23645	75.0
386.24225	5.0
403.24789	19.6
441.26273	5.4
459.27509	50.2
477.28552	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23316	0.5
66.93238	0.6
67.54691	0.6
68.03749	1.5
69.53286	0.9
69.53659	0.9
79.92297	0.6
81.04532	3.5
85.68418	0.5
85.69809	0.6
92.79507	0.5
95.02415	0.8
96.03175	0.6
96.74468	0.5
102.80442	0.6
104.39872	0.6
106.03984	1.7
113.03495	0.7
121.96594	0.6
133.02794	1.0
137.05850	0.7
163.03816	1.2
170.07082	1.4
171.07874	0.7
185.07161	0.9
198.06645	0.7
199.07350	2.2
202.04808	0.8
210.06451	0.6
211.04984	4.1
211.07347	1.9
212.08165	28.9
213.08841	1.8
226.06024	1.2
227.06880	23.5
228.07251	1.1
238.06084	40.4
239.04439	1.7
239.06421	1.1
240.07611	2.2
241.08426	4.3
242.09219	49.2
243.09674	1.5
252.07639	1.3
266.05548	7.4
270.08713	100.0
271.09277	3.3
272.10214	0.7
298.08197	59.2
299.08453	1.5
316.09009	1.2
361.29239	0.6
376.33948	0.6
477.33109	22.3
478.12430	70.7
478.33328	6.0
479.12848	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	478.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89846	0.3
60.75985	0.3
68.03730	0.7
70.31973	0.4
70.32296	0.5
73.07086	0.4
81.03424	0.4
81.04535	3.6
85.02873	0.6
86.09682	0.3
91.05486	0.4
95.02401	0.6
96.03245	0.7
97.02885	0.6
99.08070	0.5
105.04467	0.5
106.04013	1.2
113.03473	0.8
118.06516	0.4
121.02831	0.4
127.03906	0.7
133.02827	1.0
134.06039	0.4
137.05934	0.9
146.06038	0.4
147.04353	0.7
162.05440	0.7
163.03864	0.5
170.07050	0.6
171.07875	0.6
181.04907	0.6
184.04007	0.4
185.07065	0.6
187.02657	0.4
198.06638	0.7
199.07404	2.5
202.05008	0.8
210.06602	0.6
211.05005	3.8
211.07362	1.5
212.03534	0.7
212.08160	23.3
213.07277	0.4
213.08891	1.0
219.11226	0.4
226.06100	0.7
227.06860	19.1
228.07198	0.8
238.06087	34.3
239.04391	1.1
239.06558	1.7
240.07652	2.4
241.08395	5.1
242.09218	44.2
243.09515	1.7
252.07657	0.9
254.09305	1.1
266.05603	8.0
267.06192	0.5
270.08704	100.0
271.09232	3.5
298.08194	57.4
299.08630	2.5
316.09262	1.3
477.33328	0.9
478.12402	67.4
479.12766	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05495	0.9
65.03926	2.6
67.05502	1.4
69.03416	1.5
71.41403	0.8
77.03911	0.7
79.05485	5.3
80.04996	0.9
81.03404	2.7
81.04539	0.8
81.05782	1.6
85.02900	1.5
91.05475	7.4
92.04999	5.6
94.06565	0.7
95.04947	1.9
96.08125	6.4
102.03062	0.8
106.06543	39.4
107.04938	1.6
107.06908	1.1
108.08118	9.3
109.02840	1.0
109.05244	1.3
110.06005	1.0
119.04934	20.8
122.06020	0.6
122.07138	4.1
123.06789	3.9
124.07581	20.0
134.06003	23.6
136.07553	2.4
140.08212	1.5
145.02850	1.5
147.04391	100.0
148.04732	2.4
148.07617	0.7
152.07053	59.0
153.07428	1.0
163.03926	0.8
165.05447	0.9
170.08112	43.7
171.08455	1.0
177.05457	2.9
182.18774	0.6
186.05533	1.1
195.10127	1.5
205.64087	0.6
221.79343	0.7
252.10176	2.6
267.88812	0.7
280.09732	2.6
291.08673	3.4
298.10724	1.8
309.09552	1.7
314.12302	1.8
332.13336	7.3
460.15979	17.6
461.16299	1.1
478.17041	34.6
479.17465	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	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01862	4.9
57.03423	2.8
61.02921	2.8
65.95042	0.8
68.99794	1.6
69.03422	12.5
69.37229	1.9
69.37630	2.5
71.04991	2.5
73.02904	2.6
79.05495	3.1
81.03410	11.7
85.02898	32.1
87.00823	13.5
89.06036	3.7
90.06363	0.8
91.03919	1.0
91.05480	3.0
94.90202	0.9
95.04955	4.0
97.02874	12.9
99.04460	6.2
103.05453	3.7
105.01852	11.0
105.07024	3.5
106.06567	2.2
107.04945	32.3
109.02872	10.6
111.04455	1.3
115.04040	0.9
115.05454	2.4
117.01846	1.8
117.07037	1.0
119.04929	1.8
120.05709	1.4
120.26869	0.8
121.06502	1.3
123.04394	1.4
124.05230	1.6
124.07585	1.5
125.05981	0.9
126.05512	3.3
127.03905	15.6
129.01804	1.4
131.04959	2.5
133.08588	1.7
134.06058	1.4
135.08055	9.6
137.05933	1.2
145.05011	5.6
145.06451	1.1
145.07565	1.6
147.02902	0.9
147.03186	0.9
147.04390	7.2
149.05989	0.9
152.04697	1.5
152.07068	4.5
159.02859	5.7
159.08113	1.1
163.03931	0.9
163.07530	33.1
164.07822	1.2
167.07021	83.3
168.07394	2.2
170.08128	2.4
177.09087	0.8
180.07808	2.6
181.08595	6.8
185.64063	0.7
195.10155	25.1
201.09010	0.8
213.11200	100.0
214.11525	4.5
223.09639	1.2
231.04948	2.4
236.03725	1.0
237.11159	2.2
255.12270	1.9
256.55389	0.8
279.12308	3.4
285.11166	1.7
303.12256	3.3
321.13293	8.9
460.15714	1.9
478.16983	3.5
478.31006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01865	5.4
57.03429	4.3
58.91187	1.2
61.02916	3.0
66.41780	1.0
68.99787	2.5
69.03425	20.0
70.60066	2.1
70.63757	1.1
70.64688	1.0
71.04990	3.0
73.02918	4.8
78.04704	1.2
79.05484	3.3
81.03410	17.6
85.02898	42.2
87.00816	16.1
89.37331	1.0
91.03949	1.6
91.05466	3.0
95.04971	3.7
97.02887	15.3
98.23360	1.5
99.04435	7.3
103.05473	3.3
105.01865	12.0
105.07031	3.1
107.04946	30.5
108.04472	4.7
109.02869	14.2
109.38960	1.0
111.04418	1.6
115.05445	2.4
117.01818	2.6
117.07010	1.8
120.05696	1.2
121.06467	1.8
123.04412	1.3
124.05238	1.3
126.05479	2.3
127.03912	25.4
129.01836	1.6
131.04948	1.4
131.08549	5.5
133.06464	1.4
135.08043	8.8
137.05911	1.4
145.04950	10.6
145.07600	1.1
147.02890	1.1
149.06033	1.0
158.35995	1.0
159.02847	6.5
163.07523	28.4
167.07025	76.8
168.07436	1.9
176.98358	1.1
180.07794	2.0
181.05014	1.6
181.08566	6.1
193.08678	1.1
195.10161	23.2
200.23300	1.2
205.08572	1.6
209.11621	1.3
213.11203	100.0
214.11636	2.5
230.06592	2.2
231.05040	4.2
237.11142	2.7
248.07600	2.7
279.12247	3.3
303.12311	3.7
321.13281	8.1
354.52628	1.2
388.25894	1.1
399.74594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82103	4.8
69.43795	3.9
91.05445	7.2
92.64531	4.2
96.98441	4.0
103.05473	45.3
105.07018	14.8
105.57283	4.3
119.04950	7.7
131.04918	100.0
133.06413	9.9
137.05919	6.0
147.04443	9.1
151.07533	4.7
161.05988	37.4
163.07509	28.2
179.07033	17.9
179.82956	4.5
199.07622	7.6
209.03006	3.8
231.78531	3.8
291.10004	8.0
291.18695	4.9
291.37354	4.6
323.12949	9.7
351.12091	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	478.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01870	6.2
55.05505	13.7
57.03415	2.3
57.27399	1.9
61.02910	3.7
65.03933	5.4
67.05495	7.0
67.80283	1.4
68.99776	3.1
69.03426	14.5
69.07051	2.6
70.06580	2.9
71.04981	4.8
72.42258	1.4
74.06084	2.7
74.24455	1.6
79.05481	5.9
81.03429	4.1
81.07052	10.1
83.04525	2.7
83.04972	28.5
85.02913	22.7
87.04492	2.5
89.06039	2.0
91.05441	10.6
92.67279	1.7
93.03396	3.7
93.06522	1.8
93.07065	5.0
95.04957	5.7
95.08600	7.5
97.02887	11.4
97.06477	2.1
104.07073	1.7
105.07023	11.8
107.04942	2.9
107.08582	22.5
109.02872	7.0
109.06520	6.9
109.10133	4.4
111.04432	100.0
111.08076	1.6
112.04758	2.1
116.64928	1.6
117.07021	2.4
119.08580	10.2
121.02852	1.8
121.06506	3.9
121.10136	2.0
123.04446	11.6
125.02291	4.0
125.09624	63.3
127.03893	5.0
128.06207	2.8
128.28584	1.7
129.07040	4.1
131.08560	5.2
133.06520	3.2
133.10129	7.1
135.04456	2.3
135.08054	7.4
137.02318	10.5
137.09596	4.7
139.03883	33.8
141.06985	2.0
142.07797	3.8
143.08528	6.7
143.10658	14.3
145.04968	3.7
145.10129	4.8
147.04362	2.7
147.08037	3.6
147.11644	2.6
149.05988	3.5
151.03856	2.8
153.09068	5.0
156.09332	4.6
157.04951	26.2
157.06200	2.8
157.10100	6.8
159.08096	2.9
160.08826	2.2
161.06061	4.0
161.09578	6.1
163.03896	5.6
163.07515	3.3
165.05426	2.5
171.11671	7.3
173.05949	2.3
173.09575	5.1
175.07545	2.3
175.11168	3.3
177.05453	2.2
179.10608	3.1
184.08813	2.5
185.09639	2.4
187.07536	2.0
189.09027	2.9
189.12766	5.0
191.07051	4.7
199.11192	9.3
201.09134	7.2
203.10680	6.2
211.02670	1.6
217.12236	19.5
218.62447	1.6
227.10623	7.7
235.13264	6.8
245.11700	26.6
263.12762	90.3
264.13007	4.3
281.13809	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	478.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
57.03436	3.3
57.07075	29.0
63.48902	2.4
67.05506	3.5
69.03415	13.1
70.06567	2.4
70.72506	3.5
71.04978	4.1
73.02928	14.1
79.05442	2.4
81.03419	15.5
81.04534	2.4
81.07056	4.4
83.05000	3.8
85.02895	19.4
85.06536	22.9
87.04470	2.9
89.06018	4.5
91.03932	5.7
91.05482	15.8
95.04994	5.0
97.02879	17.5
99.04457	3.5
106.06532	3.8
107.04929	4.9
107.08573	5.2
109.02877	10.0
109.06516	4.9
109.10140	4.0
111.04382	3.1
119.04926	30.8
119.08585	3.4
120.08105	3.3
121.10133	4.4
122.03659	3.4
122.05992	2.7
122.07148	13.2
124.07587	6.4
125.06007	2.8
127.03903	14.9
128.00734	3.0
131.08554	9.6
133.08560	3.7
133.10115	4.3
137.05963	100.0
140.08206	3.1
145.02826	3.6
145.04936	5.0
145.10135	3.0
146.47501	2.7
147.04405	71.1
147.05560	3.7
149.09616	11.5
151.03894	4.7
151.07452	3.5
151.11098	3.3
152.07019	14.7
163.03893	6.2
167.07074	5.9
167.10681	4.1
170.08080	8.3
173.13293	3.8
177.05481	7.3
179.07018	43.5
191.10690	8.3
195.10071	4.6
197.08099	7.7
209.11740	10.8
209.15407	10.0
213.11285	8.0
227.12727	28.6
229.10657	18.7
247.11861	12.4
257.08008	4.0
270.15698	2.5
275.09329	3.7
298.08582	5.1
389.54352	3.0
478.18204	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	478.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01862	2.1
57.03432	2.6
57.07071	100.0
58.07404	1.8
61.02908	4.3
69.03065	2.1
69.03422	20.3
69.07079	1.1
69.31568	5.2
71.05005	1.4
73.02880	1.5
81.03412	31.9
81.04555	1.3
85.02896	26.9
85.06538	22.7
86.09715	1.2
91.05453	2.3
97.02882	30.1
99.04454	4.3
103.07565	14.8
105.06976	1.4
109.02869	22.8
110.06031	2.0
117.03360	1.3
119.04920	3.2
122.03611	1.9
127.03905	32.9
131.04919	2.4
137.05975	14.5
138.06302	2.4
145.02748	1.3
145.04926	14.4
147.04402	11.0
151.96844	1.2
163.03896	4.0
166.21791	1.3
166.88718	1.3
171.07761	1.2
177.05479	1.8
179.07001	2.4
181.04910	1.4
181.08505	1.3
182.38394	1.1
199.07466	1.3
211.09784	1.9
212.08180	11.0
227.06883	10.8
229.10686	57.4
230.10809	1.2
238.06104	19.3
239.03421	4.2
241.08348	2.5
242.09213	21.1
247.11748	54.1
248.11977	1.4
266.05591	3.9
270.08704	50.5
271.30188	1.3
298.08218	27.4
299.05432	1.5
302.04318	1.4
317.06494	11.9
322.43222	1.5
379.27579	1.5
478.12341	34.6
478.18982	2.0
479.11578	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
53.37812	1.6
55.01864	2.6
55.05496	4.0
57.03411	1.6
57.07067	2.3
67.05508	3.4
68.91164	1.3
69.03428	10.6
69.07057	6.4
70.93950	1.8
70.94312	1.5
71.04970	2.6
73.02891	1.5
75.16539	1.5
79.05506	3.4
81.03429	7.5
81.07045	11.1
83.08604	4.3
85.02908	22.3
87.00838	9.6
89.71548	1.5
91.05480	2.5
93.07039	13.4
95.08593	21.6
97.02899	8.0
97.10156	4.2
99.04460	2.7
99.08081	8.3
105.01873	16.6
105.07016	3.2
107.08587	24.0
109.02860	6.1
109.10140	5.5
111.08067	3.0
121.10135	39.3
123.11703	2.2
125.09634	1.6
127.03894	15.1
135.04366	2.5
135.11676	11.5
137.13268	3.9
145.05025	7.4
145.10170	1.9
149.13232	2.5
159.02887	2.9
163.03906	2.7
177.16374	100.0
178.16757	1.6
195.17439	13.8
213.18459	14.5
219.04700	1.6
231.04977	5.3
242.09120	2.8
249.05867	2.0
270.08682	3.6
407.20264	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.05510	2.1
55.13868	1.0
57.03435	10.6
59.95655	0.8
68.40115	1.0
69.03416	2.5
69.20941	5.9
71.04990	73.9
73.02915	2.6
75.04475	2.9
77.03932	1.3
79.05490	9.3
81.03417	1.6
83.04980	9.3
85.02901	100.0
87.04459	2.5
91.05483	8.1
93.07042	49.3
95.04961	3.9
95.08601	1.4
97.02885	2.8
99.04455	1.9
102.52949	1.0
105.04501	1.4
105.07030	3.3
107.05002	1.1
107.08597	9.3
111.04449	5.2
117.06949	1.2
117.91765	0.9
118.99455	0.9
127.03916	4.0
129.05470	42.9
133.06505	1.4
135.11681	17.1
145.04936	5.3
147.04613	1.0
147.06519	23.0
147.11681	2.8
149.06056	1.1
151.11246	1.1
161.05954	2.3
163.06023	1.7
164.09209	6.5
193.08635	1.4
201.12709	1.0
255.08546	1.3
273.09613	2.2
309.11884	1.5
310.08942	1.2
362.70380	1.1
478.20145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05508	13.7
56.21468	1.0
57.03431	3.4
57.07079	2.1
62.06081	32.2
67.05498	30.1
69.07059	13.3
69.81274	3.9
71.08645	1.1
76.94582	1.0
77.00491	1.0
79.05484	9.5
81.07050	30.2
83.04972	1.4
83.08616	6.9
89.98127	1.0
91.05458	5.4
93.07047	8.9
95.05004	1.1
95.08601	22.2
95.09211	1.2
97.06504	2.4
97.10184	3.9
98.06052	1.5
98.98466	10.6
105.07016	3.3
107.08585	5.0
109.10159	6.5
110.83138	1.0
119.08572	3.6
121.10140	4.0
123.11707	2.8
123.69604	1.1
124.01614	2.6
127.83717	1.2
133.10136	2.2
135.11678	1.9
147.11638	1.8
149.13309	1.2
155.01003	6.0
161.13248	1.3
163.14864	1.0
173.02151	1.9
192.91534	1.2
198.05235	2.6
216.06331	4.7
245.22661	2.2
263.23581	5.3
275.61514	1.2
304.90060	1.0
306.27945	10.1
337.27322	100.0
338.27554	4.1
415.10834	1.3
460.28168	3.8
478.29697	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03934	1.0
55.01859	0.7
55.05507	14.6
57.03431	8.1
57.07063	2.1
62.06075	0.7
65.13573	0.4
66.24083	0.6
67.05499	28.8
69.07063	17.2
69.19115	3.6
71.04974	0.9
71.08620	0.8
79.05040	0.7
79.05484	8.0
81.07050	26.1
82.07379	0.6
83.04993	1.3
83.08615	7.2
85.06530	1.2
87.26789	0.5
91.05479	5.4
91.83280	0.5
93.07037	7.5
95.04965	0.8
95.08600	18.9
97.06524	1.3
97.10140	3.4
99.08121	0.6
105.07022	4.3
107.08580	4.7
109.10143	7.6
109.23551	0.5
111.08072	0.9
119.08562	3.9
121.10155	3.3
123.11696	2.8
125.09588	0.7
133.10135	3.1
135.11670	1.8
137.13258	0.8
147.11684	1.5
149.13268	0.9
151.14868	0.7
161.13243	1.5
263.23651	1.4
306.27844	2.4
314.59668	0.5
337.27328	100.0
338.27765	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	479.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69573	3.4
54.94570	3.1
69.42673	8.4
69.43077	9.2
70.84175	3.2
73.01208	3.0
75.34062	3.1
81.96305	3.5
94.93004	8.7
98.22653	7.4
112.89593	15.1
114.89334	71.3
120.95882	3.5
120.96621	20.9
122.96514	4.2
136.94003	100.0
148.93979	19.3
150.97644	5.6
154.98694	3.2
166.95076	32.1
178.95111	4.8
180.98721	6.6
196.89609	7.4
196.94987	21.2
203.82706	4.7
214.89375	23.4
214.96207	6.0
226.96269	10.6
246.72633	3.7
256.90454	24.3
256.97897	21.1
298.91336	4.0
298.98813	8.3
319.66806	4.4
353.77899	3.7
381.07901	94.1
403.06027	15.9
419.03464	63.2
421.03171	4.0
427.28485	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1547
Annotation	Belalloside A
Peak:m/z	Relative Intensity
52.03170	0.4
53.03951	0.5
55.01862	0.8
62.44806	0.4
63.28376	0.4
65.03928	3.5
67.05499	2.0
69.03429	1.8
71.21360	0.5
75.08632	0.3
76.11298	0.4
77.03911	0.6
81.03413	4.8
85.02891	1.5
93.03421	1.9
95.04955	2.1
97.02880	1.7
99.04478	0.6
105.04524	0.7
108.02086	3.4
109.02903	1.8
110.03698	0.4
111.04450	2.7
121.02827	0.9
122.07139	0.5
123.04438	0.4
125.05963	2.6
127.03864	0.9
131.04912	0.5
136.01523	0.4
137.05956	1.4
139.15598	0.4
141.05438	2.9
151.03899	100.0
151.05003	10.6
152.04259	1.4
163.07585	0.5
169.04948	5.2
169.06319	0.6
177.05498	1.4
178.05815	0.6
181.04951	0.7
191.07013	0.5
205.08524	0.4
215.06966	0.6
229.08633	0.5
231.13420	0.4
233.08047	0.9
253.34464	0.4
257.08075	0.4
289.05148	0.4
291.86343	0.4
295.08078	5.2
313.09183	1.7
448.36987	0.4
471.78030	0.4
479.18335	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95181	0.3
54.97598	0.3
64.71471	0.3
68.86921	0.3
70.44347	0.7
81.07036	0.3
85.02863	1.3
85.69321	0.3
87.00775	0.4
93.07011	0.5
98.97578	0.4
103.12830	0.4
105.07027	0.5
127.03880	0.5
133.10092	0.8
145.04848	0.3
163.03897	0.4
185.04169	0.5
197.88138	0.4
203.05284	2.0
213.12651	2.4
225.12791	0.5
227.05414	0.5
229.03264	0.4
231.13574	0.8
245.06313	5.3
255.13783	1.2
271.04178	1.2
283.40942	0.3
287.03680	1.7
289.05276	57.9
290.05594	1.2
393.18689	0.6
435.19986	7.0
479.18890	100.0
480.19186	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	479.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49163	1.1
55.05501	2.3
65.03926	1.1
67.05494	7.2
69.03432	3.1
69.07076	1.1
79.05494	3.1
81.03407	3.8
81.07044	5.8
85.02925	3.5
91.05478	4.5
93.07052	2.8
95.04988	3.1
95.08606	3.4
97.02922	1.5
97.06521	1.7
104.11617	1.1
105.07005	5.7
107.08620	3.5
109.02882	2.8
109.06529	1.3
109.10148	21.7
109.10885	1.3
111.04435	2.2
117.07058	2.3
119.08602	3.5
121.10168	1.9
123.04425	1.8
123.11770	1.0
125.06007	1.0
127.03951	4.0
128.06279	1.3
129.07019	1.3
131.08572	4.2
133.10149	2.0
139.03889	1.6
143.08580	1.3
145.06476	1.2
145.09145	1.0
145.10062	5.7
147.08028	1.6
147.11624	1.1
149.05986	1.6
156.09406	1.3
157.10188	2.4
159.11745	1.9
161.05952	1.2
161.09647	1.2
165.09186	1.3
175.07619	1.8
185.13356	2.6
187.14902	4.4
203.05307	2.5
203.07057	1.4
203.14290	6.7
213.12720	3.4
227.05328	1.4
229.12100	1.2
231.13741	14.7
245.06339	6.5
249.14977	2.1
271.09308	1.9
287.03879	2.0
289.05261	85.2
290.05661	1.9
339.15903	1.3
397.12708	1.1
435.20221	12.1
479.19009	100.0
480.19284	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	479.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.5
55.05507	11.0
61.19375	1.0
67.05495	1.6
69.03417	1.4
69.07058	1.5
70.06605	1.3
71.42677	1.0
72.04515	3.7
79.05481	1.3
81.07033	2.2
83.04971	1.5
83.08620	7.4
83.28374	1.1
84.04508	11.4
84.08149	1.2
94.39806	1.0
95.08611	1.3
97.06503	1.3
98.09687	1.8
100.07619	3.9
100.11254	28.4
105.07043	1.7
107.08547	2.6
111.04436	1.9
112.07620	3.1
119.08639	1.4
121.10105	2.7
126.09143	1.9
128.07127	1.3
129.90718	0.9
131.08586	2.1
133.10132	6.5
151.11186	1.3
154.12247	18.5
163.03928	1.2
171.14864	1.8
173.13254	1.6
180.94611	1.1
182.15392	18.4
199.18095	2.1
203.05360	2.1
210.14815	6.7
213.12537	1.2
227.05280	2.5
228.15973	2.5
243.06581	2.8
245.06311	9.9
271.06161	3.3
277.59122	1.0
281.18649	11.4
287.03674	2.6
289.05280	100.0
290.05594	2.4
299.05402	1.2
308.23364	1.1
309.21677	8.1
325.62595	1.1
375.17627	1.3
379.31073	1.2
380.29068	2.2
393.18893	3.9
435.19891	16.7
461.34900	2.9
479.18869	92.4
479.35849	29.1
480.19272	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	479.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50981	0.2
55.05514	0.4
58.02061	0.2
65.16788	0.2
67.05482	0.4
69.03424	0.4
69.07061	1.4
69.73682	0.7
74.10024	0.2
79.05469	0.3
80.20048	0.2
81.03408	0.3
81.07048	1.4
83.08620	0.3
85.02896	0.6
89.98291	0.2
91.05479	0.3
93.07051	0.3
95.08583	0.4
97.02888	0.3
98.22827	0.4
105.07016	0.4
107.08576	0.3
113.06298	0.2
119.08602	0.3
121.06533	0.5
121.10111	0.3
123.11680	0.4
137.05992	1.2
140.27855	0.2
143.08542	0.3
145.06406	0.3
147.08055	0.7
147.11739	0.5
149.05956	0.3
150.06760	0.3
151.07515	0.3
155.08565	0.6
157.06528	0.3
159.08089	0.5
161.09616	0.4
163.07567	0.5
165.05591	0.3
167.92078	0.3
170.10948	0.3
173.09654	1.5
175.07559	0.4
175.11240	0.3
177.05457	0.3
183.07959	0.4
187.07504	3.5
189.09087	1.0
195.06541	0.7
201.09094	1.3
203.10649	7.5
204.10983	0.4
215.10631	2.4
216.11490	0.4
229.12199	0.7
243.17543	0.4
247.09430	0.2
256.14612	0.7
257.15347	0.3
257.65808	0.3
271.16910	2.6
272.17679	3.8
289.18008	0.3
294.48282	0.2
317.17444	100.0
318.17758	4.9
455.41199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.8
57.07057	1.5
66.14890	0.9
67.05486	3.9
69.07068	7.1
69.22937	4.5
71.08611	0.9
79.05474	3.6
81.07040	7.0
83.04974	20.6
83.08601	3.2
85.06548	1.7
91.05469	8.8
93.07035	8.0
95.08586	6.5
96.36518	0.9
97.31908	0.9
101.06001	2.8
103.05447	1.6
104.50313	0.8
105.04514	1.1
105.07017	21.3
107.08588	9.9
109.10135	5.3
115.05431	1.3
117.07014	17.6
119.08561	9.8
121.10160	4.4
129.06952	2.0
130.07802	4.7
131.07642	1.7
131.08560	18.6
133.10100	6.0
143.08521	4.1
144.09305	2.5
145.10112	83.3
146.10497	2.8
147.11696	1.3
157.10181	1.9
158.10910	1.5
159.11676	26.1
161.13240	3.1
163.11185	1.5
169.10201	1.0
173.13231	5.3
183.10158	2.3
198.87685	0.9
201.16364	100.0
202.16704	3.6
219.17455	4.2
219.93018	1.0
234.18321	0.9
239.96210	1.0
445.28970	1.1
461.26849	1.4
475.65222	1.0
479.27469	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	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.7
57.07067	3.5
58.38580	1.4
64.33183	1.1
67.05486	3.6
69.07064	6.0
71.43413	1.6
71.47472	1.0
73.68082	1.2
74.00651	1.1
79.05482	3.4
81.07041	11.3
83.04969	30.6
83.08603	2.3
85.06551	2.1
91.05472	6.6
93.07052	7.5
95.04958	1.3
95.08599	9.8
101.06006	11.5
105.07021	18.7
107.08582	11.9
109.06516	1.7
109.10146	4.8
115.05468	1.3
117.07018	12.0
119.08569	15.4
121.06424	1.5
121.10126	6.3
123.11735	1.6
125.09566	1.8
129.07014	2.5
130.07776	7.1
131.08571	15.7
133.10109	7.0
135.11673	2.5
137.86205	1.2
143.08499	3.7
144.09293	2.1
145.10112	100.0
146.10480	2.3
147.11621	1.9
149.09554	1.8
157.10138	2.3
159.11676	36.3
161.13248	11.6
163.11142	5.0
164.63078	1.2
167.47162	1.3
171.11703	1.7
173.13237	4.1
175.14816	2.2
177.12654	2.1
177.16269	1.9
177.32945	1.2
183.10173	4.8
191.17953	1.5
201.11200	2.6
201.16360	92.5
202.16721	3.2
219.17421	39.3
220.17830	1.6
245.15363	1.2
261.18454	1.5
279.19565	1.3
411.16226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03458	2.4
55.05528	1.1
64.92111	1.2
79.05498	2.9
81.04532	92.4
85.02896	2.0
89.03912	13.1
91.05480	3.9
94.04031	1.7
95.04959	2.7
97.02898	2.2
98.77752	1.3
99.05586	1.8
105.06964	1.5
106.04027	4.1
107.04900	6.0
109.06373	7.7
109.10129	1.7
110.07142	1.6
117.03376	12.9
119.04969	2.8
121.06543	1.8
133.02817	3.5
135.04393	28.0
137.05927	1.9
145.02820	16.0
147.04416	5.5
148.03918	2.3
160.03973	2.2
162.05498	3.8
163.03891	100.0
170.07150	2.5
172.03915	2.8
176.07042	11.4
177.05391	1.6
181.07581	1.4
183.07884	2.4
184.06381	2.7
184.08708	3.8
188.06993	7.5
192.06477	2.6
194.04562	1.7
194.07065	2.4
195.07762	1.6
196.04935	2.3
196.08667	5.1
198.06538	2.6
199.07104	1.9
199.08678	5.2
199.39868	1.6
200.03441	4.1
200.08231	9.4
210.06613	3.0
211.07408	9.0
212.08127	17.4
213.08920	7.2
214.05957	3.8
215.06940	1.5
220.06126	2.1
221.05861	2.0
222.06602	4.9
223.07259	11.7
224.08180	7.7
225.05400	2.2
225.08997	6.0
226.06049	11.7
226.09648	3.2
227.08131	4.4
228.07677	19.1
228.11316	2.8
229.08386	18.0
230.09296	2.1
232.05917	2.4
238.06181	4.1
239.06816	22.3
240.07724	29.7
241.08441	26.7
242.09218	9.2
243.09842	5.0
244.10710	4.2
250.06064	3.0
251.06923	8.7
254.09219	31.4
255.07742	3.6
255.09966	4.3
256.08087	2.4
256.10791	46.5
258.08691	6.1
267.06360	48.8
267.09213	2.7
268.06958	2.3
269.07932	4.1
270.08643	7.1
271.09283	6.6
272.10269	66.0
273.10684	1.9
282.08701	57.3
283.09055	2.5
285.07202	1.7
286.08011	2.3
289.05139	2.7
299.08606	2.4
300.09753	95.0
301.10260	3.1
318.10815	98.4
319.11057	3.5
352.25565	1.5
364.82129	1.5
463.79181	1.4
480.13449	18.9
480.30362	8.2
481.14178	2.0
481.20721	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	480.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	3.3
63.02401	1.2
69.04548	1.3
79.05498	1.6
81.04535	92.7
82.05319	2.7
89.03909	15.0
91.05457	2.7
93.04556	1.3
94.04057	1.4
95.04964	1.1
95.06076	2.1
95.91832	1.0
99.05592	1.6
106.04027	2.1
106.86211	1.1
107.04919	4.7
109.06380	6.2
117.03373	12.7
118.06467	1.5
119.04977	2.2
126.95839	1.1
133.02878	2.1
133.06393	2.0
135.04401	26.1
137.06100	1.1
144.04425	1.1
145.02841	19.6
146.06073	1.6
147.04391	1.9
148.49683	1.2
158.05923	1.3
158.07153	1.5
160.03976	2.2
162.05547	2.4
163.03891	100.0
164.04210	1.2
169.07622	2.9
170.07199	1.5
172.03937	3.7
172.46309	1.1
175.03946	1.3
176.07048	10.4
182.07182	1.3
183.07895	2.6
184.06313	3.2
184.08694	4.5
185.07243	1.6
185.09457	1.8
186.06615	1.3
188.07033	11.5
192.06557	2.2
194.07153	2.7
195.07872	1.6
196.08696	3.9
198.06645	1.4
199.07179	1.5
199.08702	3.6
200.03468	2.8
200.08261	8.3
202.04945	1.5
204.06511	1.5
210.06589	2.6
211.07370	8.6
212.08171	14.9
213.06825	1.4
213.08870	5.7
214.06168	4.0
214.09666	2.9
215.06866	2.1
220.06120	2.0
221.05888	2.0
222.06627	3.3
223.07376	12.4
223.52383	1.0
224.08147	8.0
225.05333	2.2
225.08951	6.5
226.06078	15.6
226.09669	2.5
227.08176	3.4
228.07683	18.4
228.11243	2.6
229.08360	17.7
229.11905	1.3
232.06104	2.3
238.06253	4.7
239.06789	21.2
240.07729	28.5
241.08408	28.5
242.09171	9.0
243.06387	2.4
243.09779	5.4
244.10576	2.2
250.06190	3.5
251.06891	6.4
253.08549	2.0
254.09222	30.7
255.07654	5.3
255.09818	6.0
256.10788	40.4
258.08694	7.1
267.06360	48.0
268.06836	3.4
269.07892	5.1
270.08774	4.6
271.09250	7.0
272.10281	58.1
273.10690	2.2
282.08704	55.9
283.09000	2.0
285.07458	3.5
286.08127	3.2
298.08496	1.8
299.08444	2.0
300.09763	80.1
301.10110	3.0
318.10815	94.9
318.16766	2.4
319.10980	3.4
480.13666	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	480.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
53.19098	1.7
54.96039	1.7
55.01865	10.2
55.05497	1.8
57.03425	7.1
61.02921	7.8
61.50264	1.7
65.57081	1.4
67.05499	2.6
68.25376	1.7
68.99778	3.4
69.03425	36.8
69.12801	1.8
69.24358	8.9
70.72317	1.5
71.04986	5.8
73.02914	10.3
80.05012	1.9
81.03410	35.6
81.07034	3.4
85.02895	100.0
86.29080	1.9
87.00821	42.4
91.03922	3.2
95.08595	2.2
97.02883	55.7
99.04439	17.0
105.01856	50.3
108.04450	10.4
109.02867	37.7
111.40428	1.6
117.01852	3.5
120.37800	1.7
123.31393	1.5
126.05523	2.7
127.03904	85.7
129.01846	4.6
140.76662	1.8
145.04942	44.5
147.02948	4.3
159.02884	24.8
177.03967	1.8
184.79485	1.6
189.03917	2.2
212.05557	1.9
213.03838	2.0
230.06604	4.0
231.04941	18.9
248.07605	5.6
249.05824	2.8
258.94000	1.6
329.26086	1.8
480.13339	2.2
480.19312	3.1
481.20242	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	480.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50901	4.2
66.01059	3.4
69.18913	3.7
69.19249	24.4
79.17711	3.6
122.03659	6.6
128.06230	4.0
129.06989	7.7
129.88927	3.2
131.04945	5.8
133.27789	3.6
134.92284	3.6
137.05975	100.0
151.03918	10.5
151.07503	4.5
157.06497	9.1
172.05231	5.4
174.06772	7.3
175.07396	5.5
187.07527	53.0
189.09085	26.1
199.07516	6.8
202.07748	4.3
203.08566	11.8
217.08525	19.8
219.08040	10.9
231.08014	13.8
232.08694	3.8
247.07628	10.1
248.08321	16.3
251.10713	5.7
259.07443	6.1
260.08386	7.1
263.10651	17.6
265.08667	6.2
276.07718	8.0
277.08521	7.2
279.10184	10.5
282.04965	4.5
291.10153	34.7
293.08188	9.7
296.10373	10.5
308.10458	9.0
311.12753	28.9
323.12793	95.8
324.12979	4.3
341.13788	27.8
372.86121	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	480.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	4.6
57.03436	11.5
69.03430	17.7
71.04990	41.7
73.02901	5.5
75.04499	6.3
85.02895	100.0
87.04430	6.0
97.02902	9.4
114.87566	4.6
121.02867	20.6
121.06497	7.4
127.03898	6.4
129.05458	34.7
135.71057	5.2
137.05962	19.5
139.03862	6.6
145.04930	11.5
147.06511	19.3
151.07668	5.7
155.06792	5.3
179.07010	7.9
184.13245	4.7
205.04652	26.1
206.05057	15.6
247.09659	10.5
251.05328	9.1
283.08282	7.3
354.51675	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	480.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.0
59.05001	76.9
61.02925	8.0
69.03413	37.9
70.06564	11.4
81.03404	23.3
85.02903	74.4
87.04455	83.1
97.02888	81.4
105.05497	88.0
109.02858	20.2
119.04888	10.6
121.02856	15.2
121.06522	11.9
123.04477	8.6
127.03899	66.7
135.04401	19.4
136.97130	6.6
137.02330	21.4
137.05986	7.2
145.04935	56.7
147.04369	11.0
151.03894	16.4
163.03885	100.0
163.05943	7.0
166.04997	10.0
231.08560	34.8
243.07751	11.3
249.09760	20.1
273.08719	26.3
301.11658	8.9
319.13040	36.5
396.20840	7.3
481.12991	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.6
57.03433	10.2
57.07073	1.9
57.36328	1.1
59.04981	1.8
61.02922	5.0
67.05492	1.9
69.03422	11.5
69.50258	1.9
69.50655	3.2
71.01335	1.3
73.02914	7.7
79.05483	5.9
81.03435	3.5
81.07052	5.0
85.02899	25.7
87.04463	1.5
91.05473	12.2
93.07037	5.1
95.04961	3.2
97.02879	16.0
99.04448	2.2
103.03932	2.0
105.07020	42.7
107.08592	6.7
108.84163	1.1
109.02863	2.6
109.06527	10.2
109.10164	1.6
115.03918	9.3
117.07033	1.6
121.06509	1.6
121.10145	1.5
123.11704	5.1
127.03879	9.1
129.06976	1.9
131.08574	4.3
132.06496	1.3
133.04950	10.5
133.10115	100.0
134.10477	2.9
137.02312	1.9
145.04935	8.9
145.10063	2.5
150.07648	2.6
151.11162	19.2
157.10060	1.6
163.06003	3.7
203.09077	2.1
205.04739	1.7
241.07051	1.5
247.13177	1.4
265.14301	2.6
481.12955	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	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.1
55.01874	10.4
55.05515	9.0
57.03442	7.7
58.54409	1.2
58.91801	1.3
61.02926	6.6
67.05503	13.5
68.99789	4.5
69.03425	43.9
69.07063	6.8
69.71151	3.0
69.71539	2.7
71.05007	7.3
73.02920	8.7
73.95042	1.6
79.05478	9.1
81.02955	3.1
81.03413	35.9
81.07050	30.5
83.04970	5.1
83.08614	8.5
85.02898	100.0
85.06549	3.6
87.00826	44.3
91.03922	2.4
91.05485	10.3
93.07054	10.7
95.08600	37.9
97.02885	30.7
97.06542	5.5
97.10168	5.1
98.23392	2.2
99.04462	11.7
99.08105	4.5
105.01861	34.1
105.07022	14.0
107.08596	5.5
109.02871	32.5
109.06487	3.5
109.10162	4.7
111.08122	2.1
113.09699	1.7
115.03885	1.9
117.01848	2.8
117.07019	2.3
119.08574	18.3
121.10139	9.0
123.08042	3.6
125.09675	1.6
127.03909	64.9
127.04864	3.2
127.07587	2.4
129.01849	3.6
131.08557	2.4
133.10117	14.5
135.08067	1.5
135.11674	9.5
137.13252	7.9
141.09094	3.3
145.04958	19.7
145.10107	2.2
147.04483	1.7
151.07645	7.4
151.08569	1.6
159.02887	14.4
159.11690	1.9
161.11887	2.3
161.13245	56.9
179.14299	73.6
180.14464	1.7
185.18623	1.5
197.15350	38.5
198.15762	2.4
213.03902	3.4
215.16428	7.3
225.34856	2.1
231.04962	14.5
249.05957	2.7
271.09348	3.9
272.09628	5.3
287.16376	3.7
289.05154	1.9
297.11737	1.5
305.17468	10.9
317.10266	1.8
318.10242	4.8
323.18484	2.5
365.19717	1.8
409.18298	7.9
420.61551	1.8
440.17746	2.0
480.13580	3.5
480.19806	3.5
481.20279	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	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
57.03432	11.7
57.32845	2.3
59.05000	4.0
61.02933	3.6
67.05486	4.1
69.03427	18.3
70.79957	4.0
73.02914	12.9
74.76592	2.3
79.05489	9.9
81.03414	5.5
81.07047	3.2
85.02899	29.9
87.04465	3.7
91.05476	27.9
93.07012	11.1
95.04960	4.1
97.02879	23.8
99.04451	2.7
103.05499	2.7
105.07020	52.8
107.04887	2.4
107.08588	5.2
109.02886	3.7
115.03918	14.8
117.07001	4.3
121.02846	11.7
121.06508	5.0
121.10153	6.8
122.03214	5.6
123.11687	8.1
127.03924	7.9
129.06999	4.3
131.08543	5.7
133.04982	19.7
133.10118	100.0
134.10475	2.8
136.05183	3.0
145.04970	7.5
145.10098	4.0
149.09619	4.1
151.07585	4.6
151.11098	13.1
153.12712	2.8
161.09645	2.5
168.06587	3.5
175.11162	3.2
181.04982	7.9
193.80930	2.5
195.06676	2.7
223.05977	3.0
247.13283	3.2
251.22173	2.6
265.14319	6.9
276.80997	2.6
283.15387	4.5
285.52026	2.5
295.10223	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89534	0.4
69.27691	1.8
75.04465	0.7
78.04697	0.6
79.05471	1.0
80.06282	0.9
90.04697	1.1
91.05473	3.2
93.07079	0.5
95.04941	0.8
98.23434	0.7
98.80199	0.4
103.05450	0.5
105.03427	0.5
105.07012	1.2
106.04171	0.5
107.04941	5.8
108.05721	2.7
109.06525	0.7
115.05473	0.4
117.06989	0.7
120.05745	0.5
121.06470	2.4
123.04435	0.5
129.06947	0.6
131.04910	1.2
133.06493	1.4
135.04372	2.1
135.08005	0.9
136.05186	5.2
137.05959	2.4
138.06718	1.6
138.73463	0.4
139.07466	0.4
145.06462	1.2
146.07245	1.0
147.04343	0.4
147.08011	2.2
148.05173	6.8
149.05928	0.8
150.06749	1.3
151.07521	100.0
152.07886	2.2
153.09026	0.6
157.06444	0.4
159.08011	1.6
160.08746	1.0
161.05975	3.0
161.09633	0.5
163.06160	0.5
163.07500	4.2
164.08238	1.2
165.05460	0.9
165.09091	6.0
166.06242	10.9
167.07001	2.6
171.07994	0.7
172.08823	1.1
173.05991	1.1
174.06715	0.7
175.07529	1.4
176.08327	2.7
177.09087	10.0
179.07013	0.9
179.10654	2.3
180.07774	0.7
181.08572	61.5
182.08958	1.3
186.10475	1.0
187.07494	1.2
188.08296	2.9
189.09093	3.7
190.09880	1.0
191.06953	0.5
191.10638	5.1
193.08607	2.8
195.10109	2.3
201.09088	1.4
202.09897	2.3
203.07091	0.4
203.10637	5.3
205.08443	0.6
205.12231	0.4
207.10135	3.1
209.11687	0.4
216.11383	1.3
217.12218	5.0
219.10149	0.7
221.11688	2.7
233.11728	2.1
235.13206	0.6
247.13260	2.0
265.14227	0.4
308.60559	0.5
321.14844	0.4
333.46292	0.4
339.15906	1.2
353.17398	1.9
354.18158	3.1
355.18814	0.5
370.17715	11.7
371.18167	0.7
385.20041	31.5
386.20410	1.5
403.21106	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	480.3081
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05509	15.8
57.03431	5.8
57.07068	5.2
62.06087	28.7
67.05495	9.2
67.83681	1.3
69.07059	22.1
70.01656	3.8
71.08643	2.1
79.05499	3.7
81.07054	13.3
83.08614	14.7
85.10184	2.3
93.07041	4.2
95.08611	13.1
97.06540	1.8
97.10157	8.3
98.98449	9.7
107.08584	3.8
109.10165	6.4
121.10143	4.5
121.62509	1.2
123.11693	1.8
124.01603	1.6
135.11696	3.5
135.43253	1.2
141.83244	1.2
155.01013	7.4
172.12064	1.2
188.57236	1.2
198.05321	2.5
216.06392	3.6
265.25360	3.1
308.29471	9.5
339.28912	100.0
340.29236	5.2
419.25650	1.7
462.29694	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.52261	0.8
55.05259	1.2
55.05506	14.5
57.03438	6.0
57.07071	7.7
66.33909	0.9
67.05499	9.9
69.07061	19.4
69.49499	3.7
71.08607	2.7
74.71436	0.7
79.05486	4.4
81.07040	11.3
83.08615	11.1
85.10162	1.1
93.07027	6.4
95.08605	12.3
97.06515	2.2
97.10178	6.3
98.22639	0.9
105.04514	0.9
107.08584	4.8
109.10133	4.5
111.08087	0.8
111.11716	2.4
121.10120	5.3
135.11671	3.9
149.13281	1.9
153.12654	1.0
174.45415	0.8
175.88820	0.8
265.25101	2.1
339.28903	100.0
340.29208	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	480.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18366	0.8
55.05498	1.8
56.05024	1.2
57.03427	0.8
58.06591	1.9
60.07872	1.1
60.08160	17.3
67.05496	0.7
69.07074	1.4
70.09171	1.6
71.07372	5.9
72.41260	0.6
76.88484	0.7
79.05471	1.6
81.07035	1.2
83.08595	1.0
86.09700	47.7
93.07013	1.4
95.08581	1.4
97.06512	0.9
98.22688	0.8
98.98450	3.9
104.10734	100.0
105.11078	1.0
107.08598	0.7
121.10129	1.1
124.99993	27.0
125.81432	0.6
135.11647	0.7
146.06711	0.6
146.98161	1.6
152.21519	0.7
162.99498	0.7
163.01596	0.7
179.72696	0.6
181.02599	1.0
184.07327	99.2
185.07579	0.8
224.25137	0.7
238.00412	0.6
258.11044	1.0
297.24063	0.8
329.37781	0.7
379.15948	0.8
385.06345	0.7
437.20230	0.7
462.29633	8.1
480.30853	21.8
481.23477	4.3
481.29984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08989	1.5
55.05511	10.4
56.36776	1.3
58.06565	1.8
67.05492	12.3
69.07061	10.6
70.60696	2.8
71.04955	1.5
75.65293	1.3
77.39176	1.5
79.05495	10.1
81.07049	27.8
83.04978	17.4
83.08617	2.8
85.06519	4.1
87.21243	1.2
91.05468	19.6
93.06454	1.6
93.07037	31.2
95.04947	5.3
95.08595	24.4
97.06512	5.2
100.81628	1.6
101.05993	1.3
105.04562	1.6
105.07016	44.4
107.08581	23.7
109.06524	11.0
109.10128	7.5
111.08080	2.2
117.07007	15.8
117.30367	1.4
119.08572	43.5
121.06480	6.1
121.10129	19.8
122.09649	3.0
123.08061	3.6
123.11679	3.8
128.06223	2.1
129.07019	3.2
129.72632	1.3
130.07767	2.3
131.08549	21.9
133.10106	30.3
135.07996	2.2
135.11684	8.1
138.98312	1.4
139.07678	1.3
142.07759	5.4
143.08534	8.0
144.09325	8.5
145.10110	9.9
147.11667	17.4
149.09547	2.0
149.13248	17.5
156.09323	2.1
157.10117	18.0
158.10953	1.6
159.11681	100.0
160.12032	4.4
161.09612	3.9
161.13245	24.1
162.13612	1.4
171.11618	1.6
173.13271	8.8
175.11148	3.5
175.14784	4.2
177.12738	46.4
187.14760	2.4
189.16382	15.2
191.14317	2.6
192.07079	1.3
199.14804	17.2
217.15845	30.0
218.16478	1.4
235.16844	9.5
262.21790	3.3
280.22617	8.0
480.26328	4.6
480.33090	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
65.03938	3.4
69.03407	0.4
72.10394	0.4
79.05469	1.0
81.03404	0.5
81.07040	0.5
83.08626	0.3
85.02887	0.6
89.03905	0.6
91.05466	2.2
93.03385	3.8
94.68394	0.3
95.04971	0.5
95.08600	0.3
97.02882	0.4
105.06995	0.6
107.04946	4.4
107.08582	0.6
109.02883	0.3
109.10185	0.3
111.04435	12.7
117.06953	0.4
119.04937	0.9
119.08585	0.7
127.03899	0.4
131.08521	0.7
135.04405	14.4
137.05946	0.8
139.03886	21.9
143.04921	0.5
143.08513	0.5
145.10153	0.5
147.11665	0.4
157.10086	0.3
159.08029	0.5
159.11681	1.7
163.03897	9.2
165.06989	1.4
168.13908	0.4
171.04411	6.3
171.11951	0.3
181.04938	22.7
182.05257	0.7
187.14818	0.4
193.06503	0.6
211.07549	0.4
213.05502	0.7
215.14349	0.5
233.15327	1.4
237.05359	0.6
241.04927	100.0
242.05309	3.1
255.02795	0.6
255.06502	4.5
265.04782	0.5
283.05991	16.6
283.10666	1.8
284.06137	0.6
289.05225	1.1
301.07025	15.2
301.12250	0.6
302.07263	0.7
435.10687	1.5
437.11978	0.6
463.10135	3.0
481.10840	3.6
481.18680	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	481.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01917	0.5
69.08958	3.7
70.06586	0.8
70.07243	0.5
75.59063	0.5
81.03395	0.6
81.04526	0.6
85.02925	0.6
90.28074	0.5
98.23516	1.2
103.22392	0.5
106.06531	2.2
108.08095	1.0
124.07590	1.2
125.07063	0.7
134.05995	1.4
137.05974	0.7
143.08113	3.3
145.02788	0.8
151.03877	6.0
152.07048	4.3
161.05943	0.7
163.03853	1.1
167.03125	0.8
170.08060	2.9
174.10478	0.6
177.05489	1.6
184.04913	0.5
185.04192	1.4
207.24461	0.6
215.06758	1.7
217.04712	1.4
227.05339	2.7
232.07033	13.4
233.07797	7.9
245.08313	0.6
271.04144	3.1
330.49319	0.6
395.12970	4.4
419.20956	0.6
437.14145	31.1
438.14722	1.4
451.12622	0.6
463.12238	0.6
464.15314	0.9
481.13113	100.0
482.12744	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88495	0.4
67.05495	0.4
69.25677	1.8
70.37985	0.4
80.41209	0.3
80.51340	0.4
81.07040	1.0
85.02910	0.6
91.05510	0.4
91.96555	0.4
94.79844	0.3
95.08588	0.4
105.07025	0.4
119.78508	0.4
127.03883	0.5
137.06027	0.5
145.10080	0.4
151.11145	0.4
185.04214	0.6
197.88623	0.3
201.12415	0.4
215.14412	1.2
227.05328	0.7
233.15175	3.7
261.14636	1.5
275.16190	0.4
289.05417	0.5
377.19302	0.6
395.20395	12.2
419.20145	0.7
437.21439	27.8
438.21750	1.4
481.20413	100.0
482.20773	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	481.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32869	0.5
67.05495	1.1
69.03458	0.7
69.07059	0.7
70.04263	1.5
79.05523	0.7
80.47218	0.5
81.03403	0.6
81.07063	2.1
85.02918	0.6
91.05487	1.6
93.07043	1.8
95.08603	2.2
97.02914	0.7
105.07040	2.3
107.08582	2.8
109.06506	0.6
109.10169	0.7
119.08569	5.2
123.11696	1.6
126.91910	0.6
127.03919	0.9
131.08588	1.6
133.10118	25.8
134.10464	0.8
135.11678	3.8
137.05988	1.7
145.10132	0.8
147.04373	0.8
147.11728	0.8
159.08093	0.7
175.14833	6.2
185.04230	0.9
203.05289	2.5
209.25217	0.5
215.14218	1.1
227.05319	1.0
233.15222	2.6
245.06335	6.3
271.04224	0.9
287.03885	1.6
289.05264	70.8
290.05573	1.1
372.00305	0.6
395.20477	1.3
409.67441	0.6
437.21396	16.5
438.21771	1.1
481.20422	100.0
482.20926	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	481.2046
Annotation	Briarlide H
Peak:m/z	Relative Intensity
65.24978	0.5
67.05514	0.5
69.03421	0.9
69.07069	0.7
69.19272	0.5
70.92529	0.9
79.05492	0.9
81.07064	1.4
85.02902	1.6
86.43384	0.6
91.05482	1.0
93.07032	1.1
95.04958	0.8
95.08614	1.3
95.13802	0.6
103.59576	0.6
105.07034	1.6
107.08589	2.3
109.02884	0.9
109.10179	1.1
119.08588	4.6
121.10085	0.9
127.03922	1.3
131.08557	1.6
133.10138	1.2
135.11742	0.7
147.11595	0.6
171.11646	1.2
173.13303	0.6
175.14822	1.7
183.53830	0.5
185.04262	0.7
203.05232	1.3
215.14256	2.2
227.05241	1.2
227.26140	0.5
233.15273	3.8
245.06293	6.1
271.04187	0.7
284.52115	0.5
287.03659	0.6
289.05255	24.4
290.05627	0.8
369.75339	0.6
395.20364	3.3
419.20544	2.9
437.21463	9.8
438.21725	0.8
463.19330	14.9
481.20425	100.0
482.20807	5.4
495.34018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53211	0.8
78.89783	0.4
81.07021	0.5
93.07038	0.6
119.08572	0.7
133.10146	1.6
135.11678	0.7
139.03951	0.7
141.79720	0.4
147.04442	0.4
157.55560	0.4
176.45970	0.4
188.59462	0.4
204.22408	0.5
233.15167	2.8
245.06357	1.2
267.70648	0.4
289.05344	2.8
377.19516	0.6
395.20447	7.8
437.21490	28.4
438.21890	1.2
463.19330	0.7
481.20520	100.0
482.20874	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	481.2044
Annotation	Briarlide H
Peak:m/z	Relative Intensity
55.01367	0.6
55.05503	0.8
64.60062	0.5
67.05485	0.6
69.07056	1.1
69.07825	3.2
69.53465	0.4
79.05524	0.7
81.07051	1.0
85.02905	0.6
91.05511	1.1
93.07043	2.4
95.08604	1.6
105.07033	1.4
107.08575	2.8
109.10149	1.0
119.08550	2.3
121.10094	0.7
123.08057	0.6
131.08463	0.5
133.10112	1.3
135.11742	1.1
137.09613	0.6
137.13263	0.5
145.10072	0.5
147.11673	0.6
163.03896	0.6
175.14818	1.5
203.05260	1.4
215.14240	1.0
227.05266	1.9
233.15161	2.8
245.06308	5.4
259.48621	0.5
271.04202	0.9
289.05270	22.8
294.78113	0.5
377.19022	1.1
395.20328	4.3
419.20474	3.3
422.24628	0.5
437.21445	14.8
438.22089	1.4
463.19339	22.5
463.25894	1.1
464.19629	1.2
481.20410	100.0
482.20627	5.1
497.18488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19290	1.2
66.63079	1.2
68.77573	1.4
69.25446	1.3
69.40801	7.5
95.08630	1.3
98.22688	1.5
99.60048	1.3
99.61139	1.2
107.08630	2.5
116.24181	1.3
119.08528	1.7
155.05957	1.4
159.11699	1.8
159.31068	1.3
173.09663	3.9
215.14342	4.9
233.15207	5.8
289.05444	2.2
395.20361	7.1
437.21442	23.8
438.22058	2.3
481.20444	100.0
482.20779	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	481.365
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61382	2.0
78.26551	1.6
81.07052	2.6
88.29555	1.4
89.06026	2.4
92.32027	1.4
92.62417	1.3
107.08614	1.5
133.08626	1.6
152.61765	1.3
156.19948	1.3
272.15057	1.7
451.35458	6.3
481.36499	100.0
482.36862	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	481.365
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34424	0.9
69.43746	3.2
84.34403	0.7
89.06019	1.3
115.64308	0.7
133.08607	1.7
147.91473	0.7
151.61211	0.7
175.10873	1.0
329.24438	11.4
356.88776	0.9
397.30765	2.1
451.35391	4.6
481.36493	100.0
482.36838	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	482.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.7
53.03944	4.7
55.01861	1.2
60.48467	0.8
62.95158	0.9
69.03420	12.3
70.06583	2.4
71.04961	1.5
78.03443	16.8
80.05020	2.7
81.03407	23.2
85.02888	7.3
89.12775	0.8
91.05486	0.9
96.04458	5.1
97.02896	6.1
99.04421	2.0
106.02901	66.7
107.03218	1.3
109.02865	15.2
119.04960	3.6
119.71062	0.9
121.06510	0.9
122.07132	1.1
124.03935	100.0
125.04240	1.1
127.03899	7.7
137.05972	8.4
147.04408	6.7
151.03925	1.6
152.07057	1.0
160.87593	0.9
163.03877	1.8
166.04973	1.0
179.07008	2.4
196.05829	1.1
208.59174	0.9
232.06009	3.6
250.07086	35.5
251.07265	1.0
264.53296	0.9
268.08127	47.2
293.19254	0.9
321.10818	1.0
337.00360	0.9
464.15555	3.3
482.12860	7.4
483.14630	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
59.58576	0.8
65.03931	1.5
69.03429	3.8
70.06584	2.6
70.15513	2.1
70.15868	1.4
77.06438	0.9
78.03460	8.2
79.05488	2.3
80.05016	2.8
81.03419	10.5
81.04533	10.7
85.02889	4.5
87.92189	0.8
91.05477	16.8
94.04194	1.6
95.04977	1.3
96.04500	2.4
97.02885	2.5
99.04435	1.6
106.02905	37.6
107.04964	2.8
109.02861	6.9
119.04929	31.5
121.06583	0.9
122.03635	5.3
122.07137	33.6
122.07999	1.7
124.03940	74.0
127.03880	5.0
135.04440	4.4
137.05960	100.0
138.06288	1.8
140.08154	8.7
147.04393	72.2
149.05995	1.4
151.07538	3.2
158.00011	1.0
163.03886	3.7
166.04956	1.4
167.07065	4.9
179.07021	38.8
181.04938	14.1
197.08127	5.1
204.11740	0.9
226.06955	1.3
232.06169	1.4
243.07693	0.9
250.07074	22.6
268.08130	40.9
269.08316	1.2
281.66788	1.0
321.10696	2.5
374.74561	1.0
434.08344	2.0
434.14426	39.3
435.14590	1.8
464.15741	5.2
482.18558	11.2
483.13806	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	482.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01867	7.5
55.05510	1.6
57.03432	4.4
58.94059	1.3
60.04522	1.3
61.02934	3.9
62.26823	1.1
65.03932	1.0
67.05516	2.1
68.99784	2.5
69.03426	21.1
69.37291	4.6
69.38820	1.3
71.01393	1.2
71.04981	3.4
73.02916	3.8
81.03410	18.6
81.07047	1.4
81.73045	1.1
83.04986	1.3
85.02898	58.2
87.00825	19.9
87.04448	1.4
91.03924	1.4
91.05478	1.9
93.07059	1.7
95.04946	1.2
95.08613	1.6
97.02895	15.0
98.03217	1.2
99.04456	6.6
103.03957	3.0
103.05458	2.3
105.01858	24.0
105.07018	1.5
108.04477	2.8
109.02872	26.7
109.03551	2.1
115.05479	3.1
117.01864	2.6
117.07029	1.3
121.02863	16.1
126.05529	1.8
127.03900	36.0
128.06219	16.5
128.07079	1.6
129.01897	2.2
129.07004	2.9
131.04926	3.9
131.08563	1.5
132.05724	3.1
133.06557	1.2
137.05995	1.7
139.03879	7.9
141.06990	1.6
142.07790	1.8
143.04904	1.3
143.08571	10.1
145.04964	18.2
145.06155	2.1
147.02826	2.0
147.11708	1.2
152.06207	8.9
153.06958	10.9
155.06076	2.1
157.06508	2.1
157.09962	1.4
159.02888	12.3
163.03915	1.2
169.06512	4.2
171.02800	1.4
171.08032	20.4
173.13284	1.6
181.06413	16.5
182.07310	1.5
183.22087	1.1
184.05211	5.0
189.03969	4.4
197.05984	2.0
198.06787	3.8
199.07526	100.0
200.07877	3.5
209.07042	2.7
210.14990	1.6
213.09061	9.5
217.15862	3.3
223.07538	5.2
225.09213	2.6
227.07120	1.5
230.06540	2.0
231.04996	8.0
231.06932	1.6
237.09143	4.4
239.07001	2.8
241.08553	6.2
248.07623	2.7
253.08607	4.9
265.08649	8.0
279.10181	2.6
279.31995	1.2
283.09631	2.0
289.08588	6.1
295.09680	1.4
307.09583	9.3
325.10770	4.8
396.20557	1.4
411.10706	1.3
429.11987	2.4
438.21625	2.7
464.31171	1.3
482.20810	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	482.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
57.03430	0.8
57.94133	0.4
65.03947	2.1
69.03422	3.7
70.06580	0.8
71.04969	0.5
73.02898	0.5
80.97018	0.5
81.03410	9.1
85.02882	3.6
93.06981	0.7
95.04960	5.7
95.08595	0.5
97.02884	6.3
99.04457	1.4
102.49010	0.4
107.04939	1.0
107.08571	0.8
109.02874	3.9
109.10147	0.5
111.04456	2.9
114.11683	0.4
115.03904	1.0
121.02856	100.0
122.03171	2.2
127.03899	4.0
133.05031	0.6
134.06044	0.5
135.04399	0.5
135.11673	1.1
137.05939	1.2
139.03896	20.0
139.04976	1.0
140.04240	0.6
140.07056	0.5
145.04961	1.4
151.07513	0.5
153.12733	0.8
161.06004	1.2
174.25072	0.5
181.06192	0.5
207.10234	1.1
265.07047	13.6
283.05002	0.7
283.08109	13.9
386.79056	0.6
482.17023	1.0
483.18134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
53.49964	1.0
55.01868	4.0
55.05510	10.0
57.03442	3.4
61.02920	3.5
61.36705	1.2
64.37270	1.0
68.99783	1.3
69.03419	11.8
69.31295	5.5
70.06574	1.7
71.04987	47.7
71.51946	0.9
71.63683	1.1
73.02919	3.0
73.06549	2.2
74.64775	1.0
81.03416	14.8
83.04472	1.9
83.04970	38.5
85.02897	32.1
86.03268	1.0
87.00822	16.7
97.02887	17.6
99.04446	100.0
101.06010	22.7
105.01871	10.0
106.36306	1.1
108.04510	1.4
109.02869	13.5
117.01857	2.7
117.05486	31.9
119.07084	5.7
121.02845	1.8
127.03889	24.2
129.01831	2.0
145.04942	10.3
147.02867	1.5
151.03870	1.3
151.07501	1.1
159.02875	9.4
181.08569	2.6
199.09642	33.5
213.03987	3.6
217.10698	27.4
231.04944	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	482.202
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	0.9
70.06577	2.0
70.68787	0.6
79.05483	1.4
81.03416	0.7
81.07045	0.5
85.02899	1.4
91.05471	1.3
95.04977	0.6
95.08532	0.4
96.28007	0.3
97.02868	0.6
106.06549	100.0
107.06879	0.9
118.06527	1.7
119.73762	0.4
123.04420	2.1
124.07580	2.3
137.05969	9.1
137.07004	0.5
148.07556	0.6
153.05536	0.6
173.69476	0.4
182.05713	0.4
192.08080	3.9
197.08072	2.5
207.04137	0.5
210.09148	0.7
220.07599	3.2
226.08597	0.7
238.08611	14.2
256.09726	1.5
264.10486	0.4
268.11777	0.6
270.11206	2.2
286.12866	1.5
466.02420	0.4
482.27194	0.6
495.24942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13214	0.4
51.15637	0.4
52.16621	0.3
54.57697	0.3
55.01862	0.6
68.80434	0.3
69.03419	0.4
70.53233	0.7
70.53555	0.4
74.94533	0.3
79.05486	1.2
80.76171	0.4
81.03401	0.6
81.13657	0.4
83.04969	0.5
85.02897	1.2
91.05488	0.8
95.04961	0.6
100.06078	0.3
105.03353	0.3
106.06548	100.0
107.06882	1.6
118.06524	1.1
118.71688	0.3
123.04414	2.2
124.07561	2.1
126.40697	0.4
127.03926	0.5
130.76241	0.3
133.05211	0.3
137.05963	9.0
145.02869	0.5
148.07588	0.7
153.05481	0.5
177.05534	0.5
192.08110	3.1
197.08032	1.9
203.77022	0.4
210.06805	0.4
210.09201	0.7
212.07092	0.4
220.07556	4.0
226.08575	0.7
238.08615	12.3
256.09601	2.1
264.11664	0.4
268.11713	0.6
270.11221	2.1
286.12756	2.0
393.55106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74034	1.9
53.03952	1.9
55.01850	1.7
55.05507	10.4
55.30064	1.9
57.03427	5.8
59.91115	1.6
61.02919	2.2
67.05490	8.9
69.03425	3.6
69.07051	4.4
70.06592	5.5
71.04979	5.4
79.05501	10.6
81.03411	39.1
81.07060	13.0
83.04982	8.3
83.08614	11.2
85.02902	20.8
89.03871	2.2
91.05482	16.3
93.07038	6.4
95.04951	12.2
95.08604	4.1
97.02886	5.3
97.06509	3.0
99.04500	2.2
105.07027	10.5
107.04978	3.5
109.06531	3.5
109.10148	2.8
111.08074	5.1
112.07613	4.1
115.61810	1.7
117.03436	2.3
119.08553	9.1
121.06512	3.3
121.10136	6.9
127.03888	2.8
128.82750	1.9
129.07002	5.9
131.08546	7.4
133.06557	2.0
133.10089	6.0
135.04385	2.0
137.09666	2.0
139.11191	2.3
145.02824	5.7
146.03203	2.2
147.04396	2.0
147.11682	9.4
149.09590	2.8
151.03918	2.9
157.10103	7.9
158.08118	2.4
163.03868	13.3
175.11177	10.0
177.05470	11.0
193.12247	30.4
193.57635	1.6
199.13275	4.3
211.13269	29.3
235.13266	2.9
253.14276	3.2
267.15918	9.3
285.16946	100.0
286.17203	5.1
482.22546	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	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77285	1.2
55.01873	6.5
55.05499	2.1
57.03434	14.3
59.04999	1.8
61.02911	4.5
63.52636	1.1
65.03925	1.2
67.05493	7.3
69.03425	17.9
69.07057	5.6
71.01359	2.7
72.04514	2.5
73.02924	12.3
79.05500	2.9
81.03414	3.8
81.07045	5.5
83.08611	1.9
85.02898	45.3
87.04467	2.1
91.05457	5.0
93.07040	47.4
94.07377	1.3
95.04946	2.1
95.08598	18.0
97.02888	18.0
97.06516	2.7
99.04468	2.1
105.06998	2.0
107.08588	26.8
108.96758	1.2
109.02829	2.0
109.06496	1.3
109.10150	83.1
115.03906	10.5
117.24721	1.1
121.10169	1.4
125.13258	3.6
127.03896	9.1
132.06528	1.9
133.04956	14.9
135.11684	82.5
136.12042	2.2
145.04951	14.3
150.07607	3.4
153.12735	100.0
154.13011	2.4
163.05975	10.2
169.12244	1.7
178.11803	1.1
181.05025	1.3
209.13326	1.2
214.86371	1.3
241.07111	2.3
259.08099	3.4
261.14749	1.8
267.15887	2.4
277.40298	1.1
297.16946	19.5
315.17966	3.9
358.05115	1.5
483.13959	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01859	3.0
55.05493	1.4
57.03180	1.1
57.03432	13.9
57.07063	1.4
58.65203	0.7
59.04985	3.2
60.04507	1.5
61.02930	5.9
67.05504	6.7
67.16515	0.7
69.03423	43.9
69.07057	6.8
69.88931	1.3
71.01337	1.6
71.04990	1.8
73.02911	38.1
75.04463	1.0
79.05479	3.3
81.03403	6.1
81.07058	5.1
83.04976	1.2
83.08618	1.7
85.02898	57.4
87.04461	23.8
91.03944	1.8
91.05457	5.8
93.07037	41.4
95.04968	1.7
95.08600	16.8
97.02885	49.1
97.06532	4.5
99.04453	4.0
103.03931	2.0
105.07017	1.4
107.04974	0.9
107.08582	22.0
109.02854	4.2
109.06509	1.2
109.10146	73.9
115.03922	45.6
115.04562	0.6
119.08534	1.7
120.09373	0.8
125.13271	3.6
127.03908	13.9
133.04956	45.3
133.10158	1.1
135.11679	75.0
136.11992	0.8
145.04939	16.8
146.74036	0.7
150.07597	8.7
151.03918	1.2
153.12729	100.0
154.13048	2.2
157.05009	1.3
163.06017	8.4
169.04878	1.3
169.12190	2.4
175.06038	1.1
181.05003	1.3
181.22581	0.8
193.05017	1.2
216.10417	0.8
217.07054	1.0
223.05991	3.1
241.06999	6.0
249.14915	1.3
259.08057	7.8
261.14883	1.6
267.15887	11.7
277.09177	2.9
279.16034	0.9
285.16898	4.4
295.10187	6.9
297.16934	17.1
315.18079	3.2
407.50320	0.8
408.15427	0.8
429.21094	1.1
482.16867	1.1
483.14526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	17.6
65.03938	7.5
67.05507	19.3
69.03423	71.3
70.21540	15.2
71.79404	6.2
73.02929	7.6
79.05496	11.1
81.03409	7.9
81.04533	16.3
81.07056	14.5
83.04969	9.7
84.29252	5.6
85.02911	73.4
87.04465	50.0
92.70010	5.1
93.07050	18.8
95.04930	5.9
95.08577	7.0
97.02885	72.0
107.08620	22.0
109.02849	7.7
109.10166	19.1
115.03924	86.8
121.10210	6.9
122.07165	73.1
123.11651	5.3
127.03932	19.2
133.04948	79.9
135.11673	36.8
137.05971	10.8
140.08186	12.8
145.04964	27.1
146.06044	5.4
147.04514	7.1
150.07631	10.7
151.83516	5.9
153.12743	60.7
163.06030	14.8
181.04935	100.0
181.06381	7.3
182.05249	6.7
221.97528	5.9
237.72714	7.1
255.15891	8.3
295.10391	7.4
350.43887	6.3
439.15790	15.2
482.17514	23.0
483.14432	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.9
57.03431	28.2
61.02913	5.7
67.05496	13.7
68.23241	4.6
68.99360	4.9
69.03423	26.0
69.18414	26.4
71.01328	6.9
73.02910	18.4
79.05486	11.5
81.03394	8.7
81.04533	5.6
81.07040	8.0
83.04972	5.8
85.02896	88.7
87.04456	6.1
89.03950	5.3
93.07059	34.0
95.08582	12.2
97.02899	31.9
100.95493	4.4
103.03984	5.6
107.08585	32.3
109.02866	9.7
109.10145	22.2
111.04413	5.7
115.03927	18.5
122.07141	10.7
123.11697	14.1
127.03916	25.0
133.04977	23.0
135.04407	11.4
135.11668	56.6
139.03857	6.3
145.04993	46.5
153.12723	100.0
153.13864	7.6
163.03897	42.9
163.05981	34.2
181.04958	9.8
235.09360	6.6
285.16574	5.3
295.57901	5.2
361.09509	5.2
427.91373	5.0
439.15750	12.4
482.17334	4.8
483.14618	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58397	14.7
67.05492	31.6
79.05482	40.3
81.07053	37.0
83.04985	47.0
91.05475	63.6
93.07034	56.0
95.04955	100.0
97.06522	44.5
101.06014	26.6
101.10263	17.3
105.07011	43.1
109.06525	27.8
109.10146	40.2
115.05427	20.4
117.07001	60.7
119.08563	40.3
121.06473	24.0
128.06192	39.8
129.07002	45.0
131.08546	53.2
133.10097	22.3
139.07515	18.8
143.08537	70.0
145.06445	26.0
145.10141	37.2
147.08064	40.2
157.10143	30.3
159.11667	22.0
161.09625	50.5
165.09128	53.4
183.11699	27.9
187.11124	24.6
189.09183	26.0
191.77744	18.2
199.14929	28.2
201.12810	17.1
226.04803	16.5
229.12193	27.1
247.13287	26.5
247.37164	17.9
265.14325	50.4
282.38196	17.3
482.30981	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19751	10.2
72.61594	10.0
79.05440	13.0
83.04958	16.2
85.06526	13.8
87.04449	26.2
91.05466	51.2
95.04955	19.3
102.66671	10.8
105.07023	37.2
107.04957	12.0
117.07037	26.3
128.06229	38.0
129.07011	17.1
131.08562	53.2
133.10017	12.0
141.06917	15.6
141.60059	11.8
143.08504	68.5
145.06487	15.2
145.10103	26.5
147.07997	19.1
149.02382	11.3
149.06174	12.7
155.08548	28.7
157.10027	18.1
159.11676	22.6
161.09586	59.1
163.07498	100.0
169.09991	17.0
171.08029	33.0
183.11641	22.3
187.11273	18.6
189.09084	21.2
193.99013	10.7
199.14705	16.6
201.12735	43.3
205.12289	14.1
229.12151	16.8
247.13318	19.1
265.14444	14.5
340.78818	10.8
341.59671	11.2
349.69455	9.9
372.82779	11.7
482.31137	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	482.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.9
55.91269	1.7
57.03423	2.0
57.07081	2.0
59.56791	1.3
65.03913	2.1
67.05499	12.6
69.03421	6.0
69.07051	5.7
71.04997	5.7
71.42884	1.5
79.05490	17.1
81.07050	25.5
83.04976	13.6
83.08618	5.8
85.06522	7.6
90.60344	1.5
91.05465	32.1
93.07036	24.9
95.04958	64.8
95.08593	29.2
97.02900	3.4
97.06538	8.8
100.74842	1.4
101.06023	3.2
103.05487	4.1
105.07017	100.0
106.07395	3.1
107.04958	2.1
107.08581	39.3
108.08139	2.0
109.06509	21.1
109.10138	11.8
110.09637	1.9
111.04417	3.1
111.08076	6.8
113.05965	1.7
115.05422	3.0
117.07008	13.0
119.08564	56.9
119.69300	1.5
121.06529	11.2
121.10133	14.0
123.08038	7.7
123.11697	2.8
125.05969	3.3
125.09586	2.7
127.07518	1.8
128.06201	3.2
129.06978	5.9
130.07793	4.4
131.08546	28.3
132.09361	2.0
133.06487	6.2
133.10115	23.5
135.08003	14.1
135.11693	6.1
137.05975	2.6
137.09618	6.4
138.09123	4.6
139.07484	3.7
141.06964	3.4
142.07762	20.0
143.08571	8.1
143.28316	1.5
144.09277	2.7
145.06465	1.7
145.10106	38.5
147.08037	6.7
147.11670	60.9
148.12088	1.9
149.09558	8.7
149.13246	4.9
151.11214	3.3
155.08574	2.5
156.09334	5.0
157.07564	1.7
157.10106	39.3
158.10822	2.1
159.08049	5.5
159.11670	34.4
160.08820	3.2
161.09618	16.8
161.13252	6.8
163.11171	5.6
163.14816	1.8
165.09148	2.5
165.12750	2.8
167.08514	2.6
169.10110	1.7
171.11705	5.5
172.12326	1.8
173.09604	5.9
173.13234	8.6
175.09645	3.6
175.11157	72.9
176.11497	2.8
177.09149	2.4
177.12767	7.1
177.16382	3.5
178.62923	1.8
182.10893	3.7
183.10114	2.9
187.14792	25.5
189.12721	63.5
191.10606	2.4
191.14268	3.8
193.05142	1.8
193.12215	34.5
197.13239	8.3
203.14261	2.3
205.15828	8.1
207.13870	1.8
215.14284	29.7
233.15338	35.9
237.07523	3.1
251.16379	7.4
256.26093	1.9
264.19617	5.6
282.20795	2.2
422.83554	1.9
482.30829	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.9
56.38896	7.4
65.30620	7.2
67.05497	16.2
69.03412	9.1
69.07056	13.3
71.04974	8.6
79.05487	15.8
81.07051	35.0
83.04968	23.3
91.05485	30.1
93.07046	24.6
95.04964	74.5
95.08600	29.2
97.02895	8.7
97.06493	18.0
105.07019	100.0
107.08566	38.0
109.06509	26.0
109.10202	10.6
109.57085	6.5
111.36461	7.1
117.06981	12.5
119.08553	62.8
121.06518	17.8
121.10105	17.6
131.08578	29.9
132.11806	7.6
133.10136	32.9
135.07986	13.3
142.07770	13.9
143.08546	11.1
145.10086	52.5
147.08075	14.8
147.11702	67.9
149.09654	13.3
149.69089	8.1
156.09317	8.5
157.10075	37.4
159.11650	37.9
161.09628	18.3
163.11145	10.3
171.11740	11.0
173.09558	15.1
175.11203	71.9
182.10886	7.1
187.14836	24.7
189.12718	68.2
193.12239	23.5
201.12807	8.2
215.14247	28.0
229.12270	9.0
233.15314	30.8
237.07587	9.3
359.39728	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	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.05024	1.2
57.03430	1.0
57.07069	2.9
58.06602	1.4
59.93134	0.4
60.08158	18.6
66.04911	0.4
67.05494	1.2
69.07050	0.9
69.45275	2.0
71.07366	6.6
71.08627	2.1
72.12064	0.4
81.07034	1.9
83.08624	0.6
85.10159	1.4
86.09695	48.4
87.10033	0.5
95.08584	1.6
98.98444	3.8
104.10732	100.0
105.11093	0.8
109.10133	0.8
118.97873	0.4
124.99991	26.6
137.96178	0.4
139.42902	0.5
143.60071	0.4
146.98178	1.3
155.35223	0.5
163.01537	1.0
184.07320	99.4
185.07741	0.5
253.60954	0.4
258.11041	1.3
299.25784	2.3
337.27432	0.5
464.24808	0.7
464.31311	8.2
482.32361	26.5
483.25089	0.5
483.32721	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63157	4.6
55.05507	6.2
57.07071	49.5
57.34011	4.3
67.05493	8.6
67.70958	4.9
69.07050	10.7
71.08617	34.8
71.42810	5.0
79.05488	5.6
81.07052	17.9
83.04980	7.0
83.08626	4.4
85.10184	28.7
87.04449	10.1
89.06023	76.8
91.05467	14.0
93.07028	16.2
95.08589	20.8
105.07018	40.7
107.08568	20.2
109.09364	4.4
109.10130	16.4
113.13219	5.1
119.08551	33.3
121.10094	8.4
123.11698	7.2
127.31968	4.4
131.08574	6.1
133.08591	43.7
133.10110	22.2
141.82936	4.4
147.11670	83.4
148.59767	5.8
159.11665	9.9
161.13278	14.9
163.14780	9.9
177.11180	18.7
181.86134	4.8
203.17937	100.0
221.19011	7.4
271.26407	5.6
283.17511	23.8
308.22894	5.5
317.17871	4.7
318.18109	5.9
465.37558	19.0
482.34335	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	482.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.0
57.07071	70.7
63.50289	0.9
69.07063	6.5
69.37754	5.3
71.08626	60.8
73.06544	4.1
83.08613	3.0
83.36820	1.0
85.10176	39.1
87.04460	2.8
89.06025	100.0
90.06404	1.1
91.07597	1.2
97.10147	3.3
99.11718	8.6
100.57141	1.0
107.07074	2.1
111.11730	3.5
113.13282	6.3
117.09130	2.0
125.13233	1.6
127.14825	3.7
130.08614	1.5
133.08589	64.6
135.10178	1.1
147.30750	1.1
151.38586	0.9
177.11206	24.2
183.21021	1.2
195.12247	3.8
221.13878	4.1
227.23726	1.6
239.14865	4.4
248.46542	1.0
271.26337	3.9
283.17499	30.5
315.28903	2.2
336.44040	1.0
341.69266	1.1
377.32764	1.8
421.35242	2.1
436.55734	1.1
465.37839	24.7
466.38000	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36766	0.8
53.88184	0.8
54.21972	1.0
61.38504	0.8
136.03937	1.0
219.06322	2.8
227.05220	2.5
229.16972	1.4
234.08591	12.6
235.09366	10.4
254.89357	0.9
271.04233	2.2
397.14734	5.3
439.15747	29.2
440.15671	1.1
467.13098	0.9
483.14648	100.0
484.14795	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	483.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99777	0.7
57.10500	0.7
59.77008	0.7
70.46816	1.3
85.02884	1.2
121.02875	1.4
132.02904	0.7
135.04344	0.9
137.05925	0.8
139.03839	1.3
158.36351	0.6
165.07074	0.7
169.10286	0.6
227.05147	0.9
235.09401	3.9
239.06982	1.1
271.04263	1.7
277.01514	1.1
297.34540	0.7
397.14667	10.1
419.23196	0.9
421.14685	3.2
439.15695	57.6
440.16165	3.2
483.14587	100.0
484.14841	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	483.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
55.48457	0.8
57.03433	2.0
57.98332	0.8
61.02933	1.5
67.05495	2.4
69.03434	7.1
69.76082	3.0
71.02531	0.8
77.61725	0.9
80.04953	0.9
81.03420	2.7
82.06575	1.1
83.04976	1.9
85.02890	9.7
87.04459	0.9
93.07016	1.3
94.06567	3.8
95.04969	1.1
96.08126	3.4
97.02883	3.2
97.06514	1.4
98.06049	2.7
98.23388	1.4
106.35239	0.8
108.08141	2.4
109.02934	1.2
110.06030	2.8
110.09692	5.2
111.04442	1.6
116.01993	0.8
120.08102	4.0
122.06023	2.6
123.06816	1.5
124.07611	1.0
126.05519	1.4
127.03925	1.2
130.06517	1.2
136.07532	1.1
137.08304	1.3
138.05498	3.7
138.08066	1.6
138.09125	26.8
139.03906	4.2
142.49211	1.0
144.08076	1.1
146.06023	1.4
148.07552	2.4
156.06544	22.3
166.08623	40.0
174.09213	0.9
182.09869	0.9
188.07031	2.0
188.10666	3.2
195.09109	1.2
196.09973	3.5
197.10620	1.6
197.45694	1.0
198.07571	1.5
202.08594	1.3
202.12276	1.3
206.08345	9.7
209.07184	1.2
211.08813	1.0
211.12308	5.8
212.09402	0.9
214.08609	2.5
215.09431	1.1
216.10204	3.9
220.09885	1.8
221.10738	4.6
223.08661	2.4
224.09444	4.3
225.10228	1.9
226.11061	1.8
227.08121	2.3
230.11752	1.9
232.09775	1.5
233.10526	1.0
234.11240	4.2
237.10168	1.7
238.11044	3.7
239.11752	10.7
241.09612	4.0
244.09618	1.1
252.08839	1.2
254.10408	1.0
255.11327	1.4
257.09128	1.1
257.12881	2.3
258.11118	4.4
262.10693	8.7
267.11240	31.4
271.10718	2.7
272.11539	9.9
275.13937	2.3
276.12271	9.9
285.12299	27.9
290.12564	4.5
303.13361	23.8
304.11746	9.2
321.14423	100.0
322.14658	4.4
419.04340	1.5
441.02832	1.0
483.14703	3.0
507.77609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66280	0.5
69.03420	0.7
79.05472	0.8
81.02921	0.5
81.03414	0.9
81.07055	1.3
85.02907	1.6
87.00851	0.9
88.54707	0.5
91.05423	0.7
93.07037	1.4
95.08601	1.5
97.02902	1.0
98.23473	0.9
105.01861	0.7
105.07020	2.1
107.08607	1.3
109.02840	0.6
109.10114	0.5
111.08056	0.5
117.07071	0.5
119.08575	0.8
121.10149	0.9
127.03888	0.8
131.08603	0.8
133.10150	1.2
135.11684	0.6
145.10132	1.9
147.08038	0.5
159.11650	0.8
170.01382	0.5
173.13173	0.6
173.37343	0.5
175.11206	0.6
187.14853	0.6
189.16449	0.6
199.14854	0.6
200.17383	0.6
217.15854	1.8
235.16911	5.4
270.40939	0.5
289.05200	1.3
321.16724	1.5
347.09714	0.6
397.22000	1.7
421.22418	0.6
439.23074	3.8
465.21051	1.4
483.21964	100.0
484.22226	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	483.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.8
69.03413	0.6
69.07042	0.5
73.69625	0.3
75.61875	0.4
81.07033	0.4
84.30797	0.3
95.08604	1.3
99.08055	0.4
105.23203	0.3
107.08600	1.0
109.10149	0.9
121.10138	0.9
127.03918	0.4
131.19211	0.3
131.70093	0.4
133.10091	0.4
160.09332	0.3
185.04271	0.6
227.05246	1.6
235.16646	1.5
245.06322	1.8
271.04239	0.7
289.05286	3.9
290.05777	0.6
291.05789	0.6
379.21167	0.6
397.21884	4.8
421.21857	1.6
439.23022	13.0
440.23462	0.4
465.20813	4.9
483.21927	100.0
484.22308	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	483.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.8
67.05504	9.2
69.03426	6.8
70.94007	7.7
81.03409	14.5
81.07052	18.4
85.02887	15.5
87.00834	6.9
91.05450	10.0
93.07027	13.8
95.08601	28.4
97.02966	5.4
97.06517	5.9
105.07034	22.7
105.83967	5.5
107.08607	12.9
109.10165	8.3
119.08574	15.7
121.10151	15.8
123.08066	12.8
130.95389	4.9
131.08571	9.8
133.06462	6.8
133.10092	11.0
143.08574	6.7
145.10112	11.6
157.10129	10.0
159.11736	9.8
161.09531	6.6
170.97177	5.4
173.13304	12.9
175.11192	28.3
189.16376	9.6
199.14780	10.6
217.15829	40.1
235.16905	20.0
241.66827	5.9
289.05283	13.6
347.09491	17.4
483.21948	100.0
484.22641	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	483.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43937	1.4
53.03937	3.3
55.01869	2.3
55.05509	6.7
67.05506	10.3
69.03433	10.9
69.07059	5.6
69.17596	1.3
71.04973	1.6
71.42245	1.7
79.05486	13.2
81.03416	11.1
81.07045	16.4
83.08608	3.9
85.02905	8.1
87.00813	6.6
91.05471	15.5
93.07037	29.1
93.76447	1.4
95.04962	6.2
95.08598	40.0
97.02878	7.6
97.06512	6.3
99.04425	4.0
102.01350	1.5
103.05468	1.7
105.01836	3.3
105.07021	48.3
107.04877	1.9
107.07896	2.4
107.08584	14.2
108.05725	1.9
109.02865	5.5
109.06509	5.0
109.10139	10.7
111.08073	5.6
117.06994	4.3
119.08574	44.2
120.08866	1.8
121.06490	4.9
121.10133	35.5
123.08057	33.6
124.08365	1.6
125.09594	1.7
127.03912	11.6
128.06151	2.0
129.06950	3.4
131.08563	14.1
133.06471	11.6
133.10120	16.3
133.48842	1.5
135.08028	2.9
137.09584	5.2
141.09161	1.6
142.07761	6.9
143.08578	9.3
145.04913	2.4
145.10095	17.0
147.08023	4.6
147.11678	12.4
151.07538	3.5
156.09254	2.1
157.10094	19.3
158.10892	3.7
159.11703	13.0
160.08774	5.4
161.09561	5.4
161.13213	3.8
171.11708	3.8
173.09470	2.3
173.13258	35.7
175.11169	100.0
175.14752	14.0
176.11559	4.1
187.11198	1.8
187.14825	6.8
189.16393	19.3
199.14812	14.9
213.03983	2.2
217.15868	73.7
218.16145	3.7
235.16916	21.9
241.65308	1.5
325.17871	1.8
483.21368	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	483.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79934	0.6
53.03930	0.8
55.05507	1.1
61.89616	0.6
69.03425	1.7
69.41686	2.6
70.06603	0.6
72.89082	0.6
72.95843	0.6
75.97569	0.6
81.03419	2.4
81.07063	0.9
83.04964	4.4
85.02902	1.3
91.05496	2.5
93.07028	1.1
95.04993	1.2
95.08606	1.3
97.02899	1.1
98.23407	1.4
99.04458	1.5
103.03967	0.7
105.07061	0.7
107.08606	1.6
109.02887	1.9
111.04444	5.8
117.07003	0.7
119.04917	0.7
121.06557	0.7
121.10155	1.5
126.67216	0.6
127.03142	0.6
127.03902	3.3
129.07053	0.6
135.11725	1.1
137.06013	1.1
145.06514	0.7
151.07559	2.0
163.03990	0.7
169.32771	0.6
175.07555	1.0
177.05499	2.1
179.07011	3.9
189.09184	0.9
207.06642	0.7
217.08488	1.0
235.16658	1.3
245.06319	1.1
259.09702	1.2
261.11209	3.1
289.05276	2.2
397.22012	2.6
439.23016	16.6
483.22006	100.0
484.22311	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	483.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01863	3.3
55.05511	2.6
57.03415	1.2
61.02911	1.7
67.05495	4.5
68.99772	1.6
69.03422	7.8
69.07059	3.0
69.29993	4.9
71.04974	1.6
73.02920	1.5
79.05494	7.1
80.14764	1.0
81.03416	8.7
81.07059	8.4
85.02898	19.2
87.00829	8.3
91.05452	7.3
93.07037	8.2
95.04945	2.5
95.08598	7.2
97.02874	7.2
97.06514	2.0
99.04443	3.5
105.01883	5.0
105.07018	13.5
105.07655	1.4
107.04932	3.0
107.08585	8.5
109.02869	8.1
109.06514	2.5
109.10144	3.5
117.07010	4.2
118.92680	0.9
119.04945	1.2
119.08568	15.1
119.09355	0.6
121.06486	3.5
121.10135	6.8
123.08062	1.6
127.03904	11.8
128.06177	1.4
129.01880	1.0
129.06990	3.4
131.08560	10.0
133.06488	9.0
133.10114	8.3
135.08073	6.1
135.11600	1.2
142.07755	1.9
143.08578	7.4
145.04958	4.9
145.10127	3.4
147.08061	4.0
147.11681	7.4
147.12654	1.1
149.09612	4.5
157.10124	6.2
159.02878	5.3
159.11717	6.4
161.09641	5.6
161.13271	2.4
163.07576	1.1
171.11624	2.1
173.13210	8.4
175.11185	9.2
175.14767	4.3
177.12721	3.0
189.12724	1.5
189.16364	7.1
199.14775	9.6
213.03999	1.1
217.15858	35.3
218.16075	1.0
224.93120	0.9
231.04958	2.1
235.16907	100.0
236.17290	3.9
444.10321	1.0
483.21988	19.0
484.22357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01857	2.6
55.05507	2.7
57.03420	2.2
58.97860	0.6
61.02914	1.6
66.03551	0.5
67.05495	2.4
68.99767	1.6
69.03065	0.8
69.03423	12.5
69.07061	3.2
69.47401	2.1
70.06544	0.7
71.04986	3.2
73.02907	2.6
79.05491	3.0
81.03411	13.4
81.07056	9.3
83.04973	1.7
83.08632	0.6
85.02400	1.1
85.02895	16.1
85.06513	1.0
87.00823	8.6
90.17466	0.8
91.03970	0.8
91.05474	3.7
93.07047	6.1
95.04946	1.9
95.08582	5.7
97.02882	5.3
97.06512	2.2
98.22690	1.4
99.04441	3.8
105.01868	4.2
105.07022	10.7
105.09502	0.5
107.08585	8.8
109.02869	8.1
109.06525	1.8
109.10165	3.2
111.04445	2.3
111.08061	1.3
113.05976	1.1
115.03889	1.3
117.01831	0.7
117.06989	2.2
119.08569	9.4
121.06502	1.6
121.10117	2.9
123.08033	1.0
123.11719	1.2
125.09595	0.9
127.03902	13.7
128.06151	0.7
129.01793	1.1
129.05441	1.7
129.06985	2.0
130.07784	0.6
131.08560	4.7
133.06462	0.9
133.10127	7.6
135.08002	1.6
135.11682	6.6
137.09595	1.2
139.11142	1.5
141.06900	0.6
142.07796	3.1
143.08530	3.7
144.09314	1.3
145.02771	0.9
145.04968	3.5
145.05907	0.6
145.06448	0.5
145.10083	6.3
147.08046	1.1
147.11662	3.6
149.09634	0.9
149.13255	1.3
151.07536	1.5
151.11165	1.4
155.08540	0.9
156.09332	0.9
157.10110	10.6
158.10699	0.6
159.02876	4.3
159.11684	12.7
161.09589	3.3
161.13167	2.8
163.11186	2.1
171.06519	0.8
171.11682	2.5
173.13246	2.5
175.11127	4.9
175.14807	2.4
177.05484	0.8
177.12695	3.0
179.10637	0.8
187.14844	1.6
189.05545	0.7
189.16373	3.4
191.12535	1.3
191.14282	25.3
193.15869	2.3
199.14801	5.4
201.16423	1.4
205.15913	1.9
215.14291	1.1
217.15857	28.5
218.16199	0.7
219.17412	2.0
231.05005	2.5
235.16901	100.0
236.17224	2.8
255.06837	0.8
267.19727	0.7
295.32159	0.6
317.04596	0.6
483.13046	2.7
483.22403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.6
55.05500	3.2
67.05501	3.4
69.03410	6.7
69.07056	1.7
75.85130	1.5
79.05482	2.8
81.03400	2.9
81.07044	6.0
83.04977	1.3
83.08624	1.4
85.02878	6.3
87.00809	3.6
91.05487	2.7
93.07032	4.9
95.08593	4.0
97.02875	4.5
98.22713	3.8
99.04422	1.9
100.11256	2.3
105.01887	3.1
105.07010	7.0
105.40639	1.5
107.08585	4.9
109.02875	4.8
109.06547	2.9
109.07511	1.4
111.08064	1.6
119.08579	7.1
121.06534	1.5
121.10162	3.6
123.08115	1.5
127.03913	7.3
131.08516	3.8
133.06488	2.9
133.10104	3.6
135.08055	2.3
135.11685	2.5
143.08487	1.6
145.10072	1.8
147.08022	2.4
147.11636	3.0
156.13809	6.8
157.10156	2.1
159.11693	3.1
161.09613	3.7
163.03912	1.7
171.11711	1.9
173.02507	1.3
173.13252	5.8
175.11189	7.5
175.14754	2.3
177.12704	2.8
179.10764	1.3
184.13364	3.7
189.12732	5.0
199.14876	5.7
217.15808	12.4
220.50046	1.5
226.48923	1.5
235.16899	22.2
300.26553	2.5
312.55969	1.3
321.16580	2.2
329.99939	1.3
439.23163	1.8
475.47595	1.5
483.21948	100.0
483.39218	3.6
484.22406	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	483.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50042	7.9
55.05507	26.3
57.03455	9.7
67.05490	10.4
69.07066	33.4
75.40138	7.3
83.08627	25.1
94.36652	7.6
95.08599	11.8
97.46152	8.3
98.98466	21.0
109.10198	8.5
111.11755	8.1
142.29803	7.6
155.01109	12.2
158.05348	9.8
201.16510	10.0
203.17981	12.1
311.25708	100.0
368.38037	8.5
370.69406	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	483.3106
Annotation	Oncostemonol B
Peak:m/z	Relative Intensity
58.45089	1.6
64.23711	1.4
69.03431	22.5
69.07069	3.1
70.37769	1.4
71.43784	1.6
75.51920	1.9
79.05498	2.9
81.07053	3.9
85.06526	3.4
91.05473	3.6
93.07026	4.7
95.08604	5.4
99.08099	4.3
105.07016	12.7
107.08595	10.1
117.07015	2.0
119.04955	2.6
119.08575	11.5
121.10140	3.2
123.08096	1.8
131.08563	4.9
133.06480	23.6
133.10121	6.4
134.17412	1.5
135.08049	3.7
142.78247	1.5
143.08485	2.8
145.10168	7.6
147.08066	1.9
147.11703	1.9
149.09692	2.5
157.10168	2.7
159.08127	2.2
159.11642	3.1
161.09572	7.9
161.13271	3.8
171.11693	3.2
173.13312	3.8
175.11140	5.5
185.09535	4.0
187.11127	2.0
187.14766	7.4
189.12730	10.2
191.14316	4.6
199.11217	2.8
207.11694	2.1
213.12814	2.1
215.14273	2.6
217.12169	17.2
217.60753	1.5
229.16151	1.6
233.13300	1.9
249.16414	3.6
267.17361	4.9
306.79517	1.9
321.22064	2.3
334.09634	1.9
339.22977	10.1
351.23047	3.1
399.25262	9.3
405.27982	3.3
423.28995	14.1
439.28549	2.2
465.30020	6.2
466.69974	1.9
483.30945	100.0
484.31241	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	483.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29390	6.5
55.05503	15.1
67.05493	32.9
69.07066	34.5
69.42425	15.7
69.42813	16.6
74.31196	6.1
77.84848	6.3
79.05466	14.3
81.07050	43.7
83.08617	14.0
83.44233	8.2
91.05465	24.9
93.07034	38.0
95.04897	8.2
95.08598	62.7
98.23478	13.4
105.07024	74.8
107.08591	81.7
109.10145	79.0
119.08579	79.5
121.10142	61.6
123.08053	12.3
123.11684	19.4
131.08542	35.3
133.10112	100.0
135.11665	31.0
142.07765	10.3
143.08525	26.7
145.10123	83.3
147.11673	39.5
149.13254	23.4
151.11130	14.9
155.08533	16.4
157.10089	36.0
159.11694	42.2
161.13261	53.9
163.11134	10.7
163.14806	31.8
169.10110	14.6
170.10847	6.9
171.11632	35.4
173.13200	28.0
175.14798	67.6
177.09146	8.2
177.12857	8.8
177.16367	20.2
183.11684	25.6
185.13237	23.3
187.14789	53.1
189.16364	12.9
195.11803	8.5
195.13821	21.1
197.13251	19.6
199.14807	74.0
201.16353	75.9
203.14211	8.9
203.17950	15.8
205.15836	80.6
209.13225	8.6
211.14862	17.8
213.16380	31.3
215.14397	13.2
215.17947	30.0
216.75452	7.1
217.15833	9.7
223.16870	57.4
225.16418	14.9
227.17900	37.2
227.62151	8.5
229.15916	10.1
231.13683	7.9
239.17952	27.1
241.19382	14.0
247.16969	12.5
253.19463	64.4
253.69434	8.5
255.21091	18.8
257.18588	8.0
259.16956	20.7
261.18356	20.7
263.17676	9.0
267.21118	16.3
273.18402	7.9
281.18390	7.7
313.21521	28.3
331.24246	8.8
333.74573	8.1
340.01144	8.1
349.24973	9.3
386.75641	8.4
387.30066	35.7
405.31647	97.4
423.32544	83.0
433.30658	13.1
447.32315	22.5
451.31845	13.6
465.33514	34.6
483.34717	98.7
484.34790	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.5
57.07067	8.1
67.05487	33.5
69.07069	45.1
69.11107	46.8
79.05484	28.7
81.07044	91.8
83.08598	19.4
89.06032	15.5
91.05492	34.4
93.07034	71.5
95.08602	92.4
97.06517	7.9
97.10178	13.7
103.68301	7.8
105.07024	57.5
107.08580	70.0
109.10155	77.8
119.08570	59.7
121.10126	52.9
123.11695	29.0
125.09633	7.9
131.08580	15.3
133.10141	30.7
135.11678	56.0
137.13231	12.3
145.10117	32.7
147.11668	49.2
149.13254	25.7
159.11667	37.7
161.13222	29.9
161.28342	8.0
163.14809	26.1
173.13235	18.3
175.14844	25.3
177.16365	9.6
185.13242	10.5
187.00735	9.8
187.14830	20.4
189.16389	24.9
191.17957	9.6
199.14972	9.0
201.16327	20.9
203.17932	19.7
215.17947	16.2
217.19508	10.6
227.17964	12.1
229.19695	11.4
240.54491	8.8
249.55467	7.8
271.24158	16.0
281.04596	9.3
310.33960	7.8
375.28854	8.0
405.34863	12.5
427.31775	9.7
483.38196	100.0
484.46851	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	484.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27253	2.4
53.03948	14.6
55.01865	6.3
55.05489	4.5
57.03421	4.1
57.87405	2.7
61.02934	4.5
62.95784	2.4
66.12911	2.7
68.58073	2.7
68.99783	4.2
69.03423	21.3
70.94104	4.0
71.04989	6.9
73.02920	5.2
81.03410	44.7
85.02898	61.3
85.03402	3.6
87.00820	35.0
97.02887	41.1
99.04456	27.2
100.11224	7.1
103.03947	11.3
105.01856	24.1
109.02866	83.1
127.03904	100.0
129.01851	7.1
137.05927	3.1
143.38466	2.7
145.04929	28.2
147.02899	6.9
159.02905	16.1
163.05991	5.2
177.05501	6.5
182.15453	5.2
182.66141	3.1
187.05925	3.8
209.16470	4.4
213.03912	20.2
231.04997	43.4
248.16554	2.8
249.06084	9.7
273.05957	4.1
291.07083	10.2
357.07980	3.8
375.09219	8.6
393.10196	9.4
453.34119	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	484.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79166	3.2
53.03945	15.6
53.15682	2.9
55.01868	7.8
55.05504	6.0
57.03451	4.3
61.02906	4.9
67.25765	3.3
69.03421	23.8
70.06581	8.3
70.31184	7.3
71.04997	5.0
73.02901	7.9
77.30297	3.1
81.03413	44.0
81.07071	4.0
83.04962	3.7
85.02905	56.1
86.09704	6.5
87.00825	27.6
95.08628	3.4
97.02885	40.1
99.04452	26.5
101.06017	11.1
103.03930	11.3
105.01867	18.6
105.07016	7.0
109.02867	83.6
117.01844	3.4
121.02843	11.3
124.07579	11.8
127.03902	100.0
129.01813	5.9
137.05997	7.5
137.68849	3.5
145.04944	27.9
147.02866	5.1
159.02927	11.8
163.03816	4.8
163.05954	7.4
175.04028	5.2
184.07359	4.6
189.05460	31.6
207.06471	8.1
213.03886	16.4
225.40503	3.5
231.04958	41.1
236.17334	5.0
237.18394	4.2
249.06038	5.6
273.05945	4.5
286.10754	15.9
291.07059	11.9
357.08072	7.1
375.09088	12.4
393.10233	10.6
407.54596	3.7
484.17758	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	484.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01870	0.7
55.05506	16.3
57.03432	9.6
59.04990	2.6
69.03424	2.9
69.47173	2.8
70.06586	1.0
71.04982	0.7
73.02926	0.9
73.06550	9.2
73.88918	0.5
81.03421	3.5
83.04975	16.4
85.02904	8.4
87.00826	4.5
91.05495	0.6
97.02890	4.3
98.22726	0.8
99.04448	1.7
101.06011	100.0
102.06367	1.2
105.01865	2.3
109.02888	3.3
119.07046	39.5
120.07341	1.2
124.40266	0.6
127.03922	5.4
129.01799	0.6
145.04973	2.2
159.02881	1.7
183.10201	2.5
187.30917	0.6
201.11214	22.6
202.11638	0.6
219.12253	16.0
219.14249	1.1
336.02130	0.6
404.53214	0.6
422.66696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01860	6.0
57.03437	15.0
61.02932	8.8
67.05508	3.4
68.99799	4.5
69.03426	43.7
69.07067	30.5
71.04990	5.1
72.08168	1.8
73.02909	20.9
81.03413	23.7
83.04980	4.1
85.02901	100.0
86.09673	2.6
87.00825	40.3
91.05450	2.4
95.04948	4.2
97.02891	68.7
97.06516	2.5
98.09695	1.9
99.04459	11.7
101.02347	2.2
103.03927	15.4
104.43507	1.7
105.01863	71.6
107.04885	1.8
109.02876	30.4
110.03718	2.2
111.04456	5.5
115.03911	12.5
123.04395	4.9
125.02348	12.8
127.03908	84.7
129.01837	5.4
135.04323	2.0
139.03900	2.7
145.04936	29.5
147.02861	6.8
147.04408	7.7
150.07599	3.2
151.03903	9.6
159.02896	7.4
163.03909	2.9
169.04990	6.9
171.02927	3.0
181.04948	10.6
187.04018	1.9
187.05894	2.6
189.03938	24.3
193.04991	4.2
199.06007	3.4
200.22131	1.9
205.05026	2.8
211.05873	2.8
213.03897	11.7
217.07063	6.6
223.06035	13.2
231.04977	22.9
233.06523	3.0
236.12811	4.2
241.07074	13.9
249.06053	19.5
262.65741	2.0
273.06009	24.1
327.07117	9.7
345.08014	4.6
363.09189	9.6
484.15338	6.4
485.20709	8.6
486.36844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02800	2.2
53.03940	12.8
55.01866	11.8
57.03431	7.0
57.21776	2.4
61.02925	10.7
65.03932	2.3
67.05510	7.1
68.99789	6.4
69.03427	42.6
69.11479	12.8
69.11880	3.4
71.05002	4.3
73.02926	10.1
73.51355	1.9
79.05501	5.4
81.03413	47.1
81.07056	9.0
85.02897	100.0
87.00825	38.7
91.05483	11.9
93.07046	10.8
95.04971	2.6
95.08609	13.0
97.02885	34.1
98.23450	4.6
99.04446	15.4
99.78498	2.4
102.97606	2.1
105.01866	33.3
105.07022	24.1
107.08558	12.8
109.02879	41.3
109.10207	4.7
117.01858	6.3
117.07007	6.2
119.08571	18.4
121.10155	9.4
123.04494	3.1
123.11716	3.0
127.03902	78.9
129.01846	7.4
129.07039	2.2
131.08543	15.2
133.10153	8.8
142.07756	2.7
143.08511	4.2
145.04953	30.3
145.10104	33.9
147.02917	2.8
147.11694	6.2
157.10077	5.0
159.02884	29.3
159.11670	19.1
161.13255	28.2
169.10091	3.0
171.02742	2.5
171.11641	2.6
173.13251	5.5
185.13242	2.7
189.04024	2.5
189.16344	3.4
199.14819	2.4
201.16353	37.8
203.14299	3.2
203.17967	8.5
213.16409	5.2
217.15855	5.4
219.17484	9.2
225.16428	3.6
231.04948	16.7
243.17433	2.9
261.18585	2.9
269.50180	2.5
327.19498	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	484.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37742	24.3
55.05493	40.4
61.42148	28.7
62.97971	28.9
81.07038	58.3
83.04961	100.0
89.24530	24.2
91.05487	41.3
93.07029	30.2
95.04948	51.7
97.06551	31.2
98.93233	25.3
101.05980	26.6
105.07035	87.0
117.07070	36.9
119.08488	30.8
121.10145	25.6
129.07018	28.5
131.08560	40.5
143.08566	63.2
145.10126	87.8
147.08167	25.6
173.09581	29.9
173.91745	27.3
191.10658	43.7
231.13812	32.2
306.94083	24.4
307.32880	25.6
347.97412	29.3
410.94156	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	15.2
55.73483	10.2
65.32571	7.6
67.05487	16.9
69.07077	7.9
69.25504	48.9
79.05479	26.7
81.07044	23.3
83.04967	21.8
91.05473	73.2
93.07033	38.1
95.04959	19.4
95.08589	21.5
101.05990	11.4
105.07024	92.2
107.04948	11.0
107.08556	19.9
109.06460	14.5
115.05462	10.9
117.07022	44.6
119.08565	35.8
121.06535	16.3
121.10135	9.9
128.06210	23.5
129.06969	53.4
130.07780	11.4
131.08548	84.3
133.06490	15.0
133.10097	28.9
142.07753	19.5
143.08517	66.4
145.10120	100.0
147.08047	14.6
155.08534	24.8
156.09438	10.2
156.57410	8.5
157.10118	39.7
159.11690	21.5
161.09628	24.9
161.13184	16.1
171.11638	25.0
173.09615	76.0
173.13208	10.4
175.11092	12.8
185.13130	22.1
187.11156	10.8
189.12766	16.1
191.10651	18.3
203.14450	22.7
213.12732	25.0
219.13728	17.9
231.13812	39.7
249.14937	18.5
467.36420	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	484.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.3
65.03938	2.8
67.05493	11.2
69.03426	9.4
69.07072	3.5
69.09705	6.2
69.10114	14.2
71.04982	8.8
73.02845	2.6
79.05484	16.0
81.03394	7.9
81.07040	14.8
83.04974	15.9
85.02901	19.0
87.00816	8.8
91.05473	34.0
93.07018	20.4
95.04962	72.2
95.08586	9.3
97.02883	6.5
97.06507	5.8
99.04437	10.9
101.06003	18.3
105.01878	7.2
105.07016	63.2
107.04891	3.4
107.08578	10.8
109.02819	6.7
109.06502	16.3
115.05453	6.0
116.23714	2.4
117.07017	22.7
119.08564	29.4
121.06474	8.8
121.10146	5.6
123.08023	3.6
127.03907	14.9
128.06207	9.8
129.06999	15.9
130.07753	9.1
131.08546	38.7
133.06448	7.1
133.10106	19.5
135.08014	7.6
135.11668	6.1
141.06966	4.4
142.07767	4.1
143.08563	25.0
145.04922	7.3
145.06464	3.4
145.08965	5.2
145.10107	100.0
145.11227	5.5
147.08012	7.5
147.11682	9.8
149.09592	5.7
155.08563	7.7
156.09323	2.9
157.10110	12.2
158.10696	2.6
159.11682	25.0
161.09627	17.3
161.13219	6.2
163.07552	4.9
163.11162	4.7
169.10031	2.6
171.08076	6.3
171.11687	9.0
173.09589	21.5
173.13142	4.0
175.11171	5.5
185.13266	6.5
187.11230	4.1
189.12744	5.0
191.10672	10.7
191.14268	3.5
201.11113	4.2
201.12770	5.8
201.16344	17.9
203.14354	9.7
213.12776	8.5
218.95320	2.9
219.13829	3.3
231.05049	3.5
231.13728	11.0
249.14883	5.5
267.15729	3.3
299.57391	2.6
506.25354	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	484.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.7
57.03423	3.2
58.69216	1.7
59.65770	1.8
67.05492	5.3
69.03431	2.4
69.70395	4.8
71.04970	4.9
79.05483	3.2
79.51141	1.9
81.07039	4.7
83.04974	10.8
85.02914	2.3
85.06535	2.1
91.05480	6.1
93.07044	6.5
95.04961	100.0
95.08595	8.1
95.43015	1.9
95.54087	1.9
97.06526	3.7
99.04449	7.8
101.06006	10.1
105.07008	15.4
107.08611	5.9
109.06511	5.9
109.10136	2.8
111.08067	7.0
113.09631	2.2
119.08565	4.4
121.06506	4.3
123.08062	2.1
131.08569	5.8
133.10158	2.0
137.09612	3.7
145.04935	2.2
145.10117	10.6
147.11609	2.1
151.07550	1.9
155.10674	3.8
159.11720	2.2
183.10165	3.4
201.11285	4.2
201.16429	2.7
235.47769	2.3
267.15881	24.4
282.03339	2.1
300.68787	2.5
357.98846	2.0
454.58350	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.6
57.03424	6.7
67.05494	6.1
69.03426	3.5
69.07056	7.7
71.04997	8.5
79.05473	10.7
81.07040	9.7
82.70173	3.5
83.04971	54.6
85.06512	6.4
91.05477	16.6
92.21169	3.9
93.07031	20.4
95.04956	68.8
95.08597	10.7
97.02861	3.5
97.06519	7.0
99.04446	9.9
101.06002	28.4
105.07021	100.0
107.08611	16.0
107.22342	3.7
109.06495	11.2
111.08053	3.6
117.06976	7.3
119.08565	44.7
121.06503	8.7
121.10131	9.4
123.08064	10.9
128.06087	3.4
129.07022	5.4
130.07758	4.8
131.08592	16.6
133.06473	14.8
133.10117	13.5
135.08006	5.8
142.07738	4.9
143.08585	8.7
145.10107	51.0
147.07986	4.1
147.11629	5.3
149.09598	10.8
157.10120	8.2
159.11646	7.3
163.11177	14.9
171.11665	5.9
173.09586	9.6
183.10138	12.9
185.13194	6.0
191.10654	13.6
201.11191	13.3
203.14259	7.3
205.12225	4.3
205.80380	3.8
225.54340	3.0
231.13771	6.8
239.08098	3.8
321.89328	4.4
326.73566	3.8
339.73404	3.9
445.37738	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	484.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37524	2.9
55.05502	14.8
57.07063	7.2
67.05511	17.6
69.03422	4.9
69.07048	8.8
71.04971	8.0
71.42881	2.8
73.74821	3.3
79.05469	17.2
81.07037	25.1
83.04961	12.8
83.08615	7.2
85.06511	5.5
91.05460	30.5
93.07032	30.4
95.04953	68.1
95.08590	26.6
97.02890	6.9
97.06504	10.1
97.08829	3.5
105.07015	100.0
107.04943	3.2
107.08575	38.4
109.06516	22.9
109.10126	11.1
111.41475	3.1
115.05450	3.8
117.06998	12.1
119.08575	58.3
121.06499	12.1
121.10130	18.3
123.08054	8.5
125.09582	4.1
128.06201	5.0
129.06975	8.9
131.08580	34.6
133.06500	5.5
133.10115	27.1
135.08037	12.3
135.11662	7.5
137.09628	7.1
142.07748	20.9
143.08510	7.1
144.09331	4.0
145.10095	40.7
147.08052	7.5
147.11673	60.2
149.09645	8.0
149.13242	3.6
154.34967	3.5
155.08511	4.6
157.10097	34.4
158.10889	4.0
159.08032	5.4
159.11697	31.6
160.08800	3.3
161.09595	14.5
161.13158	6.0
171.11650	9.6
173.09624	5.0
173.13264	12.2
175.11163	78.9
177.12733	6.0
177.16267	4.2
187.14792	24.8
189.12744	62.5
193.12224	34.0
195.01741	3.6
197.13336	9.4
205.15884	9.3
215.14291	23.9
227.12773	3.1
233.15280	31.2
243.37621	3.5
251.16321	4.0
264.19553	6.2
293.13153	2.9
375.34952	3.6
468.46725	3.1
484.32849	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.05502	17.3
57.07073	5.0
67.05494	12.5
69.03421	7.2
69.07053	9.9
70.47123	3.4
70.47441	4.6
71.04990	4.9
75.65286	3.2
79.05476	17.8
81.07049	25.5
82.16574	3.3
83.04985	7.5
83.08621	5.5
85.06537	9.8
91.05468	28.0
93.07030	26.2
95.04354	4.0
95.04961	72.7
95.08606	37.5
97.02871	3.2
97.06535	10.2
105.07022	100.0
107.04952	3.1
107.08575	43.1
107.09259	4.3
109.06504	20.0
109.10164	10.8
111.08064	6.1
111.51709	2.9
115.05473	3.9
117.07017	16.1
119.04878	4.3
119.08567	60.0
120.08885	2.9
121.06528	15.1
121.10137	18.4
123.08057	7.6
125.06015	4.4
125.09613	4.0
128.06288	3.8
129.07016	9.3
131.08560	35.0
133.06512	4.1
133.10115	31.8
135.08054	9.5
135.11699	6.4
137.09662	6.0
138.09035	3.9
139.11237	3.7
142.07762	19.0
143.08556	14.0
144.09297	5.0
145.06502	4.1
145.10106	43.4
147.08076	5.8
147.11673	58.3
149.09615	13.2
149.13232	4.4
155.08569	6.1
156.09328	4.5
157.10106	45.3
158.10785	3.4
159.11697	33.7
161.09599	14.4
161.13245	10.0
163.11198	7.4
171.11670	7.7
173.09625	6.6
173.13274	13.5
175.11168	84.2
175.12656	5.7
177.12685	6.9
177.16409	5.0
182.10968	5.1
187.14789	21.9
189.12732	73.9
190.13069	3.4
191.14328	4.3
193.12207	36.9
197.13301	11.4
205.15814	10.5
207.13629	3.0
215.14317	30.2
233.15375	36.7
251.16248	6.7
264.19522	10.8
282.20712	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	484.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27475	1.8
53.03926	1.9
55.05498	7.8
60.12407	1.6
67.05505	8.8
69.07054	7.6
70.06606	2.0
71.04970	2.3
71.08648	1.8
76.34407	1.5
79.05489	9.1
81.07047	28.1
81.82574	1.7
83.04959	8.5
85.06512	2.8
91.05479	17.8
93.07027	25.8
95.04945	5.4
95.08593	21.2
97.06532	4.2
98.22720	5.1
101.06002	10.6
105.07016	43.6
105.80452	1.6
107.08592	22.7
108.08131	2.9
109.06503	10.6
109.10130	9.5
111.08055	2.2
117.07015	10.9
119.07162	1.9
119.08556	35.5
121.06490	6.9
121.10142	17.0
123.08029	2.5
128.06215	2.1
129.06990	5.4
131.08562	18.8
133.10123	23.8
134.10432	2.2
135.08043	3.0
135.11678	10.4
142.07774	5.7
143.08595	8.4
144.09328	9.4
145.10127	9.5
147.11685	16.5
149.13245	11.1
156.09308	3.4
157.10098	17.7
159.11679	100.0
161.09537	4.4
161.13258	15.2
171.11642	4.3
173.13223	6.3
175.11171	2.2
175.14812	3.0
177.12709	34.9
177.16243	2.2
184.50717	1.8
189.16354	13.2
199.14816	23.4
217.15872	48.2
218.16185	2.4
235.16985	13.6
248.20044	3.1
266.21072	5.4
277.41293	1.9
297.99683	1.9
302.04352	1.6
484.47214	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	484.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.05505	6.7
55.91181	1.4
57.07071	3.2
67.05501	4.3
69.07066	8.2
70.55540	2.1
70.55867	2.0
79.05488	5.5
81.07049	12.5
83.04974	14.8
83.08617	2.4
85.06553	1.9
91.05469	13.9
93.07032	11.8
95.04934	1.8
95.08606	13.3
101.06010	1.4
103.05473	1.7
105.07033	25.2
107.08574	11.8
109.10168	5.7
115.05418	2.5
117.06995	19.2
119.08569	18.1
121.10121	6.4
129.06993	2.0
130.07765	4.8
131.08545	23.0
133.10107	9.5
143.08543	3.8
144.09355	2.5
145.10112	79.3
146.10400	2.3
147.11662	2.7
157.10114	2.7
158.10896	1.6
159.11687	30.0
161.13225	7.7
161.69969	1.7
171.10098	1.6
172.12531	1.8
173.13235	6.8
186.41949	1.6
201.16367	100.0
202.16701	3.0
203.17909	2.1
219.17467	6.7
228.23328	1.8
247.99413	1.6
283.26584	2.2
302.43082	1.5
312.26196	1.9
396.13190	1.6
484.47186	6.7
485.28650	19.4
495.32184	1.9
498.18716	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.0
57.07081	2.2
67.05491	6.5
69.07047	5.2
70.05523	2.0
70.06601	2.2
71.43147	1.9
79.05480	6.4
79.87720	1.9
81.07043	11.6
83.04958	4.1
83.08627	2.2
87.54225	1.8
91.05472	8.5
92.14175	2.0
93.07035	7.6
95.08596	23.5
101.06005	11.8
105.07021	33.4
107.08581	16.1
109.10165	12.5
117.06974	1.9
119.07066	4.8
119.08556	24.3
120.08929	1.8
121.10142	9.4
123.11709	5.0
131.08530	3.2
133.10107	16.5
135.11650	2.4
145.10062	2.4
147.11668	71.2
161.13222	13.4
163.14827	6.6
175.14767	2.7
203.17929	100.0
204.18240	3.5
221.18967	3.7
228.19444	2.0
246.31096	1.9
311.29419	2.3
385.94312	2.1
397.71637	2.2
484.36258	6.7
484.46973	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	484.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.2
59.19505	2.0
67.05491	4.9
68.58028	1.8
69.07050	4.5
73.06551	2.8
79.05473	4.1
81.07046	14.9
83.04973	3.4
83.08576	2.8
91.05470	14.0
93.07033	10.5
95.08602	21.5
95.62746	2.1
101.06001	12.6
105.07028	37.8
107.08601	12.4
109.10152	18.9
119.07035	4.7
119.08576	27.7
121.10113	5.4
123.11697	3.7
131.08559	4.4
132.12117	2.1
133.10104	33.1
145.10130	3.7
147.11667	75.2
154.14131	2.5
154.51733	2.0
161.13257	16.6
163.14786	4.6
175.14830	3.7
203.17929	100.0
204.18253	3.3
221.18961	3.9
311.29453	3.0
324.57608	2.1
474.97552	2.3
484.47067	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	484.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
57.07071	34.7
69.07072	1.9
70.73990	1.1
71.07071	1.2
71.08624	27.5
73.06555	6.5
73.25536	1.0
77.80238	1.1
83.08617	4.5
85.10174	25.0
87.04481	3.8
89.06023	100.0
91.07551	1.3
95.44502	1.1
97.10132	1.3
98.22714	3.3
99.11745	3.9
107.07077	2.7
117.09126	3.1
131.06932	1.1
133.08592	48.6
134.08830	1.8
141.16362	5.1
177.11186	18.4
185.18987	7.2
198.20917	1.1
214.39597	1.2
215.73511	1.4
221.13817	3.2
229.21628	8.9
239.14906	1.5
241.60352	1.2
273.24158	5.1
283.17477	2.3
327.20053	10.0
376.42261	1.1
467.35803	12.5
484.47400	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	484.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
57.06783	1.0
57.07071	15.5
58.06595	1.9
67.05502	1.8
69.07059	4.0
69.61235	2.8
70.06591	15.5
71.08632	8.3
71.09776	0.7
73.02930	0.9
80.99370	0.8
81.07058	3.5
83.08617	2.1
85.10176	4.9
88.07629	20.2
95.08614	3.2
97.10151	1.2
98.22818	1.1
99.88147	0.6
102.09173	15.0
103.19608	0.6
106.08672	1.3
106.69223	0.6
109.10162	1.5
110.97665	0.7
115.69720	0.6
117.64833	0.7
122.69763	0.6
125.60692	0.8
126.91840	0.6
174.11815	0.6
184.20576	0.9
200.20065	7.0
228.23209	44.9
229.23462	1.5
246.24323	4.5
255.23262	3.2
256.26340	2.7
262.16956	0.7
279.69104	0.7
283.26294	49.7
284.26541	1.6
311.29385	7.5
369.86124	0.7
484.47220	100.0
485.47546	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	485.1058
Annotation	rostratin C
Peak:m/z	Relative Intensity
69.55801	8.7
70.06605	1.8
85.02902	1.9
94.25674	2.2
98.23432	3.5
103.05431	3.4
131.04884	4.3
143.08148	3.7
159.99799	2.2
209.49509	2.0
303.04663	2.4
363.06827	12.2
482.53424	1.9
484.28928	14.6
485.10495	100.0
485.17523	3.8
485.29346	4.5
486.10681	6.2
486.27039	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	485.1264
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
62.18200	0.7
65.05915	0.7
65.67341	0.8
70.06611	0.8
70.30344	1.1
70.70789	0.8
73.35656	0.7
109.03910	0.7
406.99002	0.7
407.73862	0.9
441.13629	2.8
469.46649	0.9
485.12613	100.0
486.12729	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	485.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01881	0.3
55.05518	0.3
57.28383	0.3
63.02363	0.8
63.98870	0.3
64.94875	0.3
65.03939	0.4
69.03406	1.9
70.06628	0.3
71.43134	0.4
71.78226	0.3
77.39201	0.3
78.04681	0.3
80.47501	0.3
81.03417	0.8
81.07042	0.4
85.02893	0.6
89.03907	10.0
91.05472	5.3
92.05807	1.4
93.07028	0.6
97.02891	0.9
101.05879	6.8
105.07013	0.7
106.04182	0.7
107.04946	0.4
107.08586	0.4
109.02879	0.5
109.06487	0.5
111.04434	0.6
113.02428	0.4
117.03371	25.8
118.03713	0.6
126.09144	3.3
127.03932	1.1
129.04395	0.4
134.03636	2.0
135.04407	2.9
137.05954	0.4
139.03876	1.9
145.02832	54.4
146.03185	1.3
146.77106	0.4
147.05101	1.0
149.05969	7.9
163.03888	7.1
177.05449	100.0
178.05789	2.3
181.04988	1.5
186.05521	0.9
288.12326	0.6
321.09616	1.3
339.10623	1.1
361.08963	0.7
486.17389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.5
69.24155	1.7
69.24548	0.9
70.06606	0.9
81.03412	1.3
85.02863	0.4
97.02877	1.2
99.70936	0.4
109.02866	3.3
111.05529	0.4
125.07110	0.8
127.03906	1.2
135.04424	0.6
141.05226	0.5
145.02824	0.5
163.03917	1.1
169.04956	1.1
187.06218	0.4
219.01837	0.4
224.25700	0.4
236.97169	0.4
247.08214	0.6
275.88956	0.4
301.45779	0.4
305.07809	1.0
323.08844	0.4
327.84222	0.4
467.15298	3.4
485.16290	100.0
486.16257	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	485.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71438	0.9
68.66372	0.9
69.93894	0.8
71.08958	1.0
90.09456	0.8
91.18729	0.9
109.02898	1.0
152.75549	1.1
193.14668	1.1
226.44688	1.1
485.12387	10.6
485.18048	100.0
486.18549	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96701	1.0
67.43748	1.1
71.44693	1.3
72.21445	1.0
74.28286	0.9
74.54849	1.2
76.06374	1.0
77.33509	1.1
79.05475	1.5
81.07077	2.0
85.02895	1.9
85.14388	1.1
91.05470	3.2
93.07007	1.4
94.04187	2.7
98.23479	3.2
105.07037	7.8
109.02876	1.2
109.06498	1.2
109.10137	1.2
115.05426	1.8
119.04952	1.4
122.03639	8.4
127.36778	1.3
131.04935	1.3
133.06525	2.7
137.05968	100.0
146.03606	4.0
161.05966	36.3
167.69583	1.0
177.05499	1.1
179.07140	1.1
187.07545	2.5
191.08545	3.4
199.07510	8.0
202.07774	10.6
202.51450	1.1
203.08546	20.1
219.08028	7.9
219.17119	1.5
220.08743	6.5
221.09593	1.7
221.92189	1.1
230.07210	2.2
231.08032	36.1
231.10320	2.0
232.08759	4.5
233.05836	1.9
235.10999	1.1
237.09079	1.8
245.09428	1.6
245.46788	1.2
247.07495	5.1
248.08319	17.0
249.09100	2.6
258.06674	3.3
259.07526	24.2
260.08282	12.4
261.09015	1.5
263.10645	16.0
265.08545	3.6
273.09235	1.5
275.07068	3.7
276.07809	14.0
277.08536	5.1
291.10135	70.2
292.10699	5.0
293.07968	5.4
295.09885	1.5
295.13126	1.5
307.09329	1.2
308.10382	4.8
323.12759	74.6
324.13153	3.1
339.10333	1.3
485.23581	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76832	0.4
71.04986	0.9
71.42245	0.6
79.35244	0.5
81.03403	1.5
81.07038	0.5
85.02901	9.7
91.05463	0.6
91.19337	0.4
94.04180	0.5
95.05006	0.6
95.08595	0.5
97.39913	0.5
99.04443	5.7
103.03936	17.4
103.05456	1.1
109.06561	0.7
109.69840	0.5
112.10038	0.4
121.06500	0.6
122.03671	1.1
127.03919	4.4
128.06129	0.4
129.06990	1.4
130.78769	0.4
131.04921	3.0
132.14166	0.5
133.06430	0.5
133.10110	0.6
137.05966	11.4
143.08476	0.5
149.05910	1.3
151.03827	0.5
151.07550	1.0
157.06357	0.8
161.05981	0.8
163.07523	0.8
171.08099	1.4
172.05180	0.9
174.06772	2.2
175.07520	1.4
185.05908	0.7
187.07516	9.5
187.09048	0.8
189.09064	3.3
191.08524	1.2
192.09296	1.0
199.07523	2.4
202.07715	4.0
203.08533	11.7
204.09134	1.0
205.06519	1.9
205.10207	0.6
211.07472	0.6
215.08598	1.1
217.08542	5.2
217.10263	0.7
218.07199	0.6
219.07982	5.0
220.08826	5.3
225.09052	1.3
227.06914	0.6
230.07330	0.8
231.08026	14.1
232.08789	5.1
233.05992	2.1
233.09483	0.8
234.06801	1.0
235.07506	1.0
237.09081	1.3
245.09648	1.6
247.07472	4.0
248.08308	18.5
249.08989	3.4
250.06224	1.2
251.10641	1.0
255.06442	1.2
258.06909	0.6
259.07471	5.3
260.08310	4.1
261.05487	0.8
261.09079	2.2
262.06384	0.9
262.09875	1.0
263.10635	17.1
263.13425	1.0
264.07825	0.8
265.08524	5.2
270.08826	1.1
271.09579	2.0
273.09103	0.8
274.09555	0.5
275.07013	0.7
276.07791	10.5
277.08588	7.1
278.05652	1.7
278.08783	0.5
279.10086	3.1
280.10968	2.2
281.08276	0.6
289.05325	3.1
290.09418	1.8
291.10126	43.3
291.37048	0.5
292.10757	5.4
293.08032	12.2
294.08658	0.7
296.10428	0.9
305.11795	1.7
307.09714	1.8
308.10400	7.2
309.10974	0.5
311.12756	3.6
320.10355	0.5
323.12747	100.0
324.13037	3.8
341.13818	3.5
425.94705	0.5
485.19824	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	485.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36964	0.5
64.11807	0.4
78.36971	0.5
79.05495	0.6
81.03393	1.5
81.07022	0.5
85.02899	7.8
91.05479	0.7
94.04178	1.4
99.04440	4.7
103.03935	14.5
105.07037	1.5
109.02941	0.5
109.06503	1.0
115.05454	0.7
122.03638	3.0
127.03899	3.8
128.06204	1.3
129.07005	0.5
131.04968	0.9
133.06483	1.1
137.05969	50.2
141.07031	0.7
144.05688	0.5
149.05989	2.5
151.07518	0.6
157.06464	1.2
161.05969	10.5
163.07455	0.6
165.06998	0.5
171.08076	1.2
174.06761	1.6
175.07500	1.8
177.05472	0.5
184.05202	0.8
187.07533	8.7
189.07022	0.9
189.09093	3.3
191.08543	1.9
192.09297	0.7
199.07520	5.8
202.07727	4.8
203.08542	12.3
204.09100	1.0
205.06508	1.8
206.07108	0.6
217.08572	4.3
219.08023	4.8
220.08853	4.3
221.09647	0.9
225.09090	0.6
229.56964	0.6
230.07208	1.2
231.08011	16.5
232.08752	4.8
233.05949	0.8
233.09547	0.9
234.06604	0.8
235.11084	1.0
237.09036	1.5
245.09615	1.3
247.07607	3.9
248.08310	17.3
249.08917	2.2
250.06161	0.7
251.10645	0.9
253.97984	0.7
255.06461	1.1
258.06747	0.8
259.07550	10.0
260.08310	5.7
261.08990	1.8
262.06302	0.6
262.09860	1.4
263.10654	18.6
265.08572	4.0
270.08698	1.0
271.09644	1.6
273.08994	1.0
274.10031	0.6
275.07129	1.2
275.10529	0.8
276.07809	13.4
277.08569	6.7
278.05804	1.2
279.10223	3.3
280.10852	1.4
281.08084	0.6
283.09830	0.6
290.09283	1.0
291.10138	52.2
292.10779	6.6
293.08054	9.6
293.11124	0.9
293.97476	0.5
294.08612	0.7
295.09738	1.2
296.10379	1.2
305.11823	1.2
307.09802	1.5
308.10361	7.3
311.12793	3.1
323.12753	100.0
324.13089	4.6
341.13687	3.9
359.55304	0.5
389.92142	0.5
485.19067	0.5
499.45352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70613	1.6
69.21252	9.0
78.26120	1.7
81.03410	2.6
83.04968	4.2
85.02877	3.1
91.05452	2.0
99.04452	15.6
103.03938	5.2
103.69231	1.6
109.02871	7.5
110.03156	1.6
115.95707	1.8
127.03890	17.1
137.02332	5.2
137.05980	5.1
149.05965	5.1
151.03845	2.2
161.05992	2.8
171.08026	2.0
177.05496	8.0
178.07838	2.2
181.06404	1.8
202.07715	4.2
203.08513	6.2
204.09396	2.2
205.06427	3.2
219.08054	4.4
220.08810	5.4
221.06020	1.8
221.09700	1.9
222.06729	4.5
224.08241	2.0
231.07997	4.5
233.09607	3.1
235.07607	12.0
235.11165	11.1
237.09058	4.7
239.07056	3.0
245.09752	2.4
247.07430	1.8
248.08278	8.6
249.09003	3.9
250.06346	4.3
251.07018	5.0
252.07837	5.6
253.08575	1.6
259.07886	1.6
261.09000	2.2
262.09665	1.8
263.07047	14.2
263.10635	17.6
264.07718	2.3
264.11377	2.1
265.08578	10.9
266.09045	2.6
267.06500	5.0
267.09976	2.9
276.07928	3.0
277.08578	3.8
279.06671	3.7
279.10037	3.3
280.07294	11.6
280.10840	7.6
282.08859	7.7
290.09265	3.5
291.10104	20.5
293.08011	6.2
293.11337	3.4
294.08725	3.5
295.09610	35.9
295.13251	15.9
296.10031	3.1
305.11639	4.1
308.10458	14.4
309.11224	15.9
323.12753	100.0
324.13028	2.6
341.13803	73.9
342.14059	2.7
393.13370	2.1
467.16760	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.05507	3.8
57.07064	7.3
60.28511	3.7
61.02936	3.4
69.03432	11.8
69.07051	4.6
70.48459	6.3
78.98360	3.8
81.03416	10.6
81.07055	9.4
83.04989	3.9
83.08636	3.2
85.02895	25.6
85.13325	2.7
87.00825	10.8
89.42370	3.1
93.07027	7.9
95.04945	3.2
95.08606	6.5
97.02869	17.1
99.04453	4.9
105.01862	7.0
105.07037	9.0
109.02885	8.1
109.06507	3.5
109.10153	4.9
119.08604	6.6
121.10117	3.9
127.03902	16.6
131.08543	4.1
133.10156	4.0
145.04904	5.9
145.10110	5.3
159.02911	4.3
159.11667	3.0
161.09801	3.7
163.07568	13.5
175.11188	3.1
207.13841	15.7
215.14331	3.3
219.13786	100.0
235.14130	3.3
237.14861	30.8
330.45340	2.7
354.69571	3.1
411.16275	4.0
441.24188	4.5
485.23352	9.5
494.63965	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2894
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
50.60169	0.1
53.03954	0.1
55.05507	0.7
57.03429	0.2
57.07075	0.7
62.46631	0.1
65.03925	1.3
65.36036	0.1
67.05487	0.2
69.03419	0.4
69.07056	0.4
69.24824	0.3
69.25227	0.5
70.55190	0.1
71.08633	0.4
78.04700	0.4
79.05485	0.9
80.25629	0.1
81.03416	0.6
81.07037	0.5
83.04930	0.1
83.08623	0.1
85.02931	0.1
85.06535	0.4
87.04446	0.2
89.05999	0.2
91.05468	51.1
92.05807	0.6
93.07026	0.4
95.04933	0.2
95.08582	0.2
97.02894	0.1
97.06531	0.2
98.98455	0.1
103.05460	0.7
104.06231	4.0
105.07018	10.6
109.06531	0.2
111.08047	0.6
117.06990	0.5
119.08580	0.2
123.08033	0.4
127.07512	0.4
129.95659	0.1
131.08531	0.6
133.10110	100.0
134.10445	2.2
147.08043	2.8
147.09129	0.2
148.55386	0.1
149.09583	0.9
153.09106	0.5
155.01004	0.1
165.09119	0.3
169.08577	0.2
171.10107	0.4
189.11215	0.2
272.49295	0.1
282.98492	0.1
313.27277	0.6
408.92603	0.1
484.46912	0.2
485.47778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3261
Annotation	Ganolucidic acid E
Peak:m/z	Relative Intensity
53.03942	2.2
55.01849	1.8
55.05508	15.1
57.07063	3.6
65.03938	3.5
67.05498	19.9
67.94585	1.4
68.51621	1.2
69.03420	24.3
69.07063	11.3
70.06550	1.3
71.04974	3.1
77.03917	2.9
79.05490	25.6
81.03400	4.0
81.07051	34.1
83.04973	4.4
83.08614	8.0
85.02891	5.1
86.09689	1.7
87.00826	1.7
91.04940	2.8
91.05474	40.9
93.07037	45.9
94.07343	1.5
94.14289	1.3
95.04960	18.7
95.08601	48.1
95.09215	2.6
97.02877	1.9
97.06516	5.3
99.04453	9.5
99.08078	15.1
103.05422	1.3
105.07020	70.3
106.07327	1.4
107.04906	1.6
107.08584	57.6
108.08898	1.9
109.06508	8.3
109.10155	18.4
111.08084	2.4
115.05475	4.0
117.07013	19.0
119.08568	100.0
120.08913	3.2
121.06509	2.7
121.10137	38.1
123.08057	7.4
123.11693	4.6
127.03908	3.6
128.06204	8.1
129.06978	10.3
130.07756	3.3
131.08557	59.2
132.08907	1.5
133.06477	3.2
133.10121	51.0
134.10532	1.6
135.08067	4.9
135.11682	14.4
137.09579	2.3
141.06958	5.3
142.07745	7.5
143.08553	33.1
144.02122	2.6
144.09326	6.6
145.10110	66.9
146.10498	2.4
147.08057	4.2
147.11676	48.2
149.09604	8.7
149.13269	11.8
155.08539	9.3
156.09308	7.7
157.10115	35.7
158.10875	5.4
159.08090	3.9
159.11684	43.5
160.12196	1.8
161.09595	6.6
161.13239	26.9
163.03922	6.2
163.07559	2.6
163.11153	2.6
163.14810	6.9
165.12752	2.2
167.08585	2.7
169.10126	12.0
170.10902	6.9
171.11678	23.6
172.12492	2.6
173.09624	3.2
173.13252	36.5
175.11154	3.3
175.14812	29.3
177.12721	2.4
177.16440	2.6
179.08540	2.2
179.14281	2.1
181.05002	7.6
181.10114	3.0
182.10889	1.5
183.11688	13.9
184.12418	2.4
185.13237	38.1
186.13745	2.4
187.11201	3.2
187.14799	54.2
188.15155	2.0
189.12704	13.8
189.16302	9.3
191.14297	5.8
191.18018	2.0
193.10107	1.9
193.15906	2.0
195.11739	5.3
196.12517	1.9
197.13245	14.3
199.14803	32.6
201.12695	8.4
201.16360	46.4
202.16772	2.4
203.14314	34.8
203.16260	1.7
203.17984	3.8
205.15831	7.4
207.13748	2.0
209.13194	6.6
211.14792	10.2
213.12776	1.8
213.16350	16.1
214.16771	1.7
215.14378	7.7
215.17966	5.3
217.15833	16.2
219.07875	1.5
219.13785	8.2
219.17418	7.9
221.13390	2.7
221.15294	14.8
223.14879	4.6
225.16333	5.5
227.14334	2.3
227.17940	4.2
229.15741	6.3
231.17459	5.1
233.15263	10.0
235.14842	1.8
235.16942	4.2
237.16345	2.7
237.18506	2.1
238.17140	1.6
239.17915	4.5
241.19533	4.5
243.17230	2.0
245.15292	9.4
245.19153	2.0
247.16966	4.6
249.14626	7.0
251.18036	3.4
253.19569	2.8
255.21017	2.5
257.19131	1.7
259.17004	3.7
259.20578	1.6
265.19745	2.3
267.21085	3.0
277.19421	2.6
279.21194	2.0
281.19009	2.3
291.10086	2.0
293.22708	3.0
299.20001	3.2
309.22083	2.0
323.12570	1.6
331.24255	2.1
333.22397	2.0
337.24911	2.0
346.02682	1.3
347.27252	3.1
349.24985	1.8
351.23270	2.8
353.24457	1.3
365.28479	6.6
367.26343	2.8
385.28870	4.2
391.29926	4.3
393.27847	3.9
403.29889	15.2
404.30298	1.7
409.31064	3.9
411.28955	15.6
419.29272	3.0
421.30945	31.0
423.32425	4.0
431.29330	5.8
435.20850	1.5
437.30490	6.7
439.32135	9.2
449.30521	11.4
455.31744	1.9
467.31470	16.2
485.19766	13.4
485.32574	65.3
486.32941	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	486.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72235	0.2
53.03938	0.7
53.31900	0.2
55.01882	0.3
57.03428	0.4
63.02441	0.3
65.03597	0.3
65.03934	4.4
67.05495	1.8
69.03426	1.7
69.07069	0.3
70.93858	0.2
71.04970	0.3
73.02930	0.2
78.03442	0.6
79.05492	0.8
81.02962	0.3
81.03413	3.8
81.07053	0.6
82.04198	1.6
85.02901	4.5
85.03402	0.3
85.06520	0.3
89.03902	0.4
90.03427	0.4
91.05467	0.4
93.03410	1.3
93.07052	0.6
95.04962	1.6
95.08595	0.6
97.02883	0.6
97.06531	1.6
99.04455	0.7
101.02350	0.2
105.04528	0.2
105.07011	0.3
107.08585	0.3
108.02083	0.8
109.02899	1.5
109.06566	0.2
109.10182	0.4
110.03674	2.2
111.04427	0.9
117.03353	0.5
119.08581	0.4
120.01336	0.2
121.10123	0.4
123.00795	0.2
123.04414	0.9
123.08061	0.3
123.11681	0.3
125.05962	1.5
126.01068	3.8
126.05525	1.8
127.03901	0.7
131.04919	0.8
131.08577	0.4
133.10132	0.3
135.04424	0.7
137.06003	0.3
138.03079	1.2
139.03920	0.3
140.04677	3.8
142.02600	0.6
143.08548	0.4
144.02106	24.9
145.02846	1.4
145.10104	0.6
147.04390	0.4
149.05994	0.4
153.05438	2.9
155.07031	1.4
157.10135	0.5
159.02769	0.2
159.11665	0.4
163.03883	2.4
171.06523	5.0
177.05476	1.8
181.04942	100.0
182.05305	2.2
185.13303	1.4
195.68433	0.2
199.05981	2.4
203.14302	1.2
220.17772	0.2
259.96277	0.2
268.86102	0.2
297.11276	0.3
324.14059	0.4
325.09082	5.2
327.96133	0.2
340.10324	0.2
341.12054	0.3
343.10193	1.8
441.48801	0.2
486.19940	1.2
487.25232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
67.01855	2.3
69.03421	14.2
69.85347	3.1
70.55989	1.4
71.05003	4.2
74.68568	1.3
75.79423	1.5
80.13648	1.3
81.03414	32.9
83.41533	1.4
85.02901	13.7
97.02887	22.5
99.04456	7.1
109.02869	100.0
127.03902	35.4
139.03909	6.1
139.48947	1.4
169.04958	35.6
187.06000	28.4
205.07089	3.4
247.08105	9.4
256.72214	1.5
344.09955	1.4
436.76392	1.8
487.13257	1.8
509.04648	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71793	0.8
53.03941	7.6
55.01869	0.9
57.03433	2.3
59.76669	0.8
61.02904	1.5
67.01848	2.3
69.03419	19.0
69.11205	0.9
69.59685	3.0
70.06588	2.6
71.04974	3.1
73.02900	1.3
77.59954	0.9
78.78049	0.9
81.03410	36.0
81.07043	0.8
82.03730	1.0
83.04977	1.3
84.08128	3.8
85.02900	21.1
86.09692	1.8
97.02886	21.8
98.03213	1.1
98.23462	1.0
98.97578	1.0
99.04449	7.3
100.39275	0.8
103.03911	1.6
108.04469	1.5
109.02867	100.0
110.03220	3.1
111.04430	1.1
115.03948	1.0
125.02251	1.0
127.03905	46.7
128.04237	1.4
139.03912	3.8
145.04944	5.1
163.03909	1.3
169.04958	23.7
184.07228	0.9
187.06000	29.7
188.06628	1.0
194.67867	0.9
205.07057	9.4
210.11182	0.9
229.07068	2.6
247.08089	7.9
271.08228	0.9
313.09543	0.9
355.10098	1.1
486.29419	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	486.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
57.03427	1.1
61.02921	1.7
67.01858	3.3
69.03423	17.6
69.54975	3.3
70.06580	1.7
71.04987	3.1
73.02858	1.1
74.96520	1.0
81.03413	32.6
81.55005	0.8
85.02899	14.3
97.02885	27.5
99.04452	5.7
106.11909	0.8
109.02871	100.0
109.49837	0.8
110.03216	1.0
127.03907	40.2
135.04422	1.6
139.03906	5.9
140.01630	1.7
145.02840	2.1
145.04927	8.6
163.03896	10.4
169.04944	34.1
187.05998	22.9
191.08127	1.0
205.07069	1.9
210.65204	0.8
229.06944	2.0
229.98634	0.9
247.08102	8.9
307.08502	1.0
366.98563	0.9
486.16302	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	486.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03695	2.3
53.03940	31.9
55.01864	1.5
56.96557	1.0
57.03435	1.5
61.02917	6.4
67.01859	4.8
69.03422	22.8
69.41209	3.3
69.41614	2.1
70.06585	1.6
71.04982	6.3
73.02917	1.7
80.37492	0.9
81.03407	48.7
85.02895	16.7
87.04478	1.7
89.53207	1.1
97.02883	56.6
99.04437	15.9
101.19303	1.1
103.03951	2.6
109.02866	93.2
110.03208	1.6
115.03928	2.2
117.03394	1.8
118.38938	1.3
124.98833	1.0
127.03899	100.0
145.02951	1.0
145.04948	23.5
163.03920	2.1
169.04941	8.8
171.05263	1.2
177.05429	3.3
187.05989	76.9
205.07014	8.2
221.42078	1.1
229.07066	7.7
232.27730	1.3
234.99051	1.2
242.80099	1.2
247.08109	24.8
265.09256	1.4
291.33136	1.1
324.83618	1.1
486.21570	1.3
487.20587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	27.7
55.01866	2.3
56.96547	2.8
57.03420	3.0
59.24272	1.2
61.02910	5.6
61.78823	1.4
62.39414	1.4
67.01854	2.8
69.03424	30.8
69.70689	3.9
71.04974	5.3
73.02897	1.9
81.03409	51.0
85.02399	2.2
85.02897	28.3
90.96443	1.3
97.02882	31.6
98.97584	12.9
99.04445	15.4
103.03928	4.3
109.02868	91.9
110.03163	1.9
115.03945	1.9
116.98614	5.5
125.02421	1.6
127.03906	100.0
128.04236	1.7
139.03908	1.7
145.04985	8.4
158.99599	3.0
169.04968	17.7
175.29837	1.3
177.00735	3.0
186.42323	1.4
187.05997	80.0
205.07045	23.4
229.07024	7.6
235.06087	1.7
237.02739	3.0
241.07440	1.5
247.08102	24.0
265.11237	2.1
280.92044	1.5
283.12122	4.9
295.08200	2.1
307.12131	3.0
325.13300	2.8
355.10281	1.7
427.16379	5.0
433.13330	4.8
433.42163	1.6
445.17215	10.9
486.14966	6.5
487.17484	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49113	1.3
57.66011	1.2
64.75657	1.4
69.03422	2.5
69.08615	5.7
69.09029	3.7
81.03400	6.5
85.02901	4.1
92.54813	1.3
95.04960	6.4
97.02888	4.4
107.08575	4.7
109.02906	3.3
121.02865	100.0
121.10111	2.1
127.03901	2.9
139.03891	18.5
144.23169	1.3
145.04927	2.5
151.11162	4.9
161.07121	4.1
162.05495	1.8
162.07491	2.2
163.03856	1.7
175.28548	1.5
179.01685	1.3
189.77145	1.4
199.25749	1.4
265.07083	9.4
281.18747	1.3
283.08148	16.8
298.86777	1.3
334.89594	1.4
419.61633	1.3
444.91635	1.6
486.20648	7.7
487.21457	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.2
65.03928	4.2
67.05498	13.4
69.03445	4.7
69.06274	13.8
69.06693	15.1
71.04974	5.0
79.05469	15.8
81.07047	20.1
81.51917	4.2
83.04967	9.3
85.02885	5.1
89.01450	4.3
91.05473	44.6
93.07038	22.4
95.04956	25.6
95.08603	7.2
98.22776	9.9
99.04466	5.5
103.05450	7.0
103.48199	4.2
105.07014	66.9
107.04938	6.0
107.08582	14.2
109.06515	7.1
115.05457	11.3
116.06225	7.5
117.07013	81.9
119.08543	24.4
121.06509	10.6
121.10172	5.1
123.08022	3.9
128.06229	18.4
129.06998	51.1
130.07726	12.3
131.08545	52.9
133.06535	9.2
133.10068	27.6
135.08032	4.4
141.06989	7.7
142.07758	16.4
143.08548	40.1
145.06430	6.6
145.10109	88.6
147.08020	12.9
147.11626	7.4
149.09575	8.1
155.08527	18.5
156.09323	7.3
157.10129	32.8
158.07153	4.9
159.11676	14.4
161.09615	18.3
161.13179	7.0
163.11142	7.2
169.10045	7.3
171.07938	8.1
171.11665	17.2
173.09601	100.0
175.11191	15.5
185.13278	26.9
187.11172	10.0
189.12724	10.4
191.10657	21.3
195.11685	5.8
203.14301	23.8
203.17946	5.5
213.12663	25.2
231.13756	38.6
233.11623	12.2
249.14734	5.6
256.56491	4.0
461.88608	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	486.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	5.8
67.05482	12.2
69.07037	4.6
71.04975	5.6
79.05472	12.6
80.08728	3.8
80.15076	3.4
81.07043	15.6
81.47135	4.0
83.04985	5.2
85.06532	6.8
90.05352	4.3
91.05481	38.3
93.06509	3.8
93.07036	24.8
95.04956	63.4
95.08608	8.9
97.06535	9.4
98.22620	9.4
103.05468	5.1
105.07027	62.1
107.04939	6.2
107.08587	13.5
109.06506	9.3
115.05451	5.2
117.07021	24.0
119.08588	30.9
121.10114	4.2
123.08008	5.3
128.06209	15.5
129.06999	33.5
130.07774	9.8
131.08575	37.7
133.06512	23.4
133.10109	16.6
135.08014	6.5
137.09560	4.9
141.06949	5.5
142.07755	9.8
143.08551	28.7
145.06439	5.1
145.10109	59.4
147.08011	9.5
147.11700	6.0
149.09596	6.8
151.07597	9.9
155.08537	11.6
156.09312	6.5
157.10089	12.4
159.11693	8.2
161.09596	10.0
161.13249	8.8
163.11179	9.3
168.12680	3.9
171.11668	17.8
173.09598	41.4
175.11191	4.2
179.10484	4.4
185.13258	13.8
187.11189	6.1
189.12804	4.8
191.10526	20.8
195.11696	6.4
201.12769	6.4
203.14325	12.5
213.12697	11.8
218.09506	3.9
224.36374	4.5
226.50636	3.6
231.13817	22.8
249.14799	7.6
426.19537	14.5
486.21835	100.0
487.22076	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	486.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52843	3.7
55.05500	16.4
63.73348	4.1
65.65342	3.6
67.05503	13.2
69.03430	5.4
69.07063	7.1
79.05483	17.1
81.07050	34.6
83.04973	12.8
84.60216	4.0
85.06534	6.5
91.05450	22.6
93.07030	22.1
95.04967	39.9
95.08604	14.5
97.02859	4.0
97.06496	9.7
98.06918	4.2
101.05999	20.5
105.07025	100.0
105.07729	5.4
107.08630	25.7
109.06518	12.6
109.10119	23.2
117.03388	3.8
117.07019	12.6
119.07040	8.2
119.08575	45.0
121.06494	11.8
121.10129	14.7
123.07983	4.3
125.06010	7.9
128.06250	5.0
129.06973	8.7
131.08563	31.3
133.10123	22.7
135.08061	6.7
137.09621	8.8
142.07767	17.1
143.08549	9.5
145.10121	44.3
147.08028	5.6
147.11678	78.6
149.09578	5.4
155.08562	8.0
156.09346	5.4
157.10101	57.1
158.10818	5.5
159.11673	42.4
161.09616	42.8
161.13251	5.0
162.45267	4.3
163.03897	15.7
167.08534	4.1
171.11769	8.8
173.09570	4.8
173.13272	11.3
175.11177	48.4
177.16382	8.8
182.10889	7.1
187.14801	37.4
189.12709	33.1
193.12247	13.2
197.13258	17.2
197.14900	3.9
203.59306	3.7
205.15878	13.5
215.14278	65.5
233.15332	65.4
251.16483	5.7
263.78818	3.8
303.90848	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	486.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61813	11.5
54.37226	11.8
55.05515	28.5
63.72995	11.1
65.27728	11.3
69.03443	15.2
69.07086	14.7
69.22770	64.4
73.33237	11.7
79.65901	10.6
81.07041	40.4
85.02917	12.6
91.05465	30.0
93.07043	26.3
95.04961	21.1
95.08586	40.0
97.06561	13.7
105.07018	100.0
107.08587	39.2
109.10149	43.2
119.08584	53.1
120.90453	11.7
121.10116	29.6
130.32138	11.0
131.08580	18.3
133.10098	28.6
142.07799	18.5
145.10143	43.6
147.11673	54.5
157.10110	25.5
159.11664	37.4
161.09616	28.9
163.03928	20.2
173.13251	17.9
175.11176	44.7
187.14803	41.0
189.12675	24.4
215.14328	34.9
218.16499	11.5
233.15381	45.7
332.15186	11.8
402.46478	14.1
439.31927	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38768	3.2
53.03955	4.0
55.05507	29.0
55.66323	3.6
57.03422	8.0
57.07048	6.2
59.05003	4.8
59.44515	3.2
64.09999	3.9
64.29328	3.9
67.01653	3.2
67.05498	31.9
69.03470	4.2
69.07057	21.3
70.57268	8.8
73.06550	7.1
77.98083	3.3
79.05491	24.3
81.03409	6.6
81.07046	64.6
83.04974	33.7
83.08607	7.0
85.02898	14.0
85.06548	9.5
87.00818	3.6
90.03048	3.4
91.05476	49.0
93.07035	54.9
95.04967	6.5
95.08600	70.3
97.02909	6.0
101.06008	88.3
105.01875	9.6
105.07024	99.0
107.08574	65.4
109.02896	7.1
109.06533	5.0
109.10143	44.1
111.08046	4.7
117.07021	23.2
119.07090	31.2
119.08561	80.1
121.10128	58.8
123.07937	4.1
123.11720	12.1
125.09646	6.4
127.03895	7.2
129.07059	4.2
130.07788	8.3
131.08563	37.4
133.10115	51.7
135.11676	36.9
144.09294	4.9
145.04906	4.6
145.10117	100.0
147.11682	51.3
149.09616	6.9
149.13275	6.3
157.10191	6.1
159.11685	47.8
161.13246	29.6
163.11230	19.4
171.11763	3.8
173.13226	9.2
175.14813	11.2
177.12743	6.2
186.14090	6.1
189.16328	27.2
191.17967	12.3
193.15764	3.7
201.11185	10.5
201.16362	98.1
201.18129	7.2
203.17917	53.4
219.17438	75.1
231.05054	4.9
233.15350	7.1
276.44150	4.2
351.07999	4.4
486.34192	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	486.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44668	5.7
55.05503	47.3
57.03443	7.0
58.32418	6.5
59.04976	8.1
65.13980	5.6
67.05505	24.3
67.57552	5.7
69.07069	33.0
69.92501	17.3
71.04971	13.5
73.06554	7.9
79.05475	26.5
81.07050	61.1
83.04977	81.7
83.08627	12.9
85.06546	13.0
91.05479	17.9
93.07041	55.9
95.05000	8.4
95.08595	72.9
95.09137	7.8
97.06523	6.6
99.04433	7.7
99.08060	6.7
101.06010	100.0
105.07015	70.0
107.08569	55.6
109.06479	8.1
109.10153	42.4
111.08112	7.9
117.07071	11.1
119.07072	15.2
119.08559	60.4
121.10137	57.1
123.11699	25.8
130.36766	5.4
131.08571	18.3
133.10130	32.0
135.11700	47.4
138.17747	5.3
139.11156	8.7
145.10072	33.6
147.11693	16.0
149.13216	14.2
159.11687	48.3
161.13222	60.1
163.11157	19.2
163.14812	5.5
173.13388	5.9
175.14850	16.4
177.12808	7.5
181.12251	8.7
183.10193	8.7
187.60368	5.2
191.17958	19.8
201.11195	24.5
201.16347	47.0
211.78152	5.2
219.17404	49.6
237.18430	52.7
294.06610	5.0
337.23898	8.5
432.81866	6.7
444.02176	7.6
482.24478	6.3
487.26904	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	486.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.3
69.09607	5.4
69.10008	4.0
80.96924	1.3
83.11979	1.2
85.02900	4.1
91.03991	2.4
94.96767	1.2
97.02885	2.0
101.34354	1.6
104.99258	29.4
105.80211	1.7
110.51257	1.5
120.96661	6.8
127.03914	1.5
163.06097	2.0
190.01471	1.6
219.01985	1.3
222.36789	1.4
223.03325	1.6
247.00291	7.4
255.01828	2.3
262.97800	100.0
263.97961	3.9
295.05298	1.6
301.01086	2.8
316.05612	2.7
322.99054	3.3
325.00369	1.6
325.05991	2.4
341.00015	2.1
344.98416	7.0
404.99081	18.7
445.05408	2.1
462.96994	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	19.6
55.05503	14.7
56.96566	22.4
59.78468	15.4
67.05499	31.1
69.03426	21.8
81.03407	25.8
81.07043	59.1
85.02895	48.1
91.05471	27.2
93.07054	64.0
95.08597	48.7
97.02837	21.5
98.97569	49.4
105.07011	60.0
107.08565	46.6
108.03495	14.2
109.02850	26.1
109.10143	45.8
110.97543	13.0
111.08081	14.1
116.98573	27.0
119.08568	50.8
121.10101	24.4
123.11720	16.8
127.03902	37.1
128.98605	22.0
131.08571	16.2
133.10097	27.4
135.04323	18.7
135.11673	19.9
136.96689	13.7
143.91869	14.3
145.02863	17.7
147.11681	40.2
163.03865	96.1
173.13107	13.0
175.14876	13.0
177.16371	13.4
201.16460	16.1
203.17955	23.1
205.15796	16.1
237.02716	42.1
289.05280	32.3
297.88101	12.9
317.06699	15.0
325.11591	16.9
401.08997	100.0
419.09583	21.4
423.32764	15.8
443.10834	24.7
486.25964	20.5
487.10156	89.9
487.25519	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	487.121
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80781	5.0
69.29826	10.1
69.30212	10.5
82.74041	4.7
85.02882	6.9
91.03969	6.3
96.31326	5.0
109.02872	10.7
118.97231	4.3
163.03902	13.5
163.06009	6.2
177.05414	4.5
205.26024	4.6
221.49391	4.5
231.34857	4.7
307.69135	4.5
325.09036	5.4
414.04221	4.5
487.11920	100.0
487.18268	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34534	0.6
61.02901	0.8
72.08207	0.9
81.03427	0.8
85.02898	2.6
86.09701	0.8
91.03934	0.8
91.05554	0.9
109.02868	1.1
121.02859	5.3
145.04985	0.8
163.06050	1.0
205.04648	4.4
263.05267	1.4
269.51495	0.8
305.06262	6.9
323.07330	8.1
335.09387	5.7
375.74213	0.8
470.37476	0.8
487.12000	100.0
487.21231	20.9
488.12366	5.8
488.22025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1212
Annotation	Tetracenomycin X
Peak:m/z	Relative Intensity
56.96544	4.8
57.03413	3.0
58.00644	2.8
59.10889	2.3
61.02922	13.7
70.29886	5.7
73.02889	6.7
82.64465	2.7
85.02895	27.0
91.03942	16.4
97.02859	9.2
98.17815	2.8
98.97562	8.6
100.84627	2.7
109.02841	4.0
109.78299	3.3
116.98607	4.6
127.03911	7.0
134.32742	2.3
145.04924	15.3
149.01102	3.8
158.99643	3.3
161.01228	4.6
163.05963	14.9
170.32118	3.2
181.06973	2.7
201.00557	3.5
206.59795	2.9
219.01625	5.6
237.02864	3.5
277.88217	2.6
487.11935	100.0
488.12106	4.7
499.90417	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	487.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25813	0.3
61.02937	1.2
69.74963	0.9
71.62681	0.4
72.38490	0.4
85.02879	2.3
86.09709	0.4
91.03938	1.0
94.92322	0.4
97.02906	1.1
127.03864	0.6
135.04355	0.5
145.04997	0.7
154.45137	0.5
163.03889	0.9
163.06062	0.8
261.08612	0.5
339.35129	0.4
405.75583	0.4
487.14285	100.0
487.21381	8.9
488.14691	4.6
488.21487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98286	0.6
61.02913	2.0
69.03430	1.2
69.44993	3.1
70.06583	0.9
73.02912	0.7
85.02901	4.9
89.49740	0.6
91.03954	2.4
96.04508	2.8
96.09089	0.7
97.02908	1.6
98.00671	0.8
112.02189	5.4
127.03912	0.9
140.01646	12.7
142.91351	0.7
145.04948	1.8
163.03943	2.2
163.06056	3.0
167.27327	0.8
168.01170	2.3
169.04330	1.3
197.03795	1.4
198.00551	0.7
215.04857	2.0
243.04279	6.5
384.06876	1.4
481.27457	0.9
486.27014	4.3
487.14197	100.0
487.27368	7.9
488.14798	4.2
488.36633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.2
61.02932	14.1
63.89582	5.2
69.03418	19.9
70.06553	5.0
71.05022	5.5
76.63143	4.6
81.03398	20.3
85.02888	23.5
90.07196	4.8
91.03941	9.3
97.02876	10.4
99.04458	9.9
101.10283	5.4
127.03905	10.6
131.04987	8.9
145.04921	5.3
163.03893	9.2
163.06046	13.3
173.07024	7.8
175.08675	8.6
179.91920	4.7
191.08139	98.0
240.25615	4.7
278.71509	5.6
307.12842	23.6
325.10364	6.6
325.13925	100.0
487.15292	5.4
487.21332	23.3
502.37643	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2149
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
50.54388	0.7
51.78746	0.6
61.02925	1.1
67.15157	0.5
70.18222	0.9
70.18524	0.7
73.02887	0.6
85.02912	3.2
86.09708	0.7
88.61044	0.6
91.03960	2.1
97.02875	1.3
101.65445	0.7
129.73100	0.6
135.04401	0.8
145.04897	1.4
163.03882	3.0
163.06006	1.4
216.67151	0.6
244.66685	0.6
312.45438	0.6
365.05774	0.7
487.21411	100.0
488.21896	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95173	0.3
51.26188	0.3
56.94693	0.3
58.59386	0.3
60.82502	0.2
69.47974	0.2
69.93559	0.5
69.93922	0.6
73.02940	0.3
85.02908	0.7
91.03928	0.4
93.07059	0.5
97.02898	0.3
116.03316	0.3
118.65277	0.3
118.86436	0.3
119.01915	0.3
125.18493	0.2
143.01910	0.3
155.01884	0.4
161.02910	0.3
163.03989	0.3
163.05936	0.3
185.02887	0.3
190.62193	0.3
237.77612	0.3
247.63673	0.3
322.66385	0.3
335.09598	0.3
487.21469	100.0
488.21747	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2149
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
54.55778	0.3
57.03429	0.5
59.24485	0.3
61.02929	0.5
62.72176	0.3
69.03413	0.5
70.06580	0.5
72.93145	0.3
77.76825	0.3
81.03410	0.9
84.46597	0.3
85.02898	1.1
88.98379	0.3
96.61006	0.4
97.02892	0.6
99.04459	0.4
105.07056	0.3
105.17023	0.4
109.02902	0.6
111.04448	0.3
127.03912	1.4
131.84528	0.3
133.06529	0.4
137.02324	1.1
137.05992	1.3
138.02667	0.4
145.04950	0.4
165.09122	0.3
174.45348	0.4
242.75070	0.3
275.07346	0.5
294.63022	0.4
335.09650	1.1
355.17227	0.7
461.19342	0.4
487.21481	100.0
488.21814	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	487.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.9
55.01854	7.9
55.05504	24.6
56.96570	6.2
57.03428	4.0
57.07069	8.2
59.04987	4.2
61.02889	4.4
67.05505	19.4
69.03421	37.3
69.07059	46.8
69.29928	7.5
69.30321	10.8
71.04982	11.4
73.02901	5.0
79.05485	13.2
81.03426	28.7
81.07045	36.5
81.89822	3.3
83.04963	5.2
83.08612	11.8
85.02892	45.1
85.25983	3.5
87.00816	13.9
87.04481	4.7
87.41467	4.5
89.03912	9.7
91.05479	12.3
93.07038	36.9
95.04945	7.2
95.08591	28.9
97.02884	16.5
97.06524	13.0
97.10126	5.6
98.23516	3.5
98.97590	11.1
99.04420	7.0
99.08109	3.6
105.01863	13.5
105.07027	19.1
107.04931	6.7
107.08601	39.8
109.02865	19.5
109.06521	7.8
109.10164	33.9
111.04393	4.0
111.08067	7.7
115.03943	5.0
116.98607	7.9
117.03378	14.4
117.07019	4.0
119.08571	20.9
121.02811	5.9
121.06461	4.6
121.10153	17.5
123.08066	12.7
123.11716	15.5
125.13255	21.9
127.03920	30.7
130.74130	3.5
130.75940	3.8
131.08537	6.2
133.10045	17.8
134.99759	4.3
135.04402	35.1
135.08064	3.5
135.11673	38.2
137.05998	10.6
137.09630	3.5
137.13266	4.4
138.06300	4.2
143.08519	5.0
145.02870	20.1
145.04999	9.0
145.10135	9.0
147.11644	13.1
149.02348	18.7
149.13234	14.0
151.11134	3.8
153.12726	26.7
157.10161	6.1
159.02930	11.4
161.13257	7.6
163.03882	80.9
163.14787	4.8
164.04175	4.5
167.00179	7.7
171.11716	7.5
173.13217	6.5
177.01863	4.4
177.05418	5.0
185.01106	4.1
187.11169	4.4
194.99669	17.3
200.98653	3.9
201.16405	6.4
203.17926	16.1
205.19505	5.9
209.01337	4.4
209.04483	8.1
213.00740	38.4
218.99626	19.8
221.18962	60.0
222.99228	4.6
223.99963	9.0
231.01730	7.4
233.19063	4.2
234.30815	3.7
237.00687	100.0
239.19936	5.8
239.52670	3.5
241.00099	23.0
255.01680	42.3
259.01315	5.9
283.01242	13.0
301.02219	4.2
323.04767	4.7
325.02274	19.6
326.71069	4.5
330.78442	3.7
339.01862	26.5
343.03354	4.1
346.74707	3.8
357.02832	42.3
380.04324	4.9
427.03217	3.7
487.19064	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	487.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.9
55.01854	7.9
55.05504	24.6
56.96570	6.2
57.03428	4.0
57.07069	8.2
59.04987	4.2
61.02889	4.4
67.05505	19.4
69.03421	37.3
69.07059	46.8
69.29928	7.5
69.30321	10.8
71.04982	11.4
73.02901	5.0
79.05485	13.2
81.03426	28.7
81.07045	36.5
81.89822	3.3
83.04963	5.2
83.08612	11.8
85.02892	45.1
85.25983	3.5
87.00816	13.9
87.04481	4.7
87.41467	4.5
89.03912	9.7
91.05479	12.3
93.07038	36.9
95.04945	7.2
95.08591	28.9
97.02884	16.5
97.06524	13.0
97.10126	5.6
98.23516	3.5
98.97590	11.1
99.04420	7.0
99.08109	3.6
105.01863	13.5
105.07027	19.1
107.04931	6.7
107.08601	39.8
109.02865	19.5
109.06521	7.8
109.10164	33.9
111.04393	4.0
111.08067	7.7
115.03943	5.0
116.98607	7.9
117.03378	14.4
117.07019	4.0
119.08571	20.9
121.02811	5.9
121.06461	4.6
121.10153	17.5
123.08066	12.7
123.11716	15.5
125.13255	21.9
127.03920	30.7
130.74130	3.5
130.75940	3.8
131.08537	6.2
133.10045	17.8
134.99759	4.3
135.04402	35.1
135.08064	3.5
135.11673	38.2
137.05998	10.6
137.09630	3.5
137.13266	4.4
138.06300	4.2
143.08519	5.0
145.02870	20.1
145.04999	9.0
145.10135	9.0
147.11644	13.1
149.02348	18.7
149.13234	14.0
151.11134	3.8
153.12726	26.7
157.10161	6.1
159.02930	11.4
161.13257	7.6
163.03882	80.9
163.14787	4.8
164.04175	4.5
167.00179	7.7
171.11716	7.5
173.13217	6.5
177.01863	4.4
177.05418	5.0
185.01106	4.1
187.11169	4.4
194.99669	17.3
200.98653	3.9
201.16405	6.4
203.17926	16.1
205.19505	5.9
209.01337	4.4
209.04483	8.1
213.00740	38.4
218.99626	19.8
221.18962	60.0
222.99228	4.6
223.99963	9.0
231.01730	7.4
233.19063	4.2
234.30815	3.7
237.00687	100.0
239.19936	5.8
239.52670	3.5
241.00099	23.0
255.01680	42.3
259.01315	5.9
283.01242	13.0
301.02219	4.2
323.04767	4.7
325.02274	19.6
326.71069	4.5
330.78442	3.7
339.01862	26.5
343.03354	4.1
346.74707	3.8
357.02832	42.3
380.04324	4.9
427.03217	3.7
487.19064	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	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	1.2
51.02372	1.3
52.14671	0.8
53.03942	5.7
55.01871	4.3
55.05509	25.7
55.38822	0.7
57.03420	2.4
57.07067	1.1
59.04985	0.7
65.03938	4.5
65.20929	0.8
67.05502	68.2
69.03429	1.7
69.07061	13.9
69.70634	1.6
69.70982	2.1
70.60877	0.7
71.04996	3.0
73.06546	3.3
77.03924	2.4
79.05488	100.0
80.05817	1.2
81.03414	13.6
81.07053	56.6
83.04980	16.1
83.08607	7.7
85.06535	2.6
91.05476	76.6
92.05824	1.3
93.07042	75.2
94.07370	1.7
95.04963	35.9
95.08601	35.4
95.95295	0.7
97.02906	1.5
97.06521	6.5
97.10145	4.6
98.22686	0.8
99.08053	1.2
101.06001	1.2
103.05486	2.1
105.04521	5.5
105.07021	56.7
106.07349	1.2
107.04954	8.8
107.08588	23.5
109.06516	9.6
109.10153	6.1
111.08093	2.4
115.05463	2.1
117.07015	11.7
119.08572	35.2
119.09426	1.8
121.06470	4.5
121.10140	7.2
123.08070	9.7
125.09625	0.8
127.07565	2.2
128.06204	3.7
129.07001	21.7
130.07870	1.4
131.08569	5.8
133.06560	1.0
133.10129	13.0
135.08084	1.6
135.11688	2.8
137.09636	1.0
141.06952	0.8
141.09068	0.9
143.08556	12.1
145.10120	12.8
147.08092	3.9
147.11676	45.4
148.11964	1.1
155.92749	0.8
156.09286	1.5
159.11674	1.8
161.09636	4.6
161.13246	19.9
163.11186	2.2
169.10217	1.4
171.11674	37.6
172.12033	1.7
179.14273	3.9
189.12727	16.0
207.13797	44.1
208.14017	1.5
225.14815	6.9
225.16316	0.7
247.11252	0.9
263.16412	1.5
270.75082	0.9
281.17499	3.5
289.53714	0.8
327.82675	0.8
377.24655	1.4
469.29288	1.2
487.30524	47.8
488.30841	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	487.3417
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03945	4.6
55.05503	12.6
61.05481	5.4
67.05504	26.9
69.07050	9.1
69.23212	23.1
69.23489	4.9
79.05492	25.6
81.03367	4.5
81.07053	42.4
83.04968	12.4
83.08607	4.3
91.05479	31.7
93.07027	41.9
95.04990	7.5
95.08606	52.2
98.22713	10.3
99.08083	16.5
105.07030	85.3
107.08579	64.9
109.10166	26.6
117.07012	14.3
119.08561	100.0
121.10143	47.0
123.08060	7.2
123.11690	19.7
125.09610	4.5
128.06165	4.6
129.06996	6.9
130.07854	4.9
131.08554	60.9
133.06522	5.3
133.09157	7.4
133.10112	65.6
135.11678	19.3
143.08528	15.9
145.10117	84.6
147.11685	72.6
149.13228	15.8
155.08496	4.9
156.09431	4.7
157.10094	23.9
158.10825	5.9
159.11688	54.4
161.09625	5.8
161.13234	25.5
163.03897	6.1
163.14877	12.3
169.10014	4.9
171.11697	15.6
173.13239	45.6
175.14824	53.4
177.12723	5.5
177.16389	34.8
183.11678	7.1
185.13226	20.6
187.14818	91.7
187.16336	9.5
188.15274	4.8
189.16380	23.8
191.14313	14.4
195.11766	6.5
197.13260	7.3
199.14824	27.6
201.12769	6.2
201.16360	66.0
203.14374	29.6
203.17940	19.2
205.15868	76.2
211.14763	7.6
213.16386	12.6
215.14310	6.7
217.15855	6.6
219.17442	10.1
221.15364	12.5
229.15883	8.0
239.18192	4.6
286.47403	4.9
330.03156	4.9
339.87250	5.4
387.30402	6.8
393.31696	7.1
405.31570	33.1
411.32703	5.2
423.27631	4.4
423.32370	27.0
439.32321	6.1
441.33365	9.2
451.31973	17.6
458.73932	5.9
469.33078	24.4
484.51346	5.3
487.24301	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	487.3419
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
52.81350	11.0
55.05500	16.8
57.07048	10.0
67.05483	17.3
69.07046	24.9
69.30298	58.8
79.05496	25.7
81.07055	71.5
83.04996	22.9
91.05457	40.5
93.07056	60.8
95.08615	75.4
105.07025	84.6
107.08592	72.3
109.06461	10.9
109.10162	31.9
117.07018	15.1
119.08571	88.4
121.10149	63.0
129.07034	11.5
131.08560	52.3
133.10110	55.3
135.11694	26.6
137.13240	16.4
143.08545	23.0
145.10152	57.6
147.11697	35.6
149.09677	10.6
149.13220	17.2
157.10080	24.9
159.11705	41.2
161.13231	65.3
163.14819	43.3
163.34605	10.5
171.11626	30.7
173.13251	29.9
175.14864	29.3
179.14417	13.6
183.11670	17.3
185.13249	21.4
187.14832	47.1
189.16356	29.3
199.14803	22.8
201.16394	24.9
211.14807	17.1
213.16370	14.4
215.18065	11.9
225.16315	15.2
227.17831	20.3
241.19368	28.4
242.19246	10.1
253.19640	11.0
255.17278	15.0
257.19028	10.5
269.22617	12.0
375.30511	16.0
387.30438	11.2
405.31339	47.2
421.31128	25.9
423.32458	44.2
433.30966	41.2
441.33557	15.7
451.32059	100.0
469.33066	46.7
487.26624	29.5
487.34055	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03934	0.5
55.01852	0.4
57.03423	0.3
57.07071	4.9
61.02893	0.4
63.70159	0.2
65.03916	1.1
67.28892	0.2
69.03436	1.6
71.04977	0.2
73.02910	0.6
80.20261	0.2
81.03403	1.5
81.34869	0.2
85.02895	3.3
87.00824	1.6
93.03356	0.3
97.02880	2.0
99.04446	0.6
105.01868	1.3
105.07057	0.2
108.04474	0.3
108.08089	0.2
109.02879	1.3
111.04440	0.3
117.01844	0.3
119.08552	0.2
121.02854	2.2
121.03966	0.6
127.03904	2.1
129.01761	0.2
145.04932	1.1
149.02327	100.0
150.02672	2.4
154.54855	0.2
159.02859	0.8
167.03387	6.9
180.47180	0.2
190.04942	0.2
203.86023	0.2
205.08601	1.4
223.09636	14.9
224.09924	0.5
231.04953	0.4
237.10178	0.3
407.16388	0.2
471.89374	0.2
488.17599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01861	0.6
57.03442	0.5
57.07062	1.6
61.95069	0.3
63.70766	0.3
65.03947	1.3
69.03415	1.6
70.65863	0.6
81.03413	1.5
85.02905	3.1
87.00827	1.5
93.03368	0.5
95.05018	0.3
97.02911	1.9
97.03427	0.4
98.34344	0.4
99.04430	0.6
103.05424	0.4
105.01851	0.5
105.07028	13.8
109.02909	1.2
121.02869	2.4
121.04003	0.4
127.03911	1.5
145.04971	1.0
149.02332	100.0
150.02664	2.0
159.02910	0.8
167.03435	0.9
205.08633	3.1
211.62686	0.4
223.09631	10.7
223.13211	1.1
250.01471	0.3
329.68753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
53.03932	0.9
54.18513	0.1
55.01861	0.9
55.05513	1.1
57.03434	0.8
61.02916	0.5
67.05498	0.3
68.99792	0.4
69.03428	2.3
71.04992	0.3
73.02906	0.5
73.06535	0.9
77.03925	0.5
79.05482	2.6
81.03410	2.1
81.07063	0.3
82.78951	0.1
83.04977	0.4
85.02899	6.6
87.00825	3.0
89.03886	0.2
91.03964	0.2
91.05453	0.3
93.07045	0.2
95.04950	0.9
95.08617	0.2
97.02879	3.0
99.04436	1.2
101.06016	2.4
103.05463	1.6
105.01872	2.0
105.07021	100.0
105.33134	0.2
106.07358	1.8
107.08524	0.2
109.02863	2.3
109.10146	0.2
117.01809	0.2
117.03378	0.5
119.07021	0.2
119.08601	0.2
127.03903	3.3
129.01834	0.3
133.10153	0.2
141.58533	0.2
145.02840	1.4
145.04916	1.3
145.10089	0.2
146.09650	0.5
147.11731	0.2
149.02332	2.9
149.05983	0.2
159.02826	1.1
159.11639	0.2
177.05473	2.6
187.11166	0.5
187.14832	0.3
205.08485	0.2
205.12215	4.3
213.03993	0.2
223.09705	0.4
223.13272	14.5
224.13617	0.4
231.04985	0.6
337.11813	0.3
442.33710	0.2
488.17502	0.2
489.20856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.05504	6.1
59.05000	8.8
65.03964	3.6
67.05502	13.7
68.85394	3.4
69.03429	7.1
69.81948	8.2
69.82337	5.2
70.06584	13.6
71.04961	4.5
71.43745	3.2
74.36793	3.0
79.05514	16.6
81.03419	3.7
81.07044	23.4
83.04994	5.0
85.02917	4.0
85.06538	15.8
91.05485	51.3
93.07043	27.2
95.04971	37.7
95.08604	14.7
97.06564	7.5
103.05447	3.8
105.07027	70.3
107.04948	9.0
107.08588	17.9
109.06540	10.7
115.05465	6.2
116.06248	3.9
117.07028	48.1
119.04939	4.8
119.08568	32.4
121.06507	13.3
121.10163	7.4
128.06221	17.5
129.07001	26.3
130.07770	14.2
130.35179	3.9
131.04881	4.5
131.08582	39.4
133.06496	16.0
133.10139	27.1
135.07079	3.9
135.08090	10.9
137.05960	12.1
141.06949	4.3
142.07784	11.3
143.08578	50.0
144.09348	5.0
145.06496	9.6
145.10120	100.0
147.04388	8.4
147.07980	19.0
147.11633	5.5
149.09637	11.3
151.07558	4.0
153.07033	5.7
155.08524	19.4
156.09346	7.8
157.10103	36.2
159.08104	6.1
159.11700	14.6
161.09604	25.8
161.13257	4.8
163.03905	12.1
163.07562	4.0
163.11191	16.0
165.06992	5.1
169.10014	4.8
170.10915	4.5
171.08031	6.0
171.11717	10.1
173.09613	79.2
175.07478	5.1
175.11191	14.4
175.14822	10.1
177.05585	4.7
177.12631	4.3
183.11771	4.4
185.13228	32.8
187.11195	9.8
189.09091	4.8
189.12740	9.6
191.10649	35.0
195.11737	9.8
198.10381	4.5
201.12910	4.8
203.14330	36.9
213.12761	26.9
222.87730	3.7
231.13785	58.9
249.14735	8.9
290.08041	3.4
295.06326	3.9
301.11707	4.9
308.05099	3.4
316.64175	3.4
353.16046	6.1
432.50165	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	488.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01856	2.2
55.05502	1.3
57.03427	2.9
57.06783	1.2
57.07069	20.9
61.02900	2.0
65.94350	0.6
68.99792	1.6
69.03065	1.0
69.03422	13.6
71.04984	1.6
73.02915	0.9
77.65223	0.6
79.05481	0.7
81.03411	4.7
81.07047	0.9
85.02895	29.8
85.03415	1.4
87.00342	1.1
87.00824	11.3
91.05471	1.0
93.07040	1.1
95.04932	0.9
95.08589	1.5
97.02889	7.7
98.23420	1.7
99.04455	3.3
103.03936	1.2
105.01867	13.5
105.07018	1.0
107.04943	5.3
107.08562	0.8
109.02883	5.6
113.67219	0.6
117.03307	0.8
119.04925	0.9
119.08541	1.4
121.06506	1.9
127.03027	1.1
127.03902	14.2
129.01837	1.1
131.04889	1.8
133.06444	1.1
133.10194	1.0
138.06357	0.7
145.04933	4.2
145.06393	0.9
145.10039	1.2
147.02858	1.5
147.08031	2.4
149.09627	6.3
159.02866	1.9
161.05969	1.4
161.09569	0.8
163.03891	5.7
163.11168	14.0
173.09631	4.5
175.11095	0.7
177.05434	0.9
177.12790	1.4
187.14833	0.7
189.03931	3.5
191.10634	3.3
205.15855	100.0
206.16211	3.2
215.10616	2.2
229.15782	3.5
231.04959	4.5
233.11682	1.5
233.15228	0.8
247.16930	5.2
249.05931	2.3
257.11676	4.3
271.16937	2.1
275.12756	1.5
279.90759	0.7
289.17966	1.2
295.16797	0.9
313.17969	1.4
361.12961	0.7
373.17621	0.7
417.18811	1.1
445.24344	0.7
460.17480	0.6
488.18350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01587	1.1
54.18993	0.9
69.03430	1.6
69.87840	3.4
79.05495	1.2
81.03400	3.7
85.02926	2.0
86.85863	0.9
89.03911	8.6
97.02850	1.0
107.04980	1.7
109.02847	2.0
117.03360	10.7
119.04924	1.0
123.08089	1.4
135.04407	20.3
135.05370	1.8
137.05960	1.8
142.91989	1.1
145.02832	12.5
147.04422	4.3
163.03888	100.0
164.04266	3.1
181.04890	3.0
272.75378	1.2
307.08057	5.9
325.09152	3.8
354.34537	1.2
463.92569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.6
51.02368	0.9
53.03952	0.6
54.14362	0.4
54.48951	0.4
67.05496	0.7
68.78114	0.4
70.54196	0.5
70.54527	0.4
77.03912	1.4
79.05486	4.6
91.05463	3.3
93.07040	0.6
95.04958	3.9
98.43099	0.4
103.05449	1.8
105.03410	2.0
105.04490	1.4
105.06994	2.2
107.04972	1.2
107.08501	0.5
107.34335	0.4
108.05706	0.6
109.06512	1.2
115.05439	1.6
117.06985	1.3
119.04941	1.1
120.05724	0.7
121.06490	2.6
123.04414	0.6
123.08054	0.9
128.06187	2.8
129.06992	3.0
131.04903	2.6
133.06477	6.1
135.04398	100.0
135.76367	0.4
136.05237	3.0
137.05946	3.3
138.06728	1.2
143.04913	1.1
143.08543	3.5
144.05801	0.5
145.06462	3.2
146.07184	0.5
147.08009	1.6
148.05177	8.5
149.05974	3.7
150.06715	0.7
151.03899	1.8
151.07510	5.1
153.05434	0.6
153.09035	0.5
157.06458	3.1
158.07175	0.7
159.08031	2.3
160.05183	0.6
161.05954	4.5
163.07524	5.2
164.08331	0.8
165.05452	2.0
165.09119	2.4
166.06230	13.2
167.07045	0.8
168.07845	0.6
171.08054	4.4
172.05212	1.0
172.08765	0.6
173.05951	4.6
174.06854	0.6
175.07492	3.0
176.08261	3.4
177.05479	0.9
177.09103	2.8
179.07066	0.6
180.07768	3.4
181.08571	65.0
182.08937	1.2
183.10107	0.4
185.05943	1.7
186.06747	2.4
187.07512	9.7
187.09023	0.4
188.08270	1.9
189.05392	0.8
189.09064	3.1
190.09824	1.5
191.07062	0.8
192.07832	0.9
193.08588	2.1
195.10126	6.9
199.07565	1.0
201.09079	9.6
202.09863	3.5
203.07030	1.9
203.10638	1.0
204.07858	0.5
205.08592	0.9
206.09366	0.8
207.10135	8.0
209.11653	0.5
216.11414	3.4
217.08504	1.5
218.09384	1.6
219.10130	2.0
221.11713	1.5
231.10150	0.7
232.10788	0.8
233.09581	0.4
233.11697	7.5
247.10951	0.5
247.13284	5.9
291.10083	0.5
305.11707	0.6
306.12399	0.5
307.13235	1.0
308.14081	1.2
309.14740	0.7
323.12799	0.7
331.02954	0.4
334.91818	0.4
337.14218	1.4
338.15082	4.9
339.15897	3.3
341.17270	0.4
351.15656	0.5
354.10239	0.6
354.14569	12.4
355.14969	0.5
369.12164	0.9
369.16916	18.5
370.17252	0.6
374.74500	0.5
387.18048	1.3
397.63293	0.5
403.00397	0.5
512.33673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11240	2.3
59.92965	2.3
67.05489	3.2
68.78062	2.9
69.20158	2.5
69.77712	8.3
81.07050	3.9
91.05458	5.2
93.07043	3.1
95.71674	3.4
98.23454	2.7
105.06998	7.0
107.08555	4.0
108.54657	2.9
116.98349	2.4
119.08587	4.0
121.10104	2.8
239.06772	39.7
244.72092	2.6
289.11960	100.0
357.88708	3.2
426.39392	2.9
449.55188	2.8
489.22421	52.8
489.34406	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	489.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.1
59.22872	2.2
65.03931	2.4
67.05492	4.0
71.43293	2.6
79.05483	7.2
81.07058	5.0
85.23845	2.0
89.89941	2.3
91.05471	4.9
93.07050	6.6
95.04966	3.7
95.08578	3.7
105.07022	6.1
107.08578	3.7
109.06537	3.2
119.08578	4.6
145.10156	2.7
149.02333	17.8
149.45337	2.5
159.04190	2.7
193.04945	14.2
193.93790	2.4
200.38884	2.2
239.06786	72.2
240.06999	2.8
289.11948	70.1
289.14914	4.2
290.12610	2.5
328.18716	5.2
341.06656	3.5
359.07330	2.5
385.09280	9.0
429.11710	2.8
473.14343	23.5
489.22433	100.0
490.22653	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	489.2246
Annotation	11-Methoxykopsilongine N(4)-oxide
Peak:m/z	Relative Intensity
62.21327	2.3
65.47608	1.8
67.05502	2.5
67.09374	1.9
69.76458	1.7
70.55212	2.8
70.55547	2.4
75.71624	1.9
79.05479	2.0
81.07021	1.8
85.92037	2.0
88.10487	1.7
90.97032	1.8
91.05531	2.4
93.06980	2.3
95.08616	1.8
96.57532	2.0
101.68497	2.1
110.95435	1.7
117.33563	1.8
119.08565	5.1
122.96107	1.7
133.10181	3.0
142.07747	2.2
147.11681	3.0
151.74513	1.8
187.14893	2.0
189.16306	2.6
201.16393	2.7
205.15913	2.2
207.41106	1.8
239.06789	64.1
239.09036	3.9
240.07132	2.7
240.81522	1.9
245.72432	2.1
289.11963	75.5
290.12241	3.3
489.22458	100.0
490.22668	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11240	2.3
59.92965	2.3
67.05489	3.2
68.78062	2.9
69.20158	2.5
69.77712	8.3
81.07050	3.9
91.05458	5.2
93.07043	3.1
95.71674	3.4
98.23454	2.7
105.06998	7.0
107.08555	4.0
108.54657	2.9
116.98349	2.4
119.08587	4.0
121.10104	2.8
239.06772	39.7
244.72092	2.6
289.11960	100.0
357.88708	3.2
426.39392	2.9
449.55188	2.8
489.22421	52.8
489.34406	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	489.2249
Annotation	11-Methoxykopsilongine N(4)-oxide
Peak:m/z	Relative Intensity
57.72207	1.7
57.88569	1.6
65.11838	1.8
65.30193	1.8
70.55003	3.4
75.24514	1.6
79.66901	1.6
79.91721	1.7
88.01743	1.7
91.05473	2.7
109.32015	1.5
111.39334	2.0
119.08611	1.7
239.06775	48.9
240.07143	2.5
252.19437	1.9
289.11935	30.2
326.64774	1.8
389.17197	2.5
474.86572	2.1
489.22470	100.0
490.22858	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	489.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44428	3.4
54.30824	3.0
104.12817	2.9
119.08597	3.5
239.06787	100.0
289.11954	47.7
489.22427	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56943	0.3
56.49110	0.3
58.62830	0.3
61.11052	0.3
65.06225	0.3
79.05479	0.7
81.07015	1.3
82.29539	0.3
91.05441	1.5
93.07028	0.6
95.04945	0.8
95.08593	0.4
105.07031	2.1
109.02689	0.3
109.97478	0.3
112.51924	0.3
117.07000	0.8
119.08546	0.4
123.04199	3.6
128.06204	0.6
129.06996	0.4
130.07803	0.4
131.08513	1.1
142.07745	0.3
143.08548	0.7
145.10063	1.4
169.67699	0.3
173.09535	0.5
220.82793	0.4
223.09395	100.0
224.09785	2.1
241.10545	0.4
244.43346	0.3
254.41302	0.3
264.12067	0.5
271.12885	1.1
289.14075	42.8
290.14542	1.5
329.25653	0.4
330.16711	1.1
334.16837	0.4
489.24597	15.4
490.25082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.7
50.38361	0.7
51.14439	0.7
55.51109	0.7
56.25034	0.7
56.57914	0.6
62.35762	0.6
67.05504	0.8
69.22298	3.8
69.22591	1.2
70.43482	0.6
70.64922	0.6
80.97572	0.7
91.05460	1.9
105.07011	2.5
112.05181	0.6
119.08502	0.8
123.04175	2.4
129.58211	0.7
133.10129	1.1
143.08589	1.3
143.73515	0.7
145.10104	1.4
167.66121	0.8
222.77785	0.6
223.09387	49.2
224.09695	1.6
271.13043	3.2
289.14069	100.0
290.14273	4.4
307.15286	1.0
330.16736	0.9
450.76453	0.7
483.71841	0.9
489.24591	15.2
490.24295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05258	1.6
55.05505	21.7
56.76875	1.2
57.03423	5.1
57.07064	2.0
59.04991	3.1
65.03944	2.5
67.05495	100.0
68.05830	1.2
69.07067	14.6
69.23180	5.1
71.04984	4.4
79.05482	34.9
81.07043	42.5
83.08603	8.0
85.06532	3.0
85.86569	1.2
90.26919	1.3
91.05470	33.7
93.07033	39.9
95.04963	5.5
95.08593	28.9
97.06532	3.0
97.10170	5.2
105.04505	2.7
105.07018	25.1
107.08575	22.7
109.01859	1.3
109.06487	1.8
109.10144	55.4
111.08066	2.4
117.07022	9.7
119.08563	32.3
121.10117	16.4
123.11704	3.2
125.09634	1.7
129.06987	3.8
131.08543	16.3
133.10121	16.8
135.11650	10.1
137.09644	3.4
143.08559	5.1
145.10097	16.3
147.11679	13.5
149.13240	6.1
155.08604	2.8
155.10718	2.9
157.10136	5.9
159.11655	12.4
161.13252	6.7
163.11249	1.3
163.14807	2.3
169.10074	2.5
171.11691	5.9
173.11731	12.8
173.13272	8.7
175.14841	3.8
181.09995	1.8
183.11662	3.5
185.13292	6.8
187.14847	4.8
197.13301	3.0
199.14795	3.3
201.16330	2.5
211.14816	1.4
213.14670	1.5
213.16516	3.3
229.14331	2.3
243.21111	2.4
261.22150	8.3
271.20355	1.6
285.22229	2.7
317.24777	3.0
379.30020	8.8
391.28571	2.0
397.30933	13.6
398.31372	1.9
415.32040	5.0
433.33435	1.6
471.34766	12.8
489.35684	93.4
490.36325	8.0
490.42548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03935	1.8
55.01871	1.6
55.05507	17.6
57.03415	2.8
57.07070	2.5
59.04997	3.8
59.58437	0.7
65.03943	3.8
65.04221	0.6
67.05496	100.0
69.03429	0.9
69.07059	11.2
69.22074	4.2
71.04982	2.3
71.95474	0.7
77.99330	0.6
79.05116	0.4
79.05481	30.5
81.07047	36.9
83.04980	1.8
83.08601	9.5
85.06540	2.7
91.05470	23.4
93.07034	32.6
95.04958	5.6
95.08596	23.3
97.06531	2.1
97.10163	2.0
99.08082	1.4
105.04510	2.5
105.07019	20.1
105.07735	1.3
107.08578	15.3
107.09254	1.1
109.06511	1.1
109.10143	54.3
110.10458	0.9
111.08066	3.8
112.23775	0.6
117.07001	7.3
119.08562	21.0
121.10131	14.7
123.08073	0.9
123.11726	1.6
125.09618	1.0
129.07008	2.5
129.47452	0.6
131.08543	12.2
133.10124	13.4
135.11664	7.5
137.09616	3.0
139.11264	1.1
141.07016	0.9
142.07805	0.7
143.08586	3.6
145.10103	10.7
147.11679	8.7
149.13234	5.1
155.08604	1.1
155.10660	2.7
157.10078	3.5
159.11676	7.3
161.13235	4.7
163.14795	1.6
169.10153	2.7
171.11729	2.8
173.11746	16.0
173.13264	7.1
175.14803	2.8
183.11673	2.1
185.13257	2.7
187.14781	3.2
195.11722	0.8
197.13284	1.1
199.14833	2.4
201.16362	1.7
211.14830	0.8
213.14615	0.8
213.16396	1.5
217.15807	0.9
227.18097	0.8
229.14340	1.5
239.18033	1.4
241.19586	1.5
243.21086	2.1
253.19446	0.9
259.20618	2.0
261.22061	7.0
261.46725	0.6
273.21979	0.7
285.21997	1.6
299.23706	1.1
317.24771	2.3
379.29822	4.8
380.30176	0.7
391.28116	0.7
397.30957	8.4
403.96927	0.7
415.32050	2.8
434.91553	0.7
471.34680	4.8
489.35715	74.7
490.35950	4.1
508.71387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13982	0.3
60.21623	0.3
65.03921	0.7
69.03413	0.4
70.56084	0.6
81.03426	0.9
85.02896	0.7
85.74738	0.3
90.24892	0.3
91.05470	8.7
96.64124	0.3
109.02841	0.6
116.11834	0.3
119.04935	22.1
121.10162	0.4
147.04401	100.0
148.04750	1.6
163.03903	0.8
165.05469	0.7
183.97453	0.4
189.16382	0.4
207.17549	0.4
255.83360	0.4
291.08609	0.6
322.24048	0.5
494.67276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08244	2.0
65.98815	2.3
69.32747	11.5
78.35971	2.3
81.03419	7.3
81.07049	3.3
85.02903	16.9
89.03917	3.6
93.07037	4.1
97.02849	3.4
98.22710	4.7
103.05446	12.5
105.07019	4.9
107.08566	2.7
109.02882	5.6
109.10176	3.6
117.03367	12.1
121.10223	4.1
123.11696	18.0
127.03974	3.0
131.04912	58.1
142.55885	2.1
145.02826	38.5
147.04440	6.6
149.05969	12.0
149.09615	6.5
163.03905	5.7
168.61580	2.1
171.11559	2.6
177.05455	100.0
182.08194	2.5
189.12733	4.0
192.06067	2.2
207.13841	18.1
238.51395	2.3
242.08168	6.8
272.66364	2.5
287.05563	4.1
293.10107	4.8
321.09634	5.5
339.10721	9.5
446.16644	2.8
490.16815	9.4
491.21317	2.9
491.31870	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	490.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.7
60.14740	3.9
65.71642	4.6
67.05487	13.0
69.03398	7.7
69.07056	11.8
69.17470	20.6
73.22349	3.8
79.05485	19.3
81.07064	28.4
83.04963	14.1
83.08611	9.7
85.06526	8.8
91.05477	27.7
93.07054	25.0
95.04961	64.1
95.08598	26.8
97.02882	6.0
97.06516	8.7
105.03395	7.6
105.07026	100.0
107.08572	39.5
109.06510	22.0
109.10149	15.5
115.05449	5.1
117.06998	13.2
119.08569	63.8
121.06494	13.7
121.10130	15.7
123.08031	6.8
124.07590	4.4
128.06198	4.7
129.06982	13.3
130.07773	5.8
131.08557	35.8
133.06433	6.0
133.10126	21.0
135.08046	14.1
135.11676	5.6
137.09615	7.5
142.07768	21.5
143.08554	10.1
145.10117	42.9
147.08005	5.6
147.11678	54.4
149.02335	21.5
149.09569	7.4
155.08569	4.4
156.09395	5.1
157.10129	41.3
159.11667	34.3
160.08815	5.4
161.09578	22.9
161.13283	6.0
163.11163	5.5
171.11610	6.1
173.09668	5.0
173.13252	10.6
175.11185	84.8
177.12752	5.7
182.10928	6.1
187.14822	33.6
189.12729	60.8
191.14218	5.2
193.04927	13.1
193.12228	32.1
197.13284	12.1
205.15906	12.4
215.14314	41.8
233.15327	33.5
251.16386	8.2
264.36002	4.2
268.36819	3.9
341.06506	5.1
385.08829	12.1
424.77493	3.5
429.12677	4.6
473.14264	15.8
490.23154	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	491.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37524	1.0
62.68529	1.2
67.04794	1.1
70.10963	3.6
75.66798	1.1
86.54392	1.2
137.71935	1.0
473.17331	1.3
485.35358	1.2
491.16733	100.0
492.17123	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	491.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
71.85925	1.7
74.14518	1.4
79.78830	1.6
100.78294	1.5
340.43744	1.7
449.24142	1.8
491.16745	100.0
492.16873	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	491.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
67.67320	2.3
80.51989	2.5
86.09724	2.6
89.03931	5.9
107.08584	5.2
117.03377	16.6
145.02827	43.6
149.05989	4.7
151.03899	3.9
163.03893	3.6
175.14894	3.2
177.05458	100.0
181.05035	3.8
201.86092	2.6
210.63129	2.5
317.65210	3.1
320.56567	2.6
339.10980	4.7
491.13693	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	491.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68188	1.3
58.06242	1.1
59.65305	1.2
63.02365	1.2
65.85609	1.1
69.03419	1.4
70.06573	1.3
71.14397	1.6
81.03422	2.6
85.02905	2.0
86.09725	1.4
89.03915	12.8
95.04962	1.7
107.04937	1.7
107.08572	2.0
114.22236	1.2
117.03367	24.6
135.04408	12.1
145.02835	55.6
146.03195	1.3
149.05931	8.1
150.05467	3.5
151.03885	2.1
163.03883	48.3
164.07069	2.4
174.05527	1.4
177.05460	100.0
181.04956	1.5
182.73367	1.5
192.06573	2.7
204.06599	1.5
247.05086	1.7
284.11346	2.7
294.09622	2.5
310.09140	2.6
311.09583	4.0
312.10764	6.0
321.09628	3.6
330.11807	28.0
339.10608	4.6
491.14798	3.8
492.14590	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72007	2.8
69.14183	17.9
89.03906	5.6
91.05434	4.6
115.21798	2.9
117.03358	8.4
119.04932	8.5
134.54802	2.7
135.04413	19.0
145.02847	11.9
145.77779	2.5
147.04388	37.0
163.03891	100.0
164.04163	3.5
181.04961	8.1
223.68178	2.7
227.05240	12.3
287.03207	2.7
287.07294	9.5
325.09201	3.6
491.12976	7.9
491.17221	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	491.1886
Annotation	Compound E
Peak:m/z	Relative Intensity
62.03999	0.3
62.74328	0.3
67.45038	0.3
69.62583	0.5
69.62955	0.7
77.03957	0.4
98.22795	0.3
105.03380	0.4
123.04424	8.3
123.05280	0.6
135.04428	0.9
176.06235	0.3
192.61894	0.3
225.35280	0.3
250.70634	0.3
259.06213	0.3
260.10376	0.4
267.06479	0.3
329.17511	1.5
369.06027	4.7
439.10657	0.3
463.09772	0.5
491.09995	8.8
491.18817	100.0
492.09756	0.6
492.10901	0.6
492.19101	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	491.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30826	0.6
69.93479	1.7
77.13754	0.6
79.05527	0.7
81.03420	0.8
95.04987	1.5
107.04956	1.1
109.02865	0.7
109.06545	0.8
111.04455	0.6
113.06097	0.5
123.04454	2.5
127.03975	0.7
134.06036	0.5
135.04439	1.0
137.02345	7.3
137.03365	1.2
139.31180	0.6
139.39774	0.6
146.03331	0.6
163.03944	0.7
165.06987	0.8
179.03412	0.6
181.04971	0.7
195.01105	0.7
197.05991	0.9
203.42944	0.5
205.06372	1.3
213.05472	1.6
218.90176	0.7
221.06042	2.2
225.05566	1.5
233.06001	0.7
237.05475	1.4
249.05513	2.3
251.06972	1.2
255.06450	0.7
259.06082	2.5
265.04877	0.8
267.06506	1.1
269.04443	7.9
269.09619	1.4
273.09091	0.8
277.04950	1.0
283.07632	0.7
293.04434	2.2
294.05124	3.0
295.05988	5.6
297.09113	1.6
301.08588	1.1
315.10287	0.9
324.07895	0.8
325.08694	1.8
329.07990	3.0
335.06119	0.8
342.08835	1.1
343.09479	3.2
345.07623	2.2
346.08319	1.3
347.09039	0.7
353.08157	2.5
357.07431	4.8
358.08209	0.7
359.09222	1.7
371.09061	3.3
373.07034	0.8
373.11203	0.7
374.07925	2.6
375.08231	0.7
381.07492	2.0
388.09320	1.4
389.10101	1.3
394.09235	0.6
399.08575	2.7
401.09708	0.7
403.08069	1.6
409.07214	1.0
417.09802	2.8
418.09793	0.7
427.07883	2.8
433.39352	0.8
435.10861	2.1
445.09000	3.5
457.09613	0.7
463.10184	12.1
464.10483	0.6
491.10522	4.3
491.18872	100.0
491.29678	30.4
492.19360	4.9
492.30981	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94333	0.8
62.98242	5.0
67.05500	3.6
69.66682	3.5
81.07053	3.1
95.08605	2.2
98.98438	4.9
109.10133	2.3
124.93757	36.6
142.94788	1.0
155.01059	4.0
156.96364	48.6
212.99004	5.4
223.89154	0.8
240.04695	1.0
262.09708	1.1
263.23883	1.1
267.05066	1.0
293.23480	1.0
323.19562	2.4
337.27264	4.7
385.83234	1.0
459.18735	13.3
464.83661	1.0
473.26056	1.1
490.44449	1.9
491.21405	100.0
492.21881	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	491.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
61.79826	0.5
64.49306	0.5
65.03905	0.6
67.05509	1.3
69.03418	0.8
69.36724	0.5
69.91067	0.5
70.62286	0.5
79.05484	1.8
81.07047	0.9
83.01109	1.0
83.04987	1.1
85.02886	0.6
85.06531	0.7
91.05486	3.9
93.07034	2.3
95.04993	2.7
95.08612	0.6
96.08160	0.9
98.22716	1.8
101.06013	0.6
105.07030	5.2
107.04990	0.6
107.08579	1.0
108.08112	0.9
109.06478	0.7
110.09676	1.0
115.05428	0.7
117.07023	4.4
119.08585	1.8
120.08125	0.9
121.02872	1.9
121.06475	0.6
121.10160	0.8
122.06063	0.8
127.03932	0.6
128.06190	1.6
129.07008	2.3
130.07767	0.7
131.08589	3.0
133.06479	1.4
133.10132	0.9
136.07500	1.0
138.09128	1.6
141.06950	0.6
142.07697	0.6
143.08559	2.2
145.06485	0.9
145.10126	4.6
147.11711	0.7
152.07133	1.0
153.07063	1.0
155.08557	1.4
157.10150	1.0
164.07126	0.5
166.08675	1.6
167.09019	0.5
173.09631	3.8
183.06282	15.1
185.13301	0.6
190.05043	0.7
198.11546	0.6
206.32808	0.5
209.10889	0.6
210.11536	0.8
211.12221	0.5
223.12300	1.4
225.05167	0.9
226.11014	0.6
237.05530	0.9
237.10222	1.2
239.11629	0.6
241.10367	1.2
247.91711	0.5
248.09460	0.8
249.10187	1.2
250.10692	1.5
251.11714	2.0
251.81271	0.6
252.09203	0.7
253.12035	1.0
255.06696	0.6
261.10333	0.9
262.10880	1.3
263.11734	1.9
264.12155	1.8
265.09644	0.8
265.12967	0.7
266.10489	1.1
266.13519	0.7
267.11188	2.5
271.13058	16.1
272.13309	0.8
278.10294	0.9
279.11188	3.8
280.11664	2.0
281.12808	0.6
282.13376	0.6
283.05997	15.8
283.09143	0.8
284.06454	1.2
285.12259	0.7
291.11221	0.9
292.11850	1.6
293.12543	0.8
294.13080	0.9
296.11566	0.6
297.12347	0.8
302.77606	0.5
305.11517	4.6
310.12689	1.9
311.05475	7.9
312.06192	1.5
313.14014	0.9
320.11029	0.8
321.12259	1.5
326.12067	1.4
327.13412	0.9
331.15149	100.0
332.15442	4.3
337.11728	2.3
338.12167	5.4
402.18381	0.6
404.19690	0.9
432.19046	2.6
447.21130	0.9
463.20792	0.9
473.19183	0.8
474.20313	1.3
491.09875	5.8
491.21164	10.8
492.09781	0.9
492.21338	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76025	2.5
87.67577	0.7
89.57216	0.7
118.07269	0.8
126.57004	0.7
241.06723	0.8
249.15726	100.0
250.16026	3.6
258.73004	0.7
306.91983	1.2
338.99069	0.7
408.48721	0.7
445.71292	0.8
496.40195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28046	1.8
70.60733	2.9
72.54438	1.7
74.26951	1.6
79.05508	1.7
91.05429	1.9
92.89260	1.7
105.07002	4.4
105.10821	1.8
107.18430	1.8
119.08564	1.7
129.06993	1.9
151.07547	12.6
165.09073	2.5
175.11143	2.1
184.07336	1.9
190.88612	2.4
217.40315	1.7
241.08337	40.7
253.78787	2.2
289.11954	83.4
290.12512	3.9
307.85535	1.7
491.23969	100.0
492.24506	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	491.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98824	1.8
70.51397	3.5
83.08572	2.1
83.86633	1.6
91.05450	2.2
92.05930	1.6
93.07047	2.2
105.06996	3.2
119.08552	3.3
121.10162	1.9
184.07274	2.2
241.08359	30.5
255.06285	5.2
264.17365	2.0
289.11963	73.1
290.12204	3.6
291.11948	2.9
339.13684	1.9
381.72717	2.0
426.43878	1.8
491.23932	100.0
492.24524	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	491.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58427	2.1
70.81991	2.3
70.82320	2.4
81.07051	2.0
91.05473	3.7
93.07036	4.3
93.36823	1.8
95.08608	2.3
98.22814	2.1
105.07014	6.9
107.08595	3.1
117.07024	3.1
119.08589	4.4
131.08484	1.7
138.64629	2.0
141.15053	1.9
148.82777	1.8
159.11662	21.4
231.61519	2.3
238.15686	2.0
249.64751	1.7
257.07834	100.0
258.08234	4.1
273.12482	84.8
274.12900	4.6
282.76364	1.9
294.51697	1.8
311.97382	1.8
325.46420	1.7
364.82785	1.9
491.24033	79.6
492.24481	2.4
492.33295	4.5
493.20389	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43769	0.6
63.69702	0.7
67.05481	1.4
69.07050	1.0
69.24108	3.8
76.56893	0.7
77.70729	0.7
78.14046	0.6
79.05470	1.4
81.03388	0.7
81.07041	1.5
91.05450	4.1
93.07073	1.0
95.04948	1.1
95.08546	1.5
97.06456	0.7
98.23470	1.4
100.05773	0.7
103.05389	0.7
105.07036	4.0
107.04941	0.8
107.08584	1.1
107.61248	0.7
115.05450	0.7
117.07015	5.3
119.08558	1.7
121.10141	0.8
127.03868	0.9
129.07028	1.3
130.74797	0.7
131.08551	3.4
133.10178	0.7
135.11662	0.7
142.07765	0.8
143.08508	1.0
145.10077	1.8
157.10107	0.6
159.11707	0.7
163.11172	0.8
165.07016	1.0
167.08531	2.5
179.08554	1.9
180.09322	0.7
180.28932	0.7
181.10135	2.3
194.10893	2.9
209.13240	21.7
217.12212	0.9
225.10944	30.7
226.11304	1.4
271.13120	2.3
289.14069	100.0
290.14401	3.7
341.06665	0.8
473.32666	0.9
474.32797	3.2
491.26071	19.1
492.26709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.8
65.03928	0.5
67.05466	0.4
69.03399	0.6
79.05449	0.8
81.07014	1.2
91.05489	1.6
93.07037	1.7
95.04931	1.1
95.08561	0.8
97.55086	0.4
98.23523	0.7
105.07029	2.9
107.08572	0.9
109.06487	0.5
109.10143	0.3
117.06951	0.6
119.04848	0.4
119.08547	2.2
121.02845	0.4
121.10117	0.5
123.04272	1.2
129.06969	0.5
131.08536	0.8
133.06375	0.4
133.10097	1.0
135.08047	0.7
141.05203	6.7
142.07791	0.4
143.08479	0.4
145.10088	1.2
147.11659	0.9
149.01215	0.6
149.02327	6.6
149.03401	0.5
149.09540	0.4
157.10051	0.9
163.03864	1.0
165.09091	1.7
169.06346	0.4
175.11154	1.4
181.20836	0.3
189.12715	0.7
191.03429	0.6
193.04936	5.4
221.27168	0.3
237.07521	3.6
241.10437	100.0
242.10783	2.9
273.14581	14.4
281.10135	2.1
283.05997	2.2
311.05405	0.9
312.06119	0.4
313.07138	0.6
341.06631	0.8
359.07632	0.4
385.08997	2.2
429.11853	2.4
473.14325	1.3
491.09958	1.5
491.19397	0.5
491.26135	14.8
492.26639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05255	0.9
55.05506	11.3
57.03437	3.3
57.07066	1.0
58.09436	0.4
63.24724	0.5
65.03931	1.3
67.05500	8.4
69.03431	0.5
69.07064	8.1
71.04982	1.2
79.05491	4.6
81.07055	11.0
83.04977	11.9
83.08606	4.7
85.06528	0.8
89.71229	0.5
91.05468	14.4
93.07045	3.7
93.93870	0.4
95.04956	2.5
95.08601	9.2
95.43513	0.5
97.06523	1.4
97.10146	3.4
99.08074	0.5
100.18113	0.5
101.06009	0.8
105.04496	0.6
105.07029	7.7
106.07372	0.5
107.08555	2.8
109.06498	1.2
109.10158	3.2
111.08066	0.5
111.11693	1.5
115.05428	1.3
117.07018	4.0
117.53514	0.4
119.04933	19.6
119.08565	5.3
121.10158	3.0
123.04483	0.9
123.08028	0.7
123.11725	1.4
125.09607	0.6
128.06203	3.8
129.06992	7.3
130.07799	1.1
131.04930	0.4
131.08569	5.0
133.06477	0.8
133.10127	3.4
135.08064	0.9
135.11691	2.5
137.13245	1.3
139.11179	0.8
141.06992	1.3
142.07730	2.7
143.08549	17.9
143.57301	0.5
144.09294	0.8
145.06487	1.2
145.10114	15.6
147.04395	100.0
147.11667	1.5
148.04712	1.8
149.09616	1.0
149.13161	0.6
151.14830	0.7
153.07007	1.3
153.12675	0.6
154.07793	0.7
155.06012	0.6
155.08545	10.3
156.09285	1.5
157.10110	8.6
159.08055	0.7
159.11678	1.8
161.09641	2.4
161.13232	2.2
165.05486	13.6
165.06958	1.9
166.07790	0.6
167.08499	0.8
169.10156	1.1
170.10864	0.8
171.08023	1.7
171.11671	2.3
173.09613	9.7
175.14819	1.7
180.09280	1.2
183.10162	0.8
183.11694	1.3
185.09610	0.6
185.13245	5.2
187.11171	1.3
191.10687	1.1
195.11699	3.7
198.10391	0.6
203.14326	1.4
205.64333	0.5
213.12717	7.6
217.19513	1.7
221.08052	1.3
231.13795	8.1
233.11609	0.7
235.20644	3.0
253.21562	0.6
291.15826	1.3
309.24265	2.1
327.25266	14.0
328.25583	0.6
360.11490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81587	0.5
55.01885	0.4
56.82879	0.4
63.02379	1.0
69.03423	0.9
69.51321	1.1
69.51716	0.9
70.06591	0.7
73.02899	0.5
75.20081	0.4
79.05477	2.0
81.03387	0.4
85.02900	0.8
85.23308	0.4
86.09666	0.6
89.03909	10.5
90.60167	0.4
95.04932	0.7
97.02881	0.7
99.82079	0.5
101.59700	0.5
104.05350	0.5
107.04960	3.1
117.03370	12.5
118.06546	0.7
132.04422	1.3
135.04405	25.1
138.05473	2.2
145.02831	16.4
145.03781	0.4
146.06000	1.5
149.04727	0.7
150.05513	4.6
152.07018	1.4
158.37114	0.4
162.05525	2.1
163.03889	100.0
164.04234	1.9
164.07051	4.6
174.05582	0.9
176.07066	1.6
179.05463	0.5
180.06583	1.4
181.07390	0.4
184.07550	1.0
190.08603	0.6
192.06509	3.3
194.08328	0.4
195.05243	0.6
200.07063	2.1
202.08604	2.0
206.08214	0.5
208.06032	0.8
209.11778	0.6
212.07076	0.5
218.08057	1.0
220.05966	1.1
220.09694	2.0
227.12787	0.8
230.08119	1.5
236.09238	0.7
238.10754	0.6
248.09244	1.9
256.08139	1.7
266.10220	2.0
276.08469	0.5
284.11298	4.9
294.09717	4.6
312.10712	13.3
313.11444	0.6
330.11801	68.0
331.12292	2.3
452.01257	0.5
492.14929	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	492.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73602	2.1
56.73871	2.0
69.03413	3.0
70.20364	4.1
76.33074	1.9
76.45592	2.0
82.06377	1.9
85.02874	13.7
97.02878	3.5
115.05453	5.0
127.03972	2.4
135.04410	5.0
143.04898	15.2
147.04422	11.9
155.95885	1.9
161.05945	39.9
163.03894	26.3
165.05505	2.8
171.04413	5.3
173.06004	3.4
175.03900	6.0
177.05484	3.1
181.04903	2.9
185.05960	3.0
189.05438	56.2
191.06834	2.3
193.04951	8.2
201.05484	3.0
203.07094	2.6
205.04950	3.4
213.05411	5.8
215.06886	2.2
217.05016	8.6
231.06520	11.1
235.05983	100.0
259.06061	13.0
277.07016	8.9
295.08038	15.4
330.11957	3.1
422.38306	2.3
518.90540	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	492.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18743	2.0
53.03951	3.7
55.01854	3.5
55.05502	2.5
57.03428	2.5
62.26218	1.8
65.64902	2.1
67.05489	7.0
68.99792	2.0
69.03428	13.8
69.07040	2.0
70.59125	3.8
71.04984	6.7
74.33867	2.0
79.05489	5.6
81.03421	16.4
81.07056	3.8
83.04978	5.5
85.02897	33.8
85.06540	41.2
87.00822	12.1
91.05479	7.7
91.30548	2.0
93.07033	8.1
95.04929	4.4
97.02906	13.8
99.04411	4.1
99.08102	2.2
105.01859	10.5
105.07013	4.5
107.08594	10.1
109.02868	20.9
109.06488	5.0
111.04425	7.7
117.07010	2.7
119.08562	7.5
121.06494	6.6
121.10124	7.7
123.08039	2.6
124.11331	2.1
125.05975	2.8
127.03902	17.7
129.06978	4.0
131.08537	22.3
133.10143	5.9
135.11652	4.7
137.05963	2.2
139.03947	3.2
145.04900	10.1
145.10100	9.4
149.09612	22.5
153.05428	2.4
159.02888	4.7
163.11162	8.0
165.09198	4.4
167.10648	14.7
167.14249	3.0
181.04935	10.9
182.05293	6.4
191.10667	31.2
191.14233	5.1
209.11717	46.3
209.15244	11.7
227.12767	100.0
228.13126	4.1
231.04967	2.9
253.08905	3.2
295.05841	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	492.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37900	2.3
77.03928	1.4
78.04716	2.1
79.01836	1.1
79.05480	5.9
79.53291	0.8
81.07079	1.1
87.72593	0.8
91.05471	3.2
93.07041	1.3
95.04963	2.6
103.05468	8.4
105.04517	2.1
105.07024	2.9
106.04147	2.2
107.04945	6.1
109.06580	0.9
115.05453	3.7
117.07007	2.3
119.04922	1.4
121.06567	2.2
123.04423	4.5
124.05186	2.9
128.06235	1.5
129.06964	3.5
131.04901	13.5
131.08559	2.1
133.06458	4.5
134.03596	1.3
135.04402	100.0
135.08081	3.1
136.04742	1.8
137.05949	8.2
141.07016	1.8
143.04927	3.8
143.08528	5.4
144.05676	1.2
145.06467	3.7
149.05962	16.7
151.03932	1.7
151.07515	13.8
152.04651	1.7
157.06538	2.7
159.08041	3.5
160.05203	1.3
161.05971	15.8
163.07521	21.9
167.07019	71.9
168.07330	1.4
169.06491	1.5
171.08051	4.3
173.05952	8.7
173.09612	2.0
175.07576	4.3
181.08601	3.9
185.05959	15.2
186.06740	1.7
187.07487	10.9
193.08562	4.9
195.10210	1.1
199.07555	2.9
201.09100	12.7
205.10152	3.3
207.10216	1.8
215.08501	1.5
218.07211	1.4
219.10196	6.7
233.09592	3.6
233.11728	10.3
235.07474	1.0
261.09094	2.6
263.10635	2.5
265.12128	1.0
273.09210	1.1
291.10049	8.1
292.10532	1.0
293.11746	2.0
295.13422	1.7
323.12729	26.5
324.12988	1.4
325.14487	1.6
355.15359	29.6
356.15704	1.9
373.16541	1.8
397.15463	1.0
415.80148	1.2
493.25723	1.7
499.98041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44014	0.3
53.03939	0.4
55.01850	0.5
57.03416	0.3
65.03948	0.3
67.05482	1.0
69.03422	1.9
70.96451	0.3
73.02898	0.5
79.05470	1.0
81.03422	1.6
81.07029	1.0
85.02900	4.7
87.00815	1.5
91.05471	6.1
93.07032	0.7
95.04945	0.6
97.02884	1.4
99.04462	0.7
103.05458	2.6
105.01846	1.8
105.07026	5.3
107.08572	0.4
108.04416	0.5
109.02860	1.3
114.42941	0.4
115.05457	2.9
116.06251	0.5
116.83712	0.3
117.07008	15.8
123.04478	0.4
127.03927	2.7
129.07008	1.8
131.08557	7.1
135.11658	0.3
141.06940	0.9
143.08498	0.3
145.04948	1.2
145.10120	0.3
152.06229	0.5
153.06969	0.9
155.08545	0.8
159.02890	0.6
163.11372	0.5
165.06967	4.6
166.07791	2.9
167.08548	8.9
168.09096	0.4
169.10057	0.4
178.07777	0.8
179.08539	14.3
180.09306	4.3
181.10109	11.0
182.10458	0.4
192.09361	0.9
193.10031	1.3
194.10895	14.3
205.01540	0.3
207.11705	1.2
209.13232	100.0
210.13551	3.6
225.10985	2.2
226.11295	1.5
231.04889	0.9
248.07645	0.5
285.07098	0.4
289.14047	5.1
290.14417	7.0
367.29947	0.4
380.45834	0.4
412.70361	0.4
492.26639	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93540	1.8
56.50460	2.1
59.05027	2.4
62.21093	1.8
63.33905	1.8
67.05493	2.5
69.03419	2.2
69.07058	5.0
79.05479	17.7
81.07051	19.2
85.02893	7.3
91.05482	7.2
93.07047	9.6
95.08597	8.4
97.02853	2.8
97.06517	3.6
98.23549	2.8
105.01846	4.9
105.07034	5.9
107.08590	52.0
109.02855	2.4
109.06523	5.8
119.08578	5.1
121.10117	18.7
123.08078	4.7
125.09618	4.2
127.03869	2.5
133.10149	4.3
135.04472	5.1
135.11716	3.1
139.03894	2.8
145.02768	3.5
147.04431	2.4
151.03883	2.2
160.32822	2.1
161.13234	16.5
163.03918	11.3
163.14853	5.2
173.13225	3.3
177.05464	2.8
179.14290	100.0
180.14728	3.0
181.04993	6.9
191.14261	14.4
209.15335	13.9
221.05945	2.7
249.05562	5.7
251.34724	2.2
295.06070	5.8
295.09595	4.7
302.33701	2.2
313.10629	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.05508	10.2
56.75108	4.8
62.93496	4.8
67.05508	6.4
69.03423	19.7
69.07065	15.4
70.85842	9.4
77.47798	4.3
79.05476	11.1
81.03428	16.6
81.07013	5.7
83.08597	5.5
85.02888	17.9
85.06545	21.9
87.00835	7.5
87.04464	13.6
91.05489	13.2
93.00404	5.1
93.07065	8.1
95.08613	11.0
97.02885	17.6
99.04478	9.9
104.07101	11.6
105.01862	8.7
105.07052	17.5
107.04937	6.0
107.08598	18.4
109.02835	10.1
109.10207	5.7
111.04426	9.6
111.51040	4.4
118.85691	4.4
119.08575	55.9
121.06470	5.5
121.10147	17.6
125.09587	4.7
127.03933	17.5
131.08525	24.0
133.10117	53.6
135.04430	6.3
135.11662	5.5
139.03926	9.9
143.08514	5.8
145.02837	13.2
145.04956	4.8
145.10147	19.1
147.04419	15.0
147.11668	6.9
149.09671	14.1
149.13304	5.3
151.03900	9.4
163.03934	22.0
164.04250	8.2
167.10645	10.8
173.13290	17.6
175.14810	100.0
177.05475	20.2
181.04958	7.1
191.10654	19.0
191.14276	35.3
209.11734	19.9
209.15332	12.7
227.12764	45.8
258.55991	6.1
295.05865	11.4
313.07166	6.8
319.35864	5.2
404.48547	4.5
492.14633	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.6
55.01858	8.1
55.05494	7.8
57.03425	3.6
57.07058	5.2
61.02920	3.4
64.67109	2.7
67.05491	11.7
69.03425	21.8
69.67981	7.5
71.04975	7.5
73.02905	6.0
79.05471	10.6
81.03416	18.6
81.07052	11.5
83.04994	11.5
83.08592	5.4
85.02896	45.0
85.06533	58.3
87.00823	23.8
91.05470	10.6
93.07036	13.7
95.04950	11.9
95.08600	5.7
97.02883	18.1
97.06523	6.3
97.61473	2.4
98.22671	3.4
99.04443	11.0
105.01849	18.9
105.07017	10.1
107.04955	6.6
107.08580	22.4
109.02872	21.6
109.06519	14.6
109.10127	13.1
109.61983	2.2
109.86079	2.5
111.04434	4.9
111.08086	3.3
117.01897	3.6
117.07013	3.5
119.08559	13.4
121.06496	5.9
121.10159	17.0
123.08005	2.4
125.09667	2.8
127.03903	30.7
129.24127	2.5
131.08571	33.4
133.10118	17.0
135.08052	3.7
135.11673	3.6
139.11185	3.0
145.02855	2.8
145.04977	6.9
145.10138	13.8
147.08072	3.8
147.11705	6.4
149.09616	33.2
149.13179	5.3
151.07549	2.3
151.11128	5.8
153.05447	3.1
153.09070	6.0
159.02875	7.7
163.11153	10.9
165.09093	3.9
167.10651	20.1
167.14272	6.2
173.13235	11.8
177.05479	4.5
187.05981	2.6
191.10658	43.0
191.14284	8.4
197.32440	2.5
209.09859	2.0
209.11719	57.2
209.15321	40.8
227.12756	100.0
227.16356	6.2
231.04918	5.2
247.71083	2.4
250.36963	3.1
284.29376	2.3
294.28979	2.4
393.21188	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.1
55.01877	7.5
55.05504	7.8
55.67828	6.5
67.05491	16.8
69.03427	36.3
69.07057	11.2
70.06602	7.2
70.55379	9.7
72.85510	6.9
79.05489	16.1
81.03417	42.8
81.07063	49.8
83.04981	22.9
85.02895	75.5
85.06554	7.7
87.00824	21.8
91.05476	17.3
93.07040	28.6
95.04972	44.9
95.08617	19.5
97.02898	34.5
97.03446	7.0
97.06548	11.9
99.04463	24.4
105.01891	31.7
105.07047	32.3
107.08599	38.3
109.02872	65.6
109.06519	84.5
109.10159	35.5
111.08093	7.7
115.07537	6.4
117.01831	8.2
119.08579	27.3
121.10139	33.8
123.08076	11.1
123.11694	12.1
127.03912	66.1
128.04256	7.3
131.08572	24.8
133.10123	91.2
135.08075	17.4
135.11700	12.4
139.11153	18.2
143.08522	7.3
145.04982	23.9
145.10153	12.8
147.11711	13.8
149.13254	32.8
151.11241	7.4
153.09097	23.2
158.10970	11.9
159.02855	16.8
163.03886	11.0
163.14824	19.8
173.13272	85.9
187.06035	8.6
191.14342	100.0
197.80429	6.0
208.51457	6.5
209.15349	62.8
210.33119	6.7
218.88884	6.6
227.16316	9.4
231.05020	8.2
295.05988	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01857	2.2
55.52496	1.0
56.11391	1.0
57.03422	1.4
61.02926	2.0
69.03410	5.2
71.04965	2.2
71.06161	1.2
71.06487	1.1
73.02914	1.8
81.03398	4.2
85.02895	17.8
85.89360	0.9
87.00822	8.0
91.05469	1.9
93.07047	1.0
95.08605	7.3
97.02892	8.8
97.06502	2.0
99.04448	3.2
105.01859	11.9
105.07018	4.4
107.08591	2.8
109.02864	9.5
109.10122	1.6
111.04454	1.0
119.08617	1.9
121.10128	4.2
125.17572	1.1
127.03896	13.0
129.01836	1.3
131.08542	5.5
133.10118	100.0
134.10410	1.9
138.63072	1.2
145.04987	7.0
145.10080	1.9
147.11690	1.2
149.13464	1.1
151.11176	4.1
158.10922	3.1
159.02895	4.1
163.11339	1.1
163.14799	3.0
173.11842	2.0
173.13257	29.6
191.14301	24.5
209.15344	9.4
231.04977	4.9
241.16455	1.1
249.05891	1.8
267.06393	1.0
295.05988	2.8
341.03577	1.1
487.83304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05352	0.4
67.05473	0.6
71.16590	0.5
79.05489	1.1
80.06276	0.7
88.36761	0.5
91.05489	3.4
93.07055	1.3
95.04939	1.1
104.63042	0.5
105.03384	0.7
105.07052	1.0
106.04168	0.8
107.04951	6.4
108.05750	2.3
109.06509	1.0
117.07050	0.7
121.06485	2.1
124.73505	0.5
129.06909	0.6
130.17261	0.6
131.04900	0.7
133.06471	0.9
135.04382	2.7
135.08043	2.0
136.05190	9.6
137.05991	2.5
145.06508	1.2
146.07292	0.7
147.08054	2.6
150.06773	2.4
151.07530	100.0
152.07909	1.8
157.06435	0.7
158.07298	0.8
159.08052	0.7
159.44650	0.5
160.08839	0.6
161.09610	0.8
163.07550	1.1
164.08310	0.7
165.09103	10.3
167.77048	0.5
171.08008	0.9
172.08775	0.5
173.09531	0.6
174.06717	0.9
175.07533	1.0
177.09084	5.0
179.10721	1.2
186.10393	1.7
187.07529	1.6
188.08290	3.3
189.09084	3.7
191.10660	3.2
193.08578	1.3
201.09087	1.5
202.09933	2.4
203.10651	5.4
217.12225	9.7
309.14844	0.9
319.69601	0.5
323.16446	1.9
324.17157	0.7
340.16705	10.9
353.17438	0.6
355.18985	16.7
356.18994	0.7
373.20013	1.0
401.33487	0.5
504.33435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	20.7
67.05494	60.0
69.07051	40.0
79.05479	27.0
80.68315	14.0
81.07050	100.0
91.05470	43.1
93.07050	75.1
95.04939	23.8
95.08591	86.2
98.23535	27.4
101.05981	12.6
105.07053	80.3
107.08573	60.9
109.10156	65.8
109.41306	17.0
117.64609	12.4
119.08596	70.0
121.10155	64.5
123.11703	38.1
125.09555	14.7
131.08546	31.4
133.10121	44.9
135.11642	32.4
137.09584	17.6
143.08672	13.3
145.10126	25.8
147.11687	41.5
149.13275	23.4
151.11145	18.0
159.11629	22.0
161.13243	17.3
171.11662	13.5
173.13234	20.0
189.16307	13.9
216.64618	17.1
232.08257	14.8
301.62964	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03941	0.5
55.01861	0.5
55.05505	0.5
56.49958	0.4
63.02367	0.5
67.05486	1.6
69.03427	0.6
69.07041	0.4
71.43607	0.4
76.03767	0.3
77.03925	2.2
78.04728	0.5
79.05476	2.3
81.03412	1.2
81.07020	0.8
85.02879	0.6
89.03905	4.9
91.05447	2.4
93.07024	0.9
95.04948	2.7
95.08597	0.7
97.02876	0.5
105.03369	1.9
105.04509	0.8
105.06991	0.5
106.04161	0.5
107.04938	3.5
107.08602	0.8
109.02841	1.7
111.04450	0.5
117.03371	4.1
119.04942	0.6
119.08557	0.6
122.03571	0.4
123.04413	92.9
124.04758	1.6
127.03922	0.9
133.02861	1.0
134.03607	5.4
135.04398	24.0
135.11626	0.4
136.04674	0.6
137.02356	2.4
137.03305	0.5
145.02831	2.7
147.04382	4.7
149.02350	1.1
151.03972	0.6
163.03880	100.0
164.04265	2.6
165.06995	1.2
169.06450	0.6
176.04683	0.7
177.05508	2.2
187.04024	0.4
191.03363	31.1
192.03714	0.5
193.06462	0.7
193.10753	0.4
195.08197	0.5
196.98668	0.4
197.05975	0.8
204.04170	1.4
205.04956	0.7
209.04393	3.6
211.07533	0.8
215.07062	0.6
221.05980	1.3
223.07527	0.6
239.06978	2.4
243.06303	0.4
249.05457	1.1
251.07181	0.6
253.04912	0.5
256.07394	0.8
257.08060	0.7
267.06479	3.5
268.07245	1.6
269.07956	1.3
271.06000	3.5
279.06595	0.9
285.07532	86.0
286.07867	2.6
295.05930	1.8
297.07565	0.8
313.07025	16.8
314.07721	0.6
331.08047	5.6
345.43619	0.4
355.09689	0.4
371.07468	2.1
401.23065	0.5
429.09622	0.7
447.10806	0.7
493.11221	78.3
494.11533	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
52.65556	1.4
55.05507	2.5
66.43150	1.4
67.05489	4.7
70.02385	1.6
70.02707	3.9
77.03927	2.4
79.05483	7.0
81.03416	6.3
81.07051	5.1
83.04987	2.8
83.08598	1.5
85.02895	3.1
89.03913	6.2
91.05466	6.9
93.07047	3.5
95.04944	7.7
95.08612	1.9
104.84602	1.5
105.03371	2.9
105.07010	3.6
107.04948	5.6
109.10145	2.1
111.04449	2.9
116.24583	1.5
117.03378	10.1
119.08581	1.5
121.10141	1.9
121.59956	1.5
123.04418	100.0
124.04743	1.8
129.07010	1.7
133.02841	15.6
134.03650	2.1
135.04410	29.1
135.11661	1.8
137.02354	5.7
139.03905	4.5
145.02838	9.6
147.04398	4.4
151.03900	9.8
159.04361	2.6
160.05200	7.3
163.03886	66.9
164.04207	2.4
165.07008	2.4
175.03964	2.6
181.04936	4.7
181.06465	1.6
182.33498	1.4
191.03374	77.8
192.03712	1.8
193.12331	2.1
193.36377	1.6
197.05884	1.9
204.04143	2.6
205.06531	2.9
211.07619	2.4
211.13277	2.9
221.06018	5.2
223.07552	4.4
227.12805	1.7
239.06931	4.5
241.10486	3.2
249.05481	5.2
250.06209	2.4
251.07072	4.6
255.06500	2.9
267.06540	8.8
268.07285	18.6
269.08041	5.5
278.05698	2.1
285.07541	10.1
291.06543	2.1
295.05899	13.6
313.07004	78.4
314.07523	5.3
319.05905	3.1
321.07495	3.3
347.05435	5.5
365.06876	2.2
429.09912	3.4
449.21863	2.4
457.09082	3.2
475.10150	2.2
493.11264	41.9
493.20471	4.5
493.26840	7.9
494.11563	1.7
519.15552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.113
Annotation	Isosalvianolic acid C
Peak:m/z	Relative Intensity
77.03928	3.1
79.05484	2.9
89.03904	5.8
91.05496	2.1
95.04965	5.7
100.48708	2.2
104.75129	2.0
105.03378	2.2
107.04947	6.0
111.04381	3.0
117.03344	3.7
123.04428	100.0
131.04945	2.9
133.02835	3.2
134.03604	3.3
135.04419	30.2
137.02309	9.8
139.03928	3.7
141.98511	2.0
145.02806	5.5
147.04439	10.1
151.03944	2.3
160.05186	15.7
161.05960	3.6
161.45630	2.3
163.03902	66.0
165.06966	2.5
167.82076	2.0
169.06567	2.5
170.87440	2.1
175.03870	5.5
179.03345	2.6
191.03375	60.8
197.05914	4.3
204.04152	3.2
205.06528	3.0
209.39929	1.9
211.07536	2.7
221.05998	8.6
223.07567	4.2
237.05312	2.3
239.06996	6.3
242.05760	2.3
249.05457	7.4
250.06226	5.7
251.06996	4.3
253.04953	2.4
255.06494	7.3
265.05075	2.9
266.06104	1.9
267.06512	13.0
268.07242	24.6
269.07916	6.7
279.06485	3.6
285.07559	31.4
295.05997	20.2
296.06647	3.3
313.07013	49.9
314.07425	3.8
319.05960	6.1
321.07538	6.0
331.08215	4.3
337.07013	2.7
347.05426	7.2
358.99106	1.8
365.06729	4.3
371.07748	2.6
429.09665	7.8
447.10739	2.6
457.09525	4.3
475.09787	3.4
493.03934	3.5
493.11224	60.8
494.11371	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	493.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.0
65.03925	0.7
66.15778	0.3
67.05486	1.1
70.67239	0.3
73.57394	0.3
77.03925	1.5
78.04698	0.7
79.05474	2.0
81.03421	0.7
89.03900	6.1
91.05460	1.4
95.04949	2.7
105.03384	2.0
105.04480	0.8
105.06980	0.4
106.04136	0.5
107.04933	3.0
109.02853	1.3
117.03371	4.0
123.04414	98.6
124.04758	1.6
133.02844	0.7
134.03615	6.2
135.04398	26.8
137.02330	2.8
137.03358	0.6
137.09633	0.3
137.83583	0.3
140.59785	0.4
145.02838	2.5
147.04388	4.3
149.02328	1.2
160.05164	0.4
163.03880	100.0
164.04216	2.2
165.06989	0.9
165.09100	2.5
167.08540	0.4
169.06491	0.8
176.04637	1.2
177.05518	1.5
191.03366	29.1
192.03679	0.4
193.06529	0.5
195.08026	0.4
197.05971	1.4
204.04228	1.7
205.04837	0.6
205.06529	0.5
209.04424	2.8
211.07597	0.7
215.07039	0.7
221.05891	1.6
223.07651	0.6
233.06128	0.4
237.05396	0.4
239.07039	2.1
243.06755	0.4
249.05484	1.2
250.06180	0.5
251.06996	0.7
255.06329	0.5
256.07330	0.5
257.08182	0.6
267.06488	3.6
268.07300	1.9
269.08069	0.9
271.05951	4.0
278.05923	0.4
279.06573	0.7
285.07535	74.5
286.07886	2.4
295.05978	1.5
296.06573	0.4
297.07590	0.8
313.07022	14.4
314.07803	0.4
319.72598	0.3
331.08087	6.0
337.07138	0.4
371.07593	1.4
401.10074	0.6
447.10764	0.8
493.11240	68.8
494.11606	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	493.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25463	1.6
69.25851	1.6
98.23466	1.0
105.07051	1.0
106.50543	0.7
163.03867	1.1
171.00529	2.8
201.62358	0.6
216.91481	0.7
227.05234	1.7
245.07829	100.0
246.08141	2.7
271.04221	21.9
285.07712	0.7
299.33496	0.7
309.47986	0.7
449.13467	6.4
493.13107	22.4
494.13623	1.6
508.69162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84221	0.5
64.44711	0.4
69.27997	0.6
69.28255	2.4
81.07026	0.5
105.06936	0.5
119.08578	0.5
123.04404	1.3
135.04391	0.7
143.30792	0.4
163.03883	1.6
167.03127	0.9
171.00513	3.3
185.04088	0.5
189.01564	0.8
191.03329	0.5
213.73344	0.5
224.09900	0.5
227.05243	1.3
245.07829	100.0
246.08188	2.8
249.05464	0.7
267.06473	1.1
271.04208	23.3
279.26294	0.5
285.07410	0.5
295.05981	1.7
365.67297	0.5
443.35287	0.5
449.14108	7.5
450.14401	0.7
493.13132	34.3
493.19827	1.5
494.13351	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31069	1.1
53.03936	5.4
55.01867	4.9
55.05492	1.2
57.03418	4.0
58.95876	1.1
61.02917	3.2
65.03921	4.3
67.05502	2.1
68.99791	2.2
69.03428	13.8
69.07027	1.3
70.49297	1.4
70.49661	2.8
71.04983	2.9
73.02896	5.5
79.05506	2.7
81.03410	15.8
81.07066	2.0
85.02901	32.0
87.00826	14.1
89.03900	3.4
91.05475	100.0
95.04964	2.7
97.02887	34.1
99.04464	8.3
105.01853	10.4
105.04498	1.2
107.04995	1.4
109.02866	13.1
117.01836	1.8
117.03306	1.5
123.04421	39.8
124.04723	1.4
127.03902	25.5
129.01833	2.5
133.02858	2.2
134.03568	1.5
135.04390	13.0
137.02301	3.4
139.03915	2.0
145.02859	2.3
145.04951	13.3
147.02856	1.5
147.04408	2.7
152.33125	1.2
159.02878	7.6
160.05119	2.7
163.03893	34.5
175.03894	1.7
181.04968	2.4
191.03371	22.1
211.07584	1.7
221.06007	1.9
223.07520	1.5
231.04990	2.3
234.06708	1.2
239.07112	2.0
255.06546	2.2
267.06442	3.8
268.07388	4.3
269.08072	2.0
285.07550	15.9
291.06406	1.5
295.06085	6.4
313.07050	18.9
314.07288	1.6
319.05768	2.1
331.08115	1.7
371.07248	1.3
429.09985	1.7
493.04022	1.5
493.11209	25.5
493.20465	2.2
493.27203	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	1.2
58.06569	0.5
66.92844	0.2
69.03389	0.3
69.07021	0.2
69.27019	1.2
79.05447	0.5
81.03356	0.2
81.07014	0.5
83.08593	0.5
85.02826	0.9
85.03290	0.2
88.22894	0.2
91.05419	0.5
95.04925	0.3
95.08527	0.3
98.22702	0.6
100.07560	0.4
100.11243	2.3
105.06947	1.1
107.04893	0.3
109.10121	0.3
111.04388	0.6
119.08521	0.5
123.04453	1.5
126.09083	0.3
127.03825	0.4
128.07043	0.5
131.04852	0.4
135.04402	0.5
140.06956	0.3
140.10696	1.5
142.03098	0.3
145.02802	0.3
163.03891	3.3
168.10110	0.8
173.09598	0.3
175.07457	0.9
182.15388	2.8
185.04321	0.3
191.03267	0.8
193.08516	0.3
201.09172	0.3
203.07008	2.3
205.12114	0.5
209.16397	0.5
210.14818	1.8
213.12659	0.3
216.96603	0.2
217.12140	0.3
227.05199	0.6
229.12202	0.8
231.13751	0.3
245.08031	1.9
245.11610	10.2
245.14159	0.6
246.12013	0.3
271.04248	0.9
273.11053	1.5
284.23157	1.0
285.07538	1.1
295.06140	0.3
313.06995	0.4
326.27927	1.1
345.11838	0.3
373.15924	0.4
389.15601	0.5
394.26709	0.3
407.16721	10.1
408.17020	0.6
414.71518	0.3
431.16824	0.5
436.31732	0.7
449.17795	47.6
450.18246	2.5
490.63776	0.3
493.16785	100.0
494.17191	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	493.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	3.4
52.82841	2.9
55.07876	2.8
67.05505	6.6
70.33729	7.3
72.06666	3.0
72.90011	2.7
79.05499	3.8
81.03412	3.3
81.07024	3.0
89.03933	2.9
91.05496	9.0
92.47128	3.0
93.07029	7.3
95.04977	5.3
95.08643	4.5
98.22792	4.0
99.95949	3.2
105.07047	5.8
107.08610	5.9
119.08598	3.8
123.04417	56.7
127.03905	3.2
133.10156	3.8
134.03659	4.0
135.04425	14.1
141.05225	12.7
141.97992	2.9
145.02902	3.8
146.08435	3.0
158.10509	3.4
163.03897	45.8
169.49504	2.9
189.85159	3.1
191.03423	17.6
227.06818	24.8
241.10460	91.8
242.10773	37.2
243.10980	29.7
273.14417	4.5
275.15982	13.0
285.07578	38.5
305.11493	100.0
306.11862	6.5
313.06906	17.5
331.18683	7.6
481.82330	3.3
493.11423	37.1
493.21808	77.2
493.27576	77.2
494.11902	5.1
494.22009	4.6
494.28543	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	493.2561
Annotation	5,5'-Dimethoxy-alloagerasanin
Peak:m/z	Relative Intensity
50.59119	0.9
61.42599	0.8
69.30982	2.1
69.31389	3.4
91.05481	1.4
100.50831	0.8
107.08571	1.0
146.76439	0.8
147.04417	1.5
148.04764	1.2
245.06201	1.0
250.17821	1.2
257.07843	30.9
258.08548	0.9
275.14111	2.8
289.05295	13.0
331.49759	1.0
377.47028	1.0
475.22949	1.3
493.25519	100.0
494.25827	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	493.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14380	0.9
55.72649	1.0
62.98256	5.8
67.05490	1.0
71.44260	1.0
72.38583	0.9
94.72336	0.8
105.07057	1.1
124.93756	29.7
137.05963	1.5
142.94858	1.2
143.08603	1.3
145.10118	1.3
156.95055	2.2
156.96358	47.5
159.08022	2.3
161.05974	1.8
171.07994	1.5
173.09581	2.1
175.07558	3.6
177.05467	1.6
183.08138	0.9
187.07561	2.4
189.05440	1.5
191.10637	1.3
198.97472	1.5
199.07553	2.7
201.09123	1.2
203.07043	1.6
203.10730	2.1
205.12239	2.6
211.11180	1.2
212.98944	5.1
213.12778	2.2
214.09882	1.6
215.10660	1.1
219.10153	3.3
227.07143	1.6
227.10719	1.2
229.12196	18.5
233.11740	1.1
243.13843	1.1
245.08112	3.2
245.11700	1.0
255.13777	5.8
259.13461	1.7
283.13309	6.5
284.13962	1.0
301.14328	2.2
317.17297	1.0
319.16577	1.9
325.21228	1.5
339.17270	0.9
345.11328	1.9
383.16467	3.3
401.17270	4.6
429.24213	2.2
439.22623	1.9
447.25281	3.2
457.23682	3.6
461.20267	12.9
475.24426	3.6
493.22955	100.0
494.22992	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	493.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	3.0
71.44070	3.6
73.22565	2.5
76.71478	2.7
80.49389	2.9
85.65099	2.7
91.05460	4.9
93.07062	3.9
105.07027	4.3
126.39411	2.9
137.05959	6.9
143.08531	6.0
145.06464	5.7
145.10172	4.8
149.05876	4.0
155.08516	4.8
159.03224	3.0
159.08060	11.4
161.05994	9.4
161.75671	2.7
163.07538	4.1
164.39421	2.8
169.10233	4.1
171.08060	6.7
172.15451	2.7
173.05933	3.2
173.09601	7.3
175.07524	26.6
177.05424	6.6
187.07529	12.8
189.05489	7.8
191.10640	4.4
193.12161	5.9
198.10390	3.7
199.07625	9.3
201.09029	3.6
201.12743	4.8
203.06985	7.3
203.10666	4.0
205.12228	12.4
211.11157	6.2
213.12729	12.6
214.09906	11.8
215.10678	4.4
217.12262	4.5
219.10184	17.3
227.06987	7.2
229.12215	100.0
230.12589	4.2
231.13722	4.0
233.11717	5.3
237.12854	4.1
239.14331	3.6
243.10005	3.7
243.13760	5.4
245.08096	16.7
245.11620	7.9
255.13737	34.3
259.13403	3.5
265.12375	4.0
266.12939	3.7
269.11694	4.0
283.13242	24.1
284.13931	4.7
301.14368	12.0
335.16214	5.0
345.11191	4.2
345.18521	3.8
383.16425	11.8
391.18869	4.2
401.17511	16.3
429.24246	4.6
439.22690	6.9
447.25082	18.9
457.23642	14.5
475.24695	14.1
493.25320	5.4
493.32773	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2793
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.61206	1.2
53.03938	6.0
55.01866	13.9
55.05507	41.5
57.03433	15.9
59.04993	5.2
65.03934	3.3
66.42335	1.4
66.90752	1.2
67.05498	47.1
69.03411	7.2
69.07065	12.3
69.14642	8.4
71.01355	2.9
71.04982	13.1
77.03913	2.1
79.05040	3.0
79.05486	56.0
81.03410	77.8
81.07048	51.0
83.01331	11.7
83.04973	27.5
83.08614	34.5
85.02894	41.5
85.06557	2.3
86.56511	1.5
91.05472	57.4
93.07032	53.4
93.07604	3.0
95.04958	46.6
95.08596	20.3
97.02887	5.2
97.06512	9.4
97.10167	9.0
98.23454	2.3
99.04456	3.8
103.05473	3.1
105.04521	4.4
105.07017	40.3
107.04948	18.6
107.08575	23.2
109.06507	15.0
109.10133	7.5
111.04456	8.5
111.08062	16.0
113.05976	1.9
115.05473	3.2
117.07010	13.3
119.08574	29.3
121.06504	6.0
121.10124	20.3
123.04424	8.5
123.08051	14.0
123.11707	2.5
123.14128	1.7
125.05968	2.9
125.09623	2.1
129.06998	12.1
130.07767	1.9
131.04884	1.4
131.08559	15.1
133.06528	2.9
133.10117	13.0
133.29546	1.3
135.04393	5.0
135.08041	3.5
135.11668	15.9
137.09618	3.4
137.70752	1.4
142.07800	2.0
143.08537	2.4
145.10104	19.2
147.08055	7.0
147.11676	19.8
149.09616	8.6
153.12766	4.8
155.08595	2.4
157.10135	16.2
163.03902	10.7
163.11172	35.5
163.12251	1.4
164.11581	1.8
165.12679	3.3
173.09673	5.9
175.11171	15.3
181.12195	7.4
191.03355	2.7
191.10683	4.1
193.12227	76.4
209.11670	12.3
211.13271	78.6
212.13602	1.6
227.12819	6.0
249.14941	2.3
267.15903	3.9
268.07138	1.9
274.16876	1.5
283.15448	3.3
285.07599	4.0
285.16846	1.5
313.06805	1.4
361.62985	1.5
365.21368	2.0
378.59201	1.5
383.22064	2.6
401.23096	2.5
475.26379	2.5
478.88452	1.7
493.11261	5.9
493.27899	100.0
494.28271	4.8
498.21387	1.5
498.46832	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.05503	40.3
57.07063	0.7
65.03928	0.7
67.05496	4.3
69.07072	2.2
69.19746	2.1
69.20151	1.5
71.04979	1.2
79.05477	6.7
81.07041	13.6
83.04968	99.1
83.08616	0.7
84.05302	0.9
85.06530	6.0
91.05462	15.7
93.07029	13.0
95.04969	4.2
95.08593	12.1
97.06504	3.8
98.23455	1.6
101.06004	1.5
103.05468	1.1
105.07014	32.0
107.08582	8.6
109.06511	5.0
115.05397	3.9
116.06213	1.3
117.07005	20.7
117.07813	1.4
119.04868	1.0
119.08568	17.0
120.08849	0.8
121.06495	3.6
121.10120	1.9
123.08057	2.4
128.06224	3.3
129.06981	19.9
130.07730	2.8
131.08553	34.1
132.09354	1.5
133.06450	1.0
133.10109	10.7
135.08018	2.6
139.07547	1.0
141.06946	5.5
142.07756	19.9
143.08540	11.9
144.09308	1.6
145.06435	0.8
145.10103	35.7
146.10419	1.4
147.08063	2.4
147.11653	12.0
149.09575	1.1
153.07011	1.4
154.07756	1.5
155.08528	21.9
156.09320	4.5
157.10103	81.7
158.10820	4.3
159.08080	4.1
159.11668	37.0
160.12082	1.4
163.11188	0.9
163.14775	0.8
167.08521	3.8
168.09297	1.9
169.10092	12.6
171.11649	8.0
172.12439	1.2
173.09593	7.3
173.13210	7.3
175.11157	31.3
176.11389	0.7
177.12718	0.9
182.10884	9.7
183.10139	8.8
185.13313	3.8
187.11285	1.8
187.14789	33.8
188.15034	1.1
189.12692	0.8
191.14264	4.5
197.13219	35.5
198.13585	1.6
203.14259	1.9
205.15875	2.5
215.14276	100.0
216.14581	3.2
233.15327	31.4
251.16447	0.9
275.16354	2.9
293.17340	2.8
467.53387	0.7
477.01651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.4
60.47840	0.3
62.97777	0.3
63.02366	0.6
69.18023	0.7
69.18424	1.5
79.05486	1.8
79.05888	0.3
89.03385	0.5
89.03906	8.9
90.04229	0.4
93.11307	0.4
96.04363	0.3
107.04959	1.8
117.02570	0.6
117.03362	9.3
130.06627	0.3
135.04398	16.1
142.06541	0.8
145.02834	12.8
146.05949	2.1
158.05952	0.7
160.07550	1.1
163.03885	100.0
164.04239	2.2
170.06003	1.7
171.06752	0.4
172.07574	1.0
174.05508	7.6
184.03967	1.3
186.05496	1.3
198.05498	1.7
199.06224	0.7
200.07008	3.7
201.04074	0.8
202.05000	0.4
210.05551	0.5
212.07079	0.7
214.04959	4.6
214.08600	0.5
215.05730	4.1
216.06499	1.6
225.04202	1.9
226.04930	1.4
227.05759	4.8
228.06516	20.3
229.03661	4.0
229.07246	1.8
230.08119	2.0
240.06438	0.7
242.04462	6.3
242.08083	2.6
243.05244	8.8
244.06017	1.9
248.28770	0.3
253.03687	4.1
254.04451	14.1
255.05222	3.8
256.06006	1.7
257.03149	3.9
257.06830	4.6
258.07596	30.4
259.08002	0.7
268.05939	5.5
269.06442	0.7
270.07605	4.9
272.05499	20.6
273.05869	0.5
281.03195	3.8
282.03903	4.3
284.05542	0.8
286.07068	47.3
287.07428	1.7
296.05533	6.4
299.04175	1.0
300.04919	0.5
314.06558	22.8
315.06931	1.1
321.09299	0.4
332.07599	46.8
333.07971	1.6
494.10788	26.5
495.11044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40186	3.1
68.61131	3.4
69.03419	6.2
71.43548	3.7
71.84105	3.6
81.03415	6.0
82.17949	3.2
84.08131	5.0
85.02912	4.9
89.03903	4.4
97.02884	6.2
111.86516	3.3
117.03384	6.4
122.07170	4.6
132.26891	3.5
135.04424	19.6
136.06165	7.9
139.03877	4.1
145.02806	10.8
150.81366	3.2
151.03906	7.2
163.03897	100.0
164.04279	3.8
165.05411	4.2
181.04901	5.9
225.34055	3.2
256.08322	21.2
257.09030	5.1
286.09323	58.1
325.09229	7.4
332.09857	51.9
494.12424	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	494.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66239	3.9
54.36955	4.7
62.81702	4.0
71.18691	5.0
79.05490	13.3
91.05475	11.7
93.07034	4.7
95.04933	6.3
105.07008	6.3
107.04960	32.9
121.06500	12.7
123.04443	8.4
123.51639	3.9
128.06238	4.5
129.06973	29.4
131.04922	11.7
131.08575	12.2
133.06456	7.2
135.04408	9.1
135.08006	5.9
137.05969	18.4
145.40321	4.1
149.05913	8.3
151.07521	5.8
153.05431	9.1
157.06483	24.2
161.05980	29.2
161.09584	12.7
163.03868	6.9
163.07474	5.9
163.43410	4.4
165.07024	5.7
167.07033	56.3
167.08440	5.0
174.06729	14.4
175.07509	8.5
181.04854	5.0
181.06386	4.0
181.08568	37.4
183.22272	4.3
187.07587	6.5
189.09077	100.0
191.06961	5.8
191.10597	5.6
194.07123	5.8
195.08054	14.9
205.06573	4.8
212.08177	8.5
219.08028	7.2
219.10118	4.8
221.05904	6.7
222.06406	7.7
223.07520	14.9
235.07556	4.4
237.09081	4.7
240.07648	8.2
247.07590	4.4
251.07106	17.2
251.10634	12.8
253.08618	5.1
255.10228	13.5
268.07327	7.2
279.09879	4.7
283.09641	11.9
283.13254	16.3
286.07242	5.0
293.10123	29.7
296.06329	5.4
297.11017	6.1
302.11615	5.7
311.12689	9.1
315.12265	25.1
327.12418	4.2
343.15381	39.7
361.16464	5.8
411.14264	14.4
429.15347	12.0
447.16483	84.9
448.17157	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	494.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
57.03430	0.7
58.90578	0.5
59.05004	0.7
61.02917	0.9
67.05493	0.7
69.03419	2.3
69.38850	1.5
69.39258	0.9
79.05473	0.5
80.91058	0.5
81.03410	1.1
81.07040	0.9
85.02895	6.9
89.03949	0.7
94.90957	0.5
97.02875	2.4
98.22754	0.7
99.04454	0.8
105.01797	0.5
105.07044	0.5
107.04971	0.9
107.08535	0.5
109.02803	0.7
112.46384	0.4
115.05473	1.7
117.03353	1.3
123.04418	0.7
127.03899	1.4
135.04431	3.1
137.05916	0.5
137.09673	0.6
141.06956	3.4
142.99455	0.4
143.04886	1.0
145.02777	2.5
145.04935	0.9
147.04408	0.7
152.06262	1.0
153.07004	3.8
155.08511	2.6
161.05974	3.4
163.03894	16.1
164.04237	0.8
165.06969	5.6
166.07748	2.4
167.08542	10.8
169.06473	5.0
170.07152	0.5
178.07748	1.4
179.08551	8.9
180.09409	2.9
181.10077	3.4
191.08485	1.5
192.09308	10.8
193.10020	1.8
194.10895	3.7
195.08046	4.0
197.05956	34.3
198.06340	1.4
199.07539	0.7
202.07718	2.9
205.04895	2.7
205.06546	0.9
207.08156	2.4
207.11659	5.7
209.13219	6.3
217.10130	2.6
219.08044	2.2
220.08827	4.6
235.11157	34.0
236.11461	0.9
247.13289	0.8
251.10719	0.9
279.10147	1.7
297.11191	100.0
298.11465	3.9
315.08505	1.3
315.12177	3.3
338.13858	0.4
366.51208	0.5
469.13031	0.5
482.80807	0.4
494.20313	0.7
495.17566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.3
57.03441	12.3
57.53236	3.6
60.00887	3.5
69.03424	18.3
70.48608	10.0
73.06544	13.6
81.03402	8.0
81.04309	4.1
83.04961	13.3
85.02891	41.7
91.03931	3.8
97.02883	41.4
99.04413	4.4
101.06007	100.0
109.02880	8.3
119.07035	32.8
127.03930	31.4
134.06012	9.9
136.52504	4.0
137.05984	5.9
145.04915	27.4
147.04387	10.7
151.03830	8.2
152.07120	5.1
163.03867	7.4
181.04944	5.4
201.12512	3.7
227.09370	4.6
245.10146	7.5
259.08524	4.2
263.11298	10.4
326.76602	4.1
377.22427	4.2
438.08026	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	494.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
57.03421	6.2
57.03712	1.7
65.03947	2.3
67.05507	1.6
69.03416	16.7
69.50941	4.0
69.51328	4.2
71.01331	2.2
71.04989	32.2
73.02903	4.1
75.04474	4.1
79.05478	5.0
80.04979	2.5
81.03401	6.1
81.05802	2.9
83.04975	5.3
85.02895	56.6
87.04463	2.3
89.03912	5.8
91.05486	5.4
92.05002	6.2
95.04962	5.0
96.08116	5.7
97.02917	3.1
98.23477	3.3
105.07047	1.9
106.06539	44.5
107.04964	3.8
108.08094	13.8
111.04434	5.8
117.03371	7.6
118.25425	1.8
119.04922	4.5
121.06480	4.0
123.06765	6.4
124.07578	27.0
127.03876	3.7
129.05460	20.2
134.06004	25.3
135.04384	18.1
136.07581	3.8
145.02841	13.1
147.06523	13.4
151.03976	2.8
151.07544	29.4
152.05785	3.0
152.07047	78.8
163.03891	100.0
164.04251	4.4
165.09134	5.8
169.08623	2.3
170.08110	56.2
175.07700	2.9
181.04958	2.2
181.08549	9.1
183.11237	1.8
193.08589	6.8
199.07619	2.5
235.09756	3.4
261.11163	8.0
268.09735	3.3
279.12131	2.6
296.09171	3.3
307.08231	3.5
309.11758	2.4
332.13409	8.8
458.90973	2.4
476.15546	18.1
477.15921	2.5
494.09915	3.6
494.16553	41.6
495.16510	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.7
55.05496	8.6
57.96453	5.6
61.80259	5.5
67.05476	6.2
69.03419	16.2
69.07059	10.9
71.41093	6.4
79.05489	8.8
80.23852	4.7
81.03400	34.1
81.07029	11.1
82.03758	10.9
83.30721	5.4
85.02893	43.3
86.03204	5.2
87.00826	25.8
89.03856	5.9
91.05462	10.6
93.07043	10.6
95.08588	11.5
97.02883	24.1
99.08128	7.7
105.01866	38.0
105.07009	16.6
107.08587	14.2
109.02858	55.2
109.06539	8.5
109.10148	42.5
110.03200	17.0
110.06041	9.6
119.08553	24.0
121.10117	23.8
123.04454	7.1
123.08070	12.5
123.11620	10.5
127.03902	52.3
128.04222	5.9
133.10080	35.9
135.11665	39.6
137.09595	20.4
137.13226	7.2
138.05482	100.0
145.02782	8.7
145.04974	11.3
147.11661	7.2
149.13205	7.6
156.06541	42.7
170.08228	7.2
172.20509	5.7
175.11078	6.0
175.14819	42.3
187.05988	6.9
193.12289	5.8
193.15891	44.5
211.13394	10.3
211.16925	15.9
229.40099	5.9
231.05049	8.4
281.71051	6.4
495.14407	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	4.4
69.03448	4.0
69.07053	2.9
69.17499	8.9
69.17901	6.3
72.91837	2.2
79.05466	5.9
81.03410	4.2
81.07056	5.1
83.04971	3.3
85.02890	8.5
87.00819	2.7
89.03916	14.1
91.05474	7.7
93.07023	15.0
95.04968	5.7
95.08599	3.0
97.02889	4.2
98.22705	5.0
99.08078	32.3
103.05461	6.4
105.01877	4.4
105.04486	2.3
105.07033	3.2
107.04955	5.1
107.08577	8.3
109.02874	4.8
109.06543	3.1
109.10155	9.0
111.04404	3.8
117.03363	12.6
119.08551	4.7
121.06496	48.9
121.10151	6.3
123.08104	2.5
126.05534	4.6
127.03918	7.5
131.06184	2.4
133.10110	24.6
135.04390	28.0
135.11685	15.8
137.09628	5.7
138.05501	3.3
139.03894	6.4
145.02847	16.5
147.04410	3.5
148.03949	3.3
152.07098	3.7
154.04985	6.9
163.03894	100.0
170.08220	2.9
175.14809	8.1
179.31648	2.3
180.06537	3.1
193.15874	47.9
194.04405	2.9
211.17014	5.8
221.05820	3.0
222.06314	3.5
223.07530	6.4
226.07179	6.3
229.12233	5.5
251.07066	8.2
267.06570	3.3
269.08307	5.1
270.04770	2.4
291.13815	2.2
295.05936	3.4
296.06183	11.1
322.41745	2.2
332.11240	44.3
355.55017	2.4
383.86771	2.5
494.10968	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	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
54.73009	2.4
55.05510	8.4
57.07069	3.2
57.22385	2.6
57.49356	2.6
60.90763	2.3
61.02893	2.5
66.04264	2.6
66.27281	2.6
67.05510	14.4
69.03420	12.9
69.07063	7.2
71.04979	4.2
71.43769	3.6
79.05501	6.1
81.03416	11.4
81.07053	9.9
83.04964	6.6
85.02912	29.6
85.06534	6.5
87.00834	10.1
89.03925	4.9
91.05473	9.9
93.07047	11.3
95.08604	37.7
97.02872	10.0
99.04456	8.3
99.08101	5.7
105.01849	13.7
105.07022	6.2
107.04957	5.8
107.08582	7.4
109.02865	9.6
109.10140	27.1
111.08038	3.0
115.05486	4.5
115.07537	3.0
117.03368	4.1
119.08572	9.8
121.10155	3.9
123.04420	3.3
123.11715	4.0
127.03908	19.6
131.69064	2.5
133.10080	7.7
135.04407	16.4
135.11697	14.6
137.06012	4.0
137.09637	9.7
139.03876	2.8
143.04903	4.2
145.02853	6.6
145.04964	8.8
147.04414	3.2
147.11674	4.1
149.13274	6.4
159.02902	3.4
161.05989	9.3
163.03897	65.4
163.14827	8.2
165.16428	3.9
166.08604	3.2
175.14783	16.3
177.05417	3.5
181.15784	4.5
193.15863	31.6
195.17555	3.3
197.05968	2.7
205.04921	3.6
211.11330	4.0
211.16920	100.0
223.07556	11.0
225.10291	2.8
229.17876	3.2
231.05081	6.4
247.13039	2.9
249.06145	2.9
250.05879	4.4
251.06995	9.4
252.86168	2.4
258.08591	2.9
261.83582	2.7
267.06543	4.5
267.11334	3.2
286.41498	2.7
295.05838	4.1
296.06461	5.3
297.11142	6.6
313.11856	7.4
315.08716	3.5
329.11322	3.5
341.11218	5.2
448.10880	3.1
451.18994	2.9
459.22470	4.4
494.18762	11.9
495.18439	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	16.6
69.03436	9.5
81.03438	7.9
81.07061	14.4
83.08604	6.6
83.54256	5.7
85.02885	15.3
91.05501	6.4
93.07034	8.6
95.08626	36.6
107.08601	11.0
108.07941	7.3
109.10157	25.1
111.04466	7.7
119.08566	10.2
121.10113	8.7
126.55783	6.3
133.10092	8.8
135.04404	9.3
135.11722	11.7
137.06030	11.3
137.09616	14.0
142.70607	6.3
162.04318	6.8
163.03885	18.4
175.14825	27.7
181.05019	10.0
193.15891	28.9
197.05954	6.8
211.16940	100.0
222.06305	8.5
223.07550	10.7
229.18004	20.1
251.07094	15.9
269.08121	11.6
295.06119	9.0
296.06375	18.2
494.11472	13.6
495.17209	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	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
54.73009	2.4
55.05510	8.4
57.07069	3.2
57.22385	2.6
57.49356	2.6
60.90763	2.3
61.02893	2.5
66.04264	2.6
66.27281	2.6
67.05510	14.4
69.03420	12.9
69.07063	7.2
71.04979	4.2
71.43769	3.6
79.05501	6.1
81.03416	11.4
81.07053	9.9
83.04964	6.6
85.02912	29.6
85.06534	6.5
87.00834	10.1
89.03925	4.9
91.05473	9.9
93.07047	11.3
95.08604	37.7
97.02872	10.0
99.04456	8.3
99.08101	5.7
105.01849	13.7
105.07022	6.2
107.04957	5.8
107.08582	7.4
109.02865	9.6
109.10140	27.1
111.08038	3.0
115.05486	4.5
115.07537	3.0
117.03368	4.1
119.08572	9.8
121.10155	3.9
123.04420	3.3
123.11715	4.0
127.03908	19.6
131.69064	2.5
133.10080	7.7
135.04407	16.4
135.11697	14.6
137.06012	4.0
137.09637	9.7
139.03876	2.8
143.04903	4.2
145.02853	6.6
145.04964	8.8
147.04414	3.2
147.11674	4.1
149.13274	6.4
159.02902	3.4
161.05989	9.3
163.03897	65.4
163.14827	8.2
165.16428	3.9
166.08604	3.2
175.14783	16.3
177.05417	3.5
181.15784	4.5
193.15863	31.6
195.17555	3.3
197.05968	2.7
205.04921	3.6
211.11330	4.0
211.16920	100.0
223.07556	11.0
225.10291	2.8
229.17876	3.2
231.05081	6.4
247.13039	2.9
249.06145	2.9
250.05879	4.4
251.06995	9.4
252.86168	2.4
258.08591	2.9
261.83582	2.7
267.06543	4.5
267.11334	3.2
286.41498	2.7
295.05838	4.1
296.06461	5.3
297.11142	6.6
313.11856	7.4
315.08716	3.5
329.11322	3.5
341.11218	5.2
448.10880	3.1
451.18994	2.9
459.22470	4.4
494.18762	11.9
495.18439	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
54.73009	2.4
55.05510	8.4
57.07069	3.2
57.22385	2.6
57.49356	2.6
60.90763	2.3
61.02893	2.5
66.04264	2.6
66.27281	2.6
67.05510	14.4
69.03420	12.9
69.07063	7.2
71.04979	4.2
71.43769	3.6
79.05501	6.1
81.03416	11.4
81.07053	9.9
83.04964	6.6
85.02912	29.6
85.06534	6.5
87.00834	10.1
89.03925	4.9
91.05473	9.9
93.07047	11.3
95.08604	37.7
97.02872	10.0
99.04456	8.3
99.08101	5.7
105.01849	13.7
105.07022	6.2
107.04957	5.8
107.08582	7.4
109.02865	9.6
109.10140	27.1
111.08038	3.0
115.05486	4.5
115.07537	3.0
117.03368	4.1
119.08572	9.8
121.10155	3.9
123.04420	3.3
123.11715	4.0
127.03908	19.6
131.69064	2.5
133.10080	7.7
135.04407	16.4
135.11697	14.6
137.06012	4.0
137.09637	9.7
139.03876	2.8
143.04903	4.2
145.02853	6.6
145.04964	8.8
147.04414	3.2
147.11674	4.1
149.13274	6.4
159.02902	3.4
161.05989	9.3
163.03897	65.4
163.14827	8.2
165.16428	3.9
166.08604	3.2
175.14783	16.3
177.05417	3.5
181.15784	4.5
193.15863	31.6
195.17555	3.3
197.05968	2.7
205.04921	3.6
211.11330	4.0
211.16920	100.0
223.07556	11.0
225.10291	2.8
229.17876	3.2
231.05081	6.4
247.13039	2.9
249.06145	2.9
250.05879	4.4
251.06995	9.4
252.86168	2.4
258.08591	2.9
261.83582	2.7
267.06543	4.5
267.11334	3.2
286.41498	2.7
295.05838	4.1
296.06461	5.3
297.11142	6.6
313.11856	7.4
315.08716	3.5
329.11322	3.5
341.11218	5.2
448.10880	3.1
451.18994	2.9
459.22470	4.4
494.18762	11.9
495.18439	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
53.80378	1.3
55.05502	2.9
57.03434	10.8
59.04984	1.5
65.03944	1.4
67.05485	2.2
69.03427	5.0
69.52425	3.6
69.52823	2.6
71.04987	83.4
73.02916	2.9
75.04477	2.9
79.05495	3.6
81.03429	2.0
81.07056	3.1
83.04978	8.9
85.02898	100.0
87.04462	3.8
91.05478	8.4
93.07047	3.5
95.04942	3.0
97.02885	4.4
98.22668	2.2
99.04467	2.2
103.03954	2.1
105.07027	31.7
106.85409	1.6
107.04952	2.2
107.08582	4.8
109.06522	3.9
111.03795	1.5
111.04404	7.6
117.06996	2.7
119.08576	1.9
121.10091	1.7
123.11697	5.1
124.03854	1.2
127.03929	4.1
129.05472	40.6
131.08557	4.0
133.10118	69.5
134.10486	4.3
135.11682	2.0
137.02342	1.3
137.05968	1.4
145.04974	3.3
145.06512	1.8
145.10133	2.2
147.06522	21.1
147.11687	1.9
149.09636	3.5
151.03821	2.5
151.11163	11.3
163.03815	1.5
164.09125	9.2
171.11525	1.3
175.11194	3.4
181.05005	1.7
209.02725	3.5
217.12305	1.8
231.69855	1.3
255.08699	2.4
261.14764	1.5
279.15900	9.8
297.16949	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	494.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70951	1.8
62.06086	3.1
69.27635	8.7
79.05489	2.4
86.00857	1.7
91.05465	4.3
94.27605	1.7
98.23532	3.0
103.05540	1.6
107.04955	4.3
121.06434	2.2
136.05197	4.2
137.05954	2.7
146.07303	2.0
148.05177	7.1
151.07526	100.0
161.06010	3.3
163.07512	6.3
164.71027	1.9
165.09090	5.8
166.06267	7.9
167.07037	3.0
168.36658	1.7
176.08301	2.7
177.09079	11.8
181.08582	73.6
182.09053	2.2
189.09035	3.6
191.10657	6.6
193.08597	2.2
194.02687	1.8
195.10178	2.9
202.09853	2.3
202.39076	1.7
203.10640	5.4
207.10138	3.9
209.13173	2.3
217.12206	6.2
247.13206	3.2
251.12991	2.6
292.14856	2.7
353.17279	3.0
354.18408	2.4
370.17697	15.0
375.15839	2.3
385.15369	3.0
385.20087	50.1
386.20633	3.9
392.02280	1.8
403.21164	25.2
494.27252	2.5
495.30859	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.1
57.07065	2.5
58.49743	1.3
59.00808	1.3
67.05508	2.1
69.07064	5.8
70.87660	1.8
79.05472	1.9
81.07037	1.5
83.04973	24.5
88.26418	1.4
91.05453	6.3
93.07051	1.6
95.08586	1.8
101.05981	2.3
103.05455	1.3
105.07024	14.8
107.08582	4.2
115.05435	7.0
116.68044	1.4
117.07004	4.2
119.08569	12.2
128.06194	34.7
129.07001	32.3
131.08553	8.0
133.10129	4.9
136.70905	1.2
141.06941	7.8
142.07764	28.8
143.08542	100.0
144.08922	1.6
145.06528	2.3
145.10135	8.6
147.11768	1.7
155.06047	4.5
155.08521	4.5
156.09338	4.7
157.10104	71.7
158.10561	2.1
159.11650	2.8
161.09616	4.3
161.13196	7.0
169.10130	2.6
170.10800	2.0
171.11642	3.1
171.79918	1.3
175.11177	2.0
184.12480	4.8
199.14798	91.3
200.15123	2.0
217.15878	5.3
259.17004	1.4
290.39941	1.4
494.96957	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37317	5.9
55.05517	14.4
57.07063	6.9
70.31834	10.3
70.32164	5.7
71.08630	6.3
74.49719	6.1
83.04969	18.5
91.05463	17.4
95.06590	6.0
105.07030	11.5
117.07013	11.3
128.06219	24.7
129.07028	13.5
131.08556	9.9
141.06934	6.6
142.07755	17.1
143.08549	100.0
157.10129	57.2
159.11740	7.5
161.09564	28.5
199.14758	49.9
217.15826	28.9
372.20987	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	494.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02980	5.3
55.05504	15.7
55.16320	5.9
67.05506	16.9
69.03418	7.9
79.05489	26.0
81.07050	59.4
83.04980	7.0
85.06530	10.3
88.07655	10.8
91.05463	31.8
93.07044	29.4
95.04964	65.8
95.08606	22.7
97.85925	6.7
102.09203	17.5
105.07026	100.0
107.08582	45.1
109.06506	47.7
109.10159	20.9
117.07001	14.1
119.08578	50.1
121.06522	10.4
121.10120	15.1
125.05963	9.9
127.07572	10.4
129.07011	13.0
131.08542	30.3
133.10141	31.8
142.07779	26.1
143.08556	12.6
145.10078	52.8
145.53812	6.2
147.08031	7.3
147.11661	64.8
149.02330	50.5
149.09653	6.6
155.08516	6.3
157.10129	56.4
159.11674	40.0
161.09621	27.3
161.13263	9.3
161.45824	6.2
173.09622	6.5
173.13275	13.2
175.11191	77.9
177.12877	7.3
177.16570	6.4
182.10811	6.9
184.07320	21.0
187.14784	34.9
189.12720	49.7
193.04964	43.1
193.12256	19.7
197.13251	15.5
215.14296	53.7
219.85495	5.8
233.15292	45.7
237.07591	25.0
284.29617	27.9
310.94162	6.2
494.34689	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13281	0.2
55.05491	0.5
56.05022	0.7
58.06350	0.4
58.06613	0.7
60.08160	5.5
65.25023	0.2
67.05504	0.5
69.07054	0.4
69.31013	1.1
70.06540	0.3
71.07362	2.7
79.05499	0.4
81.07044	1.2
86.09701	29.0
87.10033	0.3
87.84254	0.2
93.07042	0.6
95.04951	0.7
95.08604	0.5
98.22695	0.5
98.98447	2.9
104.10745	3.0
105.07011	1.2
107.08566	0.4
109.06495	0.5
109.10058	0.3
119.08571	0.5
121.06470	0.2
121.10197	0.3
124.99997	19.4
131.08566	0.3
133.10072	0.3
142.07838	0.4
145.10135	0.5
147.11650	0.8
149.02318	0.5
157.10130	0.3
159.11644	0.6
161.09612	0.4
175.11162	0.7
184.07329	100.0
185.07645	1.0
187.14769	0.4
189.12709	0.8
193.04977	0.3
216.49368	0.2
233.15367	0.3
311.25711	0.5
384.63007	0.2
476.31409	1.3
494.32370	1.4
495.34006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
54.31087	0.4
55.05507	2.0
56.05029	1.2
58.06604	1.6
59.07370	0.7
60.08157	17.5
64.05070	0.5
67.05161	0.5
67.05498	1.6
69.07059	3.0
70.06582	0.6
70.49563	0.8
71.07008	0.8
71.07365	6.9
72.73097	0.4
79.05497	0.5
81.07045	1.9
83.04951	0.6
83.08624	1.0
86.09697	50.7
91.05416	0.4
93.07074	0.8
95.08596	1.3
97.10177	1.1
98.98465	4.1
101.65284	0.5
102.07232	0.6
104.10734	94.3
105.11087	1.3
109.10126	0.4
121.10152	0.5
124.99992	26.9
135.11674	0.7
149.02321	1.3
163.01628	0.9
184.07324	100.0
185.07802	1.0
193.04984	1.1
237.07584	1.4
247.49622	0.4
258.10974	1.3
284.29449	0.8
311.25778	1.4
474.29324	0.6
476.31451	6.9
477.31799	0.9
494.32385	23.1
495.32678	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	7.2
58.06578	1.8
62.62617	0.5
64.47097	0.6
65.03934	2.1
66.14803	0.5
69.80827	1.3
69.81216	1.1
70.06584	18.9
71.08620	3.0
72.08169	0.7
74.06041	0.6
83.98100	0.6
85.10183	1.3
88.07623	22.7
102.09179	16.6
103.01843	0.7
121.02844	1.0
139.03963	1.6
149.02333	56.1
149.03430	5.0
150.02646	0.9
193.04939	54.0
194.05240	1.1
237.07552	66.3
238.07870	1.6
240.26947	0.9
253.57123	0.6
284.29440	49.7
285.29883	1.1
494.34711	100.0
495.35028	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	495.1286
Annotation	Salvianolic acid A
Peak:m/z	Relative Intensity
65.03934	2.3
69.92545	1.0
79.05491	0.8
89.03945	0.8
91.05465	1.9
93.03393	5.9
98.23354	0.9
101.81763	0.6
107.04939	3.3
111.03660	0.9
111.04430	15.2
111.43919	0.5
115.05451	3.2
119.04925	1.0
123.04395	0.6
124.41918	0.5
131.04933	1.5
135.04407	13.1
137.05992	0.6
139.03891	23.9
140.04274	0.8
143.04916	3.9
147.04456	0.9
152.06174	0.7
153.05458	6.0
159.04405	1.3
163.03912	4.1
167.08501	0.8
176.04807	0.8
176.06075	2.7
177.06935	3.1
181.04945	15.8
187.03899	15.5
188.04222	0.7
195.07977	0.9
205.06461	16.7
209.02559	0.9
223.07523	93.2
224.07832	4.0
233.05957	20.6
234.06598	1.3
236.01237	0.6
250.06056	0.9
251.07014	100.0
252.07323	4.1
268.06976	0.7
269.08069	55.9
270.08420	2.3
273.15790	0.6
297.07605	3.4
335.96283	0.5
391.30881	0.6
401.02020	0.5
411.47189	0.5
494.30319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31257	0.4
60.57578	0.5
62.36631	0.5
65.03924	2.6
69.37473	1.7
69.37890	1.0
79.05486	1.2
89.86555	0.5
91.05444	2.1
93.03402	4.8
98.22717	1.3
107.04961	3.9
111.01546	0.5
111.04441	16.6
115.05461	3.2
119.04903	0.8
123.04407	0.8
131.04895	1.6
135.04407	12.9
137.05945	0.8
139.03886	24.8
140.04214	1.1
143.04921	4.1
147.04362	1.1
152.06154	0.7
152.52765	0.5
153.05476	3.8
159.04439	0.9
163.03896	3.9
176.06177	2.6
177.06952	2.5
181.04944	14.1
187.03888	13.2
195.07980	0.8
205.06477	19.3
221.05968	0.8
222.06291	0.7
223.07523	100.0
224.07806	2.7
233.05966	18.6
234.06543	0.9
249.05481	0.6
250.05974	1.1
251.07019	94.0
252.07465	3.8
259.06137	0.6
267.06470	1.5
268.06888	1.7
269.08063	54.1
270.04993	0.7
270.08344	2.7
271.05023	0.9
295.02872	0.5
295.06015	1.6
296.06339	2.5
297.06842	3.7
449.11499	0.7
495.12030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1285
Annotation	Salvianolic acid A
Peak:m/z	Relative Intensity
56.00724	0.6
65.03947	3.0
70.54756	0.8
79.05482	1.0
89.03931	0.7
91.05475	2.7
93.03414	5.3
107.04954	4.0
111.04439	18.0
112.56065	0.5
115.05453	3.0
115.61200	0.5
119.04911	0.7
123.04414	0.6
129.71237	0.5
131.04936	1.5
135.04408	13.5
135.97392	0.5
137.05992	0.9
139.03894	28.1
141.82100	0.5
143.04907	4.1
147.04379	1.0
152.06178	0.6
153.05461	5.4
157.70813	0.5
159.04433	0.8
163.03917	3.9
165.07008	1.1
167.08633	0.6
176.06255	1.8
177.06982	3.1
181.04948	14.8
182.05353	0.9
187.03888	16.4
195.08130	1.4
205.06468	17.4
221.06142	0.7
222.06459	0.7
223.07524	100.0
224.07961	3.8
233.05960	20.6
234.06453	1.1
250.06017	1.0
251.07011	96.5
252.07378	3.5
267.06512	1.0
269.08069	53.6
270.04843	0.9
270.08340	2.0
271.05035	1.1
295.05942	1.5
296.06433	2.0
297.07047	4.5
434.55154	0.7
449.11380	1.2
469.01651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01244	0.4
57.74328	0.4
69.03419	0.7
69.34578	0.9
69.34940	2.2
71.04952	0.5
81.03416	0.6
85.02892	0.8
87.00805	0.4
87.06412	0.4
91.05518	0.5
104.12219	0.4
105.01857	0.7
111.04431	0.5
119.08624	0.5
127.03879	0.8
133.10114	0.6
137.80746	0.5
139.03876	1.0
143.58665	0.4
193.15736	0.5
211.16934	0.4
221.95026	0.4
223.07494	1.8
229.12093	3.3
247.13232	0.6
251.06992	1.7
270.13397	0.5
289.05341	2.2
297.06848	0.5
451.19321	1.2
465.13437	2.9
477.13748	5.2
495.14542	100.0
496.15079	4.7
507.20468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96581	1.4
67.05496	1.6
69.03446	1.4
69.49901	3.1
69.50288	2.7
85.02857	1.5
89.03909	4.2
89.06699	1.3
98.22669	1.4
98.59289	1.3
98.97578	3.4
107.04932	1.6
114.09127	1.3
115.94406	1.2
116.98682	1.4
117.03414	2.6
118.03756	1.6
119.08566	1.4
127.03922	2.1
135.04399	5.4
136.04758	2.4
145.02846	3.9
146.03223	1.3
163.03883	28.3
163.05130	2.1
164.04242	12.2
174.05550	2.8
227.05806	1.7
228.06532	4.3
229.06810	3.4
230.32729	1.4
242.04456	1.7
243.05032	2.3
244.05736	2.0
254.04387	2.6
255.04836	3.5
256.05841	1.5
258.07587	8.8
259.07928	7.1
269.06409	1.8
272.05478	3.6
273.05939	3.6
282.03946	1.5
286.07083	8.0
287.07477	11.0
289.05301	2.3
305.02737	9.8
314.06525	5.0
315.06931	4.9
332.07703	6.0
333.07901	11.1
451.17172	17.5
495.16129	100.0
495.22156	57.2
496.16373	5.4
496.22607	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	495.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96581	1.4
67.05496	1.6
69.03446	1.4
69.49901	3.1
69.50288	2.7
85.02857	1.5
89.03909	4.2
89.06699	1.3
98.22669	1.4
98.59289	1.3
98.97578	3.4
107.04932	1.6
114.09127	1.3
115.94406	1.2
116.98682	1.4
117.03414	2.6
118.03756	1.6
119.08566	1.4
127.03922	2.1
135.04399	5.4
136.04758	2.4
145.02846	3.9
146.03223	1.3
163.03883	28.3
163.05130	2.1
164.04242	12.2
174.05550	2.8
227.05806	1.7
228.06532	4.3
229.06810	3.4
230.32729	1.4
242.04456	1.7
243.05032	2.3
244.05736	2.0
254.04387	2.6
255.04836	3.5
256.05841	1.5
258.07587	8.8
259.07928	7.1
269.06409	1.8
272.05478	3.6
273.05939	3.6
282.03946	1.5
286.07083	8.0
287.07477	11.0
289.05301	2.3
305.02737	9.8
314.06525	5.0
315.06931	4.9
332.07703	6.0
333.07901	11.1
451.17172	17.5
495.16129	100.0
495.22156	57.2
496.16373	5.4
496.22607	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	495.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01178	0.6
54.42273	0.7
56.11494	0.7
61.91695	0.8
64.12394	0.7
64.91972	0.8
65.03926	3.1
67.05471	1.4
69.03413	2.7
69.37590	1.1
69.37985	2.4
70.29534	0.7
81.03391	2.9
82.04174	1.2
85.02898	4.2
95.04969	2.0
97.06530	1.4
101.02892	0.8
108.02086	1.2
110.03652	1.5
123.04382	1.5
127.03857	1.0
138.03139	1.1
139.03876	1.1
140.04681	4.7
146.33215	0.8
153.05463	1.8
155.06973	2.5
166.01337	0.7
171.06505	4.6
179.38023	0.8
181.04939	100.0
182.05319	2.0
187.96243	0.7
190.57201	0.7
199.06042	3.4
205.04742	4.4
267.08255	1.6
279.06464	1.5
297.07578	2.2
325.09195	4.3
343.10239	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	495.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.9
69.03426	1.8
79.05529	0.8
81.07059	1.0
82.38538	0.6
85.02888	1.1
91.05490	0.7
93.03500	0.7
94.62737	0.6
95.04939	0.7
95.08665	0.7
97.02914	1.2
97.04582	0.5
98.22757	0.7
98.97579	0.7
103.83981	0.5
105.07065	0.7
109.10193	0.8
111.04439	0.6
113.05724	1.0
117.03367	0.7
119.08554	0.7
121.02843	5.4
122.03197	1.6
123.04429	1.8
127.03927	1.1
135.04405	1.3
137.02342	0.9
137.05989	1.0
139.03899	1.5
147.04475	0.6
163.03941	2.5
164.04219	0.7
177.05516	1.3
177.06949	0.6
181.05025	1.1
212.17319	1.3
223.07538	2.2
227.02155	0.5
233.05943	0.9
247.07550	0.9
251.07054	3.0
261.07285	4.7
264.07938	0.8
269.08044	1.4
270.08307	0.9
275.07062	0.9
275.11069	3.3
279.06674	0.8
292.07315	1.1
293.07956	1.0
303.06595	1.7
309.07303	0.9
315.12079	2.6
321.07596	1.3
333.13083	3.1
357.09778	2.3
367.08200	2.1
385.08975	2.9
385.88016	0.7
409.15387	0.9
423.12561	1.9
451.18979	0.7
495.18338	100.0
496.18661	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	495.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93439	0.7
55.01860	1.7
55.05507	1.2
57.03439	0.9
61.02903	0.7
62.82030	0.8
67.05496	1.6
68.99772	0.8
69.03433	3.5
77.21082	0.8
79.05488	1.8
81.03413	3.7
81.07072	2.1
85.02896	7.5
87.00842	2.9
91.05487	2.5
93.07037	1.1
95.04959	1.0
95.08620	1.6
96.93090	0.7
97.02883	1.9
99.04500	0.9
100.11288	0.8
105.01928	1.8
105.07020	4.5
107.04974	0.7
109.02883	2.9
109.06530	1.0
119.04975	1.4
119.08603	3.2
121.06538	1.1
127.03906	4.7
128.06276	1.3
131.08620	2.0
132.24561	0.8
132.25677	0.7
135.04442	1.2
141.07019	2.5
142.07809	2.7
143.08563	2.5
145.04999	1.3
150.47621	0.9
153.07007	3.5
155.08562	8.3
157.06506	0.9
159.02988	1.1
159.08058	2.8
163.03918	3.1
164.04338	0.9
165.07008	2.2
166.07709	1.1
167.08546	1.6
168.09319	9.2
169.10065	1.0
171.08060	1.1
173.13261	0.9
174.06854	0.8
175.07544	2.0
178.07703	1.3
181.06470	6.1
181.10046	1.7
182.07297	2.2
183.08130	1.9
183.11670	16.0
187.07503	7.2
187.11203	2.2
193.10138	8.0
195.08075	2.2
196.08826	8.9
199.07600	2.1
199.11137	1.2
200.08405	1.3
201.09038	1.3
201.12720	1.7
209.09651	1.5
211.11168	18.3
211.13095	1.4
213.09032	1.3
214.09824	3.8
216.81837	0.8
219.13678	1.3
227.10777	2.3
229.12225	100.0
230.12608	3.1
231.05142	1.1
231.13879	1.2
241.12173	1.5
247.13272	11.8
259.13181	1.0
259.15726	1.0
271.13229	1.1
287.07587	0.9
337.14301	1.3
451.18741	1.1
495.10825	1.6
495.17410	2.6
521.98773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17165	0.8
55.01866	1.6
55.05500	1.3
55.83699	0.8
65.03938	2.8
67.05497	10.3
67.05826	1.2
69.03415	5.0
69.07053	1.6
71.42071	1.0
79.05501	2.8
81.03413	3.8
81.07057	3.7
83.04995	1.1
85.02887	6.3
87.00810	2.5
91.05482	2.7
93.07072	2.5
95.04953	14.6
95.05510	1.1
95.08607	2.2
97.02896	2.2
97.06490	0.9
105.01868	1.0
105.07028	3.6
107.08601	2.5
107.86393	0.8
109.02882	2.9
109.06513	5.4
110.65885	0.9
117.03374	1.0
117.07007	1.0
119.08575	3.4
121.06509	4.1
123.04416	81.0
123.08031	7.5
124.04764	2.1
124.37447	1.0
125.05995	2.1
127.03925	3.1
129.07022	1.1
131.08545	4.8
133.06487	2.2
133.10132	0.9
135.04448	2.0
135.08012	1.9
137.05960	90.4
138.06328	1.4
145.02853	1.1
145.06477	3.8
145.10114	3.0
147.08063	3.6
153.07005	1.1
155.08632	2.5
157.10117	1.0
159.02873	1.0
159.08034	9.1
159.11676	1.4
161.05913	2.0
163.03871	7.7
163.07565	1.6
164.04277	2.9
165.04475	1.2
168.09288	6.2
171.08018	1.0
172.08789	1.3
173.09561	2.7
173.13290	3.0
183.11661	9.2
186.10460	2.4
187.07523	9.4
187.11133	2.2
194.93909	0.9
196.08766	6.7
201.12712	26.1
211.11148	25.5
211.13055	1.6
211.20470	1.3
212.11491	1.0
229.12209	100.0
230.12610	2.8
240.00093	1.0
247.13271	89.8
248.13667	3.8
251.06876	1.1
274.95447	1.0
286.08051	1.1
287.08023	2.1
315.07907	1.2
328.69580	0.9
331.08191	1.1
495.11716	2.9
495.18127	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	495.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	1.0
55.05510	17.2
58.47106	0.9
64.21066	0.8
65.03943	1.4
67.05502	4.1
69.03436	6.0
69.07059	2.5
69.84508	2.9
71.04984	2.2
77.25723	0.9
77.93696	0.8
79.05500	7.0
81.07048	14.2
83.04977	38.5
85.61121	1.0
89.07883	0.9
91.05476	16.9
93.07040	9.5
95.04471	1.0
95.04979	7.5
95.08634	4.6
97.06512	2.6
99.04451	0.9
103.05450	1.1
105.07024	32.5
107.04937	2.7
107.08586	11.2
109.06503	4.2
115.05441	4.2
116.06190	1.2
117.07000	14.9
119.08583	13.8
120.42680	0.9
121.06492	6.5
121.10119	3.3
123.08061	1.9
125.05941	1.2
128.06204	11.2
129.06999	13.9
130.07817	5.5
131.08557	19.5
133.06494	3.6
133.10114	9.9
135.08051	3.7
137.05933	1.2
141.06956	5.3
142.07779	11.2
143.08551	49.3
144.09218	2.2
145.06465	3.2
145.10115	95.7
146.10446	2.1
147.08051	6.0
147.11655	4.5
149.09592	13.7
153.06963	2.8
154.07800	2.0
155.05942	1.3
155.08549	16.9
156.09369	6.8
157.10114	25.0
158.07266	2.0
159.08034	3.4
159.11705	9.3
161.09602	27.7
161.13208	3.0
163.11180	1.3
165.06978	7.6
167.08543	1.6
168.09337	1.7
169.08626	2.9
169.10127	6.0
170.10902	4.6
171.08020	4.6
171.11670	11.8
172.08838	1.1
173.09618	43.8
173.13374	1.3
174.10132	1.1
175.11174	3.8
175.14790	5.0
179.08546	1.3
179.10638	1.4
180.09332	5.8
183.11717	4.2
185.09602	1.8
185.13239	30.3
187.11215	4.4
189.09088	2.7
189.12715	4.2
191.10626	3.4
195.11671	17.4
198.10358	2.0
201.12740	4.1
203.14308	28.2
213.12730	46.2
214.13132	1.3
219.13757	1.5
231.13786	100.0
232.14151	2.2
233.11713	2.5
249.14870	5.4
273.15027	1.4
291.15729	1.9
309.16888	3.1
495.29865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	2.7
70.36516	6.6
71.08623	3.2
75.10100	3.5
86.09683	10.7
93.07042	2.9
95.08613	4.5
104.10737	19.1
105.07041	5.6
111.04421	4.6
125.00032	3.9
131.08511	5.5
145.10115	3.6
147.11652	3.7
161.05952	4.6
173.09625	3.4
175.07524	17.1
177.09090	100.0
184.07352	13.7
189.05460	7.2
204.27087	3.2
205.12262	4.7
205.16136	3.2
219.10172	4.8
229.12195	3.4
229.15765	5.9
233.15327	51.7
403.26035	4.0
421.27838	4.0
431.25555	3.7
433.27209	3.7
449.26846	6.3
459.25009	3.7
477.26450	14.1
495.27933	3.7
496.33804	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	495.3443
Annotation	Papuaforin D
Peak:m/z	Relative Intensity
60.08157	1.5
67.05508	1.5
74.97751	0.7
80.60918	0.8
83.04968	1.8
86.09693	3.1
91.05472	2.4
104.10704	2.0
124.99990	2.5
133.10129	2.7
143.08630	1.0
145.10045	1.4
150.08801	1.0
183.03070	0.8
184.07318	7.4
184.08701	1.0
199.14772	1.8
201.16418	1.7
201.19580	0.9
217.15872	1.1
301.89822	0.9
326.22641	0.9
451.35532	17.4
495.34412	100.0
496.34549	6.9
513.35760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	18.3
68.99827	3.4
69.03424	17.1
69.07060	13.3
69.38718	15.4
71.04996	5.1
71.28596	2.6
71.60303	2.7
73.02908	6.0
81.03411	36.5
85.02900	47.7
87.00829	23.7
94.19200	2.9
97.02889	40.0
98.23470	5.6
99.04462	25.0
103.03949	12.5
103.43727	2.6
105.01855	21.0
109.02876	72.1
117.03403	3.1
127.03904	100.0
129.01811	4.5
139.03876	4.1
145.04932	26.9
147.02905	5.1
159.02892	12.3
161.63339	2.7
163.03912	9.8
163.06009	11.3
213.03877	21.1
223.07460	6.9
224.07933	6.8
231.04971	41.8
249.06090	13.4
251.07129	5.4
252.07332	5.7
270.08511	4.5
273.06085	3.4
291.07101	14.4
304.53720	2.8
314.02060	3.3
357.08124	8.2
375.09299	10.8
393.10248	18.5
452.19647	5.5
453.20862	10.1
496.18045	3.9
497.19885	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	496.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
57.03437	9.8
61.02915	1.7
61.05461	1.5
65.03941	3.9
67.05490	4.3
69.03417	4.2
69.52176	6.3
71.04989	64.0
73.02908	3.0
75.04457	4.3
77.76863	1.5
79.05475	2.6
81.03400	4.2
81.07051	4.7
83.04988	12.7
83.30267	1.3
85.02899	100.0
87.04457	3.1
91.05472	2.5
93.07027	6.3
95.04977	2.5
95.08605	1.6
97.02861	4.1
98.23451	2.8
99.04469	1.8
101.06010	1.5
104.72514	1.4
107.08581	6.7
109.10155	3.5
111.04439	7.1
111.05595	2.8
121.10120	1.7
123.05545	2.2
127.03912	5.9
129.05469	41.9
133.02878	3.4
133.10089	1.5
135.11687	11.1
137.13245	1.5
140.04642	2.6
141.06590	6.0
145.02812	2.1
145.04953	6.3
147.04529	1.8
147.06506	22.2
153.05464	2.6
153.12724	14.8
159.07622	1.7
163.05956	3.6
164.09161	4.4
171.06491	1.9
177.05490	6.8
181.04945	57.1
199.06052	4.1
219.13564	1.8
237.07391	2.0
248.32564	1.5
255.08636	2.1
269.17435	2.4
273.09735	3.6
279.15878	1.6
281.17441	3.5
291.84512	1.4
309.11667	5.1
325.09146	2.4
343.10162	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	496.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
57.03431	9.1
58.64708	1.0
60.04508	1.0
61.02911	1.7
67.05493	2.0
69.03431	2.9
69.07049	2.0
71.04987	69.2
73.02898	2.2
75.04475	3.8
79.05476	2.7
81.03415	1.3
81.07035	2.3
83.04611	1.1
83.04977	11.2
85.02897	100.0
87.04471	2.6
91.05488	2.3
93.07038	16.8
95.08611	6.0
97.02879	2.4
98.23523	2.4
105.07021	1.4
107.08583	10.4
109.10149	23.0
111.04419	6.9
119.03301	1.2
127.03896	3.9
129.05466	49.3
135.04373	1.3
135.11673	30.2
139.03905	1.5
145.04933	3.3
147.06509	23.2
153.11586	2.2
153.12729	31.0
164.09163	8.7
174.68156	1.1
181.04935	1.9
223.07475	3.3
224.07893	6.8
251.06975	4.0
252.07324	4.8
255.08582	2.2
269.07977	1.4
270.08289	3.7
271.04321	1.1
273.09579	2.5
281.17426	5.5
297.16809	4.5
303.46661	1.1
309.11725	5.0
315.18121	1.3
496.18799	6.6
497.16479	4.6
497.23706	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	496.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.7
57.11760	2.7
62.76160	3.2
67.05499	13.1
69.03431	6.0
69.07062	9.4
70.75935	3.9
71.04989	4.7
79.05500	17.1
81.07061	25.6
83.04987	16.4
83.08613	3.6
85.06545	6.8
91.05457	29.0
93.07027	25.9
95.04960	67.7
95.08593	25.8
97.02880	5.5
97.06524	9.6
101.06004	3.2
103.05434	3.3
105.07026	100.0
107.04962	3.4
107.08582	39.5
109.06505	20.5
109.10160	11.2
111.08049	3.3
117.07025	12.6
119.08574	67.6
121.06498	11.9
121.10167	17.1
123.08095	9.4
123.75645	3.0
125.05972	3.8
125.09653	4.5
125.11201	2.9
129.07007	10.8
131.08559	33.3
133.06520	6.7
133.10100	27.7
135.08044	13.3
135.11699	6.8
137.09624	7.6
141.06949	3.0
142.07732	20.4
143.08571	9.8
145.10100	47.4
147.08026	9.4
147.11662	76.9
149.09601	14.3
149.13290	3.7
149.91982	3.2
155.08545	4.6
157.10123	45.5
158.10832	3.9
159.11681	38.2
160.08800	3.4
161.09641	16.0
161.13266	8.0
163.11234	3.6
165.09111	4.2
165.12769	5.1
171.11694	8.5
173.09627	4.0
173.13264	16.1
175.11160	85.8
175.12630	4.6
177.09053	5.5
177.12730	6.1
182.10966	4.1
185.13167	3.3
187.14801	32.6
189.12709	71.9
193.12245	33.1
197.13211	12.3
205.15823	7.3
215.14282	27.1
233.15358	33.5
251.16457	10.4
278.21048	7.3
296.22183	5.4
303.25635	2.9
496.12762	8.2
496.32434	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	496.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.7
69.07060	4.2
70.67361	4.7
75.82837	2.8
81.07046	5.5
83.04984	35.1
83.08578	4.8
90.36977	2.8
91.05469	11.0
93.07033	8.6
95.04959	7.3
95.08588	6.8
96.75784	2.9
101.06017	5.8
105.07029	29.9
107.08576	11.2
109.10090	4.1
115.05441	2.8
117.06998	8.9
119.08578	19.8
121.10199	3.7
129.07011	2.9
130.07793	8.0
131.08589	15.6
133.10129	10.2
135.11732	3.3
144.09293	6.5
145.10110	100.0
157.10159	2.7
159.11693	41.5
161.13231	17.5
163.11247	3.4
173.13365	5.7
177.12801	2.9
193.83011	2.8
201.16368	82.3
202.16731	3.5
219.17374	21.6
219.70403	2.7
463.47806	2.9
465.74628	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	496.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.5
56.00459	1.4
57.07063	2.3
62.13882	1.1
67.05496	5.0
69.07052	4.8
70.30762	2.9
79.05471	6.1
81.07043	8.1
83.04974	20.9
85.06535	1.6
86.09690	2.8
91.05480	11.1
93.07036	8.7
95.08592	10.4
101.06023	5.3
104.10735	6.8
105.07021	24.9
107.08578	9.2
109.10139	5.0
112.05619	1.1
115.05408	2.6
117.06992	17.1
119.08564	12.2
121.10132	5.4
124.99995	3.0
129.06984	3.1
130.07753	5.1
131.08571	15.5
133.10112	6.6
135.11711	2.5
143.08521	3.6
144.09308	2.2
145.10110	81.9
147.11742	1.5
157.10132	1.3
159.11676	30.0
161.13245	6.6
169.25288	1.2
171.26231	1.2
173.13274	5.5
183.10135	2.5
184.07404	7.3
201.16365	100.0
202.16797	3.4
219.17426	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.8
67.05501	3.4
69.07054	2.5
71.08744	1.4
77.55688	1.2
79.05486	4.0
79.20245	1.0
81.07047	5.7
81.31389	1.1
83.04974	14.5
91.05488	6.8
93.07046	9.6
95.08579	7.6
101.06022	3.8
104.10788	1.5
105.07018	19.0
107.08586	12.7
109.10139	3.4
117.07020	9.6
119.08562	15.5
121.10136	5.7
129.06960	2.1
130.07774	3.4
131.08556	21.4
133.10118	7.1
143.08603	3.3
144.09328	5.3
145.10117	41.6
147.11693	1.4
157.10095	2.9
158.10892	1.4
159.11678	48.6
161.13243	8.9
173.13252	7.6
183.10091	2.7
201.16364	100.0
202.16682	3.0
219.17415	3.4
253.55536	1.3
261.18527	5.3
482.34665	1.4
496.34409	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05035	1.2
56.25466	0.1
57.03435	0.5
57.06812	0.3
57.07069	3.2
58.06570	1.6
58.18707	0.1
59.07365	0.3
59.14653	0.1
59.51150	0.1
60.08157	18.9
67.05495	0.7
69.07056	0.5
69.65406	0.5
69.65736	0.1
70.06579	0.3
71.07368	7.5
71.08619	2.1
81.07060	0.7
83.08616	0.7
85.10188	0.9
86.09696	51.9
87.10021	0.4
89.05997	0.2
95.08599	1.1
96.59045	0.2
97.10169	0.3
98.23409	0.3
98.98458	4.3
104.10732	100.0
105.11041	0.8
109.10170	0.6
114.35212	0.1
123.11695	0.2
124.99989	31.5
143.01007	0.3
163.01555	0.7
163.03900	0.5
166.02661	0.2
167.40138	0.1
181.02562	0.2
184.07320	95.5
185.07692	0.7
208.81352	0.1
241.07686	0.1
258.11057	1.2
313.27341	1.9
313.70468	0.1
314.27585	0.2
419.25580	0.3
478.32886	7.2
479.33432	0.4
496.33911	21.9
497.34631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.05006	0.4
57.03441	0.4
57.07061	1.2
60.08159	6.8
65.11287	0.4
67.05480	0.5
69.07066	0.5
71.07359	2.4
71.08627	0.7
75.87375	0.4
81.07069	0.6
83.04972	2.5
86.09698	30.7
93.07035	0.6
95.08585	0.8
98.98460	2.5
104.10732	2.7
107.08586	0.5
119.08599	0.6
124.99992	19.9
143.23293	0.4
159.11671	0.6
176.41298	0.4
179.19637	0.4
184.07326	100.0
185.07664	0.9
198.44412	0.4
201.16360	0.7
202.16727	0.7
478.32910	1.0
488.23447	0.5
496.33981	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.9532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	9.3
59.25600	7.7
71.41840	10.3
79.15519	7.9
86.40104	7.7
98.97575	65.8
101.71951	7.7
112.89616	20.1
116.98603	34.8
134.99651	21.7
172.94357	7.2
208.34366	8.6
232.96507	17.0
240.64815	7.8
256.96475	21.2
274.97513	100.0
292.98706	46.0
331.07779	8.9
338.96768	68.0
352.07025	9.4
354.94104	14.1
356.97421	18.1
377.95078	7.8
414.95151	9.7
432.96481	15.0
455.01117	11.2
473.01492	9.9
515.10266	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	497.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34595	6.2
60.32226	5.2
71.04981	14.6
85.02918	13.8
113.78690	5.5
129.05489	8.0
141.06525	5.8
147.06520	6.0
147.84386	5.4
177.05411	13.4
365.80347	6.7
421.22968	5.6
453.12378	9.6
453.28339	5.9
497.10803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71049	0.8
68.46271	1.0
69.03442	1.3
69.17194	1.4
69.17605	4.4
85.02885	2.0
96.39993	0.9
109.02873	1.8
109.10169	1.8
119.08580	0.8
120.75719	0.9
127.03838	1.2
129.07022	1.0
157.06473	2.4
163.03770	1.0
175.07520	12.1
179.34818	1.0
185.13286	1.0
213.12692	6.1
231.13766	15.6
249.14828	1.2
315.88785	0.9
317.07883	2.0
335.08847	100.0
336.09204	4.2
497.13919	23.1
498.14801	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1627
Annotation	Tetracentronside A
Peak:m/z	Relative Intensity
57.67262	0.3
67.79496	0.4
68.86727	0.4
69.14046	2.5
70.06590	0.5
73.26112	0.4
82.06565	0.3
98.23518	0.7
110.19588	0.3
151.03922	0.7
159.07973	0.4
167.20058	0.3
169.42252	0.3
184.23106	0.4
196.85216	0.4
219.02916	0.8
268.95325	0.4
301.17807	0.4
355.37827	0.4
403.00195	0.3
497.16275	100.0
498.16605	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	497.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84624	0.7
75.27063	0.7
75.40520	0.7
82.06564	1.6
93.06989	0.8
103.51628	0.7
104.56834	0.8
107.08527	1.1
109.10101	0.9
119.47331	0.8
146.84303	0.8
157.22052	0.7
163.03824	2.7
177.00560	0.7
178.52359	1.0
196.47089	0.9
225.58086	0.7
230.85152	0.7
245.06224	1.7
249.10899	2.1
270.31305	0.7
289.05276	6.1
317.14798	1.4
411.15927	2.6
453.16934	15.2
479.18835	1.3
497.15860	100.0
498.16431	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	497.178
Annotation	Steganangin
Peak:m/z	Relative Intensity
52.81028	1.3
53.99980	1.5
70.50002	1.6
70.50335	2.1
81.07072	1.6
85.43752	1.9
93.07012	1.4
100.50642	1.3
100.65173	1.6
135.04408	4.0
157.88440	1.3
163.03877	1.7
163.49323	1.4
208.36333	1.4
274.89331	1.6
274.97662	2.6
437.15698	5.3
497.17758	100.0
497.32623	6.9
498.18015	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	497.1786
Annotation	Steganangin
Peak:m/z	Relative Intensity
54.40265	2.8
55.05505	4.2
69.36137	10.3
79.92374	2.6
81.03383	3.6
81.07072	4.2
85.02897	2.7
95.08601	2.8
97.02876	3.4
98.22756	4.0
100.11238	3.7
103.08002	2.1
106.75207	2.3
109.02905	2.6
113.41621	2.4
121.10140	2.8
127.03863	5.0
133.10216	2.7
135.04456	3.9
147.04402	3.2
157.10065	3.3
163.03851	8.2
182.15262	3.4
231.13911	3.3
249.14674	4.6
289.05365	5.1
325.92490	2.8
357.74707	3.5
368.05942	2.6
411.16885	4.5
429.18121	4.7
453.19357	10.6
497.18143	100.0
498.18112	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	497.1784
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
55.05498	3.4
62.15003	1.3
69.16413	8.7
75.24252	1.7
79.05521	1.8
81.03400	2.0
81.07020	1.7
86.09700	1.6
91.05470	2.4
98.23447	2.7
100.07612	1.8
100.11208	3.2
105.07017	2.3
119.08553	1.9
120.08094	2.4
123.11681	1.6
133.10155	1.4
154.37045	1.5
163.03894	5.9
175.31810	1.5
231.13780	3.0
249.14798	4.1
269.07471	1.4
289.05344	2.5
305.02631	4.1
348.31427	1.5
453.19034	6.4
479.17102	3.4
497.17776	100.0
498.18198	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	497.1787
Annotation	Steganangin
Peak:m/z	Relative Intensity
54.10233	0.6
55.93713	0.7
57.95320	0.6
60.11179	0.6
97.02875	0.6
98.97602	1.1
105.07069	0.7
117.07044	1.9
131.08591	0.7
133.10118	0.8
169.04997	0.6
177.00807	0.7
207.10257	1.0
215.14404	2.6
305.02682	16.8
310.28580	0.7
325.08975	0.8
393.89084	0.7
396.58994	0.8
453.18829	10.7
497.17825	100.0
498.18198	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	497.1787
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
51.42005	1.5
51.94020	1.5
57.20859	1.3
69.79214	3.6
72.39450	1.3
74.35762	1.5
82.47278	1.5
82.47761	1.4
82.52073	1.6
84.30003	1.4
90.84243	1.5
91.47416	1.4
97.59480	1.5
98.23344	3.1
98.97573	8.7
116.98666	2.5
135.04350	1.6
158.99629	1.9
163.03896	6.7
174.14944	1.9
301.08984	4.3
305.02362	1.9
345.07904	4.1
359.84964	1.8
411.16202	2.4
453.19733	7.1
479.16788	38.7
497.18140	100.0
498.18243	4.7
512.93280	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54504	0.9
53.03938	4.8
54.61507	0.9
55.01862	5.1
55.05499	2.7
57.03424	2.2
61.02904	1.3
61.43050	1.0
67.05499	5.1
67.71725	1.0
68.99769	2.5
69.03421	16.2
69.07050	2.4
69.54208	1.1
71.04977	3.6
73.02938	2.7
79.05477	6.5
81.03409	18.3
81.07058	11.5
83.04970	3.2
85.02407	1.8
85.02898	30.0
87.00829	10.7
91.03925	1.5
91.05473	8.0
93.07041	6.6
95.04980	7.5
95.08599	7.8
95.41747	1.1
97.02888	9.2
97.06530	2.2
97.10166	3.3
98.23480	4.1
99.04456	5.5
99.08046	2.1
105.01866	6.9
105.07025	12.0
107.04930	1.4
107.08597	10.1
109.02879	17.3
109.06493	5.6
109.10145	3.7
111.04383	1.9
111.08071	1.1
117.01831	2.0
117.07006	3.2
119.04931	1.5
119.08563	9.6
121.02776	1.1
121.06461	3.4
121.10158	2.2
123.04433	3.2
123.08065	2.6
125.09615	2.2
127.03909	25.0
127.17596	1.2
128.06181	2.9
129.01810	2.2
129.07031	5.0
131.08548	6.3
133.06480	2.1
133.10121	3.8
135.04370	1.4
135.08058	13.2
137.05937	1.1
139.03871	1.3
142.07727	2.2
143.08543	7.1
145.04929	7.1
145.06467	1.7
145.10110	7.0
147.02843	1.4
147.08025	6.6
147.11671	2.8
149.05937	3.6
155.08562	2.5
156.09332	1.8
157.10048	5.0
159.02878	8.8
159.08069	5.4
159.11694	3.3
161.05978	6.6
161.09639	2.6
161.13278	2.9
170.10851	1.3
171.07951	1.1
171.11659	3.6
172.08881	1.6
173.09633	2.7
175.07533	20.5
175.11148	1.3
175.14833	1.6
177.03899	1.0
181.04944	1.8
185.13264	7.4
187.11179	1.4
187.14771	4.0
189.09018	1.8
189.12756	1.9
203.10556	1.2
203.14310	18.9
213.12756	11.0
215.14330	2.2
221.15254	2.2
223.07503	3.0
224.07703	2.1
225.08037	2.1
229.12230	1.9
231.04985	4.4
231.13776	100.0
232.14189	3.7
233.15149	1.3
249.14828	12.6
251.07065	2.5
252.07303	2.4
253.07552	2.5
269.07977	1.5
270.08322	1.8
271.08685	1.9
287.16370	1.6
468.83289	1.1
479.19241	1.5
497.19824	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	497.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22492	0.4
93.71030	0.4
95.32757	0.3
127.03889	0.9
133.10117	1.4
163.03879	0.9
181.05046	0.4
205.11987	0.8
231.13571	1.4
245.06288	1.2
249.14604	6.3
277.14035	3.0
289.05173	2.8
324.01669	0.5
393.18845	2.0
411.14377	0.9
411.19864	16.3
412.20004	0.9
453.20926	45.4
454.20984	2.7
479.19089	0.8
497.19897	100.0
498.20294	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	497.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54924	0.3
65.28677	0.3
70.06602	0.3
70.71791	0.9
85.09525	0.3
91.05485	0.4
94.79488	0.4
99.77178	0.4
119.07960	0.3
133.10117	0.9
135.04514	0.5
145.02910	0.5
163.03906	0.7
171.61937	0.4
181.04962	1.5
205.12074	0.8
225.08260	0.4
231.13672	1.2
245.06422	0.6
249.14604	5.2
258.20154	0.4
277.14047	2.9
289.05380	2.3
393.18878	1.4
411.19846	16.6
412.20193	1.2
435.19751	0.6
453.20917	42.6
454.21170	2.2
479.18787	0.8
497.19901	100.0
498.20212	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	497.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22330	0.8
69.07056	0.7
69.74858	2.9
73.68167	0.8
82.06572	2.3
87.55687	0.7
91.01148	0.7
91.05479	0.9
93.07049	1.0
104.51054	0.9
105.07039	2.2
107.08582	0.9
110.07162	2.0
121.10151	1.3
127.00072	1.0
128.38756	0.7
131.08559	1.4
133.10161	1.2
135.04398	1.0
139.98996	1.9
144.09380	0.8
145.02866	1.2
156.07594	0.9
158.00122	1.2
163.03879	5.4
164.82191	0.8
173.13257	1.1
177.05397	0.9
203.05325	1.5
227.05276	2.7
229.02937	0.8
231.13538	3.4
245.06267	6.8
249.10950	6.5
249.14650	3.6
271.04431	1.5
289.05267	16.7
289.08411	1.5
335.19666	1.4
393.18692	2.4
401.98447	0.9
411.15085	4.6
411.20941	5.6
435.19849	2.9
453.16269	34.2
454.17386	1.8
461.17569	1.2
479.18927	11.3
497.16150	100.0
497.20007	77.2
498.16476	7.0
498.20062	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	497.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75647	0.6
67.05492	0.6
69.03432	2.7
80.05016	4.7
81.05808	1.1
82.06573	17.9
85.02937	0.7
89.03915	1.2
91.05487	1.6
94.06564	1.0
96.08108	0.7
105.07055	1.2
107.08576	1.5
108.08118	5.9
117.03414	1.6
119.08611	1.0
121.10164	0.8
127.03786	0.6
131.08543	1.2
135.04379	3.2
135.08099	0.6
143.08528	0.6
145.02773	1.7
145.10107	1.1
147.04463	1.1
150.05515	0.7
158.10971	0.7
159.08023	3.6
163.03891	13.5
163.05104	0.8
173.13286	1.5
177.05545	0.7
185.04189	0.9
191.03459	1.1
202.96614	0.6
203.05284	1.5
219.02881	14.4
227.05269	1.4
231.13782	2.6
245.06322	6.4
249.14638	1.3
271.04413	1.2
289.05298	19.5
289.08429	1.2
289.15622	2.3
305.42279	0.6
317.14929	14.3
335.16028	3.5
353.15854	1.5
379.21344	0.6
393.18741	0.7
395.16824	2.6
411.19928	2.5
417.18927	0.7
435.19931	4.3
453.21234	8.6
461.18082	2.4
465.29855	0.6
479.18832	30.5
480.19244	1.6
497.19922	100.0
498.20502	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	497.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01873	4.5
55.05502	2.8
55.71980	0.8
57.03420	2.6
59.66256	0.7
61.00368	0.8
61.02914	2.5
65.03944	1.4
67.05506	4.3
68.99786	1.8
69.03068	1.2
69.03423	16.0
69.07066	1.7
71.04977	3.2
71.43108	0.8
73.02899	2.8
79.05473	4.6
81.03413	15.5
81.07057	11.5
83.04951	2.2
85.02900	27.8
85.03414	1.5
85.06499	1.2
87.00817	11.8
91.03909	1.0
91.05470	6.9
93.07026	5.5
95.04965	9.6
95.08600	6.9
97.02895	8.2
97.06516	1.4
97.10155	4.5
99.04435	5.1
99.08099	1.5
103.05475	1.0
105.01857	6.5
105.07027	9.6
107.04972	0.9
107.08591	8.6
109.02867	13.3
109.06525	6.7
109.10143	3.4
111.04404	2.1
111.08084	0.8
113.93180	0.8
115.05403	0.8
116.39677	0.7
117.01852	1.8
117.07015	3.1
119.08569	9.6
121.06492	2.4
121.10117	2.5
123.04417	2.4
123.08059	2.1
123.11734	0.7
125.05948	1.1
125.09623	3.0
127.03904	22.2
128.06184	2.0
129.01794	2.0
129.06984	3.6
131.08539	4.5
133.06470	3.4
133.10107	3.8
134.07274	0.7
135.04414	1.5
135.08038	11.3
137.05998	1.7
139.03882	1.2
139.07533	1.5
142.07755	2.6
143.08545	6.4
145.04950	5.4
145.06473	1.9
145.10127	6.4
147.02858	2.3
147.08046	5.8
147.11670	3.0
149.05977	3.3
149.09631	1.3
151.07553	0.8
155.08525	1.7
156.09303	2.1
157.10168	4.7
159.02869	9.4
159.08086	5.0
159.11656	1.9
161.05971	4.8
161.09630	2.8
161.13277	1.7
163.07538	1.1
170.10918	2.6
171.08084	1.6
171.11652	3.1
172.77928	0.8
173.09599	2.4
173.13326	1.1
175.07532	22.2
175.11165	1.7
175.14801	2.1
176.08015	0.8
181.05048	0.9
183.07996	1.0
185.09625	1.0
185.13237	9.0
187.11128	1.4
187.14754	4.8
189.09125	2.2
189.12750	2.7
195.11557	0.9
198.10410	1.8
203.10593	0.8
203.14308	15.8
213.03926	1.0
213.12724	12.1
215.14349	3.0
218.20525	0.7
219.13794	1.1
221.15326	2.4
223.07471	2.0
224.07875	1.5
225.08156	1.3
231.05052	4.0
231.13779	100.0
232.14133	2.6
233.15486	1.0
249.12488	1.3
249.14870	12.7
251.07047	2.0
252.07272	1.7
253.07674	2.4
269.08221	0.8
270.08316	1.5
271.08578	1.0
352.98532	0.7
479.18942	1.7
497.19748	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	497.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01001	2.1
51.74108	1.9
54.53057	1.9
60.10422	1.8
61.02914	3.0
69.03445	5.0
85.02897	8.4
87.00821	5.4
91.05459	2.7
97.02893	3.5
100.35345	1.9
105.01846	2.6
109.02881	4.9
118.38869	2.0
119.08562	3.1
127.03890	2.4
128.06157	2.6
129.06197	1.9
129.06989	11.5
139.12022	1.7
143.08524	4.4
145.06497	5.7
147.08072	4.6
151.15799	2.4
157.06490	22.7
157.10159	2.2
171.08081	3.9
175.07539	94.8
176.07906	2.6
184.08766	2.3
185.13138	4.3
193.08665	1.9
198.10396	3.1
199.88182	2.1
213.12726	40.5
229.12265	3.8
231.13785	100.0
232.14114	3.6
249.14935	8.4
270.27176	2.0
294.94440	2.7
464.74265	2.3
497.23279	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	497.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51854	1.4
56.10061	1.4
66.77795	1.3
69.03437	3.8
69.28017	1.4
70.06570	1.7
76.15707	1.4
81.03395	4.6
85.02895	7.6
87.00809	3.7
87.45423	1.6
91.05482	3.5
97.02899	3.1
99.04446	1.9
101.65906	1.3
105.01877	2.3
105.07031	1.9
109.02833	3.3
119.08536	3.7
127.03900	5.6
129.06996	10.9
143.08572	2.1
145.06502	19.0
147.08058	4.6
157.06493	15.9
157.10188	2.6
159.02919	2.2
163.03888	2.1
163.71724	1.6
171.08067	5.2
171.99831	1.5
175.07532	89.7
176.07935	1.7
184.08885	1.9
185.13293	3.5
193.08594	2.6
198.10345	4.8
201.12788	6.8
213.12726	28.1
214.13086	1.6
226.18108	1.6
229.12280	1.8
231.13788	100.0
232.14117	5.0
249.14935	6.2
354.00018	1.7
457.15820	1.6
469.57303	1.7
497.19696	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28613	0.3
69.37286	0.5
69.37695	0.8
84.11008	0.3
85.93817	0.2
91.05476	0.3
107.04965	0.6
108.05719	0.3
136.05138	0.6
137.05988	0.3
142.54953	0.2
151.07527	12.5
152.07887	0.3
165.09119	0.8
188.08363	0.6
189.09187	0.3
191.10680	0.4
203.10655	0.9
217.12276	0.6
300.66473	0.3
307.57245	0.3
340.16602	0.6
355.19055	0.3
358.88123	0.2
395.18292	1.5
437.19321	5.3
438.19623	0.4
482.19046	0.5
497.21393	100.0
498.21790	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	497.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.6
57.07119	1.7
59.54824	1.2
60.81288	1.4
67.05486	3.7
69.03443	1.3
71.04988	4.0
79.05487	8.1
81.07055	16.0
83.04977	30.7
91.05478	16.6
92.60556	1.4
93.07034	7.5
95.04973	6.6
95.08595	5.0
97.06525	3.1
101.06026	1.7
105.07024	31.1
107.04951	2.6
107.08572	11.9
109.06507	4.0
109.20425	1.3
114.11206	1.2
115.05473	2.9
117.07025	12.4
119.08555	12.9
121.06480	4.2
121.10146	1.9
125.05988	1.7
128.06223	11.4
129.07001	14.1
129.60588	1.3
130.07780	5.5
131.05000	1.8
131.08540	16.8
133.06531	3.2
133.10121	7.9
135.08034	2.0
141.06976	3.9
142.07802	7.0
143.07430	2.4
143.08553	44.5
145.06473	3.9
145.10117	83.7
147.08038	6.1
147.11667	4.9
149.09613	12.6
153.07002	3.2
155.05971	1.3
155.08522	15.5
156.09361	5.2
157.10129	22.4
158.07286	2.8
159.08025	3.3
159.11644	11.0
161.09612	24.1
161.13280	3.3
163.11151	1.5
165.06978	7.3
166.54022	1.3
169.10132	5.4
170.10912	3.2
171.08020	4.1
171.10268	2.1
171.11670	9.8
173.09604	38.8
173.13306	1.8
175.11191	2.0
175.14854	3.0
180.09314	7.1
183.11668	2.0
185.09671	2.1
185.13243	29.4
187.11194	1.9
189.09200	1.9
189.12743	3.6
191.10701	2.7
195.11671	12.2
198.10428	2.8
201.12724	2.6
203.14299	24.3
213.12735	40.9
213.24115	1.4
219.13780	2.8
224.95639	1.3
231.13786	100.0
232.14168	2.7
233.11642	2.0
249.14824	5.5
273.14865	1.7
279.86243	1.6
291.15906	3.8
309.16998	4.8
364.61459	1.4
497.33289	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50111	1.5
55.05507	2.6
67.05502	5.3
69.07058	6.1
73.42765	1.6
79.05499	3.4
81.07044	5.8
81.99665	1.5
83.04983	4.4
85.06543	1.9
91.05474	11.6
92.60609	1.6
93.07037	8.5
95.08609	6.5
101.06013	12.8
105.07022	20.1
107.08582	8.4
109.10179	3.9
111.90681	2.0
117.07017	13.2
119.07066	6.3
119.08572	11.5
121.10133	3.8
129.06972	3.0
130.07802	6.6
131.08559	14.8
133.10120	7.2
134.80898	2.0
143.08499	4.6
145.10112	100.0
146.10548	2.3
157.10078	2.3
159.11693	28.5
161.13242	7.2
170.91608	1.7
173.13231	4.6
201.16364	99.5
202.16737	4.0
219.17502	4.4
220.21368	1.6
221.80272	1.5
337.13181	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.7
61.64700	3.0
67.05493	4.4
68.28294	2.5
69.07053	5.8
69.96925	7.7
79.05487	3.6
81.07037	6.9
83.04935	3.0
83.59997	2.8
83.75609	3.1
85.06562	3.9
85.50887	3.0
91.05474	6.3
93.07023	5.0
95.08595	6.6
101.05988	8.8
105.07011	17.8
107.08583	8.4
109.10140	3.4
117.07024	14.1
119.07077	2.8
119.08569	8.4
121.10096	3.4
129.06990	3.8
130.07788	8.0
131.08557	15.1
133.10074	6.8
145.10118	93.0
147.90346	3.0
159.11691	23.7
161.13248	6.6
173.13298	7.4
201.16370	100.0
202.16650	5.1
209.47322	3.2
219.17462	4.4
316.15781	2.9
497.35486	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	497.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
53.87486	2.6
55.01853	3.4
55.05508	25.8
57.03435	25.7
57.07070	3.6
58.81939	2.5
61.02929	46.7
65.03927	4.3
67.05502	71.7
69.03429	34.1
69.07066	19.2
70.32664	3.6
70.32974	4.1
71.01358	4.0
71.04985	3.9
73.02908	20.8
73.06552	2.8
79.05486	45.7
81.03413	16.0
81.06573	3.7
81.07053	77.1
82.07433	3.0
83.04967	8.3
83.08624	7.2
85.02906	42.9
91.03954	28.3
91.05479	38.9
93.07034	50.2
95.04975	9.9
95.08601	60.4
96.09007	3.2
97.02885	39.5
97.06513	3.0
97.10173	5.2
99.04454	10.8
101.02385	8.8
101.06024	11.6
103.03943	4.5
105.07021	42.9
107.08588	38.4
109.02859	10.8
109.10145	24.5
111.04449	3.2
112.66847	2.9
115.03924	3.5
116.06134	2.8
117.07014	25.8
119.08568	31.2
121.05313	2.7
121.10149	24.1
123.11689	10.1
127.03908	13.7
129.07011	7.7
130.07797	5.7
131.08560	32.2
133.10152	17.2
135.11703	12.7
143.08559	6.7
144.64960	3.0
145.04951	4.5
145.10126	100.0
147.11650	9.1
149.13271	9.2
157.10060	3.3
159.11687	27.6
161.13274	11.1
171.11644	3.4
173.13284	13.5
181.46156	3.4
183.06512	5.0
187.14940	5.4
201.14482	4.6
201.16371	96.6
219.17311	4.0
228.54539	3.2
236.07413	3.3
243.21114	5.4
261.22122	9.9
264.71222	2.8
277.22000	2.9
303.23492	3.6
315.23340	3.3
335.25754	37.6
351.23373	3.6
373.89407	3.4
479.30377	3.2
497.31253	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	497.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14861	0.3
69.08062	2.0
79.05467	0.3
83.77026	0.3
127.73981	0.3
132.04059	0.3
147.11415	0.2
149.09601	0.3
150.56943	0.2
151.56804	0.3
152.72270	0.3
225.97281	0.3
497.32324	100.0
498.32687	5.7
515.33368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.6
65.03921	6.7
69.03439	3.7
70.06586	57.3
71.43212	3.1
72.08157	5.6
81.03405	10.6
83.08593	9.1
85.02914	3.4
86.09692	21.6
95.04972	5.2
95.08614	4.1
97.02895	9.2
100.11259	36.2
109.02882	7.3
109.10130	4.6
111.04412	7.0
121.02859	100.0
121.03816	5.7
121.06438	3.6
121.43578	3.7
127.03883	5.7
128.07051	5.2
135.11682	4.4
139.03870	18.5
141.10243	4.1
147.07967	4.0
153.12723	4.7
155.03362	4.0
163.03940	6.3
182.15410	6.7
184.16322	3.7
185.16478	8.3
209.16611	5.7
210.14771	5.7
213.15945	7.1
215.13901	46.2
265.07050	14.3
283.08026	9.5
286.17612	13.6
315.85489	3.6
481.20230	4.4
498.36084	47.4
499.21329	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	498.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68516	1.0
53.03929	1.3
55.05492	1.2
57.03410	1.3
57.95857	0.9
58.23307	1.0
60.58555	0.9
61.37372	0.9
65.03930	3.6
66.13935	0.9
67.05500	2.6
67.86412	1.1
69.03413	2.1
69.40891	4.6
81.03410	3.3
81.07053	2.5
82.04190	1.1
83.04939	1.2
83.08601	1.0
85.02899	6.7
87.00830	1.9
88.30613	0.9
89.12698	1.1
95.04954	2.5
97.02890	3.5
97.06510	1.0
98.09682	1.7
99.04446	1.5
100.11254	2.2
105.01862	3.0
105.03397	1.1
109.02880	2.9
110.03646	1.3
111.04442	2.8
121.06492	1.0
123.04420	1.6
127.03903	3.3
140.04683	5.2
145.04951	1.2
153.05467	2.1
155.07031	3.2
156.10211	1.6
171.06532	4.2
181.04945	100.0
182.05278	2.5
182.15395	1.7
189.03951	1.1
198.14723	1.4
199.06006	4.4
210.14911	2.9
231.13829	1.9
232.14070	2.4
325.09082	4.1
337.20996	1.1
343.10220	6.2
499.17819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.1
55.01858	6.7
55.05501	6.9
57.03434	21.0
59.39317	2.4
61.02905	9.4
67.05489	4.4
68.99789	5.7
69.03065	3.3
69.03427	53.7
70.59634	4.0
71.01377	4.8
71.04994	4.3
71.27891	2.2
73.02908	31.1
74.65206	2.1
79.05486	4.5
81.03418	36.2
81.07041	3.4
83.04981	8.7
83.08653	2.3
85.02900	100.0
87.00822	46.8
87.04449	2.9
91.05499	2.5
93.88271	2.1
94.42846	2.2
94.45183	2.3
95.04979	4.5
95.08627	3.1
97.02892	54.7
97.06502	2.8
99.04444	14.8
99.65107	2.1
103.03959	14.4
105.01863	60.1
105.03371	19.5
106.61848	2.1
107.04951	2.9
109.02871	35.1
111.04424	8.5
111.08087	3.7
115.03914	9.6
115.86159	2.5
117.01805	3.0
123.04413	6.9
123.08033	2.2
125.02338	10.5
126.27695	2.2
127.03904	83.1
129.01833	7.3
135.04417	2.7
137.06001	4.0
139.03876	3.0
141.09081	4.8
145.04944	24.1
147.02913	2.9
147.06435	2.4
150.07646	5.9
151.03946	3.8
151.07573	2.5
159.02814	12.0
163.03897	5.1
169.04932	3.3
171.02849	2.9
181.04922	7.8
189.03897	19.5
191.10660	2.4
191.83609	2.1
193.04901	2.7
199.05992	3.6
205.05003	5.3
209.11737	9.2
213.03934	11.0
215.05566	2.9
217.07031	4.5
223.06007	9.5
231.04958	19.6
231.13805	3.0
232.14108	3.7
233.06645	5.2
234.07068	2.2
241.07033	14.4
249.06061	8.6
249.14890	5.6
250.15175	5.6
267.08713	3.3
269.13852	3.6
273.05997	18.0
273.12335	7.0
295.11664	16.6
313.12796	7.1
324.63266	3.1
327.07159	5.6
331.13721	2.3
345.08029	3.6
363.09119	3.5
404.62509	2.4
406.20419	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82213	2.0
53.03946	16.7
55.01865	5.0
55.05496	3.2
57.03431	4.5
61.02934	3.0
68.99784	4.0
69.03429	18.4
69.40630	4.7
69.41038	7.1
71.04978	6.9
73.02909	5.9
75.34299	2.0
80.84409	2.6
81.03416	36.7
85.02897	48.7
87.00830	22.3
97.02889	31.4
98.23497	2.9
99.04462	25.0
103.03943	7.3
105.01868	24.9
109.02873	80.4
117.56020	1.9
118.37718	2.1
127.03909	100.0
129.01842	5.8
145.04968	22.5
147.02888	6.2
151.92610	1.9
159.02858	13.6
163.03996	2.6
163.05992	7.3
166.51163	2.1
169.04903	2.6
187.06024	3.4
213.03914	19.1
231.04984	32.3
249.06027	7.9
273.06018	6.9
291.07068	9.2
294.39255	2.1
352.11981	2.1
357.08163	5.8
361.15134	2.9
375.09155	11.3
393.10239	7.1
454.21109	4.8
463.18161	3.5
498.20169	14.4
499.21561	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	498.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.05506	19.1
65.03919	4.6
67.05499	19.2
69.03414	9.1
69.07047	9.1
69.23919	8.2
69.24314	6.8
77.03947	2.9
79.05475	22.5
81.03410	4.7
81.07050	40.3
83.04961	12.8
83.08582	2.9
84.08142	2.8
91.05467	75.8
93.03394	18.7
93.07038	62.4
95.04951	23.6
95.08595	42.4
97.02883	7.8
97.06520	4.2
103.05456	7.2
105.04520	6.4
105.07018	91.9
107.04904	4.9
107.08584	39.4
109.06497	10.4
109.10161	17.2
111.08080	6.4
112.07572	2.5
115.05477	6.9
117.07008	16.2
119.08569	100.0
121.02834	3.0
121.06494	72.7
121.10110	15.3
123.08047	9.9
123.11712	6.0
128.06216	20.3
129.06999	26.9
130.07767	4.7
131.08545	39.0
133.06465	7.1
133.10104	47.7
135.08047	6.4
137.09613	3.3
141.06934	6.4
142.07776	24.6
143.08539	62.7
144.09314	5.5
145.10115	38.1
147.08011	7.6
147.11668	34.8
149.09688	2.8
155.08562	4.8
156.09344	6.9
157.10100	54.1
159.08078	3.3
159.11676	49.8
161.05963	5.9
161.09615	12.7
161.13228	12.1
163.03813	3.9
169.10005	6.2
170.10849	5.2
171.11612	16.3
173.09604	5.8
173.13203	11.9
175.11230	4.5
175.14833	5.2
183.10129	2.8
183.11502	2.7
184.12369	5.0
189.16391	29.4
199.14813	83.0
200.15166	2.7
217.15865	48.4
231.13823	3.5
252.23349	2.5
256.88461	2.8
276.27576	2.6
498.32990	6.0
499.22565	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	498.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.3
59.03074	4.2
67.05499	7.3
70.27860	4.3
70.53642	8.1
72.27026	3.7
79.05505	16.0
81.03412	10.5
81.07061	6.8
83.04979	48.9
91.05465	31.5
93.07039	11.0
95.04971	74.9
97.06523	35.2
101.06046	21.1
105.07024	28.1
107.04942	11.5
107.08601	11.1
109.02879	5.3
109.06532	15.6
117.06967	8.4
119.04929	18.4
121.06525	8.8
122.01405	3.7
123.04421	17.8
123.08038	5.0
128.06209	4.5
129.06990	11.7
131.04968	4.3
131.08566	15.0
133.06522	27.1
135.04387	4.8
135.08046	22.1
137.05963	4.8
137.09656	4.7
143.08586	10.7
145.06482	17.7
147.04411	7.6
147.08041	10.8
149.05913	11.1
149.09590	8.0
159.08075	17.3
161.05965	100.0
163.07558	11.3
171.08134	6.6
171.11671	6.9
175.07452	8.1
177.09122	10.8
179.07034	5.3
181.08704	6.8
183.10181	10.3
185.09610	8.5
187.07597	9.0
189.12811	4.9
199.11171	40.7
201.11194	7.8
205.08611	12.1
217.12234	11.2
218.61769	3.4
227.10672	9.5
245.11740	12.4
263.12851	8.8
281.13943	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	498.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	4.8
55.05500	15.2
58.53079	4.7
58.93903	4.4
67.05496	8.0
69.22536	10.1
69.22942	22.0
79.05470	25.7
80.59349	4.5
81.07050	21.8
83.04982	56.9
91.05470	77.8
93.07030	16.4
95.04966	88.5
95.08610	16.8
97.06544	10.3
101.06028	11.7
105.07030	24.2
107.04968	17.1
107.08606	6.5
109.06518	20.1
113.78488	4.4
115.05460	9.9
117.07012	57.4
119.04916	32.2
119.08573	37.6
121.06498	16.3
123.08099	12.0
128.06226	12.5
129.07001	24.6
131.08562	72.8
133.06517	16.6
133.10130	7.2
135.04424	10.7
135.08047	8.7
141.06995	10.7
142.07787	12.7
143.08542	38.6
145.06456	31.3
145.10124	19.9
147.08037	16.3
147.11687	8.4
149.09677	7.9
151.07578	13.9
155.08575	10.1
157.10136	10.2
159.08017	40.0
161.09602	10.2
161.50273	5.0
163.07516	21.9
169.08572	6.5
171.11684	16.6
173.09586	8.3
173.13342	9.1
175.07570	6.6
175.11165	15.4
177.09062	26.1
178.03484	4.4
181.10126	6.0
183.11684	5.8
185.09581	10.2
187.07541	100.0
189.09154	8.2
189.12772	11.1
199.11157	22.3
201.12717	12.8
203.10693	11.2
205.08572	47.7
217.12271	36.8
227.10713	13.3
245.11700	35.3
256.37051	4.9
263.12766	43.2
366.95825	5.9
381.79010	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	498.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01868	3.7
55.05505	10.9
57.03441	3.5
59.04988	2.5
65.03944	2.3
67.05501	12.5
69.03410	2.4
69.07074	3.8
71.04984	2.3
76.68807	1.6
79.05486	27.5
81.03423	4.0
81.07049	53.2
83.04973	47.6
85.06526	4.6
91.05473	30.1
92.73171	1.7
93.07041	28.5
95.04953	41.5
95.08593	15.3
97.06534	16.2
99.04454	2.3
101.06020	14.1
103.05453	3.3
105.04521	1.8
105.07019	76.6
107.04943	11.4
107.08573	14.3
108.08141	2.0
109.06502	14.6
110.09690	2.0
111.08058	6.6
115.05401	4.9
116.06233	3.1
117.07017	28.1
119.08569	27.0
121.06463	11.1
121.10134	14.8
123.08061	7.3
125.09706	2.1
128.06186	14.0
129.06990	27.4
130.07805	12.8
131.04974	2.4
131.07652	3.0
131.08562	36.3
133.06465	6.4
133.10136	10.7
134.77623	2.1
135.08032	6.4
135.11691	3.7
137.05974	1.6
137.09639	2.3
139.07527	4.0
139.11246	4.6
141.06990	4.3
142.07809	11.1
143.08556	40.9
144.09358	3.8
145.06461	8.9
145.10112	100.0
146.10408	2.2
147.08002	9.5
147.11647	9.6
149.09566	8.0
151.07507	3.5
153.06885	1.9
155.05998	2.6
155.08525	10.9
156.09262	5.0
157.10114	22.9
158.07301	5.0
159.08040	4.2
159.11690	14.3
161.09622	6.2
161.13272	4.8
163.11172	5.9
165.07043	4.2
167.10674	10.8
169.10074	3.8
169.64880	2.0
170.10904	2.6
171.07971	2.5
171.11703	14.2
173.09602	47.5
173.13263	3.6
175.11209	8.2
175.14807	8.6
179.10654	3.4
180.09320	3.5
183.10149	6.9
183.11638	2.1
185.09619	3.7
185.13226	25.3
187.11162	15.2
189.12724	6.1
191.10663	39.5
195.11649	4.5
201.11183	4.1
201.12819	2.9
202.87250	1.7
203.14310	15.8
209.11662	2.8
213.12718	11.0
220.29799	1.7
221.15373	2.5
231.13792	22.5
249.14816	15.1
262.17996	3.8
267.15909	4.1
280.19077	14.3
298.20163	3.4
348.02713	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58204	4.0
55.05500	12.8
57.03465	5.0
67.05505	10.1
69.03452	5.0
69.07075	6.1
70.82047	6.4
71.04973	13.4
79.05487	25.7
80.18181	4.1
81.07051	21.9
83.04970	13.7
88.55606	5.0
91.05477	72.5
93.07037	32.7
95.04964	22.9
95.08588	6.7
97.06514	10.7
103.05489	7.2
105.04511	5.1
105.07019	98.4
107.08576	17.7
109.06517	6.8
115.05447	19.7
116.06236	5.0
117.07024	45.6
117.84918	5.9
119.08571	35.8
121.06477	10.5
121.10149	9.9
128.06203	27.6
129.06996	58.2
130.07776	15.0
131.08572	79.0
133.06470	14.5
133.10115	31.9
135.08075	12.0
141.07002	8.9
142.07803	11.0
143.08574	55.9
144.09367	7.4
145.06422	12.2
145.10124	100.0
146.25616	4.4
147.07997	10.8
147.11620	5.6
149.09619	13.8
153.07008	8.7
155.08527	26.0
156.09337	10.2
157.10121	27.5
159.11690	19.9
161.09592	29.7
161.13266	10.1
163.11145	6.9
168.09419	6.3
169.10114	9.3
171.11685	24.1
173.09605	71.3
173.13351	7.0
175.11195	10.6
175.14774	6.3
185.13287	24.5
186.13878	5.5
187.11182	6.7
189.12715	10.2
191.10638	21.9
195.11681	17.0
201.12740	11.6
203.14307	11.8
212.26479	4.4
213.12714	25.5
219.13786	7.4
231.13805	27.6
249.14980	11.0
258.50262	4.4
280.19000	9.6
291.18097	4.5
304.92923	4.4
314.99454	4.5
499.23148	9.7
512.72778	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	498.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.3
57.07042	2.6
66.41511	1.9
67.05502	8.8
69.07050	6.5
70.69273	3.3
79.05477	7.4
80.00997	2.1
81.07047	20.0
83.04968	22.1
83.08599	3.8
91.05458	13.7
93.07028	13.4
95.08585	24.6
100.48591	2.3
105.07012	59.4
107.08581	18.0
109.10143	20.6
113.68806	2.1
119.08562	44.2
121.10125	10.4
123.11693	6.3
123.78388	2.2
131.08559	3.4
133.10106	22.1
147.11664	86.3
161.13225	18.6
163.14781	6.1
165.05861	2.3
175.14749	3.2
197.91035	2.3
203.17928	100.0
203.19855	4.8
250.62796	2.3
255.12433	2.6
321.24115	2.3
372.35538	2.1
379.63364	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	498.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.7
57.07079	5.7
67.05504	9.1
69.07052	5.3
69.83439	12.3
71.08625	6.7
72.76390	4.4
79.05485	6.2
81.07043	13.6
83.04948	18.4
89.06053	6.2
91.05455	9.6
93.07040	12.9
95.08604	24.7
98.22820	7.9
99.74403	4.4
102.08313	4.3
105.07019	47.9
107.08584	13.6
109.10146	14.2
119.08543	28.4
121.10133	15.0
133.10121	24.5
147.11676	77.8
161.13252	13.4
163.14702	5.5
188.43489	5.1
203.17931	100.0
206.96799	5.1
209.65298	4.9
259.35547	4.4
269.24200	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	498.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.5
57.03438	7.0
67.05499	44.4
69.07050	16.5
70.54675	3.8
71.04990	4.4
79.05486	24.4
81.07050	58.6
83.04977	6.0
83.08609	13.0
85.06521	3.4
86.19482	2.1
91.05480	23.9
93.07035	40.7
95.04965	4.5
95.08588	16.4
97.06521	8.3
101.05982	2.7
105.07046	12.1
107.08575	25.8
109.06461	2.7
109.10128	4.5
111.08033	4.4
117.06990	13.1
119.08565	6.4
121.06509	2.3
121.10117	12.9
123.11652	4.2
125.09587	2.0
129.07011	5.4
131.08551	15.2
133.10115	13.6
135.11653	4.5
143.08510	2.9
144.57408	2.1
145.10089	15.5
146.10486	6.1
147.11748	2.8
149.09674	2.2
149.13237	15.5
159.11714	13.4
160.12024	2.3
163.03920	3.3
177.12788	2.7
195.13789	11.8
201.16391	9.8
202.16711	11.0
213.14813	2.8
225.62224	2.2
237.89883	2.3
269.17447	59.0
353.24872	2.2
371.25656	5.3
420.14374	2.5
445.29352	12.4
463.30478	100.0
464.31046	4.4
492.87152	2.1
498.30170	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	498.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15606	0.8
54.85246	0.9
55.05504	4.9
57.07065	7.4
67.05504	4.3
69.07071	5.7
69.15745	5.6
72.51669	0.9
73.23042	0.8
79.05502	2.8
81.07047	7.7
83.04980	10.2
83.08620	2.8
85.06524	2.6
91.05468	8.9
93.07030	7.9
95.04946	1.8
95.08598	9.1
104.49773	0.8
105.07021	19.7
105.07742	1.3
107.08587	9.6
109.10146	4.4
115.05421	1.5
117.07000	17.1
119.08554	11.8
121.10133	5.5
123.11718	1.0
125.09629	1.0
128.06265	0.8
129.06989	1.7
129.38550	0.8
130.07773	6.1
131.08559	14.6
133.10129	5.2
135.11674	1.8
143.08530	2.0
144.09322	1.7
145.10104	65.7
146.10533	1.7
147.11606	1.5
157.10141	1.6
159.11681	22.9
161.13246	8.8
163.11189	1.1
173.13229	3.2
175.14868	0.9
177.12692	1.3
185.11728	1.0
191.17923	1.0
201.16356	100.0
202.16695	3.6
219.17412	6.0
498.36020	1.8
513.21143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37683	0.7
55.05503	2.6
57.07071	37.2
67.05488	1.3
69.07062	2.7
69.96680	0.7
71.08625	25.0
71.44207	0.7
73.06543	6.3
81.07069	1.2
83.08610	2.9
85.10175	21.3
87.04462	4.2
89.06023	100.0
91.07622	1.1
95.08593	1.1
97.10162	4.0
99.11710	4.1
107.07052	2.8
113.13307	1.4
117.09103	4.0
130.08620	1.6
131.07025	1.0
133.08592	48.5
135.10185	0.8
151.09665	0.9
155.17917	5.0
161.11742	1.0
162.97688	3.8
177.11192	20.9
199.20518	6.3
221.13832	3.0
239.14903	2.6
243.23184	7.7
255.63293	0.7
283.17474	2.2
287.25739	5.3
327.20062	8.9
337.27286	2.5
349.29318	0.9
393.32132	1.0
437.34912	1.2
481.37360	12.3
498.40369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.9772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	4.8
60.68095	0.7
68.71661	0.7
69.44314	0.8
76.35026	0.7
97.02905	2.0
98.97575	22.7
116.98620	13.8
128.98578	1.0
130.93314	3.6
134.99649	5.0
148.94351	1.5
151.43909	0.7
172.94362	10.3
174.97722	2.5
190.95387	10.6
192.98779	2.1
198.60095	0.7
206.93391	2.5
208.96495	2.9
214.95467	5.1
214.96771	2.3
216.98674	2.1
219.01859	1.1
224.94595	1.0
228.70724	0.8
230.93353	13.5
232.96503	27.4
234.99805	2.3
238.96507	3.3
240.98277	1.1
242.96062	2.8
248.94461	15.5
249.94576	1.0
250.97559	13.8
252.98026	1.8
256.96783	10.0
257.97134	0.9
258.99789	2.2
261.03192	1.2
262.03400	0.9
263.03113	1.0
264.98090	5.2
266.95551	5.7
270.99261	2.4
272.94424	20.2
274.97635	31.7
275.97910	2.0
276.97977	1.5
277.00903	2.8
279.00928	1.2
280.97614	4.8
282.99329	2.1
284.99582	0.9
288.92429	1.6
290.95499	33.2
292.98660	11.1
294.99124	3.0
296.94537	1.2
298.97797	18.4
301.01071	1.2
303.00894	1.8
304.97754	4.1
306.93433	2.3
308.96564	8.4
309.96201	0.8
313.00137	0.9
314.95441	27.2
315.95367	2.2
316.98788	25.4
317.99005	1.5
322.98419	2.7
330.93433	2.7
332.96530	42.4
333.96698	2.4
337.00162	1.4
340.99255	1.9
348.94562	4.6
350.97580	3.4
354.94244	1.0
356.96432	6.5
359.00018	1.3
372.94611	7.0
374.97559	14.9
375.97797	0.9
379.01340	2.2
390.95572	13.1
392.98499	2.4
396.94696	1.7
397.02200	11.7
397.06830	1.2
414.95529	8.0
415.03406	8.7
415.95847	1.6
432.96622	15.2
433.04355	9.6
433.96512	1.1
438.95673	6.3
439.03131	2.1
456.96640	100.0
457.03391	3.5
457.96878	9.0
474.97760	39.3
475.05243	2.4
475.97681	3.5
492.98718	1.6
497.99234	2.3
498.97849	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	499.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10239	6.8
63.14766	7.0
69.03403	9.4
69.16665	39.5
70.06590	70.5
71.98958	7.1
74.88519	8.0
85.02879	12.3
86.09702	32.4
89.03928	9.6
100.11243	15.1
107.57658	7.1
111.04478	10.0
121.02847	53.7
122.03232	20.5
135.04448	10.4
137.14333	6.9
145.02844	8.1
163.03912	71.3
184.26054	8.3
185.07132	7.0
190.16832	7.9
213.06458	14.1
213.15804	10.2
215.13956	57.7
231.07477	17.7
259.07132	29.8
277.08212	8.5
286.17493	12.4
305.07727	41.7
455.13034	12.1
467.11139	9.4
499.11877	100.0
499.22214	74.4
500.12177	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	499.121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62337	0.5
55.64048	0.5
66.55901	0.5
69.03411	0.6
69.35523	1.3
69.35916	1.2
81.03393	0.7
81.07059	0.7
82.46693	0.5
85.02873	0.9
91.05477	1.9
95.74063	0.5
127.00053	0.6
127.03960	0.9
143.01094	0.6
147.37509	0.5
159.08009	0.6
167.03149	0.9
177.09081	1.3
185.04263	1.8
205.12193	0.7
227.05235	3.3
233.15404	3.0
250.05891	1.0
251.06776	7.5
251.16316	0.9
271.04187	8.5
279.06207	1.4
413.12027	5.6
455.13083	47.0
456.13464	1.9
499.12045	100.0
500.12466	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	499.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08012	0.9
69.44801	0.9
69.78552	3.8
83.42120	0.9
84.08131	1.1
105.43476	1.2
118.36841	0.9
157.42197	1.2
222.98877	1.0
252.10831	1.1
289.36646	1.0
353.12122	3.3
362.42896	1.1
413.11145	2.1
455.13007	7.9
499.11902	40.8
499.17737	100.0
500.11975	2.2
500.18124	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	499.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79226	0.7
52.85758	0.7
61.91418	0.6
63.02318	0.8
69.04497	1.3
69.04842	0.9
69.37624	2.8
70.06515	3.6
72.18902	0.8
79.05415	2.1
81.03346	1.4
81.04533	8.8
82.05249	2.4
83.06035	2.0
84.04459	0.8
85.02834	1.7
89.03910	12.3
95.04923	1.1
97.03979	1.4
107.04955	4.2
109.03968	3.7
110.04712	3.2
111.05556	44.6
112.07569	1.5
113.03423	2.4
116.07046	0.8
117.03375	13.9
121.02837	1.6
125.09500	0.8
127.03847	1.3
130.06409	1.1
135.04408	25.8
137.03445	1.2
139.03790	1.0
140.06969	1.2
141.06544	0.8
145.01692	1.0
145.02837	19.5
145.03874	0.9
146.87880	0.6
147.04361	1.5
149.02315	1.0
153.05544	1.0
157.07611	2.1
160.82458	0.7
161.07031	1.1
163.03891	100.0
164.04250	1.6
169.07578	0.7
175.08777	1.0
177.01860	3.2
177.05420	1.5
181.04961	1.1
184.06349	1.3
185.07173	4.2
187.08687	1.5
195.02983	1.0
196.06313	1.0
197.07088	2.3
199.05096	0.8
199.08734	2.4
201.06622	1.3
202.07219	1.1
203.08128	7.8
209.04437	4.9
211.02153	0.7
211.08607	0.8
212.05881	3.3
213.06583	11.2
214.05119	1.4
214.07437	1.2
215.04549	1.0
215.08211	2.8
216.08803	1.0
217.06236	1.2
217.09854	1.5
218.10417	0.7
224.05872	1.2
225.06662	0.9
227.08092	6.3
228.06718	1.3
229.06154	3.1
229.09634	1.4
230.06841	6.5
231.07608	6.9
231.09259	0.7
233.09351	1.3
240.05296	1.4
241.06059	7.5
242.06851	2.4
243.07617	4.8
245.05571	0.8
245.09193	8.6
245.11183	0.7
249.08723	0.7
255.07536	3.8
257.09348	1.7
258.06448	1.1
259.07132	6.4
268.04880	1.2
269.05804	2.2
273.08652	21.2
277.08093	5.2
279.09824	0.9
283.07458	0.7
287.06900	2.3
291.09714	9.8
301.08459	2.6
305.07675	28.3
306.08234	1.0
319.09259	13.3
337.10278	49.2
338.11038	1.8
363.48926	0.9
481.17722	1.5
499.18756	40.8
500.18900	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34204	1.0
55.05507	1.5
61.98846	1.4
69.03428	1.8
69.04563	2.3
69.75626	4.7
70.06570	1.8
71.04989	1.3
79.05510	2.7
81.03410	2.3
81.04536	13.0
83.06109	1.9
85.02896	2.1
89.03905	11.7
91.05472	1.4
95.04961	2.1
97.02895	1.2
97.04009	5.1
100.11253	5.2
107.04955	3.6
109.02940	1.4
109.04022	2.1
110.07137	1.7
111.05550	13.1
117.03378	14.6
119.08575	1.7
123.70074	1.3
125.07068	2.6
127.03967	2.2
128.10744	1.5
129.66599	1.1
135.04411	26.7
137.05968	1.2
139.03935	2.9
139.04977	2.0
145.02824	17.8
145.03787	1.7
147.04433	1.2
148.04558	1.2
157.07655	2.2
158.06091	1.9
163.03893	100.0
164.04297	1.6
174.07841	2.5
175.08784	1.6
176.07039	2.0
185.07111	4.3
186.05518	2.5
197.07285	1.4
202.07307	5.6
203.08131	30.5
204.06566	2.9
213.06577	17.0
214.04921	1.3
215.08176	5.7
230.06685	1.4
231.07626	33.6
233.15408	1.8
241.06091	6.4
243.07874	1.5
245.06313	1.2
259.07098	22.1
269.05582	1.6
277.08179	26.7
287.06537	4.6
289.05255	1.6
291.06216	1.1
291.09772	6.6
292.34604	1.3
305.07645	34.9
319.09198	2.7
337.10242	57.6
413.21094	1.3
439.11234	2.7
454.21246	3.5
455.22275	5.9
467.10852	9.9
481.19434	3.9
498.20227	17.5
498.40610	1.8
499.21173	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14925	0.5
61.41298	0.6
65.03926	0.6
69.03385	0.5
70.06562	1.4
70.45301	0.4
81.04491	0.6
82.05306	0.5
83.06055	0.9
85.02871	1.0
92.04949	1.1
96.08100	0.6
110.07089	0.5
111.05562	12.4
117.03364	0.8
121.02815	1.0
124.07565	1.1
126.09099	1.8
129.07539	0.5
135.04329	1.7
138.09070	0.8
145.02794	0.8
152.07034	6.2
163.03867	4.4
166.04987	11.4
176.03297	2.1
182.04361	2.1
194.04468	0.7
209.04343	0.6
213.06390	0.8
213.10379	0.5
219.02859	1.1
220.03116	0.9
221.03040	0.7
222.93817	0.5
225.10030	0.6
245.09116	0.5
253.09398	0.6
255.10925	0.9
271.10526	2.2
273.08548	1.0
273.12128	0.5
283.10773	7.7
284.18362	0.5
289.11746	1.2
301.11841	6.3
305.07446	1.3
319.12839	19.6
320.13138	0.8
337.10068	1.9
499.13651	100.0
500.13882	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	499.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96132	1.3
65.03939	1.0
70.00723	1.4
70.01051	3.0
85.02889	2.3
92.04987	1.9
96.08112	2.4
111.05540	7.2
124.07541	1.2
126.09137	3.9
148.03925	1.1
152.07036	10.6
163.03874	4.3
166.04970	20.9
175.03706	3.1
176.03442	3.3
177.29817	1.0
182.04509	3.4
194.04512	3.6
198.07713	1.1
209.04501	1.0
219.03020	1.3
220.03090	1.2
225.10149	1.2
227.11841	1.0
228.10381	1.2
237.07413	1.3
240.09065	1.1
253.09833	1.5
271.10721	3.6
283.10760	16.7
285.09250	1.8
289.11777	3.0
301.11737	13.3
319.12836	35.1
337.10410	1.8
405.19666	1.1
499.13831	98.0
499.17609	100.0
500.14444	3.7
500.17731	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.6
58.45260	0.6
60.43662	0.6
61.46373	0.6
69.92163	1.9
70.06585	1.6
74.47038	0.6
81.03426	0.6
81.04546	2.0
85.02880	1.0
89.03902	3.1
102.93797	0.6
103.05230	0.6
107.04980	0.6
109.04027	0.8
111.05540	5.6
113.03468	1.1
114.96656	0.5
117.03403	2.4
135.04408	7.0
145.02858	4.8
157.07573	0.8
163.03888	25.6
167.88509	0.6
203.08145	1.3
209.82347	0.7
212.05772	0.8
213.06602	2.4
227.08174	0.8
231.07664	1.9
241.06264	1.5
243.07762	0.8
245.09221	1.4
259.07239	2.1
267.61731	0.7
269.05713	0.8
273.08621	3.1
277.08243	0.9
287.06827	0.8
291.09723	1.3
305.07669	7.7
308.49142	0.6
319.09332	1.9
337.10318	9.4
367.14999	0.6
374.60870	0.6
381.11353	0.8
455.15155	0.7
481.16888	3.6
499.17957	100.0
500.18457	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	499.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47455	0.4
64.75235	0.4
65.70020	0.4
65.77293	0.4
70.06588	1.0
70.81040	0.7
73.28293	0.4
81.04530	2.4
82.05337	0.5
83.06114	0.9
85.02907	0.7
89.03918	2.9
95.02511	0.4
97.04017	0.5
99.60999	0.4
104.27541	0.4
107.04975	0.8
109.04006	0.9
110.04771	1.3
111.05560	10.7
111.06274	0.7
113.03432	0.5
117.03356	3.6
120.20604	0.4
121.02049	0.4
121.02853	0.5
127.03937	0.4
130.06512	0.4
135.04395	6.8
137.03503	0.5
145.02841	4.9
145.03914	0.6
147.04501	0.4
149.02359	0.5
157.07596	0.5
163.03893	24.8
164.04314	0.5
169.04651	0.3
177.01865	0.8
180.01743	0.4
185.07146	1.4
197.07103	0.7
199.08716	0.6
201.06522	0.5
203.08188	1.4
209.04552	1.1
212.05850	0.7
213.06628	2.3
215.08240	0.9
227.08215	1.7
229.06232	0.9
230.07018	1.0
231.07716	1.4
233.09279	0.4
241.06165	1.4
242.06949	0.7
243.07707	1.3
245.09268	1.5
255.07758	1.1
258.06458	0.5
259.07211	1.4
269.05530	0.7
273.08612	5.0
277.08344	1.1
279.09686	0.6
285.09460	0.5
287.06750	0.6
291.09778	2.0
301.08255	0.9
305.07675	6.8
319.09204	3.3
337.10281	12.2
441.13834	0.9
455.15469	0.5
481.16949	3.5
499.17963	100.0
500.18362	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	499.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34282	0.5
56.83737	0.4
58.17916	0.5
60.89895	0.6
67.05509	0.6
67.36240	0.4
68.17978	0.4
69.18111	1.2
69.18534	2.1
79.37025	0.6
84.08152	0.8
89.04509	0.5
94.95718	0.5
98.22691	1.1
114.75912	0.5
137.06012	0.6
158.70798	0.6
163.03989	1.0
203.24376	0.5
237.02890	0.6
302.69659	0.7
305.07974	1.0
311.08279	0.5
353.12036	2.4
374.01065	0.6
413.11386	0.9
436.46832	0.5
455.13278	3.1
499.12488	10.3
499.18042	100.0
500.12213	0.9
500.18454	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	499.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	4.1
69.03411	1.6
69.21429	4.2
77.74891	1.0
79.05482	1.0
80.05018	2.0
80.65705	1.0
81.03408	1.7
81.05803	1.2
81.07078	1.1
82.06561	2.9
85.02896	4.2
86.06075	0.9
89.03917	1.0
92.05015	5.2
95.04993	1.0
96.08114	5.2
97.02849	1.8
108.08122	1.5
111.05560	1.1
120.37637	0.9
121.06503	1.4
122.06850	1.4
124.07574	5.2
126.09158	10.6
135.04437	1.2
138.05479	1.0
138.09181	2.8
145.02808	1.6
145.10036	1.2
147.04428	3.0
148.03920	3.6
150.05545	1.7
150.09145	1.4
152.07057	29.5
159.08046	1.8
163.03859	5.2
166.04977	55.5
176.03427	9.4
182.04488	10.0
194.04546	6.4
197.78528	1.0
199.08633	1.6
200.10724	1.1
209.10748	1.3
210.07721	1.3
211.08684	1.1
212.09360	2.8
213.10307	1.2
215.08139	1.4
225.10210	3.9
226.10880	1.7
227.08144	1.6
227.11690	5.2
228.10228	2.1
229.13339	1.5
231.07625	1.5
233.09244	3.0
240.08937	2.3
242.10498	2.1
243.11220	1.4
253.09734	3.3
255.11241	5.7
257.12857	1.7
259.07092	3.3
270.09808	1.2
271.10764	9.9
272.09036	1.3
273.08752	2.6
273.12299	4.3
283.07584	2.2
283.10748	42.4
284.11093	1.2
289.11795	7.4
301.11777	36.1
302.12128	1.1
305.07681	1.9
318.15552	1.0
319.12854	100.0
320.13147	3.2
337.10150	1.7
499.19208	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	499.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49915	0.7
65.03944	0.7
69.03413	1.3
70.06588	1.3
70.81581	1.4
79.05511	1.0
85.02911	1.7
92.05015	2.4
96.08136	2.0
111.05547	4.6
124.07576	2.4
126.09180	5.5
128.13400	0.7
138.09171	1.5
148.03987	0.8
149.34950	0.9
152.07054	14.7
163.03851	3.6
166.04994	25.6
176.03403	4.0
182.04485	5.0
194.04433	3.4
209.10806	1.0
212.09288	1.6
225.10129	1.5
226.10989	1.0
227.11848	1.5
228.10127	1.2
229.13322	1.1
245.09085	0.8
253.09633	1.5
255.11330	2.7
257.13028	0.9
259.07141	1.6
270.09897	0.8
271.10773	5.9
272.09116	1.2
273.12097	1.2
283.10776	20.9
285.09601	0.8
289.11765	2.0
301.11819	20.1
302.12234	0.8
305.07828	0.8
319.12863	50.0
320.13055	1.7
387.63931	0.9
481.18213	0.9
482.47403	0.7
499.14328	100.0
500.13455	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	499.215
Annotation	Conivaptan
Peak:m/z	Relative Intensity
55.42401	0.4
67.05499	0.5
67.22395	0.4
69.03444	0.6
70.06577	0.6
71.41899	0.6
81.07037	0.6
85.02916	1.0
87.06272	0.4
91.05479	0.5
93.07048	0.5
99.08115	1.0
105.07042	0.5
107.08572	0.8
111.05588	0.5
119.08555	0.9
119.72917	0.4
121.02870	0.7
127.03893	0.8
130.68867	0.4
133.10153	1.4
142.07777	0.6
148.36911	0.4
163.03902	1.2
203.05368	0.6
214.23695	0.4
215.14169	0.5
227.05275	1.0
233.15221	2.2
245.06358	1.8
251.16248	2.6
271.04276	1.1
279.15732	0.7
289.05255	6.8
395.20453	0.8
413.21381	10.3
437.21271	1.2
455.22479	34.2
456.22937	1.4
481.20508	1.3
484.04602	0.5
499.21466	100.0
500.21967	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	499.2149
Annotation	Conivaptan
Peak:m/z	Relative Intensity
56.24601	0.5
69.03440	0.7
69.07072	0.8
69.32362	2.5
81.03392	0.7
81.07021	0.9
85.02902	0.6
91.05516	0.6
109.10127	1.1
118.19125	0.6
119.08539	1.2
121.10159	0.7
131.08513	0.5
139.45197	0.6
163.03853	0.6
177.09131	0.6
233.15262	1.0
245.06491	0.8
251.16185	8.2
263.68622	0.5
279.15747	2.1
395.20450	1.3
413.21429	12.9
437.21524	0.7
455.22473	37.3
456.23117	2.1
499.21451	100.0
500.22037	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	499.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
67.05489	2.2
69.03430	1.8
69.07034	1.2
78.43013	0.7
79.05476	1.6
81.03405	1.1
81.07040	7.0
82.95057	0.8
83.04979	0.8
83.06519	0.7
85.02881	1.8
87.00803	0.9
93.07036	1.1
95.04953	2.5
95.08591	2.8
105.06980	2.1
107.08578	2.4
109.06480	0.9
109.10130	1.6
114.21889	0.8
116.02124	0.6
119.08602	1.3
119.98082	0.8
121.06483	0.8
121.10130	2.0
123.08060	1.5
127.03925	1.8
131.08539	0.9
133.10049	1.1
135.08089	1.5
137.09624	1.1
145.10086	2.4
147.11652	1.5
149.09601	2.0
151.07539	6.3
153.09143	1.2
159.08064	1.3
163.07516	3.0
165.09097	2.4
177.09099	1.0
178.09863	0.9
183.22098	0.7
187.14771	2.2
191.14255	1.0
205.15881	2.4
209.20964	0.8
218.12988	2.4
227.95898	0.8
233.15343	100.0
234.15648	4.3
251.16408	8.4
288.42618	0.8
288.89862	0.8
391.75882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01854	1.7
55.05494	1.9
55.42164	0.5
57.03413	1.4
57.07075	0.5
61.02917	0.8
67.05493	1.2
68.99770	0.7
69.03428	4.7
69.07059	2.2
70.01605	0.5
70.01949	1.1
71.04977	0.7
73.02916	0.6
79.05505	2.4
81.03413	5.2
81.07056	2.8
83.04976	2.7
83.08608	1.5
85.02899	9.9
87.00819	4.6
87.86236	0.4
91.03947	0.6
91.05437	2.4
93.07039	3.5
95.04955	1.2
95.08591	3.2
97.02885	2.5
97.06532	2.7
99.04429	1.9
99.08090	1.0
105.01868	2.4
105.07018	3.1
107.04906	0.8
107.08579	8.6
109.02846	3.6
109.06480	1.2
109.10162	2.6
115.05386	0.9
117.06989	1.2
119.08596	3.5
121.06479	1.3
121.10134	4.0
123.04478	0.5
123.08040	1.2
127.03887	4.3
129.01707	0.5
131.08536	3.6
133.06453	0.5
133.10109	1.7
135.04404	0.6
135.08035	9.5
135.11638	1.2
137.09592	2.6
143.08548	0.7
145.04932	1.5
145.06445	1.3
145.10106	5.3
147.07999	0.9
147.11687	3.3
149.05992	1.0
149.09607	3.0
149.13199	0.6
151.07581	0.5
157.10139	0.8
159.02898	2.4
159.08005	2.2
159.11671	1.9
161.13287	0.9
163.07530	22.2
163.11221	2.2
163.14772	1.0
163.97116	0.5
165.09071	0.5
173.09489	0.9
173.13281	1.0
175.11118	1.3
177.09082	7.9
177.16356	2.2
187.14784	4.0
190.13501	0.5
191.10603	0.7
191.14282	1.6
203.14314	1.7
205.15860	24.5
211.13484	0.5
215.14304	3.9
227.00192	0.4
231.05090	0.5
233.15334	55.4
233.43156	0.5
234.15608	2.3
251.16391	100.0
252.16762	3.7
298.12085	0.5
311.03485	0.4
499.19299	9.0
499.26007	0.9
500.19293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63522	1.6
62.30848	1.5
67.05483	2.1
79.05479	2.5
81.07066	2.4
86.09698	5.2
87.65775	1.6
91.05447	2.9
95.04937	2.0
95.08604	2.5
119.08637	2.1
141.05254	1.9
157.09906	1.8
249.10953	100.0
273.14603	46.9
356.20587	1.9
377.95044	2.2
404.30231	1.8
456.21838	6.2
499.26578	13.1
500.31485	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	499.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.3
55.01860	8.6
55.05499	28.8
57.03436	31.3
57.07054	13.6
60.08152	13.7
61.02925	57.0
67.05503	100.0
69.03415	28.8
69.07073	44.6
71.08629	6.7
72.79060	5.7
73.02897	28.4
79.05495	35.3
81.03414	25.2
81.07047	95.6
83.04977	9.2
83.08601	25.1
85.02895	70.7
86.09706	35.8
87.10029	14.5
91.03951	35.1
91.05468	23.3
93.07045	30.1
95.04927	7.6
95.08604	72.0
97.02885	36.2
97.10169	13.0
99.04454	19.4
103.03925	9.9
104.10741	72.3
105.07033	17.9
105.11078	29.0
106.11209	7.1
107.08578	23.6
109.02860	7.8
109.10168	31.2
117.06996	8.7
119.08529	14.2
121.10136	15.0
123.11716	10.4
125.00000	15.1
127.00443	7.4
127.03913	22.4
129.05493	6.6
131.08572	8.8
133.10114	8.5
135.11665	11.9
137.13197	11.8
145.04955	6.6
147.11688	8.0
149.13258	9.0
158.30522	5.4
161.87917	5.5
162.97639	16.2
165.12721	6.3
174.70326	6.4
184.07303	43.9
185.07713	15.9
186.07690	33.3
225.05544	5.8
245.22644	11.0
263.23651	17.2
321.62442	6.0
337.27267	80.1
359.25381	7.5
434.26166	6.3
460.22449	6.6
488.64459	6.3
499.33856	25.0
502.76047	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	499.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84996	0.3
55.05493	1.2
56.69918	0.3
57.03422	0.4
57.07067	0.5
57.52978	0.3
57.69751	0.2
59.63462	0.2
67.05499	2.2
68.50874	0.3
69.03413	0.4
69.07056	1.2
79.05487	2.7
81.07053	3.8
83.04957	1.3
83.08601	1.0
91.05468	4.1
93.07038	4.6
95.04964	0.9
95.08598	6.0
97.06524	0.6
98.23412	0.9
105.07021	6.9
107.04961	0.7
107.08588	6.9
109.06502	0.9
109.10146	2.8
111.08088	0.8
115.05489	0.4
117.07017	1.1
119.06075	0.3
119.08568	8.8
121.06538	1.6
121.10135	4.5
123.08043	0.8
123.11681	0.8
128.06232	0.5
129.07016	0.9
130.07761	0.3
131.08562	3.5
133.06480	6.3
133.10120	5.8
133.11137	0.3
135.08040	37.3
135.11655	1.2
136.08337	0.5
137.09645	0.7
137.13219	0.3
142.07745	1.1
143.08551	2.1
144.09412	0.5
145.06450	0.4
145.10126	4.6
147.08022	4.6
147.11670	3.7
149.09604	5.2
149.13249	0.7
151.11217	0.6
155.08519	0.8
156.09355	0.7
157.10109	3.9
159.08061	1.4
159.11678	3.9
160.08830	0.3
161.09601	7.2
161.13304	1.8
163.11124	0.7
163.14752	0.5
169.10077	1.2
170.10898	0.4
171.11644	3.0
173.09636	1.6
173.13255	2.6
174.10472	0.3
175.11176	8.2
175.14758	1.4
176.11522	0.4
177.12712	0.7
177.16379	0.4
181.10043	0.3
183.11755	1.4
185.09537	0.6
185.13252	2.3
186.10307	0.3
187.11134	1.0
187.14796	1.7
189.12724	3.0
189.16341	1.9
195.11667	0.6
197.13210	0.8
199.11183	0.4
199.14832	1.2
201.12781	1.9
201.16376	1.0
203.14293	13.7
204.14684	0.4
205.15919	0.5
209.13203	0.4
211.14775	0.6
213.12758	0.5
213.16379	1.3
215.14328	1.2
215.17903	0.6
217.15848	7.2
219.11482	0.4
225.12704	0.4
225.16367	0.4
227.14313	0.4
227.17859	0.5
229.16089	0.4
231.17393	0.8
237.16397	0.4
239.17967	0.4
241.15976	0.5
243.17416	0.6
249.12892	0.3
251.17928	0.4
255.17540	0.5
257.19022	0.4
265.16046	0.3
265.19366	0.3
269.19037	0.9
333.22058	0.6
351.23163	0.4
388.78461	0.3
393.31665	0.3
403.29941	1.4
421.31131	1.7
456.28525	0.4
481.33136	0.9
499.34122	100.0
500.34488	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	500.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34561	1.4
54.98144	1.6
56.62074	1.5
57.03418	1.4
65.03932	4.0
67.05501	2.5
69.03419	1.5
69.24567	7.5
72.96458	1.7
81.03414	6.7
83.04976	14.0
85.02889	9.7
86.98767	1.8
91.05486	4.1
93.03426	1.7
95.04986	1.8
97.02888	2.6
99.04466	3.3
105.96857	1.7
108.02111	3.0
109.02872	3.2
111.04451	10.9
117.17418	1.7
119.38932	1.5
119.80557	1.5
125.05996	3.0
127.03856	2.2
129.05466	2.1
132.87231	1.8
133.31166	1.4
151.03899	100.0
151.04912	5.0
151.07513	4.7
169.04941	12.6
171.06509	17.4
181.05074	2.2
295.08093	8.7
304.95221	1.7
313.09146	7.1
333.11859	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.5
53.03936	6.1
55.01857	2.6
55.05296	1.4
55.05511	16.6
58.98891	1.3
65.03926	5.5
67.05505	16.7
69.03422	8.3
69.07064	8.2
69.23336	5.3
69.23740	3.0
71.04993	1.7
73.48436	1.3
75.98251	1.6
77.03915	4.1
79.05482	18.9
81.03413	5.6
81.07052	33.1
83.04955	3.5
83.08624	3.3
85.02900	18.6
87.00820	10.2
91.05472	61.6
93.03394	13.9
93.07037	53.3
94.70001	1.6
95.04959	16.6
95.08596	37.6
97.02889	11.4
97.06504	2.6
97.10156	1.8
99.04459	1.8
103.05450	5.6
105.01870	16.7
105.04503	5.6
105.07024	81.1
107.04926	3.0
107.08584	35.3
109.02879	5.4
109.06503	8.1
109.10155	13.5
111.08108	4.0
115.05428	2.9
116.31413	1.3
117.06995	14.9
117.96941	1.5
119.04931	1.9
119.08572	100.0
120.08939	3.2
121.06496	64.2
121.10140	11.5
123.08071	7.6
123.11681	4.4
125.09588	3.3
127.03909	17.5
128.06218	18.7
129.06999	18.9
130.07788	3.0
131.08566	30.8
133.06555	3.0
133.10120	48.5
135.08075	5.1
135.11673	4.0
137.09593	2.3
141.06979	4.3
141.51697	1.5
142.07750	22.8
143.08549	53.9
144.09357	7.1
145.04936	6.5
145.10120	29.2
147.08037	4.1
147.11676	26.4
155.08498	7.3
156.09317	7.4
157.10115	54.6
158.10703	3.9
159.02928	3.0
159.11674	49.3
160.12097	1.6
161.09615	12.0
161.13231	10.7
169.10135	5.9
170.10870	3.3
171.11673	18.8
173.13261	13.1
175.11186	4.1
175.14786	3.6
184.12456	4.9
189.16364	27.2
199.14796	76.5
200.15102	1.9
201.16481	1.6
217.15866	51.8
231.04980	4.5
243.92036	1.6
249.06155	3.2
295.59900	1.7
313.85806	1.5
512.21124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65665	6.5
53.03936	9.8
55.05495	12.1
56.18817	6.6
56.49607	6.3
65.95963	6.1
67.05490	27.7
68.59425	6.5
69.03420	26.8
69.07062	15.0
75.27734	6.7
76.15793	7.3
79.05484	28.6
81.03399	22.5
81.07050	55.2
83.05012	6.7
85.02899	45.5
87.00808	19.3
89.27483	6.9
91.05481	52.8
93.07058	51.4
95.04946	48.7
95.08598	53.1
97.02885	6.9
98.24731	6.4
99.04465	18.7
105.01860	11.8
105.07026	91.1
107.08583	33.4
109.02860	22.3
109.06512	74.4
109.10143	22.9
117.07008	26.8
119.08581	75.3
121.06494	14.5
121.10125	50.1
127.03907	18.9
128.06223	17.2
128.88597	7.7
129.06975	32.1
131.08562	56.0
133.10130	51.6
135.08035	8.5
142.07776	26.1
143.08569	57.9
145.04880	8.8
145.10120	35.0
147.11674	28.0
156.09303	10.3
157.10107	89.0
159.02853	8.6
159.11678	74.9
161.09578	21.6
161.13255	20.0
169.10182	8.8
171.11598	10.6
173.13266	15.0
189.16367	60.0
199.14812	100.0
203.14192	7.3
217.15884	75.1
219.27222	7.2
231.04898	12.7
316.47800	7.9
422.22263	7.8
477.56201	8.7
500.21136	22.3
500.28989	8.0
518.89685	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	500.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01859	3.0
55.05506	9.8
57.03420	3.1
57.07061	1.0
59.04981	2.1
61.02910	1.2
65.03925	3.1
67.05499	15.7
67.96389	1.1
69.03429	4.1
69.07059	4.9
71.04991	7.3
71.41238	1.4
77.03893	1.5
79.05049	1.6
79.05485	25.1
81.03396	2.8
81.07047	22.6
83.04974	11.3
83.08603	1.1
85.02880	2.0
85.06520	4.5
87.04457	1.7
89.05984	1.8
89.36497	0.9
89.91158	1.1
91.05471	66.0
93.07032	34.9
94.74261	1.1
95.04961	37.0
95.08589	12.3
97.06512	10.9
99.04441	4.3
101.05994	2.3
103.05433	6.1
105.04510	2.4
105.07020	97.2
106.07352	1.8
107.04939	5.7
107.08581	20.8
109.02915	0.9
109.06498	13.4
109.10123	2.5
111.04434	2.3
111.08033	2.0
113.05947	1.4
115.05432	15.9
116.06223	4.4
117.07008	49.0
118.07301	1.1
119.04937	4.4
119.08569	36.0
120.08868	1.1
121.06483	11.7
121.10120	8.4
123.08063	6.0
125.06003	2.4
127.03841	1.4
128.06203	26.8
129.06993	50.6
130.07796	13.9
131.04878	1.2
131.08554	79.4
132.08864	1.1
132.84265	1.0
133.06479	16.0
133.10109	35.0
135.04413	3.4
135.08043	9.0
135.11674	5.3
137.05943	1.2
137.09592	4.9
141.06966	7.8
142.07758	15.5
143.08545	66.2
144.09242	3.6
145.06454	7.6
145.10107	100.0
146.10472	2.3
147.08044	13.9
147.11655	9.6
147.68394	1.0
149.06044	1.2
149.09598	7.8
151.07527	3.9
153.06943	4.0
154.07747	3.5
155.05997	3.3
155.08536	25.5
156.09317	11.2
157.06485	1.3
157.10106	26.9
158.07268	3.3
158.10797	2.2
159.08061	6.8
159.11681	20.6
161.09596	25.7
161.13243	9.3
163.07559	2.6
163.11154	10.4
165.06989	5.4
167.08577	1.2
168.09213	1.2
169.10060	8.6
170.10910	5.4
170.84697	1.1
171.08046	4.7
171.11664	27.0
173.09598	75.0
173.13187	7.7
174.10020	1.9
175.07516	1.7
175.11169	8.0
175.14778	4.7
177.12726	2.3
179.10622	2.9
180.09335	4.4
183.11652	3.6
185.09586	2.8
185.13245	28.5
187.11163	10.0
189.09093	2.4
189.12721	13.7
191.10645	24.9
191.14301	1.6
195.11650	10.9
198.10373	2.3
199.14792	1.6
201.12703	11.1
203.10555	1.2
203.14301	18.6
204.14653	1.5
205.12238	3.1
207.13831	1.6
209.11647	2.6
213.12720	30.4
217.15837	1.7
219.13765	7.7
221.15341	1.2
223.27693	1.0
230.45981	1.1
231.13780	42.7
232.14030	1.5
249.14803	17.2
267.15793	2.6
380.37885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	11.0
57.03427	4.1
65.10236	2.8
67.05501	12.3
69.03428	7.4
69.07068	5.6
69.20028	15.7
70.06586	3.4
71.04980	11.6
77.94917	2.5
79.05486	23.3
81.03400	3.5
81.07056	20.8
83.04970	10.6
85.02890	4.2
85.06525	5.9
87.00800	4.2
91.05474	58.1
91.76219	3.2
93.07037	33.0
93.60978	2.4
95.04962	21.2
95.08601	12.1
97.06528	6.6
98.22651	4.6
99.04424	14.0
101.06011	3.7
103.05515	3.9
105.04468	3.5
105.07023	85.1
107.08582	21.4
109.06517	11.5
115.05457	13.7
116.06237	3.5
117.07003	43.4
119.08571	32.1
121.06506	11.2
121.10150	9.8
123.08090	7.5
127.03828	2.5
128.06200	23.1
129.06987	42.8
130.07748	14.3
131.08556	73.6
133.06476	12.7
133.10121	30.4
135.04424	4.5
135.08061	7.3
135.11684	3.6
137.09604	3.2
141.06972	7.6
142.07762	17.5
143.08545	61.9
144.09369	3.7
145.02879	4.8
145.06485	9.0
145.10109	100.0
147.08049	16.9
147.11710	7.5
149.09602	7.7
153.06946	6.5
153.08990	3.1
154.07811	3.3
155.08534	28.9
156.09358	6.7
157.10114	31.9
159.08052	4.4
159.11713	19.3
161.09613	26.2
161.13257	8.7
163.03934	7.3
163.11153	7.9
165.07027	4.0
169.10100	8.3
170.10870	4.5
171.08107	3.8
171.11635	22.7
173.09598	58.3
173.13234	8.4
174.10098	2.9
175.11185	8.0
175.14813	5.6
177.05450	8.1
179.10690	3.6
180.09306	5.2
183.11687	4.3
185.13225	30.6
187.11183	7.8
189.12743	11.3
191.10678	19.4
195.11703	12.3
199.14851	11.1
201.12695	11.6
203.14314	21.6
213.12723	29.5
217.15929	8.1
219.13750	15.0
231.13747	42.9
249.14813	15.3
337.01022	3.2
354.59927	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	500.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40184	2.6
51.13490	2.4
53.03952	2.9
55.05499	8.0
59.04977	5.1
65.03916	3.8
67.05506	6.5
69.03397	3.0
69.24708	12.6
71.04986	3.3
79.05490	15.5
81.07027	15.1
83.04974	11.9
85.06524	6.4
89.74443	2.6
91.05467	48.3
93.07021	19.2
95.04950	23.9
95.08591	10.9
97.06543	5.7
105.07018	66.9
107.04929	7.3
107.08575	10.7
109.06501	6.6
115.05444	11.8
116.06219	4.3
117.07002	75.7
119.04912	3.8
119.08575	22.1
121.06512	7.0
121.10149	4.5
128.06204	20.3
129.06975	48.6
130.07748	10.7
131.08548	55.2
133.06482	7.9
133.10118	28.2
133.32513	2.9
135.08018	6.2
135.11655	3.1
139.12987	2.8
141.06955	8.9
142.07774	12.8
143.08551	47.9
145.06514	7.5
145.10112	79.3
147.08049	8.2
147.11676	7.3
149.09637	4.4
155.05945	4.2
155.08597	19.7
156.09328	8.7
157.10120	33.7
158.07201	4.3
159.07964	3.3
159.11745	15.7
161.09596	16.0
161.13306	5.7
161.34367	2.5
163.04013	3.4
163.11203	3.6
165.06981	3.5
169.10100	6.7
170.10901	4.9
171.08049	5.1
171.11684	10.9
173.09596	100.0
173.13254	4.4
175.11177	16.9
180.09296	3.2
185.13245	27.6
187.11163	5.7
189.12747	4.6
191.10634	28.1
195.11658	8.3
201.12750	3.2
203.14311	22.0
213.12708	31.1
231.13771	45.0
233.11745	8.3
249.14877	4.9
261.33151	2.7
303.04153	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	500.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66048	4.8
53.68939	4.7
55.01863	12.9
55.05501	10.7
57.55852	5.2
67.05492	11.2
69.07063	7.8
79.05495	22.0
81.03408	10.5
81.07061	10.5
83.04989	36.6
91.05475	46.9
93.07056	30.8
95.04968	59.8
95.08591	8.2
95.21273	5.7
97.06508	10.4
98.23517	14.4
98.29186	5.1
101.06013	7.3
103.05456	18.1
105.07030	79.8
107.04946	10.8
107.08594	18.7
108.96448	5.3
109.06519	14.6
115.05435	11.3
117.07011	19.5
119.04990	11.2
119.08567	35.1
121.06479	32.5
123.04442	7.3
123.08051	7.4
128.06213	26.4
129.06993	13.8
131.04904	15.3
131.08545	37.4
133.06476	25.4
133.10068	41.1
135.08046	22.7
138.58194	5.0
139.91086	5.5
141.07014	10.9
143.08545	50.6
144.09277	7.4
145.06483	30.5
145.10152	27.9
147.08080	25.8
149.05963	34.3
149.09608	9.6
151.07533	9.8
155.08597	6.9
157.10164	9.7
159.08064	13.1
159.11728	9.0
161.09621	100.0
163.07558	11.6
171.08112	14.8
173.09676	5.6
173.13264	9.2
183.11691	12.3
185.09573	6.4
187.11227	6.5
189.09065	54.3
201.12724	22.6
203.10629	5.4
207.10165	23.4
211.11206	8.3
217.12195	7.9
217.15753	6.1
229.12195	24.1
247.13292	21.1
264.15823	6.0
265.14511	8.4
276.65448	5.5
308.65891	6.4
514.74493	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	500.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01882	2.7
55.05507	8.6
57.03428	2.5
57.07040	1.6
59.04999	3.7
65.03922	2.5
67.05502	12.2
69.03425	4.6
69.07066	5.6
69.07722	6.4
69.08121	3.5
71.04998	9.6
77.03917	1.9
79.05493	22.6
81.07051	21.6
82.06557	1.9
83.04977	8.7
83.05422	1.7
85.06511	3.3
91.05474	63.7
93.07036	32.5
95.04966	24.9
95.08591	14.4
97.06502	9.6
98.23419	3.4
101.06005	1.5
103.05475	7.4
104.59013	1.4
105.07022	89.8
107.04940	6.6
107.08584	18.7
108.08080	1.5
109.06498	14.2
109.10135	2.6
111.08058	3.2
115.05454	13.3
116.06223	5.0
117.07014	48.0
119.04935	2.9
119.08566	40.6
120.67265	1.4
121.06499	12.6
121.10140	5.9
122.79456	1.4
123.07257	1.7
123.08044	7.4
125.05969	2.6
128.06212	24.8
129.06996	51.8
130.07802	14.9
131.04970	1.6
131.08559	69.3
133.06477	15.5
133.09175	2.6
133.10127	33.2
135.04448	2.2
135.08047	18.0
135.11700	4.1
137.09613	5.3
141.06972	7.5
142.07791	15.4
143.08553	61.1
144.09302	4.7
145.06502	9.8
145.10114	100.0
146.10442	1.8
147.08032	13.7
147.11646	7.1
149.09633	10.2
151.07567	3.6
151.11208	2.3
153.07007	5.9
154.07777	2.9
155.06032	3.1
155.08553	27.6
156.09320	13.7
157.10104	25.8
158.07275	2.9
159.08028	4.4
159.11687	17.0
161.09598	22.6
161.13237	11.5
163.11234	10.7
165.06996	5.1
167.08629	2.2
168.09419	1.6
169.10120	6.7
170.10924	3.0
171.08066	5.7
171.11664	24.8
173.09612	68.8
173.13206	5.0
175.11134	12.1
175.14807	5.1
179.10628	4.4
180.09288	4.4
183.11659	2.3
185.13228	21.6
187.11223	9.0
189.09108	2.0
189.12723	14.0
191.10655	25.3
192.13808	2.8
193.12137	2.0
195.11691	12.3
198.10275	1.5
201.12788	9.2
203.14296	18.5
204.14641	3.2
205.12184	3.1
213.12712	20.9
217.10107	3.5
219.13779	6.0
220.87338	1.7
231.13762	25.2
233.44214	1.7
249.14748	8.7
262.18002	2.1
267.15796	2.7
280.18982	6.4
298.20090	3.2
318.35324	1.7
500.34464	16.9
505.34314	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38829	0.3
53.03947	1.1
58.11943	0.3
58.22170	0.3
62.01587	0.3
63.02367	0.6
67.05502	0.4
69.03433	2.2
71.04980	0.4
73.02923	0.5
78.04713	0.4
79.05498	0.4
81.03410	6.1
81.07040	0.5
83.89994	0.3
85.02908	2.3
87.00794	0.3
89.03909	9.5
91.05463	1.0
93.07062	0.5
93.14267	0.3
95.04982	0.6
95.08623	0.8
97.02883	0.9
99.04440	0.8
103.05459	0.7
105.07036	0.6
106.04156	0.6
107.08600	0.6
109.02873	2.5
109.06586	0.4
109.10166	0.4
117.03371	25.6
118.03730	0.5
119.08559	0.4
127.03883	1.4
133.10072	0.5
134.03624	1.8
134.99103	0.3
135.04436	3.0
137.02348	2.2
137.03300	0.5
143.08498	0.4
145.02840	58.1
145.10048	0.4
146.03224	1.1
147.04333	0.5
149.05975	8.4
158.06123	0.4
159.11647	0.4
160.05165	0.4
161.05905	0.6
163.03888	4.2
175.07515	0.8
175.11205	0.3
177.05458	100.0
178.05820	2.3
182.54355	0.3
186.05472	0.5
195.06505	1.4
199.14767	0.4
201.05499	0.6
205.04936	1.5
229.04865	0.4
237.05411	1.1
247.06003	1.9
251.07002	0.8
254.05666	1.0
265.04926	1.4
269.08008	0.9
279.06503	0.8
282.04990	0.6
297.07559	8.3
321.09647	6.7
322.10233	0.5
339.07889	2.4
339.11163	0.4
391.09940	0.7
457.23828	0.9
501.23514	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	501.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61804	0.5
51.84863	0.5
53.03939	0.7
53.66436	0.5
55.05505	0.6
63.02366	0.9
69.03407	2.3
71.43684	0.8
78.04697	1.0
79.05481	1.0
80.98546	0.5
81.03409	4.0
81.07041	1.6
83.04939	0.6
85.02917	2.6
87.39237	0.5
89.03378	1.0
89.03905	11.6
91.05466	1.0
93.07029	0.8
95.08602	0.8
97.02869	0.8
105.07007	1.0
107.04946	1.0
107.08557	0.8
109.02872	2.2
117.03368	27.0
118.03664	0.5
119.08595	0.8
121.10129	0.9
127.03889	1.6
133.10069	0.9
134.03619	1.8
135.04408	6.3
145.02834	55.4
145.10072	1.2
146.03174	0.9
149.05966	7.4
162.03023	0.5
163.03889	21.7
164.04210	0.9
173.13348	0.7
177.05450	100.0
178.05797	2.2
186.05550	0.7
195.06584	0.8
199.14812	0.6
201.16458	1.1
202.04510	0.5
217.15845	0.8
321.09619	5.1
339.11377	1.3
415.18579	0.6
457.20102	1.3
501.18442	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	501.1578
Annotation	KN-93
Peak:m/z	Relative Intensity
58.68346	0.3
59.73157	0.2
68.85018	0.3
69.20509	1.4
70.06591	0.9
72.08144	0.4
86.09773	0.3
88.19444	0.3
88.30788	0.3
88.83318	0.3
120.68411	0.3
131.04773	0.3
134.73035	0.2
141.66441	0.3
159.06329	0.3
160.43413	0.3
173.43376	0.3
195.95485	0.3
200.09006	0.3
203.10268	0.4
333.14679	0.3
486.14072	0.3
501.15842	100.0
501.23019	17.0
502.16211	3.6
502.23260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35133	2.2
70.06590	1.0
76.90310	0.4
77.86226	0.4
80.06300	0.3
84.08138	1.1
98.23442	0.8
141.06593	0.5
145.02878	0.4
163.03934	0.6
181.05043	0.4
210.74463	0.4
270.36929	0.4
281.79813	0.4
286.54922	0.4
501.15710	100.0
502.16043	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	501.1757
Annotation	Gliocladinin B
Peak:m/z	Relative Intensity
55.01871	2.1
71.18427	1.7
74.05384	1.3
79.05488	1.9
81.07068	1.5
90.39756	1.3
91.05478	1.7
94.04177	4.7
103.05460	1.8
105.07006	3.2
109.02880	1.3
109.06547	1.4
115.05411	1.7
121.02865	1.3
122.03642	10.9
131.03885	1.2
131.04910	1.5
133.06462	1.7
133.10104	1.8
137.05974	100.0
146.03615	2.7
151.03828	1.1
155.04918	1.4
161.05968	15.2
163.07593	1.8
165.05533	2.0
172.05173	1.3
185.05956	1.4
187.07433	1.7
189.07063	2.5
190.07779	5.6
191.08542	6.4
192.14679	1.3
201.07008	2.4
203.08539	2.2
205.06451	1.6
207.08087	3.4
208.08783	3.3
215.06976	6.6
218.07272	7.6
219.08057	13.1
220.08762	2.7
221.05978	3.0
223.11217	1.2
229.06480	5.0
233.09685	2.3
235.07570	5.8
236.08356	5.1
246.06772	4.4
247.07529	14.1
248.08286	5.2
249.09213	2.3
251.10733	1.8
257.05914	3.9
259.07666	7.7
261.09076	7.3
262.09576	1.8
263.07074	6.0
264.07831	7.0
265.08820	1.7
273.22775	1.2
274.06207	7.0
275.06992	5.0
276.07819	3.1
276.43726	1.6
277.08615	1.6
278.09396	3.9
279.10223	8.4
280.07239	1.5
289.08508	17.2
290.09308	3.6
291.06424	2.5
292.07104	1.7
295.09634	4.5
306.08914	3.8
307.09625	77.8
308.09973	4.4
321.11194	34.1
339.12268	41.8
340.12750	1.9
373.78317	1.4
501.20773	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	501.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01868	1.2
55.05507	10.6
57.03432	2.3
59.04974	0.4
61.02916	1.0
65.03923	1.8
67.05495	2.5
68.34715	0.3
68.79015	0.3
69.03422	10.2
70.54400	0.3
70.54737	0.6
71.01330	0.8
71.04994	2.2
73.02922	0.7
79.05473	0.7
80.18527	0.2
81.03407	4.6
83.01351	0.3
83.04971	71.6
84.05281	0.6
85.02894	40.7
86.03255	0.4
87.00807	0.5
87.04458	1.1
91.05469	15.9
93.07061	0.4
95.04955	3.5
97.02879	5.9
99.04449	3.6
99.05072	0.4
101.02377	0.7
101.05999	2.2
103.05430	0.4
105.06998	0.7
107.04948	0.5
109.01894	0.2
109.02110	0.3
109.02868	2.9
111.04431	30.3
113.02435	0.3
113.05952	0.5
115.03926	0.6
116.77090	0.3
119.04930	10.4
121.06506	0.5
123.04397	1.2
123.08023	0.5
125.02338	0.4
125.05984	0.4
127.03020	0.5
127.03902	6.3
128.06143	0.5
129.05467	11.1
129.06956	0.5
131.04916	0.7
133.06482	0.5
136.05170	1.9
137.05949	1.3
139.03889	0.5
145.04935	1.7
145.06465	0.3
147.04391	0.4
151.07521	34.2
152.07851	0.6
153.05438	1.0
157.06503	0.6
161.05997	0.5
163.03900	0.4
163.07510	1.1
165.09116	0.8
169.04900	0.5
169.08611	0.3
171.06502	100.0
172.06885	1.7
173.04384	0.7
175.07564	0.9
177.05539	0.5
179.07031	1.8
181.08614	0.5
187.06029	0.4
187.07585	0.4
189.07568	1.2
189.09073	0.4
191.07082	0.4
193.08580	0.8
195.06401	0.4
203.06978	0.7
205.08565	0.7
207.06487	0.6
211.05966	0.4
213.07585	0.3
217.08606	1.8
220.94414	0.4
229.06972	1.8
235.09807	0.7
255.08516	1.1
259.09659	0.8
261.11264	0.5
273.09665	0.5
277.10800	0.6
279.12125	0.4
333.11758	9.9
339.14246	0.6
501.22064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.3
55.01861	10.6
55.05509	8.4
55.38012	5.6
57.03443	8.8
59.25945	4.9
61.44976	5.0
67.05498	11.5
69.03429	40.8
70.79998	5.4
71.04982	6.2
73.02912	7.1
76.47692	4.7
79.05484	13.1
81.03410	33.0
81.07051	24.2
83.04932	5.1
85.02895	87.2
87.00833	36.1
89.96002	5.8
90.71897	5.0
91.05450	24.7
93.07031	31.4
95.04964	8.9
95.08611	27.4
97.02894	30.7
98.22643	14.2
99.04448	11.7
103.05449	5.2
105.01878	29.8
105.07029	43.5
106.25792	4.5
107.08578	30.9
109.02846	30.2
109.06469	6.9
109.10147	12.4
117.07014	18.8
119.08567	40.5
121.06426	7.6
121.10157	13.5
123.08019	5.6
127.03922	49.3
128.06206	7.5
129.06967	13.5
131.08562	42.2
133.10123	32.7
135.11693	8.0
142.07774	11.2
143.08562	41.2
145.04944	12.8
145.10083	42.5
147.08047	8.9
147.11676	16.0
155.08521	6.8
157.10132	49.6
159.02881	15.4
159.11676	68.3
161.13252	16.1
163.03900	6.7
171.11650	14.8
173.13179	27.9
175.11159	5.8
175.14764	17.1
177.05458	18.7
177.12743	24.0
187.14815	11.3
189.12727	6.3
189.16330	36.0
195.11743	5.8
196.55688	5.4
199.14795	92.7
201.16388	14.8
205.15930	12.2
217.15834	100.0
231.04951	10.7
235.16844	43.2
236.17270	6.1
276.01187	5.7
291.17056	5.2
329.17645	5.2
501.17227	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	501.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34069	3.6
53.03939	8.8
55.01868	11.4
55.05484	4.8
57.03430	7.6
61.02904	7.6
67.05488	8.0
69.03439	45.2
69.07052	5.2
69.16525	21.0
71.04993	6.6
72.79997	4.2
73.02909	7.3
79.05463	13.0
81.03419	42.4
81.07056	31.7
81.51726	3.7
85.02898	100.0
85.06548	6.5
87.00827	47.1
91.05470	21.8
93.07044	25.9
95.04952	8.0
95.08602	29.5
97.02885	39.7
99.04454	12.9
101.37383	4.0
105.01862	36.9
105.07018	47.5
107.08591	28.7
109.02863	32.5
109.06506	8.5
109.10133	10.8
111.08089	5.6
117.03387	7.0
117.06998	9.0
119.08570	41.8
121.06426	6.0
121.10129	14.0
123.08096	8.1
127.03902	60.2
128.06247	4.5
129.06985	11.6
131.08583	33.9
133.10127	30.3
137.05994	4.2
142.07750	13.0
143.08548	43.7
145.02831	18.3
145.04984	21.8
145.10085	24.9
147.11694	12.9
149.06018	6.0
155.08572	4.1
157.10095	50.2
159.02888	18.2
159.11690	55.5
161.09627	7.7
161.13303	12.7
168.68608	4.8
171.11650	17.6
173.13239	23.7
175.11142	7.3
175.14841	7.3
177.05464	27.6
177.12773	13.5
187.14836	10.0
189.12720	5.5
189.16383	29.5
199.14803	86.7
200.15161	4.5
201.16374	15.5
205.15875	8.8
217.15877	84.7
231.04951	11.5
235.16925	29.5
289.04968	5.8
415.98404	5.1
435.77887	5.2
501.17191	15.6
501.22910	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	501.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.1
55.52071	0.9
57.07066	2.7
67.05486	3.2
69.07053	2.5
69.22321	5.2
71.04981	1.0
71.08618	2.8
77.31375	1.0
79.05485	4.8
81.07060	6.7
83.01105	1.8
83.04964	2.0
85.06532	3.1
85.10193	1.7
89.06029	6.5
91.05470	11.6
93.07045	6.5
95.04971	2.8
95.08604	3.6
105.07019	21.7
107.08573	4.4
109.10139	1.7
117.06999	8.4
119.08576	13.5
121.06496	4.0
121.10114	2.6
123.04156	6.7
129.06990	1.2
131.08549	5.2
133.08607	2.8
133.10101	5.3
135.08063	1.4
145.10114	9.0
145.88681	1.1
147.08061	1.7
159.11691	12.0
161.13248	13.5
165.09097	1.9
173.13191	1.5
177.11285	1.2
201.16385	2.6
219.17647	1.0
223.09390	99.8
224.09795	2.4
241.15594	28.0
241.17921	1.5
242.15820	1.4
264.12067	1.9
267.89856	1.0
291.23050	2.0
301.17700	100.0
302.18103	4.5
315.18152	1.1
353.24841	1.1
359.03473	1.1
359.20648	3.9
440.82925	1.1
485.35324	1.5
501.28168	60.7
502.28540	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	501.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.3
67.05504	5.4
69.07058	3.4
69.08095	9.8
74.75498	1.3
79.05470	3.8
81.07049	30.4
83.04977	5.5
89.06024	2.6
91.05474	4.8
93.07034	4.4
93.53017	1.3
94.80846	1.3
95.04980	2.1
95.08562	7.3
98.22685	2.5
99.08106	1.4
105.07002	8.0
107.08557	2.2
109.10124	1.9
117.06975	2.4
119.08567	8.5
121.06496	1.7
121.10156	2.9
123.04188	8.2
131.08582	3.6
133.08597	2.1
133.10127	3.5
137.13249	6.3
145.10110	2.8
159.11653	4.3
161.13254	7.9
194.51833	1.9
201.16357	1.6
219.17426	1.8
223.09387	100.0
224.09656	2.0
238.26901	1.3
241.15617	12.1
301.17731	24.3
441.26022	37.6
442.26520	2.3
483.33258	1.5
501.28296	23.1
501.35715	6.1
503.64984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	18.2
59.05003	10.6
67.05499	22.2
69.03429	7.7
69.07059	24.9
70.34071	5.1
73.06533	7.8
73.48271	4.7
77.03941	4.6
79.05484	27.5
81.07055	40.4
85.06544	6.3
91.05476	21.4
93.07043	49.0
95.04918	8.0
95.08601	75.5
97.06496	10.0
99.08076	14.0
99.62763	5.4
105.07024	90.3
106.97696	5.7
107.08590	70.3
109.06474	5.0
109.10134	35.1
109.44370	4.6
111.08083	17.2
115.91801	5.5
117.07020	8.1
119.06103	5.2
119.08587	87.1
119.62836	6.3
121.06473	10.0
121.10132	42.6
123.11695	15.3
127.07578	7.0
129.09085	32.6
130.06490	7.3
131.08563	41.5
133.10121	54.1
135.08113	5.9
135.11674	25.3
135.50044	5.5
139.11169	8.9
143.08546	5.8
145.10143	49.4
147.11688	58.7
149.13263	25.6
155.10646	34.9
157.10121	10.2
157.12234	17.3
158.10851	6.0
159.11688	33.1
161.09546	7.5
161.13232	46.6
163.11145	7.9
163.14804	12.8
171.11668	18.7
173.13260	68.4
175.11168	5.1
175.14810	100.0
183.11621	7.8
185.13242	12.6
187.14761	15.1
189.12717	19.1
189.16321	11.0
191.14299	30.4
199.14799	16.0
201.12755	10.8
201.16319	10.0
203.17958	11.5
213.16437	7.5
215.17949	9.1
217.15833	5.9
219.13814	31.0
219.17270	6.0
221.15344	14.6
225.01216	9.0
227.17914	10.2
233.15192	6.3
237.14792	33.5
237.96761	5.9
245.18994	11.5
263.20093	10.3
267.24637	5.1
348.19925	5.9
419.33240	5.9
437.33997	17.3
455.35202	11.7
457.27560	8.1
465.33337	21.1
483.25290	13.1
483.34760	10.9
501.11417	12.4
501.26498	61.8
501.35129	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	502.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.6
55.01867	10.3
55.05504	11.2
57.03426	6.1
57.07057	6.1
61.02916	7.0
65.03941	3.6
67.05499	39.8
69.03427	35.5
69.07050	14.5
71.04979	8.5
73.02906	7.8
79.05485	36.8
81.03413	29.7
81.07050	73.4
83.05004	6.4
83.08603	5.7
83.37822	2.8
85.02901	77.5
85.06518	6.0
86.09712	3.9
87.00816	35.9
91.05476	56.6
93.07040	55.0
95.04953	12.8
95.08015	5.7
95.08603	74.2
97.02886	35.1
97.06532	7.0
99.04441	12.0
103.05466	4.1
105.01860	38.5
105.04519	3.2
105.07027	100.0
107.04928	5.1
107.08582	72.7
109.02869	30.2
109.06499	8.2
109.10147	36.8
111.08105	4.4
115.03934	3.6
115.05367	3.7
116.06168	2.7
117.07018	36.1
119.08575	62.4
120.08951	3.2
121.06483	4.4
121.10136	36.7
123.08053	5.4
123.11695	14.9
125.09609	9.5
127.03899	58.5
129.01820	4.3
129.06995	6.3
130.07759	12.1
131.08557	57.8
133.10130	35.2
135.04384	4.3
135.07996	4.2
135.11662	24.9
137.05943	7.9
137.09607	5.1
142.07741	3.4
143.08543	9.4
144.09312	8.5
145.02853	6.8
145.04951	23.2
145.10112	99.0
146.79970	2.7
147.11671	21.8
149.09666	4.2
149.13258	6.8
155.08752	4.3
157.10074	11.2
157.48975	3.0
159.02901	12.8
159.11676	67.0
160.12064	4.8
161.13248	17.9
163.03912	15.4
163.11128	5.8
167.07097	4.9
171.11760	3.8
173.13235	20.8
174.56702	3.3
175.07639	3.4
175.14827	13.1
177.05479	5.6
177.16452	3.5
189.16347	3.3
191.17941	9.9
199.14793	5.6
201.16386	81.6
203.17940	5.6
208.33469	3.0
219.17435	36.9
221.05954	4.6
225.90372	3.4
231.04994	11.5
249.05818	8.8
305.08154	3.7
323.05365	4.7
438.58536	3.2
458.20657	3.5
459.18088	5.4
502.18115	8.1
503.16733	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57603	2.4
53.03938	8.5
55.01865	8.8
55.05513	4.3
57.03409	6.5
61.02919	6.8
67.05497	10.2
68.99795	2.9
69.03422	36.1
69.07066	4.4
70.01939	6.2
70.33454	3.4
70.46838	2.4
71.04974	8.4
72.19777	2.9
73.02899	8.7
79.05476	5.5
81.03401	27.7
81.07044	15.4
83.08582	4.4
85.02891	100.0
87.00818	45.6
91.05462	12.1
93.07054	16.1
95.04977	3.2
95.08598	15.8
97.02885	55.1
98.23405	3.2
99.04446	15.9
105.01851	61.8
105.07016	36.0
107.08568	20.0
109.02868	34.8
109.10152	11.7
117.01818	4.2
117.06998	6.2
119.08578	22.0
121.10140	12.1
123.11644	2.6
127.03902	84.3
129.01814	3.7
129.06961	3.6
130.07787	6.5
131.08577	18.0
133.10130	10.5
135.11703	7.0
137.05962	4.1
143.08574	4.8
144.09303	3.9
145.04936	48.6
145.10103	46.1
147.11659	8.0
149.13364	4.2
157.10101	4.5
159.02864	23.8
159.11685	29.4
161.13206	6.6
173.13258	7.1
175.14818	5.0
191.17946	4.0
201.16364	40.2
202.16513	2.7
213.03854	3.5
219.17349	17.2
231.04958	34.5
248.07707	3.7
249.06058	12.7
266.20465	2.7
284.09766	20.6
431.02087	2.8
443.79254	3.4
502.25906	3.9
504.84851	3.1
526.70593	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	502.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.05519	3.6
57.03415	2.2
61.02927	3.6
67.05497	8.0
69.03419	8.6
69.07056	3.7
69.70953	2.6
69.71294	5.7
79.05483	11.4
81.03409	9.8
81.07056	15.9
85.02895	26.4
87.00828	13.9
88.04375	1.6
91.05465	14.9
93.07038	18.6
93.28281	1.8
95.04969	3.4
95.08595	27.9
97.02901	13.0
98.22668	2.7
99.04443	4.8
100.66531	1.7
105.01862	12.4
105.07021	52.2
107.08578	26.1
109.02859	9.5
109.10120	9.2
115.05415	2.5
117.03379	1.7
117.07028	12.2
117.15308	1.7
119.08569	24.9
121.10114	12.9
123.08066	3.4
124.54008	1.8
127.03912	17.8
129.06960	2.6
130.07770	6.6
131.08556	28.3
133.10107	10.9
135.11711	2.7
135.18321	1.8
142.07756	2.0
143.08511	4.6
144.09354	1.9
145.02837	2.4
145.04930	11.0
145.10110	100.0
146.10590	3.9
147.11681	5.0
150.37843	1.9
157.10135	3.8
159.02890	3.8
159.11685	27.9
161.09596	2.3
161.13223	3.9
163.03917	4.6
171.11752	2.6
173.13268	8.2
175.14835	4.1
177.05495	2.8
187.14851	3.3
198.34860	1.9
199.14774	3.4
201.16368	93.6
202.16699	3.3
219.17435	12.6
231.04922	2.3
242.88693	1.7
270.19562	2.2
449.21567	3.9
502.34518	3.1
503.32730	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.21959	0.5
55.05493	1.0
55.67790	0.5
67.05494	2.1
69.03417	2.4
69.07055	1.5
70.98225	0.7
71.04984	0.7
79.05506	3.5
81.03407	1.7
81.07058	3.8
84.20988	0.5
85.02893	4.5
87.00810	1.7
91.05464	5.0
93.07030	6.0
95.04957	1.8
95.08592	5.9
97.02885	2.2
98.38586	0.5
99.04465	0.8
105.01864	3.5
105.07023	16.1
107.08587	5.8
109.02864	1.6
109.10141	2.4
116.06224	1.0
117.07014	6.5
119.08565	5.7
121.10120	4.4
127.03899	3.5
129.06990	1.8
130.07776	3.7
131.08559	7.1
133.10144	2.8
143.08540	2.0
144.09380	1.0
145.04996	2.7
145.10107	100.0
146.10451	2.7
147.08220	0.6
147.11682	1.3
157.10136	1.5
159.02872	1.5
159.11679	15.6
161.13229	1.7
173.13223	2.1
175.14862	1.6
179.89188	0.6
184.86673	0.6
185.13286	0.6
201.16368	51.4
202.16705	2.4
203.17934	0.7
219.17357	1.6
231.05031	1.4
231.13666	0.6
237.76373	0.6
264.59744	0.7
339.41043	0.5
343.82916	0.5
449.21820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93004	2.4
51.29620	1.9
52.04414	2.2
53.03933	7.0
55.01855	6.5
55.05508	14.1
55.17781	2.0
57.03442	4.4
61.02940	2.5
64.70292	2.2
67.05500	20.6
69.03419	16.5
69.07076	12.3
69.77843	2.5
69.78178	8.6
71.04986	3.6
73.02909	3.7
79.05491	27.9
81.03408	13.4
81.07046	38.7
83.04968	6.0
83.08623	5.2
85.02892	46.6
85.03411	2.8
85.47396	2.2
87.00817	23.2
91.05471	44.0
93.07041	42.2
95.04966	6.6
95.08592	45.2
97.02876	21.0
99.04451	6.6
103.05486	4.3
105.01859	23.5
105.04522	5.5
105.07018	84.0
107.04951	2.5
107.08588	41.9
109.02869	14.0
109.06538	2.8
109.10141	20.7
111.08053	3.3
115.05388	3.6
117.06995	32.5
119.08562	47.3
121.06573	2.3
121.10123	27.3
123.11679	4.4
127.03909	34.2
129.07048	5.5
130.07777	11.6
131.08554	52.5
133.10103	23.9
135.11693	10.6
143.08553	4.8
144.09328	6.8
145.04964	18.2
145.10107	100.0
147.11682	7.7
149.13246	2.7
157.10141	6.2
159.02895	9.7
159.11679	67.8
161.13239	22.5
163.11147	5.2
173.13239	14.7
175.14819	3.5
177.05301	2.7
191.17953	4.4
201.16359	86.6
219.17409	29.5
231.05017	7.9
242.24608	2.5
249.05878	2.2
362.62857	2.8
423.97012	2.6
490.36981	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	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01874	8.3
55.05503	6.2
57.03440	5.2
57.07069	4.6
58.35856	2.2
61.02921	5.4
65.03951	2.8
67.05512	13.2
67.35427	3.0
68.99777	3.1
69.03426	20.4
69.07063	10.8
71.04992	5.6
73.02915	8.4
77.52007	2.7
79.05485	10.5
81.03417	23.7
81.07058	21.2
83.08631	4.8
85.02900	60.3
87.00823	20.2
91.05462	26.7
93.07051	24.9
95.04957	8.5
95.08601	22.6
97.02883	26.8
98.22704	7.1
99.04456	10.6
101.37405	2.5
103.05445	3.0
105.01862	28.2
105.07021	54.0
107.08586	21.4
109.02855	21.2
109.06502	3.7
109.10147	13.2
115.03939	2.5
117.01933	2.8
117.07021	18.1
119.08570	33.3
120.59963	2.5
121.10152	13.1
123.08062	3.1
123.11669	5.1
123.54785	2.9
127.03902	46.3
129.07002	3.1
130.07845	2.7
131.08551	28.3
133.10132	16.7
135.11707	7.9
138.16907	2.8
143.08543	7.3
144.09334	3.4
145.04950	30.9
145.10115	97.1
146.10426	3.2
147.11667	5.5
149.02335	73.9
149.09628	2.7
150.02678	3.2
157.10103	6.2
159.02861	14.0
159.11699	40.8
161.13237	30.2
163.03967	4.9
163.11198	5.0
173.13287	10.0
187.14949	3.7
191.17950	6.4
199.14809	3.4
201.16370	100.0
202.16801	4.4
203.17891	4.9
203.20250	2.7
205.08684	4.3
213.03979	3.3
219.17421	28.5
223.09550	15.2
231.05011	11.5
249.06137	3.5
327.19324	3.1
503.24597	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	502.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01154	1.6
53.03947	6.0
55.01872	3.0
55.05511	7.2
57.03436	2.9
57.07071	2.3
61.02916	2.3
65.03973	1.7
67.05497	22.5
69.03426	12.0
69.07079	6.0
70.98193	2.7
77.97974	1.5
79.05487	17.8
81.03420	10.4
81.07047	36.2
81.07487	2.1
85.02899	23.6
87.00836	9.1
91.05468	24.1
93.07040	26.4
95.04974	4.6
95.08604	33.2
97.02897	10.1
99.04474	4.3
105.01852	8.6
105.07019	59.4
106.07330	2.2
107.08586	29.8
109.02856	11.2
109.10149	11.2
112.93800	1.6
117.06995	13.5
119.08578	34.5
121.10131	12.4
123.08102	3.0
123.11763	3.2
125.09617	2.1
127.03912	16.2
129.07027	5.3
130.07794	4.7
131.08557	32.9
131.09471	2.9
133.10115	21.1
135.11726	5.5
143.08566	4.6
144.09372	2.2
145.04984	7.7
145.10118	69.4
146.10599	2.0
147.11656	9.7
149.13293	3.0
155.61119	1.8
157.10103	3.9
159.02847	8.5
159.11668	40.2
161.13245	38.2
163.14870	2.2
171.11693	2.3
172.12610	1.6
173.13243	12.7
173.83530	1.6
175.14845	4.1
179.14355	2.1
183.25137	1.9
189.16487	2.0
191.17944	2.9
199.14764	2.9
201.16367	100.0
202.16724	2.9
203.18178	2.1
219.17419	32.9
231.05035	4.1
237.18480	2.8
307.64972	1.8
407.77701	1.7
472.96423	2.1
503.24402	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	502.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.2
55.05513	4.8
67.05499	10.8
69.03430	19.2
69.07068	10.0
73.02927	2.9
79.05492	10.6
81.03414	12.2
81.07047	10.9
83.04961	4.6
84.79159	2.8
85.02898	32.3
85.95786	2.8
87.00823	14.4
91.05460	20.1
93.07049	12.7
95.04964	8.0
95.08607	13.4
97.02898	15.8
99.04449	6.1
105.01860	16.5
105.07018	46.9
107.04956	3.0
107.08600	11.9
109.02872	14.4
109.06452	3.3
109.10150	12.5
117.07015	14.2
119.08569	36.5
121.06490	6.0
121.10154	6.4
127.03910	26.3
128.06195	5.7
129.06989	8.2
131.04955	3.1
131.08533	17.8
133.06502	8.1
133.10086	15.3
135.11667	6.9
137.09540	3.7
141.07027	3.7
143.08565	11.8
143.15308	3.5
145.04942	7.1
145.10110	95.9
147.08005	2.7
147.11705	8.6
153.28650	2.9
157.10170	4.9
159.02898	9.9
159.11671	24.0
161.09592	8.5
161.13239	8.5
163.03908	4.1
171.08014	3.2
173.13304	6.8
175.07512	3.3
183.55779	3.2
189.09128	5.5
201.12685	3.3
201.16356	64.8
203.17926	3.0
209.47049	3.1
211.11075	3.6
219.17393	21.8
224.41649	2.6
229.12288	5.8
231.05054	7.0
243.15024	2.9
249.06052	3.1
450.12180	2.9
462.83029	3.5
502.22153	3.4
503.24744	100.0
503.32300	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	502.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91341	3.9
52.38910	3.7
55.05513	15.0
57.03428	7.3
67.05500	12.4
67.38628	4.3
69.03430	7.4
69.07068	9.7
70.72611	7.1
73.06551	6.1
79.05499	16.7
79.65554	3.6
81.03413	9.7
81.07037	25.7
83.04994	15.6
83.08606	6.2
85.02911	15.2
87.00855	6.4
88.86749	4.0
91.05463	27.1
93.07043	32.8
95.04961	100.0
95.08595	26.6
97.02878	8.7
97.06532	15.2
100.11250	6.8
101.06016	32.0
105.01869	8.6
105.04578	5.1
105.07026	72.6
107.08588	41.1
109.02873	6.7
109.06520	17.3
109.10174	10.7
111.08065	5.1
117.07032	17.7
119.07068	6.7
119.08569	52.8
121.06477	7.2
121.10143	17.7
123.08089	6.6
123.11695	4.7
127.03942	15.6
128.06223	6.4
129.07005	12.4
130.07790	8.5
131.08565	35.6
133.06487	45.0
133.10103	35.3
135.08043	16.3
135.11703	8.8
137.09625	7.9
139.33160	4.0
142.07776	6.0
143.08545	18.6
145.02847	4.9
145.04996	8.9
145.06570	4.2
145.10114	86.4
147.08058	18.1
147.11699	16.2
149.09665	12.2
151.07544	13.9
155.08560	11.1
156.09332	6.9
157.10143	26.9
159.11694	30.4
161.09598	8.0
161.13235	23.3
163.03958	9.7
163.11163	14.8
169.10245	4.8
171.11708	10.2
173.09631	20.3
173.13269	8.4
175.11237	8.7
175.14847	16.7
182.15405	7.0
185.13266	29.2
187.11259	8.7
189.12679	9.2
191.10666	30.7
193.12547	4.5
195.11653	6.6
199.14719	5.8
201.16354	47.2
203.14272	36.1
207.13843	7.6
210.14761	5.2
213.12726	23.3
219.17430	25.9
231.13806	56.7
232.14154	4.7
249.14857	31.9
270.80420	4.6
303.49121	4.2
451.86746	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	502.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33188	3.7
54.67332	4.2
55.05512	8.9
55.33443	4.5
59.37282	4.6
67.05502	15.3
69.03419	9.5
69.07073	10.2
71.04991	5.2
79.05467	25.3
81.07041	21.4
83.04982	14.2
85.02895	7.7
90.15636	4.5
91.05470	55.5
93.07052	33.1
95.04982	18.7
95.08593	21.9
96.10047	4.9
97.02870	5.4
97.06539	10.9
98.23544	6.9
99.04437	6.5
101.06013	29.7
103.05446	6.3
105.07019	84.5
107.08576	27.7
109.06498	10.0
109.10159	8.4
111.08099	6.8
115.05421	8.3
117.07007	35.4
119.07051	15.9
119.08573	39.6
121.06524	10.0
121.10112	4.7
121.50280	4.5
123.08073	5.5
125.06054	5.8
127.03901	11.3
128.06203	22.0
129.06967	36.7
130.07813	6.8
131.08554	63.1
133.06526	10.7
133.10138	24.8
135.08121	6.0
141.06976	5.7
142.07788	13.2
143.08549	64.9
145.02771	4.9
145.06488	7.4
145.10115	100.0
147.08047	12.4
147.11676	12.1
149.09642	9.8
151.07613	5.8
155.08583	19.8
156.09323	9.6
157.10086	26.4
159.11690	25.5
161.09584	23.8
161.13274	16.5
163.11183	6.1
165.06984	7.5
169.10066	8.5
171.07999	7.0
171.11667	22.7
173.09613	71.4
173.13304	10.1
175.11230	10.6
175.14778	12.2
177.05444	8.3
183.11673	5.0
185.13243	33.3
187.11240	8.4
189.12758	11.5
191.10690	20.9
191.18005	4.3
195.11722	10.2
201.12726	20.0
201.14804	4.4
201.16397	32.0
203.14293	20.7
205.98778	4.1
213.12737	41.2
219.13744	22.0
219.17342	31.2
219.50658	4.5
231.13763	79.2
245.21078	4.6
249.14896	26.0
371.26578	5.1
503.20996	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	502.9669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31335	1.6
57.87878	1.7
104.99266	3.9
120.96650	5.0
136.94014	59.8
141.53349	1.6
177.64784	2.1
228.11522	1.8
233.21426	1.6
262.97827	11.4
278.95197	100.0
279.95343	4.7
322.96130	3.1
338.96716	2.4
360.95786	5.2
420.96701	10.1
428.38370	1.8
464.91226	2.0
502.72559	2.1
509.47223	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96916	1.0
51.90430	1.0
69.12645	6.9
85.95267	1.2
86.09663	1.2
124.25683	1.0
131.26733	0.9
134.18526	1.1
135.04419	3.2
163.03883	6.5
165.06998	1.1
167.05539	1.5
181.04922	2.4
193.06367	1.2
213.01680	1.1
216.39697	1.0
221.04182	3.0
221.06030	2.6
239.06984	1.0
245.56746	1.1
249.05492	5.3
277.04971	3.2
279.06186	1.1
295.05988	6.7
305.06311	20.1
323.05435	7.8
426.84180	1.1
503.11490	100.0
504.11816	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	503.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.2
59.14775	1.6
67.05502	2.5
69.03415	3.2
69.07054	2.0
71.01328	1.7
79.05492	3.0
81.01145	1.3
81.03416	7.4
81.07052	6.8
85.02902	9.1
85.06524	1.6
89.03909	8.2
91.05464	3.0
93.07043	3.7
93.98511	1.2
95.04965	2.0
95.08584	4.9
97.02842	2.3
99.04452	1.7
102.05529	2.2
105.07006	3.5
107.08598	3.1
109.02857	2.6
109.10143	2.5
115.85641	1.2
117.02588	1.4
117.03372	18.2
119.08559	2.9
120.08879	1.2
120.45432	1.1
121.06517	1.6
121.10127	2.1
121.84510	1.3
123.11720	2.1
127.03902	2.4
131.08531	1.3
133.10103	2.1
134.03584	1.9
135.11713	2.2
136.07555	1.5
137.05920	1.6
145.02837	46.2
145.10129	3.6
146.03239	1.4
147.11690	1.8
149.05951	8.3
149.13075	1.6
157.10054	1.4
159.11647	2.8
163.03870	4.0
163.11212	1.5
167.71765	1.2
177.05447	100.0
178.05745	2.7
182.15421	1.5
201.16299	3.1
202.16809	2.4
219.17409	1.2
249.32974	1.7
250.06075	1.5
253.11066	2.2
265.08575	7.8
297.11298	1.3
309.11212	13.5
321.09686	5.9
323.12793	1.7
339.10614	2.5
341.13846	18.1
343.15384	2.6
503.25287	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	503.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64048	1.4
56.96560	35.0
57.40437	1.3
61.50456	1.5
70.78573	2.6
81.07055	2.9
84.08183	1.6
84.96031	26.6
95.08597	3.2
98.97574	100.0
99.04441	2.8
101.55363	2.0
102.97129	1.7
105.07011	1.8
109.10139	2.5
110.97564	14.9
112.99111	8.5
116.98614	51.3
116.99397	2.6
121.11900	1.4
123.11703	2.7
128.98587	14.6
131.00159	9.6
134.99672	16.2
143.00174	3.0
146.99628	8.8
149.01222	6.0
157.01848	1.8
158.99657	25.6
161.01208	3.7
163.04005	2.0
171.03249	1.9
173.01263	4.5
175.02769	2.5
177.00714	35.0
185.04976	1.9
187.02760	2.1
189.04358	5.0
195.01781	2.4
197.04886	2.5
199.06458	4.8
203.05850	1.9
207.06886	2.0
211.06482	1.9
214.74702	1.7
215.05841	3.9
217.07439	3.3
219.01825	8.5
223.06342	2.0
225.08038	3.5
229.07512	4.8
235.06400	2.3
235.10062	2.2
237.02858	3.7
237.08014	2.4
239.09410	2.2
241.07452	5.2
245.08614	2.1
249.07910	18.8
251.06087	2.0
251.09360	2.4
253.07466	3.8
253.11101	13.7
255.08986	2.4
257.10605	2.2
258.04175	2.2
263.09503	26.6
265.11145	3.4
267.09000	10.5
269.10666	2.7
271.12195	8.1
276.50403	1.7
279.03961	1.9
279.09000	3.1
281.10568	86.2
282.10919	2.6
283.12097	3.6
295.12137	12.2
297.10016	2.6
299.06488	2.4
299.11636	49.5
305.10519	2.5
307.12198	2.1
309.10205	2.9
311.11722	3.1
313.13251	5.0
315.11148	2.3
317.12491	7.8
323.11624	96.3
331.10876	3.8
341.12738	33.5
369.12158	5.8
383.13889	3.9
387.13223	5.7
395.95447	1.7
408.14569	1.7
439.20410	1.8
443.15814	43.4
461.16946	40.9
503.17725	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	503.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
53.73744	0.6
55.05519	1.6
64.36662	0.6
67.05483	3.7
69.03418	1.6
69.07059	2.1
79.05484	3.0
81.03384	0.9
81.07040	5.4
85.02884	1.6
91.05463	5.6
93.03409	0.9
93.07030	5.3
95.04955	2.1
95.08598	7.5
97.02892	1.2
97.06561	1.1
99.08071	1.4
105.01853	1.6
105.07017	12.8
107.04939	0.6
107.08586	4.6
109.02882	0.8
109.06483	0.7
109.10146	5.2
112.94420	0.7
114.02766	0.6
117.07029	1.7
119.08578	12.0
121.06473	1.9
121.10125	4.4
123.08006	1.0
123.11666	2.0
125.05945	0.7
127.03899	1.6
128.06236	1.5
129.07004	1.3
130.07747	0.6
131.04909	1.8
131.08533	5.1
133.06566	0.8
133.10088	5.7
142.07748	2.1
143.08502	4.0
145.10129	6.0
146.10455	0.8
147.08014	1.8
147.11674	4.6
149.05989	4.7
149.13263	0.9
157.10098	2.8
159.11682	3.4
161.09604	0.9
161.13214	2.2
163.11142	0.9
163.14813	2.0
173.13210	4.1
175.14851	2.8
177.16391	1.7
179.03214	1.1
185.13338	0.9
187.14806	6.6
199.14832	1.3
201.12708	1.9
203.14296	1.0
203.17924	9.6
205.15857	7.9
219.13782	8.2
223.02072	1.3
223.09367	10.1
223.16904	11.0
237.14876	1.5
243.04768	3.6
285.02039	1.4
287.03699	54.9
288.04211	1.1
303.11990	3.0
322.75955	0.8
380.51941	0.8
417.18683	1.7
421.31134	1.1
439.31927	1.5
457.33112	10.2
459.19968	7.0
503.18784	100.0
504.19315	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	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63213	0.8
51.52472	0.9
53.03939	1.6
53.38965	0.7
55.01868	1.9
57.03425	2.0
61.02922	3.9
68.29202	0.8
69.03426	11.3
70.06586	1.1
70.70747	1.3
71.04967	1.5
73.02907	0.9
74.06181	0.7
79.05484	1.4
79.88166	0.9
81.03417	4.8
81.07029	0.8
83.04968	1.2
85.02901	29.4
86.09681	2.3
87.04502	0.9
89.03890	1.2
91.03932	1.6
91.05472	3.0
94.04178	2.5
94.36034	0.8
95.04989	1.3
97.02890	9.2
99.04447	1.3
103.05462	1.5
107.04961	0.8
109.02871	2.4
109.06505	1.6
111.04413	0.9
117.03371	1.2
119.04945	1.6
122.03643	6.6
125.05988	1.0
127.03905	5.5
128.06248	0.9
129.06999	3.2
129.82729	0.8
131.04909	3.0
135.04381	1.5
137.05966	100.0
138.06300	1.8
141.06999	2.0
144.05627	1.3
144.06618	1.6
145.02869	1.1
145.04927	3.6
147.04506	1.3
149.05971	1.2
151.07549	10.0
153.05437	0.7
157.06561	1.8
158.07193	2.3
163.03874	6.6
163.07530	3.3
165.05579	1.1
169.06445	1.8
171.06560	1.7
171.08038	1.2
172.05157	2.1
173.06033	0.9
174.06801	4.9
175.07552	4.3
177.05411	1.0
186.06754	1.1
187.07530	30.0
189.09131	9.9
191.08492	1.6
199.07574	1.6
201.09102	14.7
203.08592	2.4
208.08855	1.2
217.08577	13.1
219.08020	2.5
231.08008	3.3
232.08667	1.1
233.09471	1.0
235.07692	1.1
236.08430	1.2
247.07510	3.2
248.08278	4.1
249.05505	1.2
251.10703	2.6
253.08508	1.2
259.07648	1.9
260.08289	1.2
261.09125	1.7
263.10641	5.1
264.07748	2.3
265.08572	2.5
271.09573	2.3
276.07770	2.3
277.08438	1.4
279.10165	5.3
280.10709	1.1
282.08594	1.0
291.10086	9.3
293.08398	1.5
293.11746	2.3
296.10471	3.8
297.11218	1.3
310.12003	1.0
311.12717	12.6
312.12939	1.1
323.12747	20.0
324.13132	1.3
325.14304	12.4
326.14767	1.1
341.13797	17.2
408.77982	0.8
503.20618	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54826	1.0
51.83694	1.0
53.03942	1.6
57.03440	1.4
60.33432	1.2
60.55888	1.1
61.02920	2.0
65.03943	1.5
69.03426	6.2
69.74814	3.6
73.02930	1.4
79.05505	1.9
81.03423	2.7
81.07038	1.3
83.18468	1.2
85.02895	16.1
86.93469	1.1
89.03899	7.0
90.77493	1.1
91.05487	4.2
94.04182	2.9
97.02895	5.5
98.07864	1.3
98.23368	1.3
99.04431	1.8
103.05466	2.5
105.07040	4.2
107.04954	4.6
109.02872	2.3
109.06522	2.9
111.04455	3.4
115.05465	1.9
117.03365	3.6
117.06997	1.4
119.08578	2.3
122.03622	7.3
127.03889	2.3
128.06183	1.9
131.04930	4.2
132.05685	1.6
133.06465	3.4
135.04398	30.0
137.02344	2.7
137.05962	100.0
138.06284	1.8
139.03880	4.8
142.53351	1.1
145.02884	3.1
145.04872	1.7
146.03581	1.9
147.08034	4.1
149.05984	1.7
153.07011	1.1
157.02863	4.1
159.08015	1.5
160.05219	1.7
161.05974	9.6
163.03885	54.4
163.07527	6.0
164.04343	2.2
165.06973	24.6
166.38322	1.1
169.06476	2.4
171.07983	2.0
175.07536	31.2
177.05528	1.3
177.07022	1.9
181.04951	23.3
181.06424	1.6
184.05194	1.9
186.03157	1.8
187.03966	2.9
187.07515	7.7
190.07811	3.0
191.08524	5.0
192.18646	1.2
193.06482	15.5
197.06000	3.2
199.07483	13.1
201.71104	1.2
202.07829	4.1
203.08495	8.4
205.06476	3.7
207.08034	1.6
209.06042	1.2
211.07538	3.9
213.01817	15.6
218.07228	2.2
219.08020	7.1
220.08817	1.4
221.05934	49.7
222.06438	3.1
225.05403	16.3
231.04465	1.7
231.07985	10.5
232.08914	3.1
233.06065	2.0
239.07008	11.4
246.06679	1.5
247.07533	2.9
248.08398	4.9
249.05449	56.6
250.06058	3.7
251.06996	1.3
251.10667	8.5
253.04825	5.9
255.06535	2.2
259.03937	2.5
259.07544	4.3
260.08182	1.7
263.10684	5.1
266.05392	1.2
267.06479	16.9
275.07053	1.8
276.07800	3.4
277.04959	52.0
277.08276	3.4
278.05499	3.9
279.06522	4.8
279.10126	6.2
281.04471	4.4
290.99536	1.3
291.10056	12.8
292.10901	4.3
294.05341	1.2
295.05981	95.9
296.06262	5.5
301.07104	3.8
305.04492	4.9
311.12814	14.4
323.05453	53.5
323.12698	17.5
324.05734	3.4
503.09341	4.1
503.18491	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63213	0.8
51.52472	0.9
53.03939	1.6
53.38965	0.7
55.01868	1.9
57.03425	2.0
61.02922	3.9
68.29202	0.8
69.03426	11.3
70.06586	1.1
70.70747	1.3
71.04967	1.5
73.02907	0.9
74.06181	0.7
79.05484	1.4
79.88166	0.9
81.03417	4.8
81.07029	0.8
83.04968	1.2
85.02901	29.4
86.09681	2.3
87.04502	0.9
89.03890	1.2
91.03932	1.6
91.05472	3.0
94.04178	2.5
94.36034	0.8
95.04989	1.3
97.02890	9.2
99.04447	1.3
103.05462	1.5
107.04961	0.8
109.02871	2.4
109.06505	1.6
111.04413	0.9
117.03371	1.2
119.04945	1.6
122.03643	6.6
125.05988	1.0
127.03905	5.5
128.06248	0.9
129.06999	3.2
129.82729	0.8
131.04909	3.0
135.04381	1.5
137.05966	100.0
138.06300	1.8
141.06999	2.0
144.05627	1.3
144.06618	1.6
145.02869	1.1
145.04927	3.6
147.04506	1.3
149.05971	1.2
151.07549	10.0
153.05437	0.7
157.06561	1.8
158.07193	2.3
163.03874	6.6
163.07530	3.3
165.05579	1.1
169.06445	1.8
171.06560	1.7
171.08038	1.2
172.05157	2.1
173.06033	0.9
174.06801	4.9
175.07552	4.3
177.05411	1.0
186.06754	1.1
187.07530	30.0
189.09131	9.9
191.08492	1.6
199.07574	1.6
201.09102	14.7
203.08592	2.4
208.08855	1.2
217.08577	13.1
219.08020	2.5
231.08008	3.3
232.08667	1.1
233.09471	1.0
235.07692	1.1
236.08430	1.2
247.07510	3.2
248.08278	4.1
249.05505	1.2
251.10703	2.6
253.08508	1.2
259.07648	1.9
260.08289	1.2
261.09125	1.7
263.10641	5.1
264.07748	2.3
265.08572	2.5
271.09573	2.3
276.07770	2.3
277.08438	1.4
279.10165	5.3
280.10709	1.1
282.08594	1.0
291.10086	9.3
293.08398	1.5
293.11746	2.3
296.10471	3.8
297.11218	1.3
310.12003	1.0
311.12717	12.6
312.12939	1.1
323.12747	20.0
324.13132	1.3
325.14304	12.4
326.14767	1.1
341.13797	17.2
408.77982	0.8
503.20618	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2099
Annotation	LY223982
Peak:m/z	Relative Intensity
56.07028	0.4
66.52814	0.3
69.24194	1.9
84.04365	0.3
87.97576	0.3
91.05813	0.4
104.99265	0.4
109.60007	0.3
151.52142	0.3
163.37367	0.5
167.05650	0.7
192.17155	0.3
199.57628	0.4
221.90135	0.4
272.60455	0.4
299.06146	0.5
313.79010	0.5
315.93091	0.4
371.16669	3.9
503.20947	100.0
504.21341	4.4
508.09357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95061	0.8
69.21290	5.1
81.03439	0.8
81.07056	2.1
91.05476	3.0
93.07047	0.9
95.04947	1.7
95.08614	0.9
100.77319	1.0
105.07027	1.0
109.06570	1.0
117.07001	2.3
119.04977	1.1
119.08602	1.8
121.06432	1.0
123.04180	3.5
131.08582	1.3
133.10132	1.4
145.06511	0.9
147.11752	1.5
175.47279	0.8
203.06741	4.8
204.07207	0.9
223.09390	100.0
224.09789	2.7
258.38416	0.9
285.10876	5.2
303.11987	91.4
304.12341	3.6
321.12891	1.2
344.14841	2.1
503.22534	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83671	0.3
91.05473	0.6
95.04956	0.9
97.06522	0.4
98.23500	0.7
103.97314	0.3
123.04169	3.2
144.13632	0.3
172.46693	0.4
223.09399	100.0
224.09703	1.7
241.10295	0.5
303.12015	12.5
503.22470	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	503.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.7
57.07044	0.4
59.15452	0.3
67.05499	1.9
69.07058	1.5
69.52299	1.2
79.05497	2.9
81.07050	4.9
83.08568	0.4
85.06473	0.3
91.05460	2.1
93.06551	0.3
93.07043	3.1
93.12711	0.3
94.59336	0.3
95.08135	0.3
95.08594	3.5
98.22684	0.5
105.06374	0.3
105.07024	6.1
107.01982	0.4
107.08584	8.4
109.10175	2.2
118.78860	0.4
119.08560	2.8
121.10149	2.8
123.04183	0.4
123.11669	0.9
133.10056	1.4
133.22691	0.3
135.11664	0.8
147.11650	3.5
159.48511	0.3
161.13196	1.3
163.14777	2.6
166.57680	0.3
183.06268	14.4
203.17876	1.4
223.09384	1.9
243.17142	0.4
283.11490	100.0
284.11865	3.2
287.50320	0.3
371.34802	0.3
391.81525	0.3
450.79843	0.4
503.29749	16.4
504.29996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58698	0.4
55.05507	1.2
57.07069	0.7
67.05497	1.6
68.16034	0.4
69.07043	1.1
69.21653	0.8
69.22057	1.6
72.68313	0.4
78.19790	0.4
79.05489	2.9
81.07060	4.4
83.05053	0.5
83.08625	0.6
85.06499	0.5
91.05477	2.5
91.68784	0.5
93.07056	2.6
94.07372	0.4
95.08603	2.3
99.62839	0.4
105.07025	5.0
107.08587	7.1
109.10146	1.9
119.08573	3.1
121.10117	2.2
123.11697	0.7
133.10150	2.9
134.10425	0.8
135.11711	0.8
147.11670	2.7
161.13231	0.7
161.60896	0.5
163.14804	1.8
171.10158	0.5
180.14340	0.4
183.06273	11.6
203.18019	0.7
223.09270	1.9
283.11493	100.0
284.11853	2.6
311.78659	0.5
334.76343	0.4
335.05405	0.4
387.09470	0.4
468.98615	0.4
503.29742	12.4
503.36060	0.5
504.29623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2978
Annotation	Thr Asn Leu Arg
Peak:m/z	Relative Intensity
55.05502	0.6
67.05499	2.4
69.16498	1.0
69.16904	1.8
79.05473	1.0
81.07041	2.5
83.08627	0.5
91.05435	0.7
93.07044	1.3
95.04929	0.4
95.08628	0.8
101.71332	0.4
107.08605	0.9
109.10147	0.5
119.08528	0.6
121.10146	0.5
131.08554	0.7
133.10135	0.6
149.13272	0.9
167.05519	1.1
235.12990	4.6
240.92068	0.5
267.79883	0.5
269.17569	1.3
291.15570	4.4
294.28589	0.4
299.06067	0.6
416.72736	0.5
503.29733	100.0
504.30145	6.4
528.04883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01863	3.4
55.05507	39.1
57.03434	17.7
59.04990	4.6
61.02937	2.8
64.42106	1.2
65.09189	1.5
69.03426	16.2
69.98824	1.4
70.94235	1.4
71.04975	3.4
72.25803	1.3
73.02908	3.9
73.06551	21.9
79.05486	1.4
81.03407	13.3
81.07060	2.3
83.04971	19.1
85.02898	35.5
87.00823	15.4
91.05474	16.4
93.07040	1.5
95.04957	3.6
95.08596	3.2
97.02882	15.2
99.04440	6.3
101.06010	97.9
102.06339	2.5
103.05457	5.5
105.01875	14.4
105.07003	3.8
109.02859	17.3
117.06970	1.6
119.04948	2.4
119.07056	3.6
119.08568	1.9
121.06496	13.4
123.04436	3.9
127.03914	24.8
129.01793	1.6
133.10126	1.6
135.04379	1.7
137.06003	1.7
143.69257	1.4
145.04950	10.8
145.10091	1.7
159.02881	5.5
163.03897	5.7
165.05493	1.9
172.69817	1.5
179.14409	1.4
203.10658	2.1
203.17728	1.6
213.03925	1.8
221.11707	100.0
222.12123	2.6
231.04993	5.5
249.05672	1.7
263.71069	1.3
279.06113	1.8
295.06049	1.9
460.19070	7.6
469.96094	1.6
504.17511	18.8
511.64063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01863	3.4
55.05507	39.1
57.03434	17.7
59.04990	4.6
61.02937	2.8
64.42106	1.2
65.09189	1.5
69.03426	16.2
69.98824	1.4
70.94235	1.4
71.04975	3.4
72.25803	1.3
73.02908	3.9
73.06551	21.9
79.05486	1.4
81.03407	13.3
81.07060	2.3
83.04971	19.1
85.02898	35.5
87.00823	15.4
91.05474	16.4
93.07040	1.5
95.04957	3.6
95.08596	3.2
97.02882	15.2
99.04440	6.3
101.06010	97.9
102.06339	2.5
103.05457	5.5
105.01875	14.4
105.07003	3.8
109.02859	17.3
117.06970	1.6
119.04948	2.4
119.07056	3.6
119.08568	1.9
121.06496	13.4
123.04436	3.9
127.03914	24.8
129.01793	1.6
133.10126	1.6
135.04379	1.7
137.06003	1.7
143.69257	1.4
145.04950	10.8
145.10091	1.7
159.02881	5.5
163.03897	5.7
165.05493	1.9
172.69817	1.5
179.14409	1.4
203.10658	2.1
203.17728	1.6
213.03925	1.8
221.11707	100.0
222.12123	2.6
231.04993	5.5
249.05672	1.7
263.71069	1.3
279.06113	1.8
295.06049	1.9
460.19070	7.6
469.96094	1.6
504.17511	18.8
511.64063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35399	0.7
79.70874	0.3
81.73466	0.4
90.76026	0.3
160.33026	0.5
194.77084	0.4
314.17615	0.9
347.61337	0.4
350.13800	0.5
351.14578	0.4
364.15533	0.4
365.16220	0.5
366.16849	0.6
380.15009	1.2
381.15866	1.0
390.20981	0.7
392.18518	1.1
394.16357	2.9
395.17087	1.8
404.22433	0.4
406.15762	0.8
406.20282	1.7
407.21030	0.6
418.16119	0.6
418.24030	0.7
420.17569	4.5
432.25519	0.5
433.18973	0.8
433.26312	0.5
434.19473	4.0
435.20374	5.2
436.21106	1.5
444.17856	1.6
446.23676	5.3
448.21094	1.5
448.28143	0.8
449.22046	0.7
459.20331	1.0
460.20587	0.6
461.25461	0.9
462.22751	0.5
472.24509	0.6
474.22656	12.8
475.23032	0.5
476.27975	8.3
489.25034	7.9
504.27414	100.0
505.27658	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	504.28
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81451	10.4
71.05057	12.4
74.95837	10.2
85.02919	15.8
94.80224	11.3
95.08611	12.4
97.02905	13.0
105.01842	11.8
105.06970	12.0
105.15832	9.9
107.08601	14.0
109.10246	11.6
140.10094	11.8
174.59839	9.5
203.17787	14.4
228.09592	11.2
406.83398	11.3
505.20419	100.0
530.15839	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23912	18.0
53.36037	16.5
67.05491	23.0
69.03423	38.3
81.03403	20.1
81.07045	41.8
85.02888	75.6
87.00822	49.2
89.10214	19.6
94.95319	21.3
95.08601	33.8
96.63740	17.4
97.02887	24.1
105.01836	48.3
110.73605	17.5
119.08566	51.5
127.03909	69.9
145.04979	30.9
164.68135	18.0
177.22379	18.5
203.17938	55.0
215.11140	16.9
264.06393	20.5
268.09674	20.0
296.09171	51.4
324.08624	37.0
477.69525	20.1
504.12656	52.1
505.20206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69024	2.0
53.03936	5.6
55.01864	5.5
55.05499	8.1
57.03423	3.3
57.07079	3.4
58.10947	1.9
61.02932	2.2
67.05505	18.6
69.03432	19.8
69.07061	18.4
69.10025	6.1
69.10435	7.5
71.04983	3.1
73.02929	5.0
73.17052	2.0
79.05483	8.7
81.03418	16.5
81.07054	55.4
83.08610	6.0
85.02896	50.3
85.06535	3.7
87.00822	19.2
91.05476	11.6
91.25223	2.2
93.07038	19.3
95.04950	4.2
95.08603	45.4
97.02889	25.9
97.06522	5.8
97.10176	3.2
98.22739	5.6
99.04461	6.6
103.03861	2.3
105.01863	28.6
105.06350	3.6
105.07026	55.3
107.08576	22.2
109.02863	13.6
109.10165	32.9
117.01858	2.4
119.08577	84.3
119.09427	4.5
121.10151	16.5
123.11700	21.9
127.03907	37.6
131.08549	5.5
133.10115	26.0
135.11690	9.1
137.13234	6.1
145.04936	21.1
145.10101	5.3
147.04398	4.5
147.11681	58.9
149.13261	7.1
159.02853	10.9
159.11676	3.9
160.12454	3.4
161.13246	15.9
175.14830	3.1
203.17940	100.0
204.18227	3.5
211.49843	2.3
213.03889	2.3
221.19000	19.4
231.04947	15.4
239.08900	4.1
243.94333	2.3
247.02737	2.3
248.07750	2.6
249.06009	6.3
253.07050	3.0
266.08893	2.9
284.09735	12.3
289.14084	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01875	3.3
55.05501	10.6
56.30045	2.2
60.00227	2.3
61.02905	3.9
65.58396	2.2
67.05507	19.4
68.99770	3.8
69.03420	14.5
69.07069	18.1
69.19305	11.6
70.90749	2.7
71.04980	4.8
77.63536	2.3
79.05483	14.1
81.03407	10.9
81.07050	73.4
83.08601	3.5
85.02909	32.9
87.00819	10.6
89.84444	2.3
91.05458	14.2
93.07051	22.5
95.04944	5.8
95.08597	77.3
97.02868	12.0
97.06522	5.4
97.10141	2.9
98.23441	5.7
99.04458	6.0
105.01855	15.3
105.07027	63.7
107.08586	24.2
109.02850	13.1
109.10141	39.4
117.07004	4.7
119.08577	100.0
120.52676	2.7
121.10144	24.2
123.11703	30.7
127.03922	24.4
131.08603	3.9
133.10123	30.9
135.11696	13.6
137.13292	2.2
143.27364	2.3
145.04924	10.7
145.10077	5.6
147.11676	53.7
149.13293	12.6
159.02872	11.1
159.11685	3.0
161.13242	12.3
163.14806	3.6
175.14728	3.3
175.74071	2.6
203.17940	95.7
203.19853	5.1
204.18336	3.8
205.19505	8.9
221.19022	10.8
231.04868	4.5
272.95016	2.4
504.21609	2.4
522.42188	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	505.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.03935	1.2
55.01872	0.5
58.26260	0.5
64.04762	0.5
65.03927	2.5
67.05495	0.7
70.02376	0.5
71.42833	0.6
77.03916	1.5
79.05470	0.6
81.07047	0.6
85.02869	0.7
91.05471	17.8
93.03396	2.2
93.07028	1.4
95.04958	57.7
96.05280	0.5
103.05463	3.9
105.04503	2.8
105.07024	0.5
107.04955	3.3
109.06494	1.6
111.04440	7.3
117.03371	0.6
119.04930	55.6
120.05252	0.7
121.02865	1.0
121.06494	2.7
123.04417	100.0
123.16956	0.5
124.04746	1.0
129.03392	0.6
131.04933	0.8
135.04404	4.5
137.02335	7.6
137.05974	2.0
139.03871	10.3
147.04390	35.5
148.04742	0.8
152.06137	0.6
153.07018	0.9
157.02692	0.5
159.04407	0.7
161.05962	0.8
163.03928	3.4
165.05486	66.2
165.06963	10.5
166.05804	1.5
169.06497	1.6
176.06158	1.4
177.05566	1.0
177.06917	2.7
181.04942	5.4
181.06464	2.0
183.07948	0.7
186.03183	0.7
187.03951	2.4
193.06467	6.2
194.07182	0.6
195.08038	2.3
196.05185	0.7
197.05974	3.7
203.03360	5.1
205.06482	4.9
210.06667	0.7
211.07515	3.1
213.01857	1.1
215.06966	0.9
221.05946	21.2
222.06636	1.4
223.07497	6.5
225.05431	7.8
231.02814	0.8
233.05934	4.7
234.06639	1.2
235.07596	0.8
236.04616	0.9
237.05502	2.6
239.06996	8.9
240.07697	0.8
249.02841	1.2
249.05450	24.1
250.06139	3.0
251.07048	6.7
252.04156	4.2
253.04927	7.1
255.06473	3.5
259.03860	0.8
261.05576	2.4
265.04938	2.6
266.05707	1.9
267.06476	10.3
269.08099	0.7
271.06012	1.5
277.04926	18.1
278.05472	1.5
279.06491	18.5
281.04398	8.5
284.03104	1.5
285.07437	1.1
289.04996	0.8
294.05280	0.9
295.05988	47.7
296.06335	2.3
297.07605	3.2
299.09280	0.8
305.04416	3.7
307.05920	6.3
313.07059	12.3
314.07166	0.7
323.05457	45.0
324.05878	1.6
325.06979	1.6
341.06500	3.7
389.58356	0.6
477.11563	0.7
504.35776	0.7
505.11392	2.1
505.20343	14.9
528.44153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35788	0.5
53.03938	1.8
55.01874	0.5
65.03939	5.2
67.05499	1.2
77.03928	2.1
79.05489	2.1
81.03416	0.8
81.07057	1.8
83.74029	0.5
85.02923	1.2
89.03897	0.9
89.88728	0.5
91.05474	19.1
93.03405	6.3
93.07026	1.8
95.04964	54.5
95.08577	1.0
96.05286	1.1
98.22610	1.1
103.05457	3.9
105.04510	3.7
105.07016	0.6
107.04944	7.2
109.06537	2.4
111.04442	17.2
111.84410	0.5
117.03406	0.9
119.04937	53.4
120.05261	0.6
121.02847	3.5
121.06493	3.8
122.06776	0.7
123.04422	100.0
124.04755	1.5
127.03957	1.0
131.04913	0.8
135.04411	17.9
137.02348	6.9
137.03365	1.1
137.05981	3.7
139.03894	27.8
141.06961	0.7
145.02812	1.4
147.04398	36.7
148.04752	0.8
152.06242	1.5
153.05484	0.5
153.06944	0.8
157.02864	0.7
159.04456	2.1
163.03899	12.1
165.05495	59.5
165.06973	10.3
166.05792	1.4
166.07439	0.6
167.08534	1.8
168.05742	0.7
169.06531	1.2
176.06206	2.0
177.05511	1.3
177.06992	4.4
181.04973	16.5
181.06476	2.6
183.07994	0.9
187.03864	2.3
193.06479	6.1
194.07193	1.1
195.08067	3.7
197.06024	2.9
203.03360	7.1
205.04692	0.9
205.06491	9.3
205.52028	0.5
207.08063	2.1
209.05997	0.9
211.07475	2.6
213.01833	2.1
221.05968	19.0
222.06516	1.2
223.07523	10.9
225.05469	6.5
231.02861	2.1
233.05963	11.4
234.06665	2.2
235.07593	1.5
236.04688	3.4
237.05360	4.8
239.07019	9.2
240.07625	0.9
249.05452	24.5
250.06155	4.3
251.07031	13.2
252.04205	3.6
252.07672	0.7
253.04962	6.5
255.06467	3.4
261.05441	4.8
262.06030	1.0
263.07080	1.6
265.04904	4.1
266.05701	1.2
267.06491	9.7
268.03595	1.0
268.07083	0.6
269.08234	0.5
271.05945	1.5
277.04956	16.1
278.05682	1.8
279.06503	38.7
280.06897	1.9
281.04446	8.8
281.07999	2.5
283.06235	0.7
283.09641	0.7
284.03152	1.6
285.07574	1.7
289.04916	2.7
295.05991	43.0
296.06345	1.6
297.07535	5.3
299.09198	0.6
305.04449	3.4
307.05988	22.0
307.26523	0.6
308.06439	1.8
313.07004	11.5
323.05478	40.5
324.05905	1.9
325.06839	2.4
341.06503	4.5
363.66016	0.6
395.09488	0.5
431.10944	0.9
505.11221	2.9
505.17578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37138	0.5
69.16584	3.1
85.02888	1.5
91.03970	0.7
123.04445	0.9
135.04427	1.0
145.02919	0.7
162.05463	2.7
163.03900	1.5
163.05969	1.5
165.05476	0.9
177.01651	2.5
185.16034	0.6
190.02432	1.0
192.03918	16.0
193.04672	2.3
323.05594	0.6
335.07343	3.6
352.96542	0.6
474.11298	1.9
475.11841	1.2
505.13123	100.0
506.13538	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.5
65.03928	0.9
68.92853	0.5
69.03417	1.8
74.86077	0.5
81.03411	4.1
81.06237	0.7
85.02904	1.2
91.05473	11.2
91.41375	0.5
97.02866	0.7
103.05450	0.8
107.04931	0.8
109.02901	1.2
117.03432	0.6
119.04933	23.6
122.03680	0.5
127.03905	1.0
131.04903	1.0
135.04391	1.8
137.05974	6.7
145.02806	1.3
147.04395	100.0
148.04752	1.1
163.03908	8.1
163.07547	1.2
165.05449	4.1
175.07520	0.8
241.46024	0.6
249.07622	2.5
257.07947	0.9
279.26593	0.5
279.35883	0.5
291.08636	6.4
309.06448	0.6
309.09521	3.0
466.49179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51540	1.8
55.01873	2.6
65.03938	2.9
68.56472	1.6
69.15788	10.3
70.06575	2.1
72.08137	1.7
73.03604	1.7
79.05474	3.9
81.03401	2.7
83.18465	1.7
84.04495	22.3
85.02872	3.5
89.03903	4.2
91.05470	22.6
95.04939	2.0
101.07076	2.5
105.03379	6.8
105.07001	4.7
107.04949	1.9
109.06490	3.9
116.55160	1.6
117.03366	16.6
119.04929	30.7
121.06478	2.1
123.08107	2.0
130.04993	25.7
131.04970	2.2
131.07080	2.8
133.06453	3.9
135.04349	2.0
137.05946	27.9
145.02834	42.4
147.04416	12.1
147.07632	31.2
149.05937	5.8
151.07515	20.2
161.05969	7.9
162.06709	2.9
163.03918	4.8
175.07529	6.1
177.05450	100.0
179.07007	16.6
187.07516	3.8
205.08650	4.5
224.50914	1.9
261.45596	1.7
279.10291	2.1
309.11081	5.5
311.12762	2.6
317.08932	1.9
321.09756	2.0
339.10675	6.3
461.19653	3.7
473.15561	2.3
505.12473	2.3
505.22253	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	505.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31629	0.3
55.05502	0.7
67.05493	0.6
69.03422	0.3
69.16560	0.7
69.16959	1.4
79.05473	0.6
81.07051	1.6
85.02906	0.7
91.05473	1.8
93.07030	1.6
95.04988	0.4
95.08607	0.9
98.23495	0.6
105.07044	1.8
107.08575	1.2
119.08591	1.1
121.10177	0.5
126.99996	0.3
127.03893	0.4
128.06259	0.3
129.06967	0.4
131.08580	1.0
133.10136	1.0
142.07742	0.5
143.08553	1.1
145.10103	0.4
147.11710	0.5
157.10118	0.8
159.11717	0.8
163.03833	0.3
167.03267	0.4
185.04224	0.6
203.05211	0.8
217.15887	0.8
227.05244	1.0
229.03032	0.4
232.68704	0.3
245.06328	2.5
251.75571	0.3
257.15186	1.1
271.04187	2.2
289.05261	13.3
289.08456	0.7
349.90070	0.4
401.19043	0.4
419.20349	2.8
443.20386	0.6
461.21429	10.6
461.28024	0.6
462.21799	0.5
473.94461	0.4
487.19363	1.6
505.20377	100.0
506.20679	4.7
513.64233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.7
53.03952	5.0
55.05507	2.7
55.56574	2.1
65.03925	4.1
72.23808	2.3
79.05470	6.5
81.03398	4.5
81.07103	2.5
83.04971	9.7
85.02903	5.0
91.05471	34.5
93.07040	5.1
94.02067	2.2
95.04962	57.2
95.05535	4.6
99.04468	14.2
103.03978	3.4
103.05457	52.2
104.91342	2.0
105.04510	6.0
105.07012	11.8
105.90754	2.6
107.04945	39.2
107.08630	2.7
109.02866	7.0
111.04448	3.1
115.05465	4.3
119.04937	60.0
119.08624	3.0
121.06532	11.1
123.04424	96.7
126.18187	2.3
127.03923	15.7
128.06232	2.8
129.07002	9.2
131.03958	5.2
131.04924	92.6
131.05901	5.2
131.08563	4.1
133.02840	2.2
133.06500	15.1
133.10095	3.7
135.04359	3.6
135.08075	3.2
136.05176	5.1
137.02394	4.3
137.05960	25.1
139.03966	4.0
145.07889	2.4
147.04413	35.0
147.08070	3.5
148.05176	2.9
151.03967	4.3
151.07536	9.4
157.06441	7.6
161.05966	52.3
161.09598	21.0
163.03871	7.1
163.07529	40.1
164.04709	5.0
165.05493	62.9
165.06973	9.5
165.09114	10.4
167.07045	10.7
167.08400	2.7
169.06512	3.4
174.06781	5.2
175.07521	3.0
177.05530	2.7
177.06972	3.6
179.07027	30.5
179.08475	3.9
180.07796	22.8
181.04950	12.4
181.08630	10.9
187.03882	3.8
189.09088	100.0
190.09497	2.7
191.08496	2.2
193.06499	4.4
195.08049	4.1
197.06004	5.2
203.03365	5.1
205.06461	4.4
207.08374	2.5
207.10156	46.6
211.07480	4.0
219.08109	2.4
221.05963	17.4
221.08064	17.9
223.07509	7.5
225.05455	8.8
225.08986	3.3
233.06018	2.9
237.09047	3.0
239.07001	8.7
240.07861	3.3
249.05455	20.9
250.06204	2.6
251.07002	7.9
252.04164	3.3
253.04948	5.8
255.06479	5.0
255.10123	2.9
267.06528	5.9
269.08014	2.9
271.06058	2.9
277.04807	14.3
279.06552	11.4
281.04309	10.9
295.06030	45.0
297.07678	4.0
307.05939	7.8
309.07507	3.1
311.12839	4.6
313.07089	12.2
315.12268	14.7
323.05438	39.6
324.05603	4.1
341.06406	2.4
343.15295	16.2
361.16428	7.7
469.18442	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	505.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
63.88260	2.1
69.72751	5.3
73.77673	2.1
74.96982	2.2
79.05473	3.3
81.07078	3.0
83.75584	2.0
85.02895	2.4
94.04200	3.9
103.05439	2.8
105.07032	16.0
115.05458	6.5
122.03619	5.9
123.04446	3.5
131.04881	4.8
131.08540	2.6
133.06499	5.9
137.05971	88.0
145.02856	4.6
146.03586	7.3
147.04422	3.8
151.07471	3.7
161.05969	84.4
163.03938	8.2
163.07549	5.2
165.07079	2.7
173.09740	3.3
175.07530	38.5
177.05557	2.6
179.08629	4.9
181.06409	2.5
190.07805	4.0
194.07291	6.3
196.08757	2.5
201.09140	2.3
204.74854	2.6
205.06427	4.0
205.10112	3.9
207.08022	6.1
215.08459	2.9
218.07355	4.5
219.10167	7.3
221.05919	4.3
222.06769	6.0
224.08398	3.2
233.09612	7.3
235.07460	6.3
237.05550	4.7
237.09119	8.2
239.10678	3.6
247.07648	2.5
249.09044	4.6
250.06210	6.7
250.09901	5.8
252.07823	6.4
261.09164	10.6
262.09793	3.0
263.07077	2.7
264.07837	6.1
265.08578	35.9
265.12070	5.6
267.10065	5.4
268.10767	2.8
269.08127	2.6
277.08563	3.6
278.09372	7.9
293.11655	20.9
294.12314	2.6
297.11255	11.2
299.12692	4.5
310.12140	2.2
311.12750	100.0
311.16388	4.7
312.13260	4.0
325.14337	5.8
343.15405	67.6
531.58923	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75779	0.9
56.18401	1.0
69.57991	0.9
71.43106	0.8
79.05486	1.1
81.07050	1.1
94.02789	1.1
95.08599	1.8
105.07032	1.4
145.10188	1.2
193.04961	1.6
222.13541	1.2
239.06789	100.0
271.56436	1.0
305.11469	57.5
405.16592	2.0
502.52509	1.1
505.21954	78.5
506.22403	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	505.22
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78965	3.2
70.29860	3.3
70.30173	4.7
87.17272	3.5
98.23396	4.1
108.56979	3.0
117.75750	3.2
130.86955	3.9
132.37997	4.0
134.04005	3.0
143.14516	3.0
145.10085	3.9
239.06766	28.2
305.11456	100.0
365.46918	3.4
371.09656	7.1
505.22086	70.7
506.21832	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	505.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23176	0.6
67.05476	0.7
73.33875	0.6
79.05487	1.1
91.05466	2.2
93.07034	1.1
95.08585	1.1
95.65873	0.6
105.06992	1.4
107.04970	1.1
108.47589	0.7
117.06998	1.2
119.08596	0.9
131.08591	1.4
132.04408	0.7
133.05202	0.7
139.03661	2.0
143.08537	1.1
145.10165	1.3
147.11710	0.8
153.01817	2.3
163.03891	2.6
175.28722	0.6
202.53532	0.6
203.17839	0.9
204.18295	0.7
239.08885	100.0
240.09225	3.0
257.08017	1.9
271.13113	0.8
289.14072	44.7
290.14468	1.7
376.95508	0.6
379.55692	0.8
419.20618	1.1
461.21347	2.1
505.23645	19.7
506.24396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.0
52.93700	0.9
54.12922	0.9
60.89631	0.9
62.86150	1.0
67.05499	1.2
69.23259	5.9
69.63004	0.9
79.05460	1.5
83.04967	1.5
85.02883	1.3
91.05471	3.5
95.04969	3.3
97.06484	1.2
105.07059	2.6
119.08583	1.3
123.04216	3.5
128.47473	1.0
139.03886	1.0
139.31775	1.2
161.09680	1.3
166.08665	1.1
190.39250	1.0
203.17929	1.3
223.09409	88.9
224.09760	1.7
247.09413	18.3
275.68979	1.1
283.42667	1.0
289.05258	1.9
297.93906	0.9
305.13580	100.0
306.13916	3.8
356.81955	1.1
455.78604	1.1
461.21432	1.4
505.23581	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	505.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46542	0.4
55.05449	0.5
62.39616	0.4
67.05447	0.8
69.07001	0.5
69.19218	2.7
79.05413	1.5
81.06985	1.3
88.87783	0.4
91.05474	2.8
93.06960	1.6
95.04915	0.9
95.08533	1.6
98.81655	0.4
99.07983	0.6
103.05383	0.7
105.07024	3.6
107.08535	1.1
109.10087	1.1
115.05359	0.5
117.06958	1.7
119.08516	2.0
121.10088	0.9
123.04251	0.5
128.06223	0.9
129.06926	1.0
130.07758	0.5
131.08542	2.3
133.10039	1.2
135.04326	0.8
135.11559	0.7
142.07797	0.5
143.08484	0.9
145.02809	0.5
145.10121	2.8
147.11629	0.7
155.08592	0.5
157.10123	0.5
159.11577	0.9
163.03896	3.9
163.14893	0.5
173.09583	0.8
173.13315	0.4
177.16492	0.6
181.38882	0.5
187.14703	0.7
199.14708	0.6
201.16364	1.0
203.17886	0.8
205.15804	0.5
233.76244	0.4
239.08879	37.9
240.09180	1.0
271.13141	3.1
289.14072	100.0
290.14493	3.5
303.62183	0.5
466.74210	0.5
469.32529	0.5
505.24176	16.6
506.24390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.1
51.02377	0.2
53.03940	0.2
55.01856	0.1
63.02356	0.2
65.03913	0.7
66.04706	0.3
67.05485	0.4
69.17433	0.3
69.17834	0.4
75.04471	0.9
77.03908	0.3
78.04699	0.8
79.05482	2.1
80.06263	1.0
81.03382	0.2
81.07059	0.2
89.03891	0.4
90.04684	1.3
91.05468	6.0
92.05753	0.1
92.06252	0.3
93.03373	0.3
93.07039	0.8
94.04191	0.2
95.04964	1.6
95.08572	0.1
103.05447	0.9
104.06234	0.1
105.03371	0.8
105.04489	0.6
105.05489	0.2
105.07014	1.4
106.04154	1.2
107.04941	9.4
107.08546	0.2
108.05729	4.5
109.06521	1.6
111.04440	0.1
115.05422	0.8
116.06247	0.2
117.06998	0.8
118.04148	0.7
119.04944	0.6
119.06036	0.3
119.08522	0.2
120.05701	0.8
121.02863	0.5
121.06492	3.4
122.03635	0.2
122.07266	0.4
123.04442	1.2
123.08064	1.3
127.05429	0.1
128.06213	0.4
129.06979	0.9
130.07701	0.1
130.09285	0.1
131.04893	0.9
131.08551	0.5
132.05658	0.2
133.02853	0.1
133.06453	1.3
134.03583	0.2
134.07213	0.3
135.04399	3.9
135.08057	1.7
136.05182	9.8
137.05966	4.4
137.09584	0.2
138.06744	1.8
139.07509	0.8
141.06976	0.3
142.07751	0.2
143.04878	0.4
143.08540	0.4
144.05667	0.6
145.06465	2.2
146.07266	1.5
147.04405	0.3
147.08028	1.9
148.05171	9.6
149.05916	1.2
149.07079	0.2
149.09564	0.4
150.06738	2.1
151.04079	2.2
151.07521	100.0
152.04581	0.2
152.07857	2.3
153.05453	0.6
153.09044	0.8
154.09431	0.1
155.06017	0.2
156.05621	0.2
157.06522	1.0
158.07248	1.6
159.04376	0.3
159.08029	2.6
160.05176	0.3
160.08827	1.2
161.05956	2.2
161.09543	0.5
162.06744	0.6
163.07521	3.6
164.08292	1.6
165.05466	1.6
165.09096	9.2
166.06235	17.3
166.09338	0.3
167.07025	2.4
168.07768	0.7
169.08658	0.3
170.07251	0.2
171.08041	2.3
172.05244	0.1
172.08818	1.9
173.05971	3.0
173.09590	1.3
174.06749	1.9
175.07510	1.8
176.08310	2.1
177.05463	0.4
177.09085	8.2
178.06226	0.2
178.09610	0.3
179.06979	0.5
179.10645	1.5
180.07796	2.0
181.08568	69.9
182.08952	1.9
183.10117	0.7
185.05930	0.2
185.09628	0.6
186.06686	0.5
186.10388	1.7
187.07510	3.5
187.11118	0.2
188.08301	5.4
189.05467	0.2
189.09062	5.8
190.06265	0.1
190.09854	1.4
191.07080	0.6
191.10641	3.4
192.07799	0.2
193.08585	2.5
194.09283	0.3
195.10136	4.3
199.07654	0.1
200.08299	0.3
201.09084	5.1
202.09854	5.4
203.06996	1.3
203.10638	9.7
204.07799	0.4
204.11032	0.3
205.08559	1.0
206.09355	0.5
207.08290	0.2
207.10129	2.4
209.11713	0.4
215.10599	1.2
216.07997	0.2
216.11426	3.9
217.08882	1.3
217.12196	7.9
218.09262	0.7
218.12599	0.3
219.10126	1.3
221.11684	1.3
225.13786	0.1
231.10117	0.5
232.10921	0.7
233.11681	3.6
234.12112	0.2
237.57143	0.1
239.10585	0.1
247.11334	0.3
247.13258	7.6
248.13538	0.4
262.13464	0.1
263.10498	0.2
289.12280	0.3
290.13031	0.3
291.10217	0.1
292.11081	0.1
293.15201	0.4
295.13016	0.2
307.13202	0.4
308.13821	0.1
311.16110	0.1
321.14880	0.8
322.15524	0.5
323.12759	0.3
323.16357	0.5
337.14236	0.1
338.15082	0.3
339.15857	0.7
340.16614	0.2
353.17435	2.3
354.18188	5.0
355.15115	0.4
355.19043	0.6
370.17688	19.7
371.18149	1.0
383.18454	0.5
385.20029	18.2
386.20291	1.0
403.21109	0.8
505.20297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3522
Annotation	Yardenone A
Peak:m/z	Relative Intensity
51.83754	3.3
55.05503	9.8
59.04952	3.6
67.05487	13.6
69.07060	9.0
69.54464	16.2
79.05486	14.5
81.07047	38.4
83.04971	6.4
83.08605	5.8
85.06509	3.6
89.03892	4.9
89.34509	3.7
91.05475	27.2
93.07036	36.6
95.04966	7.0
95.08599	44.6
97.06490	3.2
99.08080	16.2
105.07018	71.3
107.08575	53.2
109.10150	20.3
110.09646	5.3
111.08054	3.9
117.03379	5.4
117.06992	12.7
118.48048	3.1
119.08568	100.0
120.08950	3.7
121.10128	33.4
123.08077	4.2
123.11683	15.4
129.06999	6.4
131.08557	63.3
131.09477	6.2
133.10129	56.4
135.04408	11.5
135.08064	4.8
135.11670	18.0
137.05962	7.2
138.09132	3.9
142.07745	7.1
143.08542	13.4
145.02832	11.9
145.10097	77.7
147.11673	64.5
149.13242	14.5
157.10130	19.3
159.11673	38.7
161.05962	4.1
161.09532	8.2
161.13255	18.0
163.03888	65.2
163.14810	10.1
166.08646	11.6
169.10078	6.3
171.11650	21.4
172.03966	4.4
172.12428	4.5
173.13234	44.9
175.14828	27.8
177.12764	4.0
177.16344	24.6
185.13225	22.6
187.14809	71.7
189.12753	6.7
189.16383	22.4
191.14319	9.9
194.07469	3.6
197.13280	7.6
199.14813	28.8
201.16364	46.8
203.14316	16.5
203.17934	6.9
205.15866	76.8
207.17496	5.2
211.14882	8.4
213.16357	11.8
215.14369	6.5
215.17882	5.4
217.15907	10.4
219.17455	8.4
221.15385	4.9
225.16347	4.4
231.17368	5.3
253.19611	4.4
255.20987	4.0
265.09607	3.3
311.12708	4.8
341.11612	4.1
343.15524	5.7
377.32172	4.5
387.30435	8.0
393.31476	13.4
405.31519	29.3
406.31763	5.3
411.32700	7.3
423.32605	32.2
433.30942	3.9
439.31766	8.2
451.32043	13.7
469.33151	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	506.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01859	0.6
55.05497	0.6
63.02368	0.5
67.05502	0.8
69.03409	1.1
69.07050	0.5
69.44914	1.0
77.03934	0.4
79.05492	3.4
81.03403	0.6
81.07047	0.5
85.02897	0.9
87.00834	0.7
89.03910	11.3
89.04462	0.8
91.05463	2.9
93.07028	1.0
95.04949	3.8
95.08578	1.0
97.02888	0.5
99.78893	0.4
104.04993	2.0
105.01865	0.8
105.03404	0.5
105.04483	0.7
105.07018	0.7
107.04943	39.9
109.02859	0.5
109.06449	0.5
109.10164	0.4
110.09678	0.6
117.03366	10.2
117.05711	0.6
119.04951	2.8
119.08570	0.5
120.04462	0.6
121.06470	1.2
122.22342	0.4
123.04372	0.6
127.03899	1.2
132.04440	15.0
133.02844	0.9
133.05222	16.2
134.06081	0.6
135.04396	21.8
137.05966	0.8
137.53473	0.5
138.09062	0.6
141.00098	0.4
144.04436	0.8
145.02829	12.9
145.10100	0.6
146.05995	1.4
147.04398	5.2
148.03917	4.1
148.07553	1.0
149.04768	0.6
150.05486	0.5
158.05960	0.5
159.02989	0.6
160.03918	0.5
161.04720	2.1
162.05453	1.1
163.03886	100.0
164.04228	1.4
165.05559	0.4
165.07060	0.5
166.08685	0.7
172.03911	2.4
174.05534	0.8
175.03839	0.4
175.06281	0.8
176.07030	10.3
178.05003	1.7
183.06815	0.5
190.04955	1.4
196.07559	1.4
200.03297	1.9
202.04979	1.6
204.06566	2.3
205.19220	0.4
208.07634	0.5
209.08321	1.8
210.09157	1.1
211.06261	1.2
212.06938	0.7
220.07552	1.8
221.08315	0.8
222.09102	1.0
224.07060	1.1
225.07803	0.4
226.08534	2.8
228.10083	0.6
232.05954	0.8
236.07118	1.5
237.07832	2.1
238.08662	3.3
239.09042	1.5
240.06566	1.2
240.10020	0.6
241.07384	1.4
248.06987	1.1
249.07796	1.5
249.10127	0.5
250.08618	1.3
251.09482	0.8
252.06575	0.5
252.10246	0.7
254.08064	4.7
254.10632	0.6
254.11513	0.4
255.08881	2.3
256.09634	0.9
264.06503	1.0
265.07230	4.0
266.08081	4.2
267.08939	2.0
268.09680	1.8
269.06802	2.3
269.10168	0.5
270.11240	0.5
275.05344	0.4
280.09656	5.3
281.10303	0.5
282.11215	8.8
284.09140	24.1
285.09418	0.6
287.03687	0.7
289.05280	2.3
290.08087	0.7
292.06149	0.5
293.06763	7.5
296.09033	2.2
298.05563	0.9
298.10715	17.5
299.11047	0.8
300.08710	0.4
308.09155	8.0
311.07803	1.4
326.10184	35.3
327.10461	0.7
342.09589	1.0
344.11243	31.2
345.11499	1.4
420.20462	1.0
461.21460	0.5
462.21649	2.4
463.22910	1.4
488.18488	0.6
505.19910	0.8
506.13968	0.9
506.20663	9.1
507.21875	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	506.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22412	0.5
55.01868	0.7
67.05484	1.0
69.03433	0.8
79.05479	3.9
81.03394	1.2
81.07054	1.4
85.02888	2.0
87.00826	1.2
88.82287	0.6
89.03913	11.9
91.05474	3.6
95.04965	3.4
95.08593	2.1
97.02870	1.0
104.04984	1.7
105.01862	1.1
105.04527	1.0
105.05757	0.8
105.07021	1.5
107.04948	40.9
107.08591	0.7
109.02852	1.1
109.10197	0.6
117.03380	10.7
118.07255	0.7
119.04906	2.7
120.04475	0.7
121.06464	1.5
123.04408	1.2
127.03909	2.1
130.34502	0.5
132.04442	16.0
133.02798	0.8
133.05235	19.0
135.04414	21.4
137.05942	1.0
144.04472	0.7
145.02850	13.3
145.05075	0.8
146.05974	1.5
147.04417	3.5
147.11661	0.7
148.03900	3.1
148.07613	0.6
150.05371	1.1
158.05933	0.6
159.03052	0.7
160.03943	1.3
161.04720	2.5
162.05675	1.3
163.03896	100.0
164.04187	1.7
164.06961	0.8
166.08614	0.8
172.03946	1.6
174.05518	0.9
175.06235	0.7
176.07057	11.8
178.05034	1.4
190.04984	0.7
196.07507	1.4
197.08453	0.7
200.03380	1.6
202.04997	2.3
204.06578	3.1
204.18289	0.9
209.08141	1.3
210.05005	0.6
210.09062	1.2
211.06322	1.2
220.07608	1.7
222.09204	0.8
223.06329	1.3
224.07060	0.8
225.07690	0.7
226.08588	2.6
232.06012	1.3
236.07062	1.7
237.07819	1.7
238.08527	2.4
239.08899	9.4
240.06781	1.3
240.09282	4.5
241.07298	1.3
248.07024	0.9
249.07761	1.1
250.08846	1.2
252.10336	1.4
254.08098	5.4
254.11877	1.1
255.08910	3.1
256.09711	1.2
264.06567	1.0
265.07254	4.3
265.09576	0.6
266.08044	4.1
267.08893	2.7
268.09592	1.8
269.06766	2.2
269.10416	0.6
280.09763	5.1
282.11221	9.4
284.09152	27.5
285.09421	1.0
289.05359	1.4
289.14130	3.4
290.08160	0.9
290.14514	3.0
293.06741	8.7
296.08984	1.9
298.05545	2.3
298.10736	20.2
308.09143	8.5
311.07788	1.4
324.08786	0.6
326.10211	34.7
327.10583	1.2
342.10049	0.7
344.11273	32.7
345.11670	1.6
366.30017	0.6
411.55621	0.7
421.21851	1.1
462.21677	2.2
463.22934	1.8
480.92044	0.7
489.21002	1.0
505.20261	0.8
506.14468	1.0
506.20361	8.3
507.21945	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.0
69.03417	1.2
69.76133	1.8
70.06580	1.0
81.03409	3.4
84.15672	0.6
85.02894	1.3
91.05478	5.3
97.02877	0.6
98.22784	0.7
105.62624	0.6
109.02873	1.4
117.03358	1.1
119.04079	0.9
119.04932	16.1
127.03908	0.6
132.00475	0.5
147.04398	100.0
148.04713	2.0
163.03944	3.8
165.05484	5.6
177.05415	1.1
202.49028	0.6
202.64795	0.5
221.15388	0.6
291.08551	4.0
309.09570	8.3
378.47382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20537	0.7
52.83419	0.8
57.03443	1.7
61.02916	6.6
65.03899	1.2
69.03417	4.1
69.26611	4.7
70.06591	1.0
73.02895	2.1
81.03405	3.2
85.02893	29.6
89.96748	0.8
91.03931	4.6
91.05487	5.0
97.02892	9.5
97.40929	0.8
97.75230	0.8
99.04444	1.8
102.67134	0.8
105.51782	0.9
109.02853	3.0
119.04926	16.0
127.03889	7.5
137.06006	0.8
145.04933	14.2
147.04387	100.0
148.04713	2.4
163.03891	3.4
163.06012	7.2
164.04146	1.1
165.05455	24.0
291.08447	2.7
309.09637	3.7
391.41342	0.9
441.24200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01855	3.6
55.05507	0.9
57.03432	10.3
61.02919	5.3
65.03923	2.7
67.05500	1.3
67.80247	0.8
68.99784	2.5
69.03065	1.3
69.03421	21.6
69.16230	1.7
69.16641	5.1
71.01355	1.4
71.04977	2.1
73.02911	13.4
79.89893	1.1
81.03405	13.5
83.01309	1.2
83.04978	3.4
85.02896	50.3
86.39323	0.9
87.00816	19.6
91.05472	100.0
92.05831	1.0
95.04968	1.8
97.02255	2.1
97.02884	34.0
99.04437	5.2
101.02356	1.1
103.03942	7.0
105.01861	28.0
105.07019	2.3
107.04947	1.2
108.04467	1.1
109.02178	1.4
109.02869	16.9
111.04440	4.4
115.03922	5.2
119.04892	1.0
123.04409	3.0
125.02338	5.3
125.03081	0.9
127.03903	40.0
129.01807	2.5
129.05461	1.9
129.06979	1.1
131.04915	1.1
132.06482	1.0
133.06453	1.8
135.04396	2.5
139.03882	2.5
143.03445	0.9
145.04950	10.7
145.06429	2.6
147.02855	2.8
147.04312	0.9
147.06487	1.1
150.07613	5.5
151.03877	4.1
153.05434	1.1
157.06474	1.2
159.02904	4.9
163.03850	3.2
169.04953	2.6
171.02858	2.0
171.06644	1.0
171.08057	1.3
175.03847	1.3
175.07530	1.7
177.05441	2.5
181.04933	3.6
187.06064	2.0
189.03938	12.0
189.13611	0.9
193.05022	1.8
195.06491	2.4
195.19006	0.8
199.05968	3.0
199.07591	2.5
205.04909	1.4
213.03946	5.5
217.06825	1.2
217.08653	2.8
223.06009	6.2
231.04976	10.8
233.06474	1.6
235.09651	1.4
241.06990	7.4
249.06030	3.8
273.05984	10.9
279.24823	0.9
282.09680	2.1
303.08350	1.1
309.06073	1.0
318.60468	0.9
321.09601	4.1
327.07104	3.0
337.97852	0.9
339.10510	1.4
345.08093	1.7
363.09027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.202
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41603	0.9
69.03428	1.2
69.07051	2.4
71.43729	1.1
79.05484	2.3
81.07051	3.2
85.02907	2.1
86.03282	1.1
86.09604	1.3
89.03917	10.0
91.05485	5.4
93.07038	1.9
95.04990	1.5
95.08585	2.1
97.02893	1.8
97.06562	1.5
107.04938	3.6
107.08562	1.9
109.10135	1.6
110.09676	2.9
117.03376	9.1
119.04935	8.5
119.08549	1.6
120.08073	2.4
121.10091	1.2
127.03923	1.3
131.04915	4.2
131.08606	1.3
133.10080	1.7
135.04399	21.1
136.04721	1.2
137.06023	1.5
138.09113	1.7
145.02809	15.2
146.03217	1.5
147.04393	42.6
148.04686	1.2
157.10078	1.9
161.05984	2.9
163.03891	100.0
163.07587	2.4
164.04224	7.5
165.05490	1.5
166.08612	5.0
173.05988	1.2
177.05421	1.9
185.05948	1.1
187.07521	1.7
203.10550	1.7
205.12115	1.6
213.09070	5.7
215.07033	3.5
215.10640	3.3
231.10085	2.7
233.11711	3.2
241.08580	2.6
252.10188	1.3
253.10887	4.3
254.11285	5.5
255.11584	5.3
261.11240	2.5
277.10678	3.9
279.12231	10.0
289.26105	1.4
341.11386	1.5
506.18265	1.2
513.75580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78078	14.7
79.05511	22.7
80.66624	13.3
81.07051	35.8
84.86932	14.0
91.05457	22.2
93.07039	69.9
95.08586	53.1
105.07016	64.6
107.08586	82.7
109.10126	37.3
113.24131	13.6
119.08564	52.2
121.10155	35.1
125.09617	56.7
131.08450	25.9
133.10133	68.6
135.11633	20.3
135.39987	12.6
137.09628	12.9
143.08553	14.1
145.10144	30.5
147.11691	28.0
157.10091	18.1
159.11687	43.9
161.13289	23.3
163.14723	15.6
173.13234	35.5
175.14778	32.9
177.16345	22.5
187.14822	55.0
189.16360	44.2
191.17958	18.5
199.14719	17.1
201.16409	100.0
203.17908	20.5
205.15724	15.9
213.16365	45.1
215.14400	12.3
215.17868	33.7
217.01082	12.8
219.17444	21.2
247.16919	17.9
251.44791	15.4
342.46680	13.0
345.39398	12.0
367.80438	12.5
389.31891	14.5
407.33054	89.6
418.99719	13.6
435.32495	27.5
453.33591	75.1
470.84036	13.9
533.41547	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	507.111
Annotation	Kunzeachromone E
Peak:m/z	Relative Intensity
62.50191	2.2
64.34546	2.4
65.84101	2.2
70.06593	3.1
70.33362	3.7
70.33698	4.3
73.08216	2.2
85.02922	2.6
119.04917	5.8
120.05264	2.5
124.32407	3.3
134.20026	2.5
147.04399	31.6
148.04715	15.1
163.03931	3.6
186.85289	2.4
228.29210	2.5
406.14264	2.7
410.37277	2.8
486.13821	3.2
507.11029	100.0
507.19775	10.1
508.11472	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	507.1133
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.03941	3.2
55.01855	0.8
57.03428	0.7
61.02920	0.8
65.02449	0.3
68.99786	0.5
69.01919	0.3
69.03067	0.5
69.03427	8.5
69.15726	1.8
71.04981	0.7
73.02902	1.0
81.03415	12.5
85.02899	5.5
95.04975	0.4
97.02886	4.3
98.22689	0.6
99.04443	2.1
103.03956	0.4
105.20627	0.3
109.02879	8.6
110.14420	0.3
111.00773	0.9
121.02875	0.7
121.64501	0.3
127.03915	7.0
127.52287	0.3
137.02325	3.1
137.06023	0.4
139.03876	0.4
145.04947	1.7
149.02364	0.3
153.01820	4.1
163.03897	0.6
163.52472	0.3
165.01839	2.1
173.05927	0.4
177.05560	0.3
183.02852	1.0
183.04352	0.4
187.06010	6.9
201.05397	2.1
228.04124	0.3
229.04982	3.9
243.12421	0.3
247.06027	0.9
257.04416	2.4
274.04639	0.5
281.06781	0.6
285.03857	1.6
303.04965	100.0
304.05301	3.0
309.06451	0.4
319.90866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17543	0.5
69.14639	1.9
69.15054	2.3
107.94271	0.6
108.56416	0.6
132.24402	0.6
147.67403	0.7
153.71902	0.7
265.06808	100.0
266.07007	1.2
507.19092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78006	0.7
70.92122	1.3
71.08837	0.7
72.69097	0.8
74.32780	0.8
75.04471	5.1
89.14110	0.7
151.03896	0.9
163.03912	1.1
190.02385	1.1
191.03139	100.0
192.03477	1.1
205.04710	71.4
206.05058	1.0
233.04198	4.0
265.06833	11.4
507.19232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64859	1.5
61.19159	1.4
70.79524	2.8
84.81771	1.5
93.59946	1.4
127.16434	1.6
147.04410	2.0
156.11247	1.4
163.03758	6.8
190.02255	1.6
205.04709	100.0
206.05064	2.7
222.65492	1.6
258.90829	1.8
265.06799	5.7
266.87027	1.5
404.26318	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66819	1.6
71.17213	2.6
81.07060	2.9
85.02894	1.6
91.05482	2.7
93.07038	2.3
95.04958	2.0
95.08605	1.8
95.66393	1.5
105.07047	2.4
116.01452	1.7
122.76006	1.7
133.10168	2.6
145.10143	2.2
163.03871	2.5
199.03703	17.0
259.16785	2.6
287.04025	1.8
289.05203	7.9
305.13687	5.6
347.12531	100.0
348.12924	3.4
415.82709	1.6
421.22021	2.6
463.23004	15.5
489.21027	6.1
507.21176	92.0
508.21036	4.1
533.53094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
57.29301	0.6
58.24665	0.5
58.99585	1.1
62.17380	0.5
63.71026	0.5
65.14007	0.6
67.05501	0.6
69.86607	1.6
70.02950	1.5
74.99211	0.5
76.03983	0.6
86.00658	2.4
86.99046	0.9
95.08607	1.1
98.44119	0.6
99.05542	0.7
109.10120	0.9
116.01691	4.3
119.72800	0.5
143.02750	4.1
144.01115	1.1
145.06161	0.6
162.02185	1.6
163.07579	1.2
171.08109	0.9
183.07954	0.6
184.07422	0.9
189.03273	4.5
195.08055	0.8
201.09212	1.0
213.09189	5.2
215.10786	0.7
216.10258	0.7
223.11256	1.1
227.10681	1.3
228.10194	4.3
231.10185	1.4
239.09422	1.3
240.10103	0.6
241.12311	1.2
245.06358	1.3
246.05765	1.4
246.11266	2.9
247.11897	1.3
253.10789	0.7
255.13831	0.7
257.06213	0.8
258.11230	0.7
260.07513	1.3
264.06778	0.9
267.10153	1.4
267.13696	0.7
268.13589	0.6
272.07446	1.1
278.08572	1.1
280.14337	0.7
281.15317	0.9
283.16891	3.9
284.07565	1.1
284.12958	0.7
285.11121	0.8
290.08557	1.9
293.15427	0.8
297.17499	0.9
298.18021	1.1
299.16531	1.4
300.16074	0.6
301.18036	1.1
304.10040	0.7
314.17728	0.8
315.18124	3.4
316.19028	1.5
322.17966	0.8
326.17838	0.7
327.18390	1.6
328.19080	0.8
331.13647	0.9
340.19110	1.2
342.15140	0.9
343.13303	0.6
346.19995	2.8
360.16330	3.3
378.17365	2.0
386.17807	2.0
404.19055	1.6
463.22919	0.7
471.19629	0.6
489.20703	4.5
507.21603	100.0
508.21631	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	507.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.1
58.99584	2.2
60.21567	1.3
65.57819	1.3
67.05517	1.9
69.07069	6.4
70.06598	5.3
79.05538	1.8
80.05013	1.8
81.07051	2.7
83.08612	2.1
85.04024	3.7
86.09708	4.0
91.05470	4.3
93.07049	3.1
95.08615	4.0
96.70603	1.4
99.05576	23.0
100.07619	4.1
100.11250	9.0
105.07067	2.5
109.10162	6.9
111.04445	4.6
112.07565	1.4
114.03762	2.2
116.01658	1.5
121.06501	1.8
121.10197	1.5
127.05045	4.5
128.07097	2.6
129.01213	2.6
133.10214	1.5
142.03241	6.3
145.06073	42.5
147.11601	2.2
163.03964	1.9
168.13838	15.9
170.02754	1.6
170.80458	1.4
175.01724	7.0
177.03389	2.6
182.15475	3.9
183.08110	1.6
192.09337	2.0
193.03224	18.4
195.04761	3.0
196.13290	11.2
199.07639	1.6
202.09824	1.7
203.05272	3.8
207.04677	3.0
210.14922	4.7
211.07552	5.9
213.09132	4.8
215.05219	2.5
217.03305	2.0
217.06657	1.6
219.04776	4.3
221.06322	4.6
223.04288	2.4
227.05316	4.6
229.06737	2.3
231.04796	4.5
233.06253	1.8
233.09676	1.6
235.07947	1.6
238.09879	1.5
239.10742	5.6
240.11414	2.3
243.04691	2.1
245.06316	9.7
247.07954	1.6
253.06908	3.2
257.06476	1.8
259.07849	1.7
261.09186	5.5
262.09930	2.2
263.07309	2.4
263.10568	2.3
267.13873	4.6
271.07947	3.5
281.15411	12.3
282.16110	5.9
283.16864	1.8
285.18484	3.5
287.03815	2.0
288.11594	2.1
289.05249	17.4
294.16083	2.1
295.07944	2.6
295.23621	2.6
297.13184	2.5
297.18619	2.0
300.17221	2.4
301.17862	1.8
312.26346	7.0
315.14209	3.3
315.19684	2.1
317.15634	3.9
321.09503	3.3
327.08990	1.4
327.13965	6.0
331.18988	2.5
332.19745	1.7
333.15106	3.6
345.15149	19.2
357.13586	1.6
363.16205	32.3
364.16867	1.6
395.01443	1.5
404.18826	2.0
421.22083	1.7
422.30414	4.5
463.23090	5.3
489.20764	7.9
489.37811	3.6
507.21753	100.0
507.38162	12.7
508.22375	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	507.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96612	0.4
51.49296	0.4
55.05505	1.7
57.07071	0.6
61.31656	0.5
61.90543	0.4
62.09655	0.5
65.43710	0.4
67.05498	4.6
69.03400	0.7
69.07066	5.7
77.19817	0.4
79.05494	4.1
81.03411	2.5
81.07048	12.9
83.05001	1.5
83.08611	1.1
85.06559	1.0
91.05461	4.1
93.07037	5.1
95.04963	4.0
95.08600	9.3
97.06488	0.6
97.10188	0.7
105.07028	9.1
107.08582	6.5
109.06510	6.3
109.10160	2.3
111.08051	0.6
114.09152	3.0
116.01653	1.0
117.07055	0.6
119.08562	7.8
121.10127	9.7
121.10965	0.6
123.08056	0.9
123.11698	0.7
133.06528	0.5
133.10002	0.5
135.11700	1.0
137.05946	0.6
137.13264	2.0
140.34641	0.5
145.10132	0.9
147.11691	8.5
148.34801	0.4
150.03656	0.4
163.06253	2.9
163.11105	0.7
165.12746	14.5
169.03186	0.5
176.05417	0.7
176.07057	1.2
177.03275	0.5
178.03220	1.1
179.07048	1.4
181.07327	0.5
182.02707	2.7
182.15419	2.3
188.07143	0.6
189.07828	3.2
192.04817	1.9
196.04237	6.0
197.02687	3.3
204.04755	2.3
206.06358	0.6
214.05298	1.8
222.05812	20.3
223.06175	0.6
240.06845	7.3
245.06264	1.3
250.05591	0.5
258.52899	0.5
283.17038	0.6
289.05237	6.3
295.07489	1.1
309.21979	0.6
312.17734	0.6
323.07022	0.7
325.08603	1.1
343.09543	3.5
358.18237	1.1
378.17148	0.7
386.17633	2.3
404.19012	1.3
443.19870	0.8
445.22388	0.9
461.21030	3.7
463.23343	1.3
475.01273	0.5
479.22034	7.2
489.20529	5.4
507.21625	100.0
508.21939	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	507.2204
Annotation	Repandin D
Peak:m/z	Relative Intensity
55.05516	0.7
64.28108	0.5
67.05499	1.5
69.03431	1.4
69.07076	0.8
70.04758	1.3
70.05061	0.6
77.78484	0.5
79.05489	1.6
81.03413	1.3
81.07053	2.8
85.02924	2.2
86.71920	0.5
87.00806	0.6
91.05468	2.9
93.07066	2.7
95.04970	0.8
95.08629	1.8
98.23357	0.6
99.04472	0.7
105.07012	3.5
107.08605	2.0
109.02898	1.2
109.10176	1.2
110.56016	0.6
117.07026	1.0
119.08625	1.3
121.10099	0.8
123.04370	0.6
127.03149	0.5
127.03949	2.5
131.08597	2.6
133.10143	1.1
143.08614	0.7
145.02907	0.9
145.04994	0.8
145.06313	0.5
145.10147	2.2
153.72356	0.7
159.11736	0.8
163.03946	1.1
177.05553	1.4
220.11340	0.7
227.05232	1.3
245.06364	2.9
269.73666	0.6
271.04477	1.7
287.03864	1.1
289.02338	0.8
289.05270	20.2
289.08356	1.2
290.05783	0.7
365.76932	0.6
379.10226	1.0
403.21216	1.0
421.22037	5.1
445.21863	1.1
463.23062	21.1
464.23724	0.9
489.20938	3.6
507.22104	100.0
508.22522	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	507.2199
Annotation	Repandin D
Peak:m/z	Relative Intensity
66.40693	0.3
69.21574	1.8
69.78409	0.4
79.05501	0.6
81.07043	0.6
85.06586	0.5
91.05458	0.6
93.07037	0.6
95.08582	0.6
105.07022	1.8
107.08582	1.0
109.10181	0.4
117.07019	0.4
119.08573	1.2
119.60547	0.4
131.08649	0.5
133.10155	0.7
137.76198	0.4
145.10123	0.8
156.09250	0.3
159.11661	1.1
161.13261	1.0
163.03893	0.5
168.13876	0.4
174.42329	0.4
178.90932	0.5
185.04263	0.7
203.05264	0.8
241.15770	0.6
245.06273	3.2
259.16708	3.9
271.04160	0.8
287.03833	0.7
287.15961	0.5
289.05267	18.3
338.13217	0.4
403.20831	1.0
421.21930	8.8
445.22025	1.1
463.22983	30.6
464.23328	1.1
489.20990	4.4
507.21973	100.0
508.22311	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	507.2202
Annotation	Repandin D
Peak:m/z	Relative Intensity
55.05496	1.2
67.05524	0.5
74.16483	0.5
81.07030	0.7
83.08598	0.8
85.02915	0.6
91.05495	0.9
100.11267	2.1
105.07018	0.6
127.03969	0.5
163.03937	0.6
182.15376	3.1
227.05252	1.1
243.04855	1.0
249.95444	0.6
259.16748	1.2
264.11499	0.7
271.04181	2.9
276.42548	0.5
287.03751	2.5
289.05212	3.6
309.21820	1.3
386.40988	0.5
403.20874	1.3
421.14743	3.7
421.21725	3.9
445.21875	6.5
463.23007	17.2
464.23224	1.0
489.20917	49.4
490.21362	2.1
507.21997	100.0
507.38550	1.9
508.22354	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	507.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12475	1.3
53.03941	2.1
69.10211	3.6
69.10612	6.1
81.03409	3.7
81.07054	2.0
85.02898	23.9
91.05473	2.4
94.04182	2.4
99.04452	15.8
99.26956	1.8
102.31630	1.3
103.03927	44.4
103.05460	6.0
105.07031	5.8
109.02858	2.9
118.44034	1.4
119.04978	1.6
121.06518	2.3
122.03665	7.5
127.03909	28.6
129.86378	1.4
131.04910	7.9
133.05525	2.6
133.06470	18.5
135.08035	8.1
137.05962	100.0
145.04970	15.9
145.06413	2.4
151.07523	7.1
153.12852	1.4
163.03839	2.2
163.06046	8.9
163.07553	33.6
167.43613	1.4
177.05592	1.8
183.51540	1.4
187.07541	2.4
189.09137	1.5
203.10616	2.4
263.10602	2.2
266.64154	1.8
289.05066	1.9
295.13153	7.9
327.15927	6.1
445.05774	1.5
507.21973	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	507.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.0
57.03398	0.5
57.97654	0.3
65.03912	0.6
67.05504	4.9
69.03387	0.5
69.07028	1.3
69.26106	0.3
70.46944	0.8
78.89276	0.4
79.05489	3.6
81.03414	0.7
81.07057	6.8
83.04923	0.4
84.84843	0.3
85.02887	2.0
87.00784	0.6
91.04960	0.5
91.05466	6.7
93.07041	5.2
95.04909	1.2
95.08604	4.2
97.02855	0.7
101.76910	0.4
104.26217	0.4
105.01833	0.5
105.04453	0.5
105.07027	11.5
107.04860	0.4
107.08583	4.2
109.02869	0.5
109.06483	0.4
109.10149	0.7
111.04378	0.5
115.05394	0.4
116.06156	0.5
117.07007	3.1
119.08568	6.0
121.10139	1.7
123.11741	0.4
127.03843	1.4
127.10200	0.3
129.06963	0.8
130.07764	0.7
131.08553	3.7
133.06334	0.4
133.10133	3.2
135.04314	0.5
135.11745	0.3
137.05934	0.4
143.08543	0.9
144.09279	0.7
145.08992	0.4
145.10112	6.4
147.11618	1.3
149.13219	0.4
157.10107	0.4
159.11685	4.6
161.13225	2.9
163.03848	1.0
163.11150	0.4
167.03053	0.5
173.13191	1.4
179.52155	0.4
181.04855	0.6
185.04190	0.6
201.16351	1.2
203.05251	2.0
213.09219	0.4
218.71356	0.3
227.05272	1.1
229.03117	0.5
245.06291	5.0
259.16760	0.8
269.04321	0.6
271.04227	0.8
274.30646	0.4
287.03735	1.5
289.05267	58.8
290.05615	1.4
304.91589	0.3
312.06171	0.5
329.06516	0.7
345.09631	4.6
409.61194	0.4
421.21869	1.1
445.21802	0.8
463.22983	12.5
464.22983	0.4
489.21118	1.6
507.21997	100.0
508.22256	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	507.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10722	3.5
69.11133	9.4
80.54538	1.9
81.03424	6.9
81.07058	2.5
85.02898	25.3
88.57490	1.8
91.05476	6.0
94.04212	3.5
97.02975	2.4
98.23447	4.4
99.04443	15.6
103.03941	44.2
103.05444	13.8
105.07037	5.6
114.63889	2.1
119.04929	3.6
121.06532	2.6
122.03636	8.7
127.03912	29.5
131.04912	12.3
133.06476	18.3
135.08034	7.5
137.05962	100.0
145.02826	3.2
145.04929	16.1
147.04410	10.0
149.06009	3.0
151.07536	4.1
163.03896	5.4
163.06047	6.2
163.07553	29.9
171.08052	3.1
181.04979	9.0
189.09100	2.4
220.24867	1.9
295.13342	8.3
322.52731	2.3
327.15945	7.8
507.21942	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2352
Annotation	Naamidine H
Peak:m/z	Relative Intensity
54.06727	1.7
56.85602	1.8
69.25800	3.8
69.26215	7.5
73.76163	1.6
75.11336	1.8
93.06969	2.5
95.04947	2.0
96.84029	1.9
105.07027	1.8
109.79877	1.8
124.31291	1.9
140.89616	2.0
241.08328	21.2
242.08569	1.9
247.50293	1.8
305.11475	100.0
306.11850	4.1
441.71152	1.9
507.23438	83.4
508.23700	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	507.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93645	0.7
59.25562	0.6
64.61949	0.6
67.05403	1.3
69.03338	1.4
79.05402	1.3
81.03312	1.1
81.06982	1.1
85.02792	2.3
90.49020	0.7
91.05353	2.9
92.67398	0.7
93.06973	0.9
95.04865	1.0
95.08526	1.3
97.02792	0.9
98.22594	1.2
105.01772	1.0
105.06905	3.0
107.08505	1.2
109.02766	1.1
117.06931	1.2
119.08492	1.4
121.09989	1.0
123.04250	0.9
127.03867	1.4
129.06902	1.6
131.08472	1.7
133.09999	1.4
137.05916	0.8
141.05205	7.0
143.08496	1.2
145.04874	0.9
145.10072	1.5
147.04308	1.0
155.08502	0.8
163.03806	2.1
177.05385	0.9
188.95656	0.7
231.05080	0.7
241.10449	100.0
242.10744	1.9
289.05359	2.2
289.14066	34.4
290.14532	1.5
298.10638	1.0
299.11221	2.2
318.09161	0.7
333.11432	0.9
339.12415	1.0
365.14108	1.2
383.15161	2.7
401.32080	0.8
507.26163	30.6
508.26743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.9
57.03424	8.0
57.07063	6.5
67.05489	53.6
69.07062	17.2
78.63094	4.1
79.05483	38.7
81.07050	50.3
83.08617	7.6
91.05459	22.9
93.07037	38.6
95.04959	8.5
95.08585	36.7
98.98465	58.4
105.07007	17.8
107.08536	23.7
109.10148	15.7
119.08570	12.5
121.10146	20.4
122.01637	4.1
123.11703	8.8
131.08551	9.6
133.10103	8.4
135.11664	11.8
145.10089	8.0
147.11658	10.3
149.13286	10.9
155.01031	17.7
161.13240	7.3
173.02124	10.7
177.42360	4.3
184.07397	5.5
187.14720	4.3
219.17499	9.2
221.15355	11.2
228.23201	10.0
229.04640	4.1
243.21225	8.9
261.22113	14.8
317.24689	12.4
335.25751	100.0
336.25909	4.1
507.29126	64.4
507.40945	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	507.2721
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.05511	10.3
57.03405	6.0
60.08179	5.8
67.05498	54.4
69.07058	8.5
69.13902	17.3
69.14307	23.2
73.85249	5.3
75.51029	5.6
79.05470	29.7
81.07047	60.4
83.08633	6.9
86.09700	29.0
90.78538	6.0
91.05487	19.3
93.07021	38.5
95.04932	8.5
95.08613	32.8
97.06500	6.0
98.23530	10.4
98.98451	88.4
105.07021	19.5
107.08583	24.3
109.10172	15.3
119.08576	17.5
121.10137	14.1
123.08018	5.8
125.00026	17.1
133.10054	10.0
134.99873	6.0
137.09578	12.6
145.10066	6.7
145.42760	6.0
147.08069	13.9
149.13332	8.8
157.10193	11.2
165.09109	30.9
173.02104	7.4
184.07303	74.1
192.84319	6.8
221.15337	45.7
261.22195	8.9
305.57178	6.0
317.24829	6.1
335.25772	100.0
427.28146	8.4
507.34833	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	508.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.05495	0.9
60.03786	0.5
65.03937	3.5
67.05469	1.0
69.03407	1.5
69.48856	0.5
69.49169	2.0
72.99984	0.5
73.02882	0.5
77.03893	0.5
79.05486	7.6
80.05007	1.3
81.03411	4.2
81.05775	1.9
81.07031	0.7
82.06548	0.9
83.04963	1.2
84.37184	0.6
85.02882	1.4
89.03907	6.0
92.04990	6.0
93.07073	0.7
94.06554	0.7
94.30791	0.5
95.04967	3.1
96.08130	6.3
97.19219	0.5
99.04420	0.9
103.05449	0.8
106.06544	46.7
107.04906	0.6
108.08110	11.1
109.02891	1.7
109.05225	1.3
117.03368	20.7
119.75538	0.5
122.05999	1.1
123.06799	6.1
124.07578	29.3
134.03616	1.5
134.06003	26.3
135.04390	1.2
136.07558	2.1
137.05956	1.4
145.02829	52.8
146.03102	1.1
148.07550	0.7
149.05965	5.4
151.03882	1.3
152.07050	72.3
153.07457	1.1
163.03828	1.0
170.08105	50.9
171.08446	0.7
172.58806	0.6
177.05446	100.0
178.05721	1.2
186.05487	1.0
204.06590	0.7
206.56421	0.5
240.81882	0.5
250.08641	1.2
267.08875	1.1
282.11295	2.7
284.12390	0.6
295.08368	0.6
310.10687	2.8
314.12268	1.7
321.09607	4.6
328.11673	1.5
332.13354	10.1
332.17249	0.7
339.10880	3.1
346.12930	0.7
472.16055	0.8
490.17010	21.2
491.17496	1.2
508.18057	39.4
509.18207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62621	0.2
53.03931	1.0
55.01848	0.3
57.03412	0.5
59.54954	0.2
65.03929	2.2
69.03072	0.3
69.03426	4.2
70.55144	0.5
70.55499	0.6
71.04986	0.4
75.02342	0.5
77.03888	0.4
79.05479	2.9
81.03410	5.8
85.02396	0.4
85.02895	5.3
89.03922	1.3
91.05473	4.1
93.03392	2.3
93.07039	0.4
95.04938	0.9
97.02877	7.5
99.04460	1.2
103.03926	0.7
103.05415	0.4
104.02633	0.3
105.04510	0.4
107.01287	0.8
107.04940	2.7
109.02867	3.1
111.04424	2.5
117.03379	2.6
121.02830	0.9
121.03919	0.3
121.06480	3.2
127.03900	5.6
128.04337	0.3
135.04399	3.2
139.03859	2.0
140.04196	0.4
145.02826	1.4
145.04912	2.2
163.03889	8.3
173.03441	1.1
178.02600	1.7
181.04912	1.1
182.05289	0.4
187.04004	0.4
187.07466	0.3
191.03354	100.0
192.03726	2.2
205.63721	0.2
209.04451	2.3
221.05978	1.0
222.06297	1.2
227.05467	0.8
229.08603	0.4
237.09267	0.4
240.04045	0.3
249.05400	0.7
250.05818	1.4
255.06476	0.4
257.04422	0.7
259.09512	0.4
265.08493	0.8
268.03644	2.1
272.06720	0.8
273.07291	0.4
281.07974	0.6
282.08362	1.1
283.05923	2.2
283.09412	0.7
286.04626	0.6
293.06360	0.3
296.03140	0.5
301.07086	3.9
309.07581	0.6
310.07938	1.3
311.05417	0.9
317.06372	0.8
327.08423	0.4
328.08798	0.4
329.06543	2.2
335.07550	8.7
336.07797	0.3
347.07574	2.5
353.08643	13.9
354.09146	0.4
461.73547	0.2
469.37463	0.3
508.13995	0.3
509.10782	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	508.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.9
55.01872	12.8
55.05508	15.5
57.03442	10.1
57.07071	6.8
61.02924	8.3
63.26496	3.6
64.24942	3.9
65.03918	6.4
67.05511	18.2
67.27955	3.3
68.31979	3.4
69.03424	39.7
69.07056	7.0
69.18941	12.6
69.19347	7.1
71.04990	10.9
73.02914	8.9
79.05491	11.1
81.03407	87.5
81.07053	28.4
83.04987	11.0
83.08614	5.1
85.02898	90.0
85.06507	5.4
87.00815	35.5
91.05484	18.9
93.07063	12.7
95.04964	12.2
95.08590	32.1
97.02879	40.1
97.06525	7.9
97.10155	5.0
98.22713	9.3
98.31807	4.1
99.04452	21.3
103.03918	3.3
105.01853	29.3
105.07026	18.2
107.08580	22.2
108.02062	5.4
109.02877	40.1
109.06505	19.7
109.10148	43.4
111.04401	6.9
111.08098	10.0
113.05987	7.4
117.01852	5.6
117.03376	3.4
119.08545	27.1
120.08179	3.7
121.06482	8.9
121.10132	48.1
122.07175	8.0
123.08076	22.7
123.11703	11.8
125.05990	10.0
125.09606	7.6
127.03896	67.0
129.01796	4.0
131.08549	7.9
133.10139	7.5
134.06009	13.3
135.08055	7.6
135.11719	11.3
136.07526	3.8
137.05960	29.3
137.09572	28.7
138.05536	4.2
139.07561	4.9
143.10674	12.8
143.32864	3.7
145.02774	4.5
145.04955	15.9
145.10150	4.7
147.04393	7.0
147.11668	37.1
148.07596	3.7
149.09596	37.0
150.09102	5.1
151.03897	100.0
151.05003	10.1
151.07510	5.8
151.11169	15.5
152.07022	25.5
159.02881	14.3
161.13252	22.8
163.03891	7.7
163.11180	11.4
165.12755	20.1
169.04974	9.5
169.12209	5.1
170.08109	14.3
171.11694	8.4
177.05472	13.9
179.14267	22.3
189.12724	38.0
192.10233	6.2
207.13763	96.1
213.03859	5.6
225.14825	57.7
231.05002	11.2
243.16191	5.6
295.08160	9.1
303.61356	3.7
313.09427	4.9
346.16730	7.0
508.21588	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90707	4.5
53.03947	9.1
55.01862	7.8
55.05512	22.2
56.01300	5.0
57.07075	6.3
59.05030	4.9
64.73857	5.8
66.78475	5.2
67.05505	33.0
69.03422	17.6
69.07065	7.5
70.59025	11.3
70.62169	4.9
71.05000	11.0
79.05486	13.3
81.03421	9.4
81.07053	32.9
83.04976	16.0
85.02893	36.2
87.00822	14.2
91.05460	13.0
93.07019	17.8
95.04977	11.7
95.08614	48.0
97.02917	11.8
97.06526	15.1
97.10174	8.3
99.04448	54.2
105.01844	16.7
105.07024	29.5
107.08576	36.0
109.02895	10.7
109.06509	21.5
109.10155	87.4
111.08069	12.1
115.07562	5.6
117.00252	5.5
119.08578	29.0
121.10121	68.7
123.08047	48.2
123.11713	17.0
125.09602	11.1
127.03926	23.3
127.07534	5.9
133.10121	10.0
135.08022	6.2
135.11655	9.4
137.09624	84.2
137.13261	9.6
139.07552	6.6
141.09062	9.7
143.10698	10.0
145.04932	11.1
147.11674	50.1
149.09615	37.9
151.07516	7.8
151.11163	36.0
161.13203	35.7
163.11220	21.2
165.12697	26.0
171.11641	12.4
179.14323	25.6
189.12692	38.6
196.14374	5.9
207.13799	100.0
225.14838	89.6
243.15701	6.2
352.31198	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	508.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94510	2.4
69.70098	7.4
76.19054	2.0
79.05458	2.9
81.07035	3.6
91.05461	4.3
95.28527	2.3
96.82684	2.2
98.23426	2.2
103.05473	4.4
104.66688	2.8
105.07005	3.8
107.04943	11.9
115.05434	2.4
123.04436	4.4
130.14778	2.0
131.04915	7.8
136.05209	4.5
137.05930	7.3
138.14146	2.6
145.06441	3.2
146.07260	3.3
150.06787	5.2
151.07527	100.0
158.07278	3.0
163.07520	23.2
165.09076	18.1
167.07030	61.5
173.09700	2.7
177.09070	29.6
187.07559	2.8
188.08290	4.1
189.09085	10.6
201.09016	11.5
202.09795	3.1
203.10686	4.3
217.12218	8.7
225.21959	2.4
233.11678	9.8
243.10202	3.0
307.13333	5.6
339.15854	24.6
371.18509	21.3
389.19400	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	508.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.1
56.05025	1.9
57.03422	0.9
57.07072	1.2
58.06580	0.9
60.07867	1.4
60.08159	15.7
67.05498	1.9
69.07052	2.8
71.07371	7.5
71.08591	0.8
75.90765	0.9
81.07060	1.3
81.43018	0.7
83.08575	1.2
86.09698	50.6
93.07031	1.0
95.08613	2.2
97.10220	1.0
98.98452	3.6
104.10734	93.3
121.10095	0.9
124.99990	28.6
133.97070	0.8
139.51927	0.8
184.07326	100.0
221.15450	1.4
258.10928	0.9
325.27344	1.4
407.42526	0.8
428.21738	0.9
490.32965	7.1
508.26898	1.6
508.33969	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.05023	0.6
57.07079	0.3
57.99211	0.2
58.06603	0.5
60.08155	6.0
67.05488	0.3
69.07056	0.6
71.07355	3.3
73.57228	0.2
77.26585	0.2
79.05468	0.4
79.37778	0.2
81.07034	0.5
86.09695	30.9
87.10064	0.3
93.07008	0.2
95.08552	0.2
97.10149	0.2
97.14845	0.2
98.98450	3.6
104.10727	2.8
124.99989	20.8
126.00272	0.2
143.01007	0.2
157.10013	0.2
184.07317	100.0
185.07678	1.1
213.12703	0.3
221.15404	0.3
228.98987	0.2
490.32993	1.0
508.33853	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	6.6
69.07065	5.6
69.45931	5.8
69.46322	8.8
71.59007	3.4
79.05469	7.4
81.03401	6.7
81.07056	10.0
85.02885	7.9
91.05432	4.8
93.07027	9.2
95.08595	9.3
97.02924	5.9
100.11201	3.4
100.51965	3.1
105.07032	8.6
107.08590	5.4
109.10136	5.7
114.08438	3.5
119.08549	6.8
123.04403	8.2
123.11711	4.6
127.03934	10.9
143.08463	5.7
159.02867	4.0
163.03949	8.1
171.06516	5.4
177.05580	5.4
193.12192	3.8
208.77419	3.9
226.13103	5.9
261.05246	66.7
261.14737	5.9
287.01630	13.3
289.05273	15.9
329.06503	5.1
344.91766	4.1
389.08746	5.4
433.17166	4.2
447.22928	3.9
465.11414	13.7
465.24475	15.0
491.22318	16.8
508.22293	4.7
509.10910	75.4
509.23697	100.0
510.23929	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	509.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14957	1.2
57.82123	1.3
67.05514	2.4
69.03459	1.5
79.05424	1.5
80.35365	1.3
81.07056	4.1
83.05001	1.7
85.02922	3.0
91.05514	1.4
93.07040	1.9
95.08607	4.1
98.23486	4.9
105.07040	3.6
107.08553	1.8
109.02892	2.1
109.10196	2.9
123.04374	1.7
127.03947	2.2
129.79349	1.2
147.11684	1.6
163.03976	2.9
171.06480	1.4
227.05428	1.5
243.04893	1.7
245.06268	2.7
261.05222	33.4
261.07755	2.1
261.14688	3.9
261.18161	1.3
262.41910	1.4
287.01675	4.5
289.05231	12.4
329.06622	3.8
334.81351	1.6
389.08191	1.6
405.00552	1.4
405.22003	1.3
423.23758	3.3
447.23505	1.8
465.11469	10.0
465.24756	16.5
491.23062	17.4
508.22501	3.4
509.11047	34.0
509.23602	100.0
510.23776	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	509.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86462	1.0
62.75603	0.9
65.03938	2.8
66.39215	1.0
69.03418	1.4
70.93039	1.2
79.05489	3.6
81.03426	2.2
85.02884	1.8
89.03911	11.8
91.05473	3.3
93.03398	3.2
97.02876	2.7
107.04956	5.5
111.03793	1.1
111.04428	7.4
117.03377	11.1
124.35383	1.0
127.03911	1.3
131.04915	3.5
135.04405	22.6
139.03877	9.5
145.02838	12.5
153.05487	1.5
163.03883	64.4
181.04947	6.3
184.05200	2.6
187.03899	16.6
191.03346	25.2
191.04898	1.5
192.03674	15.0
192.05219	1.2
194.07204	2.9
198.07060	1.1
199.07513	1.5
205.06490	8.3
212.04703	4.3
215.03482	2.1
221.05988	1.6
222.06747	7.6
223.07602	1.7
225.05449	2.2
226.02612	1.4
227.03378	1.4
227.07063	1.9
229.04982	4.4
233.05952	7.6
234.06682	1.0
237.09081	21.2
240.04187	5.9
243.02824	2.2
244.03688	3.2
245.04425	1.8
250.06114	3.6
251.06851	1.8
252.04175	1.5
255.02873	5.4
255.06506	6.7
257.04425	16.2
257.06873	1.5
258.05185	5.7
259.05975	1.8
265.08575	25.1
265.11224	1.7
268.03635	42.1
269.04251	2.9
270.05252	4.6
272.06796	14.5
273.07516	7.9
282.05273	1.6
283.03223	0.9
283.06039	44.4
283.09601	18.4
284.06357	2.9
285.07556	4.4
286.04691	14.2
287.05493	3.7
296.03101	8.3
301.07034	100.0
302.07388	5.1
311.05414	15.5
311.08591	1.5
313.03174	1.2
314.04095	2.8
329.06485	58.8
330.06931	2.4
335.07755	1.6
336.07800	2.0
347.07571	55.2
348.07855	2.2
353.08759	2.3
354.09061	2.7
492.45154	1.3
509.10754	90.7
510.10629	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	509.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
67.05497	1.8
69.03422	1.4
69.07052	1.3
79.05485	1.9
81.03393	1.3
81.07042	4.1
85.02917	1.7
91.05479	8.6
93.07043	3.4
95.08599	3.5
97.02850	0.9
105.07031	4.3
107.08579	2.8
109.10163	1.4
115.70267	0.9
119.08597	2.9
121.10154	2.1
127.03912	1.2
133.10124	1.4
134.59012	0.8
137.05917	1.8
145.10095	1.0
147.11676	1.3
163.03893	1.3
163.14804	1.9
203.05400	1.0
245.06352	3.1
271.04205	1.9
283.06213	1.0
287.03757	1.9
289.05249	25.7
290.05536	2.4
291.05798	2.6
351.21631	1.4
423.13168	1.8
423.23361	1.1
447.23007	1.0
465.15222	7.3
465.24570	8.5
490.21213	1.2
491.21854	6.4
508.22269	6.1
509.14108	53.2
509.23215	100.0
510.14285	3.2
510.23438	3.4
531.43787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.163
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45921	1.1
67.05484	1.1
70.12700	1.0
70.35094	2.8
72.88596	1.0
78.39465	0.9
83.05000	1.3
89.03894	1.5
93.06996	1.0
97.03766	0.9
99.04474	1.7
111.04426	1.0
111.06985	0.9
113.06771	1.1
117.03399	1.8
121.06502	1.9
123.08064	1.8
135.04402	2.0
137.05974	1.3
143.20938	1.1
145.02820	2.3
163.03937	7.8
185.04271	0.9
192.33060	0.9
212.04836	1.5
225.14923	1.2
240.04214	1.9
245.06303	1.0
248.76361	1.0
255.06546	2.6
261.10977	5.4
268.03662	8.0
283.05933	5.0
286.04709	1.1
289.10715	1.9
296.03281	2.4
301.07047	8.4
303.10513	1.2
311.05609	3.7
325.00177	1.0
329.06534	23.3
330.06879	1.4
345.11627	2.2
347.07611	3.8
423.16284	9.8
465.17291	44.9
466.17737	1.8
509.10971	7.1
509.16476	100.0
510.16821	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	509.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11852	5.2
81.03421	1.2
83.05002	0.9
85.02896	1.6
85.06514	1.4
91.21414	0.9
95.04952	1.3
98.23502	1.3
115.98686	0.9
121.02863	15.1
121.03844	1.0
121.04028	0.8
127.24200	0.8
135.04402	1.1
137.05939	0.8
139.03912	2.8
141.05261	1.4
145.02901	0.9
147.04390	4.0
163.03918	3.2
177.05545	1.2
185.04247	1.2
240.04172	1.3
245.06313	1.6
255.06584	1.0
261.10965	4.4
268.03766	3.5
283.05725	0.9
289.10556	1.5
296.03137	1.8
303.10562	1.1
311.05466	1.8
329.06534	13.7
345.11722	2.1
389.10550	3.2
423.16245	10.1
465.17288	43.9
466.17719	1.2
509.16364	100.0
510.16690	4.1
529.80090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
65.03934	2.6
67.05498	2.2
69.03426	1.9
71.42943	1.1
72.65957	0.9
80.78538	0.7
81.03413	1.8
82.04192	1.3
85.02902	3.7
87.73285	0.7
88.55055	0.7
90.43491	0.8
93.03381	1.0
93.31235	0.7
95.04937	1.9
108.02126	0.9
110.03658	1.4
111.04407	1.0
123.04395	1.6
125.05969	1.2
131.07077	1.0
137.02287	1.2
138.03133	1.0
140.04694	6.7
142.02681	0.8
153.05452	2.9
155.07042	1.9
166.81543	0.8
171.06473	4.1
178.78020	0.8
181.04947	100.0
182.05318	1.6
199.05980	4.6
249.12840	0.8
280.65689	0.9
325.09158	3.5
332.52121	0.7
343.10107	4.3
509.14041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81135	0.9
66.76615	0.8
67.04424	0.8
67.05506	1.0
71.04968	0.8
79.05481	0.9
81.07058	1.2
92.93726	1.0
93.07062	1.2
95.08624	1.5
98.23530	1.8
105.07053	1.1
107.08625	1.3
109.10144	1.4
119.08617	1.1
135.04475	1.0
135.11731	0.9
163.03929	2.8
175.25171	0.8
185.04230	0.8
201.03725	1.5
203.05376	2.6
227.05295	1.4
243.04747	8.5
243.17398	0.9
245.06317	6.7
261.18369	3.7
271.04306	3.3
287.03720	56.6
288.04163	1.2
289.05270	84.0
290.05670	1.9
301.11908	1.7
314.04364	0.9
329.06482	2.5
347.12894	1.0
447.23544	4.8
465.24854	6.5
491.22491	100.0
492.22733	5.3
509.23660	53.5
510.23996	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55831	0.5
54.65957	0.5
55.05510	0.5
67.05495	1.3
69.07067	0.5
69.81544	0.4
72.12488	0.4
73.80434	0.4
79.05488	1.4
81.07052	2.2
83.08587	0.6
91.05479	0.8
93.07043	1.3
95.08607	1.5
104.07275	0.4
105.07016	2.9
107.08596	2.8
109.10144	1.1
119.08591	1.4
121.10124	0.9
123.11669	0.5
133.10110	0.6
145.86844	0.4
147.11690	1.4
163.14905	0.9
184.16901	0.5
185.04230	1.1
203.05296	0.8
227.05315	1.5
245.06241	2.4
261.18283	0.8
289.05267	23.1
290.05701	0.4
301.10330	0.6
303.19208	0.6
309.80460	0.4
330.07196	0.9
354.19131	0.4
423.23477	12.0
424.24063	0.8
447.23557	1.5
465.24606	30.1
466.25171	2.1
491.22543	1.0
509.23560	100.0
510.24014	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	509.236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53155	0.7
67.05495	1.0
69.91386	1.4
69.91754	1.3
81.07010	1.0
91.05461	0.9
93.07005	1.6
95.08617	0.8
98.22743	1.0
107.08542	1.2
112.88313	0.6
114.57629	0.7
158.57381	0.8
181.97144	0.7
203.05231	2.3
227.05295	1.7
241.02129	0.8
243.04756	1.6
245.06294	7.4
287.03714	17.0
289.05283	100.0
290.05627	3.0
291.65125	0.8
331.40866	0.8
423.23523	1.5
465.24628	10.1
491.22580	6.0
509.23575	61.5
510.24057	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	509.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50781	1.4
65.71762	1.3
67.35165	1.7
69.07068	1.3
70.49889	2.3
91.05427	1.2
91.72317	1.3
102.04216	1.4
114.09189	2.3
118.41938	1.4
135.04317	1.3
193.37657	1.3
203.05209	2.5
219.43884	1.4
227.05212	2.2
243.04701	9.7
243.17166	1.9
245.06406	7.1
261.18292	9.0
271.04153	2.5
287.03714	70.2
289.05283	75.1
290.05450	1.7
423.23328	1.6
447.23392	4.1
465.24655	19.0
491.22495	36.9
492.22656	1.4
509.23569	100.0
510.23697	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02284	1.3
55.05500	2.0
56.96537	1.7
59.77325	1.3
62.76591	1.3
63.72564	1.3
79.39883	1.3
81.07064	2.4
82.21748	1.4
85.21152	1.3
89.03928	2.1
117.03397	1.7
119.08585	1.7
119.54308	1.5
135.04410	3.5
141.18439	1.6
163.03909	5.5
218.76564	1.4
218.99612	2.7
237.00685	17.7
245.06329	1.6
255.01793	4.3
256.54980	1.5
271.04068	2.2
289.05283	4.2
292.91266	1.5
302.32932	1.5
305.07007	3.3
313.62173	1.6
347.10846	2.3
376.80356	1.6
423.23557	5.5
449.87930	1.8
465.24524	20.9
491.22379	1.6
509.23520	100.0
510.24039	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	509.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93980	0.5
61.41826	0.5
64.39024	0.6
65.03927	0.6
69.44865	0.6
69.94057	1.8
79.05486	14.0
84.08122	0.6
91.05484	2.2
93.06993	0.5
94.04198	0.6
95.04943	3.2
97.13448	0.6
98.22742	0.7
99.08092	4.3
103.05463	1.5
105.04527	1.2
107.04945	25.3
107.05678	1.3
117.58448	0.5
119.04914	1.1
121.06496	5.2
122.03661	0.7
124.05176	1.2
125.05991	2.2
131.04915	4.5
133.02829	1.5
135.04404	18.6
137.05962	15.1
139.24490	0.5
147.04408	1.1
149.05946	8.7
151.07503	0.8
152.08195	0.6
153.05495	0.6
162.06686	0.7
163.07498	3.0
167.07024	16.2
169.10065	0.6
172.08824	1.9
172.21794	0.6
181.06535	0.8
185.05927	0.9
187.07582	1.8
187.11172	1.4
192.93646	0.6
199.07492	3.0
200.08284	4.8
201.05409	0.6
202.56874	0.6
203.07034	1.3
209.09589	0.6
213.05528	0.8
213.09044	0.8
214.06276	1.3
215.07196	2.9
215.10634	13.5
225.09079	0.6
227.06987	4.5
227.10634	0.7
228.07867	3.6
229.12239	2.0
241.08528	2.1
241.12213	1.2
243.10138	29.0
244.10625	1.1
245.11665	3.1
252.11252	0.6
253.12282	0.8
255.10129	0.7
256.10941	9.9
257.11694	1.4
269.11722	1.7
281.11646	0.8
285.09244	0.8
286.11935	1.1
291.27286	0.6
301.08371	0.8
313.08621	0.9
327.14075	0.9
329.17429	1.9
330.08920	1.6
344.10641	0.6
345.11240	2.3
355.13239	0.7
357.11456	0.5
362.11295	0.6
372.13589	0.8
375.16055	0.9
385.51846	0.6
387.15970	0.9
390.14612	0.7
393.16992	1.0
405.17111	0.9
423.17969	100.0
424.18213	4.4
491.24219	2.1
492.36450	0.7
509.25171	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
53.52620	0.5
55.01863	1.3
55.05507	16.4
56.92292	0.5
57.03422	1.2
63.34038	0.5
65.03925	0.6
67.05508	3.1
68.54317	0.6
69.03409	2.1
69.07077	1.2
69.92236	1.0
71.04985	1.4
77.03907	1.1
79.05491	6.7
81.07052	14.3
83.04976	34.1
84.39461	0.5
85.06548	1.2
87.04456	1.1
91.05472	17.7
93.07036	7.7
93.78004	0.5
95.04956	7.8
95.08577	4.2
97.06516	2.1
98.22718	0.6
99.04456	1.0
101.05998	2.1
103.05471	1.5
105.04533	0.9
105.07024	30.4
107.04930	1.0
107.08591	9.2
109.06509	3.9
115.05447	3.4
116.06255	1.1
117.07014	12.6
119.08575	13.5
121.06502	4.5
121.10127	2.0
123.08063	1.7
125.05985	0.8
128.06210	11.9
129.06989	14.7
130.07787	6.0
131.04913	1.0
131.08562	21.2
133.06485	3.6
133.10121	9.2
135.08043	3.6
137.05930	0.9
141.06963	4.5
142.07771	9.0
143.08554	47.6
144.09251	2.2
145.06502	4.4
145.10110	76.9
146.07268	1.0
146.10442	2.0
147.08063	5.4
147.11697	3.8
149.06010	0.6
149.09598	9.7
151.07495	1.8
153.06992	2.7
154.07767	1.7
155.06094	1.0
155.08545	18.0
156.09329	6.1
157.06514	0.9
157.10117	22.0
158.07278	1.8
158.10762	1.0
159.08069	1.7
159.11674	11.7
159.12941	1.0
161.09604	24.5
161.13255	3.8
163.11223	1.6
165.06998	6.1
166.07764	1.0
167.08536	2.3
167.10672	0.7
168.09334	0.9
169.10117	4.5
170.10893	3.9
171.08035	5.5
171.11662	9.1
172.08830	1.3
173.09613	35.8
173.13240	1.7
174.10081	1.0
175.11200	4.0
175.14792	4.7
179.08533	0.8
180.09334	5.6
183.07996	0.8
183.10152	2.6
183.11696	3.2
184.08832	1.0
185.09615	1.8
185.13245	29.1
186.13562	0.8
187.11188	4.2
189.09058	1.1
189.12709	5.0
191.10680	3.2
193.39758	0.6
195.11662	14.2
198.10411	2.8
201.12715	5.2
203.14307	20.5
204.14738	0.7
213.12720	39.8
215.10696	0.7
219.13768	1.9
221.15340	0.9
231.13786	100.0
232.14136	2.7
233.11697	1.1
247.19742	0.6
249.14841	6.3
273.14880	2.1
291.15872	2.6
309.16937	4.4
409.44778	0.6
410.63470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.05506	25.7
63.17820	0.9
67.05495	2.6
69.17047	2.2
69.17448	5.5
71.04994	1.8
77.03928	1.1
79.05499	5.0
81.07059	7.1
83.04974	56.9
91.05470	18.1
91.21116	1.1
93.07030	8.8
95.04961	3.3
95.08611	3.5
97.06526	2.5
98.23461	1.8
99.04462	1.3
101.05997	2.5
103.05464	1.2
105.07021	27.3
107.08585	8.9
109.06508	3.1
110.15948	1.0
115.05432	4.2
116.06166	1.2
117.07016	15.2
119.08576	10.4
121.06493	1.8
121.10101	1.9
123.08092	1.5
125.06006	1.2
128.06210	13.1
129.06995	20.8
130.07779	4.6
131.08559	24.9
133.06505	4.3
133.10136	8.5
135.08015	1.7
141.06985	6.0
142.07748	12.4
143.08551	53.0
144.09380	2.9
145.06499	3.8
145.10110	51.3
147.08066	6.7
147.11681	4.5
149.09590	4.1
153.06995	4.5
154.07726	2.7
155.08542	30.6
156.09329	8.0
157.10101	24.3
158.07291	1.5
159.08081	2.4
159.11671	10.7
161.09604	12.1
161.13278	2.4
165.06982	9.4
167.08542	3.0
168.09332	3.1
169.10109	7.9
170.10918	3.7
171.08052	3.1
171.11655	11.1
173.09613	40.6
173.13255	2.4
174.10283	2.1
175.11203	6.5
175.14767	2.2
180.09302	6.6
183.10164	5.0
183.11687	8.3
184.12428	2.8
185.13228	33.7
186.13638	1.4
187.11191	2.8
189.12737	4.2
191.10663	6.9
195.11662	16.5
198.10402	2.3
201.11089	1.1
201.12764	5.3
203.14323	13.2
213.10643	2.0
213.12723	41.2
214.13113	1.2
219.13730	1.3
221.15323	3.1
231.13783	100.0
232.14142	2.1
249.14891	2.7
282.03070	1.1
393.96005	1.1
504.56158	1.2
521.32629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.3
56.90973	2.2
57.03440	7.9
59.67264	2.4
67.05496	26.2
69.07068	17.2
69.78426	5.6
69.78796	4.2
72.08162	2.7
79.05481	6.8
81.07049	38.7
82.94707	2.2
83.08609	7.8
85.06514	2.9
87.82262	2.3
91.05477	5.4
93.07039	7.4
95.08603	27.0
96.05450	2.2
97.10174	4.1
98.98461	51.0
103.61195	2.4
107.08639	3.5
109.10156	14.3
119.08591	7.1
121.10159	2.7
123.11681	4.4
133.10130	3.2
135.11642	2.7
147.11673	3.1
155.01012	4.4
173.02101	9.8
177.49323	2.6
200.56386	2.4
263.23679	4.3
309.61893	2.9
330.82272	2.5
337.27350	100.0
338.27734	7.2
341.54221	2.4
425.67963	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	509.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54818	0.4
59.76544	0.5
60.33022	0.4
61.84863	0.5
63.49952	0.4
69.73133	0.4
70.06540	0.6
70.37998	0.4
70.38309	0.5
149.02348	1.1
165.96487	0.4
171.41301	0.4
193.05066	0.8
237.07607	1.1
241.39017	0.4
264.31171	0.5
278.86371	0.4
460.84274	0.5
465.33380	7.7
472.79675	0.5
509.32370	100.0
510.32925	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	510.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
53.92510	1.4
55.01861	6.0
55.05499	2.9
57.03421	4.1
61.02913	4.0
65.03922	2.7
67.05515	1.3
69.03427	13.3
69.44278	5.2
69.44682	3.1
71.04986	4.5
73.02897	4.6
81.03417	15.7
81.07048	2.5
83.04965	3.7
85.02895	37.7
87.00830	17.8
91.05472	100.0
92.05830	1.9
96.70702	1.5
97.02890	35.9
98.23441	3.4
99.04428	8.0
99.38118	1.6
101.06010	2.6
105.01866	12.8
105.07021	2.5
109.02863	15.6
110.26608	1.5
117.01822	2.3
119.07054	2.4
127.03902	41.6
129.01855	2.8
139.20856	1.4
143.08539	1.6
145.04956	23.6
145.10146	2.6
158.10324	1.5
159.02876	15.1
213.12639	2.9
214.13091	2.3
231.05013	5.5
231.13791	3.0
232.14162	2.1
235.77386	1.7
245.07933	3.5
466.24707	1.8
492.22791	8.7
510.23978	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	510.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06992	1.3
55.05500	4.2
65.03926	2.5
69.03414	3.6
81.03398	3.2
83.08616	2.3
85.02890	12.7
87.00803	4.0
91.05476	100.0
97.02890	8.3
99.04457	2.3
100.11254	13.5
105.01856	4.0
109.02852	5.7
117.01871	2.0
127.03894	11.9
145.04941	4.8
159.02895	4.4
167.03467	3.1
182.15416	5.6
184.16908	1.7
287.03729	2.8
289.05212	4.4
290.05820	2.3
309.21643	1.7
311.23392	1.8
329.06107	1.7
492.22955	2.6
509.40549	5.1
510.23083	5.8
510.41327	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	510.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
57.66512	4.0
57.87622	3.7
69.03429	16.8
69.07465	20.6
69.07881	9.0
70.06592	7.9
71.04987	4.8
73.02896	6.1
73.38821	4.2
81.03422	22.6
85.02899	40.9
87.00826	16.7
91.05472	100.0
94.93961	3.9
97.02876	34.8
97.07139	3.7
99.04465	8.2
100.11260	6.1
103.03932	4.5
105.01870	14.7
105.07067	4.6
109.02866	29.6
127.03899	50.9
135.04366	6.2
145.04933	21.6
145.10139	5.1
159.02872	9.4
163.03893	13.6
213.09027	6.9
231.04955	10.4
249.06076	6.0
251.14461	5.4
292.14139	4.8
302.10217	20.7
310.83606	4.1
313.14218	7.8
510.13834	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	510.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01852	3.3
57.57832	2.9
65.03925	2.4
65.92257	2.3
69.03425	9.7
69.21921	5.6
69.22341	9.5
79.05482	3.1
81.03426	12.6
85.02899	29.4
87.00822	14.8
90.19357	2.6
91.05473	100.0
97.02891	15.8
98.23563	4.2
99.04485	3.6
105.01880	10.4
109.02860	12.7
117.01830	3.3
127.03928	26.4
135.04344	2.1
141.04109	2.4
145.04958	13.2
149.02354	2.9
149.05963	2.7
159.02895	7.4
159.04364	2.4
163.03893	5.1
167.03400	2.9
169.32990	2.3
173.56825	2.7
174.59404	2.1
191.03505	2.6
213.50146	2.6
231.05013	3.8
233.04312	4.4
245.04561	5.5
251.07022	2.9
263.05588	2.9
269.08099	10.3
289.05411	4.3
293.07977	8.1
311.09000	3.8
317.08337	3.8
335.09045	13.4
353.10202	5.7
439.10046	4.8
457.10757	4.1
510.23749	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	510.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	26.7
55.01856	4.4
55.05500	3.3
57.03422	3.4
61.02913	4.8
68.99776	2.3
69.03425	22.4
70.03735	1.3
71.04977	6.1
73.02893	8.7
81.03408	52.1
83.04939	1.9
83.08607	3.0
85.02897	56.8
87.00818	31.3
91.03954	1.9
91.05453	2.8
97.02881	42.5
99.04447	27.4
103.03932	11.3
104.54565	1.3
105.01857	26.2
107.76604	1.3
109.02869	87.8
117.01801	3.2
121.06485	1.5
127.03906	100.0
129.01843	6.2
135.08110	1.5
145.02873	2.4
145.04938	25.8
147.02878	4.5
151.07480	1.8
159.02859	18.6
163.05988	6.8
169.04961	2.9
177.03932	2.9
177.05438	3.1
183.00450	1.5
185.42767	1.4
187.06024	3.5
191.10706	1.4
209.11742	2.0
213.03935	20.7
231.04985	42.8
237.78308	1.5
249.06113	8.3
273.05942	6.1
291.07065	11.8
324.58115	1.3
346.59137	1.5
357.08096	5.6
375.09250	8.7
393.10135	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	510.247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79626	1.4
51.90247	0.9
55.01878	4.3
55.05506	4.9
55.73722	1.3
57.03431	1.3
67.05507	5.0
69.03424	2.8
69.07066	5.1
69.07871	8.4
70.06597	1.6
70.49481	1.1
71.04989	1.2
79.05499	3.0
81.03414	1.8
81.07053	22.7
83.04971	3.2
83.08613	2.3
85.02901	6.1
85.06572	1.2
87.00840	2.5
91.05483	3.0
93.07070	5.5
95.04961	1.7
95.08620	7.8
97.02892	1.6
105.01876	2.7
105.07037	3.3
107.08597	3.7
109.02885	2.4
109.06490	7.5
109.10132	4.4
111.04431	16.0
111.08082	1.1
117.04921	1.3
119.08585	5.5
121.10134	5.3
123.08048	1.8
123.11678	1.9
125.05991	4.1
127.03922	3.3
131.08563	1.7
133.10126	4.6
135.08022	3.8
135.11713	3.0
137.05965	100.0
137.13284	2.0
138.06311	1.3
139.07545	1.3
143.08508	1.6
145.10135	1.4
147.08090	1.5
147.10666	1.5
147.11621	5.6
149.09625	4.3
149.13255	2.4
151.07558	2.8
157.10123	1.2
161.09604	7.4
161.13243	2.9
163.11169	2.2
165.12735	1.4
175.11188	5.6
179.10655	1.8
189.12732	1.6
191.17917	1.3
193.12154	1.6
203.14322	1.2
203.17957	5.3
209.13200	1.5
213.16403	3.0
221.19034	1.7
227.14291	1.8
231.04704	1.3
231.17427	9.8
241.16177	1.2
249.18355	7.1
277.17941	56.1
287.24313	1.3
295.19101	11.2
309.12335	1.2
320.22116	2.8
351.21646	60.3
352.21976	1.9
369.14804	2.4
369.22687	28.0
460.47488	1.2
505.83954	1.2
510.23816	4.9
511.20163	1.9
514.05072	1.2
522.41364	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94460	0.9
53.41271	0.9
61.31384	0.8
69.95073	2.7
73.56138	0.8
79.05488	1.3
91.05481	2.2
93.07015	1.0
95.05002	1.0
98.23369	1.0
107.04961	1.2
121.06507	1.6
131.04901	1.1
133.06491	1.3
136.05170	2.1
137.05988	3.9
138.06734	1.9
148.05170	12.5
151.03900	1.7
151.07532	4.0
153.09096	1.0
161.05963	2.6
163.07532	1.7
165.05498	1.8
165.09123	1.9
166.06227	11.6
167.07077	1.8
172.08820	0.8
175.07527	1.9
176.08298	3.0
177.09062	5.0
180.07785	2.1
181.08575	100.0
182.08980	2.1
183.32181	0.8
188.08220	1.2
189.09035	1.1
191.07050	1.5
191.10675	2.8
193.08574	6.4
195.10118	6.7
201.09071	1.4
202.09917	2.7
205.08844	0.8
206.09390	1.6
207.10161	7.2
208.65979	0.9
209.11679	1.3
216.11435	1.8
217.08568	1.0
218.09506	1.0
219.09998	1.1
221.11722	1.9
231.10081	1.1
233.11734	5.5
247.13248	2.2
251.12846	2.4
316.02661	0.9
334.18771	0.8
383.18539	2.6
384.19135	2.6
400.18799	6.1
401.19507	0.9
415.21161	16.0
417.99887	1.1
433.22311	9.0
466.24792	1.7
510.24069	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	510.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	15.2
58.55917	2.2
67.05496	4.4
69.07051	4.5
79.05478	9.8
81.07057	11.8
83.04983	18.5
83.08582	2.3
85.06524	5.4
86.49724	2.8
87.96776	2.0
91.05460	20.4
93.07030	17.1
95.04955	23.9
95.08591	11.3
97.06516	6.9
98.22699	4.5
99.72943	2.4
105.07021	84.2
105.70074	2.4
107.08583	22.0
109.06510	9.1
109.10175	3.6
111.08028	3.0
115.05469	3.4
117.07001	17.1
119.08559	47.6
121.06490	9.5
121.10114	10.4
123.08073	4.5
128.06183	3.9
129.06981	11.6
130.07779	5.7
131.08549	33.2
133.06467	5.4
133.10133	19.8
135.08026	4.0
137.09613	3.0
141.07063	3.8
142.07751	29.9
143.08542	9.9
144.09320	2.2
145.10101	46.4
146.07236	2.6
147.07964	3.7
147.11673	50.1
149.09642	5.0
151.11154	2.9
155.08543	8.4
156.09315	4.5
157.10101	67.7
158.10843	4.4
159.08052	8.4
159.11670	38.3
160.08810	2.6
161.09534	5.5
161.13202	2.9
163.11220	4.0
167.08635	3.4
169.10072	5.3
171.11688	4.7
172.12471	3.0
173.09630	5.2
173.13243	10.1
175.11168	100.0
177.12744	5.2
177.16264	2.6
182.10909	6.2
187.14804	38.3
189.12740	4.0
193.12196	8.2
197.13260	20.3
205.15860	5.6
215.14285	59.1
233.15308	26.9
250.17986	6.2
251.16264	3.9
308.59824	2.6
313.34970	2.7
353.69754	2.2
510.33124	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	510.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25196	7.1
55.05499	13.4
62.32232	7.5
67.05489	17.1
69.47804	7.3
71.09246	9.4
79.05474	21.1
81.07041	20.2
83.04990	46.2
86.09683	9.2
91.05471	64.7
93.07037	23.9
95.04937	19.0
95.08596	22.9
104.10742	21.9
105.07037	96.7
105.11043	9.1
107.08586	21.0
109.06509	10.6
117.07005	52.5
119.08587	65.5
121.06489	9.5
125.00043	10.0
126.09570	8.2
128.06258	10.5
129.06979	26.6
131.08560	82.9
133.10146	61.4
135.79799	7.0
142.07782	32.0
143.08571	15.8
145.10121	50.3
147.11664	34.7
155.08574	12.2
157.10135	86.2
159.11696	57.5
161.09601	19.7
164.28625	8.7
169.10072	10.6
171.11716	14.0
175.11168	100.0
177.12691	9.0
182.10815	9.6
184.07307	24.6
185.07661	9.4
187.14778	32.3
191.14206	12.3
197.13257	19.4
215.14270	59.4
233.15398	27.5
356.53409	7.6
457.63928	7.4
510.34622	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	510.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	26.6
67.05499	17.2
71.04987	9.7
71.43565	10.4
79.05487	13.5
81.07053	38.5
81.35331	7.3
83.04971	38.4
88.21638	6.8
91.05470	68.9
93.07039	34.0
95.04964	27.9
95.08608	15.6
105.07025	98.5
107.04987	9.2
107.08609	26.0
117.06997	39.4
119.08546	57.1
121.06444	9.9
126.04727	6.8
128.73164	6.7
129.06990	35.2
131.08563	86.5
133.10149	52.6
135.08038	12.4
142.06773	8.3
142.07744	39.0
143.08577	15.2
145.10085	39.2
147.07994	14.9
147.11696	49.6
155.08572	15.0
157.10103	100.0
159.08057	7.8
159.11685	60.0
161.09595	12.5
169.10072	16.5
171.11711	13.7
173.13196	14.3
175.11192	99.3
182.10843	13.7
187.14786	42.1
197.13214	21.1
215.14305	83.9
233.15366	42.2
295.99451	8.5
400.59695	8.8
402.46585	7.9
460.67380	8.5
535.02325	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	510.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	12.5
57.45765	6.7
63.56662	7.1
64.98507	6.4
68.76059	7.8
71.32417	6.9
75.97342	6.3
81.07029	10.9
83.04975	28.4
91.05456	22.8
93.07032	9.3
101.06004	13.0
105.07021	58.0
107.08566	8.1
117.06969	19.1
119.08604	46.3
129.07007	14.6
131.08553	53.1
133.10147	9.6
142.07768	17.4
143.08536	17.6
145.10136	54.7
147.11665	100.0
149.02307	14.9
155.08569	16.7
157.10095	52.2
159.11674	61.5
161.09627	9.1
169.10194	8.3
173.09608	8.7
173.13182	12.0
174.34903	7.0
175.11183	87.0
185.13239	10.8
187.14806	73.3
193.04907	11.9
197.13239	14.7
215.14270	29.2
231.13712	12.7
232.14078	11.5
233.15334	10.9
237.07593	16.3
510.33972	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	510.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04227	1.5
55.05506	11.8
55.62906	1.1
57.07066	5.2
60.43663	1.2
67.05496	7.7
69.07067	6.7
70.17307	1.1
71.08624	2.2
79.05503	6.0
81.07047	10.2
83.04971	28.3
83.08620	2.3
85.06535	2.5
86.09680	2.3
91.05469	11.3
93.07036	10.7
95.04958	1.6
95.08596	12.4
100.66525	1.2
101.05999	3.8
104.10744	5.9
105.07024	24.2
107.08588	12.0
109.10143	5.1
117.07015	19.1
119.08561	14.6
121.10101	8.2
124.48130	1.3
124.99999	2.4
127.85947	1.3
129.06985	2.8
130.07779	4.0
131.08556	15.9
133.10118	8.6
134.66486	1.3
135.11768	3.0
143.08571	3.3
144.09309	2.3
145.10100	71.5
146.10513	1.5
147.11647	2.0
147.50233	1.4
157.10117	1.5
159.11662	28.7
161.13217	11.8
171.11517	1.3
173.13277	5.8
178.02618	1.1
183.10149	2.4
183.28041	1.2
184.07259	5.8
201.16360	100.0
202.16753	3.8
219.17419	5.0
239.23718	2.8
245.10963	1.2
285.68188	1.2
313.27441	5.7
332.20999	1.3
384.01230	1.6
464.77829	1.4
510.34732	2.9
530.53003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.0
57.85656	3.2
67.05507	9.3
69.07045	8.8
69.19514	3.6
76.87097	3.3
79.05495	9.0
81.07053	15.2
81.62337	4.1
83.04953	19.4
83.08624	4.0
85.06511	4.3
91.05480	14.9
93.07031	13.0
95.08604	13.8
103.01443	3.8
105.07019	29.0
107.08604	9.7
109.10135	7.7
117.07042	22.6
119.08562	10.5
121.10162	5.2
126.03121	3.9
129.07047	3.6
130.07747	4.7
131.08568	19.0
133.10100	7.2
135.94225	3.6
143.08536	3.5
145.10107	90.4
156.97427	3.8
159.11642	34.2
161.13173	7.9
173.13243	5.8
201.16365	100.0
205.46423	3.9
511.34451	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	510.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85506	5.7
55.05502	17.9
57.07074	11.1
63.23933	6.4
65.72668	6.2
69.07069	11.9
71.43140	7.5
76.79128	6.2
80.33047	6.2
81.07058	18.2
83.04974	31.8
88.29531	7.0
88.75551	6.1
89.06043	11.5
91.05486	16.0
95.08600	14.8
105.07030	25.4
107.08582	8.9
109.10148	6.7
112.84357	6.1
117.07024	22.5
119.08582	26.3
121.10149	10.1
129.00920	7.0
131.08542	19.4
143.08530	8.1
145.10117	100.0
146.10631	7.5
159.11650	46.3
161.13295	15.0
201.16341	80.5
203.32329	6.6
210.09610	6.5
219.17444	18.8
303.26709	8.4
358.75720	7.9
388.37869	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	510.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.4
56.56018	0.8
57.07067	4.0
58.06592	1.8
59.07397	0.7
60.08160	20.1
62.77631	1.1
64.05400	0.9
67.05486	1.7
71.07359	6.7
71.08631	1.9
71.30447	1.4
74.09702	2.0
75.03714	0.9
76.83418	1.1
81.07068	2.1
82.16726	0.9
83.04977	1.3
85.10152	1.3
86.09693	50.7
95.08598	2.5
96.74637	0.8
98.56220	0.9
98.98450	6.6
104.10729	100.0
105.07034	1.2
105.11048	1.2
109.10133	1.1
114.95614	0.8
124.99982	27.3
127.37283	1.0
131.08530	1.2
145.10144	1.0
157.10139	1.7
163.58012	0.8
174.44151	0.9
184.07317	95.1
258.11038	1.1
327.29053	1.2
338.27560	1.2
492.34427	8.0
510.35501	27.1
511.35461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.8
56.05027	1.5
57.07076	2.0
58.06577	2.1
60.08162	16.6
67.05492	1.8
69.07059	1.0
71.07369	5.4
71.08630	1.6
71.30091	1.0
81.07038	2.3
83.08591	1.3
85.10191	1.3
86.09700	50.9
91.05474	1.0
95.08604	2.1
98.98475	5.7
103.28096	1.1
104.10735	96.2
105.07032	1.5
105.11018	0.9
124.99995	25.5
131.08556	1.2
133.10133	0.9
162.14879	0.8
166.56879	0.8
184.07333	100.0
185.07668	0.8
197.13065	0.9
199.29247	0.7
239.84619	0.9
245.54701	0.7
258.11121	0.9
327.29156	2.0
338.27728	5.3
492.34570	8.3
510.35495	27.8
511.35809	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1424
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
50.13060	0.5
58.57453	0.5
62.24905	0.4
70.06577	0.6
87.20383	0.4
89.21471	0.4
97.02859	0.5
145.02786	0.6
147.04497	0.5
163.03922	0.7
177.05501	0.7
185.04208	1.5
259.07919	1.2
274.80472	0.5
331.07910	0.7
347.09442	24.7
348.09442	0.5
349.08884	2.8
376.40982	0.5
511.14117	100.0
512.14722	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	511.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61068	0.6
54.26153	0.6
63.43184	0.5
70.06583	1.9
75.77553	0.6
81.07045	0.8
82.85529	0.6
91.11011	0.7
100.11237	1.0
107.08610	0.9
135.04376	1.3
147.04373	1.5
163.03905	1.8
174.96440	0.7
202.06078	3.3
203.06729	0.9
226.88489	0.7
263.12778	0.9
331.07773	3.8
493.30499	0.9
511.15753	100.0
512.15948	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	511.269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17286	7.0
67.05499	8.3
68.38905	6.8
69.41476	38.0
79.05495	7.9
81.07049	11.3
85.02920	8.3
91.05488	9.5
93.07034	14.7
95.08616	12.5
98.22772	16.4
105.07028	11.6
107.08578	16.5
109.10140	8.4
111.04417	6.5
117.07035	9.1
119.08556	9.7
145.06453	8.5
159.08040	7.5
159.11766	10.1
161.05975	34.0
163.07570	7.6
173.09589	7.9
175.07603	21.1
175.11182	11.3
187.11240	8.5
191.07039	21.3
193.12299	10.1
194.93733	7.4
201.12711	11.3
205.12271	27.4
214.09898	12.5
217.12181	17.0
219.10254	9.2
229.12210	100.0
231.13930	9.2
247.13322	30.7
256.26639	7.1
267.68991	7.5
283.26428	11.7
312.23544	7.3
424.55576	7.4
439.84848	6.6
447.25061	12.0
457.24829	7.6
475.24719	14.1
493.26413	7.9
512.50012	10.7
522.17456	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	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57132	0.5
55.01878	1.6
55.05505	8.7
57.03432	1.1
57.07070	15.1
64.76604	0.5
65.03934	0.9
67.05502	2.9
69.03426	2.7
69.07052	1.3
71.04991	1.5
71.34460	0.6
77.03929	0.5
79.05485	6.9
81.07050	12.4
82.07427	0.6
83.04977	21.6
85.06545	3.4
87.04470	0.6
91.05473	16.0
93.07034	7.8
94.45173	0.5
95.04961	7.4
95.08604	3.3
97.06524	2.4
101.06028	0.6
103.05444	1.0
105.07024	28.8
106.07388	0.7
107.04971	1.7
107.08588	10.0
109.06512	4.1
109.10080	0.6
115.05461	2.6
116.06229	0.9
117.07018	14.0
119.08567	12.8
121.06499	5.4
121.10154	2.2
123.08042	1.6
125.06042	0.9
128.06207	9.8
129.06999	13.7
130.07802	5.2
131.04950	1.1
131.08557	19.2
133.06474	3.7
133.10120	11.5
135.08031	3.2
137.05905	0.8
141.06989	3.7
142.07776	6.8
143.08549	42.7
144.09282	1.7
145.06470	2.4
145.10114	78.4
146.10484	1.2
147.08023	5.1
147.11696	3.4
149.09615	10.8
151.07500	1.1
153.06990	3.2
154.07825	1.5
155.06029	0.7
155.08542	15.4
156.09348	5.6
157.06514	0.8
157.10120	21.5
158.07263	2.4
158.10722	1.1
159.08066	2.3
159.11699	9.9
161.09607	25.1
161.13269	3.0
161.95985	0.5
163.11162	1.8
165.07007	6.3
167.08580	2.0
168.09372	0.8
169.10118	4.7
170.10902	3.8
171.08035	5.0
171.11671	8.6
172.08739	0.8
173.09607	40.6
173.13255	2.0
174.10106	1.1
175.11172	2.5
175.14862	4.1
177.36351	0.6
179.10672	1.2
180.09309	6.2
183.07994	0.9
183.11678	2.9
184.12515	0.6
185.09677	1.7
185.11795	1.9
185.13240	30.4
187.11169	4.1
189.09084	1.5
189.12767	4.1
191.10693	3.0
195.11674	14.9
198.10347	2.4
199.10927	0.6
201.12735	4.1
203.14301	21.3
213.12723	41.3
214.13123	1.5
215.10706	1.2
219.13834	1.5
231.13785	100.0
232.14145	2.2
233.11734	1.3
249.14905	6.0
258.80188	0.6
273.14804	1.3
291.15808	2.5
309.16895	3.6
511.34250	2.3
527.92346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44979	0.2
63.69360	0.2
69.17975	0.9
69.18383	0.4
74.06062	0.2
83.04961	0.3
94.82532	0.2
105.07005	0.3
147.92252	0.2
149.02350	0.5
179.73181	0.2
193.04962	0.6
194.05284	0.3
213.12727	0.3
214.13293	0.2
231.13850	0.3
232.14201	0.3
233.14372	0.4
237.07552	0.5
238.08029	0.5
248.85281	0.2
253.24759	0.2
253.57915	0.2
276.96136	0.2
301.29184	0.3
467.34940	5.9
505.82101	0.2
511.33908	100.0
512.34241	5.6
529.34747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38332	0.3
55.05497	0.4
70.67704	0.4
72.80179	0.3
83.04966	0.9
91.05497	0.5
92.59505	0.4
94.59241	0.3
118.87112	0.3
143.08539	0.6
145.10141	0.4
162.54950	0.4
169.50194	0.3
231.13799	0.4
232.14217	0.5
233.14340	0.3
312.69662	0.3
399.74719	0.3
467.34946	6.3
511.33902	100.0
512.34247	6.4
529.35461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30421	0.4
71.43118	0.5
82.63141	0.5
89.15630	0.4
100.04523	0.5
149.02350	0.6
159.69849	0.5
169.39090	0.4
193.04887	0.4
221.01662	0.5
372.07043	0.4
380.16113	0.5
467.35037	1.3
511.33923	100.0
512.34186	5.6
529.34741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39882	0.3
69.92449	0.8
69.92770	0.5
75.98541	0.4
146.09230	0.4
148.82082	0.3
153.58186	0.4
200.11720	0.4
511.33911	100.0
512.34320	5.9
529.34772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.4
63.95390	0.7
65.03941	6.4
67.05468	2.3
69.03403	1.7
69.17422	4.2
77.03854	0.8
79.05483	7.8
80.04987	1.7
81.03423	4.2
81.05765	2.0
82.04196	1.3
85.02898	4.0
88.66064	0.8
92.02504	0.6
92.05003	5.1
93.03401	1.0
94.06528	1.5
95.04959	3.7
96.08128	5.5
97.02890	0.8
97.06494	0.7
105.04516	0.9
106.06547	40.6
107.04963	1.0
108.02055	0.7
108.08107	11.4
109.02872	1.2
109.05227	1.9
110.03658	1.1
111.04425	1.6
122.06004	2.0
123.04349	0.8
123.06807	5.0
124.07591	24.9
125.05963	1.2
125.70425	0.7
134.06006	26.4
136.07565	3.1
138.03075	1.5
140.04668	3.5
142.02605	1.2
150.05467	2.9
152.07059	65.4
153.05443	3.2
153.07497	1.3
155.06970	1.8
168.06598	6.7
170.08121	47.8
171.06502	4.6
171.08377	1.0
181.04942	100.0
182.05186	1.1
199.06032	1.3
249.94168	0.8
272.09250	1.0
286.07135	0.8
286.10892	1.1
287.11273	1.1
288.12311	2.9
293.05984	0.6
302.10239	1.6
314.12549	1.0
325.09106	3.9
332.13681	1.6
343.10278	2.0
434.76105	0.8
494.16574	24.5
495.16589	1.4
495.48376	0.8
512.17664	39.9
513.15680	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	512.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	16.7
55.01866	6.1
55.05511	1.7
57.03439	2.5
60.24589	1.5
61.02935	3.2
68.99786	3.0
69.03420	22.1
69.76450	2.9
69.76837	4.1
71.04979	5.8
73.02913	5.9
81.03415	37.7
85.02401	3.5
85.02902	56.1
87.00826	29.3
97.02889	33.9
99.04450	25.1
100.11234	3.0
103.03934	11.4
105.01865	19.9
109.02873	77.0
114.67252	1.6
116.83321	1.7
117.01868	3.1
127.03911	100.0
129.01790	5.4
145.04932	22.2
147.02882	3.5
159.02881	11.5
163.03857	5.7
163.06030	6.8
164.04205	3.3
169.04977	2.1
177.03975	2.3
187.06009	2.7
213.03915	15.0
229.16115	2.1
231.04977	35.6
249.06105	6.6
273.05933	3.9
291.07074	11.7
332.08850	1.7
336.87643	1.8
345.27228	1.8
347.24548	1.8
351.12656	4.1
357.08102	4.3
375.09427	8.9
375.16501	2.1
393.10196	7.2
513.26556	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	512.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01853	2.2
55.05498	6.0
62.75745	1.8
62.78089	2.0
67.05498	8.9
69.07030	2.0
70.55200	2.6
71.04978	6.0
79.05469	15.3
81.07051	18.4
83.04969	10.0
85.06530	3.1
85.13562	1.9
91.05468	54.9
93.07038	19.8
95.04959	24.7
95.08607	8.7
97.06502	4.3
103.05466	2.9
105.07014	66.0
107.05005	2.8
107.08578	10.8
109.06513	8.3
109.16776	1.9
115.05444	12.7
116.06231	4.1
117.07008	62.7
119.04925	4.0
119.08562	19.5
120.80235	2.0
121.06495	8.9
121.10124	3.2
123.08060	2.7
126.75488	1.7
128.06198	23.4
128.07068	2.2
129.06989	41.1
130.07808	12.1
131.04887	2.9
131.08549	49.9
132.08759	2.4
133.06479	9.1
133.10118	24.3
135.08080	5.1
137.05986	2.5
141.06992	6.8
142.07773	17.8
143.08543	47.6
144.09320	3.0
145.06482	6.5
145.10107	77.1
147.08072	9.8
147.11682	4.5
149.09619	7.3
151.07570	2.2
153.06944	3.1
154.07782	4.1
155.05952	2.4
155.08557	18.7
156.09317	8.0
157.10109	31.8
158.07295	3.4
159.08080	5.9
159.11676	11.7
161.05965	2.1
161.09607	16.5
161.13264	3.8
163.11194	5.6
165.06984	3.9
167.08615	2.6
169.10106	7.7
170.10909	4.6
171.08054	4.5
171.11662	17.2
173.09596	100.0
173.13246	3.9
175.11172	13.9
175.14761	3.1
177.09149	3.9
180.09258	3.0
185.13239	25.9
187.11201	5.7
189.12672	4.9
191.10634	20.1
195.11642	7.8
201.12830	2.3
203.14316	18.4
209.84808	2.2
213.12683	26.5
231.13756	41.7
233.11728	6.8
235.21906	2.1
249.14877	6.7
278.95285	2.2
310.79529	2.0
359.20233	2.3
411.26428	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92057	1.1
53.03950	2.4
55.01870	3.0
55.05508	7.7
65.03950	2.5
67.05508	5.0
69.03423	4.2
69.07064	2.2
71.05020	1.4
71.41189	1.6
76.01549	1.4
76.69859	1.2
77.62630	1.1
79.05489	14.2
81.03423	11.9
81.07063	5.1
83.04980	28.5
91.05479	37.3
93.07040	10.1
95.04967	79.2
95.08618	2.6
96.05321	1.6
97.02895	2.2
97.06526	42.7
101.06010	12.5
103.05471	4.8
105.04556	1.9
105.07024	27.7
107.04961	10.0
107.08585	9.5
107.50280	1.3
108.08172	1.4
109.02863	6.8
109.06500	13.1
109.10131	1.7
109.63543	1.2
111.04469	3.2
111.08095	2.3
115.05461	3.5
116.06246	1.3
117.07009	7.1
119.04939	21.3
119.08614	8.2
121.06518	7.9
121.10115	3.2
123.04440	8.3
123.08094	2.1
128.06227	2.9
129.07021	6.9
130.96570	1.2
131.04974	4.5
131.08545	12.5
133.06485	21.1
135.04425	3.9
135.08041	15.1
135.49597	1.6
137.05962	6.9
137.09659	3.0
141.07021	3.9
142.07764	2.5
143.08569	6.2
144.05763	1.4
145.06494	13.6
145.10130	2.7
147.04405	11.3
147.08055	8.1
149.06003	5.6
149.09625	8.4
151.07523	2.1
156.09335	3.2
157.06490	2.8
157.10173	3.3
159.08017	10.8
161.05974	100.0
161.09621	2.8
163.03925	2.2
163.07544	14.9
165.05516	1.9
167.07147	1.3
171.08035	3.6
171.11658	6.3
173.09706	1.9
175.07538	8.8
177.09067	8.9
179.07066	3.4
181.08656	2.9
181.10178	3.9
183.08110	1.8
183.10201	6.5
185.09659	3.1
187.07570	8.2
189.12723	2.4
193.08586	2.8
195.10199	2.5
197.09616	2.0
199.11180	26.0
201.09283	2.4
201.11212	6.3
203.10719	2.0
205.08586	8.3
217.12263	5.4
223.09702	2.7
227.10670	6.5
245.11745	7.0
263.12869	3.3
281.13913	3.3
312.18304	1.5
337.59247	1.3
513.13861	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	512.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.6
58.86065	4.6
59.96630	4.8
67.05489	11.3
79.05487	8.1
81.07051	17.1
83.04967	13.1
85.06543	6.1
91.05463	37.6
93.07020	23.8
95.04966	63.1
95.08607	8.7
101.06013	11.7
105.07018	49.5
107.08575	22.0
109.06535	8.7
112.12488	4.4
115.05455	5.5
117.07028	23.7
119.08572	31.2
121.06519	6.9
121.10153	8.4
123.08035	5.2
128.06223	8.5
129.06992	12.1
130.07782	10.0
131.08577	33.5
133.06482	17.8
133.10138	21.6
135.11755	4.9
137.09572	5.3
142.07756	10.2
143.08554	15.5
145.10112	100.0
147.08025	10.5
147.11693	13.6
149.09621	9.5
155.08559	6.4
157.10118	23.3
159.11716	12.5
161.09593	11.8
163.11168	10.3
173.09605	43.7
175.11223	9.0
175.14784	5.4
185.13257	16.0
189.12727	8.7
191.10655	26.9
199.14705	5.8
203.14241	22.8
213.12778	15.7
217.15858	15.7
231.13777	52.5
249.14937	12.2
324.10870	5.8
512.49701	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	512.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98529	2.9
63.20351	3.4
64.99647	3.0
69.48135	14.8
73.03291	2.7
78.22692	2.7
83.81403	2.9
91.05486	3.4
91.67271	3.1
98.23469	6.7
108.44526	3.1
149.09607	70.6
171.78700	4.3
173.09705	5.2
187.11110	4.5
195.06337	4.0
202.27356	3.1
215.10652	4.4
269.18866	4.8
271.20554	100.0
315.19608	6.6
365.46216	3.2
470.73431	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	512.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.7
57.07077	17.2
59.19458	2.0
67.05496	9.8
69.07063	8.3
70.06590	10.1
71.08617	9.4
79.05484	10.4
81.07048	28.2
83.04967	18.0
85.06537	3.2
85.10209	2.2
88.07617	16.0
91.05470	21.0
93.07036	30.0
95.04962	5.2
95.08602	29.7
97.06525	6.2
98.22875	10.5
102.09181	11.8
105.07016	42.6
107.08584	25.3
109.06502	8.6
109.10136	9.9
109.29182	1.8
117.07005	14.9
119.08571	45.8
119.09414	2.6
121.06495	5.8
121.10136	16.3
123.08076	3.0
123.11671	2.0
129.07010	7.2
131.08562	21.7
133.10118	27.1
135.08118	2.1
135.11696	7.3
142.07800	4.3
143.08588	10.2
144.09311	11.5
145.10132	11.3
147.11668	17.3
149.09673	2.1
149.13229	14.9
157.10101	14.6
159.11676	100.0
160.12024	1.8
161.09656	2.9
161.13214	19.8
171.11646	5.1
173.13237	7.1
175.11171	2.3
175.14792	2.3
177.12744	40.8
183.10181	3.3
184.12428	1.8
189.16380	17.0
199.14784	21.2
205.15816	2.4
209.63876	1.9
210.05856	1.8
217.15854	38.9
217.17801	3.3
228.23198	3.2
235.16920	8.3
256.26340	33.3
283.26251	40.1
285.07254	1.7
311.29428	5.0
326.04910	2.0
333.93872	2.0
380.96512	1.9
438.67288	1.8
512.50323	90.9
513.50989	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	512.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99926	1.8
55.05510	34.5
56.13373	1.9
57.07081	3.6
67.05498	7.2
69.07070	9.5
70.06575	3.2
71.08670	1.9
79.05489	8.3
81.07059	16.4
82.88831	1.8
83.04976	100.0
83.08620	3.4
91.05476	26.8
93.07043	13.9
95.08620	11.9
97.06532	3.8
101.06017	26.3
105.07022	45.1
107.04971	1.9
107.08580	15.5
109.06503	3.8
109.10151	4.9
117.06994	22.8
119.08572	37.8
119.43155	2.0
121.06496	2.6
121.10155	13.3
123.08057	3.3
128.06219	9.0
129.07007	15.4
131.08560	69.1
133.00404	1.9
133.08562	2.2
133.10120	32.4
137.09610	3.2
141.07011	2.4
142.07779	10.7
143.08562	27.2
145.10124	20.2
146.10951	2.6
147.08069	6.3
147.11665	20.6
149.09601	2.6
155.08493	2.1
157.10109	33.3
159.11623	13.5
161.09653	8.8
161.13240	25.3
171.11754	4.1
173.13251	30.5
175.11189	9.9
175.14816	9.8
183.10191	7.5
189.16374	30.0
191.14183	2.5
191.69412	2.4
199.14796	42.0
207.17566	2.5
217.15854	53.7
235.16968	5.0
256.26407	4.7
277.18063	2.3
283.26334	5.6
347.90787	2.1
404.33350	1.9
458.09833	2.6
512.50427	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	512.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43055	5.3
55.05505	10.7
67.05515	8.6
70.85756	9.7
78.13515	5.3
79.05477	22.4
81.07053	45.8
83.04974	38.2
91.05465	27.8
93.07048	34.2
95.04972	38.1
95.08612	9.9
97.06533	13.7
101.06041	7.4
103.05457	5.7
105.07013	64.5
107.04955	9.8
107.08572	16.3
116.06236	6.1
117.07025	28.5
119.08583	19.4
121.06489	10.5
121.10175	11.8
127.03982	6.0
128.06190	11.9
129.06995	18.8
130.07779	11.6
131.08559	31.3
133.10146	9.3
142.07784	7.2
143.08565	33.7
145.06496	8.3
145.10118	100.0
145.82513	6.1
147.08047	12.1
147.11667	10.9
149.09634	12.4
155.08572	13.8
157.10135	13.0
159.11740	11.9
161.09628	8.2
167.10658	8.4
169.10077	6.5
173.09618	37.2
175.11151	8.4
175.22980	6.1
185.13237	22.1
187.11192	11.9
191.10681	20.6
201.11198	6.0
203.14355	8.5
208.54665	6.2
213.12662	8.1
231.13864	10.8
239.89616	5.7
249.14935	11.1
294.20590	11.7
295.95810	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	512.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	14.8
65.03932	3.8
66.18839	3.4
67.05484	12.3
68.52631	3.3
69.03412	9.1
69.07061	5.2
71.04977	4.9
71.08614	4.9
79.05473	24.3
81.03416	6.4
81.07043	24.6
81.15611	3.3
83.04962	13.8
85.02889	11.9
85.06525	4.6
88.11246	6.5
91.05466	64.3
93.07039	31.8
95.04995	21.4
95.08583	10.4
97.06486	7.4
99.04452	6.1
100.11252	10.6
103.05480	5.2
105.01842	5.8
105.07018	100.0
107.04919	7.2
107.08572	17.0
109.02857	4.0
109.06474	8.4
109.10133	4.5
111.04440	6.0
115.05421	20.4
117.07006	46.4
119.08578	31.2
121.06486	7.1
121.10133	10.3
123.07990	3.7
127.03834	6.7
128.06226	27.4
129.06992	52.1
130.07748	12.9
131.08556	73.8
133.06473	12.9
133.10120	36.7
135.08038	9.5
135.11710	4.8
141.06941	7.6
142.07741	16.3
143.08542	59.6
144.09247	3.6
145.06442	9.4
145.10104	99.2
147.08012	15.8
147.11685	9.1
149.09610	9.7
153.07019	6.9
155.08534	20.6
156.09309	9.9
157.10120	22.5
158.07254	5.8
159.11667	18.7
161.09583	22.3
161.13251	10.6
163.11159	10.0
165.06982	8.1
169.10110	5.7
170.15363	20.0
171.08086	6.4
171.11700	26.6
171.15707	7.9
173.09599	78.2
173.13139	3.8
175.11124	10.6
175.14848	4.9
180.09338	5.6
182.23903	3.4
185.13242	24.1
187.11176	9.5
189.12753	18.4
191.10637	29.0
195.11694	8.4
198.14856	14.2
201.12704	7.1
203.14334	15.6
210.14769	4.8
213.12708	19.1
219.13748	5.1
224.75795	3.6
231.13708	27.0
249.14758	12.3
294.20590	12.0
312.21744	5.7
314.27954	7.7
315.28415	5.5
353.19748	3.6
437.45425	3.5
511.42072	7.5
512.42285	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	512.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.8
57.07071	2.5
65.37032	1.0
67.05509	5.4
67.67107	1.0
68.54593	1.0
69.07050	9.4
70.12324	2.9
71.04975	2.0
71.08617	1.1
74.11633	1.0
79.05476	9.0
81.07037	11.2
83.04971	37.4
85.06522	1.8
91.05464	26.5
93.07033	15.9
95.04932	1.8
95.08588	10.6
97.06497	2.0
99.04458	1.7
101.06030	1.8
105.07015	34.9
106.07325	1.2
107.08573	15.1
109.06532	1.5
109.10136	7.5
115.05446	1.3
117.07008	17.5
119.08564	18.6
121.10155	8.7
128.06183	2.4
129.06990	6.6
130.07758	6.1
131.08548	21.6
131.09459	1.8
133.10117	31.8
135.11703	1.8
142.07747	1.4
143.07021	1.8
143.08546	8.7
144.09335	2.2
144.15578	1.0
145.10104	67.8
146.10466	1.4
146.45233	1.1
147.11639	6.1
149.09584	1.2
149.13194	3.0
157.10103	6.6
158.10902	1.1
159.11670	28.2
161.09576	6.3
161.13239	9.0
162.10036	1.0
163.11205	1.9
171.11754	1.8
173.13182	5.9
175.14847	1.5
177.12740	2.8
181.06389	1.2
183.10147	4.6
189.16356	6.7
199.14807	8.7
201.16351	100.0
202.16707	3.2
205.15883	1.8
217.15851	9.6
219.17357	5.6
235.16899	5.0
238.92101	1.3
246.24533	1.0
256.26297	1.9
283.26242	3.6
291.89197	1.2
314.94269	1.1
512.50201	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	512.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.8
57.07071	2.5
65.37032	1.0
67.05509	5.4
67.67107	1.0
68.54593	1.0
69.07050	9.4
70.12324	2.9
71.04975	2.0
71.08617	1.1
74.11633	1.0
79.05476	9.0
81.07037	11.2
83.04971	37.4
85.06522	1.8
91.05464	26.5
93.07033	15.9
95.04932	1.8
95.08588	10.6
97.06497	2.0
99.04458	1.7
101.06030	1.8
105.07015	34.9
106.07325	1.2
107.08573	15.1
109.06532	1.5
109.10136	7.5
115.05446	1.3
117.07008	17.5
119.08564	18.6
121.10155	8.7
128.06183	2.4
129.06990	6.6
130.07758	6.1
131.08548	21.6
131.09459	1.8
133.10117	31.8
135.11703	1.8
142.07747	1.4
143.07021	1.8
143.08546	8.7
144.09335	2.2
144.15578	1.0
145.10104	67.8
146.10466	1.4
146.45233	1.1
147.11639	6.1
149.09584	1.2
149.13194	3.0
157.10103	6.6
158.10902	1.1
159.11670	28.2
161.09576	6.3
161.13239	9.0
162.10036	1.0
163.11205	1.9
171.11754	1.8
173.13182	5.9
175.14847	1.5
177.12740	2.8
181.06389	1.2
183.10147	4.6
189.16356	6.7
199.14807	8.7
201.16351	100.0
202.16707	3.2
205.15883	1.8
217.15851	9.6
219.17357	5.6
235.16899	5.0
238.92101	1.3
246.24533	1.0
256.26297	1.9
283.26242	3.6
291.89197	1.2
314.94269	1.1
512.50201	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	512.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.7
57.07071	17.3
67.05503	5.6
69.07064	6.0
69.43562	7.0
70.06583	12.4
71.08623	11.5
73.02907	1.8
75.17220	1.3
79.05489	2.8
81.07032	9.6
83.04962	10.0
83.08617	2.8
85.10173	5.5
88.07623	15.7
89.06020	16.3
90.96111	1.5
91.05459	5.1
91.35581	1.6
93.07014	4.0
95.08579	16.1
97.10201	1.6
102.09179	14.8
105.07016	24.6
107.08582	11.0
109.10119	9.1
119.08572	17.3
121.10139	6.1
123.11710	4.0
133.08577	11.6
133.10114	11.6
137.74101	1.5
147.11659	38.2
161.12102	1.9
161.13208	10.1
163.14828	3.6
175.14792	2.1
177.11281	2.0
183.10104	2.3
203.17921	46.0
204.18304	2.2
215.77946	1.6
221.19023	2.3
228.23250	6.5
230.88866	1.8
256.26321	41.2
274.27356	3.5
283.26248	48.3
296.56366	1.9
311.29367	3.4
327.20059	4.5
333.68314	1.7
512.50281	100.0
513.50934	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	512.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88062	1.6
55.05506	9.5
57.07067	11.5
67.05510	8.8
67.43325	1.0
68.40016	1.1
69.07056	6.0
69.13269	8.7
70.06587	7.3
71.08620	4.7
72.86019	1.5
79.05466	7.0
81.07055	20.6
83.04970	25.0
83.08625	3.8
85.06537	1.4
85.10174	2.5
85.60445	1.4
88.07638	8.7
89.06040	8.3
91.05478	12.6
93.07040	11.2
95.08603	26.1
102.09189	6.4
105.07019	51.6
105.07738	2.4
107.08586	20.7
109.10148	19.0
116.89902	1.5
119.08568	35.3
121.10135	12.0
123.11726	7.2
133.08592	4.4
133.10114	23.3
135.11682	4.4
137.05554	1.5
143.07037	4.0
145.10123	2.8
147.11676	82.5
148.11975	1.6
149.13255	2.7
151.11214	1.8
161.13232	19.5
163.14804	10.4
170.35268	1.3
175.14777	3.1
179.49457	1.2
183.10155	3.7
203.17929	100.0
204.18219	2.0
221.19023	6.0
228.23073	2.5
256.26334	20.7
274.27487	2.6
283.26285	22.8
311.29550	2.0
327.19986	1.9
512.35840	5.8
512.50311	49.0
513.50134	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42495	0.4
51.55136	0.4
52.74324	0.4
55.05518	1.7
57.07072	12.0
58.06602	1.0
63.83601	0.5
67.05508	1.4
69.07072	1.7
69.99213	1.3
70.06585	8.8
71.08630	5.5
73.02924	1.2
81.07065	1.7
83.08640	1.6
85.10179	2.4
88.07628	12.3
89.06019	0.7
92.87324	0.5
95.08622	2.3
97.10187	0.8
102.09168	8.6
109.10175	0.7
151.32487	0.5
228.23116	2.5
237.49339	0.5
246.24551	0.5
256.26337	33.2
257.26776	0.6
274.27341	3.1
283.26297	34.6
284.26688	0.9
287.83652	0.5
311.29428	2.6
343.77875	0.5
392.24216	0.5
458.38495	0.5
512.50354	100.0
513.50635	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80154	0.3
55.05499	0.9
57.07070	9.5
58.06602	1.3
59.48002	0.3
67.05495	1.1
68.76045	0.3
69.07069	1.6
69.15375	0.3
69.73768	0.4
69.74113	1.1
70.06586	7.6
71.08622	5.0
71.08987	0.4
71.84959	0.3
73.02911	1.1
73.63013	0.3
74.59700	0.3
81.07043	1.7
83.08618	1.1
85.10170	2.6
88.07622	11.7
89.06016	1.1
92.95461	0.3
95.08598	2.1
97.10197	0.6
98.04147	0.3
98.22752	0.6
102.09168	9.2
106.08658	0.6
109.10137	0.8
130.44414	0.3
133.08621	0.7
212.23802	0.4
212.80840	0.3
228.23203	3.7
246.24170	0.4
256.26331	37.2
257.26791	0.7
274.27362	2.6
283.26285	38.6
284.26730	0.8
311.29407	3.0
327.20239	0.3
411.38486	0.3
512.50330	100.0
513.50684	4.0
536.14832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.9312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	15.3
58.81001	10.4
70.23480	22.1
71.91933	13.5
97.63590	10.3
98.97572	100.0
101.52671	10.5
107.95968	10.4
116.98614	51.9
117.70419	10.1
134.99643	19.2
161.64758	11.5
172.94403	30.4
190.95380	28.4
209.68155	10.4
214.95418	32.6
216.98781	14.0
232.96498	47.8
250.97557	29.2
256.96475	21.9
274.97513	80.9
277.00812	13.9
290.95471	25.0
292.98557	51.8
294.09448	12.3
314.95435	23.9
324.65146	12.4
330.93057	12.7
332.96512	19.3
374.97699	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27515	0.3
58.42363	0.3
69.03423	0.5
69.15421	0.3
69.49095	1.0
69.49507	0.8
70.06578	0.7
81.03414	0.8
85.02876	0.4
91.05460	0.8
93.28365	0.4
97.02890	0.5
99.20805	0.3
102.30666	0.4
105.06975	0.4
105.38363	0.3
107.47089	0.3
107.62629	0.3
109.02833	0.4
109.46265	0.4
111.47488	0.3
121.02871	3.3
121.03743	0.5
124.07504	0.5
125.07919	0.4
126.26976	0.4
127.03912	0.8
127.39999	0.3
137.05948	1.3
139.03831	0.6
145.10208	0.4
147.04379	1.3
148.16673	0.4
152.07088	0.6
153.07382	0.5
163.04008	0.4
175.05672	0.5
177.05452	0.4
179.06985	0.7
181.04951	0.8
265.06976	0.7
283.08026	0.6
289.05154	0.4
302.36179	0.4
328.83685	0.4
465.58679	0.4
469.20325	0.4
495.17044	0.4
498.13553	0.6
513.15674	100.0
514.16162	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	513.1579
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
51.21472	0.2
85.02895	0.3
87.54298	0.2
107.04942	0.3
135.11711	0.4
177.41566	0.3
189.07347	0.5
237.85393	0.2
268.50623	0.2
273.79028	0.3
481.63702	0.3
513.15729	100.0
514.16040	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	513.1601
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
53.03936	0.8
53.16556	0.4
54.77689	0.3
55.01853	0.5
57.03424	0.5
57.20443	0.3
65.03940	4.9
67.05504	2.3
69.03420	1.9
71.05007	0.3
71.42153	0.4
77.03916	0.4
79.05472	0.4
81.03412	4.3
82.04200	2.3
85.02903	4.9
93.03394	1.2
95.04993	2.5
95.05551	0.5
97.02870	1.3
97.06528	1.4
99.04443	0.5
108.02073	1.1
109.02862	1.4
110.03646	3.1
111.04436	1.3
123.00795	0.6
123.04416	1.4
125.05957	1.4
127.03884	0.6
138.03099	1.4
139.03943	0.7
140.04684	5.6
142.02597	0.8
153.05453	3.0
155.07022	2.7
163.03970	0.5
171.06516	6.0
181.04944	100.0
182.05324	1.3
199.06015	4.4
261.07559	1.1
283.08160	0.8
312.58151	0.4
325.09146	4.2
343.10172	1.5
388.85666	0.4
513.13477	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	513.1736
Annotation	Trp-Trp-OH
Peak:m/z	Relative Intensity
50.20235	0.8
54.52716	0.8
65.04734	0.7
69.31376	4.3
72.69980	0.8
76.62016	0.9
98.97595	1.0
115.87404	0.8
116.98605	0.9
221.76884	0.8
265.11258	0.9
283.12115	1.2
284.09860	0.8
298.72760	1.0
334.35379	0.9
418.04132	0.9
427.16675	2.8
469.18216	17.8
513.17334	100.0
514.17908	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	513.1739
Annotation	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
50.09291	1.5
53.64899	1.5
56.96560	1.4
61.08781	1.1
63.38826	1.2
64.71827	1.3
69.50608	2.9
70.06590	3.0
82.93005	1.2
85.02934	2.4
98.97576	6.4
110.97617	1.4
116.98635	2.4
158.99609	1.4
176.86722	1.2
177.05426	3.3
245.09157	1.5
247.13290	3.7
265.11053	2.1
265.14297	3.3
283.12167	2.6
319.61859	1.3
325.13153	1.5
404.36270	1.3
427.16455	3.5
445.17242	5.8
469.18564	5.1
495.16129	4.8
513.18030	100.0
514.18671	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	513.1884
Annotation	Sorocenol B
Peak:m/z	Relative Intensity
52.01260	13.3
60.69616	13.7
61.96006	15.7
69.16551	100.0
75.76855	14.3
107.83743	15.7
135.79639	16.0
161.05013	16.9
191.68266	15.7
243.79070	15.5
400.06464	15.0
406.22687	15.8
513.19043	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.7
67.05472	0.6
69.30366	1.8
70.06606	1.8
78.71822	0.5
81.03438	0.7
85.02900	0.8
86.81738	0.5
109.02951	1.0
121.02853	5.1
124.07594	1.0
127.00066	0.7
135.51173	0.6
137.06027	2.3
139.03896	1.3
141.60841	0.5
147.04419	1.7
152.07101	1.3
163.04062	0.7
170.08156	0.7
181.05025	1.8
182.05345	0.6
185.04234	0.7
188.81055	0.7
203.05328	0.8
227.05313	1.1
245.06442	2.6
246.47736	0.6
247.13261	2.1
265.14069	2.7
271.04364	2.3
289.05212	5.9
409.18427	1.0
427.19403	5.5
451.19583	1.7
453.19434	1.0
469.20435	19.7
470.21051	0.7
495.18036	1.7
513.19598	100.0
514.19824	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	513.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01857	1.2
55.05505	0.8
57.03415	0.7
61.02900	0.5
65.03916	0.4
67.01854	0.8
67.05495	3.5
67.27950	0.3
69.03416	5.0
69.07057	1.2
70.23711	0.7
71.04956	1.2
73.02905	0.6
75.33278	0.4
75.43701	0.4
79.05458	1.5
81.03032	0.4
81.03412	5.2
81.07031	2.5
83.04960	1.2
84.11014	0.4
85.02891	6.4
85.06504	0.4
87.00820	2.7
89.05914	0.3
91.05457	3.3
93.07031	1.1
95.04984	1.9
95.08598	1.8
97.02880	2.7
99.04435	1.9
103.05455	0.9
105.01833	1.4
105.03365	0.4
105.07012	3.3
107.04881	0.6
107.08558	2.0
109.02863	10.4
109.06512	2.4
109.10137	4.8
111.04379	0.8
115.05438	3.1
117.07001	4.9
119.08566	2.1
121.06462	1.1
121.10139	0.9
123.04389	1.2
127.03898	5.1
128.06154	0.8
129.06967	1.3
131.04913	1.7
131.08549	3.0
133.06458	1.1
133.10114	0.7
135.04399	1.5
135.08011	2.9
137.05975	1.2
137.09607	4.0
139.03879	0.5
141.06985	0.7
142.07724	0.8
143.08540	1.2
145.04938	0.9
145.06461	8.0
145.10143	2.0
146.07245	0.6
147.04434	0.8
147.07999	1.0
147.11646	0.6
148.05168	0.6
149.05954	1.1
151.07539	0.5
153.07031	0.6
155.08553	1.5
157.06450	0.4
157.10034	1.0
158.07245	0.7
158.10889	0.5
159.02869	1.2
159.08028	4.2
159.11685	1.2
161.05954	9.2
161.09572	0.7
162.06633	0.4
163.03864	2.7
163.07503	4.4
165.05400	1.2
165.06891	0.4
167.08496	0.4
168.09329	1.9
169.09984	0.5
171.08025	1.2
172.08812	1.7
173.05960	14.4
173.09599	3.4
173.13234	1.6
174.06717	3.0
175.07536	2.8
177.05464	1.8
181.06427	0.6
183.11662	2.9
185.05957	0.8
185.09569	0.7
186.10352	0.9
187.07465	1.8
187.11142	2.1
189.09076	0.5
191.07002	71.8
192.07347	1.7
193.08458	0.4
196.08817	1.3
199.07439	2.6
199.11107	0.4
200.08240	2.9
201.09090	2.1
201.12695	9.0
202.13121	0.6
205.12270	0.5
211.11174	2.6
214.09854	5.9
217.05130	0.4
217.12199	3.0
219.13803	4.5
227.10603	0.4
229.12206	100.0
230.12486	3.5
231.04916	0.8
231.13785	0.6
247.13254	29.8
248.13663	1.1
265.14313	22.9
271.13397	0.5
513.19598	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40676	0.3
69.77020	1.0
71.17522	0.3
79.05489	0.5
82.57288	0.3
91.05486	0.4
98.22780	0.6
105.07012	0.7
107.04929	0.5
119.08665	0.4
121.06517	0.4
123.08041	0.4
135.04376	0.4
146.10510	0.4
149.09702	0.4
151.07516	4.9
154.14919	0.4
161.72693	0.3
163.07541	0.5
165.09137	0.5
167.07027	3.3
173.09573	0.4
177.09120	0.7
221.69643	0.4
343.64743	0.3
411.17929	1.3
453.18723	5.6
513.20892	100.0
514.13745	0.3
514.21124	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	513.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08089	1.8
53.03940	9.7
54.34595	1.9
55.01858	7.8
55.05504	13.1
57.03428	7.3
59.04994	2.5
61.02921	3.9
64.94991	1.9
67.05495	7.1
68.99776	4.7
69.03425	40.6
69.07055	9.1
69.21341	3.8
69.21735	6.8
71.04984	4.8
73.02908	5.9
78.78954	2.0
79.05483	5.7
81.03413	34.3
81.07045	10.3
83.04967	14.2
83.08595	4.0
85.02895	63.6
85.06561	2.8
87.00829	25.6
91.05471	11.8
93.07050	12.8
95.04958	34.7
95.08576	13.6
97.02892	18.2
97.06523	2.1
97.10154	2.2
98.23425	4.7
99.04443	15.0
101.06011	8.0
105.01861	20.3
105.07034	15.2
107.08614	14.1
109.02859	29.8
109.06502	15.0
109.10147	19.1
111.04440	5.6
117.01844	3.5
117.07020	3.9
119.04991	5.1
119.08573	13.8
121.06512	4.3
121.10122	11.1
123.08082	3.5
123.11683	5.8
127.03911	52.0
129.01860	4.6
131.08566	8.5
133.10092	9.4
135.08028	15.8
135.11690	10.4
137.05933	2.5
137.09592	3.7
143.08586	4.5
145.04918	17.6
145.10109	14.3
147.02846	4.6
147.11674	11.5
149.09605	8.2
151.07535	3.6
155.10577	1.9
159.02863	17.0
159.08055	6.1
159.11703	4.2
161.09621	5.1
161.13219	4.8
163.03868	2.6
163.07512	2.0
163.11136	15.8
165.12732	54.7
165.14034	3.6
171.11693	5.4
173.09595	3.8
177.09131	14.4
177.12830	3.8
177.16418	3.4
187.14833	10.6
189.12703	12.0
191.10551	11.5
205.12193	2.3
205.15858	17.6
213.03838	2.3
219.13681	1.9
229.15749	9.7
231.04968	17.1
236.28723	2.1
247.13243	4.3
247.16901	100.0
248.17299	4.6
249.06013	3.0
265.17975	78.6
472.04434	2.0
513.23962	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	25.8
56.24000	8.6
67.05508	29.0
69.07065	10.5
69.85307	15.5
69.85650	20.1
74.78371	11.5
75.91264	10.6
77.69398	10.1
79.05487	40.7
81.07047	32.6
83.04976	13.8
85.02919	18.8
91.05486	40.8
91.85145	10.7
93.07037	34.4
95.04966	30.0
95.08624	23.4
97.02930	14.5
98.23314	16.8
101.06001	46.5
105.07031	86.0
107.08624	30.1
109.10119	17.2
117.07022	25.7
119.08595	44.6
121.10159	17.5
123.08190	11.0
128.06274	10.6
129.07022	17.5
131.08577	40.7
133.06506	9.4
133.10127	60.2
135.11688	22.7
137.55081	9.5
143.08557	37.5
145.10106	80.2
147.11671	21.2
155.08463	16.5
157.10117	48.1
159.11736	37.5
161.09633	29.1
161.13280	13.2
173.09703	17.8
185.13263	15.8
189.16476	18.1
199.14844	44.3
217.15891	100.0
241.19559	21.4
259.20584	36.5
351.25153	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.05507	0.6
55.39904	0.6
57.07091	0.6
57.81528	0.5
67.05488	1.5
69.03408	0.8
69.07061	0.6
69.09499	3.6
71.04978	0.8
72.02090	0.5
79.05492	2.5
81.03394	1.3
81.07040	1.8
83.04954	0.9
85.02913	0.5
89.03908	6.9
91.05457	3.3
93.07034	0.5
95.04964	3.4
95.08584	1.2
97.06503	1.2
99.04452	0.9
105.04511	0.5
105.07032	1.3
107.04951	2.4
107.08567	0.8
109.02885	0.6
109.06530	0.6
109.10154	0.5
117.03365	7.8
117.06985	1.7
119.04912	1.5
119.08594	0.9
121.06488	0.7
127.03912	0.6
129.06999	0.7
131.08545	2.4
133.06479	0.6
133.10139	0.8
135.04408	19.1
135.08069	0.5
137.02332	9.9
137.03358	0.9
141.06917	0.6
143.08528	1.2
145.01692	0.8
145.02826	10.4
145.06465	0.9
145.10126	1.0
149.31804	0.5
151.56459	0.4
155.08447	0.6
157.10146	0.5
159.08023	1.1
159.11557	0.6
161.09639	0.7
163.03888	100.0
164.04155	1.3
173.09683	0.6
173.13385	0.7
177.09067	0.9
184.09140	0.5
187.06030	0.9
187.07529	2.5
199.11183	0.9
205.08597	1.4
213.16191	0.5
217.12245	1.6
222.83144	0.5
227.10710	0.8
231.17421	0.7
231.60078	0.5
245.11670	1.4
263.12766	2.1
279.40930	0.6
329.01443	0.6
339.09729	0.5
375.15366	1.4
389.13354	1.1
429.56439	0.6
513.25836	0.6
540.15948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	3.3
69.03411	4.3
69.38594	2.8
69.38985	2.0
79.99765	1.3
81.03399	8.5
85.02897	5.6
91.05474	4.3
94.04150	1.2
95.04955	6.1
97.02918	6.5
99.04449	1.9
109.02883	3.2
111.04449	1.6
119.04931	11.3
121.02855	100.0
122.03202	2.1
127.03907	3.9
137.05965	46.3
139.03897	21.2
139.04941	1.3
145.04973	1.8
147.04396	25.0
158.21968	1.1
176.06250	1.0
179.07008	18.5
197.08084	4.5
265.07016	16.9
283.08051	17.3
317.45871	1.1
514.16003	25.7
515.16028	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
57.03421	1.1
65.03928	1.1
69.03436	3.2
69.19562	0.8
70.06592	1.8
71.21746	1.2
81.03408	6.8
85.02909	4.2
85.43635	0.9
85.55109	0.9
95.04974	6.7
97.02889	5.8
97.55534	1.0
99.04465	1.0
109.02848	4.6
111.04467	1.4
114.99216	0.9
119.04912	1.3
121.02858	100.0
122.03217	1.5
127.03920	2.8
131.04802	1.0
134.09457	0.9
137.05959	2.8
137.81458	0.9
139.03896	16.5
147.04405	4.0
155.02504	1.7
171.12033	0.9
239.97469	1.1
265.07022	12.6
283.08060	10.4
308.94409	0.9
380.95023	0.9
454.18460	1.4
459.77365	0.9
506.53360	1.0
514.20410	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2143
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
53.03942	0.7
55.01854	0.7
57.03411	1.7
61.02901	1.4
61.05434	0.5
67.05507	1.1
69.03123	0.5
69.03423	5.8
69.50082	1.9
70.06551	0.9
71.04944	0.5
72.08110	0.5
73.02879	1.8
80.44056	0.5
81.03381	1.9
85.02416	0.5
85.02905	8.6
87.04456	1.1
91.03952	0.4
97.02874	3.9
98.22679	0.9
107.92375	0.5
109.02837	1.5
110.07145	0.8
116.15889	0.5
119.03526	1.8
121.02853	0.9
121.96760	0.5
124.03888	0.5
125.70598	0.4
127.03896	2.0
135.06642	1.0
136.06177	100.0
137.04564	1.1
137.06596	0.7
142.65865	0.5
145.04947	1.7
146.04646	0.6
148.06197	3.1
159.06641	2.0
161.87698	0.5
163.03871	0.7
173.08240	0.8
175.09787	1.2
178.07207	0.9
181.15627	0.5
185.08214	12.1
187.08504	1.1
187.50565	0.5
202.10866	23.4
220.11919	61.8
221.12146	0.8
268.10294	0.9
298.11432	0.5
352.16113	6.1
382.17169	65.2
383.17511	1.4
514.21588	30.2
515.21234	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05256	2.0
55.05508	28.0
57.07068	1.5
63.35850	1.4
67.05499	9.2
69.07060	9.4
69.21793	3.2
69.22185	3.6
71.04980	5.9
79.05496	8.6
81.07046	17.6
83.01081	1.4
83.04974	100.0
83.08618	3.2
84.05331	1.5
85.06542	3.6
86.02442	1.3
91.05472	15.1
93.07036	23.6
95.04959	4.4
95.08598	25.7
97.10142	1.5
99.04459	2.4
101.06032	1.3
105.07022	25.1
107.08595	17.9
109.06520	2.3
109.10143	11.3
117.07010	7.3
119.08577	25.0
121.10140	20.4
123.04144	1.3
123.08049	2.2
123.11698	6.3
129.06976	1.6
130.07770	1.8
131.08580	6.6
133.10106	12.0
135.08095	1.5
135.11676	8.2
136.77559	1.2
137.13170	1.6
139.11191	1.6
142.07808	2.6
142.49632	1.2
143.07031	7.0
144.09303	2.0
145.10109	14.2
146.10455	2.5
147.11703	6.3
149.09595	1.7
149.13268	6.0
151.11197	1.7
157.10097	2.5
159.11687	16.3
161.13263	18.5
163.11179	5.3
173.13258	1.9
175.11151	2.6
175.14835	2.8
183.10150	16.4
189.16405	1.8
191.17900	6.2
201.16359	14.4
201.61285	1.3
202.16742	2.6
203.17064	2.0
219.17455	7.0
223.09357	24.0
237.18533	6.8
255.13562	25.1
309.13370	1.2
315.15625	73.2
319.22641	4.7
515.26270	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	514.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82333	2.0
55.05501	11.5
64.47145	2.2
66.74474	2.0
67.05500	14.0
68.62192	2.1
69.07057	7.4
71.43701	2.4
73.06570	2.2
74.64058	2.1
79.05482	8.5
81.07043	14.4
83.04964	6.5
83.08624	1.9
85.06529	3.9
91.05491	10.7
91.05962	2.4
93.07033	13.8
95.08578	15.7
101.06008	15.1
105.07024	25.4
107.08583	11.6
108.53518	1.9
109.10146	6.2
117.07006	15.5
119.07021	2.7
119.08532	17.4
121.10133	7.1
129.06993	2.4
130.07776	5.2
131.08530	17.4
133.10107	8.5
135.11678	4.2
138.72713	2.0
143.08513	5.5
145.10112	90.7
147.11607	3.0
159.11673	26.9
161.13252	8.2
173.13249	7.9
182.59744	2.1
201.16359	100.0
219.17354	4.6
259.08234	2.2
261.22116	6.0
284.26620	2.0
327.64020	2.2
454.70789	2.3
457.23660	2.9
469.55701	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59511	1.2
55.05506	5.8
55.13905	1.2
67.05493	4.6
69.07061	5.3
69.10857	1.2
69.11173	9.0
79.05491	3.1
80.25291	1.1
81.07061	6.3
81.55073	1.5
83.04982	6.0
83.08599	2.1
85.06551	3.2
91.05470	9.2
93.07056	9.8
95.08597	9.3
97.26572	1.2
98.22105	1.4
101.06011	15.0
102.83344	1.2
105.07031	25.2
107.08580	11.1
109.10162	4.9
115.05415	1.4
117.07011	19.4
119.07065	2.6
119.08572	12.4
121.10158	4.8
130.07785	4.6
131.08575	16.1
133.10147	4.9
134.34370	1.2
135.11673	1.5
143.08548	2.8
144.09296	3.6
145.10117	83.8
146.10619	1.8
147.11761	1.4
157.10120	2.5
158.10927	2.1
159.11690	25.0
161.13196	9.0
163.11194	2.1
173.13249	5.3
198.38158	1.3
201.16371	100.0
202.16817	2.4
219.17404	5.0
243.25668	1.3
243.41998	1.3
257.26575	1.6
284.26776	1.6
384.54794	1.5
404.76526	1.4
426.10654	1.4
513.51141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05253	2.9
55.05505	34.8
57.03413	1.8
57.07062	5.6
59.04982	1.5
63.17601	1.6
67.05495	19.2
69.07062	13.4
71.04996	2.0
73.06450	1.6
77.03926	1.9
78.93845	1.5
79.05486	24.8
81.07049	38.0
83.04974	99.1
83.08627	3.0
85.06556	9.6
91.05473	45.7
93.07037	43.2
95.04957	5.4
95.08596	51.4
97.06527	2.7
99.08083	3.4
101.06001	6.7
105.07024	66.3
105.67043	1.7
107.04912	2.0
107.08592	33.1
109.06489	2.3
109.10155	20.5
111.08078	3.2
115.05420	2.5
116.06187	2.0
117.07006	25.2
119.06172	1.8
119.08569	42.8
121.09261	2.7
121.10133	50.9
123.08049	6.2
123.11679	2.7
125.09614	2.9
129.06972	3.6
130.07782	7.9
131.08554	45.9
133.10118	43.7
135.08110	2.3
135.11681	40.6
138.26323	1.7
143.07034	15.5
143.08556	3.3
144.09276	3.6
145.10112	92.3
146.10533	2.1
147.11687	10.5
149.09642	4.1
149.13261	5.6
154.94170	2.3
158.10966	2.2
159.11690	51.3
161.13245	31.3
163.11116	14.4
171.11722	2.0
172.95271	2.6
173.13240	8.9
175.14799	5.7
177.12778	2.5
183.10107	9.6
186.13972	11.2
189.16359	19.3
191.17911	11.9
201.16367	100.0
202.16634	3.1
219.17413	66.6
228.98033	1.7
236.36960	1.7
259.61371	2.1
262.04443	1.7
316.82120	1.6
317.17728	1.9
410.26498	1.6
453.16965	3.9
467.92615	1.9
471.18307	5.3
514.34827	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	514.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	38.8
57.07067	11.7
67.05492	10.9
69.07058	13.0
71.43250	5.6
79.05486	20.3
81.07061	36.3
83.04519	9.4
83.04974	99.2
83.08582	8.4
85.06519	10.7
91.05474	40.8
93.07034	48.2
95.08593	41.4
105.07023	64.2
107.08592	31.1
109.10146	19.6
117.07050	27.2
119.08558	37.1
121.10142	56.3
123.08028	6.9
124.06895	4.9
124.35966	5.4
130.07774	5.8
131.08543	42.6
133.10121	50.5
135.08055	4.6
135.11684	40.6
136.06587	5.3
143.07051	13.0
145.10110	100.0
147.11662	13.0
147.99905	5.0
148.95847	5.3
149.09621	7.4
159.11659	51.5
161.13213	18.5
163.11153	16.5
164.50928	5.6
173.13235	14.4
183.10216	7.5
186.14018	10.9
189.16370	15.0
191.17955	10.7
193.02785	6.1
201.16373	97.2
210.12029	7.3
215.05153	5.8
219.17412	55.7
238.90764	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	514.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.05505	31.9
57.03429	2.5
57.07057	4.6
65.16355	2.2
67.05504	10.7
69.07063	18.2
69.86546	7.1
73.06515	2.4
79.05492	9.6
81.07053	16.1
83.04971	100.0
83.08600	8.8
83.46225	2.1
85.06538	4.2
91.05480	24.5
93.07014	22.5
95.04971	2.8
95.08592	33.0
97.06519	6.1
97.10141	2.5
101.05993	8.8
105.07017	32.1
107.08592	37.9
109.06465	2.1
109.10143	14.8
111.08071	4.5
117.07016	12.0
119.08573	21.5
121.10126	35.2
123.08054	2.9
123.11665	4.7
125.09593	7.0
129.07002	3.9
130.07745	3.1
131.08548	17.7
133.10120	26.0
135.11693	23.7
143.06013	2.8
143.06981	13.5
144.09274	3.0
145.10121	33.9
147.11668	16.7
149.05928	4.8
149.09537	4.3
149.13251	4.1
157.10138	2.7
158.69778	2.1
159.11671	38.9
161.13228	13.9
163.11197	7.4
163.14836	4.2
167.10658	2.2
171.11548	2.5
173.13220	5.7
175.14804	25.9
177.16360	3.5
183.10098	7.7
189.16408	7.5
191.17923	43.7
199.81905	2.1
200.20123	5.3
201.14505	2.4
201.16368	46.0
219.17413	40.5
223.09448	6.1
237.18517	2.4
315.15610	30.4
329.06784	2.0
341.10056	3.1
514.27966	5.4
515.26221	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78656	1.6
53.80803	1.7
55.05506	32.3
56.96554	2.7
57.03444	2.5
57.07073	3.6
66.83672	1.9
67.05508	8.4
69.07063	17.6
71.04998	2.2
74.71226	1.9
74.72610	1.7
74.73078	2.3
77.67753	1.6
79.05490	11.6
81.07057	15.8
83.04975	100.0
83.08611	6.7
84.95345	2.0
85.06528	3.5
87.08131	2.2
89.90841	1.6
91.05474	24.9
93.07047	25.5
94.86202	1.9
95.04979	3.6
95.08598	24.2
97.06521	5.8
97.10181	3.4
101.06013	4.7
105.07024	33.8
105.07727	2.0
107.08584	29.2
109.06500	2.5
109.10164	13.9
111.08097	4.6
117.07010	7.9
119.08558	21.1
121.06510	2.1
121.10129	33.1
122.54304	1.8
123.08080	2.7
123.11735	6.3
125.09621	6.9
129.06964	2.6
131.08551	15.7
133.10118	29.9
135.11682	17.6
136.93071	2.0
143.07063	14.0
144.09338	3.0
145.10118	29.1
146.10829	2.2
147.11681	15.6
149.09625	5.1
149.13287	4.8
154.94220	8.8
157.10101	2.8
159.11679	34.7
161.13268	8.1
163.11174	5.6
163.14864	5.6
167.10712	4.9
172.68890	1.7
172.95253	10.3
173.13268	2.9
175.14793	18.1
177.12682	2.7
177.16338	2.8
179.98170	5.4
183.10191	9.8
189.16367	3.1
190.96292	5.4
191.17921	29.8
201.16367	48.5
210.96840	1.9
219.17413	35.7
221.56580	1.9
223.09503	2.9
228.97929	5.2
237.18417	3.5
315.15875	3.3
317.17828	4.6
360.33386	2.0
436.27869	2.0
449.43515	1.9
453.17203	12.0
471.18320	18.7
472.18210	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68473	0.9
59.07141	0.6
69.03383	0.7
70.39232	1.7
81.06551	0.7
83.89133	0.7
85.02855	1.6
91.05412	1.2
120.04051	0.7
127.03899	1.2
157.99690	1.8
159.00525	17.0
179.82007	0.8
185.04149	1.2
188.16695	0.7
227.05138	1.8
267.06198	1.3
267.13760	0.9
271.04211	3.1
297.48526	0.8
321.05792	5.9
346.28622	0.8
363.06815	22.6
389.04816	1.6
404.63907	1.0
407.05798	100.0
408.06403	3.4
429.11719	0.7
443.08258	0.9
460.10199	0.8
471.12332	5.7
515.11572	48.7
516.11951	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	515.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20122	1.0
53.57971	1.3
69.03455	1.5
70.54676	2.1
81.03415	1.4
85.02898	3.0
91.05476	4.2
92.05896	1.4
97.02879	2.7
109.02848	2.1
127.03896	1.7
131.08455	1.9
138.67000	1.1
145.04980	1.3
145.10115	1.1
159.02856	1.2
163.03880	2.1
169.04781	1.3
176.00763	1.4
185.04176	2.1
188.01591	1.2
197.78581	1.2
210.56580	1.2
224.84395	1.2
227.05241	2.8
234.02208	1.5
266.05469	6.0
267.06274	6.2
271.04193	5.7
285.12097	1.4
335.03418	2.5
336.47089	1.1
429.11560	5.0
429.21063	1.9
471.12564	51.4
472.13159	3.4
515.11517	100.0
516.11536	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	515.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34887	0.7
56.26033	0.7
69.07066	1.2
69.62309	2.9
73.35970	0.8
79.05522	1.1
81.07045	1.1
85.02905	1.2
91.05473	8.4
105.07033	2.0
106.06606	2.0
131.04686	2.2
133.06482	1.6
145.10165	1.0
159.00545	1.1
161.06004	2.5
163.03952	2.5
176.00665	1.0
177.05406	1.0
193.08607	2.4
223.07323	1.8
227.05338	4.3
227.07713	1.3
245.06438	2.4
249.05211	11.6
253.03140	2.0
267.06229	11.5
271.04248	12.0
289.05255	9.3
352.21854	0.9
363.06848	2.2
389.04819	2.7
407.05771	9.2
429.11484	4.3
471.12631	30.4
471.17737	1.1
515.11621	100.0
515.18713	4.8
515.28058	23.8
516.11877	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	515.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
55.01867	2.1
58.51054	0.3
62.49298	0.3
63.16526	0.3
67.26022	0.3
70.02678	0.3
70.03561	0.3
77.03918	0.5
79.05486	6.1
81.07110	0.4
89.03951	0.4
90.04681	1.0
91.05472	2.0
91.15774	0.3
95.04976	1.5
100.53567	0.3
102.97588	0.3
103.05461	9.2
105.04520	0.8
105.07016	58.8
106.07369	0.9
106.13684	0.3
107.04923	0.4
115.05447	11.8
118.04135	5.3
119.04921	0.7
123.08115	0.3
130.04150	0.4
131.04910	5.8
132.05675	0.9
133.06474	57.0
134.06779	0.9
137.05933	0.7
143.04921	1.0
143.06013	6.6
147.04440	0.8
148.05154	1.6
149.05949	0.5
161.05956	100.0
162.06340	1.3
163.07500	2.9
176.04611	0.5
179.06882	0.3
184.04929	1.9
185.05728	0.8
191.07004	16.5
192.07304	0.5
193.08578	54.8
194.08893	1.2
215.06741	6.2
351.11981	0.9
387.15005	0.4
411.14102	14.6
412.14337	0.6
471.15933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01854	2.2
62.84653	0.6
69.76968	1.8
69.77299	0.5
77.03915	0.6
79.05491	7.4
90.04704	1.2
91.05466	3.1
95.04959	2.3
98.22744	1.0
99.32755	0.6
103.05458	9.5
105.07019	68.4
106.07350	0.8
110.50137	0.5
115.05448	13.9
115.06236	1.1
118.04135	6.0
119.04900	0.6
128.70154	0.6
131.04906	4.3
132.05676	1.3
133.06479	57.3
134.06749	0.7
136.10005	0.5
143.04942	0.9
143.06010	7.3
147.04436	0.7
148.05194	1.0
151.03908	3.1
161.05963	100.0
162.06343	1.4
163.07532	1.8
176.01808	0.6
184.04889	2.9
185.05687	1.3
191.07018	8.1
191.55344	0.6
193.08588	55.5
194.09013	0.9
215.06754	9.3
228.07625	1.1
247.11092	0.7
249.05220	1.7
259.09415	0.5
265.12177	1.7
267.06171	1.9
271.04297	2.0
289.05316	1.3
357.91394	0.6
407.05844	1.4
411.14120	24.5
412.14426	1.5
471.12112	3.8
515.11578	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	515.1733
Annotation	Phthalocyanine
Peak:m/z	Relative Intensity
56.91507	0.4
64.14930	0.4
67.77541	0.5
69.88973	1.2
70.06575	1.0
98.23383	0.9
110.07200	0.7
121.06509	0.6
136.96712	0.5
156.07681	0.5
169.04736	0.7
191.70987	0.4
201.14214	0.5
251.62999	0.4
265.06955	0.8
381.11581	1.9
399.12592	4.3
497.16287	3.4
515.17358	100.0
516.17572	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	515.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38971	0.4
67.91536	0.4
69.51054	1.5
89.24944	0.4
90.79349	0.3
110.07159	0.7
110.25466	0.4
156.05920	0.4
163.03889	0.5
185.04192	0.5
215.08060	0.5
242.09361	0.5
265.06952	0.8
381.11758	2.2
399.12500	5.2
497.16330	4.0
515.17346	100.0
516.17712	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1731
Annotation	Phthalocyanine
Peak:m/z	Relative Intensity
51.67344	0.6
55.05505	1.4
64.68568	0.6
81.03414	1.8
87.00785	0.8
91.05470	2.6
95.04954	3.0
96.10300	0.6
97.06513	1.6
98.22736	1.9
98.89691	0.6
99.04435	0.9
107.08593	0.8
109.02852	0.8
117.07024	0.7
119.04913	2.5
119.08557	0.7
122.50795	0.7
125.02144	0.6
127.00003	0.7
133.06555	0.9
147.04381	5.4
161.05983	2.3
162.06198	0.7
163.03905	0.8
167.03162	1.0
175.03873	0.7
185.04176	9.2
187.71696	0.8
199.11137	0.7
200.11501	0.8
207.06470	2.6
266.84869	0.6
300.43866	0.8
309.09561	0.7
309.13123	2.4
327.14001	3.6
369.15164	0.9
388.95834	0.6
408.22342	0.6
409.18301	9.9
410.19223	0.7
411.16220	2.5
429.17386	4.9
453.17331	4.6
471.18311	60.9
472.18625	2.5
515.17279	100.0
516.17542	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	515.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01864	1.3
57.03430	0.7
57.21069	0.3
61.02908	0.7
68.99796	0.5
69.03424	4.3
71.04982	0.7
73.02901	0.6
79.05461	0.8
81.03413	4.7
81.07068	0.4
83.01333	0.7
83.04974	0.3
85.02414	0.5
85.02905	6.8
86.09676	0.5
87.00823	3.4
91.05470	1.2
93.07041	0.9
95.04967	0.6
97.02874	2.6
99.04449	1.3
104.69067	0.3
105.01855	1.4
105.07023	1.4
107.04955	0.5
107.08592	0.4
109.02866	3.5
109.06549	0.7
117.01849	0.6
119.08552	1.5
121.06489	0.9
121.10123	0.5
123.04392	0.5
127.03909	3.8
127.70740	0.3
129.07008	0.8
131.08556	0.8
133.06491	0.5
133.10110	0.9
137.05962	5.3
142.07808	2.3
143.08556	0.4
145.04948	1.5
145.06381	0.4
146.07211	0.5
147.02812	0.4
147.08051	0.9
147.11679	2.8
149.09612	3.1
157.10136	3.1
159.02928	1.7
159.08072	0.3
160.08813	0.8
161.05972	0.4
161.09604	1.0
165.05473	7.6
175.07579	1.5
175.11182	10.4
177.05461	0.6
185.09547	2.3
188.08267	1.6
193.04959	10.0
203.10657	100.0
204.10966	3.0
209.08041	1.0
221.11751	2.4
229.25984	0.3
231.10149	39.6
232.10472	1.2
249.11215	39.2
250.11522	1.1
255.61908	0.4
267.12262	31.3
268.12582	1.0
303.06415	0.4
443.07605	0.4
486.87720	0.4
486.95587	0.4
515.16571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.189
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
56.96566	2.4
67.14785	0.9
69.78426	1.7
69.78754	1.3
86.09734	1.1
90.45326	0.8
98.23470	1.7
98.97563	1.5
126.03928	0.9
127.03929	1.3
142.36731	0.9
143.08638	1.1
143.80023	0.9
149.79140	0.9
155.11775	22.1
157.56137	1.0
159.71530	1.0
163.03902	1.8
177.05489	1.1
199.02547	1.0
202.11505	0.9
231.13751	1.0
237.02798	2.5
267.15775	2.2
285.13721	2.3
429.17358	4.6
447.18750	1.6
471.19711	15.7
497.18201	1.9
515.18927	100.0
516.19427	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	515.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01863	4.3
55.05513	3.1
69.03431	18.0
69.07065	4.1
70.06590	5.1
73.02901	4.1
79.05447	3.6
81.03421	12.6
81.07038	4.2
83.04988	4.6
84.08134	62.7
85.02899	20.2
86.09684	4.6
87.00818	10.8
91.05480	11.0
93.07029	3.5
95.04951	3.3
95.08579	4.1
97.02878	6.6
97.06534	5.1
99.04443	4.6
105.01849	3.7
105.07027	6.5
107.04949	2.5
107.08589	4.8
109.02878	4.3
109.06560	3.6
117.01846	3.9
119.04926	7.8
119.08574	7.8
121.06438	2.6
123.04411	3.8
123.08056	4.6
127.03896	10.9
127.12310	18.5
129.07001	2.8
133.06471	4.8
133.10110	7.9
135.04402	4.0
137.05939	6.6
137.09589	4.7
139.07556	2.9
143.08531	5.2
145.04967	5.7
145.10143	4.1
147.04417	13.4
147.07965	3.2
149.09630	2.6
151.07526	7.7
151.11172	5.3
157.10085	3.8
159.02847	5.4
161.09598	7.5
161.13216	4.1
163.03926	10.9
163.07561	2.5
170.11000	2.7
171.07988	3.4
171.11852	2.6
175.03899	13.1
179.10666	18.6
185.09679	3.5
185.13210	4.9
189.09106	4.2
189.12660	2.7
191.10632	3.3
196.75700	2.9
201.12715	3.6
203.10658	7.9
203.14308	9.9
207.06502	22.9
207.10036	5.6
207.13762	7.4
213.12804	4.1
219.13734	11.0
221.15366	11.4
231.13776	45.6
249.14839	100.0
250.15256	3.5
267.15884	88.4
268.16318	3.2
314.12320	3.2
373.13837	5.7
374.14270	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	515.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.4
69.07037	1.1
79.05504	2.3
81.07060	4.1
83.01099	2.7
83.04958	1.9
85.06519	1.2
91.05479	5.3
92.92630	0.9
93.05386	0.8
93.07039	8.0
95.04963	7.0
95.08595	2.5
98.22852	3.9
98.23534	2.0
105.07015	8.2
107.08589	1.9
109.06520	1.5
112.67527	0.9
117.07010	6.0
119.08569	5.1
123.04183	3.1
129.07021	2.3
131.08574	3.8
133.10114	2.0
135.08055	1.8
141.06958	0.8
142.07751	3.8
143.08611	1.0
145.10095	3.9
147.07979	1.1
147.11693	4.7
157.10118	8.8
159.11703	1.5
173.09647	0.9
173.13361	1.9
175.11171	10.7
195.92522	1.0
202.16788	0.9
223.09389	64.4
224.09741	1.1
233.15422	1.3
255.13533	62.4
256.13928	1.8
288.22397	1.0
315.15622	100.0
316.15982	3.2
326.71329	0.8
328.34061	1.0
391.58029	0.8
481.99530	0.9
515.25598	11.2
525.17535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
57.35695	0.5
60.30027	0.7
67.05496	2.1
70.35909	1.4
77.92064	0.7
79.05488	2.6
81.07054	3.4
83.04985	1.1
91.05479	2.7
93.07037	2.0
95.04955	1.7
95.08574	1.7
97.06512	0.7
105.07020	1.9
106.40096	0.7
107.08601	1.8
109.10141	1.6
117.06995	1.4
119.08562	1.4
123.04176	2.2
129.06981	1.2
131.08536	1.9
133.10117	1.0
135.08023	0.8
135.11679	0.7
142.07768	0.9
143.08504	1.3
145.10127	2.1
147.75385	0.6
155.08534	1.3
155.99773	0.6
157.10103	1.6
159.11664	1.5
179.94754	0.6
187.14825	0.9
223.09396	73.0
224.09808	1.5
255.13628	2.4
315.15640	100.0
316.15976	2.5
356.18311	0.9
515.24054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79288	0.7
61.41413	0.8
61.50238	0.7
69.66512	2.1
93.19984	0.6
104.53434	0.8
113.78463	0.7
117.94283	0.8
163.55606	0.7
514.50427	1.2
515.31860	100.0
516.32513	3.9
537.86328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74866	0.7
57.07047	0.9
64.26552	0.8
67.05515	0.9
69.26295	4.0
79.05485	1.0
95.08630	0.7
102.02640	0.6
115.76725	0.8
121.31039	0.7
121.80300	0.7
128.65845	0.7
155.78699	0.7
194.61150	0.7
203.05273	1.0
396.09100	0.8
495.47345	0.8
514.50775	1.4
515.31848	100.0
516.32117	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.7
55.05491	26.3
57.03433	6.5
67.05499	81.4
68.04310	4.7
69.03432	7.5
69.07055	25.5
70.26616	11.6
79.05490	57.5
81.03409	7.4
81.07055	100.0
83.04977	28.5
83.08591	12.0
84.05300	9.2
91.05481	38.5
92.29859	4.5
93.07039	83.2
95.04974	10.0
95.08599	71.9
96.08929	7.2
96.65977	4.8
97.02890	9.0
97.06516	8.4
98.23368	5.2
105.07018	36.4
107.08584	45.5
109.06509	9.4
109.10145	38.2
117.06993	13.7
119.08558	25.2
121.10146	43.8
122.10448	4.4
123.11702	14.4
131.08565	30.3
133.10115	27.5
134.10466	7.5
135.11716	32.9
137.13300	5.3
145.10095	25.6
147.11671	21.0
149.13254	18.4
157.10126	5.4
159.11646	24.1
161.13251	11.4
163.14835	12.6
173.13252	17.4
175.14774	8.0
176.15208	5.9
180.37117	5.0
187.14803	12.8
201.16345	12.8
202.16675	9.2
219.17435	7.8
220.17630	6.6
223.09401	12.4
243.21004	24.3
261.22067	55.3
303.23129	6.9
315.15634	34.2
332.99121	4.8
335.25693	16.6
353.26788	11.1
353.50320	4.9
415.23495	4.9
515.33643	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	24.9
57.07064	6.2
61.40704	5.6
67.05496	89.5
69.03425	6.3
69.07059	16.5
70.50903	11.4
79.05482	60.4
81.07047	100.0
81.86669	5.1
83.08604	13.3
91.05466	35.1
93.07037	67.0
95.04947	7.8
95.08599	67.6
99.08035	6.2
105.07005	50.5
107.08575	39.4
109.10141	31.3
117.06987	12.1
119.08573	26.8
121.10151	35.5
123.11684	12.1
131.08554	36.1
132.08856	6.4
133.10101	21.5
135.11678	26.3
137.13193	9.0
143.08565	5.6
145.10144	33.4
146.10446	9.6
147.11667	15.5
149.13257	23.7
159.11713	30.4
160.12067	15.0
161.13232	20.8
162.13710	9.3
162.97659	19.7
163.14801	10.0
173.13264	13.6
177.16235	6.2
187.14685	5.7
201.16367	18.2
202.16710	21.5
205.15814	5.7
219.17459	14.3
220.17706	15.2
243.21078	23.3
261.22040	64.6
306.58578	6.0
307.59286	5.7
335.25760	17.8
347.93713	6.1
353.26553	9.0
473.19547	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	21.9
57.03428	7.6
65.03917	4.8
67.05154	7.4
67.05497	84.0
69.03418	4.7
69.06704	3.7
69.07053	19.7
79.05489	48.2
81.07051	100.0
83.04956	4.8
83.08606	9.0
85.02887	4.6
91.05476	25.0
93.07033	64.8
95.04974	10.2
95.08595	77.4
97.02877	3.7
105.07026	32.3
107.08582	39.5
109.06505	7.1
109.10150	36.2
111.08033	6.1
116.27773	4.6
117.07013	11.9
119.08546	25.5
121.10127	38.2
122.13390	3.6
123.08009	3.6
123.11702	15.6
125.09673	4.7
131.08580	21.9
133.10115	17.0
135.11662	30.8
137.13261	4.0
138.23077	4.5
145.10103	25.4
146.10449	9.2
147.08110	4.0
147.11687	11.5
149.13243	18.9
159.11674	14.5
161.13261	11.5
162.97646	8.1
163.14803	9.9
173.13232	18.1
187.14824	9.1
201.16393	14.3
202.16713	16.9
243.21127	19.1
261.22116	68.0
269.09918	4.7
280.14890	5.6
335.25809	21.1
353.26901	8.9
373.12473	4.6
411.33984	4.4
434.45108	4.6
515.30804	6.9
522.60596	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	515.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
52.60186	1.3
53.03924	2.6
53.85985	1.0
55.01866	3.6
55.05505	20.1
57.03431	8.2
57.07071	2.7
65.03940	3.9
67.05497	60.4
69.07058	15.7
69.18447	6.2
71.01347	3.3
71.04987	4.2
72.83111	1.0
77.03912	2.0
78.79502	1.0
79.05485	51.9
81.03422	2.0
81.07050	41.6
83.04970	10.4
83.08598	7.4
85.06550	2.9
91.05472	32.0
93.07033	57.8
95.04953	9.4
95.08603	26.4
97.06531	8.3
97.10152	8.7
99.08102	1.7
103.05487	1.4
105.04505	2.6
105.07015	19.5
107.04923	1.5
107.08584	33.6
109.06542	1.7
109.10141	11.8
111.08074	3.1
115.05478	1.5
117.06999	11.2
119.08566	15.2
121.10136	21.0
123.08029	1.4
123.11676	1.5
125.09660	3.2
128.06258	1.4
129.07034	3.7
131.08559	13.0
133.10136	11.6
135.08163	1.2
135.11681	42.4
141.06961	2.0
143.08554	4.4
145.10126	13.2
147.11652	6.1
149.13261	4.8
153.12738	6.3
155.08588	2.6
157.10143	3.1
159.11673	7.3
161.13301	5.0
163.11203	5.0
163.14836	1.9
169.10117	2.1
171.11732	3.9
173.13260	5.0
175.14830	1.5
181.12189	7.0
183.11658	1.9
185.13243	2.9
187.14781	2.7
195.11751	1.3
199.13200	1.9
199.14810	2.6
201.16312	1.2
213.16435	1.8
243.21065	2.0
261.22076	8.5
317.24832	2.3
405.31436	2.4
423.32684	6.4
441.33655	2.2
497.36044	2.6
515.37292	100.0
516.37695	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	516.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
61.37975	0.1
69.03414	0.3
69.16417	0.2
69.16827	0.5
77.03911	0.3
79.05482	2.2
81.03424	0.3
84.45940	0.1
85.02876	0.5
89.03884	0.2
95.04958	0.9
96.04477	0.4
97.02850	0.6
98.23519	0.2
99.04456	0.2
105.04497	0.3
106.06539	100.0
107.06870	1.4
109.02852	0.5
118.06520	0.3
124.07572	0.2
127.03866	0.5
135.04356	0.1
145.02742	0.1
163.03902	0.6
175.19466	0.1
180.14091	0.1
193.79054	0.1
214.08611	0.3
336.10837	0.1
400.42865	0.1
491.95322	0.1
516.20709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	5.0
69.03418	12.4
69.86129	8.2
69.86464	5.6
79.82466	4.3
81.82176	3.7
84.00364	3.5
85.02896	15.6
94.06553	8.5
101.45317	3.6
108.07375	7.8
108.08105	92.5
118.06484	5.7
122.06020	23.7
123.06792	10.7
124.07580	15.0
124.36787	4.2
130.06509	78.4
132.08104	6.6
134.05989	13.4
136.07550	35.9
144.08096	6.7
146.05997	12.0
149.07092	7.4
150.04391	7.7
150.05495	100.0
152.07063	84.0
157.07610	9.8
159.09195	22.3
161.07147	12.3
162.07796	4.7
163.08641	66.8
181.09705	8.1
207.07639	19.0
219.07617	5.0
220.09903	4.4
221.10727	6.3
225.08754	8.7
247.12323	5.5
249.10196	48.8
251.11650	5.3
260.09030	4.1
261.10190	10.8
263.11795	38.7
267.11237	6.7
275.11761	75.1
276.11978	5.0
278.27332	4.3
279.11124	4.1
280.12204	6.0
281.12875	27.4
292.14435	52.9
293.12827	22.0
295.13852	4.3
310.15408	37.0
314.12271	12.6
343.14764	10.7
354.14313	11.5
387.13889	49.3
399.14017	6.9
399.92325	4.4
429.16333	7.1
443.18130	76.8
444.17880	4.4
455.17865	23.5
472.14307	7.7
472.20703	69.6
472.27399	5.5
473.21283	7.4
514.30511	4.2
516.13422	18.5
516.20038	86.0
517.14728	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	516.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46807	1.7
53.03944	14.6
54.01934	1.7
55.01869	11.4
55.05507	3.4
56.79987	1.6
57.03431	6.1
57.96937	1.4
61.02914	7.0
61.85818	1.7
67.05493	6.9
68.99774	8.3
69.03420	43.8
69.07087	2.0
69.12691	10.6
71.01313	2.0
71.04991	9.1
73.02910	11.3
79.05484	4.1
81.03409	53.3
81.07058	8.3
83.01339	2.9
83.04990	3.4
83.08584	1.9
85.02897	100.0
87.00819	42.3
87.04533	1.7
89.03882	2.0
91.03955	3.2
91.05466	7.7
93.07016	9.1
95.04960	2.8
95.08602	11.1
97.02882	30.7
97.06519	3.4
99.04449	23.5
104.19487	1.5
105.01157	2.3
105.01855	33.1
105.07018	15.0
106.06547	5.8
107.04951	1.6
107.08610	13.1
108.04456	2.3
109.02867	56.4
109.06508	6.3
109.10164	11.3
111.08100	3.0
117.01852	7.2
117.03332	1.7
117.07020	2.4
119.04976	2.1
119.08570	17.6
121.06484	3.4
121.10152	5.6
123.08095	4.6
126.05525	1.7
127.03905	79.3
128.06239	1.9
129.01845	6.7
129.07030	1.8
131.08556	12.9
131.51363	1.6
132.58728	1.6
133.10129	6.4
135.04420	5.1
135.08038	4.6
135.11676	6.5
137.09601	4.1
142.07767	2.0
143.08548	2.9
145.02850	5.5
145.04950	27.0
145.10121	18.1
147.02878	5.4
147.04324	1.9
147.11685	9.4
149.09587	2.2
155.08582	2.6
157.10170	4.4
159.02881	28.6
159.08000	3.1
159.11674	9.6
160.02174	2.3
161.09656	2.1
161.13217	3.5
163.03888	45.1
171.11670	5.9
173.09596	9.0
173.13242	11.3
175.11229	2.0
175.19318	1.6
178.03244	1.7
187.11133	4.3
187.14841	14.5
188.01624	12.8
189.12775	4.7
190.03233	1.6
191.10733	2.3
191.14301	5.1
197.13242	4.6
201.04156	2.7
205.15871	13.8
206.02629	2.6
215.14322	20.3
216.01141	3.9
218.08008	3.4
225.57765	1.9
231.05042	9.8
233.15323	30.2
234.02173	33.7
244.09680	4.2
251.16365	10.4
253.07867	1.5
271.04156	2.1
337.04828	4.3
377.59631	1.8
392.70859	1.9
401.14349	1.8
430.11160	1.6
472.12650	7.0
472.18686	5.0
484.98019	1.9
516.11334	13.5
516.17914	6.1
519.90765	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05510	8.2
57.03415	1.9
62.06179	2.1
65.03934	4.1
67.05495	11.6
69.03423	6.7
69.07059	7.6
70.73720	4.8
71.04977	2.4
77.03936	2.6
79.05482	12.5
81.03398	4.6
81.07047	29.1
83.04999	2.3
83.08616	7.1
85.02897	7.3
91.05474	66.6
93.07033	20.1
95.04960	5.0
95.08592	23.2
97.02890	8.3
99.04463	5.5
105.01859	2.4
105.07022	49.6
106.06584	3.2
107.04935	2.4
107.08582	18.2
109.06521	4.4
109.10157	11.4
116.06234	2.8
117.07005	14.8
119.04922	23.2
119.08570	38.2
121.10150	9.5
125.05975	6.6
127.03918	11.7
128.06177	2.5
129.06976	4.1
131.08549	39.3
133.06487	3.6
133.10120	19.6
135.11665	7.5
137.05957	46.5
143.08530	5.2
145.04968	10.3
145.10103	41.0
147.11667	11.4
149.05986	4.3
151.07535	10.0
153.09015	2.4
155.08553	3.1
157.10152	4.7
158.10890	3.6
159.08058	6.5
159.11696	37.5
161.13237	64.3
161.14517	4.1
163.07530	4.3
169.10135	4.8
173.09636	7.4
173.13237	2.8
177.09096	13.4
182.10997	3.7
187.14796	60.5
191.10681	4.9
197.13266	10.2
201.16476	2.7
205.15843	3.5
215.14294	59.4
231.04962	6.8
233.15334	100.0
234.15649	2.8
249.06183	5.2
405.77240	2.4
499.18585	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	516.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01883	4.3
55.05500	9.7
57.03426	3.5
61.02931	3.3
61.93076	2.0
65.03925	2.4
67.05492	12.9
67.23103	2.0
67.71232	1.9
69.03418	9.1
69.07071	11.1
69.14655	1.8
69.17332	4.6
69.17737	11.4
73.02902	3.4
74.01588	2.2
79.05486	15.5
81.03410	7.5
81.07052	29.8
83.08612	4.7
85.02900	22.1
87.00803	10.2
91.05476	74.9
93.07049	27.1
95.04948	6.2
95.08598	26.8
97.02862	10.2
97.10101	2.4
99.04409	3.6
103.05448	2.4
105.01856	24.5
105.07018	52.6
107.08582	24.2
109.02861	5.8
109.06529	3.6
109.10146	8.1
111.08092	2.3
115.05418	4.3
117.07018	14.8
119.04929	23.3
119.08569	38.5
121.06547	2.2
121.10146	12.8
123.07993	2.4
125.06016	2.8
127.03910	18.5
131.08557	40.9
133.06506	3.4
133.10117	19.8
135.08011	2.6
135.11655	7.6
137.05966	52.7
137.54799	2.1
139.07553	3.9
142.07741	2.3
143.08554	5.3
145.04961	9.3
145.06396	2.5
145.10115	45.5
147.11697	15.3
149.05969	4.0
149.24831	2.1
151.07520	13.4
155.08517	6.6
157.10141	4.6
159.02881	2.6
159.08032	9.8
159.11676	30.2
161.13245	68.8
163.07578	6.6
165.08986	3.2
167.08514	2.7
169.10052	4.8
171.11774	2.4
171.47435	2.7
173.09628	6.5
173.13248	3.9
177.09059	12.1
182.10898	5.0
185.13319	3.0
187.11177	3.0
187.14809	65.5
188.15129	3.1
191.10683	4.0
197.13223	12.8
205.15802	4.5
215.12364	3.8
215.14299	46.7
216.14754	2.3
231.04964	5.1
233.15335	100.0
249.06055	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	516.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92506	2.5
53.03933	10.1
55.01861	10.9
55.05495	5.7
55.62605	2.3
57.03422	7.2
61.02908	6.7
65.03917	2.6
67.05492	7.8
68.99780	3.6
69.03423	43.7
69.07050	5.7
70.69775	4.4
71.04989	6.1
73.02898	9.2
79.05485	11.5
80.29011	3.5
81.03410	49.3
81.07052	14.8
81.17690	2.9
83.05000	3.2
85.02893	100.0
87.00822	40.8
91.05468	20.3
93.07033	22.6
95.04946	7.4
95.08601	20.1
97.02872	26.4
97.06529	5.3
99.04459	17.7
105.01855	32.9
105.07016	33.9
106.06564	12.6
107.08578	16.7
109.02869	44.9
109.06487	7.7
109.10145	7.1
111.08136	3.5
111.17493	2.5
117.01817	5.1
117.06997	11.5
119.08571	33.7
121.06475	9.7
121.10125	11.3
123.08058	7.9
127.03902	64.9
129.01836	4.0
129.07002	4.3
130.07782	4.4
131.08562	42.0
133.06441	3.7
133.10133	8.4
135.08025	10.7
137.09584	5.5
142.07735	5.8
143.08543	9.6
145.04955	13.2
145.06552	3.6
145.10100	40.4
147.02779	2.8
147.08070	3.6
147.11668	10.9
149.09581	6.1
153.09062	2.5
155.08569	8.2
156.09314	7.9
157.10107	23.0
159.02878	23.7
159.08017	5.7
159.11688	19.6
161.09601	5.2
163.03893	4.7
169.10242	3.0
171.11685	13.6
173.09593	14.6
173.13235	48.1
175.11108	15.6
177.09114	6.3
178.39323	2.4
178.98506	2.5
182.10924	3.0
187.14803	32.3
188.15172	2.8
191.10637	7.4
191.14261	5.0
193.12195	4.3
197.13167	14.2
203.14302	4.3
205.15875	7.1
215.14308	41.2
231.04913	9.9
233.13037	5.2
233.15340	90.6
241.56401	2.9
251.16422	26.4
274.51343	2.8
312.06497	3.2
516.11322	4.4
516.18390	4.8
517.26099	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	516.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19729	2.2
53.03938	5.9
54.28786	1.7
55.01855	6.1
55.05503	3.7
57.03419	4.7
61.02896	3.4
67.05494	6.4
69.03420	22.7
71.04991	2.9
73.02904	3.6
79.05495	4.8
81.03410	20.1
81.07046	8.0
83.04968	5.0
85.02893	58.8
87.00826	27.4
91.05468	7.6
93.07037	11.9
95.04961	2.7
95.08603	26.6
97.02892	26.6
97.06556	2.5
99.04446	8.0
100.11227	2.8
105.01168	2.2
105.01855	33.6
105.07027	13.8
107.08578	13.4
109.02865	22.1
109.10141	7.3
111.08090	2.2
117.07021	10.7
119.08568	26.6
121.06427	2.9
121.10124	8.7
123.08056	8.3
123.11686	3.7
127.03907	38.5
127.61755	2.4
128.91658	2.0
129.01849	3.6
129.77551	1.8
131.08530	19.4
133.10133	3.2
135.08041	6.0
137.09576	3.8
144.09308	2.5
145.04968	18.9
145.10100	20.0
149.09644	2.5
151.07610	2.3
157.10086	4.0
159.02914	9.0
159.11674	46.1
161.09575	4.5
161.13206	3.3
163.07588	3.7
173.09648	3.6
173.13263	3.2
177.09105	13.5
187.14792	44.9
189.03951	2.4
191.10715	2.7
191.14296	2.6
199.19949	2.1
205.15823	9.8
213.03923	6.0
215.14282	7.4
231.05011	11.8
233.15338	100.0
234.15872	2.5
238.94058	2.1
249.05943	3.4
251.16411	60.0
294.05112	2.6
341.17401	4.5
504.97058	2.2
517.17004	3.3
517.37140	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29967	0.8
53.03952	1.7
55.05511	1.5
57.03430	1.2
60.79630	0.8
61.02934	1.0
67.05505	1.4
69.03422	4.5
69.19125	1.7
69.19534	3.8
71.04996	1.5
79.05489	1.8
81.03420	3.6
81.07056	5.0
83.04996	2.6
85.02906	11.3
87.00819	5.3
91.05492	3.3
93.07055	5.5
95.04987	1.6
95.08615	4.5
97.02893	5.3
97.06540	1.8
98.23496	2.0
99.04458	1.1
104.99268	1.3
105.01856	7.9
105.07014	7.9
107.08577	12.8
109.02876	6.5
109.10150	1.5
117.07024	7.4
119.04944	1.7
119.08565	5.0
121.10154	2.0
127.03915	11.6
129.07065	1.5
131.08565	11.3
133.10133	4.0
135.08078	2.0
135.11772	1.1
137.05956	4.5
142.07779	2.6
143.08549	1.0
144.09354	2.9
145.04932	2.8
145.10115	13.7
147.04375	5.2
149.97757	0.9
153.09119	1.8
157.10135	21.0
157.11391	1.5
159.11688	100.0
160.12173	1.9
162.85652	0.9
173.09630	1.0
173.13229	1.1
177.09148	3.9
187.14796	28.7
191.10660	1.1
197.13258	1.8
201.16405	2.4
205.15833	2.2
210.54564	1.1
213.03967	2.1
215.14320	4.8
231.05054	4.8
233.15353	75.7
234.15724	1.4
249.06110	1.9
266.60596	0.9
286.76993	0.9
463.19507	1.4
515.35724	1.4
516.19189	2.5
516.35681	3.5
517.20160	1.6
541.16705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69161	24.3
68.90928	24.9
69.03434	22.0
69.09055	74.4
69.09486	100.0
81.07041	72.1
86.06909	21.0
90.48707	22.7
91.05484	31.1
95.08625	67.4
105.07024	61.9
107.08596	42.8
109.10155	39.3
119.08546	31.9
121.10154	28.3
125.09569	25.0
131.08525	24.7
147.11644	57.2
149.13214	27.9
159.11636	39.2
173.86075	23.7
227.96449	24.1
268.60977	24.9
308.85660	23.0
396.61261	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	517.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05513	1.2
57.07067	0.5
67.05508	0.7
69.03430	0.7
69.07059	0.5
69.60868	1.5
71.40529	0.3
79.05492	0.8
81.03390	0.8
81.07044	1.5
83.08624	0.8
84.04487	0.6
85.02901	1.2
86.09691	0.7
89.16601	0.4
91.05470	1.7
93.07030	1.4
95.01066	0.6
95.08587	1.2
97.02894	0.8
100.07598	0.5
100.11258	2.5
105.01871	0.7
105.07010	2.6
106.07365	0.7
107.08599	1.5
109.02826	0.5
109.10136	0.9
111.04408	0.4
112.51561	0.4
117.07008	0.9
119.08596	1.6
121.10120	1.1
127.03882	0.7
131.08575	1.7
132.08887	0.9
133.10080	0.7
137.05984	1.0
141.05095	0.5
143.08589	0.5
145.10150	2.3
146.10555	0.8
147.04399	1.2
147.11659	0.9
156.13844	1.3
159.11725	1.6
160.12054	0.4
161.13278	1.0
173.13243	0.6
182.15440	1.0
184.13408	1.0
199.05861	0.6
199.07561	1.5
201.16296	2.6
202.16687	1.0
210.14931	1.1
214.09973	0.9
217.88350	0.4
224.62645	0.4
227.05260	1.3
229.12236	1.3
233.15491	0.6
236.08124	0.5
243.04770	0.5
245.06354	1.4
251.10516	1.9
253.08557	0.7
253.11914	1.1
269.11459	4.8
278.36841	0.5
287.03854	0.7
297.10956	1.5
303.73795	0.4
431.16757	9.0
443.12695	0.6
445.18192	1.1
447.56247	0.5
473.17792	35.8
474.18109	1.3
499.17444	0.8
516.36011	1.3
517.16779	100.0
518.17084	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	517.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54824	0.5
58.68126	0.6
60.16022	0.6
62.71266	0.6
69.03481	1.0
69.17252	3.6
76.38647	0.5
79.73470	0.6
85.02996	1.3
86.09788	0.9
87.00957	0.7
105.01966	0.6
127.04002	1.0
189.05231	10.3
190.06027	4.4
194.09465	0.8
201.05273	2.9
203.06728	3.3
203.66216	0.6
216.07529	9.0
217.08267	3.4
219.06465	1.0
221.06111	0.8
234.08601	6.1
235.09450	1.0
249.05797	1.4
261.04761	0.6
261.07336	2.8
276.09689	13.6
277.05191	1.9
277.10358	0.8
295.06088	1.5
297.14874	1.1
320.08810	1.3
323.05637	1.1
368.92505	0.6
413.15625	5.8
431.16656	6.9
473.17807	100.0
474.17960	4.6
517.16736	24.7
517.31250	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1679
Annotation	Jasmolactone D
Peak:m/z	Relative Intensity
55.01857	0.6
55.05513	1.2
57.07067	0.5
67.05508	0.7
69.03430	0.7
69.07059	0.5
69.60868	1.5
71.40529	0.3
79.05492	0.8
81.03390	0.8
81.07044	1.5
83.08624	0.8
84.04487	0.6
85.02901	1.2
86.09691	0.7
89.16601	0.4
91.05470	1.7
93.07030	1.4
95.01066	0.6
95.08587	1.2
97.02894	0.8
100.07598	0.5
100.11258	2.5
105.01871	0.7
105.07010	2.6
106.07365	0.7
107.08599	1.5
109.02826	0.5
109.10136	0.9
111.04408	0.4
112.51561	0.4
117.07008	0.9
119.08596	1.6
121.10120	1.1
127.03882	0.7
131.08575	1.7
132.08887	0.9
133.10080	0.7
137.05984	1.0
141.05095	0.5
143.08589	0.5
145.10150	2.3
146.10555	0.8
147.04399	1.2
147.11659	0.9
156.13844	1.3
159.11725	1.6
160.12054	0.4
161.13278	1.0
173.13243	0.6
182.15440	1.0
184.13408	1.0
199.05861	0.6
199.07561	1.5
201.16296	2.6
202.16687	1.0
210.14931	1.1
214.09973	0.9
217.88350	0.4
224.62645	0.4
227.05260	1.3
229.12236	1.3
233.15491	0.6
236.08124	0.5
243.04770	0.5
245.06354	1.4
251.10516	1.9
253.08557	0.7
253.11914	1.1
269.11459	4.8
278.36841	0.5
287.03854	0.7
297.10956	1.5
303.73795	0.4
431.16757	9.0
443.12695	0.6
445.18192	1.1
447.56247	0.5
473.17792	35.8
474.18109	1.3
499.17444	0.8
516.36011	1.3
517.16779	100.0
518.17084	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	517.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
56.90860	0.5
60.98145	0.5
63.30175	0.5
67.05489	0.8
79.05493	1.4
81.07040	0.8
83.01105	0.9
83.04966	0.7
91.05476	4.0
93.07025	2.2
95.04951	2.4
95.08584	1.2
98.03213	0.6
105.07014	4.9
107.08604	0.9
115.05434	1.1
117.07024	3.2
119.08562	1.5
119.09409	0.6
121.10137	0.7
128.06206	0.9
129.06979	2.1
130.07750	1.4
131.08528	2.9
133.06485	1.2
133.10118	0.8
142.07837	0.6
143.08566	2.1
145.10089	3.5
147.08057	1.0
155.08536	1.4
157.10104	0.8
158.07213	0.8
173.09616	3.0
184.05191	0.6
209.07814	20.1
253.11946	0.9
271.13007	16.3
298.30978	0.7
331.15115	100.0
332.15448	3.1
517.23590	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	517.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.4
58.84258	0.7
62.09401	0.8
63.13439	0.7
63.42226	0.7
67.05493	2.8
69.07050	1.4
69.90279	1.7
69.90624	1.2
73.48931	0.8
79.05479	2.2
81.07043	4.0
83.04990	0.8
83.37780	0.8
85.06566	1.4
91.05459	4.9
93.07009	3.6
95.04919	1.6
95.08598	2.1
105.07010	11.1
107.08572	2.6
108.06615	0.7
109.10151	0.9
117.06995	3.9
119.08571	9.3
121.10124	2.1
131.08556	3.4
133.10078	2.4
139.03641	6.4
143.08440	0.9
145.10077	3.2
157.10098	0.8
159.11664	7.5
161.13220	5.2
201.16399	1.6
239.08876	100.0
240.09192	1.9
241.15561	6.5
241.72798	0.7
277.49860	1.0
301.17682	27.6
302.17917	1.5
316.16101	1.4
317.16321	1.1
338.40970	0.8
352.26804	0.8
517.27490	35.2
517.33099	9.4
518.27643	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
59.18638	0.4
62.98201	0.4
66.75363	0.3
67.05503	2.0
69.07050	1.0
79.05484	1.5
81.07064	2.2
86.36111	0.4
91.05486	2.6
93.07028	2.0
95.04979	0.5
95.08593	1.9
105.07025	3.0
107.08572	1.3
109.06476	0.5
109.10136	0.8
117.07004	1.9
119.08586	3.8
121.10123	0.5
129.06990	1.0
130.07791	0.4
131.08517	1.9
133.10136	1.0
135.11679	0.5
143.08559	0.5
144.09315	0.7
145.10141	1.1
147.11690	0.7
157.10167	1.0
159.11679	10.5
161.13237	0.6
168.79431	0.4
173.13225	0.5
177.12773	0.5
178.12787	0.4
183.06267	11.6
199.14960	0.6
217.15906	0.5
223.09401	1.1
257.15100	11.8
258.96295	0.4
270.49005	0.4
283.11487	100.0
284.11847	2.3
294.84207	0.4
368.93408	0.4
419.02121	0.4
517.27692	9.6
517.39227	2.0
518.27667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.0
67.05492	8.2
69.07077	3.2
69.11314	14.1
74.02167	2.1
75.64101	1.9
77.84263	1.9
78.67482	2.2
78.88260	1.9
79.05478	4.4
81.07057	5.7
83.04966	3.9
84.26623	2.1
91.05473	8.4
93.07041	6.0
95.03532	2.2
95.04939	2.0
98.22719	5.1
105.07038	13.0
107.08604	4.9
109.10126	2.5
117.06989	2.7
119.08543	10.7
121.10077	2.5
128.06178	2.6
129.07045	2.2
131.08508	4.6
133.10138	6.6
142.07791	2.7
143.08600	4.3
145.10127	2.1
157.10117	4.9
159.11639	3.1
161.13266	5.9
183.06252	5.0
199.14871	2.1
216.14648	2.0
223.09395	40.4
227.89702	2.1
239.06755	2.1
239.08881	13.5
257.15109	27.2
283.11597	4.8
301.17789	7.2
317.17212	100.0
326.11105	1.9
357.20279	8.8
457.25507	4.4
517.27478	76.5
517.32953	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.02379	1.5
53.03949	1.8
55.01856	1.7
55.05508	16.7
57.03431	5.8
57.07053	2.6
59.13803	1.6
59.19082	1.4
65.03919	1.6
67.05502	39.8
69.07050	15.0
69.23004	10.1
71.04990	2.3
79.05486	27.9
79.74072	1.6
81.07050	41.6
83.04940	2.3
83.08623	7.1
85.06567	2.6
91.05464	20.7
93.07035	32.6
95.01646	4.5
95.04967	3.8
95.08603	28.9
97.06506	4.0
97.10150	4.9
99.08084	2.5
99.49359	1.5
99.75488	1.7
105.07019	26.5
107.08587	24.6
109.06562	1.8
109.10147	16.6
111.08097	2.2
113.00037	1.7
113.94579	1.6
117.07020	7.2
119.08572	27.2
121.10110	17.2
123.11692	3.2
125.09620	1.8
129.07005	4.9
131.08551	20.4
133.10120	19.9
134.10454	1.8
135.08067	2.3
135.11711	9.5
143.08551	7.7
144.30505	1.7
145.06770	3.0
145.10104	17.4
147.04735	1.9
147.11665	15.1
149.13275	7.3
151.11206	1.9
155.08554	3.1
157.10110	7.9
159.11684	13.9
161.13263	9.1
163.11267	1.9
163.14844	4.6
169.10149	3.8
171.11737	6.6
173.13255	8.8
175.14870	5.6
183.11714	1.8
185.13324	6.0
187.14876	4.5
197.13409	1.7
199.14864	5.2
201.16310	3.8
207.56416	1.6
215.17923	2.0
220.59776	1.8
231.17589	2.7
241.17783	3.2
245.19023	2.4
259.20544	4.7
287.23801	3.2
331.26596	1.8
333.24182	2.3
405.29974	2.4
407.33093	4.4
425.34091	12.4
443.35117	5.0
448.62961	1.8
499.37872	16.8
517.38892	100.0
518.39404	5.7
522.17242	1.5
522.77405	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10412	0.7
53.03942	1.2
55.01859	1.8
55.23540	0.6
57.03419	2.1
61.02923	3.6
67.76685	0.6
69.03429	7.2
69.69005	1.4
69.69395	1.3
71.04969	1.2
73.02905	0.8
74.89913	0.6
81.03408	3.9
85.02897	30.4
91.03968	0.8
97.02882	10.6
98.22776	1.0
99.04430	2.8
103.05437	0.8
109.02899	3.2
121.02849	1.9
123.04406	2.3
127.03925	6.2
131.04897	1.8
135.04353	1.0
145.02888	1.3
145.04945	5.7
146.50624	0.7
147.04384	11.5
149.02335	5.1
149.05922	1.3
157.02887	0.8
158.54391	0.7
159.04378	1.3
161.05965	0.8
163.03905	12.7
175.03900	2.7
177.01807	5.0
177.04050	0.8
177.05470	2.6
180.08606	1.8
184.13696	0.7
187.03917	2.9
189.05484	1.8
191.03387	1.0
195.02753	0.7
201.05559	0.9
203.03368	100.0
204.03749	2.5
205.04959	8.0
213.05382	1.1
215.03337	5.6
217.04889	1.1
219.02792	1.5
229.04984	3.1
231.02850	12.8
231.06342	0.8
233.04387	7.0
247.02386	0.7
259.06079	1.2
261.03906	10.2
279.04950	20.3
291.04950	25.5
292.05325	1.2
303.05002	1.6
321.06061	8.6
339.07062	31.0
340.07437	0.8
356.09561	2.6
357.07999	0.9
384.45697	0.8
409.40680	0.7
460.78458	0.7
504.28424	1.0
518.15210	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.9
55.01858	2.2
57.03427	3.3
59.04559	1.8
68.99767	2.5
69.03413	15.7
70.46221	4.5
71.04986	4.1
73.02902	5.9
81.03406	32.6
85.02895	40.2
87.00816	26.0
91.05473	100.0
97.02879	31.5
99.04430	17.3
103.03924	7.4
105.01858	20.7
109.02865	71.7
127.03900	92.2
129.01779	4.6
130.01387	1.9
145.04938	24.1
145.06190	2.6
145.06400	2.2
147.02859	3.6
159.02905	13.3
163.06032	4.1
199.07495	4.5
213.03900	17.0
217.08582	4.3
231.04976	31.1
231.07111	3.5
245.35004	2.0
249.06003	6.5
273.06122	3.6
291.07071	10.3
357.08096	4.2
375.09174	8.0
393.10034	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	518.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.2
53.14915	3.2
55.01877	8.4
57.03426	6.0
65.20075	3.8
67.05491	7.0
69.03417	38.4
71.04986	4.5
73.02917	5.2
79.05489	6.3
81.03421	30.0
81.07051	11.7
85.02898	100.0
86.09695	3.4
87.00822	43.0
88.29745	3.3
89.82925	3.3
91.05484	14.8
93.07038	18.6
95.04961	7.0
95.08603	12.8
97.02889	43.2
98.23557	7.4
99.04462	10.9
105.01853	71.7
105.07021	48.0
106.06461	3.9
107.08607	12.3
109.02855	31.4
109.10152	6.4
117.06983	7.9
117.61978	4.0
119.08566	26.2
121.10158	3.6
123.08089	3.9
127.02937	4.7
127.03896	77.1
128.06226	9.4
129.06966	7.2
131.08543	26.3
133.10127	18.8
142.07764	17.0
143.08580	24.1
145.04942	38.6
145.10121	15.2
147.02846	6.0
147.11700	13.2
149.13255	5.7
151.77841	3.8
157.10104	26.4
159.02904	15.7
159.11673	20.4
161.09607	5.0
161.13303	4.6
163.03912	8.4
169.10236	4.2
171.11667	10.4
173.13264	15.4
177.12776	7.8
189.03964	3.9
189.16367	9.4
198.39391	3.5
199.14828	25.1
210.00699	3.6
217.15842	21.8
231.04985	35.2
235.16982	5.5
249.06108	8.7
284.09726	14.7
302.53925	5.7
425.38083	3.8
519.14709	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04868	2.0
51.54375	2.0
52.88639	2.1
53.03943	8.8
55.01863	8.0
55.05500	7.3
57.03437	5.8
61.02926	4.9
67.05495	7.9
68.99785	3.6
69.03425	36.3
69.07059	10.0
69.79104	4.3
71.04984	6.5
73.02914	7.2
79.05489	12.3
81.03414	23.3
81.07052	27.9
83.04990	2.7
85.02898	100.0
86.09693	3.8
87.00821	34.6
91.05470	28.0
93.07045	24.8
95.04974	6.4
95.08594	24.3
97.02894	30.3
98.23428	2.3
99.04463	14.6
100.11250	9.0
105.01859	54.8
105.07021	55.1
106.65353	2.1
107.08600	24.7
109.02869	38.6
109.06511	4.9
109.10128	6.5
111.08098	4.7
115.05447	2.1
117.01838	3.4
117.06994	16.2
119.08576	40.5
121.06516	4.7
121.10107	14.7
121.14911	2.1
123.08067	5.0
126.05527	2.6
127.03908	72.6
128.06197	4.9
129.01851	3.6
129.06987	6.2
130.07768	5.8
131.08562	28.7
133.10129	35.3
133.29063	2.4
134.01550	2.3
135.08049	4.0
135.11681	4.9
137.05959	11.8
139.11200	2.2
140.68602	2.1
141.07051	2.7
142.07770	9.8
143.08534	11.5
144.09331	9.6
145.04939	30.9
145.10075	14.2
147.02861	2.8
147.11673	12.6
149.13263	7.8
151.03900	3.1
151.11209	2.3
156.09341	3.4
157.10104	20.5
159.02869	15.5
159.11691	58.8
161.09599	3.5
161.13216	5.6
163.03937	2.8
167.06990	4.4
169.10139	2.8
171.11703	5.5
173.13266	6.3
175.14799	4.9
177.12773	13.4
187.14763	3.8
189.03888	3.5
189.16389	13.8
199.14796	19.6
205.15950	2.8
217.15901	20.1
231.04979	31.5
235.17033	3.9
249.06001	11.5
284.09735	13.0
350.75055	2.5
482.86124	2.7
536.49390	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.5
55.38481	1.1
60.13072	1.2
67.05505	4.7
69.03431	3.2
69.07062	4.2
69.39065	4.1
69.39479	2.2
79.05461	3.7
81.03397	1.9
81.07047	11.0
83.04968	3.7
83.08582	1.7
85.02887	11.3
87.00821	5.2
91.05472	10.7
93.07043	21.8
95.08594	7.4
97.02880	6.4
97.10184	1.8
105.01854	10.9
105.07023	36.8
107.08598	10.2
109.02880	2.9
109.10167	3.1
117.07052	1.8
119.08574	31.2
121.10159	5.7
125.09627	1.2
127.03901	9.4
128.83841	1.2
131.08574	2.7
133.10117	15.7
135.08051	1.5
135.11710	4.8
137.05969	4.8
138.95343	1.2
139.07524	15.0
145.04944	4.2
145.10114	6.8
147.11705	6.2
153.09090	3.6
157.10074	1.8
159.02858	1.9
159.11659	8.4
161.13248	100.0
162.13586	2.3
173.13251	2.5
173.63528	1.2
175.07440	1.5
179.10728	3.0
182.61835	1.4
189.16360	8.6
195.06873	1.3
199.14766	2.8
201.16367	4.1
217.15839	11.1
217.68326	1.3
218.16232	1.3
231.04967	1.6
235.16905	42.0
236.17287	1.5
253.17990	1.7
259.17020	1.4
296.95053	1.5
519.18335	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48978	4.1
51.44387	3.4
52.58770	4.0
53.03924	4.5
54.84351	3.2
55.01852	4.1
57.03430	6.5
64.70392	3.2
69.03429	21.8
69.55801	7.5
69.56205	13.5
76.02230	6.6
76.28305	3.9
79.05463	5.7
81.03423	19.3
81.07050	11.5
85.02893	46.6
87.00818	15.7
91.05478	11.9
93.07030	15.6
95.04917	5.2
95.08575	10.3
97.02898	24.7
98.22752	8.3
99.04475	5.8
105.01872	18.3
105.07037	21.3
107.08582	9.1
109.02882	17.6
116.04942	4.7
117.07026	3.7
119.08595	13.4
120.08099	5.1
126.87866	3.2
127.03908	32.1
130.39285	3.8
131.08577	12.6
133.10129	9.9
135.08002	4.1
136.06172	13.0
136.07556	8.4
142.07779	5.4
143.08527	6.5
144.04410	9.9
145.04948	15.1
145.10081	7.4
147.04399	5.7
147.11647	4.8
157.10132	8.7
159.02879	4.9
159.11682	22.3
164.57086	3.3
166.08612	10.4
172.03923	48.7
173.25406	3.9
177.12729	4.7
187.14761	3.9
189.16428	10.6
190.04959	8.9
199.14909	8.6
204.04590	5.5
204.06535	100.0
217.15802	10.1
231.05022	12.7
233.42697	3.7
266.60873	3.9
357.14240	5.8
375.87460	3.7
403.15717	4.2
438.18289	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	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05035	0.6
58.06323	0.2
58.06626	0.4
59.07130	0.1
59.07407	0.2
60.08157	6.9
67.05495	0.5
69.73033	0.2
69.73424	0.2
71.07364	3.4
79.05479	0.3
81.07035	0.5
83.97369	0.1
86.09694	33.5
87.10020	0.1
91.05460	0.2
92.62375	0.1
93.07036	0.3
95.08606	0.2
98.22655	0.2
98.98450	3.5
104.10730	3.2
105.07023	0.1
107.08560	0.1
124.99986	23.4
143.01022	0.2
162.90942	0.1
174.60248	0.1
184.07317	100.0
185.07683	0.9
207.58139	0.1
258.11011	0.2
301.19312	0.1
302.37656	0.1
335.25677	0.2
336.57544	0.1
500.31296	0.9
518.32324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
56.05030	1.4
57.03428	0.4
58.06571	1.5
59.07381	0.3
60.08159	17.9
61.37394	0.2
67.05501	2.6
69.07064	0.6
69.09370	0.2
69.18414	1.1
69.22374	0.2
69.63925	0.2
70.06580	0.2
70.13889	0.1
71.07366	7.2
71.13101	0.2
72.84518	0.2
79.05481	2.3
81.07050	2.3
83.08609	0.2
86.09697	51.9
87.10045	0.6
91.05461	1.1
93.07035	1.8
95.04976	0.3
95.08588	1.3
98.98456	5.2
104.10734	92.7
105.07011	0.4
105.11062	0.6
107.08588	0.8
109.10161	0.4
119.08660	0.4
121.10127	0.4
124.99991	29.9
131.08597	0.3
143.01086	0.3
163.01546	0.7
166.02567	0.2
181.02631	0.3
184.07321	100.0
185.07707	0.7
217.68935	0.2
221.58459	0.2
224.39604	0.2
244.88637	0.2
258.10986	1.4
283.11438	0.5
291.40152	0.2
335.25833	0.5
423.29370	0.2
441.23871	0.3
500.31320	8.0
501.31323	0.3
518.32361	21.1
519.32751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29627	23.4
67.05489	41.2
69.07052	35.9
70.61589	37.1
81.07055	99.0
82.99123	24.4
91.05434	29.4
93.07034	36.0
95.08611	100.0
99.26990	26.2
105.07006	57.1
107.08571	72.4
109.10129	55.2
110.04547	25.7
119.08605	46.5
121.10184	37.8
123.11787	24.3
133.10083	27.3
135.11696	37.1
147.11682	27.9
159.11685	31.3
184.47896	25.4
290.53235	34.1
312.47925	30.8
478.24890	30.2
528.12982	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	518.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.0
67.05505	36.7
69.07071	31.0
70.71316	10.0
71.05034	8.0
71.29040	6.2
79.05489	26.7
81.07045	100.0
81.07500	9.4
83.08591	7.9
83.59841	6.2
91.05492	28.1
93.07039	59.8
95.04987	7.7
95.08595	69.7
97.06527	7.5
98.47837	6.7
98.48628	6.9
102.14507	6.4
105.07024	38.0
107.08582	59.6
109.10160	39.7
110.57430	6.4
117.07001	9.5
119.08585	40.4
121.10157	34.3
123.11710	22.5
133.10132	21.2
135.11693	37.2
140.77252	7.6
145.10167	18.0
147.11725	20.5
149.13257	13.2
153.42795	8.2
159.11696	15.9
161.13269	16.4
177.16504	7.7
177.46191	6.0
222.06314	5.4
443.99133	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	519.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
53.03939	1.0
55.01869	0.3
63.02368	0.3
64.94978	0.3
65.03929	2.9
67.05506	0.8
77.03926	1.7
79.05503	0.5
81.03429	0.5
81.07053	0.7
81.63948	0.3
91.05469	18.8
93.03395	0.7
93.07052	2.0
95.04961	56.1
96.05286	0.9
103.05458	4.9
105.04510	3.2
105.07020	0.4
107.04948	1.0
108.02039	0.3
109.06490	1.5
111.04402	1.8
119.04932	51.4
120.05252	0.9
120.12508	0.3
121.06498	2.9
121.10097	0.3
123.04417	100.0
124.04749	1.2
125.05971	1.1
131.04909	1.2
134.43803	0.3
135.04442	0.5
137.05980	2.6
145.02800	0.6
147.04391	35.9
148.04738	0.7
151.03876	5.9
151.05003	0.8
153.05478	3.7
153.06746	0.6
157.02858	0.8
159.04382	0.8
161.06006	0.5
163.03972	0.7
165.05481	58.3
165.06956	6.6
166.05809	1.3
167.05406	0.3
169.06500	0.4
175.03836	0.4
177.05469	1.3
177.06932	0.5
178.07780	0.4
179.03513	0.4
181.06433	1.2
182.07253	1.2
184.50491	0.4
187.03867	4.1
192.05733	0.9
193.04900	0.6
193.06461	4.7
194.05708	0.4
194.07265	1.5
196.05121	0.4
197.05911	0.5
203.03387	7.8
205.06470	2.8
207.08009	0.4
209.06021	0.7
210.06734	7.1
211.07426	0.5
213.01776	3.3
217.19548	0.6
220.05142	3.4
221.05969	11.7
222.06712	2.5
223.04002	0.4
223.07510	0.9
224.04666	1.1
225.05421	0.6
225.09094	0.9
229.08582	0.6
231.02724	2.1
233.05846	1.9
234.06804	0.4
235.07507	1.4
237.05388	2.4
237.09119	1.0
238.06252	7.9
239.06915	1.3
248.04701	2.7
249.05449	15.3
250.06219	7.2
251.03456	0.9
251.06863	1.0
252.04184	3.0
253.04843	0.4
253.08516	2.8
254.09145	0.4
259.03830	1.9
260.04669	0.7
261.05511	0.7
262.06244	0.7
263.06979	6.3
264.07690	0.5
265.05042	1.3
265.08530	1.9
266.05710	11.6
267.06509	2.8
269.07980	1.7
269.10754	0.3
271.13055	0.8
276.04099	4.4
277.04941	20.2
278.05664	3.9
279.03409	0.5
279.06403	2.1
280.03647	1.3
280.07208	0.7
281.08044	5.8
282.08765	1.3
285.07593	1.2
289.04926	0.5
291.06497	3.0
292.07230	0.8
293.04419	1.6
293.08051	4.1
294.05197	18.5
295.02603	0.6
295.05960	10.2
299.06070	0.4
299.09137	1.0
304.03580	0.6
305.04416	3.2
306.05157	0.9
309.07535	38.6
310.07898	1.7
311.09009	2.7
319.05981	5.1
321.03986	0.5
322.04681	1.8
323.05435	0.4
327.08603	9.7
328.09006	0.5
337.07022	68.3
338.07346	2.4
339.08713	1.1
355.08063	2.7
475.19342	0.5
519.12335	1.0
519.18951	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	519.1472
Annotation	VENTURAMIDE B
Peak:m/z	Relative Intensity
52.46582	0.2
57.71368	0.2
59.20720	0.2
69.03387	0.2
70.06592	0.3
82.13395	0.2
85.02906	0.5
89.12069	0.2
97.02853	0.2
105.01869	0.3
105.07010	0.3
111.04431	0.3
117.03318	0.4
117.05433	0.3
124.38378	0.2
127.03889	0.3
137.05946	0.8
145.02847	0.8
163.03896	0.9
167.05531	0.4
177.05424	1.5
189.89023	0.2
265.04700	0.3
293.04401	0.3
295.05969	0.4
323.05450	0.3
357.05991	0.3
359.03204	0.3
392.61972	0.2
475.21567	0.6
501.13559	4.2
519.14642	100.0
520.14923	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	519.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02785	0.6
60.84184	0.7
65.03920	1.0
67.05512	0.7
69.18583	0.6
81.07056	1.2
85.02920	0.8
87.50111	0.5
91.05470	6.9
93.07051	0.8
93.71398	0.6
95.04342	0.9
95.04962	19.0
95.08635	1.2
98.22687	1.1
103.05492	1.4
107.04993	0.7
109.06511	0.7
111.04447	1.3
119.04935	17.9
119.05730	1.2
119.08535	0.7
121.10249	0.6
121.43837	0.6
123.04427	33.9
125.05968	0.8
137.05930	1.1
139.03922	0.9
145.06531	1.1
147.04402	11.5
151.03949	2.1
153.05594	1.1
165.05496	21.0
165.06972	2.5
175.03960	0.7
187.03931	2.2
193.06473	1.8
193.35437	0.6
203.03409	1.8
205.06491	0.9
210.06699	1.8
213.01811	0.9
213.08888	1.3
221.05997	4.1
222.06728	1.0
228.51176	0.7
231.02811	1.0
233.05991	0.8
235.20549	0.6
237.05525	1.0
238.06313	2.1
239.06915	1.0
239.10480	2.6
242.12904	0.9
247.90302	0.6
249.05423	5.0
250.06219	2.4
252.04070	1.0
253.08739	1.0
254.12709	3.4
255.09824	3.2
255.13602	3.6
263.07129	2.2
266.05676	4.0
267.06445	1.3
270.12216	1.3
271.04294	1.0
271.13025	19.5
276.04041	0.9
277.04926	7.1
278.05716	1.8
281.08093	2.5
282.08804	1.2
287.03723	1.0
293.04572	1.1
293.08093	1.5
294.05167	6.0
295.06076	4.4
299.09216	0.7
305.04431	1.0
309.07550	12.3
310.07739	0.8
311.09250	1.3
319.06091	1.5
322.04700	0.9
327.08594	2.5
337.07043	23.3
355.08163	0.9
433.18356	4.4
475.19348	20.1
519.18347	100.0
520.18793	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	519.1991
Annotation	Gossypol
Peak:m/z	Relative Intensity
55.83812	1.0
61.05352	1.1
69.28081	4.0
93.07038	1.1
98.22651	1.6
105.07036	1.2
163.04012	1.1
175.53439	1.1
217.17290	1.2
239.06783	100.0
299.06180	1.7
319.09314	10.2
419.14615	1.5
519.19897	51.7
520.20251	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	519.199
Annotation	Gossypol
Peak:m/z	Relative Intensity
56.48397	2.0
61.39235	1.9
69.15430	14.1
78.21252	1.8
79.05470	2.4
81.07070	2.6
82.53884	1.9
89.03909	2.8
91.05476	2.2
95.08572	2.2
99.66053	2.0
105.07030	3.4
107.08556	1.8
135.04404	4.0
139.88512	2.2
163.03882	15.2
167.05588	2.1
239.06769	55.0
239.09058	3.5
299.06076	4.0
309.28250	2.0
319.09360	100.0
419.15134	2.2
453.72110	2.1
509.15787	2.3
519.19757	88.7
520.19952	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	519.272
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81585	11.0
63.22816	10.1
66.18325	11.7
69.24416	60.5
98.22694	21.8
104.00095	10.7
109.87605	9.5
112.19112	11.2
118.05296	11.3
126.81815	9.7
179.68375	10.1
184.07384	17.0
245.35431	12.2
299.06000	13.0
299.08920	100.0
467.02017	12.4
519.27429	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56937	2.9
67.05500	3.6
69.07047	3.6
69.54198	3.1
73.46507	3.3
81.07051	7.4
92.47550	3.0
93.07053	4.1
95.08588	9.3
100.59412	3.1
100.95343	3.3
105.06983	5.7
107.08571	7.6
119.08543	6.4
121.10130	4.6
133.10071	4.1
147.11682	3.8
159.11743	3.9
221.15388	5.0
227.12701	4.4
299.05576	5.2
299.08884	86.9
303.19467	5.1
339.22784	3.8
519.27161	100.0
519.35156	7.0
520.27905	4.5
520.35101	7.6
538.72241	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	519.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38307	0.5
55.05499	0.9
59.91336	0.4
60.08154	1.9
65.56887	0.6
66.18279	0.4
67.05481	1.1
69.07061	1.1
69.32311	2.4
71.07345	0.7
74.60814	0.6
79.05479	1.4
81.07051	1.6
86.09687	4.9
87.10027	1.5
91.05464	2.2
93.07033	1.9
95.08600	1.1
98.23447	1.0
104.10727	8.3
105.07015	4.6
105.11058	1.8
107.08606	0.7
109.10139	0.8
112.60279	0.5
117.07014	2.3
119.08574	3.3
121.10065	0.7
123.04154	1.2
124.99976	3.9
131.08557	1.3
133.10106	1.7
145.10127	1.4
147.11659	0.5
159.11684	2.3
161.13275	1.6
181.89178	0.5
183.06265	19.7
184.07332	9.3
185.07646	2.2
223.09331	1.7
259.16666	7.4
283.11484	100.0
284.11816	2.1
501.31659	1.2
519.29132	45.6
520.29486	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	519.2929
Annotation	Segetalin G
Peak:m/z	Relative Intensity
55.05502	0.8
60.08157	2.0
60.83902	0.4
64.13605	0.4
67.05496	1.2
69.07066	0.8
71.04971	0.5
71.07381	0.7
79.05487	1.6
81.07053	7.5
86.09702	8.1
91.05486	1.3
93.07034	1.7
95.08594	2.0
95.90615	0.6
98.23492	1.2
98.98453	1.0
100.75229	0.4
104.10735	12.3
105.07021	2.1
107.08563	1.1
109.06477	0.4
119.08569	2.1
121.10123	0.7
123.04177	1.0
124.99989	3.7
131.08548	0.6
133.10144	0.9
137.13237	2.3
141.05269	0.7
159.11624	0.8
161.13255	1.5
183.06273	7.0
184.07333	14.0
223.09387	2.3
241.10472	10.1
241.15636	1.0
283.11490	10.3
301.17749	4.5
359.21921	5.9
459.27100	5.0
519.29248	100.0
520.29541	3.3
520.34991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
60.08157	2.0
60.83902	0.4
64.13605	0.4
67.05496	1.2
69.07066	0.8
71.04971	0.5
71.07381	0.7
79.05487	1.6
81.07053	7.5
86.09702	8.1
91.05486	1.3
93.07034	1.7
95.08594	2.0
95.90615	0.6
98.23492	1.2
98.98453	1.0
100.75229	0.4
104.10735	12.3
105.07021	2.1
107.08563	1.1
109.06477	0.4
119.08569	2.1
121.10123	0.7
123.04177	1.0
124.99989	3.7
131.08548	0.6
133.10144	0.9
137.13237	2.3
141.05269	0.7
159.11624	0.8
161.13255	1.5
183.06273	7.0
184.07333	14.0
223.09387	2.3
241.10472	10.1
241.15636	1.0
283.11490	10.3
301.17749	4.5
359.21921	5.9
459.27100	5.0
519.29248	100.0
520.29541	3.3
520.34991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.0
59.06492	0.4
60.08157	4.8
61.62507	0.4
67.05491	2.6
67.16203	0.4
69.07085	1.2
69.16184	2.7
71.04981	0.4
71.07394	1.7
73.04783	0.5
79.05492	2.1
81.07055	2.5
83.08629	0.4
84.86784	0.5
86.09701	12.7
86.10207	0.6
87.10023	2.2
91.05426	2.7
93.07021	2.7
95.04980	1.0
95.08633	1.9
97.02887	0.4
98.98472	1.3
104.10738	15.8
105.07016	3.3
105.11079	3.1
107.08606	1.5
109.10169	1.3
117.07050	1.8
119.08577	2.7
121.10176	0.6
123.04183	0.6
124.99998	9.5
130.07834	0.5
131.08563	1.1
133.10161	1.5
135.11786	0.5
142.03442	0.4
143.58263	0.5
145.10132	1.4
159.11670	2.4
160.55008	0.5
161.13281	1.7
163.03973	0.5
167.05641	0.7
183.06277	14.4
184.07332	22.4
185.07716	5.4
223.09389	2.2
259.16629	5.9
283.11493	100.0
284.11926	2.2
291.19513	0.7
297.91492	0.4
299.06241	0.8
318.62543	0.5
501.31607	1.3
519.29022	37.3
520.29547	1.1
549.82568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.0
56.68690	1.0
57.03408	1.1
67.05493	4.4
69.07065	3.1
69.63997	1.0
71.86929	0.9
73.04765	1.1
79.05465	1.8
81.07051	5.0
83.08620	1.3
91.05432	2.5
93.07032	3.0
95.08602	2.5
98.23491	2.5
98.33302	1.1
105.07032	3.1
107.08595	1.8
109.10142	2.2
119.04948	3.9
119.08545	3.0
121.10137	2.3
123.04243	1.1
133.10120	1.6
147.04390	17.3
159.11697	1.6
161.13232	2.9
165.05481	2.2
183.06276	14.6
205.10509	1.0
217.76230	1.1
223.09431	3.0
259.16650	3.8
270.22864	1.0
283.11496	100.0
284.11804	2.0
299.06195	2.1
325.47067	1.1
331.64633	1.1
344.97284	1.0
355.28391	3.5
519.29163	40.6
520.29279	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
57.03429	0.6
58.99607	0.4
63.02382	1.0
65.03954	0.9
67.05502	1.6
69.03432	1.0
69.07059	0.8
71.70486	0.4
72.08159	0.7
76.02197	0.5
78.04713	1.2
79.05507	0.7
81.03416	1.3
81.07056	2.9
83.04963	0.6
85.02898	2.5
86.09695	0.8
87.00821	0.9
89.03909	11.0
91.05464	2.0
93.03400	1.1
93.07039	2.1
95.04942	0.4
95.08608	1.6
97.02896	0.8
99.04437	0.4
105.01853	1.7
105.07021	2.7
106.04172	0.8
107.04958	1.7
107.08598	1.8
109.02866	0.7
109.10167	0.9
111.04444	3.0
116.01694	0.6
117.03371	30.5
117.06973	0.6
118.03719	0.4
119.04909	0.5
119.08567	1.6
121.10146	1.3
123.11650	0.7
127.03934	1.3
127.50887	0.4
131.08548	1.4
133.10127	1.7
134.03603	2.2
135.04395	4.5
135.11671	0.9
137.05956	1.3
139.03880	4.4
145.02832	61.4
145.10103	3.0
146.03163	1.2
147.04388	0.7
149.05952	9.2
159.11719	2.3
161.13240	1.8
163.03902	4.6
163.11171	0.5
165.06993	0.4
173.13252	0.6
175.14804	0.5
177.05449	100.0
178.05774	2.2
179.04883	0.5
181.04912	2.4
191.17842	0.6
193.06532	0.5
199.14767	0.5
201.16383	3.4
203.17845	0.5
210.71008	0.4
219.17389	2.5
221.05936	2.1
223.85669	0.4
225.05403	0.5
237.18483	1.0
239.07014	0.8
249.05438	1.8
267.06424	1.0
270.15222	0.5
277.04877	1.4
279.06387	0.7
281.04282	0.6
295.05988	4.1
323.05396	4.3
341.06430	0.5
373.18021	1.9
521.19202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70549	0.4
55.05484	0.7
63.02386	0.4
65.03928	0.6
67.05489	0.9
69.03419	1.1
69.07055	0.5
69.18414	1.8
71.04996	2.1
73.06532	0.4
74.88754	0.4
79.05505	0.5
81.03394	1.4
81.07050	2.5
83.08621	0.6
85.02888	1.2
85.73545	0.3
87.00829	0.5
89.03917	4.6
91.05470	1.8
93.07037	2.2
95.04984	0.6
95.08611	2.6
96.08292	0.3
97.06486	0.4
98.23565	0.5
99.08074	0.4
105.01849	0.6
105.07024	2.3
107.04885	0.6
107.08601	2.4
109.02856	0.8
109.10149	1.3
111.04423	0.7
117.03373	14.0
117.07005	0.3
119.04879	0.6
119.08564	1.2
121.10108	1.1
123.11713	0.9
124.68327	0.4
125.09629	1.6
127.03892	1.0
131.08556	0.6
133.10121	4.1
134.03636	0.9
135.04434	2.1
135.11671	0.6
139.03897	1.2
143.10651	2.4
145.02838	37.9
145.10071	1.4
146.03140	0.7
147.04424	2.7
147.11700	1.1
149.05957	4.6
149.13269	2.2
151.11253	0.4
159.11678	1.2
161.13254	0.7
163.03873	1.5
165.06979	0.4
165.12717	0.4
167.14301	5.8
177.05458	100.0
178.05875	2.0
181.04976	0.7
186.05536	0.4
189.09106	0.7
195.06471	1.1
201.16354	1.5
202.41861	0.4
219.17400	4.2
235.54779	0.4
237.18419	0.7
249.05527	0.6
277.05075	0.5
295.06039	1.3
321.09528	1.0
323.05457	1.4
339.10703	0.8
520.19366	0.4
521.20013	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.6
63.02367	0.4
65.03921	0.8
67.44632	0.5
69.03420	1.4
69.21164	1.5
69.21571	1.2
69.30508	0.4
71.04971	0.6
81.03405	3.1
84.05627	0.8
85.02889	2.1
89.03908	7.1
91.05463	2.0
93.03404	1.0
95.04933	1.1
97.02879	0.8
99.04452	0.4
103.05465	0.6
105.07070	0.5
106.04147	0.9
107.04939	1.5
109.02841	1.5
111.04434	2.2
117.03371	19.1
119.04952	3.0
120.04450	2.0
123.04401	4.2
126.01041	3.6
127.03907	0.9
134.03578	1.4
135.04399	4.0
136.07547	6.8
137.05963	1.6
139.01859	0.8
139.03893	4.3
145.02834	48.5
146.03200	0.6
146.07175	0.5
147.04408	1.9
149.05975	6.1
151.03908	0.6
154.02980	0.5
161.07082	0.9
163.03903	3.8
165.02122	0.9
165.05458	6.3
165.06950	1.1
166.04988	2.8
172.07474	0.8
173.08224	4.3
177.05452	100.0
178.05750	1.5
178.08708	0.6
181.04958	2.0
182.08093	8.9
189.07645	0.5
191.09271	0.9
195.06537	0.9
200.04228	0.5
207.04297	17.1
208.05006	1.8
209.05923	3.6
210.04268	4.1
210.06207	0.6
211.07698	0.5
221.05972	1.5
225.05347	1.6
249.05429	1.5
254.04355	4.9
267.06479	1.3
277.04904	1.3
277.87518	0.6
295.05911	3.7
321.09616	5.6
323.05484	4.0
339.10953	3.2
341.06549	1.2
429.11880	0.6
439.14529	1.0
473.10715	4.8
474.11154	1.1
509.39642	0.5
520.19885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01862	5.1
55.48450	1.1
57.03431	3.9
59.44987	1.0
61.02918	2.4
65.03940	1.5
65.14627	1.2
69.03428	12.5
69.80037	1.3
71.04980	2.1
73.02905	2.7
75.04453	1.6
81.03416	12.0
82.36662	1.4
85.02897	24.4
86.63584	1.2
87.00826	11.0
91.05476	3.5
93.03406	2.4
97.02879	9.2
99.04440	5.4
102.04659	1.7
103.05461	36.8
105.01859	5.9
105.07043	3.4
107.04962	3.6
109.02859	9.7
111.04444	6.9
117.01810	1.2
117.03356	2.2
119.04917	2.7
121.06454	1.9
123.04433	3.4
127.03902	21.3
130.04155	2.8
131.04916	100.0
132.05244	1.1
133.06502	2.6
135.04396	6.8
137.05969	5.9
138.06740	2.6
139.03918	10.6
145.02829	2.0
145.04945	5.9
145.13936	1.1
147.04393	3.4
148.05173	25.4
151.07594	1.7
157.06435	1.2
159.02902	6.0
161.05981	7.9
162.06790	3.4
163.03963	3.0
163.07535	76.0
165.06953	2.2
166.06279	3.0
173.76295	1.3
175.07518	2.3
177.05496	4.0
181.04968	6.9
181.08594	4.4
184.93759	1.1
191.03340	2.6
205.08537	2.1
219.10123	3.4
221.05984	5.6
231.05060	4.9
237.11221	31.8
249.05438	6.3
251.06853	1.5
255.12260	7.2
267.06534	1.7
277.04938	3.4
295.05984	12.5
305.04028	1.5
323.05521	15.8
520.16748	2.6
521.18433	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.2
55.94683	2.8
57.07067	2.7
65.03934	12.8
67.05489	10.9
69.03416	10.7
69.07044	5.4
71.04986	4.4
76.48337	2.5
79.05491	14.7
81.03416	8.6
81.07050	27.2
83.08590	5.9
85.02895	29.5
87.00819	11.1
89.03911	11.8
91.05468	23.7
93.03400	23.3
93.07039	18.1
95.08607	30.0
97.02872	9.3
97.06517	3.2
98.23470	7.9
99.04438	3.8
105.01862	19.5
105.07015	34.9
107.04943	26.6
107.08575	25.8
109.02869	8.2
109.06501	3.8
109.10147	19.1
111.04436	58.9
117.03380	7.3
117.07001	4.8
119.04939	3.7
119.08567	29.0
121.06455	5.2
121.10144	17.7
123.08115	4.2
123.11658	6.6
127.03866	16.6
129.06967	3.8
131.08551	14.8
133.10101	13.1
135.04408	66.4
135.08051	3.1
135.11671	8.4
137.02330	4.0
137.05960	5.5
139.03888	100.0
143.08488	2.6
145.02856	13.6
145.04951	6.7
145.10132	27.8
147.11671	10.6
149.09625	3.3
157.10120	3.6
159.11682	30.1
161.13255	33.1
163.03893	88.0
163.05290	4.4
163.11143	5.7
163.14775	9.0
165.07004	18.1
173.13298	6.1
174.13533	2.8
175.14832	6.0
177.05446	8.4
177.06947	3.0
181.04965	51.6
181.06429	4.9
189.16306	3.2
191.17981	6.5
193.06520	13.1
195.08058	3.5
197.06129	3.8
201.16357	37.1
203.03326	3.8
205.06566	4.8
211.07529	5.5
219.17406	50.6
220.17693	3.2
221.05934	33.3
223.07516	4.2
225.05521	9.1
229.76849	3.6
231.04913	5.8
237.05403	4.7
237.18443	33.6
239.06975	13.5
246.09694	4.2
247.87671	3.3
249.05464	39.4
251.07054	3.4
252.03926	6.7
253.04984	5.7
255.06538	4.5
261.05460	3.8
265.05011	4.1
266.05356	8.2
267.06546	16.3
276.03650	4.0
277.04962	31.1
279.02924	6.3
279.06448	5.9
280.03217	10.5
281.04382	11.5
294.04843	3.8
295.02600	4.6
295.05978	84.6
297.07596	3.7
305.04379	4.9
313.06958	3.2
321.03802	16.2
322.04245	33.1
323.05475	97.0
334.93845	3.2
339.04947	7.2
340.05286	11.7
341.06335	7.4
426.60901	2.8
479.42569	3.0
520.09253	14.3
521.19440	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	520.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01865	0.6
55.05508	3.0
57.07053	1.0
59.04980	0.7
59.98707	0.7
60.69438	0.5
63.02352	0.7
67.05499	5.0
69.03439	3.3
69.07063	3.7
71.04986	11.8
72.50893	0.5
73.06539	1.8
79.05489	4.7
80.34698	0.5
81.03400	2.4
81.07050	10.7
81.92290	0.6
83.04981	0.7
83.08607	2.0
85.02891	5.3
85.06538	1.0
87.00827	2.7
89.03902	6.5
91.05478	6.3
93.07035	10.3
95.04942	2.0
95.08018	1.0
95.08597	14.4
97.02883	2.2
97.06507	1.3
97.10136	0.8
99.04411	0.7
99.08076	1.9
105.01854	2.4
105.04478	0.7
105.07024	14.4
106.04160	0.7
107.04993	0.9
107.08584	11.2
109.02872	1.6
109.06486	0.9
109.10153	7.5
111.04426	1.3
111.08062	0.9
116.95789	0.6
117.03364	21.3
117.07002	0.9
119.04912	0.8
119.08547	4.0
121.10133	7.9
123.04401	0.5
123.08035	0.7
123.11702	3.4
124.43932	0.5
125.09619	9.4
127.03856	2.7
127.07541	1.7
127.11183	1.3
127.93798	0.6
129.07010	1.2
131.08560	4.2
133.10120	23.3
134.03676	0.8
135.04414	4.1
135.11658	0.9
135.37007	0.5
139.03911	1.4
143.10663	13.1
145.02834	46.6
145.10107	3.1
146.03181	1.7
147.04413	1.8
147.11668	5.9
149.05975	7.4
149.13235	12.9
151.11159	1.0
153.92134	0.6
157.10083	0.8
159.11665	4.4
161.13232	2.5
163.03885	3.5
167.14304	39.8
168.14578	0.8
177.05453	100.0
178.05695	3.0
181.04929	1.4
189.09019	1.0
191.17865	0.8
195.06528	0.8
201.16418	4.7
203.18028	0.8
219.17429	16.2
220.17754	1.1
221.03152	0.5
231.04903	1.0
237.18459	2.3
249.05530	1.5
273.14673	0.9
295.05969	1.5
301.13821	0.5
303.47617	0.6
321.09589	1.2
323.05438	1.5
339.10519	1.2
435.19839	4.0
469.13376	0.7
477.20770	6.9
491.64673	0.6
520.18774	2.5
521.19897	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	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.1
57.03447	3.8
57.07079	3.4
65.03936	9.7
67.05500	18.7
69.03419	15.4
69.07072	6.9
71.04970	6.8
73.02916	5.2
79.05499	11.5
80.03788	2.8
81.03422	15.6
81.07056	36.5
83.04972	18.5
83.08626	5.3
85.02900	35.7
87.00824	10.3
91.05473	23.1
93.03406	12.1
93.07045	30.0
95.08591	32.6
97.02893	12.4
97.06573	6.5
98.23497	6.6
99.04456	7.7
101.06042	4.4
105.01872	10.0
105.07037	39.1
107.04953	10.0
107.08585	75.0
109.02877	18.9
109.10149	32.8
111.04427	31.4
111.08110	4.5
117.03361	6.1
117.07024	11.5
119.08573	40.4
121.10136	18.5
123.11709	4.5
125.09628	99.5
127.03925	24.2
127.11182	10.6
128.05412	3.3
130.07819	4.5
131.08548	15.5
133.10162	15.4
135.04405	39.6
135.11700	18.8
137.05992	5.1
139.03891	61.4
143.10703	3.8
144.09427	3.4
145.02838	3.9
145.04971	8.4
145.10112	83.5
145.11223	5.6
146.10498	3.8
147.11678	6.8
149.13264	3.8
151.03972	3.2
159.02914	6.9
159.11667	38.9
161.13242	15.1
163.03911	16.9
165.06969	7.6
173.13248	23.8
177.05493	4.6
181.04967	33.7
191.17990	7.5
193.06517	5.6
201.14488	4.0
201.16359	79.7
219.17432	100.0
221.05956	20.8
225.05429	6.6
231.02858	4.2
231.05096	6.6
237.18427	3.4
239.07069	5.9
249.05470	27.5
267.06549	10.0
277.04968	20.3
279.06650	4.7
281.04358	8.7
295.06009	57.1
323.05493	77.2
323.09259	6.3
336.68579	3.4
341.06396	4.4
423.74548	3.5
464.63733	3.3
476.57196	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	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
53.16250	2.0
55.01866	3.2
55.05515	5.0
57.03448	2.1
61.02935	2.2
65.03938	14.2
67.05503	10.7
68.99783	2.6
69.03430	9.9
69.03752	2.2
69.07060	8.4
70.72659	3.8
71.04982	4.0
79.05486	11.8
81.03418	8.8
81.07045	26.7
83.04959	1.8
83.08625	2.4
85.02898	21.0
87.00839	7.9
89.03905	3.3
91.05469	21.9
93.03402	24.4
93.07045	20.7
94.03963	1.8
95.04973	2.6
95.08598	20.1
97.02887	9.0
97.06538	4.3
99.04474	4.1
105.01879	8.0
105.04517	2.3
105.07020	21.2
107.04955	19.5
107.08588	21.5
109.02879	10.0
109.06483	2.3
109.10177	13.5
111.03674	3.1
111.04436	58.5
115.05437	2.6
117.03391	2.8
117.07016	8.5
119.04923	2.1
119.08569	21.1
121.06544	2.3
121.10135	16.9
123.04401	2.5
123.08037	1.8
123.11692	4.1
125.09549	2.3
127.03905	16.7
129.01840	2.2
131.08572	7.9
133.10120	19.8
135.04407	63.7
135.11714	13.2
137.01288	2.0
137.02350	6.4
137.06030	2.4
137.09653	3.4
137.13257	2.8
139.03886	100.0
144.09485	1.9
145.02875	2.3
145.04933	5.6
145.10121	30.6
147.04419	5.6
147.11700	8.3
149.09688	1.9
149.13260	2.6
153.01787	11.1
153.05441	1.7
157.10094	1.9
159.02895	4.7
159.11670	20.7
161.13260	17.3
163.03902	26.9
163.11127	4.8
163.17407	1.8
165.06970	16.0
171.02917	2.3
173.13295	5.5
175.14839	6.3
179.14354	1.8
181.04948	55.6
181.06400	2.4
187.03935	4.4
191.17973	10.4
193.06400	8.8
197.05934	3.9
201.16374	31.0
203.03435	8.2
203.17960	4.0
205.06558	4.0
211.07588	5.4
213.01855	3.3
219.17441	55.7
220.17676	1.7
221.05968	29.7
223.07613	5.4
225.05515	9.0
231.02922	3.0
231.04948	3.3
237.18494	9.2
239.06989	10.3
249.05473	38.2
250.06184	4.5
251.07034	4.6
252.04184	5.9
253.04993	8.3
255.06577	5.0
267.06497	22.2
269.04514	2.6
271.06113	2.0
273.07620	12.0
277.04910	32.4
278.05777	3.1
279.06534	8.5
281.04431	15.1
286.95862	1.9
295.05997	84.9
297.07794	2.7
305.04459	5.5
305.68274	2.1
313.07220	6.7
323.05484	94.2
325.07065	2.1
341.06580	7.4
345.73965	2.2
499.07013	1.9
521.10901	4.3
530.38049	2.0
547.09082	2.2
549.26532	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80696	0.2
55.05506	0.2
56.05024	0.7
58.06612	0.6
60.08158	6.9
67.05502	0.7
69.07054	0.4
69.18054	1.2
71.07365	3.6
76.97404	0.2
81.07036	0.3
86.09696	32.0
87.10022	0.2
91.05476	0.2
93.07038	0.3
95.08582	0.4
98.96692	0.2
98.98456	3.9
104.10735	2.8
105.07021	0.5
117.06995	0.2
119.08553	0.3
120.08890	0.2
123.50825	0.2
124.99989	23.2
141.05205	0.2
159.11687	0.2
180.29585	0.2
184.07320	100.0
185.07628	0.8
191.25867	0.2
241.10445	1.9
242.10797	1.4
258.11023	0.3
301.17609	0.4
302.18094	1.1
502.32635	0.9
520.27930	1.9
520.34613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66487	0.3
55.05496	1.3
56.05031	1.2
58.06603	1.5
60.08160	18.0
61.74773	0.4
67.05497	3.3
69.07059	1.7
69.22298	1.7
71.06970	0.5
71.07367	7.9
77.81544	0.4
79.05486	0.7
81.07042	2.9
84.38294	0.3
86.09700	50.6
87.10042	0.4
93.07013	1.0
95.08601	2.0
98.98462	4.6
104.10735	96.3
105.11069	0.8
109.10113	0.5
124.99996	30.5
163.01523	0.7
184.07326	100.0
185.07698	1.1
190.69893	0.4
238.79152	0.4
248.10547	0.4
258.10992	1.0
337.27341	1.0
502.32837	7.0
520.33966	21.2
521.34387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18463	0.8
55.01858	1.0
60.13031	0.6
65.03931	12.8
70.16401	1.9
71.67119	0.9
79.05492	3.4
82.63108	0.6
89.03912	2.6
91.05474	8.2
93.03394	21.3
95.04962	0.9
98.22797	0.8
105.04472	1.0
107.04944	19.5
110.69854	0.7
111.04432	49.9
112.04720	0.7
117.03355	3.0
119.04929	2.8
123.04408	1.9
135.04401	59.0
136.04761	0.7
137.02277	4.9
137.05960	2.3
139.03885	100.0
141.06973	1.4
145.02866	1.4
147.04326	1.1
153.05463	1.7
153.06955	0.9
159.04405	1.3
163.03885	27.9
164.06174	0.9
165.07004	12.4
169.06551	0.8
177.05569	0.9
177.06964	3.2
181.04938	63.5
182.05325	1.1
187.03946	3.2
193.06465	7.1
194.07031	0.7
195.08124	1.3
196.05334	0.8
197.05957	3.7
203.03357	8.6
205.04889	0.9
205.06468	4.3
209.04375	0.9
210.06729	1.3
211.07523	4.9
213.01801	2.5
215.07016	0.9
221.05952	27.6
222.06485	1.0
223.07510	4.9
224.04654	0.6
225.05498	8.3
231.02834	3.8
233.05890	2.6
239.07045	9.6
249.05455	31.3
250.06058	3.5
251.06996	3.4
252.04167	6.9
253.04903	8.4
255.06543	6.1
261.05527	1.4
266.05768	1.0
267.06488	16.6
269.04398	2.0
271.06003	1.2
277.01895	1.7
277.04926	28.3
278.05627	2.6
279.06470	8.4
281.04431	15.0
284.02988	2.0
294.05170	0.7
295.05988	89.4
296.06403	2.2
297.04547	1.0
297.07407	4.3
299.05426	1.0
299.08801	1.0
305.04349	5.5
313.07028	5.6
323.05453	84.9
324.05753	1.9
325.06924	1.3
341.06537	6.4
411.08331	0.9
447.10602	0.9
493.11249	0.8
521.10657	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	521.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
56.06613	0.6
62.59700	0.5
65.03591	0.8
65.03935	15.2
65.05161	0.5
68.86880	0.5
70.13078	1.6
70.59348	0.5
72.76338	0.5
77.11440	0.6
79.05497	3.5
80.18670	0.5
85.34720	0.6
89.03899	2.5
91.05473	9.9
93.03398	23.5
95.04940	1.3
105.04494	0.7
107.04945	21.9
111.04436	54.9
112.04767	1.1
115.56847	0.6
117.03362	2.5
119.04917	3.9
123.04431	1.5
129.03397	0.7
131.04947	0.7
135.04405	61.5
136.04773	0.9
137.02336	4.6
137.05968	2.1
139.03889	100.0
140.04227	1.3
141.06958	1.1
145.02847	1.0
145.03937	0.7
147.04396	1.1
153.05473	1.5
153.06917	1.0
155.08580	1.1
157.02829	0.7
159.04453	1.0
163.03888	19.8
164.04298	0.6
165.06981	16.6
169.06503	1.4
176.06201	1.6
177.05510	1.2
177.06992	3.2
179.03357	0.9
181.04947	54.6
181.06264	2.0
182.05223	1.1
183.07974	1.2
187.03867	3.1
191.06929	0.8
193.06461	9.9
195.08035	1.1
195.81169	0.6
196.05228	1.3
197.05956	3.8
203.03342	7.1
203.05002	0.6
205.06453	6.0
209.04402	1.2
209.07990	1.0
211.07535	5.3
213.01843	2.2
215.07050	0.7
221.05962	28.7
222.06528	0.9
223.07545	5.1
224.04759	0.9
225.05443	10.6
226.05794	0.6
231.02896	3.3
233.05928	3.6
234.06699	1.2
237.05421	0.6
239.07011	11.2
249.05466	37.0
250.06111	3.6
251.07005	6.1
252.04163	8.0
253.04951	8.6
255.06456	6.5
259.03882	1.2
260.04779	0.9
261.05374	1.9
266.05719	2.0
267.06509	19.7
268.07043	0.8
269.04523	1.5
271.05865	0.9
277.04935	29.6
278.05630	3.7
279.06488	6.7
281.04407	16.7
284.03152	2.2
294.05267	1.6
295.05978	82.7
296.06400	3.6
297.07486	4.2
299.09088	0.7
300.06204	0.6
305.04483	8.4
313.06973	4.6
323.05472	75.2
324.05942	2.9
325.06946	1.8
339.49463	0.6
341.06531	5.7
365.06604	0.9
405.26855	0.7
411.08469	0.9
456.43887	0.6
470.72574	0.6
493.11066	0.8
521.10565	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	521.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
56.97329	0.8
57.05772	0.6
65.03935	11.8
65.89462	0.6
70.20039	1.6
70.20384	0.8
79.05482	2.8
89.03909	2.5
91.05472	7.2
93.03399	20.3
95.04958	1.5
107.04942	18.7
111.04436	51.6
111.70133	0.7
111.98465	0.7
117.03352	2.1
119.04916	2.9
123.04384	1.5
127.03864	0.9
131.04980	0.9
135.04405	56.6
136.04723	0.8
137.02304	3.9
137.05969	2.7
139.03888	100.0
140.04190	0.9
141.07007	1.3
142.44083	0.7
145.02834	0.9
153.05501	1.2
153.06946	0.9
159.04375	0.9
163.03891	22.4
165.06978	12.1
169.06482	1.4
176.06195	1.0
177.05565	1.0
177.07013	2.0
181.04945	57.3
181.06381	2.8
183.08044	1.4
187.03902	3.1
193.06467	6.7
195.07982	0.9
196.05255	1.2
197.05966	3.5
203.03368	5.0
205.04886	0.9
205.06497	6.1
209.04344	0.9
211.07510	5.5
213.01779	2.0
221.05959	24.4
222.06395	0.8
223.07515	5.2
225.05441	9.1
227.07123	0.8
231.02859	2.9
233.05980	2.9
239.07054	8.1
249.05444	34.6
250.06134	2.8
251.06937	3.9
252.04131	6.2
253.04961	7.4
255.06528	6.2
259.03775	0.9
261.05481	1.9
266.05734	2.1
267.06503	17.4
268.07254	0.9
269.04532	1.5
269.08057	0.9
271.05923	1.8
277.04947	30.2
278.05637	2.2
279.06503	8.3
281.04440	14.9
282.04987	0.8
284.03177	2.6
294.05090	1.3
295.05981	81.0
296.06467	2.4
297.07538	4.4
305.04333	6.8
313.06973	5.3
323.05469	78.1
324.05795	2.2
325.06924	1.8
341.06564	6.6
411.08606	1.1
429.09781	0.8
521.10651	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	521.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01860	0.5
63.02377	0.5
65.03590	0.8
65.03934	14.0
66.29164	0.5
69.43207	2.0
77.03915	0.6
79.05472	2.4
81.03390	0.7
84.77992	0.5
85.06511	0.8
85.88612	0.4
89.03919	2.9
91.05476	9.0
93.03396	18.6
95.04951	1.6
95.08571	0.6
105.04505	0.5
107.04945	19.8
109.02871	0.6
111.04434	56.2
112.04773	0.5
117.03360	2.2
119.04932	3.2
123.04417	1.9
127.03895	0.6
131.04944	0.8
133.02858	0.6
135.04402	58.5
136.04733	0.7
137.02306	4.5
137.05963	2.8
139.03886	100.0
140.04216	1.0
141.06981	1.0
145.02837	0.9
147.04291	1.1
153.05453	1.5
153.06972	1.4
157.02823	0.6
159.04375	0.7
163.03889	23.2
165.06982	14.6
169.06488	1.4
175.03923	0.5
176.06161	1.3
177.05574	1.0
177.06987	3.0
179.03308	0.6
181.04941	44.5
181.06305	2.0
182.05284	0.9
182.06885	0.5
187.03838	3.1
193.04881	0.9
193.06474	8.5
195.08063	0.8
196.05209	1.6
197.05916	3.6
203.03358	7.9
205.06470	6.4
209.04439	0.8
210.06749	0.7
210.93044	0.5
211.07478	5.3
213.01860	2.6
215.06956	0.6
221.05946	25.1
222.06358	1.2
223.07562	4.5
224.04628	0.8
225.05438	9.3
231.02843	2.4
233.05933	2.9
234.06631	1.0
237.05440	1.0
238.06161	0.6
239.06996	10.6
249.05452	34.1
250.06129	3.0
251.07051	4.3
252.04190	6.0
253.04909	8.0
255.06488	6.2
256.07251	0.7
259.03836	1.2
261.05475	1.5
262.06250	0.8
265.05029	0.6
266.05734	1.5
267.06497	19.0
268.06940	0.6
269.04376	1.3
271.06067	0.6
273.04996	0.6
273.14719	0.5
277.04941	28.3
278.05643	3.1
279.06534	6.2
281.04446	14.1
282.04700	0.6
284.03168	2.2
295.05984	74.3
296.06342	2.7
297.07544	4.2
299.05405	0.9
305.04434	5.9
312.08643	0.5
313.06989	5.5
323.05463	66.1
324.05746	2.4
325.06985	2.0
335.74960	0.5
341.06564	6.9
411.08121	0.6
429.09424	0.6
435.19724	2.0
447.10416	0.5
477.21082	4.2
493.10712	0.9
521.10706	3.1
521.19611	11.9
521.27277	0.8
525.27673	0.6
528.12970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.7
50.17231	0.6
51.45367	0.6
55.01865	1.3
57.33675	0.6
61.28975	0.6
61.38301	0.6
63.98986	0.6
65.03935	14.5
70.55641	1.4
73.44315	0.6
77.03927	1.4
79.05487	3.0
87.88038	0.6
89.03897	2.5
91.05474	8.4
93.03400	23.6
95.04966	2.2
107.04945	19.1
111.04435	52.3
112.04781	1.0
117.03339	1.5
119.04911	3.5
121.18118	0.7
123.04444	1.6
135.04407	58.1
137.02354	4.8
137.05908	3.3
139.03891	100.0
140.04185	1.0
141.06953	0.8
145.78992	0.7
147.04349	1.1
153.05493	1.6
155.08533	1.1
159.04411	1.2
163.03900	21.6
165.06982	15.2
167.08437	0.8
169.06424	1.5
176.06206	1.8
177.06990	3.0
181.04948	63.5
181.06328	2.6
182.05315	1.0
187.03873	2.8
193.06444	10.3
195.08060	1.3
196.05208	1.5
197.05949	3.0
203.03374	7.0
205.04842	1.2
205.06450	5.6
209.04407	1.1
209.06168	0.8
210.06627	0.9
211.07500	4.1
213.01816	2.8
221.05962	29.6
222.06406	1.0
223.07539	5.4
225.05434	10.9
231.02777	3.2
233.05939	3.2
239.07005	10.5
249.05453	32.9
250.06133	3.4
251.02267	0.6
251.07100	4.7
252.04156	8.0
253.04977	9.5
255.06493	7.2
259.03873	1.1
260.04764	1.1
261.05524	1.3
266.05661	1.7
267.03622	1.1
267.06476	18.0
268.06982	1.5
269.04449	2.3
271.06107	0.9
277.04947	26.8
278.05600	2.7
279.06506	7.8
281.04425	15.6
282.04700	1.0
284.03125	2.4
294.05176	0.9
295.05984	83.2
296.06400	3.2
297.07620	2.8
299.05603	0.9
299.09048	2.0
305.04346	5.3
313.07004	7.1
323.05466	84.6
324.05807	2.6
325.07150	2.0
341.06512	8.1
353.08173	0.8
359.08835	0.8
399.08646	1.5
433.08676	0.6
447.11459	1.0
461.08591	1.4
521.10980	5.8
521.18164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76189	0.6
51.07600	0.6
53.43802	0.6
56.59550	0.6
58.17323	0.6
58.72937	0.7
61.72150	0.6
65.03925	1.2
67.05499	1.6
69.03410	0.8
69.07067	1.1
69.10975	4.4
79.05482	1.8
81.07062	3.0
91.05450	1.1
93.07034	1.4
95.04951	1.4
95.08598	1.4
98.23434	1.7
105.07015	0.8
107.04930	1.5
107.08585	1.2
109.10176	1.2
111.04429	3.4
119.08601	0.7
121.10153	1.1
123.04491	1.5
125.04404	0.6
133.02890	0.9
135.04413	4.3
139.03893	6.2
143.99150	0.7
145.10165	0.9
149.09698	0.8
151.07576	2.0
153.05473	2.9
153.09082	0.7
159.08127	0.8
163.03935	2.2
163.07623	1.2
165.07079	1.0
177.08986	0.8
181.04953	2.7
191.03419	1.7
191.14378	0.7
197.06033	0.7
218.13139	1.7
221.05948	1.7
233.15363	15.1
245.06181	3.8
249.05547	1.5
255.13725	3.2
273.14603	2.9
277.04922	1.4
281.04691	1.2
283.06000	3.0
289.05270	4.0
293.99832	0.7
295.06036	5.9
297.07709	0.8
323.05511	4.2
325.07428	0.8
341.06607	1.3
342.07224	2.0
343.07822	0.9
408.04456	0.7
435.19879	8.7
477.20895	17.8
478.20959	1.0
521.19897	100.0
522.13239	1.0
522.20068	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	521.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03241	0.6
53.03987	0.7
55.87189	0.7
63.02367	0.8
65.03939	7.4
69.44232	2.0
86.51369	0.8
89.03909	1.8
89.49879	0.8
91.05460	6.7
92.93562	0.8
93.03393	7.6
95.04961	1.2
107.04952	9.4
107.85761	0.7
111.04436	38.0
112.04817	0.8
117.03326	1.7
119.04947	1.8
123.04431	1.6
131.04939	1.3
135.04402	34.7
136.04750	1.0
137.02356	2.9
137.05978	1.7
139.03893	58.7
140.04282	1.1
153.05525	1.2
154.43188	0.7
163.03891	15.3
165.06998	7.7
169.06564	1.4
177.07031	1.3
181.04938	31.6
181.23987	0.8
182.05304	0.9
187.03879	1.7
193.06480	5.3
194.92616	0.8
197.05998	2.2
203.03407	4.1
203.05167	1.7
205.06508	2.6
211.07523	3.0
213.01898	1.1
218.37869	0.8
221.05975	16.1
222.06552	0.9
223.07549	2.6
225.05498	5.0
227.05182	0.9
231.02840	1.7
233.06046	2.8
239.06996	5.5
245.06342	5.7
249.05460	27.1
250.06050	2.1
251.07030	3.2
252.04146	3.3
253.04892	4.4
255.04176	0.8
255.06404	3.7
255.13486	1.7
261.05356	1.0
266.05817	1.6
267.06500	13.5
268.06848	1.1
269.04483	1.1
273.14600	3.5
277.01965	1.1
277.04938	19.0
277.07837	1.0
278.05493	2.7
279.06424	4.1
281.04471	9.2
284.03128	2.4
289.05298	21.8
295.05991	50.0
296.06403	3.3
297.07605	2.6
305.04419	3.7
311.29547	0.8
313.07166	2.6
323.02325	0.8
323.05457	45.9
324.05865	3.4
341.06528	7.6
435.19922	7.1
477.20963	21.9
521.11261	4.3
521.19867	100.0
522.12061	1.4
522.20300	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	521.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18630	0.4
57.12187	0.4
61.26233	0.4
65.03931	1.3
69.03441	0.4
70.92542	0.5
81.07069	0.9
89.03931	1.2
91.05478	1.2
93.03414	1.2
93.07070	0.6
95.04954	0.8
95.08627	0.4
105.03409	0.7
105.07001	0.8
107.04952	2.6
110.77644	0.5
111.04437	5.4
117.03359	1.1
119.08557	0.5
120.12766	0.4
121.02872	0.6
123.04433	1.7
127.02353	0.5
131.04909	0.7
133.02834	1.0
133.10144	0.6
134.03662	0.6
135.04408	7.9
135.11794	0.5
137.02315	1.1
137.05966	2.7
139.03885	8.3
145.02846	2.0
145.10063	0.6
147.04471	0.5
151.03928	0.5
153.05534	0.7
161.02312	1.3
161.06032	0.5
162.03117	0.9
163.03891	13.2
164.06281	0.4
165.07028	1.2
173.02367	1.7
173.99207	0.4
175.11105	0.4
177.05414	0.7
181.04945	5.2
183.69951	0.4
187.03845	0.6
187.14952	0.5
193.06535	0.7
197.05914	0.5
197.96303	0.4
209.33127	0.4
211.07578	0.5
221.05875	2.0
225.05421	0.6
249.05486	1.8
257.15088	1.5
264.06601	0.6
267.06488	1.1
273.14615	5.3
277.05045	1.1
287.03766	1.1
289.05481	0.8
295.06006	4.9
297.07568	0.8
301.13922	2.0
323.05487	8.3
341.06357	0.5
342.09821	1.4
360.10764	0.8
379.15707	0.7
383.13071	0.7
401.19437	0.6
417.18930	1.3
435.19855	18.0
455.19141	0.5
459.20453	0.6
477.20932	31.1
478.21161	1.2
519.98322	0.4
521.19885	100.0
522.20227	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	521.199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12863	0.8
53.93823	0.8
65.03927	2.1
79.05473	1.0
81.07069	1.0
87.00808	0.8
91.05463	1.2
93.03399	3.0
93.07033	1.4
98.48672	0.9
107.04951	3.7
111.04433	8.4
127.03928	1.2
135.04411	11.1
139.03891	16.1
140.92400	0.8
141.05173	1.3
163.03896	7.0
165.06995	2.7
165.43488	0.9
177.09062	16.3
181.04936	7.5
193.06502	1.7
203.03308	1.3
213.09033	1.3
221.05951	4.1
225.05435	1.5
227.05281	3.0
239.07037	1.5
243.04790	1.0
249.05452	5.8
250.06071	1.0
255.13712	1.0
267.06366	2.3
271.04279	3.1
273.14639	2.2
277.04938	3.5
279.06332	1.0
281.04440	2.0
289.05191	2.6
295.06012	12.6
313.07108	1.4
323.05490	9.9
329.08316	1.8
341.06604	1.9
359.21887	1.1
364.75790	1.1
435.19626	5.4
477.20898	19.2
478.21121	1.1
481.22302	1.0
521.19818	100.0
522.20142	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	521.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.7
65.03932	1.9
67.05484	1.1
70.66472	0.9
71.04991	1.3
79.05502	1.5
81.03431	0.8
81.07051	2.3
91.05484	1.8
93.03412	2.1
93.07047	1.9
95.08585	1.9
96.08920	0.8
105.07019	1.9
107.04938	3.8
107.08582	1.2
109.10161	1.4
109.94820	0.6
111.04433	6.4
112.04752	0.6
116.49668	0.6
117.03363	1.8
119.08611	2.1
121.10155	1.0
123.04422	2.4
125.09645	1.0
131.08556	1.2
133.02858	2.7
133.10139	1.9
135.04407	10.1
136.04836	0.7
137.02321	1.1
137.05922	1.3
139.03882	12.6
143.10664	1.1
145.02870	1.9
145.10100	1.0
147.04381	0.9
147.11690	1.2
148.11980	0.8
149.13258	0.9
150.13562	0.8
159.11693	0.8
161.02339	2.3
162.03131	1.2
162.13635	0.7
163.03889	18.1
165.06981	1.2
167.13083	0.6
167.14288	3.9
168.14702	2.1
173.02361	3.3
177.05444	1.1
178.05864	1.7
181.04951	6.9
186.89636	0.7
193.06435	0.7
214.89906	0.8
220.17801	1.3
221.05956	2.5
221.19118	0.9
225.05482	0.7
249.05536	2.3
255.13622	1.1
256.14392	0.8
267.06506	2.1
273.14505	4.4
277.05048	1.3
281.04514	0.8
295.05893	5.8
297.07593	1.1
301.14075	1.8
323.05463	13.1
417.19019	1.5
435.19855	17.9
436.20691	0.9
459.20309	0.9
477.20905	29.9
478.21503	1.6
521.19891	100.0
522.20490	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	521.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02261	0.4
65.03943	1.4
68.30215	0.4
69.03432	0.4
69.29401	1.0
69.29796	2.1
79.05482	0.7
81.07069	0.8
91.05491	1.3
93.03420	1.4
93.07030	0.4
103.05470	0.8
105.07027	0.6
107.04967	1.9
111.04431	4.7
117.03412	0.8
131.04956	0.9
133.02878	0.4
135.04404	5.1
137.02377	0.7
137.05995	0.9
139.03900	7.9
145.02855	0.5
151.03867	1.0
161.09499	0.4
163.03900	4.9
163.07510	0.9
165.07016	1.2
177.05479	0.5
181.04942	4.0
197.05977	0.5
203.03360	0.5
205.06517	0.5
221.05978	2.0
225.05467	0.7
249.05461	3.2
251.07280	0.5
252.04070	0.7
253.04948	0.7
257.15244	1.0
267.06534	1.9
273.14578	6.3
277.04926	3.0
279.06451	1.0
281.04559	0.9
295.05975	7.0
295.09079	0.5
297.07355	0.5
301.14163	2.0
303.50235	0.5
305.04498	0.6
323.05481	6.9
341.06555	1.2
377.89325	0.5
417.18906	1.2
435.19882	19.9
436.20102	1.2
459.19470	0.7
477.20917	35.8
478.20993	2.0
508.78702	0.4
521.19885	100.0
522.20081	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	521.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42559	0.3
51.02357	0.4
53.03927	0.4
54.81774	0.2
55.01853	0.5
64.36523	0.3
64.59295	0.3
65.03922	0.9
69.03416	0.4
70.06553	0.3
77.03912	0.7
79.05487	1.1
85.02891	1.1
85.06559	0.3
89.03903	0.4
91.05476	1.4
93.03396	1.4
95.04946	1.9
103.05456	54.7
104.05791	1.0
105.04522	0.8
105.07012	5.8
107.04947	1.6
111.04443	3.7
115.05444	1.1
119.04926	1.3
127.03947	0.5
131.04912	100.0
132.05241	1.7
133.06479	4.4
135.04411	3.9
137.02330	0.3
137.05959	4.6
139.03880	6.7
147.04402	1.3
161.05962	13.6
163.03883	2.8
163.07524	28.3
164.07841	0.4
165.07013	1.2
172.05191	0.4
175.03923	0.4
175.07568	0.8
177.05423	0.5
177.06937	0.3
179.06947	0.6
181.04951	3.8
187.03880	0.6
187.07507	1.4
193.06447	0.4
197.06036	0.3
199.07378	0.3
203.03458	0.4
207.06470	0.8
217.08643	0.4
221.06001	2.3
223.07358	0.4
225.05467	0.7
230.32832	0.4
239.06990	0.5
249.05441	3.5
250.06197	0.4
251.10672	0.5
253.05040	0.4
255.06355	0.5
261.05438	0.3
267.06635	1.7
275.34329	0.3
277.04950	1.8
279.06503	0.6
279.10049	0.7
281.04391	1.0
291.10101	0.4
295.06018	6.3
296.06345	0.4
305.04587	0.3
311.12729	1.1
323.05453	6.8
323.12628	0.3
341.06631	0.8
372.53195	0.3
386.05048	0.3
412.06631	0.3
521.10699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63885	6.8
70.19805	16.0
70.20171	11.4
91.03960	8.5
97.05965	7.4
98.22742	10.0
99.45197	9.6
109.14716	8.2
118.06496	15.3
146.05989	71.1
163.03906	15.8
173.88669	8.8
187.32106	7.3
188.07033	100.0
205.09656	39.7
253.69489	8.3
259.74509	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	521.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06561	1.5
55.51432	1.5
55.72212	1.5
56.95783	1.5
65.03932	4.4
69.07059	1.7
73.25710	1.6
75.83912	1.5
79.05489	4.0
89.03913	1.7
91.05476	3.9
93.03398	5.8
93.07043	2.7
94.06575	2.2
95.04942	1.5
102.09283	1.7
102.59331	1.6
107.04927	9.7
108.08159	2.5
108.74020	1.8
110.09708	3.6
111.04435	16.0
120.08087	2.9
121.08438	2.1
127.03940	2.7
135.04419	16.3
136.07556	2.9
137.02345	3.6
138.03088	4.4
138.09172	3.0
139.03897	27.7
153.05438	37.8
163.03912	9.0
165.07001	4.6
166.08681	4.8
167.09003	1.7
179.24342	1.7
181.04953	12.7
191.03397	28.9
193.06558	1.7
205.06485	1.9
221.06000	9.7
224.09283	1.9
225.05519	2.4
233.06023	2.0
237.10338	3.5
238.10617	3.8
239.06770	28.4
239.08801	2.6
241.10457	2.4
249.05515	8.0
249.10330	2.0
250.10643	3.3
251.11490	4.0
252.08467	2.8
252.12209	2.1
253.09637	3.1
255.06453	2.0
265.09714	3.0
266.10226	4.1
267.06589	4.3
267.11273	2.7
271.04251	2.0
271.10785	1.7
273.14673	4.3
277.04865	7.5
279.11252	5.2
280.11728	5.4
281.04343	3.2
281.12585	2.1
283.05865	2.1
283.10562	2.2
284.11005	3.4
289.05124	2.3
290.10178	3.3
293.08997	2.0
294.10007	1.9
295.06009	24.6
295.10715	2.9
299.10257	1.7
309.12387	2.7
321.10965	41.1
323.05463	23.4
328.13461	1.8
336.10870	1.9
339.13354	8.5
340.13705	17.3
341.06531	8.3
355.12833	5.5
356.13226	7.3
367.12817	8.0
368.13229	19.2
369.06113	4.4
387.07217	6.3
476.26425	1.8
477.21170	6.3
489.18314	7.5
493.21454	5.4
503.18890	2.0
521.21045	100.0
521.40820	2.6
522.21515	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88753	1.1
65.03926	2.2
67.05499	2.3
71.20866	1.3
79.05467	1.9
81.07057	2.1
91.05484	4.6
93.03423	5.7
93.07045	1.9
95.04940	1.7
95.08593	1.3
105.07046	3.5
107.04948	3.6
107.08564	1.6
111.04446	10.2
119.08567	1.7
133.10139	3.2
135.04388	10.5
137.05966	1.3
139.03902	15.4
145.10104	1.6
163.03880	9.1
165.07036	2.7
181.04953	8.8
193.06412	1.2
203.03355	1.6
212.96989	1.0
221.06003	7.1
225.05470	1.5
239.06981	2.1
249.05518	8.9
253.04910	1.5
254.45853	1.1
255.06277	26.7
267.06552	2.9
277.04929	6.6
281.04449	2.5
295.05994	16.8
295.09137	1.4
296.36679	1.3
305.11465	100.0
306.11890	3.2
323.05402	13.7
341.06482	2.6
521.21429	90.7
522.21710	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	521.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55765	3.2
68.31612	3.2
74.28783	4.1
74.36628	4.3
76.29865	4.4
79.05506	5.1
81.07052	5.8
91.05505	4.0
111.04443	11.4
119.30624	4.1
131.08643	3.5
135.04417	15.3
139.03873	19.0
162.29836	3.8
163.03900	9.5
174.20125	3.6
181.04955	9.7
190.62881	3.8
213.05159	22.4
221.05989	9.4
235.61320	3.6
249.05479	6.7
277.04947	7.2
295.05923	19.0
323.05499	10.1
331.46457	3.6
347.12515	100.0
359.21753	7.4
521.21210	66.0
521.28870	6.3
522.21753	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	521.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05036	0.7
57.03429	0.1
57.07049	0.1
58.06625	0.4
60.08161	7.4
61.08492	0.6
65.03922	0.3
67.05506	0.6
68.05801	0.1
69.07053	0.4
69.22011	0.2
69.22417	0.4
70.06578	0.1
71.06974	0.1
71.07369	4.2
72.07698	0.4
75.04475	10.3
76.04769	0.1
79.05492	0.2
81.07059	0.5
86.09699	34.3
87.09439	0.3
87.10023	4.8
91.05456	0.1
95.08596	0.4
98.98453	4.8
104.10735	3.6
105.06991	0.1
105.11057	0.4
107.04939	0.2
109.10126	0.1
111.04439	0.6
123.04452	0.6
124.93764	1.0
124.99992	27.0
126.00341	1.3
135.04404	0.6
139.03909	1.2
142.94742	0.2
143.01060	0.3
145.06416	0.2
150.03085	0.1
153.05443	1.4
161.05869	0.1
163.01602	0.1
163.03889	0.4
165.07019	0.2
166.02603	0.1
167.97968	0.8
173.05919	0.1
175.07558	0.2
177.05452	0.3
181.04942	0.5
184.07324	100.0
185.07678	14.6
185.98997	0.3
186.07787	0.4
189.05394	0.1
191.06920	0.6
193.06393	0.1
211.07443	0.1
213.09125	0.1
221.06004	0.2
221.09575	0.2
223.07545	0.2
223.11263	0.1
225.05426	0.2
239.07063	0.1
249.05502	0.3
249.09280	0.1
258.11002	0.1
261.08859	0.1
265.08487	0.5
267.10187	0.2
277.04929	0.2
277.12009	0.2
279.10107	1.1
282.12537	0.1
291.13809	0.1
292.11099	0.1
293.11957	0.1
294.09445	0.2
294.12439	1.2
295.06073	0.7
295.13055	0.1
307.13284	0.2
309.14841	1.7
318.72672	0.1
323.05417	0.8
329.68668	0.1
336.13663	0.1
344.15607	0.1
353.11731	0.3
354.12314	0.1
355.12610	0.1
369.14676	0.1
381.11084	0.2
383.16858	0.2
389.13739	0.3
399.12354	0.2
401.17551	0.2
411.15970	0.2
414.14554	0.1
417.13342	0.6
429.16876	0.3
431.14612	0.1
432.15665	0.6
447.17981	22.6
448.18228	0.6
461.19699	0.9
489.19073	2.9
502.32965	0.3
503.33173	0.7
520.33838	0.2
521.21729	0.9
521.34302	1.4
522.25500	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
61.52144	0.4
61.52438	0.4
63.02362	0.8
65.03934	1.0
67.05487	0.7
67.28140	0.4
71.97576	0.3
75.80341	0.4
77.03952	0.6
79.05478	2.2
81.03421	0.6
81.07024	0.8
83.78421	0.3
85.02893	0.7
89.03371	0.7
89.03909	11.1
91.05463	2.2
93.03402	0.5
93.07041	0.6
95.04954	2.3
98.23524	0.7
105.03395	0.6
105.04488	0.5
105.07018	0.5
107.04939	3.0
107.08592	0.5
109.06466	0.4
109.10126	0.4
111.04422	1.4
112.04787	0.5
116.04953	0.4
117.03375	11.5
117.05715	0.8
118.06535	0.5
119.04906	1.4
119.08558	0.7
120.04465	2.8
121.05218	0.4
121.06499	1.3
123.04420	24.8
127.03896	0.4
132.04436	1.3
133.02835	0.9
133.05244	1.3
134.03638	0.6
135.04407	23.8
136.04791	0.8
137.02303	0.4
137.05988	0.5
139.03894	2.3
140.04193	0.6
141.05531	0.4
145.02841	13.9
146.05978	1.2
147.04381	1.2
148.03929	16.6
148.07584	1.0
149.04712	7.9
149.05836	0.3
150.05515	0.7
153.05470	0.5
159.03125	0.5
160.03868	0.5
161.04741	1.8
162.05484	0.8
163.03888	100.0
164.04198	2.4
167.07211	0.4
172.03891	1.5
174.05431	0.6
175.03949	0.5
175.06294	0.9
176.07048	7.1
176.08421	0.3
177.05511	0.8
178.04973	1.8
180.07982	0.6
181.04909	1.2
183.06789	0.5
185.00909	0.3
186.05450	0.6
190.04927	0.4
199.06230	0.5
200.03418	1.4
202.05020	1.0
202.18666	0.3
204.06538	1.5
207.06770	0.6
208.07564	0.9
209.08310	0.7
210.09106	0.9
211.06296	0.6
212.06964	1.1
220.07544	1.0
221.05972	0.4
222.06329	0.6
222.09096	0.8
224.07149	1.4
225.07819	1.4
226.08577	1.0
227.05809	0.7
228.06374	0.6
232.05978	0.9
235.06271	1.4
236.07025	3.3
237.07799	1.6
238.08586	2.1
239.05714	0.6
240.10283	1.1
242.07999	1.7
242.87564	0.4
248.07077	0.8
250.06157	0.5
250.08557	1.8
252.06572	1.4
252.10124	1.3
253.07263	2.1
254.08037	3.4
256.06210	1.0
257.06805	0.7
263.05743	0.8
264.06528	5.4
265.07251	1.7
266.08096	2.0
267.08871	2.0
268.07074	0.5
268.09656	3.0
270.07611	2.6
270.10855	0.4
271.08328	1.4
272.09009	0.4
278.05313	0.7
278.08130	2.5
279.08884	0.5
280.06406	0.6
280.09656	5.1
281.06879	1.8
282.07574	5.1
283.08347	0.8
284.09024	1.9
285.03653	0.5
285.06396	1.8
285.09137	0.4
286.10632	0.7
291.05234	1.2
295.06030	0.6
296.06357	1.1
296.09171	13.8
297.09677	1.0
298.07599	0.6
298.10703	4.3
300.08646	13.8
301.09076	0.5
303.04883	1.1
306.07639	2.3
309.06274	4.5
312.08746	1.2
314.10187	13.0
315.10587	0.6
323.05426	0.8
324.05667	1.0
324.08789	8.1
327.07385	1.2
328.05533	0.7
342.09695	35.7
343.10104	1.4
345.06100	0.6
360.10736	30.0
361.08942	2.8
364.13364	0.4
396.19833	0.4
411.73532	0.4
522.13483	1.1
522.20319	0.6
523.14264	1.2
523.20642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59170	0.4
63.02375	0.7
65.03929	0.5
67.05524	0.6
77.03939	0.8
79.05476	1.6
89.03910	10.8
89.45971	0.4
91.05463	1.5
93.07009	0.6
94.06505	0.5
95.04970	2.6
105.03362	1.1
107.04948	3.1
111.04436	0.6
117.02560	1.0
117.03365	11.9
117.05792	0.8
119.04930	1.3
120.04470	2.3
121.06498	0.7
123.04417	23.4
132.04478	1.0
133.02864	0.8
133.05203	1.2
134.03580	0.5
135.04405	18.7
136.04706	0.7
139.03833	1.0
145.02843	12.2
145.03941	1.0
146.05969	0.9
147.04405	0.9
148.03915	14.2
148.07591	0.7
149.04716	6.6
150.05435	0.6
158.06053	0.5
160.03981	0.5
161.04724	1.2
162.05518	1.1
163.03889	100.0
164.04243	2.0
172.03925	1.6
174.05458	0.6
175.06219	0.9
176.07066	6.5
177.05537	0.6
178.04959	1.7
188.07059	0.5
192.08064	0.7
196.07535	0.6
200.03442	0.7
202.04930	1.0
204.06525	2.9
208.07567	1.2
209.08356	0.7
212.07175	0.6
212.41696	0.4
220.07578	0.8
221.06081	0.5
221.08281	0.8
224.06883	0.8
225.07825	1.5
226.08632	1.6
227.05687	0.7
228.06563	0.5
232.06020	0.5
235.06215	1.2
236.07014	2.2
237.07813	1.9
238.08650	1.9
240.06598	0.7
240.10155	0.8
242.08192	1.1
250.08600	1.1
251.09468	0.6
252.06520	0.7
252.10165	1.2
253.07263	2.2
254.08055	3.2
256.06039	1.0
257.06693	1.0
263.05792	1.4
263.11728	0.6
264.06537	4.4
265.07239	1.1
266.08160	2.2
267.08835	1.6
268.09677	2.9
270.07529	3.1
271.08344	1.9
278.05338	0.5
278.08008	2.4
280.09659	5.7
281.06729	2.8
282.07571	5.6
283.08328	1.4
284.09210	1.2
285.06271	2.5
286.10626	0.7
291.05103	1.0
296.06384	0.7
296.09158	13.5
297.09570	0.8
298.10687	5.6
300.08649	14.7
306.07452	3.0
309.06305	4.4
312.08554	0.9
314.10178	14.2
315.10617	0.8
324.08685	8.9
327.07388	1.3
337.11880	0.9
342.09695	35.3
343.10010	1.5
360.10733	30.9
361.11035	1.2
522.13599	1.4
523.19458	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	522.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02839	0.9
52.86337	0.8
61.02910	2.2
69.03413	3.3
69.35220	4.7
73.02919	1.1
75.16610	0.8
81.03419	3.7
85.02892	13.4
85.97322	1.2
89.03890	3.3
91.03935	3.0
97.02869	3.8
103.05499	1.4
104.05780	1.0
107.04958	0.9
108.93967	0.8
109.02859	2.4
117.03380	4.5
127.03889	4.9
131.04887	4.2
135.04393	14.3
139.06831	1.0
145.02863	9.6
145.03856	1.7
145.04903	6.1
163.03886	100.0
163.06071	3.3
164.04219	1.2
181.04955	13.5
261.66840	1.0
293.25891	1.0
307.07938	4.5
325.09201	3.5
523.10425	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	522.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41648	0.5
53.17229	0.4
60.00788	0.5
69.03428	1.0
69.13924	2.5
69.14326	1.1
70.88960	0.5
74.87305	0.6
79.05473	0.6
81.03420	2.9
85.02887	1.6
89.03912	3.7
97.02869	0.5
98.28593	0.5
107.04945	1.4
109.02872	1.9
117.03362	5.4
127.03874	0.7
131.04961	0.5
133.99139	0.5
135.04393	11.6
137.95601	0.5
145.02835	7.9
147.13069	0.4
163.03891	100.0
164.04248	1.5
164.78752	0.6
181.04938	4.9
272.33929	0.6
296.05768	0.6
307.08099	3.9
325.09125	8.6
449.97015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.12511	1.3
57.03440	1.3
61.02909	1.4
65.03924	2.9
69.03425	7.8
71.43239	2.0
79.05494	2.5
81.03410	5.4
85.02904	8.8
89.03938	1.4
91.03951	2.2
91.05479	4.9
93.03410	2.8
97.02888	9.7
99.04436	2.3
105.07010	1.2
107.04962	2.0
109.02869	3.9
110.40426	1.2
111.04437	4.6
117.03382	1.7
117.05458	1.9
121.02853	3.2
127.03915	6.7
130.83638	1.2
133.06471	2.1
135.04404	4.7
137.05952	4.6
139.03876	3.6
140.04224	2.2
145.04916	4.0
149.84203	1.2
153.07561	2.3
163.03874	8.1
163.06006	4.2
164.04408	1.2
177.09224	1.3
178.02568	2.2
181.04922	2.7
191.03360	100.0
203.78864	1.1
209.04456	3.4
222.06313	1.9
224.19026	1.1
249.05602	1.9
250.05765	1.8
257.13870	2.8
277.91330	1.3
278.05188	1.2
295.06042	2.0
296.06430	3.7
317.06415	2.2
323.05362	1.7
324.05820	5.2
335.07486	6.5
353.08691	16.5
522.15723	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	522.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01859	2.8
57.01986	0.9
57.03432	6.8
61.02919	1.5
65.03950	1.5
68.99794	1.1
69.03423	6.8
69.27274	6.0
71.04987	1.6
73.02907	2.1
75.04501	2.5
79.05478	2.1
81.03405	8.3
85.02899	16.0
87.00821	7.4
91.05468	1.6
93.03381	1.5
95.04943	1.8
95.30963	1.0
97.02903	7.5
99.04452	2.8
103.05454	2.0
104.53911	1.1
105.01876	4.7
105.07021	27.0
107.04955	3.4
109.02887	6.1
111.04427	3.8
112.04829	1.0
115.11401	1.0
117.01839	1.2
122.03649	1.8
123.04398	1.2
127.03892	8.4
129.01805	1.3
133.06479	55.5
134.06816	1.3
135.04393	3.0
137.05963	100.0
138.06279	1.8
139.03935	6.5
140.04269	2.1
145.04941	3.4
159.02910	3.3
163.03915	2.3
163.07549	3.9
165.09100	34.0
166.09438	1.1
175.07542	4.1
175.11249	1.6
177.09093	1.6
181.04956	2.6
181.08588	2.4
182.05267	1.9
183.10158	22.3
189.09084	1.4
203.10597	2.1
208.69754	0.9
209.11749	1.3
221.05872	2.5
221.11679	3.7
222.06392	2.0
226.05943	1.2
228.47813	1.1
231.04926	1.4
239.06801	1.1
239.12846	3.9
244.83986	1.1
249.05466	2.2
250.05838	1.9
257.13821	72.0
258.14142	2.4
275.97058	1.2
278.05237	1.9
295.06076	2.9
296.06253	5.7
323.05505	3.8
324.05713	6.4
347.14838	2.9
538.06915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	2.8
62.98248	2.0
64.32986	0.6
67.05473	0.7
69.21867	2.8
69.22290	1.1
71.07363	0.7
75.04478	21.3
76.04813	2.6
81.07027	0.8
86.09705	12.5
87.10036	2.8
95.08633	0.7
97.15945	0.6
98.98473	1.9
104.10748	1.1
111.04435	1.1
121.29455	0.7
123.04436	1.1
124.93761	63.2
125.00005	8.4
126.00337	1.3
127.00410	1.4
135.04425	1.2
139.03905	1.5
140.04263	0.8
142.94797	12.7
153.05452	1.6
154.05846	0.8
167.97961	40.1
176.99278	1.9
181.04936	1.0
183.96234	0.7
184.07333	30.2
185.07675	10.2
185.99014	13.0
186.00554	1.3
186.07751	6.7
198.97476	2.9
222.09885	1.0
266.08945	1.0
274.10645	0.7
279.10263	0.8
280.10583	1.5
283.12827	0.9
289.98148	0.7
294.12323	1.0
295.12811	1.4
309.14850	1.2
310.15109	2.4
324.05930	0.9
325.21136	1.0
342.62900	0.7
350.04370	0.8
418.13983	1.9
447.17877	5.8
448.18329	49.4
449.18503	1.5
461.20340	13.3
462.20358	1.9
466.22073	0.8
479.21484	3.7
490.19455	5.9
504.33456	0.8
522.25671	100.0
523.26172	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	522.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74976	1.4
65.03903	1.9
67.11003	1.6
70.98271	1.8
72.53120	1.6
73.67943	1.4
79.05461	3.0
87.98615	1.7
91.05459	7.2
95.04948	2.0
107.04923	8.8
108.05764	2.2
111.04409	5.7
121.06446	2.1
129.65195	1.5
135.04393	8.6
136.05190	7.6
137.05940	4.7
138.06693	1.8
139.03893	5.8
140.04178	3.6
145.06372	2.0
148.05203	8.2
151.07524	100.0
152.07817	2.3
161.05923	2.3
163.03838	1.8
163.07576	4.2
164.08318	1.8
165.09117	11.7
166.06236	15.0
167.06999	3.8
171.08098	2.6
172.08847	1.6
173.05934	2.6
174.06754	1.7
175.07466	1.7
177.09109	8.7
179.10684	1.7
180.07799	1.7
181.04985	3.6
181.08580	77.5
182.05249	1.9
182.09059	2.3
185.43027	1.4
187.07518	2.8
188.08313	5.0
189.09090	6.3
190.09875	1.8
191.10605	3.5
193.08595	1.8
195.10120	2.7
201.09048	2.6
202.09883	6.3
203.10645	9.7
207.10089	3.4
216.11357	5.2
217.12262	10.4
219.10052	2.1
222.06310	1.6
233.11653	3.8
247.13411	8.5
257.36203	1.6
278.05103	2.0
295.05975	2.3
296.06311	5.3
323.05560	3.0
324.05917	3.7
353.17477	3.7
354.18176	5.4
370.17798	15.1
385.20050	51.2
386.20609	2.9
403.20590	3.4
426.49017	1.6
537.42151	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.01873	11.9
55.05500	13.5
57.03427	6.0
57.07073	10.1
61.02934	5.7
67.05504	16.2
68.99765	4.8
69.03423	37.1
69.07063	24.9
71.04980	7.9
73.02921	10.6
74.19599	3.4
79.05489	6.4
81.03411	32.3
81.07053	38.9
83.04983	4.8
83.08636	8.4
85.02895	100.0
85.06537	9.5
87.00829	48.9
87.04477	4.5
91.05486	8.5
93.07045	15.0
95.00095	3.3
95.04958	4.9
95.08607	38.7
97.02883	40.8
97.10181	10.4
99.04464	10.2
105.01861	43.7
105.07023	8.8
107.08594	19.5
109.02876	40.8
109.06528	5.6
109.10144	26.4
111.11693	7.9
119.08558	18.2
121.10139	16.6
123.08057	5.1
123.11727	14.3
124.20438	3.8
127.03904	67.7
127.04769	6.8
131.08528	4.5
133.10120	15.5
135.04330	6.1
135.11676	7.4
137.13252	9.2
139.03815	4.5
139.85884	3.6
145.04941	26.7
145.10081	4.6
147.11688	15.8
149.13226	6.7
151.11212	6.0
155.10683	8.7
159.02882	16.8
161.13303	8.3
163.03905	5.2
163.14798	4.8
165.12730	6.0
175.14832	5.9
179.14259	12.0
191.03339	6.4
203.17940	47.4
213.03925	6.0
221.18971	63.8
231.05006	16.0
239.16385	31.6
239.19913	28.4
249.05969	6.0
257.17438	12.5
260.09082	4.3
348.12646	4.4
453.09631	4.5
522.20837	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.5
55.05499	7.5
65.03947	12.4
66.04244	6.6
67.05491	6.6
69.76443	22.1
71.04989	11.9
74.54160	5.5
79.05493	23.1
79.32018	6.2
81.07053	71.8
85.02902	10.7
87.00845	11.0
91.05485	17.2
93.03417	18.2
93.07055	26.6
94.03761	9.2
95.04987	6.7
95.08610	26.2
98.22743	11.2
105.01878	9.6
105.07018	36.6
107.04941	16.1
107.08585	45.4
109.10157	24.9
111.04435	60.6
112.04780	19.5
112.78277	6.5
119.08554	57.9
120.05174	6.9
121.10152	7.2
123.11735	13.7
127.03904	11.7
127.11199	17.2
133.10149	25.9
135.04387	66.4
135.11693	76.6
136.04756	35.7
139.03893	100.0
140.04208	32.7
147.11751	19.5
163.03958	25.8
165.07062	13.4
166.07376	14.1
181.04922	54.1
181.06190	5.8
182.05315	21.4
185.65143	6.8
193.06369	6.2
194.07033	10.3
203.03391	8.0
203.17949	39.3
221.05943	20.9
221.19038	32.1
222.06314	19.1
225.05414	9.9
226.05716	7.1
249.05476	23.3
250.05785	39.8
253.04683	9.8
255.06575	8.8
267.06479	16.5
268.06857	14.9
277.05203	12.5
278.05399	27.6
281.04514	7.7
282.04779	14.4
295.06012	41.7
296.06281	66.5
306.04636	6.9
323.05368	37.9
324.05832	69.9
342.06641	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	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47649	6.3
53.03933	8.3
55.05504	13.8
57.33421	6.1
61.02915	11.0
65.03943	6.6
67.05486	13.3
69.03419	40.7
69.07069	29.2
70.02121	18.2
79.05492	7.1
81.03420	20.6
81.07060	29.1
83.08597	11.2
85.02907	100.0
87.00824	52.2
91.05470	11.5
93.03381	9.2
93.07065	8.0
95.08611	19.1
97.02903	31.4
97.10164	20.8
98.23392	6.5
105.01867	79.1
105.07009	9.6
109.02874	30.8
109.10157	10.7
111.04431	23.4
111.11708	10.6
112.04774	9.9
119.08558	15.3
121.10118	13.2
123.11726	11.1
127.03908	71.2
133.10117	13.7
135.04398	26.0
136.04718	9.0
136.45291	5.3
137.13243	11.4
139.03882	25.6
140.04262	14.9
141.25464	6.2
145.04962	19.3
146.56374	5.8
147.11749	14.8
159.02844	6.9
161.13297	8.8
163.03894	7.1
179.17857	9.9
181.04927	13.1
182.05322	7.8
203.17920	60.7
213.03789	6.0
221.05943	7.6
221.19006	93.8
222.06116	6.1
231.05042	20.7
232.51773	5.8
239.20078	31.6
249.05876	11.9
250.05806	7.2
277.04816	7.1
278.05338	15.4
293.15924	5.9
295.05957	10.5
296.06421	19.8
323.05573	7.5
324.05789	19.1
333.36670	5.7
365.67603	5.6
381.02078	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	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.3
56.05027	1.1
57.03418	0.4
57.07066	0.6
57.65883	0.3
58.06600	1.4
60.08161	16.1
64.86995	0.3
67.05496	1.4
69.07076	2.3
69.36864	1.7
71.07369	6.4
79.05472	0.5
81.07052	0.8
83.08610	1.2
86.09700	48.8
93.07014	0.7
95.08601	1.5
98.01338	0.4
98.22538	0.4
98.98451	3.3
104.10736	94.7
105.11089	0.7
107.08583	0.7
109.10143	0.5
111.11720	0.3
116.17014	0.4
124.99995	26.9
139.83069	0.3
163.01578	0.6
183.72919	0.4
184.07329	100.0
185.07780	0.8
200.96478	0.3
210.61746	0.3
258.11212	0.6
284.08560	0.4
326.12720	0.4
339.29050	1.3
373.02304	0.3
410.59341	0.4
445.27020	0.7
456.55609	0.3
504.34448	7.8
522.35522	23.1
523.36005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12771	0.2
55.05497	0.2
56.05024	0.7
58.06362	0.2
58.06615	0.4
60.08160	6.6
60.08467	0.4
66.81618	0.2
67.05504	0.2
68.95229	0.2
69.07059	0.3
69.52448	0.6
70.06564	0.2
71.07365	3.1
83.08595	0.2
85.74863	0.2
86.09698	31.6
87.10038	0.2
95.08581	0.3
98.98456	3.1
104.10734	2.8
113.29567	0.2
124.99993	21.9
131.15019	0.1
138.33757	0.2
146.62198	0.2
155.40994	0.2
184.07324	100.0
185.07617	0.7
200.34010	0.2
214.12480	0.2
232.46313	0.2
339.28998	0.2
504.34207	0.7
522.35394	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.9
55.05516	13.4
57.03423	12.7
67.05496	21.4
69.03429	43.6
69.07056	37.6
69.12856	25.0
69.13255	49.0
71.04964	9.8
71.73668	10.2
73.02919	15.2
73.17943	10.0
79.05482	15.5
81.03405	21.0
81.07053	38.8
83.08633	21.5
85.02897	100.0
87.00838	54.5
91.03931	13.2
91.05451	20.9
93.07053	34.9
95.08602	44.3
97.02876	27.7
97.10185	24.0
98.01495	11.2
98.44988	9.9
99.04484	13.0
99.08065	22.2
105.01845	66.0
105.07021	50.4
107.08572	73.5
109.02879	22.6
109.06435	13.7
109.10144	40.0
109.62542	10.4
111.11527	10.2
114.60622	10.5
119.08573	76.6
121.10143	43.0
123.04440	14.9
123.11678	26.6
127.03899	83.9
131.08574	37.9
133.10107	56.6
135.11682	36.7
143.08565	16.4
145.04982	24.8
145.10130	36.0
147.11693	55.8
149.13289	12.2
150.09146	42.5
157.10072	21.7
159.02859	19.3
159.11673	30.3
161.13283	23.1
163.03906	24.5
173.13206	27.9
175.14807	24.9
185.13213	16.7
187.14847	40.4
189.16389	25.1
191.18036	11.3
199.14777	16.8
201.16357	63.3
203.18018	39.9
205.15889	48.1
207.17432	14.7
219.17485	21.0
221.18979	81.2
223.16904	40.2
239.20047	29.5
293.09143	14.2
336.39844	13.6
353.11008	12.8
354.07095	12.1
355.23404	10.2
405.31461	33.7
407.32864	31.6
423.32303	20.4
425.34073	25.3
441.33670	55.8
444.15234	20.5
459.34601	20.2
490.19873	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	523.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.79413	0.2
55.01868	0.3
65.03928	1.0
67.05489	0.6
68.99770	0.3
69.68521	0.9
77.03910	0.6
79.05484	5.7
81.03413	0.3
89.03901	3.1
91.05480	2.3
93.03384	0.2
95.04977	2.3
98.22781	0.4
99.65471	0.2
103.05434	0.2
105.03391	0.3
105.04477	0.4
106.04198	0.4
107.04951	5.8
109.02901	0.3
111.04417	1.0
117.03359	2.4
119.04942	0.6
121.02842	0.5
121.10153	0.2
123.04427	6.5
125.05988	0.9
127.03873	0.3
131.04947	0.2
133.06529	0.3
134.03635	0.8
135.04411	5.4
137.02338	6.5
138.03116	10.2
139.03928	1.4
145.02849	2.5
147.04405	1.3
149.02396	0.6
149.06018	0.8
150.03143	0.3
151.03915	0.3
151.05028	0.4
153.05458	100.0
153.21753	0.2
154.05797	2.0
163.03894	22.5
164.04312	0.6
165.05504	0.5
167.03429	0.5
173.02348	0.6
177.01768	0.6
177.05426	0.7
181.04895	0.5
181.06404	0.4
191.03378	85.2
192.03763	2.4
193.04958	1.5
195.06491	0.4
196.45462	0.3
199.07472	0.3
203.03416	0.2
209.04437	3.0
209.06117	0.4
221.04489	0.4
237.05399	0.6
239.07022	0.4
241.05020	0.3
251.07037	0.3
251.61794	0.3
254.05722	0.4
255.06564	0.6
257.15125	0.7
265.04956	1.1
269.08167	0.3
271.04230	0.4
275.16199	1.6
277.24176	0.2
283.05988	3.2
289.05331	0.8
297.07495	0.9
298.08365	0.3
301.07010	0.5
311.05481	1.0
315.08557	5.5
325.07068	0.9
343.08069	3.0
361.09015	0.7
371.07584	43.2
372.07959	1.9
479.22156	1.0
491.09662	0.8
505.20355	1.9
523.12213	9.3
523.20801	5.3
524.12592	0.4
529.91809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.5
55.01885	0.2
65.03925	0.8
67.05490	0.5
68.99763	0.3
69.07047	0.3
70.48145	0.5
70.48465	0.3
77.03920	0.4
79.05480	5.8
81.03406	0.5
81.07032	0.6
85.02883	0.4
89.03900	2.5
90.83275	0.2
91.05468	2.4
93.03382	0.3
93.07014	0.6
95.04953	2.5
95.08579	0.7
105.04508	0.6
105.07030	0.5
107.04944	5.7
107.08604	0.3
109.10146	0.4
110.03645	0.3
111.04420	0.8
117.03366	1.6
119.04967	0.3
119.08584	0.3
121.10112	0.3
123.04449	1.7
125.05962	0.7
127.03899	0.3
133.02780	0.3
135.04427	1.3
137.02322	8.1
137.03323	0.3
137.05981	0.3
138.03104	10.3
139.03883	0.9
145.02844	1.4
147.04382	0.8
149.05942	0.7
153.05444	100.0
154.05733	1.8
163.03906	4.3
173.02344	0.6
181.04935	0.6
191.03363	85.7
192.03700	1.8
195.06560	0.4
206.44380	0.3
209.04385	2.2
229.66260	0.3
237.05411	0.3
265.04974	1.0
275.12527	0.6
283.05963	2.6
289.05197	0.5
311.05276	0.6
315.41476	0.3
325.06906	1.2
343.08099	0.8
371.07562	50.3
372.07898	2.3
463.09952	0.6
479.22171	1.2
491.09595	0.9
505.18652	0.5
523.12042	1.4
523.20044	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	523.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85181	0.9
52.88061	0.8
53.60024	0.8
59.46680	0.7
61.02919	1.4
67.09544	0.9
69.03415	1.3
69.82455	2.6
73.02887	0.8
97.02858	0.8
98.23558	1.0
110.60497	0.8
120.04235	1.0
121.04989	7.7
146.05980	1.6
151.06029	4.1
163.04008	1.0
167.58215	0.8
170.05766	1.1
179.05519	16.7
179.07051	1.4
188.07040	1.1
203.05307	3.3
245.06262	1.2
253.47925	0.9
301.11667	1.6
332.90546	0.9
343.12772	1.6
350.12119	1.1
404.37183	0.9
457.15579	3.9
487.16638	4.4
505.17850	5.6
523.18939	100.0
524.19330	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	523.1948
Annotation	Herpetone
Peak:m/z	Relative Intensity
50.40130	0.8
52.64183	0.9
55.05504	1.6
56.96557	2.6
62.43949	0.8
67.05506	0.9
79.05452	1.1
81.03354	1.0
81.07069	1.4
89.03905	3.8
91.05465	1.3
95.08609	1.5
98.97568	11.5
100.11240	3.9
100.80008	0.8
105.07014	0.9
105.43845	0.9
107.04952	1.3
110.35826	0.8
111.04468	1.3
112.99136	2.1
116.98610	3.5
117.03358	2.3
121.10194	1.0
123.04425	2.4
131.00198	1.3
134.99612	1.1
135.04427	5.9
145.02826	3.6
151.98109	0.9
153.05487	3.6
158.99680	2.6
163.03883	27.4
164.04221	2.0
166.08672	0.9
173.01225	1.9
177.00636	1.1
182.15417	2.8
191.02151	2.0
198.62202	0.8
199.18048	0.9
210.14810	1.8
219.01642	0.8
236.09253	1.0
244.19867	0.9
244.99648	1.8
261.05920	0.9
275.13098	1.5
285.12357	1.2
289.05139	1.7
297.12167	1.1
301.83362	0.9
305.02576	4.9
305.05222	2.1
315.08563	1.1
317.14240	2.4
335.15106	1.2
338.12228	1.0
342.09552	1.1
343.08258	1.2
353.99988	0.9
359.15277	2.6
377.16403	1.6
437.21753	1.0
479.21292	6.7
523.19476	100.0
523.28424	3.3
524.19965	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	523.1944
Annotation	Ticagrelor
Peak:m/z	Relative Intensity
67.05480	1.0
70.59621	1.4
70.59975	0.9
71.41380	0.8
75.00649	0.8
76.46417	0.9
81.07016	1.0
85.02923	1.2
95.08586	1.7
98.97584	1.9
112.99145	0.8
116.46889	0.9
131.09741	0.8
145.10129	1.1
153.05438	0.9
163.03940	2.5
231.86360	0.9
275.13400	1.1
305.02652	35.0
317.14267	1.4
437.18692	0.9
479.20404	16.4
495.17291	1.0
505.18552	1.0
523.19373	100.0
524.20062	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	523.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32869	1.1
67.05506	1.5
67.10838	1.0
69.03416	1.2
69.27244	1.5
69.27650	3.8
73.43362	0.9
75.02934	1.1
79.05472	1.1
81.07047	2.4
85.02923	2.0
87.18194	1.0
89.03910	2.8
91.05486	1.5
93.07043	1.1
95.04957	1.0
98.97572	2.2
105.07012	2.1
107.04954	1.5
112.99139	0.9
116.98653	1.2
117.03358	2.5
119.08574	2.7
123.04424	4.7
127.03858	1.0
133.10143	1.4
135.04433	4.4
136.04759	1.4
145.02869	2.4
145.35739	1.2
146.03203	1.1
148.03908	1.3
149.04266	1.0
153.05496	2.0
163.03896	19.2
164.04221	7.2
167.20454	1.0
203.03435	0.9
221.19070	1.2
257.04416	1.6
281.10037	1.5
283.05740	2.4
285.03931	8.3
296.09296	1.5
297.09506	1.7
299.05383	1.8
300.06186	2.4
301.09064	2.0
303.01462	1.5
303.04843	7.1
305.02643	8.6
311.05554	6.2
313.03223	1.0
315.10596	1.2
327.04962	2.8
328.05661	12.1
331.04379	1.8
342.09778	3.1
343.09958	3.9
345.06012	13.1
346.06766	6.2
360.10489	1.5
361.09100	68.2
362.09598	2.7
412.08749	1.1
479.20529	10.9
505.20380	1.4
523.20026	100.0
524.20544	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	523.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46078	0.6
55.85470	0.7
65.03925	0.9
67.05494	0.9
69.20801	2.5
69.21207	1.6
78.39272	0.6
79.05466	1.7
80.78532	0.7
85.02863	0.8
89.03915	3.8
90.04227	1.4
91.05481	1.5
95.04946	1.5
98.23476	1.0
98.97536	1.6
105.04501	0.7
107.04933	1.9
117.03362	5.6
117.71374	0.7
118.03692	1.6
120.04502	1.1
123.04420	11.5
124.04746	3.8
126.88641	0.7
135.04405	8.2
136.04753	2.9
139.03970	1.1
145.02840	5.3
146.03152	3.1
147.04349	0.9
147.71854	0.7
148.03885	6.0
149.04466	2.4
150.05081	1.1
153.05441	2.4
163.03889	43.4
164.04227	20.0
165.04381	0.7
165.07057	0.7
172.03944	1.1
176.07069	2.3
177.05522	1.2
177.07368	0.9
178.04904	0.9
181.05078	1.0
185.04192	0.8
191.03320	1.8
204.06633	1.0
205.06834	1.0
225.07542	1.0
227.05717	0.8
237.07509	0.8
238.08270	0.9
253.07176	1.2
254.07802	1.2
255.08536	1.5
264.06406	1.2
265.06937	1.7
266.07813	0.8
267.08548	1.3
271.08020	1.0
274.37558	0.7
275.16217	1.7
279.08551	1.0
281.06970	0.8
281.09995	1.8
282.07443	1.9
283.07944	2.1
285.06186	0.8
289.05270	1.7
296.09106	2.8
297.09567	5.1
298.10345	1.0
299.11038	2.3
300.08603	4.6
301.08926	5.2
305.02640	1.5
309.06393	1.7
310.06659	1.8
314.10239	3.3
315.10715	4.0
324.08636	1.1
325.08902	4.3
342.09671	7.1
343.10065	14.4
360.10724	6.7
361.11136	13.0
363.12021	1.7
419.20367	0.8
437.21375	2.0
461.21188	2.0
479.20816	10.9
505.20337	3.9
523.19574	100.0
524.19922	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	523.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11313	3.0
58.89689	3.6
60.29683	3.7
69.23333	8.6
69.23735	15.2
84.37716	3.3
86.09698	5.8
91.05463	4.1
95.08629	3.2
137.05960	7.6
150.64119	3.5
155.21814	4.1
184.07343	8.9
189.12733	6.0
202.07684	3.9
210.97556	5.8
214.79657	4.7
215.08650	4.2
219.10101	26.4
227.08694	5.7
228.09390	6.7
229.10040	32.9
240.04982	4.3
249.09071	4.2
255.08015	4.1
256.08722	4.0
257.09592	39.9
259.07489	6.2
275.10559	5.8
277.08521	42.1
285.09055	100.0
286.09299	6.0
301.08575	15.4
302.09262	4.2
303.10110	98.0
304.10721	12.2
313.08563	12.6
315.10172	7.6
331.09619	96.5
332.10254	40.4
375.14154	4.3
393.15045	3.9
403.13376	8.2
421.14233	13.3
439.15512	21.9
449.13672	7.6
459.19736	4.4
467.14636	8.9
477.20740	20.0
479.38547	3.7
490.17538	4.1
495.21362	6.4
505.19922	42.3
506.20044	4.0
523.21106	37.7
523.29572	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	523.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.3
65.03926	1.0
69.07069	1.1
69.17544	1.1
69.23224	5.9
70.06606	1.3
79.42313	1.1
79.97955	0.9
83.08620	1.4
85.02911	1.1
85.52768	1.1
89.03961	1.7
91.05486	2.5
95.08643	1.2
99.78603	1.0
100.11272	2.0
107.04929	2.2
111.04436	4.1
112.04808	1.1
117.03396	1.4
123.04471	1.6
126.05501	2.2
135.04408	5.6
139.03867	5.3
140.04277	1.9
145.02818	1.3
153.05492	1.3
154.12317	1.4
163.03882	10.1
164.04269	4.3
181.05002	2.4
185.04166	1.3
191.03488	1.2
199.99394	0.9
203.05345	1.5
210.14940	1.2
222.06392	1.3
229.08167	7.0
236.04623	1.0
243.04738	2.2
245.06239	10.6
270.07397	1.2
287.03732	5.5
289.05283	100.0
290.05792	1.9
296.06332	1.8
297.06662	2.3
323.05588	1.1
324.05731	1.6
325.06824	3.1
479.22427	3.8
523.12817	1.9
523.21399	38.3
524.21997	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68012	1.0
51.02386	1.9
53.03942	1.1
55.01866	1.8
59.21281	0.9
65.03922	4.0
65.61511	0.9
67.05515	5.3
68.99780	0.9
69.03418	1.5
69.07070	0.9
73.13198	0.9
77.03922	2.7
79.05483	5.5
81.07040	1.8
85.02880	1.9
89.03900	3.5
91.05489	8.4
91.19175	0.9
92.78896	0.8
93.03383	1.5
93.07014	1.4
95.04951	7.0
95.08591	1.5
98.97633	1.0
105.03369	3.3
105.04477	2.0
105.07100	1.2
107.04935	6.3
107.08588	1.1
109.06506	1.6
109.10123	1.0
111.04427	11.1
117.03371	2.7
119.04910	6.5
119.08602	1.5
121.10152	2.1
123.04422	42.5
125.05914	2.0
131.04919	1.6
133.02817	1.8
133.10065	1.9
134.03613	1.3
135.04411	15.9
135.08017	2.7
136.52910	1.0
137.05978	1.2
139.02866	1.3
139.03893	18.3
141.05438	1.6
143.08630	1.3
145.02831	3.6
145.10066	1.7
147.04396	3.8
149.02330	1.6
150.03056	1.8
151.03902	1.6
151.05022	3.9
153.05453	96.0
154.05788	2.3
157.10124	1.2
159.04446	1.4
159.11633	1.1
163.03891	29.9
164.04337	2.2
165.05498	2.9
167.03394	2.7
173.02290	1.0
173.13196	2.1
177.05452	3.5
179.03354	1.2
181.04976	6.3
191.03374	100.0
192.03705	3.0
193.04993	2.6
208.05214	1.0
209.04346	1.0
212.04778	1.1
236.04686	1.0
237.05443	2.7
238.06276	1.9
240.04137	1.7
249.05449	1.1
253.04968	1.6
254.05811	1.2
255.06512	4.5
257.19019	2.5
264.04120	1.4
265.04797	1.6
269.07855	1.3
275.20016	2.1
279.06436	2.7
282.05286	1.6
283.05954	6.7
289.05280	6.9
293.04547	2.3
294.05121	1.3
297.07504	2.7
305.02628	1.2
305.61105	1.1
310.04779	4.3
315.08582	3.9
325.07031	20.7
343.08081	34.3
344.08344	1.5
345.52753	1.0
371.07614	16.3
479.22073	3.6
523.12103	71.5
523.20325	31.5
524.12360	6.6
524.20026	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69703	0.5
65.71297	0.4
70.31789	1.0
85.18537	0.4
93.54298	0.4
98.22704	0.5
102.76153	0.5
166.78159	0.4
176.28590	0.4
191.70721	0.4
237.30998	0.4
315.82660	0.5
361.23441	0.5
521.43597	0.5
523.28741	100.0
524.28979	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	523.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01854	1.0
55.05506	19.0
57.03431	3.8
67.05489	2.8
69.03416	2.2
69.07034	1.5
69.16232	4.7
71.04984	1.3
79.05489	6.9
81.07051	16.2
83.04974	41.3
85.06547	1.1
91.05474	20.2
93.07023	8.9
95.04960	7.7
95.08587	4.2
97.06512	2.2
99.04465	1.0
101.05991	1.0
103.05463	1.1
105.07020	28.4
105.07735	1.4
107.04939	1.5
107.08598	10.2
109.06537	3.4
109.10136	1.2
113.05882	0.7
115.05422	3.8
116.06207	1.7
117.07006	13.5
119.07755	1.0
119.08571	12.8
121.06501	5.0
121.10133	2.4
123.08041	1.9
125.05898	0.8
128.06213	10.7
129.06995	15.5
130.07809	4.4
131.04948	0.9
131.08562	23.0
133.06461	3.2
133.10120	9.7
135.04315	0.7
135.08026	3.2
137.05922	1.1
141.06941	4.0
142.07779	9.2
143.08549	45.3
144.09161	1.2
145.06422	3.3
145.10110	73.4
146.10535	1.5
147.08066	5.0
147.11632	2.9
149.09601	11.3
151.07524	2.2
153.06938	3.5
154.07773	1.9
155.05901	1.1
155.08531	18.7
156.09346	6.4
157.10106	24.3
158.07251	1.9
159.08054	2.2
159.11691	10.7
161.06061	0.8
161.09612	20.1
161.13257	3.4
162.10028	0.9
163.11188	1.0
165.06982	6.2
166.07646	0.8
167.08531	1.6
169.10110	4.9
170.10880	2.7
171.08051	5.7
171.11676	8.6
173.09602	35.5
174.10161	1.7
175.11165	4.0
175.14734	3.7
180.09375	7.1
181.08556	1.9
183.08180	0.9
183.10114	2.7
183.11690	2.7
184.12498	0.8
185.09602	2.1
185.13246	32.2
187.11208	5.0
189.09068	2.2
189.12709	4.4
191.10661	4.3
195.09991	1.5
195.11676	17.4
198.10390	1.7
201.12781	5.5
203.14282	16.1
203.16046	1.4
205.12247	0.7
212.39886	0.8
213.12726	43.2
214.13031	1.7
218.54210	0.8
219.13731	1.5
221.15341	0.9
231.13776	100.0
232.14113	2.9
247.32281	0.7
249.14856	6.7
305.17404	3.3
323.18518	3.8
366.83743	0.7
470.48520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
54.10178	0.5
55.01855	1.8
56.34088	0.5
57.03431	9.0
61.02919	3.3
63.97814	0.5
68.99782	1.3
69.03424	18.4
69.03995	0.8
69.41808	0.5
70.35727	1.2
70.82643	0.5
71.01337	2.6
71.04997	1.1
73.02910	19.0
81.03410	8.8
83.04964	1.7
83.09180	0.5
85.02897	23.0
87.00817	4.8
87.04449	0.6
88.03789	0.6
90.03432	2.9
95.04925	0.6
97.02893	14.5
98.99992	2.2
99.04433	2.3
103.03956	3.5
105.01864	5.1
107.04896	0.8
109.02875	10.6
111.04439	2.3
115.03918	5.5
120.39191	0.6
123.04379	0.9
125.02332	1.2
126.01063	56.7
126.05518	1.9
127.01829	1.9
127.03916	14.7
127.04849	0.8
128.02637	0.8
128.77463	0.6
129.01819	2.4
139.03909	0.5
144.02104	100.0
145.02467	1.7
145.04936	4.0
147.02873	2.2
147.06512	0.7
151.03865	0.9
159.02885	2.7
161.12645	0.5
169.05000	1.5
181.04941	2.7
187.05998	1.6
189.03915	4.9
199.06003	0.8
211.05940	0.7
213.03894	1.2
213.11226	1.0
215.05548	0.7
217.07048	1.0
223.06023	1.6
231.04956	3.8
233.06647	1.0
241.07043	2.0
249.05972	0.7
255.84634	0.6
259.08258	0.7
273.05991	2.6
306.07413	4.4
309.06235	0.5
356.05457	0.7
374.06308	1.5
392.07373	44.2
393.07730	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
63.80899	0.4
65.03931	2.6
67.05500	1.0
69.03413	1.6
70.19087	1.1
74.11875	0.4
79.25288	0.5
81.03411	5.0
82.04179	0.6
83.66444	0.4
85.02915	3.2
93.03371	1.6
95.04954	1.6
95.43177	0.4
97.02851	1.2
97.06547	0.9
99.04454	0.6
103.82427	0.4
105.04572	0.4
109.02856	1.2
109.06559	0.4
110.03658	1.5
111.04439	0.8
119.04944	0.9
120.27125	0.4
123.04429	1.4
125.05947	1.2
127.03875	0.8
131.04918	0.7
138.03130	1.3
140.04686	6.0
142.02618	1.1
147.04407	2.9
153.05458	4.6
153.29366	0.4
155.07005	2.6
171.06523	4.0
181.04941	100.0
182.05322	2.0
188.94626	0.4
199.06007	7.8
199.07684	0.8
275.85315	0.5
323.37549	0.5
325.09097	5.5
343.10202	7.3
525.22748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21126	0.5
58.78230	0.5
60.25687	0.6
65.03930	4.2
67.05489	2.0
69.03419	1.6
69.43780	1.9
70.06543	0.6
81.03403	4.0
82.04204	1.6
85.02892	3.7
91.05466	2.5
93.03377	1.2
95.04964	2.6
97.02856	0.6
97.06516	1.3
107.04950	1.7
108.02058	0.6
108.28605	0.5
109.02857	1.3
110.03629	2.4
111.04369	1.0
119.04926	2.6
120.04439	1.7
122.21222	0.5
123.04418	6.3
125.05988	1.2
127.03893	1.2
136.03238	0.5
136.07556	10.5
138.03090	1.5
140.04672	3.8
142.02646	0.7
144.02060	1.6
147.04362	1.9
153.05457	2.7
155.06982	1.7
165.05461	6.8
166.04935	3.2
171.06483	5.6
181.04935	100.0
182.05412	2.7
182.08087	10.2
199.05954	2.7
202.06059	0.8
224.09088	0.9
272.09164	0.8
290.10147	0.7
325.09155	5.8
343.10263	2.3
439.15631	1.0
481.16772	4.1
524.17780	1.1
525.15747	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	524.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
69.03428	1.6
69.06496	5.7
72.10634	0.8
81.03403	5.1
84.29852	0.8
85.02892	3.1
91.05457	2.3
95.04960	1.3
97.02875	5.6
103.05461	27.9
109.02890	2.4
115.10836	0.9
117.03374	1.0
127.03928	2.1
131.04918	100.0
132.05232	1.5
135.04388	1.4
137.05989	3.7
145.02852	1.6
146.10536	0.9
147.04416	3.1
149.05984	9.0
151.03877	2.3
157.58455	0.9
163.03871	6.4
275.09109	5.4
289.05176	2.0
293.10239	6.6
325.00317	0.9
439.23141	2.3
481.23904	2.7
507.22321	1.4
524.21649	2.4
525.23151	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	524.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07545	14.8
78.46146	3.3
85.02905	15.2
86.40711	3.2
94.88685	2.7
97.20958	3.4
99.04424	14.8
103.03928	31.6
103.05450	9.5
105.07013	5.3
105.39199	2.7
107.04950	3.7
122.03644	4.3
127.03902	22.9
131.04927	10.9
133.06465	17.3
135.04446	3.6
135.08026	4.5
137.05963	100.0
145.04958	16.5
147.04408	3.2
163.03900	6.4
163.06001	14.8
163.07533	25.0
191.32500	3.0
192.06607	8.5
195.60976	2.8
254.35872	2.8
266.04956	3.0
289.05283	8.2
295.13367	13.2
327.15967	17.7
506.14536	3.2
520.41461	3.5
524.21521	8.1
525.13452	10.5
525.22742	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	524.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
55.05499	9.3
56.89272	1.4
57.03418	2.3
58.33103	1.4
65.03918	2.1
67.05491	12.5
69.07055	4.8
69.85435	3.4
69.85818	3.2
71.04989	4.2
79.05093	2.0
79.05488	17.2
81.07057	24.8
81.07519	2.9
83.04975	20.1
85.06528	3.2
91.05473	46.0
93.07034	22.2
95.04958	12.2
95.08607	13.0
97.06517	4.7
98.23455	1.7
103.05444	2.2
105.07021	73.6
107.04945	1.8
107.08588	18.8
108.08092	4.6
109.06525	7.6
111.08035	2.2
115.05445	6.0
116.06220	2.2
117.07001	36.4
119.08572	49.9
121.06520	9.5
121.10121	6.0
123.08045	3.8
123.11755	1.6
128.06227	4.4
129.07001	21.9
130.07808	2.6
131.08556	66.1
133.06480	4.0
133.10107	45.0
135.08049	4.7
135.11682	4.7
141.06964	4.9
142.07758	27.3
143.08607	12.2
144.09343	4.3
145.06474	2.3
145.10106	44.0
147.08046	4.6
147.11679	33.4
149.09587	3.9
149.13220	2.0
151.11165	2.7
155.08569	11.9
156.09337	2.7
157.10106	61.6
159.08018	6.3
159.11678	44.6
160.08800	1.8
161.09613	16.9
161.13248	7.0
163.11169	4.3
163.14758	3.9
167.08565	3.3
169.10100	5.1
171.11618	5.6
173.09550	5.7
173.13263	12.7
175.11172	100.0
176.11519	2.8
177.12680	9.4
177.16338	2.6
182.10921	3.7
184.22467	1.7
187.11197	3.3
187.14775	28.0
191.14267	6.5
193.12207	2.0
197.13239	15.7
203.14230	2.9
205.15733	2.4
215.14285	42.5
233.15341	23.8
235.13116	1.9
246.18445	2.6
264.19507	2.2
275.16113	1.6
293.17355	4.8
324.21619	21.5
406.24289	1.7
406.42221	1.5
408.46558	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56982	6.5
55.05500	25.5
56.79929	7.3
57.03416	9.0
67.05498	14.6
69.07023	9.2
79.05493	16.9
81.07047	39.9
83.04977	27.8
85.50854	7.0
91.05479	26.8
93.07021	45.5
93.41591	6.6
95.04961	100.0
95.08595	34.0
105.07014	65.7
107.08580	38.5
109.06499	8.1
109.10145	8.7
117.06992	18.8
119.08572	58.1
121.06499	11.2
121.10162	10.8
129.07068	10.0
131.08563	44.6
133.10143	24.3
135.08075	13.7
142.07770	25.8
143.08540	7.0
145.10103	57.5
147.11676	62.8
149.09641	16.1
157.10072	85.3
159.11609	38.2
165.12694	8.1
171.11771	11.7
173.09583	9.6
173.13219	19.1
175.11191	86.6
182.10953	12.6
187.14801	31.8
193.12192	11.2
197.13257	20.6
205.15884	13.9
213.08208	7.2
215.14262	72.3
233.15331	62.7
272.86429	7.8
282.66400	7.8
303.55566	7.6
352.16272	6.9
388.17123	7.8
409.37213	8.0
547.52533	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	524.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94256	4.6
55.05503	11.6
57.07097	6.2
71.43848	5.4
80.52808	5.7
81.07054	11.5
83.04971	25.1
91.05482	12.1
93.07037	16.3
95.08610	11.7
105.07027	26.0
107.08591	12.4
117.07001	15.2
119.08579	11.4
121.10159	11.4
131.08586	15.5
145.10107	79.1
159.11708	29.4
161.13281	8.5
173.13275	9.2
184.07373	9.4
192.07516	5.4
201.16360	100.0
202.16428	5.6
257.46140	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	524.371
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05496	0.7
56.05022	1.1
57.03424	0.4
57.07071	3.1
58.06598	1.5
59.07373	0.5
60.08156	17.9
67.05481	0.8
69.32010	1.7
71.07368	6.9
71.08617	2.0
81.07046	0.8
83.08576	0.4
85.10169	0.8
86.09695	48.8
87.10018	0.5
87.77807	0.3
95.08583	1.0
96.64542	0.3
98.98457	4.6
104.10731	100.0
105.11091	0.9
124.99989	28.6
163.01552	0.6
181.02533	0.4
182.68089	0.3
184.07320	97.8
185.07654	1.1
196.93517	0.4
258.11002	1.3
341.30521	1.2
506.35931	8.5
524.37042	25.1
525.37280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
59.74862	0.5
62.73596	0.4
65.03936	0.6
66.04730	0.5
66.32359	0.4
70.69935	0.4
73.52773	0.4
79.05475	2.1
81.07053	1.1
89.03912	6.3
91.05470	2.0
93.79236	0.4
94.04185	0.8
95.04987	0.7
95.08607	0.4
100.11263	0.5
102.10171	0.4
102.36823	0.4
107.04948	2.7
111.04461	1.1
117.03370	7.4
119.04935	0.6
120.17030	0.4
135.04410	18.1
137.02361	0.7
137.05975	11.0
139.03902	1.6
145.02840	12.0
150.03114	1.3
163.03896	100.0
164.04268	1.9
165.05469	27.3
181.04938	0.6
182.15309	0.4
204.68771	0.4
267.06570	0.7
277.08502	2.3
285.07678	0.5
289.05267	0.9
299.08972	0.7
338.38635	0.4
481.24307	0.8
517.79974	0.4
525.22296	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	525.1578
Annotation	Pityriarubin B
Peak:m/z	Relative Intensity
57.03431	1.2
63.72654	1.0
69.03419	1.3
69.47181	5.6
79.01639	1.2
83.14410	1.1
85.02900	1.7
114.59244	1.3
119.14725	1.1
126.01089	2.5
141.05244	2.8
144.02126	4.3
163.72275	1.1
181.04887	1.2
185.04201	2.2
195.40977	1.2
199.05705	1.5
202.05995	4.3
203.06747	1.1
227.05275	2.3
251.83430	1.1
271.04260	1.5
277.10455	3.4
282.83917	1.2
305.09906	2.2
373.72211	1.1
393.07916	1.2
393.15091	1.2
417.13477	1.3
439.15656	10.9
481.16772	76.3
482.17114	2.7
507.14627	1.8
525.15747	100.0
526.16083	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	525.2103
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
56.96561	2.1
69.14333	6.2
69.14754	2.1
78.59325	1.2
81.07043	3.1
83.04969	2.0
83.08541	1.2
83.43754	1.2
91.05487	1.4
93.07056	2.3
98.97575	8.7
105.07043	2.6
107.08548	2.3
116.31218	1.3
116.98602	4.0
119.08544	2.9
120.62104	1.4
121.10210	1.5
129.30984	1.2
134.99634	1.3
137.05959	4.2
138.06328	2.0
147.11626	1.9
157.53940	1.3
163.14806	1.6
173.01285	2.1
177.00713	2.6
183.11708	1.4
229.12166	1.4
267.13016	1.2
277.17743	1.6
278.18207	1.7
305.02664	9.9
319.15826	4.3
337.16656	2.4
345.16992	1.4
352.21735	1.5
384.24612	1.8
439.20065	10.7
457.21173	9.7
481.21991	8.1
507.20056	1.8
525.20880	100.0
525.31006	5.5
526.21130	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2102
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
61.37915	8.0
96.04958	8.1
98.97584	13.5
116.98576	10.0
126.05453	10.3
148.11032	7.8
152.71626	8.3
154.05931	7.7
163.03867	11.4
261.09064	9.8
289.05276	29.6
295.07938	20.3
408.59781	8.6
411.40338	8.7
439.20023	12.5
453.12653	9.1
507.20337	9.8
525.21118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	2.0
58.06618	1.0
60.08159	9.8
68.99794	1.0
69.03423	1.1
69.07065	1.4
69.28068	5.2
71.07364	3.2
71.08601	1.2
79.05497	2.6
85.10170	1.4
86.09696	26.5
87.10030	1.5
89.06015	1.5
90.65919	0.8
91.05473	4.2
95.08597	1.2
95.83445	0.8
98.98465	2.7
104.10732	47.9
105.07035	3.5
105.11111	3.3
107.08607	5.7
109.02917	0.9
109.06512	3.5
115.05498	2.6
117.06990	4.4
119.08559	1.9
121.06550	1.6
124.99996	14.1
126.00428	0.9
133.08556	1.0
135.08046	8.4
141.07011	2.3
143.08580	1.9
145.06487	14.9
155.08536	2.0
159.08040	1.8
161.05937	5.1
163.07530	7.1
168.09406	1.5
169.06438	12.1
171.08060	1.3
173.05952	2.8
176.75262	0.9
178.07713	5.7
179.08501	2.5
183.11646	1.7
184.07323	48.6
185.07674	4.1
187.11272	1.0
189.05412	2.4
189.07043	2.8
190.07765	14.9
191.06995	39.4
192.09290	8.4
193.10088	6.9
195.07797	1.0
201.12701	5.7
202.07709	6.8
203.08514	2.6
203.10342	0.9
204.09370	2.7
205.10130	21.5
205.12090	1.6
206.07321	2.1
207.07939	1.2
207.11682	4.7
209.09607	1.2
211.11157	2.6
213.12761	2.4
215.08556	3.4
216.09399	1.9
217.10158	5.8
218.07288	4.1
219.08092	2.5
220.08797	3.0
221.09528	5.0
223.07529	2.2
229.12210	12.9
231.08133	1.6
232.08742	1.1
233.09587	39.8
233.11456	1.6
234.09975	1.5
235.11127	7.4
241.12364	1.2
244.08928	1.2
245.09566	14.4
245.11774	1.4
247.13318	8.8
249.08968	4.8
251.10666	1.7
257.04211	1.1
259.11166	1.8
261.09085	76.5
262.09647	3.0
263.10599	6.7
264.11057	1.2
267.10233	3.3
273.09113	8.4
274.09894	3.3
275.10623	11.4
277.08600	2.3
277.12109	1.0
278.09409	1.2
279.10132	32.7
287.10818	2.5
291.10114	100.0
292.10541	3.9
293.11691	2.1
362.12952	1.2
423.16187	1.0
433.14383	2.6
443.20291	0.9
461.20981	3.3
462.64044	1.1
479.22086	2.4
489.20462	4.2
506.35794	2.9
507.21555	7.6
507.36295	1.4
508.55051	1.0
524.37073	8.0
525.23529	6.7
525.37244	7.5
531.14410	1.0
548.32861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54679	2.1
60.08164	3.8
66.69527	2.2
67.05499	2.5
69.99609	2.3
70.61568	2.6
71.07357	4.1
71.45358	2.0
76.87917	2.3
81.07044	2.4
83.04964	2.7
86.09708	14.0
87.10049	8.8
88.10392	2.5
93.07027	2.7
95.90719	2.1
97.02974	2.0
104.10726	2.6
109.02895	3.4
111.04456	3.3
124.99950	12.2
126.00339	3.1
179.07037	4.8
184.07333	46.6
185.07642	18.7
186.07762	18.4
195.08063	4.3
202.07761	2.7
215.08546	2.5
216.09261	5.6
217.10213	3.0
219.10030	5.0
223.07591	3.8
229.12277	5.3
231.08192	3.2
231.11728	4.1
233.09607	3.6
235.11172	2.9
241.10146	3.9
245.09573	4.2
259.11209	10.2
263.10706	3.5
269.09610	3.3
273.09149	2.9
276.57382	2.6
277.08563	6.4
277.12466	2.2
279.10117	5.3
285.09494	2.7
285.12640	3.7
287.10452	14.0
303.10141	4.5
305.11664	20.1
306.12637	3.6
313.12140	3.6
315.10220	3.9
333.11172	97.8
334.11948	16.5
367.13126	2.8
369.18491	3.4
377.15274	2.8
395.16440	4.5
405.14948	3.9
408.13654	3.4
413.54764	2.6
423.16129	12.2
440.16113	2.9
441.16998	8.4
451.15421	6.1
469.16589	4.5
479.22275	17.0
481.21011	2.7
496.22150	3.3
497.23340	15.5
507.21786	30.8
508.22214	2.3
525.22638	100.0
526.23035	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	525.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60133	2.6
55.01865	3.5
55.05507	10.2
61.78464	2.7
67.05497	11.0
67.25817	2.6
69.03421	13.4
69.07059	8.1
69.11209	9.4
69.11633	10.1
71.04982	4.4
79.05476	16.7
81.03419	9.0
81.07057	28.7
82.16575	2.9
83.04966	12.1
83.08614	6.5
85.02889	6.5
85.06547	6.1
87.00838	4.3
91.05480	15.0
93.07037	29.0
95.04942	6.7
95.08588	20.6
102.24534	3.1
105.07021	25.0
107.08581	21.2
109.02898	4.4
109.06541	4.5
109.10152	21.5
111.08099	3.9
113.09679	6.0
117.07018	3.3
119.08563	27.4
121.06531	7.1
121.10138	32.6
122.07294	3.9
123.08054	3.8
123.11725	10.1
125.09646	6.4
127.03912	4.7
131.08554	7.5
133.10124	51.4
135.08005	7.0
135.11703	10.2
137.09601	40.0
139.11150	6.6
145.10139	9.2
147.08009	6.3
147.11679	9.6
149.02385	3.7
149.09581	6.6
149.13197	7.6
151.11198	16.9
157.10133	4.7
159.11736	4.1
161.09645	8.4
161.13257	5.1
171.41542	2.7
175.14830	27.8
189.12682	3.6
201.16417	4.6
203.14279	8.3
203.69611	3.2
206.11406	2.5
217.15871	4.6
217.19604	2.9
219.17513	3.6
241.19521	5.6
259.20593	39.2
277.21600	100.0
278.21997	3.8
360.07666	3.4
481.23907	3.7
502.97211	3.1
525.21191	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	526.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
53.22004	2.7
55.01890	3.5
57.03431	3.1
61.02933	3.6
65.03925	3.7
69.03421	10.9
69.07066	2.8
73.53738	2.5
75.04486	4.3
81.03416	16.4
85.02898	34.0
86.26082	2.8
87.00822	16.1
91.05476	100.0
93.07041	3.8
97.02898	25.2
98.23452	13.3
99.04445	9.1
105.01875	15.1
106.18906	3.5
109.02872	24.3
127.03889	41.2
129.01863	3.9
138.83267	2.6
145.04936	15.7
151.03857	9.1
159.02872	8.5
160.49406	2.8
163.03896	16.7
182.08150	3.2
183.02875	4.7
185.73970	3.1
213.03987	3.6
229.41029	3.9
231.04941	6.3
233.49818	3.5
285.07513	7.1
291.07227	3.3
390.11823	4.3
393.10019	3.1
482.24472	5.3
483.25491	3.9
525.22308	6.5
525.30280	4.4
526.22394	20.3
526.30560	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	526.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01868	1.4
55.05514	2.0
65.03922	2.6
67.05479	1.3
69.03416	2.6
69.61378	1.0
69.61713	4.3
70.06602	4.7
74.04790	0.9
76.00023	1.0
81.03423	5.6
81.07021	1.0
83.04972	3.4
85.02921	2.5
91.05499	2.5
92.75414	0.9
93.03404	2.5
97.02869	3.0
100.11272	2.2
108.02010	1.6
109.02906	3.2
111.04410	4.6
117.03339	1.4
119.04903	1.2
120.08131	1.0
124.07599	2.6
125.05990	4.4
127.03916	1.7
135.04405	1.7
141.05533	1.0
145.02808	1.8
147.04439	2.5
151.03900	100.0
151.04965	5.6
152.04257	2.0
163.03896	3.6
166.08696	2.4
169.04944	13.1
172.03905	1.1
177.05492	2.2
182.15291	1.5
190.04996	3.0
192.96248	1.1
201.08995	1.0
204.06566	2.3
210.14929	1.3
219.02931	1.5
251.11679	1.1
265.09634	1.4
272.82828	1.1
289.05240	1.2
295.08136	7.8
313.09024	5.4
318.16968	5.2
325.11786	4.3
339.81845	1.0
353.11200	2.0
482.24179	2.1
494.19119	3.8
508.21915	1.6
525.36237	1.5
526.23419	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	526.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
57.03433	0.7
57.24910	0.3
65.03938	1.9
69.03428	2.3
69.81815	0.7
69.82175	0.6
71.04977	0.6
81.03406	4.9
85.02895	4.0
85.06538	2.8
89.06033	0.8
91.05470	0.6
91.42361	0.3
93.07036	0.4
95.04957	6.4
97.02883	3.8
99.04470	0.8
100.11214	0.5
105.07016	0.4
107.08607	0.4
109.02876	3.2
111.04447	2.0
119.04916	0.4
119.08538	0.4
121.02855	100.0
122.03208	1.5
127.03891	1.8
131.08551	1.6
133.08623	0.4
139.03888	16.3
145.04962	0.7
145.10144	0.9
147.04422	2.1
149.09616	1.6
160.87102	0.3
162.91154	0.4
163.03923	0.4
167.10712	0.7
191.10667	1.7
209.11684	3.1
227.12773	5.0
247.06042	1.0
265.07022	7.4
283.08102	20.1
284.08429	0.7
289.05139	0.4
456.65787	0.4
526.23193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54475	1.3
53.03944	5.2
55.01874	5.0
55.05507	5.1
57.03437	16.7
61.02918	7.7
67.05492	4.2
68.99786	5.5
69.03426	49.9
69.07055	14.1
69.12660	8.1
71.01343	4.3
71.04982	4.2
73.02911	22.0
75.04474	1.8
79.05502	2.7
81.03410	24.4
81.07085	1.6
83.04970	6.6
85.02898	100.0
87.00823	40.0
87.04482	1.6
91.05480	1.6
93.03432	1.7
95.04939	3.2
95.08633	3.1
97.02886	63.1
97.77088	1.3
99.04453	14.1
101.02398	3.2
103.03933	13.7
105.01859	65.9
107.04962	1.3
109.02870	31.2
111.04444	7.5
111.11729	1.5
115.03923	9.2
123.04440	8.1
125.02357	9.1
125.06017	1.9
127.03905	73.7
129.01846	7.0
129.05470	2.4
132.06535	1.8
135.04462	2.1
137.02361	2.3
139.03914	5.0
145.04964	26.9
147.02898	8.0
147.04387	1.9
147.06508	3.0
150.07574	2.6
151.03885	10.1
153.01872	1.7
153.05501	2.6
159.02902	5.0
163.03934	4.8
163.63402	1.3
165.05493	2.4
169.05019	5.0
171.02878	5.4
171.06604	2.2
175.03925	1.6
177.05469	4.6
181.04956	8.7
187.05984	3.8
189.03922	23.3
189.23680	1.3
193.04991	4.2
195.06577	1.4
199.06049	4.5
205.04906	2.5
211.06062	2.3
213.03938	8.5
215.05507	3.3
217.07074	3.1
219.13873	1.8
220.64764	1.6
223.06003	14.5
231.04962	22.9
233.06554	3.6
241.07036	15.6
249.05966	15.3
255.04836	1.9
259.08057	1.8
261.06036	2.1
273.05978	21.9
309.05988	3.2
327.07135	9.6
345.08182	4.6
363.09119	7.2
377.10083	1.5
470.87167	1.5
526.23413	8.1
527.24371	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01864	0.7
55.05502	1.4
59.14674	0.5
65.03933	2.1
67.05515	0.9
69.03425	2.4
69.39246	2.5
70.06596	6.0
71.04992	1.2
77.03864	0.5
81.03410	7.3
82.06608	0.6
83.05003	0.6
83.08611	1.7
85.02901	3.2
91.05472	2.6
93.07053	0.9
95.04962	5.9
95.08599	4.0
97.02889	4.8
97.06532	2.0
99.04414	1.0
99.08112	0.5
100.11256	4.4
105.07014	5.3
107.08577	1.1
109.02880	4.1
109.10170	0.8
111.04431	1.8
117.07014	0.6
119.08573	1.3
121.02861	100.0
121.10170	1.3
122.03199	0.8
127.03954	3.1
128.07111	0.6
130.50453	0.5
131.08556	3.4
133.10121	79.3
134.10475	1.3
139.03893	18.2
141.11433	0.7
143.08557	0.6
145.05019	0.7
145.10127	2.0
145.88754	0.6
147.04294	0.7
149.13225	1.0
158.10928	1.6
162.82349	0.6
163.03915	1.4
173.13255	20.0
176.74506	0.7
182.15376	2.8
191.14299	13.1
191.15952	1.0
197.87309	0.5
199.15071	0.5
209.15228	0.7
210.14839	3.4
227.17622	0.6
265.07074	9.8
273.82025	0.6
283.08105	13.5
289.05560	0.6
430.64462	0.6
452.65887	0.5
453.83429	0.7
508.22290	0.6
526.13977	29.5
526.22632	2.6
527.14197	1.2
527.21240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02814	3.1
55.05503	10.7
57.03422	4.7
65.02839	3.3
67.05498	10.5
69.03445	4.8
69.92639	11.5
79.05497	9.3
81.07038	14.4
83.04975	16.6
91.05466	35.9
93.07022	20.1
95.04960	78.7
95.08598	8.9
97.06500	3.7
101.05971	3.7
102.90094	3.7
105.07018	67.3
107.08587	19.4
109.06514	10.6
115.05456	8.5
117.07017	31.8
119.08550	26.4
121.06488	10.9
121.10138	13.9
128.06238	10.6
129.06979	19.3
130.07751	12.6
131.08575	34.6
133.06468	23.5
133.10097	19.2
135.08051	7.4
135.11633	3.9
137.09625	3.6
141.06973	3.9
142.07791	11.7
143.08572	22.9
145.06299	3.6
145.08961	6.6
145.10115	100.0
147.08058	14.7
147.11708	8.5
149.09633	9.4
155.08508	9.0
156.09297	5.7
157.10106	23.1
158.07239	6.2
159.11688	9.4
161.09601	13.3
161.13220	8.8
163.11089	9.2
171.11623	11.4
173.09596	49.8
175.11311	7.9
175.14801	9.7
185.13173	20.9
189.12711	12.9
191.10635	22.8
195.11646	8.7
203.14264	27.7
211.36127	3.3
213.12724	20.3
231.13774	53.4
249.14856	15.9
304.56647	4.4
426.97269	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.8
57.55349	2.3
63.86721	2.2
67.05500	5.3
69.03429	3.1
69.07631	4.7
69.08029	13.5
79.05476	6.1
81.07047	6.4
81.41000	2.3
82.75893	2.1
83.04975	11.2
87.04440	3.9
91.05461	12.7
93.07036	15.4
95.04960	56.7
95.08604	3.2
101.06041	3.9
105.06348	4.2
105.07014	43.9
107.08588	13.5
109.06498	8.7
114.04878	2.2
115.05440	2.8
117.07021	9.9
118.99368	2.3
119.08559	19.4
121.06506	7.2
121.10149	8.1
123.08078	5.0
125.05932	3.3
128.06247	4.5
129.07034	5.9
130.07785	9.2
131.08569	20.1
133.06456	14.5
133.10123	14.6
135.08017	6.9
137.09563	2.5
142.07722	3.6
143.08548	15.2
145.10109	100.0
147.08023	6.2
147.11700	7.6
149.09599	8.3
155.08513	6.7
157.10143	11.0
158.07420	2.5
159.11665	5.2
161.09612	10.0
161.13257	7.6
163.11145	9.1
171.11723	4.6
173.09610	22.7
175.11171	4.1
175.14777	6.2
185.13239	12.7
189.12761	10.5
191.10678	16.8
203.14334	17.6
213.12698	10.9
231.13751	41.1
237.07373	2.7
242.92766	2.6
249.14857	10.4
253.25351	2.5
301.40189	2.4
321.52591	2.5
378.07019	2.6
444.75629	2.6
526.33002	2.8
548.35077	2.9
548.55487	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	526.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.3
57.07066	6.8
67.05505	6.2
67.81337	1.8
69.07066	8.9
70.06594	5.2
71.08619	2.0
73.42746	2.4
79.05495	7.6
79.93719	2.0
81.07060	12.0
81.96992	1.9
83.04974	17.7
85.06538	4.3
87.08105	5.8
88.07623	7.8
89.06041	4.3
91.05473	15.7
93.07038	13.4
95.04963	4.2
95.08596	13.2
99.04472	2.5
101.44082	2.1
102.09183	5.7
103.05479	2.3
105.07017	27.6
107.08576	9.8
109.10149	6.2
114.98503	2.0
117.07011	25.3
119.08584	16.4
121.10144	6.5
128.06215	2.3
129.07011	6.0
130.07819	10.4
130.08636	1.9
131.08542	18.9
133.08617	3.5
133.10110	11.8
135.11728	3.1
143.08585	7.3
144.09340	2.5
145.10109	80.7
145.11223	4.1
150.33186	1.8
157.10086	3.7
159.11664	32.9
161.13290	9.7
169.08611	15.8
173.09598	7.1
173.13290	5.8
201.16362	100.0
203.14288	3.0
213.12737	2.1
219.17407	4.7
231.13782	3.7
256.26303	28.3
526.41107	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.1
57.07069	6.5
67.05501	3.9
69.07060	2.2
71.08608	6.1
71.26717	1.6
79.05501	1.9
81.07049	5.7
83.04969	7.4
85.10185	3.4
87.04473	3.7
89.06025	100.0
91.05470	4.0
93.07030	4.2
95.08599	9.4
105.07011	17.7
107.07090	3.2
107.08566	8.1
109.10117	6.9
117.07013	2.5
119.08572	11.6
121.10175	3.3
123.11684	3.5
129.06999	1.8
131.08531	1.8
133.08597	65.6
133.10074	8.0
143.08607	1.5
145.10138	5.3
147.11676	30.8
157.10173	2.1
159.11670	1.3
161.13274	5.9
163.14804	2.7
169.37787	1.4
173.09657	2.3
177.11211	22.6
203.17926	43.5
204.18396	2.4
221.13867	3.7
221.19041	4.8
231.13879	1.9
239.14877	3.5
259.84592	1.6
283.17496	4.9
327.20090	41.8
338.56424	1.4
358.75970	1.3
526.37457	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	526.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81635	5.6
53.23064	7.2
55.05502	12.9
57.07058	22.4
60.88772	6.0
62.56333	6.2
67.05499	12.4
69.07067	8.4
71.08604	22.5
71.43366	11.3
81.07028	22.2
83.04968	16.8
85.10180	12.3
89.06021	80.8
91.05492	15.4
93.07009	10.1
95.08605	20.6
105.07028	58.5
107.08567	23.2
109.10129	22.7
117.07005	8.3
119.08575	31.9
121.10075	9.8
131.08545	8.2
133.08554	51.5
133.10133	23.2
139.74199	7.2
145.10156	12.0
147.11659	77.0
158.15041	6.3
160.27992	7.1
161.13248	16.8
163.14827	7.7
173.09593	13.5
174.01971	7.0
175.34898	6.9
177.11160	19.5
203.17932	100.0
204.18411	8.6
256.26184	8.5
327.19983	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	526.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54205	0.9
52.40169	1.0
55.01876	1.0
55.05507	3.0
57.07071	60.2
57.77809	1.1
67.05498	1.3
69.07070	9.2
71.08627	55.6
73.06546	3.8
79.05498	1.5
79.17193	0.9
81.07082	2.1
83.08614	2.4
85.10178	30.3
87.04465	5.1
89.06024	100.0
90.06424	1.2
91.05481	2.8
95.04939	1.2
97.10126	2.4
99.11745	7.1
104.10702	2.1
105.07032	3.3
107.07072	2.2
107.08533	1.1
111.11701	4.4
113.13293	6.0
117.06982	2.8
117.09115	4.8
119.08557	1.9
125.00039	1.0
125.13249	1.8
127.14820	2.8
128.06206	1.7
129.06989	2.7
131.07031	1.8
131.08554	2.9
133.08594	58.9
135.10162	1.1
143.08539	3.2
145.10132	4.8
155.08606	1.1
157.10081	2.4
163.11189	1.2
173.09593	4.8
177.11205	25.0
183.20934	1.2
184.07307	1.9
185.07654	1.3
185.13303	1.6
195.12326	1.0
203.14458	1.1
213.12753	1.4
221.13828	4.2
231.10712	1.0
231.13683	2.2
239.14880	4.9
256.26077	1.3
271.26361	1.7
283.17505	2.6
315.29037	3.2
327.20078	17.2
363.59497	1.0
389.43750	0.9
465.37790	1.4
509.40247	11.0
526.43365	1.3
526.51343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25615	1.0
54.52574	1.1
55.05499	2.1
57.07068	60.7
64.51665	1.1
65.80410	1.0
69.07057	9.6
69.32488	4.3
69.32899	2.3
69.51550	1.0
69.55630	1.2
71.08622	51.7
73.06548	3.6
83.08598	3.1
85.10168	30.6
87.04456	2.8
89.06020	100.0
91.07576	1.4
97.10138	2.5
99.11701	7.8
107.07036	2.3
111.11709	3.4
113.13255	5.7
117.09110	4.8
124.11869	1.0
125.13269	2.1
127.14828	2.5
127.28866	1.1
133.08589	70.7
135.10088	2.1
173.70901	1.1
177.11194	23.5
221.13794	5.5
227.23470	1.2
239.14818	4.3
271.26282	2.5
283.17416	3.5
315.28870	4.0
327.20078	17.6
365.10458	1.2
396.86554	1.4
509.40265	15.2
526.42303	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30359	0.6
64.42338	0.5
70.93158	0.7
73.86550	0.6
75.09243	0.6
113.38361	0.7
142.36250	0.5
150.05457	2.1
168.06573	4.3
175.05728	1.0
185.04169	0.8
266.66669	0.7
311.42123	0.6
327.91022	0.6
352.56561	0.6
365.10266	2.3
441.17081	1.8
454.88647	0.6
483.18909	5.1
527.13452	100.0
528.13910	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	527.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
79.04436	0.4
87.52741	0.4
96.54105	0.4
101.00839	1.1
111.60214	0.4
119.01889	1.2
129.02142	0.6
131.01910	1.3
137.01891	1.1
143.01895	3.9
144.02724	0.5
145.03430	1.2
152.02361	1.4
155.00710	0.7
155.01883	8.4
157.03444	0.6
158.02361	0.8
161.02960	1.6
164.02425	0.8
167.01791	0.6
169.03513	0.7
170.02310	0.6
173.01480	0.7
173.02946	10.3
174.03040	0.5
179.02939	0.7
185.02832	2.8
185.04242	1.1
188.03473	0.8
194.03423	0.8
197.02919	1.0
203.03670	1.0
203.05421	5.0
211.89008	0.4
215.03882	2.2
224.04494	2.1
224.54594	0.7
233.05046	0.6
245.05058	7.1
245.54990	0.6
254.05602	1.4
257.05215	0.8
263.06058	0.6
275.06100	2.0
275.56363	0.5
287.06198	0.7
293.06943	0.5
305.07111	7.6
305.57278	0.5
306.07233	0.5
326.07758	1.7
326.57761	1.0
335.07996	0.9
341.08292	0.7
347.08264	3.8
356.08759	0.9
365.10519	78.2
366.10867	1.7
386.09842	1.3
386.59854	0.7
400.90967	0.5
403.01050	0.7
407.10312	12.3
408.79245	0.5
437.11157	0.7
449.98480	0.4
527.15790	100.0
528.16132	3.8
537.81097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1583
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
53.36197	0.8
61.12722	0.6
62.67946	0.7
70.18207	1.7
112.89584	5.0
114.89330	2.6
148.63115	0.6
166.54634	0.6
172.80281	0.6
185.04297	1.8
203.05231	5.5
205.11633	0.6
222.98825	1.3
227.49945	0.7
279.76968	0.7
305.08377	1.6
306.36942	0.7
347.09567	1.9
365.10510	62.8
366.10898	1.7
467.13651	1.0
527.15765	100.0
528.16101	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	527.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15305	0.5
55.03271	0.5
56.55028	0.4
95.30564	0.4
128.55299	0.5
134.38936	0.5
151.03899	1.4
290.25336	0.5
365.10535	1.5
527.17273	100.0
528.17670	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	527.1737
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
52.90124	0.4
60.99651	0.5
69.58190	1.7
79.01600	1.1
82.00308	0.5
95.01088	1.8
102.13390	0.4
105.71555	0.5
113.02126	1.2
127.00011	0.5
138.02786	0.5
139.03633	0.5
141.05222	1.0
153.01567	0.6
169.04852	0.5
180.11163	0.5
181.04747	0.9
185.04189	1.5
199.05751	1.0
204.07587	4.4
217.08371	1.1
227.05241	2.6
243.04819	1.1
248.64244	0.5
256.09955	0.5
259.07904	0.7
271.04327	1.4
279.12042	5.0
307.11490	4.5
423.16287	1.3
441.17313	14.7
442.17365	0.7
474.15149	0.5
483.18338	51.7
484.18768	2.6
527.17316	100.0
528.17798	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	527.1889
Annotation	Physalin J
Peak:m/z	Relative Intensity
50.56719	0.3
51.23624	0.4
63.87399	0.4
67.05498	0.4
69.41881	1.8
75.04514	0.4
75.69914	0.3
76.50906	0.4
80.55294	0.3
81.07040	0.5
85.02866	0.5
94.04166	1.1
95.08569	0.8
105.07024	0.5
121.23958	0.4
122.03657	2.6
137.05966	31.0
138.06342	0.6
149.05980	0.5
156.43137	0.4
159.40077	0.4
161.06015	0.9
175.07516	0.7
185.04176	1.5
187.84679	0.4
279.19373	0.7
289.05289	3.6
303.19748	0.6
311.12692	0.7
330.17899	0.8
365.09869	0.8
365.13596	3.5
383.14798	1.8
465.18759	10.6
465.25125	0.8
466.19241	0.5
467.16849	0.8
483.25528	1.4
509.17126	0.7
509.23535	1.7
527.18695	100.0
528.18976	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66971	0.3
69.26688	1.4
75.67129	0.3
79.05471	0.3
83.04997	0.3
91.05482	1.0
95.04977	0.6
98.23479	0.6
105.07014	1.0
107.04974	0.6
109.06490	0.3
117.07010	0.5
118.11788	0.3
121.06432	0.3
131.08557	0.9
136.05211	0.5
137.05986	0.4
143.08568	0.5
145.10120	0.9
146.10458	0.7
148.05225	0.6
151.07527	8.6
155.08546	0.4
157.10149	0.4
166.06245	0.9
173.05998	0.4
173.09636	1.0
174.10002	0.3
177.09128	0.5
181.08560	5.4
189.05247	0.5
189.09030	0.5
202.09972	0.7
203.10625	0.8
231.13762	0.5
232.14212	0.5
362.31195	0.4
370.17816	0.6
385.20007	0.8
425.19250	1.2
467.20319	4.5
467.26392	0.4
512.19910	0.7
523.59967	0.3
527.22473	100.0
528.22766	6.0
533.29578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	2.0
62.27377	0.6
68.85294	0.7
69.59098	2.4
71.08631	2.2
83.04961	1.4
85.10167	1.6
89.06014	5.9
98.23431	1.3
99.11749	0.7
105.07025	1.1
113.79513	0.7
121.06480	0.9
130.47462	0.8
133.08574	3.8
137.06012	1.0
149.05881	0.9
165.06952	1.5
167.08397	0.8
168.09344	0.7
169.06468	3.2
175.00897	0.7
177.11186	1.0
179.08543	1.8
191.08594	1.2
192.09320	9.5
193.10086	5.3
195.08113	1.1
201.76514	0.9
202.07724	3.2
203.08519	2.1
204.09174	1.0
205.06407	1.3
205.10132	2.5
205.12013	1.2
207.07986	2.9
207.11693	6.8
211.11124	1.7
215.08566	1.3
216.09372	1.1
217.10132	5.7
218.10814	1.4
219.08118	1.5
219.10016	1.4
219.11931	0.9
220.08849	5.7
221.09586	6.1
223.07504	0.9
223.72594	0.7
225.09061	1.5
229.10207	0.8
231.11732	0.8
233.09613	2.9
233.13141	1.1
235.07597	1.3
235.11145	29.8
236.11465	1.0
245.09630	2.4
247.11000	1.3
248.08339	5.6
249.09003	1.0
253.08524	1.2
253.12100	2.2
259.11249	1.6
261.10117	1.1
261.12741	8.0
263.10651	21.8
264.11081	1.1
265.08658	1.2
266.09445	3.3
271.11035	1.9
275.10712	1.1
279.10162	4.2
279.12930	0.8
281.11697	100.0
282.12042	3.0
289.12195	5.1
292.04904	0.8
293.11838	2.1
299.10916	0.9
303.10141	0.9
305.11737	2.0
306.12537	2.1
307.10004	1.0
307.13229	17.2
308.14029	3.7
309.14865	1.3
317.11633	2.6
318.12494	1.8
335.12741	8.5
336.13474	10.5
365.10544	1.2
405.66348	0.8
407.16437	0.9
425.17236	1.3
453.16879	1.1
471.18179	2.6
481.23840	6.1
491.22220	1.0
499.25165	9.0
509.22897	3.1
527.16028	2.4
527.24164	38.7
528.24469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30644	0.8
54.31589	0.6
57.07064	2.0
69.31194	0.6
70.04089	2.1
71.08620	1.7
85.10180	0.9
87.04482	0.9
89.06025	43.5
90.06353	2.1
107.07024	1.1
108.44019	0.6
110.52082	0.6
121.02786	0.9
124.41976	0.6
130.08542	0.8
133.07576	1.5
133.08588	25.1
134.08936	2.8
165.06902	0.8
167.08557	0.7
169.06493	2.5
171.08055	1.3
177.11195	6.9
178.11620	0.8
179.08559	1.4
189.16087	0.7
190.07739	0.8
191.08563	1.0
192.09276	6.0
193.10129	2.6
195.08002	1.0
195.12193	0.9
197.09622	0.7
197.16019	0.7
202.07788	3.0
203.08487	1.0
205.10330	1.0
205.12265	2.2
207.08086	0.9
207.11618	5.0
217.10205	3.3
218.10869	1.2
219.08102	1.8
219.10109	0.8
220.08800	3.9
221.09625	4.2
221.13771	1.4
222.06783	0.8
228.09221	0.8
233.09731	0.9
233.13138	0.9
235.11147	25.8
239.14938	1.2
240.07837	0.8
242.94147	0.7
245.09555	2.0
247.11218	0.7
248.08263	3.9
253.08632	0.9
253.12183	1.2
257.09457	1.0
259.11148	1.0
261.09265	1.3
261.12683	9.8
263.10657	19.9
265.12183	0.7
266.09302	2.4
271.11111	1.2
275.10562	1.2
279.10147	3.9
281.11694	100.0
282.12027	3.3
283.17441	1.8
287.10822	1.0
289.12180	4.6
293.11780	1.1
303.09946	1.1
305.11664	1.7
305.34482	0.6
306.12451	2.9
307.09677	0.8
307.13190	17.1
308.13998	3.6
309.14719	1.1
317.11746	2.2
318.12479	2.0
327.20023	13.3
327.23541	1.2
328.20419	3.5
335.12726	6.1
336.13480	10.5
337.13940	0.7
365.10635	1.5
397.17932	0.9
425.17932	1.0
443.18652	0.9
471.17911	2.8
481.23782	4.3
499.24982	7.0
509.23004	2.9
520.98560	0.7
527.15845	4.1
527.24139	36.9
528.24323	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97919	1.6
58.26095	1.5
62.50269	1.6
67.54456	1.8
91.15466	1.4
100.26796	1.4
130.06522	1.8
130.74669	1.6
276.08859	2.6
279.19269	3.8
319.10751	7.7
347.10281	1.7
441.24619	9.1
483.26038	35.8
484.25854	2.1
527.24396	100.0
527.33215	94.6
528.25214	3.3
528.33569	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	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11102	0.2
69.06976	0.2
71.41084	0.3
72.08044	0.4
79.05389	0.4
81.06946	0.4
85.02776	0.4
105.06885	0.3
135.04300	0.5
135.73802	0.2
137.05875	0.3
145.02748	0.5
163.03914	2.7
164.04025	1.3
165.04156	0.4
165.05379	0.5
166.05722	0.4
167.06033	0.3
227.05112	0.6
264.63065	0.3
268.01736	0.2
271.04230	0.3
279.19272	6.4
307.15414	0.4
307.18738	3.7
321.20197	1.0
365.31497	0.3
423.23654	1.6
441.24591	19.4
442.24701	0.9
465.18753	0.3
465.24496	0.5
483.25613	43.0
484.25949	2.5
527.24628	100.0
528.24951	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	527.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21404	0.4
67.99538	0.3
70.46893	0.5
79.05456	0.5
81.07022	0.8
91.78225	0.4
93.07014	0.5
105.06998	0.5
107.08529	0.5
124.97263	0.4
163.03944	0.3
166.50298	0.3
185.04181	0.4
199.13297	0.4
201.03667	1.1
203.05354	1.7
227.05345	0.8
228.78271	0.3
243.04735	4.3
245.06300	6.4
261.18201	3.1
263.19815	3.8
271.04236	1.0
279.16144	0.5
279.19290	12.0
287.03717	35.6
288.04007	0.6
289.05267	49.9
290.05688	1.1
351.70810	0.4
441.24570	1.8
448.92590	0.4
449.47913	0.4
483.25687	15.3
484.25937	0.7
509.23761	0.7
527.24622	100.0
528.24945	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	527.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33566	1.1
70.33916	1.0
98.33445	0.5
163.03905	1.2
185.04289	0.6
203.05316	1.8
205.45367	0.5
227.05295	1.2
245.06300	6.1
259.84570	0.6
261.18304	2.0
279.19284	5.2
289.05283	8.9
365.09988	5.2
423.23581	2.0
441.24646	6.6
465.24533	5.8
483.25653	22.7
484.26080	1.1
509.23541	26.0
510.24036	1.2
527.24603	100.0
528.24902	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	527.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05278	2.2
74.43114	1.5
79.05473	1.7
81.07038	2.3
95.08604	3.5
105.40961	1.6
107.13636	1.7
139.94226	1.4
163.03984	1.4
203.05331	1.6
243.04785	1.7
245.06378	2.5
251.32083	1.5
263.19928	2.1
279.19296	5.5
287.03668	11.9
289.05316	30.8
336.12360	1.5
355.17325	2.2
465.24640	1.7
483.25653	17.7
509.23376	1.8
527.24658	100.0
527.30798	4.0
528.25122	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	527.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01860	2.3
55.05506	9.1
57.03423	2.9
59.04993	1.2
67.05493	2.0
69.03417	3.3
69.07072	1.0
70.16308	0.6
71.04994	1.6
73.06559	2.5
77.76926	0.6
79.05475	5.7
81.07051	15.1
83.04974	8.8
83.08556	0.7
85.06532	0.7
89.01781	0.6
91.05473	15.4
93.07033	9.9
95.04969	7.7
95.08617	4.0
97.06519	1.5
98.22725	1.9
99.04430	0.8
101.06014	11.6
103.05460	0.9
105.07025	28.4
107.04933	1.1
107.08588	8.0
109.06492	3.4
111.08033	0.7
115.05434	2.4
116.06186	1.2
117.07008	12.0
119.07065	2.0
119.08575	12.2
121.06519	4.3
121.10130	3.0
123.08049	2.3
125.05962	0.8
128.06197	8.7
129.07002	11.2
130.07817	5.1
131.08557	18.3
133.06487	3.5
133.10121	9.0
135.08032	2.4
141.07002	4.2
142.07759	6.2
143.08551	36.5
144.08969	1.9
145.06490	3.6
145.10112	86.4
145.62215	0.8
146.10463	2.3
147.08037	4.7
147.11707	3.1
149.09595	10.9
151.07526	0.8
153.06987	2.4
154.07733	1.7
155.05994	1.2
155.08539	13.3
156.09341	3.6
157.10118	19.8
158.07253	2.4
158.10887	0.8
159.07996	2.2
159.11694	8.2
161.09604	25.4
161.13217	3.2
162.09944	1.0
163.11208	1.2
165.06993	4.4
167.08534	2.1
169.10141	4.1
170.10893	2.9
171.08049	5.4
171.11684	8.5
172.08749	1.0
173.09613	35.7
173.13232	1.1
175.07532	0.9
175.11160	3.1
175.14854	4.3
180.09309	4.6
183.08098	1.7
183.11703	2.9
184.08878	0.9
185.09608	2.2
185.13239	27.5
187.11177	3.7
189.09055	1.3
189.12685	3.9
191.10666	1.6
195.11676	14.8
198.10364	2.7
201.11124	1.0
201.12724	4.3
203.14294	27.9
204.14720	1.4
213.12721	42.4
214.13107	1.5
219.13820	1.7
221.04346	0.7
231.13780	100.0
232.14160	3.7
233.11667	2.0
249.14880	8.4
273.14902	2.7
274.90012	0.8
291.15836	5.5
309.16965	4.2
352.67694	0.6
495.98816	0.6
537.86237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3344
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
53.28448	0.3
71.32870	0.3
72.74680	0.3
79.05492	0.3
79.33401	0.3
79.33896	0.3
81.03434	0.3
88.61764	0.2
96.89913	0.3
102.30711	0.3
108.52962	0.3
118.17435	0.2
130.90590	0.3
134.37027	0.3
219.02338	0.3
269.37244	0.3
270.90591	0.4
438.93259	0.3
483.34384	0.7
491.98651	0.4
527.33374	100.0
528.33661	4.2
545.34186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01862	2.4
55.05503	12.7
57.03416	2.5
57.07061	1.6
57.98107	0.8
65.03936	1.6
66.46226	0.8
67.05496	29.2
69.07066	11.8
69.26038	3.6
69.26448	1.8
71.04980	1.8
79.05486	19.8
81.03412	8.0
81.07050	26.0
83.04977	2.0
83.08604	7.6
85.06540	1.8
91.05473	19.7
93.07036	22.9
95.04957	6.7
95.08595	15.7
97.02898	1.0
97.06509	2.5
97.10175	2.8
99.08080	1.0
105.04525	0.9
105.07015	18.9
107.08573	11.9
109.06468	1.4
109.10160	3.9
111.08035	1.5
113.58611	0.9
117.07016	10.4
119.06023	1.2
119.08571	16.2
121.10120	9.6
123.08086	1.5
123.11721	1.6
124.93152	0.8
125.09581	1.3
128.06273	2.7
129.06993	9.2
130.07787	1.0
131.08549	17.9
133.10112	10.7
135.08122	1.0
135.11708	4.5
139.11163	1.2
141.06996	2.5
142.07761	2.5
143.08556	12.7
145.10107	19.8
145.11218	1.2
147.08023	1.2
147.11656	6.8
149.09587	1.2
149.13274	3.9
154.07727	1.1
155.08557	7.6
156.09383	1.4
157.10098	14.6
159.11667	18.1
161.13251	3.1
167.08632	1.9
169.10095	7.0
171.11671	12.0
173.09729	0.9
173.13243	10.1
175.14856	1.4
181.10159	4.3
183.11659	7.8
185.13225	10.0
185.14470	0.9
187.14847	3.7
190.27431	0.9
193.10338	1.1
193.12305	3.5
195.11696	3.8
197.13168	5.9
199.14787	4.2
201.16356	5.3
207.11644	1.4
209.13219	3.0
211.14813	2.2
213.16397	1.4
221.13231	1.5
223.14836	3.2
225.16264	1.0
235.14754	1.1
237.16348	1.5
241.19548	2.4
255.17349	0.9
257.19055	1.5
259.20605	2.4
261.22171	1.3
297.21970	1.2
301.21774	1.2
309.22101	1.5
311.23599	1.2
315.23233	2.6
323.23642	2.4
341.24860	1.0
417.31653	4.5
435.32483	12.7
453.33591	6.8
471.34546	5.8
473.34351	1.4
491.35336	1.4
509.36188	5.8
527.37262	100.0
528.37616	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	528.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83471	0.9
69.03423	1.0
69.19991	1.3
69.20403	3.5
75.04479	1.4
79.05484	1.8
85.02918	1.9
89.03931	8.0
91.05490	3.3
92.05808	1.3
93.07028	1.1
97.02888	1.2
98.22707	2.0
107.04962	2.1
109.02869	1.6
117.03368	8.9
121.06502	1.8
127.03920	2.4
135.04411	18.3
145.02829	13.1
151.03903	17.1
151.05040	1.4
162.21182	0.8
163.03894	100.0
164.04236	1.6
164.83908	0.9
177.05495	2.4
192.06572	2.4
194.08162	1.2
195.08508	1.1
203.12589	0.9
224.09052	1.0
311.14923	1.1
344.14767	4.4
381.98236	0.8
415.69382	0.9
510.19009	1.3
527.32202	0.9
528.25208	1.9
528.32227	1.1
529.25909	0.9
529.33289	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	528.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40960	0.2
53.24895	0.2
67.05503	3.4
67.40627	0.3
69.51067	0.7
69.51472	0.6
79.05490	0.4
85.59714	0.2
93.05784	0.3
94.06564	9.9
94.07163	0.5
95.04964	0.5
106.06560	1.8
109.02856	0.3
122.06022	15.4
122.28783	0.3
138.83917	0.3
150.05496	37.2
151.05885	0.5
163.03964	0.6
164.07053	0.5
168.06552	100.0
169.06918	1.7
179.20996	0.2
188.91913	0.3
205.32996	0.3
238.08589	0.4
241.43625	0.3
248.46863	0.3
250.08778	0.3
266.08096	0.8
268.09677	0.6
284.09125	0.8
286.10730	3.0
294.07718	0.5
312.08530	1.2
330.09833	1.6
348.10614	0.4
359.22894	0.3
360.01184	0.3
484.18561	0.4
510.13940	2.8
528.14954	11.0
529.18042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
53.64422	0.6
59.80930	0.6
64.31887	0.6
65.10807	0.6
67.01857	2.0
68.27264	0.6
69.03062	1.0
69.03423	14.6
69.03793	1.0
70.06574	1.4
70.40122	1.6
71.04982	2.1
81.03409	29.9
85.02892	10.4
88.26020	0.7
97.02888	15.5
99.04443	5.7
103.99332	0.6
108.04422	0.8
109.02866	100.0
127.03902	35.8
128.04265	0.8
139.03899	4.4
145.04933	2.6
151.03877	0.7
169.04938	22.4
187.05997	24.4
222.84758	0.7
229.07013	3.7
247.08127	4.7
279.35052	0.7
353.91592	0.8
400.89108	0.8
459.07321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.8
57.21222	1.3
58.79213	1.1
61.02932	1.5
67.01852	4.9
68.09372	1.2
69.03421	14.7
69.09827	8.2
71.04977	2.6
81.02957	2.4
81.03409	32.3
85.02896	7.9
87.09473	1.8
97.02884	22.7
99.04446	9.7
103.03945	1.6
109.02867	100.0
127.03902	49.2
139.03915	3.3
145.04962	1.9
163.03859	1.7
169.04950	24.4
172.76053	1.4
187.05988	32.9
187.07587	2.4
229.07013	3.3
247.08144	9.9
475.14645	1.5
505.20197	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67006	2.7
53.03934	6.3
55.01869	5.2
57.03434	15.3
61.02921	9.3
61.59523	1.8
67.05490	4.2
68.99786	6.7
69.03425	52.3
69.19244	12.2
71.01369	2.7
73.02914	21.8
78.59501	1.9
81.03418	24.7
83.01350	2.1
83.04963	4.6
85.02903	100.0
85.38995	1.9
87.00823	45.4
95.04982	6.4
97.02890	65.5
98.23461	3.5
99.04449	13.6
103.03959	17.2
105.01862	73.0
107.04977	2.1
109.02869	38.6
111.04465	6.4
115.03935	13.3
115.50286	2.2
116.10426	2.0
119.04977	2.9
123.04422	9.1
125.02348	12.5
127.03908	86.3
129.01845	7.7
129.75050	2.0
137.02284	2.3
139.03868	4.9
145.04941	21.9
147.02878	7.4
147.06529	3.0
150.07678	2.2
151.03908	7.5
159.02861	5.8
163.03909	2.7
169.04973	8.6
171.02864	2.8
171.06592	2.9
178.60399	2.0
181.04988	10.4
187.05980	4.0
189.03929	18.6
193.04825	2.7
195.06548	2.6
199.06026	5.0
205.04912	4.1
211.05934	2.6
213.04005	10.4
217.07019	3.7
223.05994	16.0
231.05003	25.8
231.55144	2.0
233.06552	4.3
241.06969	13.6
249.06049	15.0
255.04778	3.2
260.82248	1.9
273.06049	23.2
297.06247	2.4
309.06046	3.9
327.06985	6.4
345.08145	4.6
363.09262	7.4
528.18793	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	528.28
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46476	4.1
69.37009	4.0
70.06561	3.7
81.07042	4.2
85.07591	3.4
93.07015	3.8
100.58776	3.8
135.04469	4.0
142.26080	3.6
147.06987	6.3
147.08043	48.7
149.05975	6.9
149.09608	23.6
155.45238	3.8
163.03908	7.2
173.09633	10.9
255.17299	5.0
267.17435	9.7
283.37967	4.2
285.18323	8.4
287.20032	100.0
331.18915	5.9
478.31155	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	528.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80965	1.7
59.60335	1.7
67.41335	1.6
69.68003	3.7
69.68365	3.7
78.39668	1.6
82.22193	2.0
91.05478	1.8
93.07120	1.5
95.08610	2.7
98.23535	1.8
122.42779	1.9
123.11726	2.5
133.10155	2.0
147.08037	40.6
149.05986	6.9
149.09602	25.3
163.03879	5.4
173.09618	5.9
181.04901	2.0
187.11156	2.8
189.09190	2.4
199.11278	2.1
201.08917	2.1
205.73436	1.7
224.57210	1.7
231.14066	1.7
235.09702	2.2
267.17300	3.0
285.18405	5.9
287.20013	100.0
288.20374	4.1
295.16977	2.1
313.17896	4.0
331.18866	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	528.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14412	5.9
58.95663	4.8
60.70550	5.8
77.17645	5.7
90.30988	4.7
90.38152	4.5
91.05487	8.1
101.01903	5.4
108.48577	4.9
147.08041	85.7
149.09604	29.6
172.52782	5.0
173.09647	13.2
213.74451	5.6
257.08441	4.8
267.17426	8.1
272.64581	6.1
273.18494	4.6
285.18460	14.4
287.20044	100.0
313.17664	6.1
331.19171	6.5
333.38193	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	528.317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29652	5.1
58.93470	6.3
59.02074	5.7
67.05512	13.3
69.39918	27.4
73.72935	5.8
79.05481	10.2
81.07044	21.1
85.06548	7.1
91.05470	58.2
93.07035	18.8
95.04954	25.1
97.06493	5.9
105.07013	79.9
107.04970	8.7
107.08527	6.9
113.78559	5.2
113.85353	5.8
115.05419	10.5
117.07013	71.9
119.08559	23.8
121.06429	8.0
128.06213	22.0
129.06989	47.7
130.07774	9.1
131.08540	38.9
133.06444	8.9
133.10114	30.3
141.07027	7.4
142.07773	18.2
143.08553	49.9
145.06491	9.0
145.10121	97.2
147.08020	11.8
149.09581	11.0
155.08531	17.3
156.09338	13.3
157.10065	33.0
159.11688	16.8
161.09595	20.2
171.11688	12.6
173.09604	100.0
175.11156	14.6
185.13268	32.4
187.11096	9.6
189.12727	10.4
191.10645	21.2
203.14310	24.2
213.12735	28.6
231.13771	57.5
249.14851	11.1
290.17484	6.0
424.45050	6.2
476.77945	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	528.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
53.12641	2.5
55.01854	3.7
55.05500	5.7
55.53248	2.4
55.60704	1.9
59.61115	1.9
61.89104	1.9
66.37356	1.9
67.05494	7.9
69.03421	5.2
69.15221	15.1
71.04993	3.7
74.88215	2.1
79.05488	13.0
81.03421	5.6
81.07047	9.8
83.04980	7.3
85.02894	11.1
87.00823	2.4
91.05471	38.1
93.07041	16.0
95.04959	16.8
95.08607	7.0
97.02871	2.1
97.06557	4.5
98.22685	4.1
103.05482	3.3
104.28350	1.9
105.01877	2.9
105.04482	1.8
105.07019	58.8
107.04943	3.7
107.08585	8.4
109.02869	2.6
109.06503	8.6
115.05452	6.8
116.06197	3.9
117.07010	56.5
119.04931	5.1
119.08557	21.7
121.06484	6.3
121.10149	3.7
123.08003	3.4
127.03924	7.5
128.06180	17.4
129.06998	36.3
130.07800	6.9
131.08549	44.2
131.09456	3.7
133.06480	9.1
133.10121	18.7
135.08020	3.7
141.06970	5.5
142.07771	14.2
143.08551	39.4
145.04924	2.4
145.06471	4.6
145.10109	65.3
145.11229	4.1
147.08032	9.5
147.11682	8.0
149.09558	4.7
154.07721	3.4
155.08525	14.1
156.09315	5.8
157.10103	28.7
158.07233	2.7
159.08125	2.7
159.11661	11.2
159.53442	2.0
161.09634	8.4
163.11171	4.9
169.10120	4.1
171.08058	4.5
171.11617	18.0
173.09610	100.0
175.11227	15.4
175.14819	3.4
180.09236	2.8
183.11652	4.0
185.13239	23.8
187.11247	5.2
189.12730	6.6
191.10672	19.8
194.23126	2.2
195.11699	8.3
203.14293	21.8
211.13216	2.4
213.12704	18.2
227.12834	2.8
231.13789	33.1
233.11691	9.8
249.14789	4.9
257.74292	2.1
289.36981	2.0
305.27365	2.5
322.20132	6.6
340.21042	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	528.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
53.62384	2.8
67.05500	4.8
69.23059	5.3
69.23465	9.6
71.04990	5.1
79.05463	6.5
81.07049	9.6
83.05009	4.7
88.51081	2.7
91.05466	23.1
93.07024	25.1
95.04960	100.0
95.08585	7.0
97.02883	3.3
97.06516	3.6
98.22796	6.0
105.07022	48.4
107.04937	3.1
107.08597	18.0
109.06497	15.7
115.05424	4.2
117.06980	14.7
119.08567	24.9
121.06486	8.0
121.10120	9.6
123.08047	5.9
128.06207	5.9
129.06981	10.2
130.07727	6.3
131.08557	28.1
133.06479	22.8
133.10106	14.7
135.08015	9.7
137.06006	3.0
137.09608	3.1
141.06975	2.7
142.07784	7.1
143.08562	11.3
145.10114	82.8
147.08058	5.9
147.11647	11.1
149.09607	7.0
151.07573	5.1
155.08549	3.8
156.09311	5.8
157.10101	16.8
159.11656	10.1
161.09651	6.1
161.13237	7.7
163.11143	13.6
171.11678	5.8
173.09586	31.6
175.11142	8.6
175.14822	5.2
185.13251	11.4
187.11195	3.4
187.14799	3.8
189.12708	10.6
191.10622	35.2
203.14311	19.7
205.12250	3.7
213.12738	9.6
215.14253	7.6
231.13742	45.5
234.60823	2.8
249.14923	13.4
279.28391	3.1
285.80923	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	528.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54001	1.4
55.05519	12.7
61.02919	1.9
63.18151	1.6
65.03955	2.3
67.05495	12.3
69.03419	2.5
69.07034	2.9
69.08365	12.6
71.04984	6.3
78.17791	2.2
79.05476	18.6
81.07054	26.6
83.04974	27.2
84.09518	1.8
85.06524	4.8
91.05468	35.2
93.07039	23.2
93.48869	1.6
94.06548	4.6
95.04968	21.2
95.08598	12.6
97.06519	4.5
99.04454	5.4
101.06068	1.8
105.07023	100.0
107.08589	32.2
109.06496	12.2
109.10143	5.2
113.05994	2.1
113.66582	1.8
115.05460	4.2
117.07000	14.9
119.08568	50.9
121.06487	10.5
121.10138	20.2
123.08066	6.6
128.06223	3.3
129.07022	8.7
130.07735	2.8
131.08548	50.1
133.06482	4.4
133.10115	31.5
135.08029	12.3
135.11681	3.6
137.09569	2.8
139.11174	7.0
141.06966	2.6
142.07770	32.1
143.07069	11.5
143.08482	6.8
145.06473	2.3
145.10110	40.9
147.07993	3.9
147.11674	41.1
149.09637	4.1
149.13304	1.9
151.11081	2.2
155.08580	5.0
156.09195	2.7
157.10106	51.5
158.10628	3.2
159.08058	7.4
159.11684	14.2
161.13272	3.0
163.11156	5.3
164.44240	1.8
165.12744	3.1
166.37718	1.6
167.08536	3.7
169.10121	2.6
171.11658	5.4
173.09642	8.3
173.13232	11.4
175.11179	55.6
182.10924	8.2
183.10114	2.6
185.13213	2.2
187.14795	14.4
191.14317	2.6
193.12222	1.9
194.70055	2.1
197.13286	12.2
205.15860	3.1
215.14297	18.7
233.15393	8.2
251.16359	4.7
366.55255	1.8
447.80341	1.8
492.42480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	34.2
57.07058	5.5
57.44119	3.5
58.34883	3.4
67.05509	18.1
69.07076	10.6
79.05495	24.8
81.07053	42.5
81.62002	4.0
83.04976	100.0
83.08628	4.4
85.06537	13.7
86.09682	4.1
91.05487	37.9
93.07036	34.1
95.04947	7.1
95.08607	51.2
101.06029	8.6
104.10757	23.6
105.07025	58.7
107.08592	39.0
109.06579	4.6
109.10160	17.9
115.05442	4.2
117.07001	27.5
119.08576	36.0
121.10144	43.8
123.08028	7.5
129.07018	10.7
131.08557	29.7
132.08963	4.0
133.10104	33.8
135.11693	38.2
141.70573	3.7
143.07043	16.2
143.08528	9.1
144.09290	4.3
145.10121	82.0
147.11697	15.8
149.09587	4.3
149.13318	10.1
157.10136	4.9
159.11694	57.7
161.13248	35.4
163.11211	16.8
165.08385	4.1
168.98854	3.9
173.13248	9.8
175.14890	6.4
183.10138	10.0
185.13261	4.5
186.14043	4.5
189.16403	17.4
191.17958	5.3
197.13422	4.5
201.16367	80.0
202.16533	5.3
219.17438	57.2
233.15427	4.4
469.23087	6.9
528.35803	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	528.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.1
57.03421	2.1
57.07058	3.0
67.05489	9.7
69.07066	8.7
69.62161	6.0
73.06557	2.9
79.05482	8.6
80.05801	2.4
81.03406	4.0
81.07041	13.2
83.04971	4.6
83.08617	3.2
85.06551	2.6
86.89043	1.6
88.47398	1.4
89.06037	2.6
91.05476	14.6
92.05795	2.0
93.07027	12.7
95.04935	2.8
95.08606	11.4
98.22707	2.8
98.23351	3.9
100.15122	1.6
101.06033	12.1
102.49730	1.6
102.88892	1.6
105.07016	25.4
107.08584	14.6
109.10170	5.4
113.46514	1.6
117.06994	20.4
119.07051	2.4
119.08569	12.5
121.10165	7.6
128.06252	2.0
129.07008	3.6
130.07762	6.4
131.08549	22.3
133.10098	9.6
135.11674	2.2
142.07802	1.9
143.08572	4.0
145.10115	82.5
146.10541	1.7
147.11711	2.1
157.10095	4.4
158.10712	3.2
159.11690	26.9
161.13214	8.6
173.13278	7.4
201.11263	2.3
201.16359	100.0
202.16699	3.9
219.17487	4.3
229.16069	1.7
267.86017	1.5
318.37790	1.7
528.37622	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	528.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24844	0.7
55.05508	7.4
57.03433	1.7
67.05505	4.8
67.85546	0.9
67.98259	0.7
69.07068	4.9
69.88828	1.5
69.89161	1.2
73.06564	1.6
79.05476	3.7
81.07041	8.3
83.04973	9.1
83.08614	1.5
85.06541	2.2
91.05469	10.2
93.07035	10.0
95.08582	7.3
95.29720	0.9
98.23409	1.0
99.08091	1.2
101.06011	17.5
103.05464	0.9
105.07024	21.1
107.08586	11.6
109.10145	3.8
115.05402	1.0
117.07011	13.8
119.07061	3.4
119.08561	11.6
121.10127	5.9
126.46346	0.9
129.06993	2.4
130.07790	4.4
131.08551	18.4
133.10138	6.9
135.11676	3.6
140.70311	0.8
143.08553	3.4
144.09322	1.8
145.10109	73.2
146.10474	1.3
147.11679	1.6
157.10106	2.0
158.10924	1.4
159.11687	29.1
161.13235	11.3
163.11191	1.8
166.89082	0.8
173.13220	7.0
175.14809	1.6
177.12805	1.9
178.98167	0.9
191.17952	0.9
195.00281	0.9
195.54312	0.8
201.11307	4.0
201.16360	100.0
202.16699	2.2
219.17413	6.6
236.20117	0.8
261.18747	0.9
337.12091	0.8
528.35199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93646	0.6
53.03943	0.9
55.05262	0.6
55.05507	7.7
57.03407	0.9
57.07059	1.0
65.03925	0.7
67.05499	5.6
69.07065	5.2
73.06538	1.9
79.05489	5.0
81.07063	7.2
83.04971	7.0
83.08607	1.3
85.06538	3.1
91.05476	11.0
92.84489	0.6
93.07035	9.4
95.08596	9.6
99.08082	0.9
101.06008	14.7
103.05475	1.4
105.07024	23.4
107.08590	12.0
109.10177	4.2
115.05437	1.6
116.06241	0.9
117.07011	13.7
118.07331	0.7
119.07089	3.9
119.08562	14.4
119.09405	0.9
121.10112	6.7
128.06174	1.2
129.06987	2.8
130.07780	4.0
131.07654	1.1
131.08565	16.2
133.10118	6.9
135.11708	3.2
143.08542	2.2
144.09315	2.3
145.10109	78.4
146.10399	1.5
147.11681	2.2
157.10133	1.5
158.10811	0.9
159.10358	1.3
159.11681	27.0
160.11954	1.0
161.13242	11.5
163.11137	1.3
171.11668	0.9
173.13214	6.5
175.14813	1.3
177.12735	1.6
183.10060	0.9
195.00308	2.0
201.11197	2.1
201.16365	100.0
202.16713	2.4
211.74821	0.7
219.17397	7.7
261.18655	0.9
406.47339	0.8
414.76031	0.7
443.86646	0.6
451.76401	0.6
528.37402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.9
66.88979	1.8
67.05502	10.2
68.08012	1.8
69.07057	6.8
69.54657	8.4
71.77063	2.1
79.05483	8.5
81.03402	2.6
81.07053	13.6
82.45696	1.8
82.53108	1.9
83.04977	8.2
83.08623	4.0
85.68268	1.7
89.05987	1.9
91.05460	13.1
93.07017	14.2
95.08617	10.2
97.56086	1.9
98.22656	3.7
98.23260	5.0
101.05987	15.7
105.07014	23.8
107.08587	13.9
109.10133	4.8
117.07017	19.9
119.07033	3.0
119.08569	15.8
121.10139	7.5
129.06964	2.9
130.07794	6.3
131.08557	17.0
133.10150	7.7
135.11606	2.8
143.08582	5.0
145.10109	86.0
147.11655	3.5
159.11693	28.5
161.13199	9.8
173.13272	4.3
201.16364	100.0
202.16731	2.0
219.17499	4.9
258.01831	2.0
320.59164	1.8
511.22446	2.0
528.37689	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	529.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80482	0.4
62.06050	0.5
69.03364	0.4
70.50614	0.5
76.93367	0.4
79.05445	1.4
79.64973	0.4
81.07030	0.5
89.03896	1.9
91.05426	1.1
105.39696	0.3
107.04918	0.8
115.05441	0.6
116.04914	0.6
117.03397	2.0
117.05712	0.9
118.06507	0.8
127.03960	0.5
130.06514	31.8
131.05986	1.0
131.06898	0.9
132.06778	0.4
132.08063	0.4
133.02864	0.4
134.05936	0.4
135.04399	3.7
142.06476	1.5
144.04430	2.0
145.02835	2.8
145.05193	0.8
146.05995	2.8
148.07509	1.9
155.05965	0.9
156.06763	0.6
160.03842	0.5
163.03888	14.8
172.03900	4.4
175.06262	2.7
176.07051	24.1
182.08415	0.6
186.05479	0.6
188.06985	2.4
192.06570	0.8
200.03386	4.3
204.06535	17.0
205.07260	0.9
206.08151	0.5
207.09038	0.5
219.09081	1.0
221.10677	0.4
232.05910	2.8
232.09923	1.0
233.10561	2.0
234.07816	1.5
234.11429	0.5
235.08577	3.9
243.09091	1.0
245.10768	1.0
246.07968	1.4
249.10181	4.5
250.06995	0.5
250.10989	0.9
259.08536	0.7
260.06879	0.7
260.09375	1.5
261.07889	0.6
261.10260	3.9
262.07535	0.7
262.10846	1.0
263.08163	3.8
263.11618	0.8
264.10175	1.1
271.08655	1.2
272.06808	0.5
272.09436	4.6
273.10168	0.9
274.07443	0.6
274.11011	0.8
275.08060	0.5
275.11859	1.1
276.10187	2.3
277.09729	8.2
277.12741	0.8
278.07596	0.7
278.10489	11.2
278.13510	0.6
287.08121	0.8
288.08881	2.5
289.09650	5.2
290.10385	1.7
291.11066	1.9
292.09561	4.9
292.12192	0.6
293.12692	2.3
294.11310	0.9
303.11255	4.4
304.09393	0.5
304.12317	0.5
305.12766	3.5
316.08447	0.7
321.12292	100.0
322.12601	2.9
331.10748	0.9
349.11761	16.6
366.09729	0.5
367.12854	11.6
529.15991	36.0
530.16290	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96648	0.4
69.18251	2.0
79.05457	0.9
80.19696	0.3
89.03902	2.7
89.55907	0.5
91.05431	1.5
91.65520	0.4
95.04955	0.5
98.23511	0.8
103.05428	0.9
107.04914	1.1
108.20572	0.3
115.05392	0.5
115.29004	0.4
116.04939	1.1
117.03368	3.2
117.05766	0.4
118.06508	0.9
120.17863	0.4
130.06511	36.5
131.06015	2.0
133.02788	0.5
133.05196	0.6
134.05936	0.6
135.04408	5.1
142.06448	2.2
144.04404	1.8
145.02827	3.1
145.05203	0.7
146.05995	3.5
148.07559	2.4
152.07028	0.4
155.06001	1.1
156.06789	0.6
160.03990	0.5
162.05501	0.7
163.03882	18.1
164.07083	0.6
172.03920	6.0
175.06213	2.6
176.07042	25.5
177.07463	0.4
186.05470	0.8
188.06998	1.4
190.04994	0.7
192.06502	0.7
200.03406	4.5
204.06540	17.5
205.07146	0.7
219.09106	1.1
220.11197	0.6
232.05850	2.5
232.09883	1.1
233.08479	0.7
233.10683	2.5
234.07628	1.8
234.11311	0.5
235.08669	4.3
243.09183	1.5
244.09850	0.5
245.10645	1.0
246.07872	1.2
247.08734	0.3
247.09805	0.4
249.07817	0.6
249.10197	5.7
250.07066	0.8
250.10683	0.6
259.08615	0.8
260.07013	0.6
260.09488	1.3
261.07590	0.5
261.10193	4.5
262.08301	0.6
262.10950	1.7
263.08145	4.9
263.11682	0.8
264.10123	1.2
271.08618	1.6
271.55310	0.4
272.09430	3.8
273.10196	1.3
274.07574	0.5
274.11053	1.1
275.08121	0.7
275.11642	1.2
276.10266	2.9
277.09711	8.6
277.13022	0.6
278.10446	12.4
285.10336	0.5
287.08105	1.0
288.08710	2.3
289.06778	0.5
289.09705	6.0
290.10410	1.2
291.11179	1.7
292.09470	4.7
292.12366	0.6
293.09842	0.5
293.12604	2.1
294.11267	1.1
294.97192	0.4
303.11188	4.3
304.09326	0.6
304.12341	0.6
305.12756	3.8
306.09982	0.6
316.08264	0.8
317.09494	0.6
318.09888	0.7
321.12283	100.0
322.12885	3.4
331.10742	0.7
349.11746	18.6
367.12836	12.7
368.13290	0.6
529.15979	37.5
530.15918	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1695
Annotation	Erlangerin A
Peak:m/z	Relative Intensity
56.96563	8.9
60.04495	1.7
68.71124	1.2
69.03424	1.7
70.06572	3.2
70.36461	3.0
81.03412	2.2
83.04964	1.4
84.59061	1.2
84.96011	7.4
85.02901	5.8
86.09716	1.6
87.00826	2.4
91.05489	2.2
94.75363	1.3
95.04950	1.6
97.02872	2.4
98.97582	15.5
99.04467	1.8
102.59492	1.4
109.02882	3.5
110.97532	3.3
112.99146	3.4
116.98639	4.7
119.08617	1.8
121.10147	1.7
127.03948	3.4
128.98656	1.4
131.00218	3.2
134.99663	3.4
135.08037	1.4
149.01242	2.3
158.99609	2.8
159.08057	4.1
161.52071	1.5
163.11201	3.7
173.01242	2.4
177.00748	4.6
177.09082	1.7
237.07915	1.9
239.02029	1.8
245.15419	3.2
249.08133	1.6
253.03844	3.6
263.09540	3.6
263.16464	3.7
267.08920	1.7
281.03223	1.7
281.10638	11.9
291.05292	1.4
295.12186	1.9
299.11722	6.7
307.12308	1.8
323.11716	6.4
337.13086	1.4
341.12714	4.1
443.16180	7.8
456.56134	1.7
461.16882	13.0
469.10147	11.5
469.17557	5.0
485.17282	5.4
487.11490	2.6
529.16809	100.0
530.17450	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03550	0.6
53.03931	1.7
55.01873	1.2
57.03434	0.8
59.07610	0.5
67.05499	0.8
69.03427	7.7
69.26402	0.5
71.04986	1.0
71.42533	0.5
73.02903	0.6
79.05480	0.6
81.03417	7.5
81.07043	0.7
83.04951	0.5
85.02904	9.1
87.00829	4.6
91.05474	1.1
93.07018	0.9
95.08627	0.9
97.02878	4.4
99.04446	1.4
105.01862	2.2
105.07032	1.9
107.08574	0.8
109.02859	4.0
117.01839	0.7
119.08572	1.5
121.10130	2.1
123.04394	0.6
123.08068	0.8
127.03918	6.2
129.01877	0.7
129.07048	1.1
131.08551	0.9
133.06458	1.1
133.10091	1.2
134.38503	0.5
137.05981	1.6
143.08479	1.2
145.04936	2.2
145.06468	0.7
145.10126	0.7
147.08029	1.1
147.11656	1.3
149.09615	9.3
151.07532	2.3
157.10168	0.7
159.02908	3.0
159.07990	0.7
161.05971	9.0
161.09621	1.2
161.13216	2.8
163.03854	0.6
163.07523	1.0
165.05449	1.1
171.11697	2.1
174.10399	0.8
175.07539	1.1
175.11197	3.3
179.07043	10.0
184.10367	0.5
188.08363	1.4
189.09116	1.8
189.12706	10.2
193.04979	1.4
195.52063	0.6
199.11188	2.4
202.09889	1.7
203.10651	15.6
207.06516	13.5
217.12227	100.0
218.12497	1.9
231.04996	0.8
231.10181	6.5
235.13266	4.1
245.11725	37.8
246.12140	0.9
249.11142	0.8
263.12778	48.8
264.13159	1.1
281.13824	46.5
282.14200	0.8
289.15518	0.7
335.35892	0.6
367.10605	0.6
430.24185	0.6
464.98987	0.6
511.25116	0.9
529.15192	0.8
529.26459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.262
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
105.71770	1.6
123.56607	1.5
140.38106	1.5
147.77759	1.6
203.05409	3.4
305.21231	2.5
321.20410	6.3
325.89127	1.9
349.19754	2.5
367.20908	28.2
373.20261	1.6
387.46497	1.7
467.26251	2.6
529.26227	100.0
530.26794	3.2
530.38782	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	529.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20650	0.7
65.61866	0.6
68.86700	0.6
69.07060	0.7
81.07059	0.8
83.08694	0.7
85.02921	0.7
89.91222	0.6
93.07037	0.8
97.02873	0.7
97.06480	0.8
101.64097	0.7
103.48499	0.5
105.07034	0.9
127.03912	0.8
163.03917	1.2
326.73825	0.7
351.26132	0.7
485.27069	0.9
497.17899	0.9
498.17523	0.7
511.19064	0.7
529.27142	3.9
529.33429	100.0
530.33612	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	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03930	1.9
53.39017	0.6
55.01858	1.7
55.05507	12.8
57.03432	3.8
57.07060	2.8
57.63488	0.7
65.03935	1.9
67.05496	53.3
69.03417	0.8
69.07059	17.3
71.04981	3.8
73.23959	0.6
77.03916	1.2
79.05482	39.7
79.98755	0.5
81.03374	0.5
81.07047	59.5
83.04964	2.8
83.08610	10.3
85.06529	3.0
91.05466	24.2
92.29543	0.6
93.07033	54.7
95.04963	7.7
95.08594	28.6
97.06524	6.5
97.10163	2.4
98.22678	1.8
99.08073	2.9
105.04499	2.3
105.07014	14.0
107.08578	25.5
109.06484	2.0
109.10138	9.0
111.08054	6.0
113.09636	0.9
117.07005	9.4
119.06108	0.5
119.08561	10.5
121.06443	0.7
121.10123	25.0
123.08057	1.4
123.11693	3.1
125.09650	1.3
129.06979	1.6
131.08537	12.2
131.09445	0.8
133.10107	10.3
135.08064	1.0
135.11673	14.1
139.11180	1.5
141.06918	0.7
142.57973	0.6
143.08556	2.0
145.10120	8.6
147.11670	5.0
149.09689	0.6
149.13231	29.5
155.08543	0.7
157.10042	2.6
159.11684	16.8
161.13239	4.1
163.14818	1.6
167.14354	1.3
169.10155	1.9
171.11705	2.5
173.13239	5.5
175.14827	0.9
177.12706	5.7
179.14323	0.7
183.11691	1.5
185.13261	1.9
187.14795	2.6
195.13768	7.9
197.13351	1.0
199.14778	1.1
201.16353	1.1
209.13261	0.6
211.14778	0.9
213.14751	0.7
213.16467	0.8
241.19449	0.5
243.21083	1.8
261.22089	6.3
269.17432	1.3
299.23734	1.0
317.24841	2.4
339.26688	0.6
419.32986	1.3
437.34067	4.2
455.35294	2.0
473.36343	1.2
511.37738	2.9
529.38806	100.0
530.39215	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	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.4
51.57574	1.1
53.03941	2.5
55.05509	16.2
57.03434	3.8
57.07076	3.5
59.04993	1.0
65.03935	4.1
67.05499	59.1
69.07066	20.5
69.83805	1.5
69.84143	2.8
70.06584	1.7
71.04987	2.4
71.08624	2.1
79.05486	47.2
81.03415	1.9
81.07049	63.2
83.04993	3.6
83.08615	8.9
85.06541	3.2
87.04459	7.5
91.05470	29.1
93.07039	57.2
95.04959	9.0
95.08593	31.9
96.46633	1.4
97.06520	7.4
97.10175	2.9
98.23445	1.3
98.28619	1.1
99.08083	1.7
105.04550	3.8
105.07021	20.7
107.08579	30.5
107.09255	2.1
109.06536	2.6
109.10146	10.7
111.08070	3.6
117.07008	9.7
117.07769	1.5
119.08569	16.7
121.10136	26.6
123.08133	1.9
123.11717	2.8
125.09593	1.4
128.06207	1.6
129.07037	3.7
131.08554	16.1
133.10129	14.6
135.07976	1.2
135.11696	12.1
139.11163	1.2
143.08559	3.8
145.10101	10.7
147.11674	7.4
149.13240	21.2
155.08598	2.8
157.10164	4.6
159.11664	14.2
161.13290	3.4
169.10143	3.1
171.11737	4.0
173.13239	5.4
175.14847	2.3
176.16199	1.0
177.12794	2.9
183.11688	2.0
185.13239	3.5
187.14841	3.0
195.12198	1.2
195.13766	6.5
198.97464	4.7
243.21121	1.3
256.26352	11.9
261.22217	3.3
314.21121	1.1
317.24939	1.3
419.32874	2.0
437.34216	5.7
455.35370	2.7
485.53033	1.3
511.37747	3.7
529.25769	2.8
529.38892	100.0
530.39185	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	530.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01823	1.2
65.03939	3.4
66.10094	1.1
67.05504	2.1
69.03403	2.2
70.06575	1.4
81.03409	6.9
83.72124	1.3
85.02894	3.8
86.98550	1.2
93.03419	1.4
95.04964	3.0
97.02874	1.5
97.06484	1.4
98.60271	1.1
110.03702	2.1
120.80849	1.1
125.05943	1.5
139.03983	1.4
140.04704	5.4
152.41631	1.3
153.05472	3.6
155.07034	4.0
163.03893	1.4
167.93498	1.3
171.06546	5.4
181.04941	100.0
199.06027	3.6
301.26816	1.3
325.09186	5.0
343.10263	4.8
530.13312	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	530.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61623	0.9
58.54631	0.9
69.03450	1.2
69.74241	3.7
70.06601	1.0
79.71701	0.8
81.71629	0.9
85.02898	4.4
91.05458	1.6
94.04198	1.4
97.02869	1.9
98.22678	1.0
99.04422	1.0
109.02841	1.0
111.05560	4.2
122.03652	4.9
123.04429	3.4
124.05219	1.2
125.07107	1.1
131.04893	1.8
131.91277	0.9
137.05965	100.0
138.06311	1.4
145.05000	1.9
151.07541	3.1
152.04649	1.2
153.05524	1.2
153.06911	1.2
155.08472	1.0
161.05969	1.4
163.07527	2.2
165.07013	3.3
167.07022	96.8
168.07321	2.2
179.07042	1.9
180.08575	1.2
183.07986	4.6
184.37585	0.9
190.34741	1.0
207.04482	1.6
211.07527	4.3
215.10577	1.1
225.05864	1.0
239.06949	1.6
243.10217	3.7
252.13509	1.0
255.10318	1.1
271.09601	5.6
283.09680	1.8
303.12238	25.7
313.93723	1.0
315.12250	5.9
333.13483	1.8
483.96777	1.1
530.19104	3.2
551.31921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01860	4.5
55.05507	2.2
55.85287	1.5
57.03430	2.4
61.02908	2.6
67.05492	4.8
67.66581	1.5
69.03407	11.6
69.07076	1.7
69.18011	10.0
71.04987	2.0
79.05473	3.6
81.03416	12.3
81.07032	7.6
83.04944	2.9
85.02894	21.1
85.27180	1.6
87.00826	11.1
91.05460	4.9
93.07027	5.0
95.04960	3.0
95.08636	7.4
97.02875	10.4
99.04455	9.0
105.01865	6.6
105.07038	3.3
107.08571	5.4
107.96381	1.9
109.02869	27.2
109.06520	4.5
109.10146	10.9
111.04443	2.2
117.01948	1.6
117.07014	2.5
119.04909	2.9
119.08573	5.3
121.06503	3.9
121.10156	2.0
123.04365	2.1
125.05991	1.8
127.03912	16.3
129.07002	1.7
131.08597	6.5
133.06506	1.9
133.10176	2.6
134.66721	1.6
135.04381	2.2
135.08043	5.4
135.93073	1.8
137.05992	3.8
137.09599	9.5
141.06984	2.1
143.08478	1.9
145.04980	6.6
145.06441	8.8
145.10109	3.0
147.04456	5.0
147.08037	2.2
148.73962	1.6
149.05972	1.9
149.09564	2.8
151.07535	3.9
155.08559	2.4
157.10118	1.6
159.02864	4.8
159.08069	5.0
159.11703	3.5
161.05930	15.4
161.09608	3.2
162.06760	2.6
163.03928	4.8
163.07504	4.7
165.05457	4.5
173.06021	2.1
173.09610	2.7
173.13255	5.8
175.07498	3.2
175.11322	1.6
177.05417	2.9
181.56949	1.5
183.11673	4.5
187.07497	2.7
187.11168	3.4
189.08981	1.7
191.07021	26.6
191.14285	2.9
201.12677	10.7
211.11189	6.6
214.09894	2.9
217.12239	9.0
219.13779	11.2
229.12228	50.7
231.04977	3.9
247.13274	77.4
248.13750	2.3
265.14334	100.0
266.14682	2.2
341.34280	1.8
343.41794	1.7
530.25922	2.5
546.04266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.5
57.03439	0.4
57.07056	0.5
61.38515	0.4
65.03922	1.0
67.05498	4.3
69.03413	1.0
69.07058	0.4
69.75447	1.1
70.06599	0.4
71.04629	0.6
71.04988	7.2
79.05501	1.2
81.03412	0.5
81.07041	2.8
83.04974	0.5
85.02882	1.3
85.06535	10.5
88.91351	0.3
90.85484	0.4
91.05480	7.6
93.07043	1.0
95.08558	0.5
105.07024	3.3
107.08597	3.1
109.06506	0.7
109.10138	4.6
117.01788	0.3
118.52473	0.3
119.04935	14.7
123.11697	1.2
127.03973	0.4
133.09174	0.6
133.10121	9.2
147.04398	100.0
148.04744	1.4
151.11179	7.0
163.04033	0.4
165.05475	0.8
169.12228	7.3
185.04128	0.9
187.13287	14.1
309.09665	0.9
333.16913	3.5
368.15515	0.8
468.20578	0.5
511.20297	0.3
530.20831	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	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38758	3.3
54.35949	2.5
55.05514	23.2
57.03437	4.4
67.05492	5.6
69.07057	11.4
69.15775	12.4
69.16176	6.0
73.06548	8.7
79.05479	10.1
80.67489	3.0
81.07024	13.9
83.04989	23.8
85.06533	5.0
91.05489	20.9
93.07036	27.5
95.04976	8.4
95.08602	13.6
99.04453	11.4
101.06017	45.5
105.07024	48.5
106.81485	2.9
107.08585	14.8
109.06515	4.3
109.10129	4.6
117.07021	12.3
119.07085	13.8
119.08542	31.8
121.10123	6.9
128.06219	8.0
129.06992	14.9
131.08548	33.2
133.10123	44.8
135.11671	8.7
142.07747	14.6
143.08575	25.9
143.59326	2.8
145.10118	41.3
147.10719	2.7
147.11604	15.6
148.08841	3.0
149.13254	3.2
156.09366	3.3
157.10106	40.4
158.10739	2.7
159.11650	22.3
161.09583	17.3
161.13292	3.4
171.11647	6.9
173.13254	12.4
175.11168	8.3
175.14813	9.8
177.12727	3.9
179.68388	2.4
189.16299	21.6
199.14775	32.9
201.11125	3.2
217.15865	100.0
218.16269	3.1
235.16905	7.9
259.20532	8.6
279.05441	3.1
281.31232	2.8
351.25378	6.1
502.07471	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	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.05514	20.3
57.03436	12.9
67.05508	24.1
69.03410	10.4
69.07075	5.8
69.61974	14.3
71.04971	6.5
74.46581	4.5
74.61766	5.2
79.05502	32.4
81.03410	70.1
81.03834	6.2
81.07055	33.6
83.04958	23.6
83.08620	27.0
85.02898	44.2
87.00809	9.3
90.90614	4.4
91.05485	36.9
93.07037	21.0
95.04965	42.3
95.08603	9.6
97.02921	5.7
105.01842	6.7
105.07014	29.1
107.04930	6.0
107.08635	12.2
109.06519	6.2
111.04522	5.7
111.08055	18.7
119.08567	24.8
121.10170	14.2
129.07008	14.9
131.08582	17.8
131.81221	4.6
133.10159	15.1
142.07788	5.3
147.11685	16.5
149.09633	9.3
157.10123	28.8
173.05528	5.1
175.11205	18.1
186.85027	4.6
187.44041	4.6
193.12268	54.8
211.13261	100.0
232.63158	4.7
267.15924	21.2
285.16931	85.4
459.27399	7.5
477.28540	7.3
495.29657	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	531.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00403	1.4
66.69481	1.8
68.32079	1.5
69.15993	8.7
82.00311	1.3
90.78460	1.3
91.05477	7.6
94.38062	1.3
98.23517	2.5
127.00113	2.1
169.01041	3.1
169.04716	1.7
172.98439	1.8
173.99258	5.6
175.00037	11.0
227.05215	2.3
271.04126	5.0
290.93906	1.7
337.05264	7.1
379.06238	12.7
423.05316	100.0
424.05753	3.5
469.11258	1.7
487.12036	4.1
513.09930	12.1
528.00031	1.7
530.37341	2.4
531.11023	42.1
531.23761	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1473
Annotation	3,5-Dicaffeoylquinic methyl ester
Peak:m/z	Relative Intensity
50.55174	2.0
51.53113	1.8
58.22048	1.9
70.18204	1.8
71.78394	1.8
81.04529	2.1
110.04794	2.2
111.05599	9.6
125.07126	6.2
137.05963	5.7
138.06282	2.3
148.36694	1.7
167.07054	5.9
168.07489	3.3
179.04893	3.9
210.79198	2.0
356.43307	2.3
531.14728	100.0
532.14984	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	531.1836
Annotation	Isoswertisin 2''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
55.11211	0.3
69.09364	0.3
74.09727	0.6
86.56358	0.4
105.07050	0.4
119.04945	0.4
139.03960	0.5
147.04404	1.1
149.05838	0.4
151.03870	0.7
153.23563	0.4
163.03900	0.9
223.09363	3.5
242.73576	0.3
247.50626	0.3
249.11005	0.6
331.07779	0.6
338.35718	0.4
349.08896	0.7
388.81168	0.3
469.18970	0.3
531.18323	100.0
532.18414	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	531.1839
Annotation	Isoswertisin 2''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
69.24881	3.2
69.25284	4.7
78.68230	1.1
79.05483	1.6
97.10123	1.4
107.08566	1.3
121.51213	1.5
126.41012	1.2
127.03870	1.6
213.97902	1.3
243.33640	1.4
318.50284	1.4
350.30789	1.3
351.04889	4.5
367.13739	2.4
431.13095	20.3
468.11615	1.7
530.33826	3.6
531.18341	100.0
532.18536	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	531.2203
Annotation	Gomisin D
Peak:m/z	Relative Intensity
58.45900	0.4
69.03436	0.4
69.42294	1.8
81.03420	0.8
85.02892	0.6
97.02854	0.4
98.22728	0.6
105.01846	0.4
127.03948	0.6
133.10168	0.6
145.10059	0.4
151.03839	0.4
175.03964	0.7
189.12910	0.5
207.06592	0.4
225.39194	0.4
269.92102	0.4
321.25653	0.4
323.07492	1.0
350.25781	0.4
531.22009	100.0
532.22400	5.2
533.77893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.1
63.84997	1.5
64.28210	1.5
65.67099	1.5
67.05491	6.9
69.07036	2.5
75.14062	1.6
79.05479	5.5
81.07048	5.1
83.04990	2.0
91.05473	6.2
93.07046	4.4
95.04956	3.1
95.08566	2.7
98.23047	1.6
105.07027	3.4
107.08601	3.5
118.12527	1.5
119.08585	1.8
131.08568	3.7
133.10098	2.0
147.11613	1.8
149.13290	1.8
157.10208	1.9
173.13304	1.5
187.25917	1.7
188.83752	1.7
195.00166	3.1
195.19148	2.0
223.09262	1.8
239.06750	32.2
271.11072	3.4
277.48059	1.8
283.44592	1.7
331.12970	100.0
332.13235	2.9
355.31088	1.6
462.88260	1.6
463.30222	1.8
471.21182	1.9
531.23438	62.2
532.23505	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	531.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.4
67.89651	2.2
70.13271	4.9
70.13615	3.6
77.38966	2.1
81.07017	3.7
83.04963	4.6
85.42122	2.5
91.05464	7.0
93.07095	2.3
95.04970	4.0
96.16727	2.0
97.28773	2.2
100.73055	2.1
105.07040	5.0
111.08073	2.0
117.06982	3.7
121.10155	2.7
123.04179	3.3
130.90138	2.5
131.08513	3.1
133.10141	3.6
145.10124	5.0
149.09654	2.0
173.09557	2.5
180.32541	2.1
223.09366	49.9
239.06789	33.5
271.13019	15.7
309.44943	2.0
331.15308	100.0
332.15372	4.8
371.15204	2.3
422.83182	2.3
520.24976	2.4
531.25800	7.7
531.36664	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	531.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53554	0.5
65.03929	0.6
67.05503	0.9
69.16850	1.5
69.17267	2.8
79.05492	1.1
81.07039	0.9
83.01077	0.9
83.05001	0.7
91.05448	2.8
91.57787	0.6
93.07010	2.0
95.04959	10.5
95.08599	0.8
97.05473	0.6
97.06516	1.5
105.07002	4.3
107.08560	1.6
109.06516	4.0
109.10123	0.7
117.06973	2.2
119.08566	2.0
121.10143	0.8
123.04174	4.4
128.06128	0.6
130.07771	1.1
131.08559	1.9
133.06470	2.5
133.10046	0.7
135.08029	1.6
143.08546	1.3
145.10129	4.5
147.08012	0.6
149.09607	2.1
153.09076	0.7
173.09618	2.8
175.07323	0.8
177.09056	1.0
185.13332	0.8
189.12636	1.0
191.10616	1.2
213.12668	1.0
223.09386	100.0
224.09763	2.2
231.13756	1.3
271.13025	47.9
272.13428	1.5
311.56628	0.6
318.12134	0.8
331.15112	73.1
332.15326	2.1
372.17700	0.7
471.23318	1.1
531.25610	16.9
531.73877	0.7
532.25867	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09949	0.7
60.18958	0.6
79.05490	1.1
81.07053	1.5
83.01090	1.0
83.04970	0.8
91.05473	4.0
93.07048	1.6
95.04958	3.3
95.08545	1.0
98.23618	0.6
105.03445	0.7
105.07027	4.2
107.08615	0.9
117.07021	2.3
119.08584	1.3
123.04146	1.3
129.06973	1.8
130.07777	1.5
131.08571	2.3
133.06480	1.1
135.08052	0.8
143.08594	2.0
145.06401	0.8
145.10135	3.4
147.08046	0.8
155.08603	1.4
169.95256	0.7
173.09599	3.9
193.95462	0.8
222.23450	0.8
223.09399	42.1
224.09685	0.9
271.13031	17.0
271.15753	1.4
272.13428	0.7
331.15140	100.0
332.15649	4.1
408.55814	0.7
448.63306	0.8
531.25409	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	531.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.05505	7.5
57.03425	3.1
57.07056	1.9
65.80253	0.6
65.90798	0.7
67.05165	0.9
67.05503	14.3
69.03426	0.7
69.06757	0.8
69.07067	8.6
74.35335	0.7
79.05485	4.8
81.07051	15.0
83.08604	5.1
91.05453	3.2
93.07049	4.5
95.08598	10.0
97.06521	0.7
97.10130	1.0
98.23417	2.0
105.00068	1.9
105.07011	2.1
107.08564	2.2
109.10144	2.9
114.68749	0.8
115.03640	1.5
119.08581	1.6
121.10136	1.2
123.11698	1.3
133.10120	1.5
135.11626	1.2
147.11699	1.1
161.13176	1.2
176.99228	3.4
182.27243	0.7
195.00285	100.0
204.72650	0.6
213.00154	0.8
225.16263	0.8
244.56578	0.7
269.04144	0.7
337.27347	20.8
359.25360	0.9
513.25751	1.0
531.26825	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	531.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65435	0.4
52.54804	0.4
53.14919	0.4
54.56221	0.4
55.05501	0.6
57.24664	0.5
59.20036	0.4
61.05464	0.4
67.05480	0.5
72.04118	0.5
80.20918	0.4
85.02879	0.9
91.05463	0.7
94.61690	0.4
105.07019	0.5
108.49574	0.4
120.30749	0.5
127.03974	0.5
145.10127	0.6
180.90614	0.5
203.05188	0.7
309.17386	0.7
351.28665	1.2
445.27249	0.6
462.78146	0.6
487.28745	1.5
508.10049	0.5
513.33594	0.5
531.27753	8.0
531.34961	100.0
532.28204	0.9
532.35199	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	532.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	23.4
55.01856	4.7
55.05505	2.4
57.03435	3.2
61.02911	3.2
67.05504	1.7
68.99775	3.5
69.03426	21.2
69.55166	4.0
71.04985	5.9
73.02917	7.0
79.05510	1.3
81.03413	42.1
81.07044	1.4
82.03764	1.3
83.04990	3.0
85.02899	56.0
87.00347	2.5
87.00830	31.4
91.05484	1.7
97.02890	39.4
99.04446	21.3
103.03937	9.5
105.01241	2.0
105.01869	24.6
105.07026	6.1
106.94398	1.4
109.02873	84.1
109.06472	1.4
117.01874	2.2
127.03909	100.0
129.01836	3.7
142.58821	1.3
145.04953	28.5
147.02876	5.0
159.02849	15.6
162.92526	1.4
163.03888	2.0
163.06020	6.4
169.04858	1.7
177.03957	1.5
184.13881	1.3
187.06018	3.0
191.14317	2.5
213.03920	18.2
213.08955	1.7
221.33484	1.5
231.04973	39.1
231.13898	1.7
249.06012	8.0
249.14915	2.7
249.89633	1.5
253.07022	2.1
271.08081	1.6
273.06027	3.9
291.07028	9.9
339.07031	1.9
357.08041	3.7
375.09195	7.6
393.10278	10.9
420.31979	1.6
514.21600	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.9
55.01862	9.7
57.03434	6.6
69.03430	18.4
71.04993	3.8
72.13178	3.9
81.03396	20.2
81.07038	6.9
85.02905	44.6
86.46174	3.6
87.00832	20.2
91.05476	8.7
93.07036	3.9
95.08608	5.3
97.02901	18.4
99.04453	12.7
103.03934	3.7
105.01838	13.5
105.07014	40.4
107.08598	6.4
109.02880	25.2
112.82876	3.4
117.07005	7.3
119.08572	15.9
121.10139	4.2
127.03890	42.7
129.07014	6.9
131.08582	13.8
133.10135	20.8
140.55846	3.6
142.07756	13.4
143.08539	14.4
145.04951	13.2
145.10109	27.6
147.11684	30.4
156.09286	3.6
157.10118	80.8
158.10806	10.8
159.02892	11.8
159.11720	12.5
161.13245	5.7
173.09641	5.5
175.11160	37.3
175.14803	16.2
179.10956	3.3
179.13000	3.3
185.13237	52.6
191.10654	6.6
203.14307	46.9
213.03873	4.3
221.15312	14.3
225.14839	3.4
228.40237	3.8
231.04924	5.9
231.13782	100.0
249.14792	27.7
267.15927	5.8
372.85953	3.7
433.84372	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	532.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.5
53.47035	1.7
55.01871	7.4
55.05508	6.3
57.03426	5.2
61.02930	2.9
65.03929	2.2
67.05504	18.8
69.03424	40.6
69.07071	6.5
71.04990	5.4
73.02931	5.5
79.05483	10.2
81.03405	33.8
81.07062	20.5
83.04985	11.3
85.02896	85.4
87.00815	25.4
91.05464	10.2
93.07043	12.2
95.04972	11.4
95.08595	12.9
97.02890	22.6
97.06514	2.7
99.04440	15.6
105.01862	22.5
105.07034	17.2
107.04941	2.1
107.08588	18.8
109.02875	32.5
109.03558	3.2
109.06513	23.6
109.10144	69.2
111.04461	10.8
117.01826	4.5
117.07021	3.7
119.04939	2.5
119.08586	14.0
121.06487	4.3
121.10126	13.7
123.04373	2.4
123.08068	4.2
123.11689	8.7
125.05939	3.3
127.03899	40.9
129.06993	2.7
131.08562	7.9
133.10141	8.2
135.04398	2.1
135.08043	6.3
135.11688	4.1
137.06033	2.9
139.03894	9.6
142.07779	3.3
143.08554	8.3
145.04956	14.8
145.10104	12.2
147.04405	13.4
147.08066	4.2
147.11673	10.4
148.04744	5.4
149.09622	4.3
151.07549	2.5
156.09305	2.4
157.10136	6.5
159.02905	15.8
159.11699	7.2
161.05968	3.3
161.09625	2.7
161.13292	2.9
163.03862	3.8
163.11140	2.2
165.12741	37.1
170.10988	2.7
171.11742	3.4
173.09619	3.1
173.13264	3.8
175.07533	7.0
175.14827	6.5
185.13263	7.9
187.05170	1.9
187.14847	4.0
189.12700	2.5
191.10783	2.0
191.14360	4.0
201.12543	2.4
203.14285	26.8
213.12762	7.5
221.15384	5.2
224.25366	1.8
231.05025	10.7
231.13773	51.8
231.17270	2.8
249.14832	100.0
250.15176	3.5
267.15860	3.7
268.67020	2.1
273.14865	3.3
324.89679	1.8
386.15094	2.0
532.18549	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	532.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36862	1.5
53.03941	11.2
53.15908	1.5
55.01869	6.4
55.05499	5.4
57.03426	5.5
61.02925	2.9
62.06092	1.7
67.05505	3.2
68.99812	2.2
69.03423	25.4
69.07048	2.0
70.06588	3.0
71.04980	4.3
71.26314	1.4
71.41923	1.8
73.02913	7.2
77.88434	1.5
79.05492	3.1
81.03410	25.6
81.07048	6.6
83.04974	3.6
84.05410	1.5
85.02897	43.7
85.06535	4.6
86.09698	3.4
86.36758	1.6
87.00826	23.2
91.05451	7.8
92.83482	1.5
93.07044	7.6
95.04971	4.1
95.08611	6.6
97.02885	16.5
97.06518	2.8
99.04470	9.2
105.01851	13.4
105.07023	47.7
107.04962	1.6
107.08616	8.6
109.02869	29.3
109.06519	3.4
109.10179	2.5
111.08085	1.7
115.05441	1.9
117.01847	5.7
117.06989	10.8
119.08563	16.4
121.06550	3.1
121.10139	3.8
123.08094	2.8
127.03907	34.2
128.06189	3.4
129.01793	2.3
129.07013	8.6
130.07784	2.7
131.08560	14.7
133.10118	20.2
135.04396	4.7
135.08105	1.9
135.11694	1.8
141.06950	2.4
142.07770	15.4
143.08559	13.5
145.04979	7.4
145.10118	26.5
147.02919	1.7
147.08057	2.4
147.11670	31.5
149.09592	4.5
155.08487	3.3
156.09340	2.4
157.10109	80.2
158.10870	7.0
159.02908	12.5
159.11667	9.9
161.09570	3.0
161.13257	5.2
163.03885	25.7
167.07005	3.9
170.10864	4.6
171.11621	3.0
173.09602	4.8
173.13234	3.0
175.11183	32.8
175.14775	17.5
185.13223	49.3
187.14838	3.1
189.12723	4.1
191.10641	5.0
203.14288	47.3
205.12183	2.8
207.13838	1.9
213.03865	2.5
213.09207	2.3
213.12706	5.8
215.10669	2.8
219.10251	2.4
221.15300	9.1
231.05025	5.1
231.13776	100.0
232.14172	4.3
233.15347	1.8
249.14839	27.3
261.11209	9.7
267.15793	3.3
538.13068	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18101	1.8
51.02349	1.8
53.03942	29.8
55.01865	12.9
55.05499	4.6
57.03425	9.8
57.25251	1.9
58.37454	1.9
59.63721	1.8
61.02927	7.4
68.99779	9.2
69.03422	52.7
69.07076	2.4
69.56121	4.0
69.56502	4.5
71.04978	8.8
73.02891	10.2
79.05486	4.5
81.03409	66.6
81.03893	3.5
81.07046	7.1
83.04999	4.8
85.02898	100.0
85.06565	2.2
85.08202	2.0
87.00820	48.7
91.03927	4.9
91.05489	8.8
93.07044	8.9
95.08600	7.1
97.02884	55.6
97.06527	5.2
98.22754	4.6
99.04446	20.7
105.01861	39.0
105.07024	47.9
107.08559	14.4
108.04461	4.6
109.02869	88.6
109.06471	4.0
109.10180	2.8
115.18996	2.1
117.01815	4.5
117.06994	3.2
119.08572	39.6
120.32665	1.9
121.06504	2.4
121.10136	3.7
123.00346	2.1
123.08068	9.2
127.03905	98.4
129.01843	5.3
131.08559	10.0
133.10117	25.4
142.07755	5.9
143.08545	6.9
145.04947	22.5
145.10123	17.3
147.02878	4.2
147.08081	2.8
147.11667	76.9
147.12846	3.7
149.09625	2.8
152.07030	3.5
156.09320	2.8
157.10114	30.4
159.02873	24.6
159.11685	9.1
161.09676	2.7
161.13274	13.6
163.03949	3.0
165.09166	3.9
170.10857	3.2
171.11783	5.2
173.09576	3.1
173.13327	2.4
175.11160	26.9
175.14809	31.2
177.04030	2.8
185.13266	16.5
203.14272	55.1
213.03954	6.6
213.12782	2.8
221.15334	35.6
231.04997	15.2
231.13776	42.7
249.14865	32.6
267.15863	3.9
301.01639	2.1
532.23224	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01872	2.8
55.05512	3.3
57.03441	1.6
61.02927	1.4
65.03917	1.8
65.58136	1.0
67.05504	18.2
69.03425	12.8
69.06210	2.4
69.06613	7.7
69.07088	3.0
71.04984	2.6
72.60827	1.3
73.02906	1.4
79.05492	7.5
81.03407	8.9
81.07053	17.4
83.04950	7.0
85.02898	19.4
85.06522	2.3
85.10866	1.1
87.00826	6.3
91.05485	10.3
93.07039	9.9
95.04963	9.3
95.08598	12.6
97.02895	7.4
97.06522	3.5
98.23459	2.0
99.04468	3.4
105.01874	4.7
105.07022	15.6
107.04952	2.2
107.08588	11.8
109.02866	15.7
109.06522	9.6
109.10150	100.0
110.10494	2.2
111.04442	9.3
117.07021	6.8
119.08585	14.9
121.06520	2.0
121.10152	5.1
123.04440	3.8
123.08085	2.1
123.11691	9.3
125.06046	1.6
127.03903	12.1
127.04636	1.2
128.06247	1.3
129.07027	3.4
130.07771	2.3
131.08554	20.5
133.10156	6.9
135.11674	1.9
137.05975	2.8
139.03883	23.3
142.07758	2.0
143.08580	7.7
144.09229	1.3
145.05000	2.4
145.06470	1.9
145.10115	22.7
147.08083	4.9
147.11694	6.9
149.05936	2.4
151.07581	1.5
153.09055	1.7
155.08647	1.7
156.09386	1.7
157.06635	1.6
157.10074	7.8
159.02924	3.7
159.11646	6.7
161.05978	6.5
161.09586	3.4
161.13235	4.3
163.07562	3.5
163.11101	1.5
164.56485	1.3
165.09079	2.2
165.12755	12.6
170.10963	2.5
171.08070	1.7
171.11670	1.4
173.05771	1.2
173.09613	3.2
175.07585	7.1
175.11188	1.8
175.14801	2.9
185.09599	1.4
185.13235	6.4
187.14799	18.4
189.12715	1.8
195.11716	3.1
203.14296	49.7
205.15919	2.3
211.11214	1.6
213.12677	8.2
221.15230	5.8
229.12326	1.6
231.13785	73.6
249.14839	68.4
250.15179	1.7
255.13818	2.2
267.15955	5.3
273.14914	3.4
298.79810	1.2
357.16959	1.5
392.62766	1.2
427.07819	1.8
505.88422	1.2
532.28119	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	533.1477
Annotation	Trichotomine
Peak:m/z	Relative Intensity
58.22245	0.5
69.21208	2.9
70.06598	0.5
72.08163	1.4
77.30604	0.5
81.03446	0.8
85.02901	0.8
96.95974	0.5
109.02864	0.7
111.05541	0.5
127.03928	1.2
137.05965	1.1
269.03833	0.5
269.06204	2.4
287.07431	10.9
306.08105	0.5
315.07034	0.6
398.93820	0.5
428.59821	0.6
473.12601	2.8
533.14697	100.0
534.15179	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	533.1628
Annotation	Orientin 2''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
69.03424	0.7
71.22380	0.5
73.57106	0.4
85.02886	0.6
97.02827	0.6
98.23451	0.5
127.03863	0.8
140.63408	0.4
167.03094	0.5
210.43771	0.5
217.12611	0.6
227.05368	0.6
238.09914	0.5
243.04782	0.8
245.06364	1.1
267.09995	2.1
285.10971	3.4
285.14142	0.7
287.03735	0.7
289.05267	0.7
291.03156	0.6
313.10635	0.7
351.81808	0.5
395.69229	0.6
447.16141	3.8
461.17889	1.2
489.17169	20.5
490.17844	1.1
517.75244	0.5
532.38989	0.5
533.16168	100.0
534.16589	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	533.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01863	1.1
57.03426	1.7
60.83244	0.6
61.02914	2.2
61.38820	0.6
66.15565	0.6
67.62519	0.6
68.35636	0.6
68.96320	0.6
69.03424	6.8
70.38733	1.3
78.04699	2.5
79.05492	11.7
81.03410	3.0
81.07045	1.9
85.02905	13.3
91.05486	3.4
95.04972	3.8
97.02895	4.5
99.04427	1.2
103.05450	3.0
104.06264	1.2
105.03390	0.6
105.07033	7.2
106.04188	1.6
107.04247	1.4
107.04948	20.0
107.08604	1.2
109.02865	2.5
111.08067	0.8
115.05456	4.8
116.06232	1.1
117.03355	1.0
117.07014	3.1
118.04146	1.6
119.04922	1.7
119.08553	3.4
121.06500	1.1
122.03671	1.1
123.04420	6.3
124.05213	6.1
125.05929	0.8
125.09622	1.2
127.03886	2.0
128.06213	4.3
129.06987	4.7
131.04912	5.1
131.08549	3.4
132.05692	3.3
133.06471	6.2
135.04414	1.8
135.08025	1.0
137.05984	1.9
140.04643	1.0
141.06955	1.7
143.04866	0.8
143.08556	1.2
143.13084	0.6
144.05687	1.3
144.09262	0.8
145.02856	1.7
145.04921	0.9
145.06532	1.6
145.10040	1.0
147.04387	1.8
147.08022	3.2
149.06017	1.2
151.03900	1.8
152.04669	2.9
153.05481	1.8
155.04890	0.9
156.05663	1.6
158.11000	0.8
159.08070	3.8
159.11702	10.6
160.05205	2.5
161.05986	7.4
163.03882	11.8
167.07031	100.0
168.07349	1.4
169.06499	1.9
171.08051	2.2
172.05164	0.8
173.13268	3.0
174.13994	4.0
175.07529	33.3
176.04736	1.5
177.05554	1.3
178.07742	0.8
179.06973	0.8
181.06467	1.2
184.05188	1.8
187.07539	14.4
189.07155	1.2
189.09135	2.6
189.38179	0.8
190.07736	2.9
191.07001	11.2
191.08519	0.9
191.14313	2.4
192.07770	0.7
193.08592	12.0
193.10077	0.9
199.07555	14.1
201.09093	2.4
202.07790	2.1
203.08571	3.6
204.09325	1.3
206.07275	1.8
207.08063	1.4
209.08037	1.2
209.15320	3.3
215.08659	3.5
217.08603	1.2
218.07300	3.2
219.08060	2.5
221.09636	1.8
230.07140	0.7
231.08023	4.0
232.08815	1.8
233.09572	5.6
234.06714	1.3
235.07465	2.0
243.07936	0.9
245.05946	0.8
246.06770	2.7
247.07481	2.4
249.09033	4.4
250.09828	1.8
251.07118	0.8
253.12108	1.0
259.07562	1.8
260.08273	3.8
261.09094	8.0
262.09827	1.1
263.07059	2.7
264.07797	0.9
273.09106	0.7
274.06268	1.2
275.07050	1.9
277.08591	4.4
278.09323	3.4
281.11713	5.5
288.07874	0.8
289.08566	7.7
290.09314	2.2
291.06757	1.5
291.10107	1.6
292.07233	0.7
293.08612	1.0
293.11621	5.6
294.08731	0.9
295.09735	1.3
303.10129	0.8
306.08923	2.4
307.09702	3.1
309.11206	5.6
311.86417	0.6
321.11188	15.5
322.12027	4.0
325.14297	2.4
325.17941	3.6
326.11429	2.0
338.11478	1.0
341.13812	14.5
353.13782	21.8
353.17245	1.1
355.15363	2.2
486.63287	0.8
533.21619	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	533.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01867	2.9
57.03429	2.6
61.02915	2.7
68.99786	1.5
69.03426	16.0
69.15337	5.9
71.04981	1.3
73.02909	2.5
81.03402	11.3
85.02897	19.8
87.00826	9.3
91.03947	1.0
97.02873	8.2
99.04444	3.9
105.01865	4.4
109.02876	13.2
127.03909	14.2
129.01782	1.7
143.46797	1.1
145.04947	3.9
147.02890	1.8
149.29337	1.0
157.10255	1.0
159.02879	5.6
165.06972	2.2
166.07751	1.1
169.10115	1.0
178.07742	3.0
179.08508	6.8
180.09309	2.1
181.10103	3.1
191.08473	5.6
192.09283	5.6
193.10059	7.2
194.10786	1.5
195.08000	2.6
197.09642	2.0
203.08603	1.9
204.09294	4.0
205.10039	2.6
206.10820	9.3
207.08035	3.6
207.11639	2.4
208.08838	7.9
209.09615	6.9
211.07520	4.2
211.14815	1.6
213.09169	1.8
215.08530	1.8
216.09312	7.0
217.10013	1.1
219.08052	8.4
219.11646	4.4
220.08850	6.4
221.09702	9.4
221.13226	21.4
223.07509	1.4
224.08278	3.2
224.11887	1.3
225.09094	2.7
226.09859	8.2
228.09477	1.0
231.05017	2.6
231.11691	3.4
232.08844	2.3
233.09630	3.0
234.10362	11.1
235.11073	1.5
237.09088	3.0
237.12807	2.4
238.09924	8.5
239.10606	11.1
239.14386	2.9
247.11111	8.5
249.12729	42.0
250.13231	1.3
251.10664	1.0
252.11429	6.7
256.11023	1.2
257.11609	1.9
261.12616	0.9
265.12228	12.5
266.12701	1.5
267.13779	69.9
268.14175	2.2
273.12701	2.1
279.13910	4.7
283.13290	3.3
285.14835	100.0
286.15176	2.6
291.13733	5.2
309.15002	5.9
327.15814	4.2
358.76328	1.1
375.15848	1.0
479.16409	1.3
533.20660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01862	1.0
57.03429	1.3
61.02903	0.9
67.69234	0.5
68.99777	0.6
69.03422	6.7
69.16822	1.8
69.17224	0.8
71.04987	0.8
73.02887	1.5
81.03412	6.6
85.02896	9.5
87.00828	4.2
97.02886	3.4
98.23532	0.9
98.57029	0.5
99.04432	2.3
105.01848	2.4
109.02883	6.2
115.03927	0.7
117.01840	0.5
127.03905	9.0
129.01819	0.7
145.04950	2.3
147.02896	0.9
155.08611	0.8
157.10060	0.6
159.02873	3.7
163.11537	0.4
165.06998	1.1
166.07832	0.6
167.08511	0.9
169.10162	0.6
178.06392	0.5
178.07791	2.0
179.08562	3.4
180.09372	1.0
181.10100	1.9
191.08539	3.1
192.09380	2.7
193.10088	2.8
194.07227	0.8
195.08037	1.7
195.11685	0.6
196.12343	0.6
197.09596	1.1
203.08556	1.0
204.09335	1.2
205.06445	0.9
205.10191	0.7
206.10886	6.8
207.08058	1.7
207.11668	1.0
208.08820	5.1
209.09587	3.2
209.13048	0.4
210.06750	0.6
210.10367	1.2
211.07529	2.2
211.14835	1.7
213.09076	0.5
215.08534	0.8
216.09288	3.4
219.08047	5.4
219.11630	1.1
220.08838	3.6
221.09709	3.5
221.13220	13.1
222.13383	0.5
223.07602	0.6
224.08237	1.0
225.09126	1.3
226.09850	4.7
231.04924	1.4
231.11682	2.0
232.08893	0.7
233.09555	1.0
234.10378	8.5
235.11037	0.9
237.09001	1.3
237.12737	1.8
238.09885	7.2
239.10651	7.0
239.14281	2.1
247.11183	2.0
249.12724	27.9
250.13025	1.0
252.11409	5.3
265.12213	6.1
267.13773	48.3
268.14145	1.1
271.13235	0.6
279.13800	1.2
283.13297	0.8
285.14822	100.0
286.15268	3.4
291.13696	1.0
309.14886	1.6
327.15924	0.9
412.23682	0.6
489.15076	5.2
515.19073	0.7
533.13513	3.4
533.20416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01856	0.8
57.03405	1.4
61.02918	0.6
61.88396	0.5
62.66857	0.4
63.09130	0.5
67.05495	0.6
68.99786	0.5
69.03423	8.3
69.57934	0.5
69.58268	2.1
71.04977	0.9
73.02897	1.2
81.03413	7.9
83.50275	0.5
85.02895	8.7
86.00629	0.7
87.00832	3.9
97.02872	3.4
98.99088	0.5
99.04427	2.2
103.05417	1.0
105.01848	2.0
109.02872	5.3
111.04385	0.7
117.01846	0.6
122.83544	0.6
127.03908	8.1
129.01833	0.6
129.06956	0.5
131.04936	3.9
137.05956	2.4
139.03955	0.5
142.85652	0.5
145.04977	2.5
153.06998	0.8
155.08485	0.9
157.09972	0.5
159.02826	3.1
163.07535	1.1
165.05788	0.5
165.07001	2.0
166.07794	1.1
167.06937	0.5
167.08546	0.8
169.10083	0.7
178.07703	1.3
179.08545	4.1
180.09312	0.9
181.06479	0.5
181.10112	2.1
182.10852	0.5
183.08064	0.8
189.03329	0.8
191.07010	1.0
191.08539	3.3
192.09247	2.9
193.06503	1.0
193.10077	3.5
194.07289	0.5
195.08047	1.9
197.09560	1.1
198.42531	0.6
202.07730	0.7
203.08559	0.6
204.09271	0.6
205.10139	0.9
206.10864	7.0
207.08034	1.9
207.11597	1.4
208.08836	4.8
209.09563	3.8
209.13171	0.5
210.10349	1.3
211.07530	2.4
211.14861	1.2
215.08508	1.5
216.09332	3.2
219.07993	4.9
219.11678	1.5
220.08766	4.0
220.60722	0.5
221.09715	4.6
221.13222	13.8
223.07529	1.2
223.14978	0.5
224.08264	0.9
225.09091	1.7
226.09846	4.9
231.04996	2.2
231.11624	2.2
232.08855	1.1
233.09576	1.5
234.10371	8.7
235.10806	0.6
237.09071	1.0
237.12816	1.7
238.09843	6.1
239.10617	7.4
239.14284	1.8
247.11189	3.0
249.12721	27.5
250.13116	0.5
251.10551	0.6
252.11353	5.2
253.12152	0.5
256.10941	0.6
265.12253	5.4
266.12952	0.9
267.13757	52.1
268.14023	1.6
271.13275	0.5
279.13748	1.3
283.13217	1.8
285.14819	100.0
286.15100	3.3
291.13861	1.1
297.14526	0.9
309.14871	0.8
327.15436	0.7
372.55170	0.6
497.18088	0.5
533.19910	0.7
559.17200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01881	1.9
61.00372	1.0
61.02903	1.0
69.03432	2.7
69.26125	3.6
77.03939	1.5
78.04708	3.0
79.05477	6.3
81.03425	2.5
81.07048	1.1
85.02896	6.2
87.00802	2.5
91.05489	4.6
93.07041	1.0
95.04952	3.8
97.02882	2.4
99.04447	1.1
103.05464	3.8
105.07027	9.8
106.04184	1.8
106.07314	1.3
107.04940	13.2
108.05254	1.0
109.02904	2.4
109.06536	1.5
111.33487	1.1
115.05477	3.5
119.08581	3.0
119.43185	1.1
123.04424	4.9
124.05213	3.4
125.06014	1.9
127.03918	3.5
128.06206	3.1
129.06982	7.3
131.04941	3.4
131.08505	2.2
132.05681	4.0
133.06491	6.9
133.10155	1.1
134.03636	1.4
134.10439	1.5
137.05965	3.2
142.07739	1.3
143.08516	1.9
144.05630	1.2
145.06512	2.3
145.10063	1.8
147.08040	3.9
147.11757	1.1
148.11998	1.4
149.05968	1.2
151.03911	3.3
152.04665	1.8
153.05473	2.3
157.10106	3.7
158.10480	3.3
159.03004	1.2
159.08047	4.3
159.11617	1.6
161.05931	7.5
163.03900	5.5
164.04276	2.6
167.07022	100.0
168.07320	1.2
169.06491	1.5
171.08089	2.7
172.05154	1.3
175.07541	23.6
175.11105	1.7
177.05463	1.9
185.05925	0.9
185.13261	3.5
186.13574	3.0
187.07507	20.5
189.06892	1.3
189.09090	1.9
190.07768	1.7
191.07034	8.1
191.08554	1.7
199.07503	9.0
202.07787	2.4
203.08583	2.8
203.14302	2.0
204.09267	1.1
204.14655	2.2
206.07298	1.6
207.07970	1.2
209.08052	1.3
215.08559	1.4
217.08521	2.2
218.07314	2.9
219.08057	2.2
221.09666	3.0
231.08026	2.1
231.13817	4.6
232.08911	1.3
232.14110	6.0
233.09659	3.9
234.06741	2.2
235.07594	2.0
245.05960	1.4
246.06796	2.4
248.08116	1.1
249.09103	4.4
250.09808	1.2
250.15114	1.7
251.07013	2.3
260.08340	1.6
261.09113	4.0
263.06934	1.9
263.11005	1.5
277.08563	2.7
278.09222	1.5
281.11734	7.2
289.08612	4.9
290.09366	1.3
291.06546	1.3
291.09961	0.9
306.08810	1.9
307.09467	2.3
309.11078	6.4
318.08206	1.1
321.11160	8.4
322.11957	1.7
326.11679	1.9
327.05093	1.1
341.13800	18.4
353.13828	12.6
369.06754	1.1
532.99274	1.1
550.18048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51065	1.9
69.68227	4.4
69.68587	3.5
87.15878	1.8
204.61629	1.9
219.02774	3.1
297.12473	39.9
460.18588	100.0
461.19012	6.6
489.71115	2.0
521.71838	2.3
533.21527	64.3
534.21649	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	533.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21047	0.6
69.74927	0.9
84.90148	0.4
85.02901	0.6
93.03364	0.5
97.02852	0.6
98.22758	0.5
109.02847	0.7
127.03755	0.7
131.83231	0.6
138.09084	0.5
185.04257	2.8
196.12750	0.5
201.03758	0.6
203.05220	1.3
213.73482	0.5
219.07886	0.5
239.10533	0.5
249.12788	1.0
267.13748	1.4
267.77740	0.5
270.38922	0.5
277.88617	0.5
285.14792	4.1
297.14597	100.0
298.15292	8.9
315.15634	1.4
338.17441	0.9
365.73529	0.5
371.18271	1.7
435.78687	0.6
445.18292	1.4
460.20676	58.5
461.21362	4.2
469.52081	0.6
533.23547	62.8
534.23840	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	533.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39836	0.4
50.91653	0.3
58.38256	0.3
68.91525	0.3
69.96808	0.6
69.97129	0.4
76.42456	0.3
81.97546	0.3
104.68376	0.5
144.38876	0.4
151.96642	0.4
185.04205	4.7
202.40421	0.4
203.05232	1.6
244.42615	0.4
250.15369	0.4
297.14587	100.0
298.15204	8.9
308.33649	0.4
309.18524	0.5
315.15649	1.4
338.17163	0.8
355.18704	0.7
371.18256	1.6
403.14584	0.4
412.04321	0.4
445.18323	1.6
460.20648	64.1
461.21280	4.3
533.23547	76.7
534.23901	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	533.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12683	0.4
53.03939	0.4
54.96967	0.4
55.01875	0.5
55.05500	0.7
57.07080	0.4
59.18143	0.4
63.02371	0.6
67.05502	1.6
69.03436	1.5
69.28529	0.8
69.28938	1.4
71.04991	1.2
73.02943	0.4
77.91435	0.3
79.05502	2.6
79.64306	0.4
81.03404	4.0
81.07063	0.7
85.02896	1.4
85.06528	1.1
89.03909	7.7
91.05466	4.4
93.07049	2.4
95.04969	1.5
95.08596	11.4
97.02892	0.8
97.06516	7.6
99.08054	0.6
103.05482	0.4
105.07024	7.8
107.04917	1.8
107.08593	1.5
109.02869	1.5
109.10140	1.3
115.05452	0.7
117.03371	8.8
117.06998	1.4
118.07761	0.5
119.04934	0.8
119.08588	2.1
121.06503	0.5
121.10102	2.0
123.08068	1.3
127.03947	0.9
129.06985	0.6
131.08563	4.9
133.10118	87.8
134.10452	1.6
135.04402	20.5
135.08020	0.9
143.08549	1.3
144.09329	0.4
145.02835	12.6
145.10117	2.3
147.04361	1.8
147.11665	0.8
149.09602	0.7
149.13220	0.7
158.10886	2.7
163.03886	100.0
163.14720	0.5
164.04263	1.8
173.13252	16.7
174.13579	0.5
175.03952	0.6
181.04971	2.7
191.14293	11.2
207.06529	1.2
304.25055	0.4
307.08081	4.1
325.09296	2.1
372.77112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01854	2.1
55.05502	2.0
57.03434	3.7
57.03664	0.6
61.02917	6.3
65.03931	0.8
67.05507	1.6
68.42056	0.7
69.03068	0.9
69.03425	17.8
69.07057	4.8
71.04975	1.9
71.40066	0.7
71.41037	0.7
73.02901	2.2
79.05486	3.3
80.51861	0.6
81.03403	7.4
81.07058	3.7
83.04970	1.4
85.02897	60.5
87.04458	2.1
89.03914	4.4
91.03931	2.8
91.05482	2.3
93.07037	3.2
95.04972	5.0
95.08599	2.7
97.02884	21.7
97.06496	2.3
99.04453	3.7
105.07008	4.0
107.04941	2.8
107.08575	7.6
109.02869	7.7
109.06499	3.1
109.10136	2.7
115.03920	1.1
115.05416	0.7
117.03358	5.9
117.06970	1.0
119.08566	2.4
119.87478	0.6
121.02854	2.2
121.06506	1.4
121.10132	3.1
122.07267	3.7
123.08062	9.2
127.03907	16.9
131.08554	1.4
133.10121	26.3
135.04399	11.7
135.08047	16.6
135.11671	2.8
137.09601	10.8
145.02876	9.5
145.04944	25.9
145.10207	0.9
145.93370	0.7
147.04422	2.6
147.11676	2.3
149.09660	1.3
149.13246	2.5
149.25755	0.7
163.03886	100.0
163.06050	4.2
163.14801	0.9
164.04247	1.3
165.12726	12.1
171.06557	1.7
173.13242	2.4
175.14804	2.1
176.11934	1.9
181.04929	4.0
189.07477	1.5
191.14290	58.5
192.14627	0.8
193.15858	9.7
195.77542	0.7
207.13759	2.0
209.15366	8.7
307.08160	3.5
325.09183	4.3
353.19519	1.8
369.38892	0.6
371.20541	5.5
436.83917	0.7
533.18933	1.1
533.25946	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	2.3
69.58813	9.0
69.68878	2.6
75.86430	2.1
81.07038	4.0
84.94237	2.3
90.70441	2.1
91.05457	4.4
93.07052	2.9
95.08573	4.3
98.23403	4.1
105.06988	3.3
107.08566	2.6
112.21053	2.2
112.97797	2.2
119.08562	4.3
122.72090	2.2
159.11646	13.7
273.12445	27.1
275.78690	2.8
299.08875	100.0
300.09229	3.0
334.52808	2.5
481.45999	2.4
533.25116	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02206	3.5
58.08010	3.7
58.77665	3.5
67.05499	9.8
69.33656	6.7
69.34044	12.6
73.83316	3.0
78.31168	4.3
79.05517	4.6
81.07014	7.7
88.52843	3.4
91.05469	4.3
92.19697	3.2
92.58598	3.3
93.07039	5.0
95.08630	3.3
107.08599	4.0
119.08669	3.9
132.25797	3.5
218.14401	3.5
232.08351	3.9
239.06860	5.7
241.10449	5.8
255.06229	18.1
304.29590	3.6
321.34515	4.1
333.14777	4.2
368.04858	5.2
378.00980	5.5
405.01941	3.4
530.90686	4.0
533.24677	100.0
534.24902	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	533.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01870	4.5
55.05506	2.4
57.03434	6.9
61.02924	10.6
67.05492	2.7
69.03424	30.6
69.07059	9.6
69.31014	1.5
69.31421	3.3
71.05006	4.3
72.69042	1.0
73.02911	4.1
79.05474	4.1
81.03417	15.1
81.07056	4.5
83.01300	0.8
83.04984	1.5
83.08595	1.5
85.02898	100.0
87.04456	4.3
89.03905	2.7
90.14484	0.8
91.03958	4.8
91.05460	3.2
93.07039	4.6
95.04967	8.0
95.08601	3.1
97.02890	32.8
97.06524	4.1
98.22691	1.8
99.04448	6.5
103.03917	1.5
105.07008	6.4
107.04938	2.4
107.08588	9.0
109.02868	10.0
109.06506	5.0
109.10117	2.5
113.05989	0.9
115.03920	1.0
117.03390	4.8
119.04946	1.1
119.08565	6.3
121.02867	2.6
121.06532	4.2
121.10103	5.5
122.07271	4.8
123.08062	20.4
125.05947	1.4
127.03903	28.2
131.08539	2.1
133.10117	17.9
135.04414	8.2
135.07033	1.8
135.08047	27.3
135.11671	4.5
137.06010	1.5
137.09581	10.0
145.02899	8.9
145.04944	43.2
145.10117	2.6
147.04407	2.5
147.11681	2.7
148.08784	1.0
149.09608	1.7
149.13272	2.2
156.97404	1.1
161.09579	2.2
163.03891	60.1
163.05922	6.9
163.14784	1.4
164.04179	1.7
165.12744	20.0
171.06551	2.0
173.13261	1.5
175.14813	5.1
176.11935	4.4
181.04948	3.0
189.07555	3.2
191.14294	88.1
192.14685	1.7
193.15855	12.2
201.16299	1.0
207.13817	3.7
209.15366	13.8
249.14828	1.1
307.08160	1.6
325.09195	2.0
353.19583	2.8
371.20633	8.0
533.17761	2.8
533.25885	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.9
68.89642	0.7
70.55606	1.6
79.05468	1.4
83.01091	1.5
85.06588	0.8
88.07629	1.5
91.05467	3.7
93.07034	1.6
95.04971	1.6
100.96755	0.8
105.07035	3.6
107.08543	0.9
112.07547	1.0
117.07011	2.8
119.40439	0.7
121.10122	0.8
128.06181	1.4
129.07016	1.3
130.07809	1.2
130.36200	0.7
131.08540	2.0
133.06491	0.9
133.10127	1.0
141.06960	0.8
143.08571	1.9
144.24426	0.9
145.10152	3.2
149.02292	1.1
173.09602	2.8
184.07376	1.7
193.05054	3.6
201.86787	0.9
224.96902	0.7
225.10959	24.7
239.36855	0.8
253.11987	1.3
256.26337	3.1
271.13010	13.4
331.15134	100.0
332.15375	2.4
451.09433	1.3
533.26947	7.6
533.35669	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	533.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36768	1.2
55.42470	1.0
67.05476	2.0
70.52326	2.9
79.05492	2.0
81.07048	1.8
91.05461	4.7
93.07018	4.0
94.32065	1.1
95.04955	11.7
97.06509	1.3
105.07029	7.2
107.08569	3.3
109.06515	6.1
112.77773	1.2
117.06956	1.7
118.33399	1.2
119.08579	2.3
121.10088	1.3
126.68166	1.2
131.08556	4.8
132.49677	1.1
133.06490	3.9
135.08035	1.8
136.46971	1.2
143.08504	1.5
145.10118	6.8
149.09599	3.6
153.80733	1.2
158.47804	1.5
165.31723	1.2
173.09578	4.0
191.10695	1.9
211.09326	1.2
223.09317	2.0
225.10948	90.0
241.10464	6.2
255.13475	1.6
271.13004	80.3
272.13303	2.2
312.15787	1.5
315.15463	2.4
331.15106	100.0
332.15335	3.9
333.15622	2.0
427.74582	1.3
533.25220	15.6
533.32233	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	533.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05505	39.7
56.05847	0.4
57.03423	0.8
57.07055	0.7
63.64788	0.3
65.03933	0.5
67.05502	4.4
69.07059	1.2
69.34013	1.3
69.91518	0.3
71.04991	1.3
77.03931	0.4
79.05476	4.6
81.07046	11.3
83.04971	100.0
84.05310	0.9
85.06529	4.1
89.39149	0.3
91.05463	11.1
91.80944	0.3
93.07034	8.9
95.04964	3.7
95.08593	7.9
97.06513	3.1
99.08066	0.3
101.05988	1.5
103.05470	0.8
105.04484	0.6
105.07015	19.4
107.04981	0.3
107.08582	6.3
109.06512	2.2
109.10139	0.5
111.08068	0.7
115.05434	2.9
116.06240	1.4
117.07007	11.4
119.04933	0.7
119.08567	12.0
121.06487	3.1
121.10121	1.3
123.08075	2.1
127.08437	0.3
128.06198	2.4
129.06987	13.5
130.07813	1.9
131.08549	22.5
132.09282	1.2
133.06506	0.9
133.10115	8.8
135.08012	1.7
135.11662	0.8
139.07582	0.5
141.06973	3.6
142.07764	14.0
143.08543	8.6
144.09291	1.2
145.06493	0.5
145.10107	24.0
147.08058	1.6
147.11671	6.1
149.09583	0.6
153.06949	1.2
154.07735	1.1
155.08539	15.3
156.09302	3.1
156.53471	0.3
157.10107	53.6
158.10878	3.5
159.08066	3.1
159.11673	25.3
160.12022	0.7
161.09616	1.0
161.13199	0.4
163.11130	0.8
167.08513	2.6
168.09364	1.5
169.07813	0.4
169.10106	9.6
171.11665	4.3
172.12410	0.7
173.09589	4.6
173.13240	3.4
175.11165	18.6
176.11635	0.3
177.12738	1.3
182.10884	5.3
183.10161	7.1
183.11682	0.6
185.13211	3.2
185.21904	0.4
186.14053	0.5
187.11200	1.3
187.14790	23.1
188.15065	0.8
191.14304	0.8
197.13232	21.5
198.13583	0.6
203.14331	0.8
205.15858	1.3
215.14284	74.4
216.14633	2.2
233.15318	14.7
280.80728	0.3
293.86984	0.3
315.19461	1.9
330.34933	0.3
333.20358	0.8
350.65677	0.3
463.20822	0.4
498.44241	0.4
533.31024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
54.81885	0.6
65.92882	0.6
67.05476	1.1
69.03429	3.1
69.27010	1.4
69.27409	2.5
73.02933	0.7
76.48764	0.6
79.05495	0.8
81.03397	2.2
81.07044	1.0
85.02897	7.6
87.00822	4.5
87.04572	0.6
91.05479	7.1
93.07053	0.9
93.59180	0.7
95.08588	1.0
97.02876	4.0
99.04438	0.7
103.03940	1.0
103.05457	1.5
105.01868	9.6
105.04504	0.7
105.07020	8.8
107.04954	0.7
107.08575	1.2
109.02863	2.8
109.10127	0.6
115.05450	1.5
117.07015	26.7
119.05026	0.6
119.08575	1.4
121.06499	2.6
121.57397	0.7
127.03914	6.4
128.06169	0.8
129.07014	2.1
130.07753	2.2
131.08583	1.9
133.06523	1.0
133.10120	1.8
141.71191	0.7
143.08559	2.1
145.04977	2.7
145.10115	100.0
146.10501	2.0
147.08025	8.5
147.11682	0.8
155.08539	1.2
157.10127	2.0
159.02933	0.7
159.11736	0.8
161.09595	7.0
163.11154	1.8
165.09155	1.8
169.10109	2.3
171.11623	0.8
183.11736	1.3
187.11194	5.2
189.03920	1.4
193.10117	1.1
207.11646	2.1
210.62582	0.6
211.11154	3.4
213.04015	1.3
225.12758	0.9
229.12206	1.0
231.04967	4.1
233.13208	1.2
235.11160	3.4
249.06056	6.1
253.12247	3.5
271.13251	1.7
357.13229	2.4
375.14310	3.9
395.13559	1.5
446.43686	0.7
522.84283	0.7
534.13733	1.6
534.20404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.1
55.01873	8.3
55.05502	9.0
59.04977	3.9
61.41377	3.9
67.05489	15.9
69.03430	62.3
75.76474	4.1
76.23587	3.7
79.05490	9.0
81.03422	12.7
81.07057	40.5
83.04986	20.3
85.02895	31.8
87.00826	14.2
87.04464	4.9
91.05476	16.4
93.07034	13.5
95.04942	6.7
95.08608	27.0
97.02898	19.5
97.06522	5.0
97.77433	4.1
100.11273	5.3
105.01822	5.6
105.07035	30.0
107.04955	5.5
107.08583	16.6
109.02870	12.5
109.10139	9.9
111.04453	10.8
115.03997	5.6
117.07015	14.5
119.04953	7.0
119.08572	28.7
121.06548	4.7
121.10171	7.4
123.10792	5.2
123.11694	100.0
127.03907	23.9
129.05469	76.5
131.08609	20.3
133.10133	15.2
135.04391	9.0
139.03925	9.4
141.12759	9.8
143.07034	15.7
143.08589	4.9
145.04973	7.9
145.10120	63.6
147.04431	8.9
147.08061	5.9
147.11678	63.7
149.13281	15.5
157.10098	6.9
159.08002	4.3
159.11697	15.0
161.13266	29.8
173.13231	50.6
183.11623	6.5
189.12781	9.7
191.14351	6.4
201.12747	21.9
219.13803	22.2
221.15373	15.0
233.15361	22.4
237.14781	29.1
239.16354	20.2
251.16437	29.4
269.17468	48.6
277.04932	4.6
287.05484	16.8
288.05905	13.2
309.07431	7.3
326.10077	7.8
337.06992	15.5
421.07327	4.6
506.14670	7.5
534.13843	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	534.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
54.81885	0.6
65.92882	0.6
67.05476	1.1
69.03429	3.1
69.27010	1.4
69.27409	2.5
73.02933	0.7
76.48764	0.6
79.05495	0.8
81.03397	2.2
81.07044	1.0
85.02897	7.6
87.00822	4.5
87.04572	0.6
91.05479	7.1
93.07053	0.9
93.59180	0.7
95.08588	1.0
97.02876	4.0
99.04438	0.7
103.03940	1.0
103.05457	1.5
105.01868	9.6
105.04504	0.7
105.07020	8.8
107.04954	0.7
107.08575	1.2
109.02863	2.8
109.10127	0.6
115.05450	1.5
117.07015	26.7
119.05026	0.6
119.08575	1.4
121.06499	2.6
121.57397	0.7
127.03914	6.4
128.06169	0.8
129.07014	2.1
130.07753	2.2
131.08583	1.9
133.06523	1.0
133.10120	1.8
141.71191	0.7
143.08559	2.1
145.04977	2.7
145.10115	100.0
146.10501	2.0
147.08025	8.5
147.11682	0.8
155.08539	1.2
157.10127	2.0
159.02933	0.7
159.11736	0.8
161.09595	7.0
163.11154	1.8
165.09155	1.8
169.10109	2.3
171.11623	0.8
183.11736	1.3
187.11194	5.2
189.03920	1.4
193.10117	1.1
207.11646	2.1
210.62582	0.6
211.11154	3.4
213.04015	1.3
225.12758	0.9
229.12206	1.0
231.04967	4.1
233.13208	1.2
235.11160	3.4
249.06056	6.1
253.12247	3.5
271.13251	1.7
357.13229	2.4
375.14310	3.9
395.13559	1.5
446.43686	0.7
522.84283	0.7
534.13733	1.6
534.20404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97380	5.4
53.98681	5.4
55.05503	19.3
57.07075	11.1
63.19391	5.4
67.05495	75.1
69.07061	31.3
69.18247	11.1
69.18660	22.7
71.08624	11.4
79.05485	26.5
81.07047	100.0
83.08625	16.0
85.06562	9.0
91.05478	17.6
93.07027	25.0
95.08586	72.7
97.06518	8.4
97.10149	13.1
98.22862	22.2
104.10712	9.0
107.08582	24.6
109.10129	47.8
111.11752	6.8
119.08561	14.0
121.10138	14.2
123.11695	22.3
128.24585	6.1
133.10101	17.2
135.11723	9.6
137.44106	5.7
147.11656	9.4
149.13239	15.9
151.14787	9.0
155.14262	6.9
161.13280	11.5
163.14847	14.3
165.16342	7.3
245.22603	69.5
263.23672	83.0
266.28018	6.0
337.27240	43.8
362.62384	6.2
436.10492	6.3
440.40213	5.8
449.52582	6.2
469.42108	5.9
478.99356	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	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	26.1
57.03443	5.2
57.07061	14.4
59.60927	4.3
59.98428	4.0
61.02916	7.8
67.05495	86.4
69.07064	29.0
69.17569	25.3
70.97002	4.9
71.08634	8.2
74.34599	4.0
79.05481	28.8
81.07050	100.0
83.08620	16.9
85.02897	4.7
86.09695	20.8
91.05450	21.7
93.07047	30.0
95.08598	75.8
95.86730	4.0
97.06519	7.5
97.10159	11.6
98.22654	6.4
99.08114	4.6
104.10090	7.8
104.10732	81.7
105.07021	15.6
107.08592	17.8
109.10155	44.3
111.11684	4.8
119.08564	17.0
121.10128	25.6
123.11696	24.6
124.99963	9.6
125.09598	5.0
133.10109	20.3
135.11678	12.9
137.13206	9.4
141.12738	4.5
147.11679	8.4
149.13234	11.6
151.14818	8.1
153.14938	4.8
161.13257	16.7
163.14789	11.2
165.16353	11.7
175.14806	11.3
179.17889	8.8
183.36382	4.3
184.07306	23.3
241.10463	12.1
242.10799	7.6
245.22623	59.9
253.03194	4.8
263.23697	69.3
264.24179	5.5
316.19708	6.8
337.27405	53.8
372.00952	4.7
443.54230	5.4
475.22141	10.6
534.30475	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	534.92
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36197	0.9
58.29056	0.9
69.15028	5.9
76.49480	0.8
77.63921	0.9
80.45716	0.8
86.51827	0.8
94.93025	1.1
106.75415	0.9
112.89622	2.7
114.89368	1.6
120.96629	2.2
133.77679	0.9
136.94017	100.0
151.00890	1.0
166.45538	0.9
176.07256	1.0
274.97461	1.0
278.95197	49.4
279.95398	1.3
294.92947	50.5
307.92722	1.0
344.44113	1.2
354.93985	3.2
372.94659	1.6
376.92963	1.4
392.90512	7.8
436.94186	14.7
444.89993	1.1
452.91861	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	535.1081
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03942	1.6
55.01866	1.9
57.03429	1.0
61.02626	0.1
61.02921	1.1
65.03940	0.1
67.01868	0.2
68.99783	1.5
69.03423	6.5
71.01349	0.2
71.04969	0.8
71.05285	0.1
73.02534	0.1
73.02912	1.4
79.05482	0.2
81.03410	8.5
82.03738	0.1
83.01334	0.3
85.02896	11.1
87.00821	5.7
87.01369	0.1
87.04485	0.1
88.01139	0.1
91.03945	0.4
91.56385	0.1
93.03412	0.1
95.04971	0.2
97.02882	4.0
99.04446	2.2
101.02366	0.1
103.05467	0.2
105.01855	2.5
105.03374	0.3
105.06999	0.1
107.04936	0.3
109.02868	6.5
111.00784	0.8
111.04445	0.1
115.03934	0.2
117.01842	1.1
119.04963	0.1
121.02851	2.6
121.03791	0.1
127.03902	8.4
128.04237	0.1
129.01820	0.9
129.06996	0.1
131.04930	0.1
133.02824	0.5
135.04459	0.1
137.02315	0.9
137.05951	0.2
138.80453	0.1
141.06851	0.1
145.04938	2.2
145.06470	0.2
147.02876	0.5
147.04382	0.6
151.03870	0.1
153.01807	4.2
157.06473	0.4
159.02876	4.2
161.05920	0.2
163.04001	0.1
165.01816	2.0
166.91148	0.1
167.07002	0.1
169.06470	0.1
171.02962	0.1
171.04430	0.2
175.03868	0.1
175.07524	0.2
177.03906	0.1
183.02879	0.8
184.05142	0.1
185.05904	0.4
186.43639	0.1
189.05458	0.1
197.05946	0.1
203.03328	0.1
203.07040	0.2
213.03792	0.2
213.05478	1.3
216.04161	0.1
217.04907	0.1
229.04990	0.2
231.04552	0.6
231.06973	0.5
241.04904	1.0
243.06462	0.1
258.05179	1.2
259.05994	0.5
263.05820	0.1
269.04401	0.2
271.07428	0.1
285.03842	0.1
286.04602	0.2
287.05457	100.0
288.05780	2.9
288.08969	0.2
299.05457	0.1
311.05698	0.1
329.06439	0.3
353.06693	0.1
395.07620	0.1
550.43408	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97578	0.5
55.72911	0.6
65.03934	13.6
66.75426	0.5
73.04746	0.6
79.05480	2.4
81.03402	0.9
89.03912	2.9
91.05437	7.3
93.03397	16.1
93.06987	0.7
95.04970	1.5
97.12637	0.6
103.05472	0.8
104.56371	0.5
107.04951	18.1
109.02872	0.8
111.04434	56.8
117.03390	1.6
119.04937	2.3
120.08083	0.7
123.04418	1.6
125.05962	1.0
127.03951	0.6
131.04927	0.9
135.04405	46.8
137.02312	1.6
137.05943	2.4
139.03889	80.8
140.04230	0.7
147.04471	0.8
151.03918	3.2
153.05453	4.7
153.06610	0.8
157.02901	0.9
163.03897	16.4
165.06981	7.2
167.05490	1.3
177.05515	1.1
177.06953	1.3
179.08539	0.7
181.04938	45.7
181.06114	1.8
182.07239	1.9
187.03951	2.2
189.07033	1.3
192.05777	1.4
193.06511	4.9
194.07173	0.7
195.08052	0.8
196.05203	1.3
201.05405	0.8
203.03339	5.3
203.05005	0.8
204.05643	0.6
205.06520	2.9
207.07990	0.7
209.06065	1.0
210.06720	10.3
211.07312	0.9
213.01866	1.8
217.04942	1.7
220.05176	4.1
221.05939	13.0
222.06720	2.3
223.07535	0.8
224.04652	1.2
225.09166	1.3
227.03369	2.2
231.02803	3.4
233.05922	1.7
234.06645	0.7
235.07491	4.5
237.05385	2.8
238.06224	11.0
239.06886	3.2
245.04312	0.9
247.07544	0.6
248.04585	3.5
249.05458	21.1
250.06172	7.5
251.03308	1.6
251.07042	1.0
252.04131	5.5
253.08542	3.8
254.05722	2.0
259.03842	1.6
260.04550	0.9
261.05411	0.8
262.06192	1.3
263.06973	7.0
264.07736	1.1
265.04926	3.1
265.08524	1.6
266.05734	18.0
267.06491	3.8
269.08008	3.8
276.04150	5.9
277.04947	32.3
278.05600	5.4
279.02853	0.8
279.06430	1.2
280.03647	3.6
280.06619	0.7
281.08130	9.6
282.08734	0.7
283.03030	0.7
283.06049	0.8
285.14728	1.1
286.15128	1.1
287.15527	1.2
289.05087	2.5
290.05313	0.6
291.06473	5.1
293.04419	2.0
293.08060	2.4
294.05197	43.5
295.05969	14.0
299.06189	2.4
304.03723	1.6
305.04352	3.7
306.05264	1.5
309.07541	59.5
310.07977	2.5
311.09076	2.5
316.33261	0.7
319.06006	5.1
322.04620	3.2
327.08606	3.5
337.07028	100.0
338.07260	3.3
355.08099	7.2
535.11292	3.2
535.18811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
60.86974	1.1
63.19693	1.0
69.83247	3.3
79.05486	6.4
83.40242	1.2
84.08129	1.4
85.23238	1.0
91.05444	2.6
95.04972	2.5
97.02867	1.2
103.80658	1.2
105.07014	4.1
107.04948	19.1
109.02911	1.2
111.04418	1.1
117.03388	1.5
123.04409	1.2
133.06493	3.5
135.04407	50.8
137.02327	4.1
137.05963	3.0
138.03134	8.2
139.03897	2.3
147.04425	1.2
151.03838	2.2
151.07553	2.6
153.05460	100.0
154.05733	1.2
161.05942	6.1
163.03886	22.6
165.06999	6.9
167.05550	1.7
167.07028	2.2
173.05992	1.2
175.04022	1.6
177.05426	1.9
179.06964	2.0
180.07854	2.0
181.04985	2.7
187.03973	1.5
193.06476	7.0
193.08597	3.7
195.06519	27.7
197.05989	1.8
203.03413	1.4
203.07091	1.4
205.06480	2.0
211.07605	2.1
221.05972	18.5
223.07628	1.7
223.57437	1.0
225.05499	6.3
239.07094	6.5
249.05461	26.7
250.06055	3.1
251.06978	1.5
253.04987	4.7
255.06561	3.1
266.05679	1.2
267.06522	10.1
269.11844	1.4
277.04950	19.1
278.05502	2.0
279.06454	3.8
281.04431	5.4
284.03052	1.1
287.12686	3.3
294.05099	2.4
295.06000	59.2
296.06335	1.6
297.07724	1.6
299.06210	6.1
305.04498	2.2
309.07452	2.4
323.05508	41.8
324.05780	2.3
337.07053	5.2
341.06598	3.6
415.04047	1.2
491.18878	2.1
535.18134	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	535.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10266	0.6
65.03937	12.4
69.17951	1.2
69.18352	2.3
79.05463	1.8
89.03908	2.0
91.05476	6.8
93.03395	16.9
95.04936	0.9
98.23569	1.0
107.04945	14.0
111.04435	43.5
117.03371	1.7
119.04932	2.4
125.05978	1.8
131.04926	0.7
135.04402	39.6
136.04790	1.0
137.05949	2.9
139.03889	66.7
147.04349	1.3
151.03912	2.6
151.19154	0.7
153.05424	5.4
159.04387	0.9
163.03893	13.2
164.06113	0.6
165.06963	8.5
177.05537	0.7
177.06987	1.8
178.06218	0.6
179.03404	1.0
181.04958	31.9
181.06386	2.0
182.05208	0.7
182.07253	1.8
187.03889	2.9
192.05702	1.5
193.06458	6.5
194.07092	1.8
196.05101	0.7
203.03401	7.5
205.06506	2.5
209.06033	1.0
210.06711	11.7
213.01707	3.3
220.05296	4.7
221.05965	14.0
222.06650	3.8
223.03963	1.1
223.07739	0.6
224.04671	1.0
225.09090	1.5
231.02750	3.7
233.05966	1.7
235.07491	2.2
237.05428	4.1
237.09053	1.5
238.06230	12.2
239.07030	1.7
248.04616	4.0
249.05429	20.8
250.06151	6.8
251.03389	1.0
251.07024	1.1
252.04092	5.7
253.08527	1.8
259.03934	1.4
260.04361	1.1
262.06213	1.1
263.07065	7.4
265.04785	3.4
265.08652	1.7
266.05731	20.4
267.06525	2.4
269.07965	2.1
276.04190	7.3
277.04950	36.1
278.05673	5.0
279.02902	1.3
279.06433	2.2
280.03561	2.4
280.07043	1.1
281.08102	10.9
282.08810	0.9
283.06055	0.8
285.07739	0.8
289.04855	1.1
291.06522	5.8
292.07166	1.0
293.04428	3.6
293.08060	2.9
294.05203	29.1
295.05975	14.2
304.03766	1.6
305.04437	4.7
306.05157	1.8
307.05222	0.7
309.07538	52.8
310.07886	2.4
311.05673	0.8
311.09122	2.4
319.05975	5.2
322.04773	2.5
327.08517	2.0
337.07025	100.0
338.07373	4.3
355.08112	4.6
535.11987	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	535.1422
Annotation	LLP3
Peak:m/z	Relative Intensity
54.10843	0.3
69.69659	0.8
69.70050	0.7
80.07137	0.5
86.09747	0.5
115.54495	0.4
121.98036	0.4
135.04420	0.4
163.03908	0.4
167.05524	0.5
176.04497	0.4
177.01553	2.9
181.04889	0.7
192.03911	15.8
193.04678	2.3
205.04698	5.7
220.03430	1.3
225.89293	0.4
295.06116	1.1
299.06207	1.1
300.56042	0.4
365.08356	3.5
402.69717	0.4
495.28925	0.5
503.11487	0.5
504.12427	1.8
505.13208	1.7
535.14172	100.0
536.14600	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	535.1789
Annotation	Fibraurinoside
Peak:m/z	Relative Intensity
63.58110	0.7
71.43608	1.2
73.04760	1.2
84.64961	0.9
91.05782	2.6
102.73962	0.8
114.89140	0.9
117.49741	0.7
163.03911	1.6
167.05551	2.7
177.05492	0.9
219.06291	16.5
287.05646	1.5
290.44098	1.0
299.06134	4.0
323.07800	0.8
344.97458	0.8
351.10431	0.9
373.12479	5.3
415.03891	1.0
535.17847	100.0
536.18512	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	535.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.9
69.03435	0.5
69.38880	2.0
72.73737	0.4
78.10520	0.4
80.24675	0.4
81.07061	0.8
85.02894	0.8
93.07016	0.8
95.04980	0.6
95.08591	0.9
96.41425	0.4
105.07011	0.6
107.08563	0.7
119.08551	0.9
127.03939	0.5
131.08601	0.5
135.92239	0.4
137.06013	0.5
139.96419	0.4
145.10133	0.5
159.11766	0.5
163.03870	0.8
192.14565	0.4
203.32596	0.4
227.05365	0.6
243.04686	0.8
245.06346	1.6
269.11594	1.1
287.12585	2.6
299.06223	0.6
315.11975	1.1
447.20078	0.7
449.17822	5.8
463.19611	2.3
473.17560	0.7
490.11990	0.5
491.18805	19.9
492.18887	0.6
535.17816	100.0
536.18054	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77547	3.4
70.67683	0.9
73.04755	1.5
75.04499	2.2
76.88763	0.8
81.03387	1.5
83.05010	1.1
85.02887	5.5
98.23406	1.2
98.27531	1.1
109.02936	1.1
111.04475	2.1
119.04954	2.6
121.06497	34.0
127.03930	1.5
131.04871	1.8
137.02345	3.1
145.68948	0.9
146.97557	0.9
147.04369	7.7
147.11572	1.0
148.03909	1.7
158.88795	1.0
163.03893	2.5
163.07472	1.4
165.06923	1.3
167.05524	2.2
167.06898	1.0
171.06523	3.9
189.07602	2.8
194.04521	1.1
205.04712	100.0
221.06023	2.0
239.07027	1.5
249.05510	1.7
253.04813	1.4
277.04813	1.3
279.08350	2.8
283.02954	1.1
295.05966	6.1
299.06165	3.0
312.06207	1.2
327.11798	1.3
394.35696	1.1
517.09320	3.3
535.14063	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	535.1812
Annotation	3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
Peak:m/z	Relative Intensity
50.44258	0.4
51.02368	0.5
51.85732	0.4
53.03925	0.6
55.01869	39.4
57.03411	1.7
61.02913	1.6
62.87695	0.4
65.03937	3.1
66.79671	0.4
67.05486	1.4
68.99783	0.4
69.03050	0.6
69.03421	6.4
69.54079	0.4
70.06553	0.5
71.05007	0.8
73.02921	0.9
73.04749	0.8
77.03922	0.6
79.05479	1.0
81.03424	2.0
81.07042	0.7
83.01390	0.5
85.02898	9.8
87.00775	0.5
87.04446	0.9
89.03908	1.2
91.05439	2.6
93.03370	1.5
94.04193	3.2
95.04959	2.3
97.02888	5.1
99.04449	0.8
100.11250	0.7
103.05455	11.9
105.03374	0.6
105.04506	0.5
105.07020	2.8
107.04940	1.1
107.08573	0.6
108.02070	1.9
109.02860	1.6
109.06498	0.9
110.03658	0.5
111.04443	3.4
115.05443	7.1
117.03366	2.4
117.06992	1.8
119.04918	2.3
121.06427	0.4
122.03629	6.9
122.28505	0.4
125.05985	3.4
127.03899	2.9
129.07005	0.5
131.04916	23.7
131.08620	0.4
133.02821	1.4
133.06485	5.7
135.04404	1.1
137.05966	100.0
138.06281	1.4
139.03857	0.6
141.05444	1.3
143.04912	9.8
144.05754	0.6
145.02843	5.8
145.04929	1.5
145.06465	0.5
145.10252	0.5
147.04388	4.4
147.08035	1.2
148.05167	0.9
149.05972	3.4
151.03899	84.5
151.04990	7.2
152.04243	1.1
153.05464	5.3
157.10143	0.4
159.04411	7.0
159.11676	0.6
160.05212	5.7
161.04828	0.4
161.05963	13.9
163.03925	3.6
163.07523	15.8
165.05458	0.6
165.09119	0.6
167.05498	0.5
171.04413	1.1
173.05864	0.6
175.07530	31.8
176.04671	1.8
177.05458	10.6
178.06052	0.9
179.07011	6.3
189.05426	2.9
191.07014	11.9
192.07657	0.9
193.04942	2.0
193.08598	8.8
194.07292	0.5
201.05383	0.7
203.06982	7.6
204.07416	0.5
205.06548	0.5
207.06496	0.6
207.12047	0.4
210.05380	0.4
211.06044	1.2
219.06496	5.1
221.08069	57.3
222.08487	1.0
229.04970	0.8
231.06633	0.7
259.09622	13.6
265.08627	2.5
271.09631	0.7
287.05521	0.7
293.04868	0.6
293.07913	2.3
294.08188	0.5
297.11234	1.8
299.06158	1.8
299.09183	0.6
305.07928	0.5
325.10678	1.3
327.12439	1.1
337.10715	1.0
343.11771	8.8
355.11667	3.9
373.12781	39.2
374.13138	1.2
419.15118	0.8
535.18243	35.0
536.18286	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	535.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75942	0.9
53.03938	1.4
55.01870	1.8
62.10209	0.9
65.03947	1.1
69.03420	3.6
74.58305	0.9
78.04708	2.5
79.05463	1.1
81.03412	5.1
81.07009	1.1
85.02905	2.8
89.03912	9.7
91.05443	2.3
93.07034	1.2
94.04173	1.0
95.04982	1.4
97.02898	1.8
99.04487	1.3
103.05483	4.6
105.07006	2.7
106.04173	2.0
107.04946	1.2
109.02895	2.2
109.06501	1.4
115.05412	5.9
117.03372	21.8
117.07027	2.6
122.03686	1.5
123.04433	1.9
127.03902	1.7
131.04935	10.0
133.06482	1.5
134.03604	2.9
135.04417	2.3
137.05972	14.0
143.04942	4.5
145.02843	50.7
145.06506	2.2
145.10112	1.6
146.03307	1.1
147.04410	1.6
147.11674	1.2
149.05939	7.6
151.03885	7.5
159.11617	1.2
160.05180	4.3
161.05966	3.3
163.03885	3.9
163.07549	6.2
167.07022	50.1
168.07304	1.9
173.05971	0.9
173.51630	0.9
175.07516	12.2
177.05460	100.0
178.05711	1.6
179.06934	1.5
187.07509	2.4
189.05446	2.3
191.06982	2.2
193.08606	1.5
203.07088	2.1
211.09615	1.7
217.15880	1.3
221.08012	1.6
231.06522	3.3
231.13100	0.9
233.15266	1.2
234.15775	1.3
249.07533	21.7
287.05432	1.3
299.05997	2.3
311.09149	1.0
321.09528	4.7
332.07080	1.1
339.10788	5.0
355.11670	1.5
535.17645	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	535.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
59.66305	0.2
65.03942	1.4
67.05489	0.3
69.03426	1.2
69.56561	0.9
71.04992	0.3
73.28598	0.2
79.05486	0.4
81.03407	2.4
81.07050	0.3
85.02905	2.1
85.06533	0.9
91.05461	9.0
93.03397	0.6
93.07005	0.3
95.04953	0.3
97.02876	0.9
98.23461	0.3
99.04418	0.4
102.53349	0.3
105.07021	0.6
106.75846	0.2
107.04942	0.9
107.08578	0.3
109.02894	0.8
111.04451	2.1
119.04935	19.5
122.03640	0.3
127.03917	0.6
131.08569	0.5
133.10095	0.3
135.04402	2.1
137.05980	0.4
138.03137	0.2
139.03894	2.3
145.02837	0.7
147.04395	100.0
148.04755	1.2
149.06006	0.2
149.09589	0.4
153.05423	1.6
163.03917	1.3
165.05478	4.2
165.06818	0.5
167.05536	0.4
177.05492	1.0
179.03450	0.3
181.04919	1.2
191.10699	0.3
193.06458	0.3
195.06537	0.5
203.03384	0.3
209.11716	0.4
210.06734	0.3
211.62619	0.2
214.99409	0.2
215.20465	0.3
221.05934	0.6
227.12781	0.4
233.08081	0.3
238.06206	0.5
249.05476	1.4
251.20241	0.3
252.04268	0.3
263.06784	0.3
266.05487	0.3
267.06424	0.4
269.12802	0.6
277.05023	1.7
278.05429	0.4
281.08176	0.3
287.05524	1.1
291.08643	2.6
294.05237	1.2
295.05920	1.7
299.06287	0.9
305.04446	0.3
309.06784	0.6
309.10129	4.1
312.24686	0.3
319.06165	0.3
323.05389	0.7
337.07095	3.5
535.20081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
65.03938	1.6
69.03413	1.4
69.47650	0.9
71.83543	0.3
79.05470	0.3
81.03410	2.7
85.02896	1.5
85.06540	0.8
91.05466	9.7
92.05714	0.3
93.03401	0.7
93.07050	0.3
95.04945	0.6
97.02863	0.5
98.22713	0.5
99.04459	0.3
105.07054	0.4
107.04950	1.1
109.02836	1.0
111.04427	2.9
117.03367	0.4
119.04931	23.6
127.03883	0.5
131.08568	0.7
133.10109	0.5
135.04393	3.5
137.05951	0.4
139.03883	3.8
145.02730	0.4
147.04390	100.0
148.04788	1.8
149.06042	0.3
149.09570	0.4
153.05464	2.9
162.90691	0.3
163.03868	2.1
165.05495	3.7
165.06830	0.6
167.05574	0.6
177.05443	0.5
181.04895	2.0
191.10609	0.8
193.06467	0.8
195.06514	0.6
205.06561	0.3
207.57578	0.3
209.11638	0.5
210.06717	0.8
221.06000	1.5
227.12682	0.5
238.06293	0.5
249.05434	2.5
252.04189	0.5
263.06952	0.7
266.05728	1.1
267.06531	0.4
277.04898	2.5
278.05630	0.4
281.08194	0.6
287.05511	1.5
291.08759	2.5
294.05194	1.3
295.05957	1.9
299.06100	0.7
305.04401	0.5
309.07004	1.1
309.10211	4.0
319.06036	0.4
323.05548	0.7
335.32526	0.3
337.07004	6.1
337.10776	0.5
515.75012	0.4
535.11255	0.3
535.18787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
55.42512	0.4
67.05529	0.4
69.07075	0.9
71.63885	0.3
73.04753	0.9
81.07045	1.6
82.58933	0.3
91.05788	1.2
93.07079	0.4
95.08576	1.7
95.76575	0.3
95.86386	0.3
105.07005	0.7
107.08604	0.5
109.10094	0.5
122.51484	0.3
123.11708	0.4
131.06631	0.3
135.08095	0.4
136.08824	0.7
137.05981	3.6
137.19240	0.3
149.02341	0.5
149.04510	0.5
151.07570	1.7
163.07526	1.0
164.08305	1.5
165.09192	0.6
167.05544	1.2
175.07491	0.6
177.09172	1.9
187.07523	1.0
189.09131	0.5
203.10646	2.3
215.10646	0.5
217.12251	0.7
222.22095	0.3
229.67062	0.5
272.17795	1.5
283.03058	0.6
287.20035	100.0
288.20380	3.1
299.06155	2.6
344.97446	0.6
368.56094	0.4
464.50632	0.4
535.24860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
59.47879	0.2
67.02181	0.1
67.05507	0.6
69.03426	0.1
69.07056	0.7
69.94044	0.3
69.94415	0.3
73.04731	0.1
79.05470	0.2
81.03381	0.3
81.07053	1.3
83.08590	0.2
85.02917	0.3
87.00854	0.2
91.05817	0.2
93.07041	0.5
95.08603	0.9
97.02882	0.2
97.10142	0.2
104.83769	0.1
105.07029	0.1
107.08562	0.5
109.10145	0.3
119.08572	0.3
121.06505	0.3
121.10110	0.2
123.11686	0.4
127.03878	0.2
129.06932	0.2
131.08595	0.2
135.08040	0.4
135.11681	0.2
135.95134	0.1
136.08829	0.7
137.05959	3.4
137.13277	0.2
143.08546	0.2
145.06436	0.3
145.10106	0.2
147.08080	0.2
149.13239	0.2
151.07503	0.9
157.10089	0.3
159.02948	0.1
159.08058	0.4
161.09612	0.3
163.07539	0.6
164.08324	3.7
165.09042	0.7
166.63745	0.1
167.05475	0.1
171.08014	0.3
171.11615	0.2
173.09589	0.5
175.07568	0.1
177.09058	1.1
179.44859	0.1
184.07321	0.3
185.09563	0.3
187.07558	0.8
187.11113	0.1
189.09061	0.3
191.10571	0.3
198.10303	0.2
199.11174	0.5
203.10643	2.3
215.10640	0.7
216.11299	0.2
227.14714	0.1
229.12209	0.2
257.15421	0.2
272.17712	1.1
287.20013	100.0
288.20370	4.1
299.06091	0.4
339.36218	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.1
55.05506	0.3
57.07066	0.2
67.05481	0.4
69.03408	0.2
69.07059	0.7
69.80714	0.2
73.04744	0.2
77.41421	0.1
79.05492	0.4
81.07043	1.6
83.01334	0.2
83.08633	0.3
91.05379	0.2
91.05836	0.3
93.07034	0.5
95.08609	1.0
105.06996	0.2
107.08578	0.6
109.10162	0.3
119.08549	0.2
121.06496	0.5
121.10101	0.3
123.08070	0.2
123.11684	0.5
135.08061	0.4
136.08827	0.6
137.05960	3.5
137.13260	0.2
138.06311	0.1
145.10057	0.2
147.08084	0.2
147.11613	0.2
149.09622	0.2
149.13266	0.3
151.07518	1.4
155.08578	0.1
161.09555	0.2
163.07512	0.9
164.08308	1.1
164.19702	0.1
165.09102	0.9
167.05536	0.4
172.09183	0.1
174.10507	0.1
175.07532	0.4
176.08263	0.2
177.09111	2.3
185.09541	0.1
187.07541	0.8
189.09099	0.5
191.10625	0.6
203.10645	2.6
204.11478	0.1
205.12276	0.1
215.10715	0.7
216.11349	0.1
217.12212	0.3
229.12064	0.2
239.09744	0.1
257.15393	0.2
269.19095	0.1
272.17676	1.4
287.20013	100.0
288.20374	3.4
299.06097	1.0
344.97537	0.2
401.43951	0.1
415.03635	0.2
504.62622	0.1
508.33008	0.1
535.25098	0.1
563.11768	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56897	1.3
53.70247	1.5
73.04767	1.8
83.53042	1.4
91.05791	4.4
115.65561	1.2
159.11688	1.4
167.05548	3.6
257.07849	14.2
267.00018	1.6
274.76251	1.2
283.03012	2.5
299.06104	7.0
317.15070	5.9
325.39294	1.4
344.97577	1.4
415.03259	1.5
535.26648	100.0
536.26770	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	535.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04741	0.7
91.05853	1.1
102.39368	0.7
115.44599	0.6
120.90733	0.7
151.61713	0.7
157.00830	0.7
165.68062	0.7
167.05583	1.7
204.49570	0.7
275.13989	1.2
299.06100	2.4
299.08923	27.4
300.09299	1.0
375.19504	1.7
535.26660	100.0
536.27002	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	535.2879
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
57.03413	0.7
67.05502	1.0
68.53272	0.7
69.35685	0.6
69.82962	0.7
71.43176	0.7
71.60436	0.6
73.04744	1.0
79.05492	1.6
81.03405	2.0
81.07061	1.2
85.02898	2.7
86.09689	0.9
91.05407	1.0
91.05838	2.1
93.07056	1.2
95.04961	1.2
105.07041	1.5
107.08595	0.8
119.08588	1.1
167.05548	2.0
180.38181	0.8
184.07373	1.8
251.12523	8.7
260.87512	0.7
279.00067	0.9
283.03070	1.3
299.06119	3.4
307.15198	8.6
344.97812	0.9
415.03818	1.7
535.28729	100.0
536.28625	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	536.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39523	1.1
55.92029	1.0
59.42161	1.1
63.73376	1.1
69.03427	2.0
69.15788	6.8
73.04756	2.6
74.15607	1.3
81.03406	2.7
85.02887	2.5
86.09692	1.2
89.03931	3.8
91.05817	2.4
97.02874	1.5
99.04414	1.4
99.17921	1.2
105.07053	1.9
109.02910	2.8
112.37771	1.0
114.15833	1.2
117.03382	12.0
119.08611	1.2
127.03938	2.1
129.10287	1.5
133.09888	1.1
135.04373	1.6
137.06020	1.7
145.02843	43.1
146.03203	1.3
149.04587	1.7
149.05980	5.2
159.11742	2.4
161.13278	1.4
163.03937	3.0
167.05533	5.7
177.05458	100.0
178.05850	1.7
195.06541	2.1
208.88539	1.3
212.39368	1.1
217.15950	1.5
218.89148	1.5
239.09763	1.2
288.05875	1.5
299.06140	9.1
321.09692	2.9
339.10773	10.0
424.70062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73273	1.0
53.03954	1.4
55.01855	1.7
59.77907	1.1
69.03429	2.9
69.07093	1.2
71.41614	1.1
71.60314	1.3
73.04749	5.1
81.03427	2.3
81.07050	2.5
84.04501	3.4
85.02885	5.6
87.00806	1.2
89.03902	6.3
91.05852	6.4
93.07030	2.3
95.08604	1.7
97.02905	2.9
97.06492	1.4
99.04443	2.5
105.01884	1.7
105.07018	2.5
107.08624	2.3
109.02860	2.9
109.10139	1.2
117.03367	17.8
119.08583	2.6
127.03926	3.8
131.08548	2.4
133.10121	1.4
134.03621	1.4
135.11681	3.4
137.05974	2.1
145.02832	47.7
145.04756	1.9
145.10110	1.7
148.06119	1.2
149.04471	1.6
149.05969	5.3
151.03912	1.6
157.10092	1.6
159.11664	3.8
161.13275	1.5
163.03891	3.6
167.05542	7.6
171.11755	1.2
177.05461	100.0
178.05840	2.5
181.05016	1.3
195.06569	4.9
199.05856	1.3
199.14728	2.9
217.15823	7.1
235.16988	6.4
266.99750	2.5
283.03159	3.2
289.98291	1.2
298.97638	1.0
299.06189	17.6
321.09592	1.5
339.10788	20.3
344.97623	4.1
359.02823	1.6
415.03845	1.7
536.17834	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67171	1.0
55.05497	3.9
56.61462	1.2
57.29596	1.2
59.64771	1.1
69.03402	2.4
69.14266	6.8
83.04981	32.4
85.02899	100.0
87.04471	1.6
91.05837	1.5
97.02898	1.6
98.22716	3.3
98.60382	1.1
101.06061	1.3
111.04430	22.6
121.06492	20.5
127.03880	7.8
129.05434	9.1
151.07503	3.4
167.05513	2.8
170.41026	1.3
171.06512	96.2
172.06882	2.7
189.07573	58.9
205.04707	28.6
206.05017	4.2
281.09982	10.4
299.06107	4.1
333.11700	12.5
351.82498	1.4
465.74936	1.3
536.14362	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90922	1.6
55.05489	4.1
56.73996	1.6
61.02892	1.8
63.92572	1.8
70.00403	1.8
71.04983	37.7
71.21065	2.8
83.04971	27.9
85.02897	12.9
87.04443	4.4
91.05457	3.9
97.02901	2.5
111.04440	36.6
112.79679	1.6
113.05991	15.9
115.03936	2.4
117.05464	11.6
119.04906	1.8
129.05466	58.7
137.55704	1.8
151.07503	15.4
171.06520	24.5
189.07562	100.0
190.07925	2.2
261.11166	2.6
314.18073	2.1
324.98923	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01870	2.4
55.05503	3.8
57.03431	11.4
61.02924	3.0
69.03418	12.9
69.08942	7.6
69.09351	3.0
71.01328	2.1
71.04986	63.5
73.02939	3.3
73.04762	7.1
75.04474	4.1
79.05475	2.0
81.03411	18.1
83.04969	16.8
83.58766	1.5
85.02898	100.0
87.04449	1.8
91.05856	9.2
93.07075	1.8
93.39794	1.2
95.04978	2.8
97.02895	8.8
99.04465	5.0
103.03909	10.4
105.07033	5.6
107.04943	2.0
107.08548	1.5
109.02854	23.6
111.04440	15.4
116.65767	1.2
119.04943	3.4
121.06506	2.1
123.07983	1.4
127.03912	21.6
128.06223	1.7
129.05472	21.7
129.07005	3.5
131.04913	2.8
133.06506	2.5
135.04469	3.2
136.05217	2.1
136.06181	2.9
137.05984	5.1
139.03938	1.4
143.08589	2.2
145.04916	7.0
145.06546	1.9
147.04385	2.0
147.06499	7.1
147.07829	1.3
149.04506	2.7
150.06744	2.0
151.07538	14.5
157.06461	5.3
159.74425	1.3
161.05995	5.1
163.03932	4.8
163.07599	1.8
164.09203	2.9
165.09094	15.4
166.08591	2.5
167.05544	10.4
169.04968	7.9
171.06529	2.2
171.08090	2.0
173.04474	1.5
173.05930	1.8
174.82027	1.4
175.07579	4.9
176.53487	1.3
177.05486	2.9
177.09102	2.3
179.07025	5.6
181.06517	2.6
185.05904	1.6
187.05988	8.7
189.07597	2.3
189.09088	9.2
191.07018	3.3
193.08588	20.4
199.07585	3.6
205.07048	11.3
205.08630	1.8
213.09148	3.1
217.08632	4.0
219.06442	2.1
221.11000	1.3
225.04327	3.5
227.07025	3.9
231.10179	5.5
233.08136	2.3
235.09642	8.0
237.07588	6.9
239.09419	2.2
241.08614	1.7
255.08426	3.0
259.09653	37.7
260.10220	1.7
261.11261	2.5
266.99933	3.3
277.10687	45.0
279.12210	2.1
283.03009	4.0
297.09744	2.3
299.06143	24.0
315.10788	6.9
319.11688	8.0
337.12842	11.0
344.97635	5.3
351.09558	2.7
383.12546	2.1
415.03534	3.4
449.83469	1.7
555.28162	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50230	1.3
53.03938	4.7
55.01865	2.6
55.05502	7.2
57.02828	1.6
57.03434	5.7
57.63968	1.5
61.02909	3.6
65.03930	1.3
67.05499	4.2
69.03429	9.5
69.07063	3.8
70.06585	3.7
70.32748	1.9
71.04985	44.5
73.02920	3.0
73.04750	9.3
74.57098	1.3
75.04472	3.3
76.65531	1.4
79.05476	3.6
80.74712	1.4
81.03400	8.3
81.07055	5.7
83.04975	24.7
84.08132	2.3
84.25527	1.3
85.02402	2.5
85.02897	36.0
86.09692	1.7
87.00824	8.7
87.01251	1.6
87.04453	5.0
91.05427	7.0
91.05811	9.3
93.07032	6.7
95.04973	2.7
95.08598	8.4
97.02894	10.4
99.04456	3.4
101.05975	1.9
105.01861	10.2
105.07023	15.6
107.08583	11.3
109.02855	8.8
109.06520	9.7
109.10164	2.1
111.04438	48.0
111.08038	3.3
113.06003	19.0
115.03899	4.3
117.05453	10.1
117.07034	1.9
117.71887	1.4
119.04923	5.3
119.08569	16.5
121.10133	5.1
123.08044	2.7
126.01035	9.1
126.05424	1.4
127.03909	16.6
128.06201	3.0
129.05467	65.2
129.07007	4.1
131.08582	9.8
133.10129	10.6
135.04440	1.9
135.07947	1.9
135.11769	1.6
137.05937	4.5
142.07751	4.2
143.08540	11.9
144.02089	10.6
144.09422	2.2
145.02863	2.8
145.04955	5.5
145.10085	10.1
147.07996	2.6
147.11699	9.0
149.04518	2.2
151.03960	4.0
151.07503	14.2
157.10101	12.5
159.11684	12.0
161.09590	18.4
161.13232	5.6
163.03809	2.7
167.05554	14.4
171.06499	22.6
171.11652	4.4
173.13281	9.9
175.11183	5.2
175.14827	2.9
177.05486	6.2
178.05962	2.1
187.14716	2.0
189.07556	100.0
189.16405	10.2
190.07977	2.3
199.14793	17.7
201.16364	2.5
207.06499	4.0
215.14455	1.5
217.15866	55.2
218.16151	2.0
225.04390	2.6
231.04965	5.4
235.16931	15.9
239.09560	3.3
266.99796	4.3
274.93481	1.5
283.02954	5.9
297.39871	1.5
298.03195	1.9
298.06763	1.6
299.06107	29.7
300.06110	1.5
344.97452	5.8
357.05908	2.1
359.02780	1.7
415.03629	3.4
416.03513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	28.1
67.06139	4.7
69.03430	29.4
70.06587	8.7
71.41953	8.4
72.06719	5.8
73.04761	26.0
79.05484	6.6
81.03403	18.2
81.07043	11.7
85.02917	43.2
85.21878	4.7
87.00832	19.9
91.05856	31.9
93.07021	5.4
95.04942	5.0
95.08602	10.8
97.02888	21.0
99.04443	9.6
101.99976	5.1
105.01852	25.0
105.07037	21.4
106.59011	4.5
107.08585	10.8
109.02857	14.2
117.03369	8.2
119.04915	6.7
119.08566	6.9
121.06499	11.6
123.08096	8.0
126.01076	11.5
127.03912	40.9
131.08548	15.2
133.10139	9.3
137.05986	37.3
137.06952	7.5
138.06302	16.3
143.08545	12.1
145.02823	26.9
145.04993	10.7
145.10066	13.4
147.04395	9.5
147.11697	6.1
149.04509	10.2
149.13310	5.4
151.03899	35.0
152.04245	18.4
157.10135	14.5
159.11676	28.5
163.03886	16.0
164.07971	5.3
167.05524	35.3
175.07570	8.2
175.14857	6.5
176.07837	7.8
177.05440	64.2
177.12708	10.0
189.16367	10.3
199.14806	17.9
204.07190	5.2
207.06476	12.9
217.15858	33.7
221.08099	18.1
222.08321	14.5
225.04333	9.8
231.05023	6.8
235.16809	26.1
239.09488	11.1
243.78058	5.4
251.46797	4.9
259.09296	6.4
260.09985	7.0
266.99945	10.1
283.02994	17.1
299.06168	100.0
299.09134	3.7
339.10669	7.2
344.97662	20.2
359.03033	6.0
373.13049	6.7
374.13199	22.8
415.03613	12.9
493.20215	5.4
503.10602	9.8
536.18085	23.3
537.19562	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	28.1
67.06139	4.7
69.03430	29.4
70.06587	8.7
71.41953	8.4
72.06719	5.8
73.04761	26.0
79.05484	6.6
81.03403	18.2
81.07043	11.7
85.02917	43.2
85.21878	4.7
87.00832	19.9
91.05856	31.9
93.07021	5.4
95.04942	5.0
95.08602	10.8
97.02888	21.0
99.04443	9.6
101.99976	5.1
105.01852	25.0
105.07037	21.4
106.59011	4.5
107.08585	10.8
109.02857	14.2
117.03369	8.2
119.04915	6.7
119.08566	6.9
121.06499	11.6
123.08096	8.0
126.01076	11.5
127.03912	40.9
131.08548	15.2
133.10139	9.3
137.05986	37.3
137.06952	7.5
138.06302	16.3
143.08545	12.1
145.02823	26.9
145.04993	10.7
145.10066	13.4
147.04395	9.5
147.11697	6.1
149.04509	10.2
149.13310	5.4
151.03899	35.0
152.04245	18.4
157.10135	14.5
159.11676	28.5
163.03886	16.0
164.07971	5.3
167.05524	35.3
175.07570	8.2
175.14857	6.5
176.07837	7.8
177.05440	64.2
177.12708	10.0
189.16367	10.3
199.14806	17.9
204.07190	5.2
207.06476	12.9
217.15858	33.7
221.08099	18.1
222.08321	14.5
225.04333	9.8
231.05023	6.8
235.16809	26.1
239.09488	11.1
243.78058	5.4
251.46797	4.9
259.09296	6.4
260.09985	7.0
266.99945	10.1
283.02994	17.1
299.06168	100.0
299.09134	3.7
339.10669	7.2
344.97662	20.2
359.03033	6.0
373.13049	6.7
374.13199	22.8
415.03613	12.9
493.20215	5.4
503.10602	9.8
536.18085	23.3
537.19562	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.285
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06078	3.9
66.33266	1.6
69.25682	6.3
72.83226	1.6
73.04744	3.7
73.20063	1.7
85.68341	1.5
91.05359	2.2
91.05796	5.5
106.11568	1.7
107.04941	5.5
108.05705	2.8
116.30698	1.7
133.06564	1.9
136.05161	7.6
137.05952	2.7
138.06761	2.1
145.06462	2.1
147.08015	2.6
148.05208	6.8
149.04468	2.6
149.06038	1.6
151.07526	100.0
161.05965	1.9
163.07561	4.1
165.09097	10.0
166.06230	15.6
167.05531	11.3
167.07054	4.4
173.05991	4.0
175.07515	2.3
176.08316	2.0
177.09082	9.1
179.10666	2.2
180.07791	1.8
181.08575	85.4
182.09021	1.7
184.07257	3.0
184.79504	1.6
187.07516	2.5
188.08322	4.7
189.09093	6.4
191.10573	3.1
193.08604	3.0
195.10146	5.9
201.09097	5.8
202.09856	5.8
203.10591	10.4
207.10081	2.0
213.96773	1.8
216.11414	5.6
217.12212	13.2
218.98309	1.7
225.04428	2.8
233.11722	7.9
247.13248	13.0
266.99991	2.6
299.03015	2.7
299.06168	28.1
339.15717	2.6
344.97891	4.0
353.17319	5.4
354.18146	4.8
370.17676	26.9
385.20056	89.1
386.20309	4.1
403.21225	3.9
415.03476	4.9
445.21982	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.9
69.86292	1.0
69.86650	2.9
71.52849	0.8
72.10976	0.8
73.04753	3.9
77.78854	0.8
81.27275	0.8
91.05841	5.6
93.03396	3.1
95.05005	0.8
96.04482	15.6
98.23386	1.7
107.04967	4.2
108.04537	1.0
111.04436	12.0
130.06517	15.4
133.49876	0.9
134.06021	2.1
135.04410	11.3
137.06042	1.5
139.03893	14.6
142.88770	0.8
144.08083	2.5
145.08936	1.0
146.05997	1.8
158.04723	1.4
158.06001	22.8
163.03899	3.1
167.05583	4.8
167.07173	1.5
168.05522	1.9
168.08057	1.3
172.07620	2.3
180.08052	1.9
181.04900	3.3
182.09702	2.1
184.07555	3.9
187.07529	1.4
188.35580	0.9
191.07248	2.8
193.08853	1.9
194.09750	1.2
196.07564	3.4
206.09656	6.5
208.07549	3.1
208.11508	4.1
209.10677	2.3
210.09258	1.8
220.07504	0.9
221.07005	1.5
221.10770	2.0
222.09265	1.1
223.08737	1.8
223.12320	7.1
224.10811	1.2
224.12837	1.4
233.08397	1.1
233.10660	1.9
234.09114	12.4
235.08527	6.3
236.09268	12.2
237.10170	7.5
247.12422	1.3
249.06593	1.8
249.10263	6.9
250.11018	3.9
251.08205	2.3
251.11778	44.7
252.12433	3.1
253.13399	4.5
256.14597	4.6
261.10245	5.8
262.08633	2.5
263.08160	2.4
264.08926	7.8
265.13306	3.2
267.99854	1.0
269.12805	1.6
271.16916	14.8
275.11749	2.1
279.11270	72.0
280.11752	1.4
281.05289	1.1
284.02890	1.4
289.17953	50.7
290.18195	2.4
293.12888	6.8
295.14499	1.0
297.12308	40.8
298.12390	1.2
299.06165	6.6
300.06131	6.9
311.13943	1.8
321.12311	100.0
322.12509	2.6
339.13376	67.0
340.13693	1.8
345.97485	1.8
357.14456	10.2
360.03110	1.2
416.03781	1.6
431.11548	1.1
449.12802	2.7
477.16849	4.9
493.11313	1.3
501.16269	1.6
503.42273	0.9
519.17590	35.1
537.10510	3.6
537.18463	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	537.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17198	1.8
58.73999	2.2
65.03932	2.9
73.04751	7.7
78.16786	2.1
86.09731	3.5
91.05834	14.9
93.03387	2.8
96.04488	12.5
103.05451	3.0
107.04950	5.1
111.04424	14.2
120.04416	2.6
130.06500	19.8
135.04413	13.3
137.05948	3.3
137.84616	2.4
139.03888	19.0
144.08121	2.9
153.05394	2.7
158.06003	25.0
163.03909	8.5
167.05537	15.6
167.07191	1.9
172.07573	3.4
179.03397	2.7
180.08022	2.3
181.04950	4.0
191.03331	8.0
191.07321	2.7
196.07596	4.5
206.09644	6.1
208.11292	3.8
223.12289	6.6
234.09091	11.5
235.08687	3.7
236.09215	12.9
237.10242	5.4
249.10260	5.8
250.10999	6.0
251.08055	3.6
251.08847	3.1
251.11777	44.0
252.12366	4.1
253.13361	6.7
261.10226	7.3
263.08200	2.8
264.08850	11.0
265.13406	3.0
266.99936	2.6
277.09760	2.4
279.11273	67.2
283.02963	2.7
284.03064	3.2
293.12796	6.9
297.12332	49.4
299.06125	15.9
300.06177	19.6
311.05157	2.8
321.12305	100.0
322.12485	2.9
338.07773	2.7
339.13358	75.3
343.07864	2.2
344.97681	3.7
345.97479	6.7
357.14334	16.8
363.16330	2.6
416.03741	7.6
477.16254	4.5
519.17542	42.5
537.18213	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09748	0.3
51.67550	0.4
66.80066	0.4
70.06586	0.7
84.54964	0.4
98.22613	0.8
108.71563	0.4
111.67096	0.4
117.03366	0.5
123.04430	0.4
137.05995	2.1
145.02811	0.7
163.03928	1.5
166.18010	0.4
167.05621	0.6
177.05490	1.3
243.04778	1.0
245.06203	0.4
252.58627	0.4
260.43646	0.4
272.75226	0.4
273.14700	0.6
287.03778	0.5
289.14087	3.5
299.06305	0.8
300.06238	0.6
313.10175	0.4
317.13522	0.8
416.03757	0.4
433.18350	0.9
451.19315	8.0
475.19629	0.7
493.20395	22.5
494.20499	1.0
537.19373	100.0
538.19708	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	537.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14569	0.6
53.47397	0.4
57.02311	0.4
69.41330	1.6
69.54642	0.4
91.05783	0.8
96.08123	0.6
98.23365	1.0
110.09680	0.7
111.04442	0.4
120.08108	0.7
135.04399	0.6
138.09142	1.3
139.03911	0.7
163.03941	1.5
166.08641	3.3
172.03975	1.8
175.22397	0.4
203.10382	0.5
215.18245	0.4
227.05214	0.8
243.13565	0.5
245.06372	2.2
251.11865	0.5
262.98868	0.4
267.99683	0.5
271.13074	3.4
278.64700	0.5
279.11179	0.6
284.85403	0.6
289.05286	6.3
289.14035	2.7
293.09149	1.0
299.06250	0.7
300.06265	0.9
325.11917	0.9
328.11792	0.7
328.53888	0.5
329.12103	0.6
339.93262	0.5
341.11435	0.6
353.11356	0.8
451.19382	4.3
465.20969	1.2
493.20367	18.5
494.21072	0.9
506.19290	1.8
537.19391	100.0
538.19733	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	537.194
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
56.68894	0.9
69.36626	2.3
69.37036	3.1
70.77560	1.0
75.04480	1.8
83.04971	6.8
84.05296	1.4
85.02901	19.5
86.03247	3.6
111.04448	2.4
112.04807	1.4
118.08539	0.9
128.06853	0.9
129.05484	1.3
130.05864	1.0
134.42357	1.0
159.87827	1.2
164.16467	1.0
171.06535	10.8
172.06859	7.5
189.07545	8.0
190.07907	3.0
205.04707	100.0
206.05103	2.2
279.08344	3.0
281.09937	50.9
299.06232	1.6
333.11697	2.1
334.11621	1.3
452.97885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47913	1.3
69.03445	1.6
69.35973	6.4
75.04500	1.6
83.04975	5.9
84.05345	2.1
85.02905	19.2
86.03253	4.4
90.21906	1.1
101.64153	1.1
111.04491	4.7
112.04766	2.4
121.16346	1.0
129.05464	2.4
139.03951	1.8
171.06505	10.8
172.06808	6.1
189.07570	10.0
190.07971	2.2
205.04715	100.0
206.05151	2.6
247.42921	1.4
279.08334	3.5
281.06848	2.6
281.09933	50.6
344.24097	1.3
489.30850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	6.3
66.48717	1.2
67.18013	1.2
69.03427	2.7
71.41812	1.3
73.04750	2.3
76.02224	1.4
79.05472	1.6
81.03402	10.8
83.24306	1.2
85.02914	6.6
91.05405	1.7
92.05009	2.3
93.07060	1.5
94.06544	2.1
95.07275	1.4
96.08116	2.5
97.02876	2.1
108.08114	8.7
109.02864	1.8
110.09675	4.9
111.04437	1.8
115.97365	1.3
116.04977	2.6
117.03347	2.5
119.08592	1.2
120.04435	5.3
120.08115	3.7
122.06030	4.3
127.03848	1.2
127.57592	1.3
128.06218	1.6
129.07013	4.1
133.02837	1.7
135.04393	5.1
136.07582	6.7
137.05963	30.4
138.09169	6.1
139.03886	2.1
143.05020	2.0
144.04448	7.0
145.02802	3.7
145.06442	1.3
147.08017	1.2
148.03917	100.0
149.04338	1.7
151.03900	35.5
151.04997	2.8
154.08495	1.6
154.40303	1.2
157.06447	3.8
161.06023	1.5
162.05421	6.6
163.03902	20.3
165.05473	1.9
166.04993	19.4
166.08638	15.5
167.05513	3.6
172.02429	2.1
172.03912	35.8
175.07567	3.3
177.05518	2.7
181.04967	9.0
189.09090	4.6
189.12640	1.2
190.05016	8.9
191.07027	3.8
203.06985	11.7
204.06540	79.5
205.08629	8.3
217.15797	1.7
219.08005	1.9
221.08054	3.2
227.11859	2.4
233.08157	4.9
237.09195	1.7
255.11259	16.8
265.05063	2.1
271.05960	1.4
273.12329	13.7
283.10782	16.4
286.08289	4.3
299.06146	2.3
300.06235	2.1
301.11798	72.9
302.11990	3.1
303.05203	1.5
319.13007	3.5
321.11072	2.1
325.11859	2.3
327.12311	3.6
334.09055	1.8
339.12430	4.8
343.12845	47.8
350.94211	1.6
357.06088	2.2
357.13898	15.5
375.14780	6.1
426.49991	1.6
442.93918	1.5
537.19324	6.3
537.26526	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36394	0.3
53.03939	0.8
54.77879	0.3
55.01854	1.6
55.05505	18.9
57.03422	1.1
65.03934	1.0
66.74841	0.3
67.05502	2.6
69.03426	2.3
69.07066	1.5
71.04980	3.4
73.04750	1.5
77.03919	0.6
78.04073	0.4
79.05480	7.2
81.03419	0.4
81.07047	16.0
83.04971	47.0
83.08630	0.5
84.05310	0.4
85.02853	0.6
85.06536	1.2
87.35233	0.4
91.05442	17.3
93.03399	0.5
93.07034	9.0
95.04954	10.6
95.08582	4.0
97.06503	2.1
99.04471	0.5
101.05978	1.9
103.05464	1.0
105.04552	0.8
105.07015	29.2
106.07314	0.4
107.04910	1.9
107.08580	10.3
109.06509	3.5
109.10143	0.7
111.08066	0.7
113.06010	0.6
115.05450	3.9
116.06187	0.9
117.07001	14.3
119.04902	0.7
119.08561	13.4
121.06486	4.3
121.10115	1.8
123.08078	1.9
125.05997	0.7
127.05408	0.5
128.05423	0.4
128.06201	11.5
129.06989	16.0
130.07782	5.4
131.04922	1.9
131.08551	22.6
133.06471	3.5
133.10118	8.5
135.08017	4.8
137.05995	0.7
141.06969	3.9
141.89162	0.4
142.07768	10.7
143.08543	46.4
144.09372	2.2
145.06459	3.6
145.10101	70.3
146.07253	0.8
146.10443	1.3
147.08043	5.5
147.11667	4.2
149.04475	0.5
149.06017	0.7
149.09590	10.4
149.10780	0.5
151.07549	1.2
153.06955	3.6
154.07771	1.9
155.06024	1.1
155.08528	21.7
156.09337	6.9
157.06546	0.9
157.10101	25.6
158.07260	2.2
158.47151	0.4
159.08055	2.8
159.11665	10.5
161.09587	21.8
161.13223	3.6
163.07556	0.4
163.11150	1.7
165.06956	7.2
165.09061	0.5
166.07738	0.6
167.05530	2.1
167.08559	2.5
168.05531	0.7
168.09258	0.5
169.10091	5.2
170.10864	3.4
171.08025	4.4
171.11670	8.4
172.08807	1.5
173.09596	37.6
173.13237	1.8
174.10066	1.0
175.11159	4.1
175.14792	4.1
179.08435	0.7
179.10683	0.6
180.09305	7.8
183.08041	1.5
183.10117	3.9
183.11681	3.4
184.08746	0.4
185.09752	2.1
185.13229	30.5
186.13533	0.5
187.11174	4.5
189.09076	1.4
189.12709	4.7
191.10648	3.9
195.11658	15.4
196.12019	0.5
198.10402	2.3
201.11111	0.6
201.12743	5.4
203.14281	17.6
205.12227	0.7
205.90292	0.5
213.12709	45.4
214.13036	1.1
217.15738	0.6
219.13777	3.4
221.15317	0.8
231.13765	100.0
232.14081	3.1
243.13982	0.7
249.14815	7.3
261.14774	0.8
268.00092	0.5
284.03018	0.8
286.49854	0.4
299.06100	2.1
300.06186	2.2
301.17923	1.5
319.18982	2.8
337.19998	5.8
344.97760	0.5
345.97574	0.6
504.10446	0.5
519.56976	0.4
537.21667	0.6
537.29858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17306	0.3
58.98972	0.3
69.07029	0.2
69.20039	0.4
69.20449	1.1
77.03903	0.3
79.05483	1.7
81.07020	0.3
85.02912	0.3
91.05822	0.4
93.07033	0.6
95.04948	0.8
95.07310	0.4
95.08614	0.3
96.08134	0.7
98.23451	0.6
105.03381	0.4
105.04468	0.3
105.07038	0.3
107.04944	10.3
108.05721	0.3
108.08115	0.2
109.06499	1.2
110.09647	1.2
117.03367	0.6
117.26759	0.3
119.04895	0.5
120.08054	0.8
121.06618	0.2
121.15448	0.3
123.04356	0.3
124.07594	0.3
133.02835	6.3
135.04413	1.5
136.07526	0.4
137.05942	0.8
138.09113	1.9
139.03914	0.4
144.04343	0.3
145.02841	0.5
147.04416	0.4
149.02333	0.3
150.01888	1.6
151.02661	0.6
151.03870	0.5
152.03433	1.4
163.03891	4.3
166.04924	0.3
166.08626	2.2
167.03259	0.5
172.03925	1.5
177.01797	1.0
190.04929	0.8
204.06509	1.1
212.07121	0.7
216.06454	0.4
228.06494	1.5
237.10191	0.6
240.06462	0.5
241.07242	0.4
245.06326	0.4
256.06003	6.1
257.06720	0.7
258.07620	2.2
265.09631	0.9
270.07462	0.6
271.08380	1.1
272.05524	6.4
272.08783	0.6
273.06296	0.5
274.10678	0.3
283.04721	0.7
284.05560	0.6
285.06271	1.5
286.07068	43.5
287.07755	7.0
287.10898	0.4
288.05115	0.4
288.08435	0.4
289.05219	1.0
290.14505	0.3
291.19543	0.3
293.09174	0.9
296.05518	0.3
298.07040	0.9
299.07806	0.8
300.05307	0.5
300.08609	4.8
301.05957	0.8
301.09406	1.9
302.10068	2.7
311.04181	0.4
312.05087	0.4
312.08627	0.4
314.10172	0.6
315.07315	18.5
316.08218	1.3
325.11786	0.4
329.06473	0.7
330.09674	100.0
331.10159	2.3
340.08109	1.3
341.11255	0.8
343.06808	3.2
344.07175	0.3
353.11304	0.6
358.09100	4.7
360.45850	0.3
362.98376	0.3
376.10208	8.7
465.18982	0.4
477.25034	0.3
488.17908	0.4
493.19672	0.4
494.20511	0.9
495.25806	0.4
506.18970	1.3
521.23517	1.6
537.19415	1.1
538.13269	54.2
538.19922	4.3
539.13580	2.8
539.24927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16047	1.4
55.32226	1.7
58.99586	5.7
62.08136	1.4
65.03931	2.2
68.14120	1.4
69.03403	1.7
69.38106	1.4
70.02927	1.7
70.54774	3.4
73.04767	3.3
76.02224	33.8
76.96313	1.5
79.05491	3.8
84.04507	5.4
85.77628	1.7
89.03926	11.5
91.05443	3.2
93.03378	2.2
95.04962	3.6
106.93027	1.5
107.04977	5.7
111.04440	6.4
116.01671	6.3
117.03366	13.2
119.04948	2.9
120.04467	1.9
123.04436	5.9
124.07620	2.4
130.04973	3.2
132.04488	1.7
133.02826	1.9
133.05217	2.1
133.10181	2.2
135.04402	28.4
137.02361	24.0
137.03384	3.5
138.05460	1.9
138.41159	1.5
139.03899	12.6
141.63170	1.6
142.03238	2.9
142.07806	3.0
143.08655	2.4
144.01154	5.2
145.02846	17.1
146.06044	2.7
148.03938	7.7
148.07533	2.4
149.04691	2.9
149.05907	1.7
150.05482	3.3
152.07014	2.1
156.09373	1.9
157.10080	4.6
161.04701	3.1
161.09624	4.7
162.02170	15.5
162.05443	3.1
163.03893	100.0
164.07076	6.6
165.06970	2.4
167.05574	5.4
170.02759	2.1
170.10883	2.1
171.07974	2.7
176.07056	5.0
178.05005	6.2
179.04845	32.9
180.06599	2.8
181.04951	9.2
183.08029	2.8
184.08696	2.0
185.13310	5.5
190.05013	4.1
192.06564	6.8
193.57338	1.9
195.11688	2.0
198.10449	3.7
202.04950	2.9
203.14313	7.5
204.06512	3.7
206.04436	3.5
208.06050	3.8
213.12711	14.2
220.06023	11.5
221.06076	2.7
223.07558	6.2
230.04373	2.6
231.13791	25.8
233.05904	10.5
241.07314	4.5
242.08192	2.1
248.05551	3.2
249.05467	6.4
251.07069	4.8
252.06499	3.3
254.08138	5.9
255.09081	2.3
256.09769	2.9
258.07684	1.9
258.11380	2.5
266.06558	1.9
268.06030	5.0
269.06830	1.8
270.07565	5.1
277.04755	3.8
279.06577	2.3
280.06171	3.6
283.08359	2.8
284.09134	33.5
286.07138	3.1
286.10580	1.8
288.08777	2.7
289.18176	2.6
294.07593	2.6
295.05972	10.0
296.09122	3.5
299.05951	4.7
300.06091	2.5
301.05905	5.6
302.10257	3.9
308.09064	26.8
312.08578	19.6
312.15741	1.9
314.06625	4.9
314.09991	2.9
316.08038	8.7
323.05542	8.2
329.08823	3.0
330.09674	22.9
338.09073	1.6
340.08127	18.3
341.06369	1.7
346.97562	1.9
358.09219	39.9
376.10220	63.1
377.10049	3.5
500.52512	2.0
520.12335	37.2
521.11523	2.1
538.12805	15.9
538.19800	4.6
539.12225	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	538.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75498	0.6
56.57581	0.6
65.03950	1.1
69.03422	0.7
69.07059	0.8
71.42104	0.8
73.04739	0.7
74.28778	0.6
79.05476	2.6
81.03441	0.8
81.07044	1.6
82.05010	0.6
84.08125	1.4
89.03909	10.8
91.05477	3.0
93.07036	1.6
93.58852	0.6
95.04942	2.6
95.08585	1.1
96.08095	0.7
103.05444	1.2
104.04947	0.7
105.07001	1.1
105.96516	0.8
107.04940	3.8
109.06534	0.8
110.09612	0.7
117.03369	10.8
117.05778	0.6
118.06516	0.8
119.04916	2.0
120.04423	1.6
121.06473	2.5
123.04430	3.8
124.07584	3.3
127.03887	1.0
131.04822	0.8
132.04440	1.2
133.02831	3.0
133.05179	2.2
134.05965	0.9
135.04404	21.1
135.06757	1.2
136.03940	1.4
136.07587	2.0
137.02335	21.5
137.03410	1.9
137.05956	2.3
138.05469	1.1
138.09111	1.2
139.03871	1.6
145.02831	16.5
146.05989	1.9
147.04413	1.2
148.03923	6.5
148.07607	1.5
149.04683	2.5
150.05518	1.9
151.03818	1.0
152.07039	1.7
158.29106	0.6
159.03094	0.8
161.04707	2.1
162.05490	4.2
163.03885	100.0
164.04227	2.0
164.07056	8.6
165.05396	0.8
166.08652	1.9
167.05588	1.6
167.06961	1.0
167.26181	0.6
169.14697	0.7
172.03876	0.7
174.05525	2.0
176.07053	6.4
177.05429	0.7
178.04955	5.0
179.03273	0.8
180.06517	2.4
187.02477	0.7
190.04976	3.8
191.05737	0.6
192.06525	7.8
194.08078	2.2
202.04958	3.7
204.06538	2.9
206.04475	3.9
208.05984	4.9
208.07642	0.8
212.06995	1.2
213.07800	1.6
220.05998	12.8
224.07060	1.0
225.07877	1.2
228.10141	0.7
236.07068	0.9
240.06485	1.5
240.08603	1.1
241.07259	4.6
242.08105	2.0
248.05481	2.4
251.05646	0.9
252.06522	1.6
253.07303	1.4
254.08055	4.6
255.08977	1.0
255.12515	0.7
256.05884	1.4
256.09686	2.5
258.07513	1.4
258.11200	1.7
260.09250	1.6
265.09921	0.8
266.06430	2.1
268.06027	3.7
269.06729	3.3
270.07578	6.4
271.08325	1.2
272.05490	0.8
280.05933	4.8
281.06680	0.7
282.07480	1.1
283.08380	2.7
284.09131	31.9
285.09781	1.9
286.06982	3.5
286.10709	3.3
287.08032	0.8
288.08530	3.4
289.05133	1.3
294.07498	2.1
296.05646	1.6
296.09061	2.9
298.07050	1.2
299.06110	1.6
300.08801	1.0
301.05865	2.1
302.10217	4.9
308.05521	1.1
312.08609	19.8
314.06500	4.2
314.10181	2.8
316.08109	6.9
322.07022	0.9
325.11523	0.9
328.08267	1.1
329.08893	2.6
330.09677	24.7
340.08151	23.5
341.11533	0.9
358.09192	35.8
359.09253	1.1
376.10220	65.6
377.10590	2.3
445.67117	0.6
452.20721	1.7
488.18250	1.0
506.19113	1.2
520.12329	44.0
521.12531	1.4
538.12311	9.8
538.27844	1.1
538.80780	0.7
539.19397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.4
69.66463	0.8
69.66821	0.8
70.06577	0.5
73.04763	0.8
73.11890	0.3
81.03418	0.6
84.08142	0.6
85.02895	1.5
89.03922	1.0
91.05784	1.0
92.04762	1.3
95.04948	0.8
97.02878	0.4
98.23381	0.8
107.04924	1.1
117.03382	1.9
123.04457	0.5
128.15651	0.4
133.02847	1.3
135.04390	3.2
135.06529	2.2
137.02292	0.5
139.03880	1.6
145.02815	3.5
151.03928	0.6
162.05243	0.8
163.03885	19.0
164.04236	0.4
167.05545	2.1
169.04732	0.7
177.05487	2.8
178.05907	0.5
179.03386	2.9
179.05940	0.7
180.04160	0.5
180.04675	0.5
180.06308	5.1
181.03305	0.7
181.04929	11.1
222.07271	1.0
243.99237	0.4
249.05589	0.7
295.06165	0.9
296.10968	0.7
299.06152	1.0
300.06320	0.4
301.05994	1.2
306.09424	0.5
324.06851	0.7
324.10574	2.8
342.11499	0.6
381.11548	1.4
399.12756	0.8
492.63315	0.4
520.17889	9.6
538.18896	100.0
539.19092	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	538.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.4
65.03923	1.7
67.05475	0.8
69.07063	0.6
70.71139	0.5
70.71457	0.4
79.05505	3.4
80.04993	1.8
81.05780	0.9
81.07040	0.6
82.06575	3.3
89.03897	1.1
91.05460	2.8
92.04979	1.1
93.05771	0.9
93.06521	0.6
93.07043	8.7
94.05994	0.7
94.06561	11.3
95.04935	1.6
95.07350	10.9
95.08598	0.5
96.08123	23.5
97.06528	2.1
99.94193	0.4
103.05447	1.6
105.04481	0.9
105.05743	0.9
106.06537	1.5
106.74073	0.5
108.04456	0.8
108.08112	17.3
109.08875	1.6
110.05997	0.8
110.09669	37.4
111.09952	0.6
116.04961	6.9
118.06494	1.9
120.04453	7.5
120.08094	24.4
121.06474	0.8
122.06029	6.0
122.09672	0.6
123.06778	1.7
124.07569	6.6
132.08061	0.9
134.06033	2.4
136.07565	11.2
138.04506	0.7
138.05501	7.7
138.09128	49.7
144.04434	14.7
146.06004	6.3
148.03937	2.5
148.07550	9.1
150.05505	2.2
152.07071	2.8
154.08611	0.5
158.05989	0.5
160.03896	2.4
162.05489	6.6
163.03928	0.6
164.07045	1.3
166.04994	5.8
166.08621	100.0
167.08926	1.5
170.08334	0.5
172.03918	58.9
173.04303	0.7
174.05521	1.4
178.04955	1.3
180.06532	1.1
184.09961	0.8
188.07056	1.0
190.04971	17.7
192.06554	0.9
193.07661	0.4
194.08261	0.9
194.09796	0.6
195.09192	1.4
196.07503	0.6
196.09889	1.1
197.10757	2.7
198.11467	1.4
204.06541	47.5
205.06857	0.7
207.09230	0.7
208.09879	0.8
209.10646	3.6
210.09232	0.8
210.11467	0.7
211.08611	1.1
211.12283	1.3
212.09404	5.5
213.10225	1.9
216.06419	0.9
218.04564	0.8
221.10698	0.9
222.07864	1.9
222.11366	2.1
223.08551	2.4
223.12306	1.4
224.09422	5.7
225.10197	6.3
226.10950	1.6
227.11723	2.9
233.10811	0.9
234.09091	0.6
235.08586	2.8
235.12308	0.6
236.09344	4.1
237.10210	19.8
238.10892	3.9
239.08142	3.0
239.11761	5.2
240.08945	1.3
241.09644	4.2
245.12825	1.3
247.14442	1.1
248.09462	0.8
249.10223	2.2
250.07303	2.5
250.10970	1.7
251.08133	3.4
251.11789	11.2
252.08870	3.2
252.12598	1.7
253.09723	8.1
253.13261	1.3
253.15883	0.4
254.10368	0.5
255.11195	3.7
257.12943	0.7
261.10248	0.6
263.08313	0.7
263.11804	2.4
263.14233	0.5
264.08926	2.3
265.09708	26.6
266.10422	5.0
267.11279	3.2
268.08423	1.4
268.11716	0.6
269.09442	0.5
269.12909	1.3
271.10779	3.1
273.09592	0.8
273.12341	7.8
273.15320	0.6
277.09741	1.0
278.06573	6.5
278.09900	0.8
278.10452	0.7
279.07990	1.0
279.11255	11.2
280.08447	2.6
280.11801	1.0
281.09225	2.7
281.12830	2.8
282.10132	0.7
283.10742	8.9
284.11322	0.6
285.12268	2.1
289.09708	1.8
291.11346	1.1
292.08374	1.3
293.09171	22.9
294.09943	4.5
295.10690	2.6
296.11670	0.8
297.12286	6.9
298.09717	0.6
299.10239	3.6
299.13913	1.2
300.11099	1.9
301.06125	0.7
307.10736	5.7
309.12283	3.7
311.10413	3.0
312.11023	4.4
313.11798	9.5
316.14410	0.8
323.10220	1.4
325.11777	21.0
326.12411	0.9
327.13425	1.4
329.15009	0.6
335.10254	8.1
339.13593	1.2
340.10446	2.8
341.11282	33.8
342.11703	1.0
343.12946	1.3
344.13968	0.6
353.11279	24.6
354.11807	0.6
357.14441	7.9
357.18445	0.8
360.17114	0.6
371.12482	0.5
372.16998	0.6
373.13989	3.1
385.13864	6.4
390.18469	0.6
400.16840	0.9
416.19589	0.8
418.17618	0.9
432.19473	1.0
434.20792	0.9
436.18823	0.6
437.19641	0.6
442.17630	0.9
444.19034	0.9
446.17294	0.7
460.18600	6.6
461.19897	0.5
464.18161	1.6
465.18970	8.7
470.17194	1.3
478.19714	9.7
478.26062	0.9
481.13025	0.5
488.18118	15.1
489.18762	0.8
506.19199	52.7
507.19327	2.5
520.20941	3.7
538.20056	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	538.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53397	0.6
53.65942	0.6
65.03926	1.7
67.05486	1.2
69.07043	0.8
69.22968	3.2
79.05471	2.6
80.05002	2.0
81.05770	1.2
82.06555	2.4
89.03918	2.1
91.05443	3.5
92.05007	1.1
93.05787	1.0
93.07033	7.5
94.06559	11.2
95.04947	1.7
95.07342	10.0
95.08580	0.8
96.08121	21.3
97.06492	1.2
103.05450	2.7
104.05022	0.6
105.23234	0.7
106.06566	1.5
108.04437	0.8
108.08111	14.9
109.08884	1.2
110.05997	1.1
110.09669	36.1
110.89594	0.6
116.04974	7.1
118.06519	2.2
120.04465	6.7
120.08094	24.1
121.06526	1.1
122.06027	4.2
123.06767	1.0
124.07571	6.0
131.04915	1.9
134.05971	3.5
135.04488	0.6
135.36826	0.6
136.07568	10.8
138.05502	6.4
138.09125	47.6
144.04445	10.9
145.02818	0.9
146.05983	6.0
148.03906	2.5
148.07550	9.3
150.05479	2.1
150.09126	0.7
152.07069	2.1
160.03900	2.8
161.05914	1.0
162.05461	6.9
163.03917	3.9
163.07555	0.7
164.07053	1.2
166.05000	4.6
166.08621	100.0
167.09039	1.8
168.06612	0.7
168.08107	0.7
172.03918	45.7
173.04359	0.9
174.05508	1.8
176.07069	0.8
178.05008	1.9
180.06543	1.1
181.84346	0.6
184.09976	1.2
190.04961	18.0
191.05415	0.8
191.39301	0.6
192.06505	1.0
196.09979	0.9
197.10762	2.8
198.11420	0.9
199.12140	0.8
204.06546	36.9
205.06659	0.8
208.09732	0.7
209.10744	3.1
210.11346	0.9
211.08670	1.2
211.12370	1.1
212.09425	4.5
213.10175	2.5
216.06535	1.5
218.04628	0.8
222.07816	1.5
222.11426	2.1
223.08627	1.9
223.12190	1.2
224.09404	4.6
225.10150	6.0
226.10844	1.3
227.11836	2.8
233.10666	0.6
234.09425	0.6
235.08667	2.2
235.12280	0.7
236.09247	3.5
237.10201	16.8
238.10924	3.6
239.08118	2.6
239.11763	4.6
241.09592	3.5
245.12737	1.4
247.08623	0.6
247.14380	1.3
249.10205	2.7
250.07289	2.3
250.11113	1.4
251.08214	3.3
251.11769	9.5
252.08861	2.9
252.12514	2.4
253.09691	8.2
253.13286	1.1
254.10262	0.8
255.11090	3.3
257.13153	0.7
261.10175	1.1
263.11728	1.9
264.08881	2.2
264.77191	0.7
265.09711	26.0
266.10483	3.7
267.11346	3.2
268.08377	1.6
268.62393	0.7
269.12906	1.0
271.10699	3.9
273.12299	6.4
277.09766	0.9
278.06577	8.3
278.09894	1.2
279.11261	11.0
280.08438	2.5
280.11780	1.4
281.09229	2.8
281.12866	3.4
283.10712	8.4
284.11435	0.9
285.12314	2.2
289.09705	0.9
291.11142	0.9
292.08160	1.7
293.09161	23.7
294.09958	5.5
295.10773	1.7
296.11475	1.0
297.12320	5.9
299.10236	3.2
299.13504	1.2
300.10901	1.8
307.10718	5.1
309.12238	3.5
311.10129	2.6
312.10971	5.0
313.11801	7.9
317.09125	0.8
323.10382	1.4
325.11798	22.4
326.12289	0.7
335.10181	8.4
340.10562	2.9
341.11285	29.9
342.11716	2.0
343.12881	0.9
353.11264	23.6
354.11963	0.9
357.14511	5.3
371.12634	0.7
373.14023	2.8
385.13858	5.4
390.17862	0.9
418.17920	0.8
432.18954	0.8
437.19229	0.9
444.19241	1.1
446.17117	0.7
460.18665	6.9
462.19983	0.9
465.18915	8.4
478.19745	8.8
479.19934	1.0
488.18134	12.3
506.19186	46.5
507.19626	2.6
520.21002	3.6
538.14655	0.8
538.22241	1.0
539.20941	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
56.05032	0.8
57.98801	1.2
58.99579	19.0
60.31143	0.6
65.03925	0.7
67.05470	1.3
69.03416	1.6
69.07061	1.6
69.57886	2.4
73.01125	0.6
73.04749	0.7
76.02220	100.0
76.03986	3.3
79.05485	1.2
80.04996	1.2
81.07047	1.4
83.04977	0.7
83.06111	0.6
84.04494	24.4
85.06541	0.7
86.99038	5.0
88.02223	1.4
91.05470	2.8
93.07033	2.3
95.04984	0.8
95.08595	1.5
102.05554	0.6
104.10785	0.6
105.07008	3.8
107.04972	1.0
107.08585	1.2
109.06499	0.8
114.03788	1.1
116.00837	1.2
116.01664	23.3
117.07014	0.7
119.08574	4.9
121.06501	1.7
121.10149	1.6
128.06232	1.6
129.06955	1.4
130.04976	12.4
133.02832	0.7
133.06499	1.3
133.10127	3.8
135.04413	1.8
135.08044	2.1
137.06000	1.6
139.03842	1.0
141.04756	1.1
142.03209	11.2
142.07782	1.6
143.08577	3.2
144.01123	14.2
145.10103	2.0
146.02719	1.0
147.04419	0.6
147.08035	2.9
147.11694	0.6
149.09590	0.9
151.07535	0.6
155.08572	1.3
156.09395	1.0
157.06503	0.7
157.10095	3.1
159.08008	1.9
159.11671	0.6
161.03876	0.5
161.05948	3.0
161.09608	5.7
161.13306	1.0
161.18781	0.6
162.02185	45.7
163.03853	1.9
163.07536	2.5
164.84108	0.5
165.07057	0.7
167.05550	2.4
169.05196	0.6
170.02658	4.3
170.10889	2.6
171.08005	1.7
172.08902	0.8
173.09569	1.6
174.10368	0.6
175.07526	12.4
175.11240	1.0
175.14796	2.3
177.09097	0.7
179.04836	78.8
181.04976	1.0
183.08046	1.4
184.08833	1.4
185.09584	1.1
185.13261	3.1
187.05338	3.2
188.03777	0.8
188.12010	1.4
189.09067	5.0
189.12706	1.3
191.03345	1.6
191.10657	0.8
195.11690	1.3
198.10385	2.0
201.09082	0.9
203.10612	0.9
203.12527	1.0
203.14296	10.2
213.12724	7.1
215.02901	0.9
215.04704	3.4
216.03349	1.0
216.11415	1.1
221.05943	0.8
231.13783	63.3
232.14098	2.0
233.05894	20.2
245.05862	4.6
249.05142	0.7
251.07024	0.9
286.07083	1.8
290.07950	1.4
291.06412	3.1
295.05756	1.0
299.06085	2.6
300.06180	1.4
301.06033	3.4
306.15186	0.9
308.09064	86.7
309.09317	1.7
315.07227	1.0
323.05667	0.8
330.09729	4.3
346.97635	0.8
376.10129	1.1
396.16736	0.7
409.18201	0.9
417.03253	1.0
445.34274	0.7
463.18808	1.5
489.57867	0.6
538.14673	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	538.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.5
67.05498	2.2
69.03413	4.0
70.28693	1.8
70.47225	3.9
70.55051	2.1
72.04529	2.1
73.42466	1.8
79.05486	5.2
81.03420	3.9
81.07042	2.7
83.08637	2.9
85.02895	13.6
89.03923	8.9
91.05428	2.4
93.03387	2.8
93.07027	6.1
94.06556	6.8
95.07348	3.0
95.08598	2.6
96.08131	8.7
97.02886	5.1
100.11241	6.5
107.04945	4.1
108.08115	6.3
110.09679	17.0
111.04444	7.8
115.05460	7.9
116.04977	3.1
117.03368	13.3
117.06989	2.9
119.05034	2.2
120.04459	3.6
120.08106	11.8
122.03645	5.4
122.06016	3.4
124.07600	4.2
127.03932	3.4
129.07007	6.5
131.04956	3.3
133.10146	2.5
135.04411	19.2
136.07565	4.7
137.02419	2.5
137.05960	94.4
138.06371	2.5
138.09132	22.6
139.03909	7.4
142.12248	3.6
143.04890	9.6
144.04454	5.2
145.02844	21.1
145.04987	2.4
146.06042	2.0
148.07556	3.7
151.04042	2.0
153.05449	2.7
157.06485	3.9
159.09219	2.2
160.05202	14.2
161.06013	2.9
162.05490	2.6
163.03891	72.3
163.07588	4.6
166.05095	3.0
166.08620	45.9
167.14368	3.1
172.03891	17.6
172.05168	3.6
174.06764	4.9
175.07532	100.0
176.07887	4.0
176.55254	2.0
177.05415	16.8
181.04980	6.1
182.15401	4.5
187.07521	37.6
189.09103	7.4
190.04980	5.8
202.99274	2.0
204.06595	7.5
205.06612	2.9
205.08519	20.6
210.14906	6.4
211.07477	4.1
217.08571	6.2
219.08081	2.2
221.05898	4.1
223.07504	2.1
225.05623	2.5
225.10237	2.6
231.07919	3.9
235.09695	19.0
236.09909	1.9
237.10190	7.3
238.05914	2.0
239.07060	3.1
239.11826	3.9
247.07524	2.3
249.05396	6.7
251.07314	3.3
251.11768	4.5
253.09686	3.3
263.10739	3.2
265.09760	12.8
267.06412	3.1
267.11386	2.8
269.18851	2.4
270.08817	2.5
271.09726	6.9
276.07980	2.4
277.04953	2.8
278.06595	6.0
279.11212	4.2
283.10712	4.2
291.10309	7.0
293.09088	10.9
294.09915	3.0
295.05960	6.9
299.10187	2.3
309.12183	2.6
311.12930	4.6
313.07053	3.3
313.11642	3.1
323.05338	3.1
323.12762	10.3
325.11963	9.4
335.10141	4.8
341.06995	2.5
341.11008	7.4
341.14017	7.5
353.11267	9.6
465.18741	6.3
488.18121	5.8
495.35242	8.1
506.19214	28.3
539.20215	3.3
545.64716	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89856	0.8
52.93772	1.0
53.24227	0.9
55.01873	1.2
61.02895	0.9
69.03428	2.2
70.85033	1.1
81.03408	2.0
85.02895	7.7
88.05664	1.0
91.03930	0.9
94.04182	2.0
97.02893	1.9
104.06546	0.9
107.04993	1.2
115.05450	5.0
117.07030	1.9
122.03641	4.0
125.06032	0.9
127.03951	1.4
128.06197	1.3
129.07007	4.6
130.14044	1.0
131.03970	0.9
131.04889	4.6
137.05963	81.6
138.06305	1.6
143.04918	10.9
145.02849	2.0
145.04947	2.1
145.06474	1.4
153.05453	3.0
157.06470	4.1
160.05185	13.8
161.05913	2.0
163.03952	1.9
163.07545	3.0
172.05205	2.6
175.07529	100.0
177.05464	2.1
180.08572	1.1
181.04863	0.9
185.05885	1.0
187.07520	34.1
189.09074	8.0
203.08470	1.6
205.08577	20.7
211.07442	2.1
217.08565	4.5
219.08060	1.4
231.08067	1.6
235.09601	16.1
239.07091	2.3
247.18892	0.9
259.07587	1.4
263.10620	2.4
270.08615	2.3
271.09576	4.3
276.07928	1.1
279.10196	1.8
283.09671	1.3
291.10104	5.3
295.06036	1.8
308.10425	1.2
311.12885	2.5
323.12729	5.5
341.14026	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	538.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.5
67.05498	2.2
69.03413	4.0
70.28693	1.8
70.47225	3.9
70.55051	2.1
72.04529	2.1
73.42466	1.8
79.05486	5.2
81.03420	3.9
81.07042	2.7
83.08637	2.9
85.02895	13.6
89.03923	8.9
91.05428	2.4
93.03387	2.8
93.07027	6.1
94.06556	6.8
95.07348	3.0
95.08598	2.6
96.08131	8.7
97.02886	5.1
100.11241	6.5
107.04945	4.1
108.08115	6.3
110.09679	17.0
111.04444	7.8
115.05460	7.9
116.04977	3.1
117.03368	13.3
117.06989	2.9
119.05034	2.2
120.04459	3.6
120.08106	11.8
122.03645	5.4
122.06016	3.4
124.07600	4.2
127.03932	3.4
129.07007	6.5
131.04956	3.3
133.10146	2.5
135.04411	19.2
136.07565	4.7
137.02419	2.5
137.05960	94.4
138.06371	2.5
138.09132	22.6
139.03909	7.4
142.12248	3.6
143.04890	9.6
144.04454	5.2
145.02844	21.1
145.04987	2.4
146.06042	2.0
148.07556	3.7
151.04042	2.0
153.05449	2.7
157.06485	3.9
159.09219	2.2
160.05202	14.2
161.06013	2.9
162.05490	2.6
163.03891	72.3
163.07588	4.6
166.05095	3.0
166.08620	45.9
167.14368	3.1
172.03891	17.6
172.05168	3.6
174.06764	4.9
175.07532	100.0
176.07887	4.0
176.55254	2.0
177.05415	16.8
181.04980	6.1
182.15401	4.5
187.07521	37.6
189.09103	7.4
190.04980	5.8
202.99274	2.0
204.06595	7.5
205.06612	2.9
205.08519	20.6
210.14906	6.4
211.07477	4.1
217.08571	6.2
219.08081	2.2
221.05898	4.1
223.07504	2.1
225.05623	2.5
225.10237	2.6
231.07919	3.9
235.09695	19.0
236.09909	1.9
237.10190	7.3
238.05914	2.0
239.07060	3.1
239.11826	3.9
247.07524	2.3
249.05396	6.7
251.07314	3.3
251.11768	4.5
253.09686	3.3
263.10739	3.2
265.09760	12.8
267.06412	3.1
267.11386	2.8
269.18851	2.4
270.08817	2.5
271.09726	6.9
276.07980	2.4
277.04953	2.8
278.06595	6.0
279.11212	4.2
283.10712	4.2
291.10309	7.0
293.09088	10.9
294.09915	3.0
295.05960	6.9
299.10187	2.3
309.12183	2.6
311.12930	4.6
313.07053	3.3
313.11642	3.1
323.05338	3.1
323.12762	10.3
325.11963	9.4
335.10141	4.8
341.06995	2.5
341.11008	7.4
341.14017	7.5
353.11267	9.6
465.18741	6.3
488.18121	5.8
495.35242	8.1
506.19214	28.3
539.20215	3.3
545.64716	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48042	5.7
63.96064	6.3
65.03932	8.1
70.01160	13.3
70.02927	6.3
70.67147	6.6
73.04756	7.7
79.37796	6.9
85.02904	7.6
86.01065	5.2
91.05826	15.4
93.03381	10.7
93.05468	6.2
95.04931	5.1
97.06563	8.8
98.23430	5.8
99.04408	7.6
103.03938	15.3
107.04921	11.8
111.04446	49.3
115.05437	10.6
122.03661	6.2
123.08047	9.1
131.04915	9.0
135.04416	45.9
135.43855	6.4
137.02364	11.6
137.05962	100.0
139.03893	81.2
143.04890	16.4
151.03979	7.1
163.03902	26.7
163.07555	9.6
167.05518	16.5
168.06532	20.8
169.05193	9.7
175.07513	62.6
181.04979	61.6
182.05374	7.1
187.03937	12.2
187.07498	31.9
189.09085	10.2
191.03430	6.3
205.06570	14.4
205.08534	23.4
217.08597	11.8
221.05948	24.2
223.07474	25.7
225.05447	13.0
231.08020	11.8
233.05949	10.8
235.09692	9.8
239.06993	7.4
247.07626	6.0
248.08273	14.3
249.05371	39.9
251.06989	29.3
253.04845	6.9
263.10657	18.4
267.06473	12.6
269.08124	14.4
271.09888	6.1
277.04938	19.8
279.10071	8.7
291.10126	25.6
295.05991	77.3
299.06091	22.8
300.06058	16.9
301.05933	23.1
308.10461	8.6
311.12659	17.5
312.08762	14.3
323.05533	58.5
323.12802	91.9
341.06705	10.2
341.13794	25.6
346.97266	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	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.7
59.08173	3.1
65.03931	7.6
65.36322	3.2
67.05486	4.8
69.03436	5.8
70.06586	17.6
70.76662	4.4
71.04980	5.2
79.05469	6.7
81.03409	5.9
81.07024	5.4
85.02888	14.6
86.09676	4.7
89.03921	10.1
91.05833	9.1
93.07029	4.3
94.06563	3.8
95.04948	7.4
97.02859	5.9
105.01858	6.2
105.07037	8.2
106.06570	4.3
107.04955	11.4
109.02820	5.4
109.06535	3.7
111.04434	17.0
112.04767	5.7
117.03369	9.8
119.04945	4.9
119.08554	5.6
120.04461	4.9
121.10133	5.0
123.04416	4.7
127.03909	10.3
131.04930	4.8
134.06039	8.4
135.04408	37.8
136.04706	8.9
137.05971	47.0
138.06364	6.9
138.09077	5.0
139.03911	21.2
140.04216	12.3
144.04413	6.0
144.50905	3.6
145.02837	11.3
145.04802	4.3
147.04335	6.3
148.07486	3.4
149.13315	3.7
151.03929	11.8
157.06491	8.0
162.05493	20.3
163.03891	100.0
164.04207	9.1
164.07010	5.0
165.01775	4.3
165.07246	5.7
166.08627	12.1
167.05544	4.3
168.06549	12.5
177.05501	4.5
179.03415	7.1
181.04941	15.7
182.05339	5.9
187.07535	13.0
189.09100	13.1
190.04976	53.2
191.08630	4.6
203.08560	12.3
218.04457	30.3
219.08047	13.6
221.05719	7.9
231.07991	13.1
235.07364	4.2
235.09526	8.5
239.06754	4.7
247.07503	12.2
248.08348	13.6
249.05440	14.4
251.40382	4.1
252.06526	4.3
263.10699	12.4
267.06281	11.3
268.99875	3.8
272.14685	7.0
277.04797	12.4
278.05414	4.5
279.05487	4.0
279.10046	17.8
280.05997	4.0
289.15384	14.1
290.15808	14.2
291.10065	29.9
293.08597	5.0
295.06015	17.7
297.06525	4.6
299.06076	6.7
300.06354	6.0
301.05875	15.6
309.07898	5.4
309.11121	18.5
310.07880	10.7
311.12762	9.0
312.08563	12.4
313.06851	8.6
323.05383	7.0
323.12845	27.0
330.09656	23.6
338.07339	14.9
339.07672	18.0
340.08047	33.6
341.13907	56.1
346.97470	7.4
376.10471	4.0
417.03751	7.0
495.21347	5.1
496.65009	4.0
506.19034	4.7
538.12769	51.3
538.19824	9.5
538.27209	6.8
539.20197	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	17.6
55.01870	4.6
55.05495	7.2
61.25161	3.1
67.05511	7.7
69.03416	26.7
69.07066	18.2
71.04993	6.4
73.02930	6.4
73.04762	5.9
76.02190	2.8
81.03406	46.3
81.07069	6.7
83.04970	4.3
83.08649	4.5
85.02897	56.1
87.00814	30.7
91.05786	13.0
95.04980	4.6
97.02878	44.7
98.23476	5.7
99.04446	28.9
100.11269	6.3
103.03949	14.6
105.01873	26.8
107.08566	3.5
109.02869	100.0
127.03901	96.2
127.04855	4.0
129.01874	4.0
138.09184	8.3
145.04938	25.7
147.02875	3.5
149.87790	3.3
159.02885	13.1
163.05995	7.0
166.08603	7.1
167.05614	7.7
172.04036	3.2
175.94893	3.1
187.06047	3.6
192.60266	3.2
213.03908	18.7
218.12733	3.1
231.04996	47.9
249.06032	11.4
291.07098	17.6
299.06277	9.9
300.06183	4.8
301.05841	16.0
341.11215	4.5
357.07999	7.5
375.09338	12.2
393.10168	10.0
417.03305	6.2
506.18900	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	538.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	27.5
62.78568	19.0
67.05499	49.5
69.03429	28.3
71.43275	16.1
73.04752	32.3
74.51266	18.8
77.34301	16.6
79.05488	31.1
81.07060	72.0
85.02905	80.0
87.00809	38.1
90.78054	15.6
91.05807	87.0
92.05645	20.2
93.07044	39.4
95.05815	16.5
95.08585	42.6
97.02875	28.5
105.01884	41.2
107.08601	27.7
109.02879	24.7
111.27863	16.4
121.10159	49.1
123.11726	38.6
127.03922	76.8
135.11702	48.8
137.13197	23.9
147.58871	17.6
149.13295	28.7
166.23447	18.4
167.05551	88.1
168.05661	21.6
173.11577	16.4
214.12997	17.0
219.21031	44.7
228.96584	21.2
255.23235	53.9
266.99899	20.1
299.06207	65.8
300.06143	42.7
301.05835	100.0
346.97598	31.4
350.92520	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.05510	12.6
57.03415	2.6
58.06578	2.8
65.03911	3.0
67.05505	19.4
69.07066	6.1
71.01527	3.6
71.04977	6.5
73.04753	4.6
79.05474	22.4
80.64645	2.6
81.03427	2.6
81.07043	35.8
83.04965	22.8
84.25216	2.9
85.06535	5.4
91.05434	58.0
93.07034	31.2
95.04961	18.0
95.08606	21.9
97.06520	6.0
105.07021	100.0
107.04938	4.5
107.08581	29.2
109.06497	13.7
113.29034	2.9
115.05475	4.8
116.06197	3.8
117.07010	51.4
119.04977	4.2
119.08575	61.8
121.06509	7.6
121.10154	6.8
122.09677	3.5
123.08068	7.0
125.09631	2.6
128.06226	7.2
129.06992	28.6
130.07774	4.1
131.08554	77.3
132.21498	2.5
133.06487	4.7
133.10121	56.7
133.11139	3.3
135.08064	4.9
135.11633	3.2
137.09621	2.5
141.07004	10.9
142.07764	45.8
143.08565	11.6
144.09343	6.5
145.10114	44.2
147.07986	5.1
147.11665	43.1
149.04503	3.6
149.09631	5.8
149.13342	3.6
155.08554	12.0
156.09315	3.8
157.10110	76.1
159.08070	7.5
159.11667	52.7
159.12921	3.1
161.09615	15.9
161.13242	7.4
163.14803	3.0
167.05553	8.9
167.08585	3.9
169.05276	3.8
169.10129	7.3
171.11671	8.3
173.09657	5.4
173.13260	15.5
175.09650	5.1
175.11162	93.3
175.12622	5.2
177.12772	9.5
177.16248	3.0
182.10988	4.7
183.10133	4.3
187.11127	4.2
187.14822	28.5
191.14307	11.3
193.12256	5.2
197.13284	15.1
215.14285	41.0
223.85365	2.4
233.15395	21.3
293.17404	6.6
298.07529	2.5
299.06210	7.5
300.06107	6.2
301.05807	14.3
338.23264	27.3
487.28247	2.8
538.30579	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	538.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37796	0.7
55.05502	14.0
57.07074	2.0
65.37830	0.8
67.05495	8.5
69.07062	5.2
70.07713	1.1
70.08042	1.2
73.06564	0.8
75.84182	0.8
76.87672	0.8
79.05485	5.6
81.07044	14.8
83.04970	33.2
83.08603	2.4
85.06561	0.8
91.05453	12.0
93.07034	13.2
95.04955	1.1
95.08598	28.5
101.06013	5.2
105.07014	53.5
107.08578	20.9
107.09254	1.4
109.10149	20.4
117.06986	2.0
119.08569	34.5
121.10128	10.9
123.11687	5.8
130.93289	0.7
131.08577	1.9
133.10110	23.9
135.11670	3.4
137.13283	0.9
145.10086	2.9
147.11667	100.0
148.12010	1.7
149.13240	1.2
151.11159	1.1
156.99683	0.8
159.11700	1.8
159.45186	0.8
160.12393	1.4
161.13240	13.7
163.14809	5.2
167.05571	1.0
175.14812	3.2
177.16444	0.9
183.10168	6.0
201.11241	2.3
203.17924	78.1
204.18263	2.9
221.18973	2.6
245.25877	0.8
257.98947	0.8
282.27740	1.1
299.06042	1.2
301.05948	1.3
526.74591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18380	3.9
58.65903	4.7
65.03922	8.5
70.37259	5.2
80.56930	4.4
81.25248	4.2
91.05537	4.6
93.03405	19.0
98.22838	5.0
100.11288	4.3
107.04967	13.5
108.83406	3.7
111.04436	58.3
135.04404	44.6
137.02344	8.0
139.03882	100.0
143.04933	9.0
153.05402	5.4
159.04335	5.7
163.03928	17.8
165.07048	5.9
181.04944	50.9
187.03915	13.6
203.03418	8.8
205.06494	16.3
221.06017	11.5
223.07516	58.8
231.02888	18.2
233.05959	14.4
249.05495	27.4
251.06995	57.8
253.04886	4.4
267.06528	7.9
269.08124	34.0
270.08557	4.3
277.04840	19.4
295.05978	36.5
296.06378	7.9
307.30362	4.0
313.06921	7.8
320.52704	4.5
323.05380	31.6
341.06677	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	539.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91833	3.9
65.03934	12.1
89.03982	4.2
91.05468	9.0
93.03403	22.1
98.22630	8.4
107.04953	17.9
107.23564	3.5
111.04435	65.3
112.04749	4.1
115.05390	4.4
125.95908	3.7
132.48943	3.7
135.04395	46.6
137.02296	8.2
137.05977	4.6
138.35619	3.5
139.03891	100.0
140.04239	5.3
143.04840	5.3
153.05469	6.3
163.03902	17.3
163.85071	4.1
168.12506	3.5
181.04930	59.9
187.03845	9.4
193.06483	4.4
205.06516	15.9
206.13846	4.2
221.05940	20.6
222.05983	4.1
223.07565	58.4
224.07867	5.3
225.05490	5.2
229.28506	5.3
231.02826	18.1
233.05959	13.5
249.05453	27.5
250.05730	5.5
251.06990	65.1
252.07370	4.4
267.06448	12.8
269.07956	35.1
277.04990	18.3
279.06339	6.3
295.05978	37.6
296.06256	11.3
297.07672	6.7
313.06741	5.3
323.05457	37.3
324.05972	10.0
341.06464	13.2
447.17844	4.7
539.20184	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	539.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95830	2.4
65.03939	15.1
69.15656	11.7
69.16055	6.8
79.05458	4.4
83.56212	2.5
91.05481	6.3
93.03403	21.9
107.04971	13.6
111.04439	62.3
115.05470	5.6
131.04913	3.1
135.04411	50.5
135.05359	4.7
137.02361	7.9
137.05911	4.3
137.28432	2.9
138.24562	2.7
139.03888	100.0
139.70517	3.2
143.04961	5.3
151.03989	3.2
153.05499	5.5
159.04395	6.6
163.03922	16.9
165.07082	4.7
177.09854	2.8
181.04965	61.7
187.03874	15.7
191.08731	3.1
193.06622	4.6
197.06052	3.8
203.03380	3.9
205.04869	6.3
205.06535	14.5
215.14146	2.7
221.05890	17.4
223.07541	54.6
224.07669	3.4
225.05595	2.8
231.02885	27.9
233.05911	15.5
239.07011	4.7
243.06627	2.8
249.05458	32.4
251.07031	59.8
267.06506	10.1
269.08051	34.8
277.04913	19.8
279.06665	2.8
285.07684	2.8
295.06000	37.7
297.07260	5.7
313.07028	13.7
323.05481	33.5
341.06622	14.7
515.71613	2.9
521.10736	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	539.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81048	4.0
62.67263	3.6
65.03936	11.2
69.03421	4.9
69.07034	5.7
69.14620	26.9
69.28496	4.9
71.08624	5.1
77.33119	3.8
79.05505	10.0
81.03448	5.7
81.07058	10.6
83.04958	5.4
83.08628	5.0
85.02912	3.7
91.05484	13.8
93.03406	12.4
93.07056	7.1
94.06569	13.2
95.07352	4.9
96.08122	20.2
97.08479	6.0
100.11246	12.6
103.05473	5.7
105.07079	4.5
107.04948	13.2
108.08109	9.9
109.02871	4.7
110.09660	25.6
111.04436	70.9
111.09991	7.7
115.05464	8.9
116.10748	4.5
117.03437	4.5
120.04415	4.3
120.08105	27.0
122.06049	7.5
124.07587	10.7
131.05003	8.0
135.04404	54.2
136.07542	5.1
137.02341	6.0
137.05968	4.3
138.09126	51.0
139.03876	100.0
139.05960	3.6
139.09445	9.6
143.04895	8.1
144.04402	6.4
147.11693	4.3
148.07573	6.9
151.03929	8.4
153.05522	6.0
162.05513	6.5
163.03906	45.5
165.07011	4.3
166.04974	4.4
166.08624	88.8
167.08989	28.6
170.15436	11.7
172.03896	36.4
173.04286	14.1
181.04951	52.2
187.03905	14.6
190.04971	11.5
192.43503	3.8
198.14937	14.3
203.03497	4.5
204.06548	26.2
205.06642	16.9
221.05974	17.8
222.06244	4.8
223.07510	46.9
225.10132	4.4
231.02824	24.5
233.05952	17.5
236.09259	7.6
237.10211	13.6
238.10713	9.4
239.06987	4.9
240.12131	5.5
244.36575	4.0
249.05464	30.7
250.05829	6.2
251.07024	50.5
251.11978	9.3
252.07310	7.4
252.12273	5.0
253.09641	5.1
254.10252	6.5
265.09720	15.1
266.10159	9.6
267.06439	5.1
267.11102	5.3
268.06509	4.9
269.08017	28.5
271.10870	6.7
277.04913	19.2
278.05826	5.3
279.06686	5.4
279.11313	10.8
280.11545	5.8
281.09082	4.7
283.10712	11.2
284.11285	6.2
286.07269	5.7
287.07291	6.8
291.15625	6.3
293.09149	14.5
293.12268	4.2
294.09592	13.9
295.05981	41.3
296.06317	13.5
300.06134	5.4
301.06009	4.8
301.10825	4.1
302.06149	4.7
309.12106	5.5
313.06741	4.9
313.11749	5.6
314.12048	4.0
323.05460	40.1
324.05664	12.3
325.11865	10.0
326.12079	15.9
330.09763	12.9
331.10010	14.4
334.71521	3.8
335.10062	4.1
341.06619	15.2
341.11295	16.0
342.11667	13.2
342.27628	4.9
353.11365	17.6
354.11472	14.5
377.08685	4.5
377.22757	9.8
424.31491	7.8
435.12479	13.5
460.18582	4.0
461.18967	5.7
465.19147	6.1
466.19000	5.6
471.56076	4.2
479.20035	7.2
489.18069	13.8
495.21570	14.4
506.19034	19.9
507.19540	42.4
521.21313	3.8
539.12518	17.4
539.20520	49.3
539.26984	6.7
539.41888	9.8
540.22174	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	539.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56972	3.5
61.44829	3.0
65.03923	12.3
80.00977	3.2
89.03905	6.7
91.05468	6.6
93.03403	17.3
98.23506	6.9
107.04957	14.2
111.04445	48.7
115.05486	3.7
117.03343	6.9
123.04410	3.1
135.04416	43.8
137.02336	10.7
137.06020	3.3
139.03889	70.1
145.02792	6.2
163.03891	100.0
165.07076	3.1
175.03870	4.6
181.04939	34.0
182.05237	3.7
187.03938	7.5
197.09120	3.0
203.03114	3.3
205.06509	12.2
221.05940	13.7
223.07532	44.1
231.02826	10.1
233.05989	8.8
239.06952	5.4
249.05507	24.0
250.05940	4.9
251.07013	47.1
253.04724	3.6
267.06641	7.9
269.08047	25.2
271.05634	3.1
277.04974	15.7
281.04382	3.0
295.06036	29.5
296.06342	4.9
303.78360	3.4
313.07129	9.2
323.05389	17.0
341.06573	10.6
491.01770	2.7
539.19690	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	539.1183
Annotation	Yunnaneic acid C
Peak:m/z	Relative Intensity
54.18375	5.4
54.64462	5.3
65.03944	14.0
70.55527	8.7
77.40744	5.0
91.05470	9.0
93.03403	32.1
107.04935	16.7
111.04455	70.0
113.45182	5.1
115.24644	5.3
123.04487	6.1
127.85540	5.7
135.04413	60.3
137.02382	17.2
139.03893	100.0
163.03854	13.9
175.03938	7.1
181.04933	40.6
187.03905	16.2
205.06483	16.2
221.06041	14.5
223.07480	60.8
231.02904	14.6
233.05862	26.6
239.06885	7.4
249.05437	38.9
251.06999	58.0
262.07828	5.5
267.06458	12.1
269.08096	24.9
277.04968	20.9
295.05988	40.1
296.06451	8.1
323.05533	28.1
341.06482	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	539.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
54.57545	0.2
63.02370	0.7
67.05489	0.5
69.03429	0.3
75.78540	0.2
77.03933	0.3
79.05487	2.0
80.32126	0.3
81.03400	0.3
81.07043	0.6
87.00838	0.3
89.03910	10.5
91.05440	0.7
93.07024	0.3
94.06534	0.3
95.04951	0.9
95.08588	0.5
96.08118	0.5
100.11255	0.3
104.81666	0.2
105.03361	0.6
107.04943	3.3
108.08125	0.6
110.09649	0.6
111.04440	1.2
117.03364	12.2
119.04939	0.4
120.08085	0.7
120.08898	0.2
121.08407	0.3
122.03568	0.2
122.06051	0.3
123.04415	2.7
124.07581	0.4
125.02357	0.3
133.02817	1.8
135.04404	23.4
135.11638	0.2
136.07507	0.3
137.02283	0.3
137.06000	1.6
138.09109	0.8
139.03889	7.7
145.02837	13.8
147.04379	1.7
151.03903	0.6
152.04594	0.3
152.07025	0.4
153.05450	0.3
161.02290	1.9
163.03883	100.0
164.04256	1.7
165.01849	0.5
165.06985	0.8
165.96916	0.2
166.08609	2.4
167.08928	0.8
171.04413	0.8
172.03906	1.1
173.02333	1.2
173.04218	0.3
175.03937	1.4
179.03349	0.6
181.04886	0.7
181.06374	0.3
183.04366	0.5
185.02437	0.3
186.05429	0.2
190.05017	0.3
191.03401	0.3
192.09581	0.2
193.06541	0.8
197.05981	0.4
204.06511	1.0
205.06743	0.6
208.06055	0.3
211.07520	0.5
221.05960	2.9
225.05537	0.4
239.07088	0.7
242.05742	0.3
249.05440	3.9
251.07481	0.3
253.04745	0.4
265.04907	0.6
265.09616	0.5
266.05576	0.5
267.06470	3.2
271.05936	0.5
277.04926	3.2
281.04431	1.0
285.07452	0.5
295.05978	9.3
299.05496	0.8
302.10074	0.7
313.07019	7.3
323.05389	0.4
330.09665	1.6
332.11255	1.0
341.06461	1.2
341.11118	0.3
342.11661	0.5
353.11087	0.4
359.07074	1.1
360.10669	0.4
415.39566	0.2
489.18100	0.3
495.20889	0.3
506.19312	0.5
507.19379	0.9
510.13678	0.7
539.20697	2.7
540.14722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.4
55.01872	0.5
55.05501	0.7
63.02364	0.9
65.03930	0.8
67.05509	0.5
67.52090	0.4
68.88929	0.4
68.99779	0.5
69.03437	0.4
69.07070	0.4
69.53609	1.7
79.05496	2.2
81.03424	0.6
81.07076	0.6
85.02892	0.7
89.03905	10.3
91.05476	1.1
93.07038	0.4
95.04948	1.2
96.78822	0.4
97.02892	0.5
98.22715	0.4
100.11201	0.5
105.01857	0.4
107.04932	2.6
107.08553	0.4
110.09645	0.5
111.04440	1.0
117.02562	0.7
117.03367	10.6
119.04908	0.7
119.08620	0.4
120.04481	0.4
123.04415	3.6
125.02351	0.4
133.02826	2.4
135.04404	22.0
136.04749	0.6
138.09090	0.6
139.03883	13.7
145.02834	13.1
145.03807	0.3
147.04381	3.3
151.03859	0.5
153.04242	0.6
153.05502	0.4
161.02335	3.8
163.03888	100.0
164.04233	2.0
165.01884	0.5
165.06976	1.4
166.08586	1.4
167.03354	0.5
167.08936	0.4
168.06563	0.7
171.04396	1.6
173.02335	1.9
175.03874	2.7
177.05470	0.6
181.04979	0.9
183.04369	0.5
185.02245	0.6
191.03310	0.7
193.06491	1.0
221.05933	3.4
238.10696	0.5
239.07024	0.4
249.05431	3.9
250.05806	0.5
253.04741	0.4
265.04868	1.4
267.06485	4.3
277.04892	3.0
281.04422	2.1
295.05991	12.2
299.05469	2.2
302.10236	0.7
313.07013	12.2
319.18637	0.4
330.09515	0.8
341.06470	0.5
359.07590	1.2
402.55865	0.4
507.19110	0.6
539.21185	2.0
540.14374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67866	0.9
69.76364	2.9
74.95311	1.0
81.57787	1.0
91.05778	1.5
157.01736	0.9
163.03810	1.0
163.06212	1.0
167.05537	1.2
171.84900	0.9
231.99556	1.0
301.05869	1.4
302.06207	1.3
307.55444	1.1
348.92575	1.0
358.16089	1.0
521.15216	2.0
539.16296	100.0
540.16571	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	539.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51714	0.7
55.05514	1.6
61.09535	0.7
69.03423	1.3
69.16952	2.4
69.17337	1.7
71.08619	1.1
73.02876	0.9
79.05485	1.3
81.03394	0.9
81.07043	3.2
85.02880	1.1
89.02816	0.7
91.05438	0.9
93.07063	1.2
94.06585	0.9
95.08614	2.1
96.08140	0.8
98.09664	1.2
100.07604	0.8
100.11256	2.2
103.08499	0.7
105.07024	0.9
108.08157	1.0
110.09641	1.2
111.04431	2.3
116.10722	1.0
120.08096	1.1
135.04420	1.4
138.09145	2.0
139.03899	1.9
141.94736	0.9
145.02881	0.9
145.10065	1.2
147.04518	0.9
147.11653	1.1
151.03970	1.0
163.03906	4.0
164.07057	1.2
166.08630	4.2
167.08968	1.8
170.15398	3.5
172.03943	2.4
173.04431	0.9
173.13248	0.9
181.04933	0.9
182.15402	2.1
187.79187	0.9
198.14871	6.1
204.06566	1.5
210.14917	2.4
226.14386	1.7
245.06439	1.5
251.07031	0.9
266.10013	0.9
273.14639	1.8
282.12537	0.8
287.07413	0.9
289.05377	0.9
291.15640	14.9
300.06058	0.9
301.06201	1.1
319.15244	1.3
331.10391	0.9
341.11224	1.8
342.11676	1.3
342.27759	1.1
377.22955	3.6
424.31680	2.5
435.12686	6.2
435.18494	0.9
452.30746	1.0
453.20831	9.8
495.21933	34.9
496.21970	1.3
507.19522	3.3
521.18799	0.9
521.40295	1.1
539.20929	100.0
539.28070	6.6
539.41595	3.5
540.21387	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	539.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51714	0.7
55.05514	1.6
61.09535	0.7
69.03423	1.3
69.16952	2.4
69.17337	1.7
71.08619	1.1
73.02876	0.9
79.05485	1.3
81.03394	0.9
81.07043	3.2
85.02880	1.1
89.02816	0.7
91.05438	0.9
93.07063	1.2
94.06585	0.9
95.08614	2.1
96.08140	0.8
98.09664	1.2
100.07604	0.8
100.11256	2.2
103.08499	0.7
105.07024	0.9
108.08157	1.0
110.09641	1.2
111.04431	2.3
116.10722	1.0
120.08096	1.1
135.04420	1.4
138.09145	2.0
139.03899	1.9
141.94736	0.9
145.02881	0.9
145.10065	1.2
147.04518	0.9
147.11653	1.1
151.03970	1.0
163.03906	4.0
164.07057	1.2
166.08630	4.2
167.08968	1.8
170.15398	3.5
172.03943	2.4
173.04431	0.9
173.13248	0.9
181.04933	0.9
182.15402	2.1
187.79187	0.9
198.14871	6.1
204.06566	1.5
210.14917	2.4
226.14386	1.7
245.06439	1.5
251.07031	0.9
266.10013	0.9
273.14639	1.8
282.12537	0.8
287.07413	0.9
289.05377	0.9
291.15640	14.9
300.06058	0.9
301.06201	1.1
319.15244	1.3
331.10391	0.9
341.11224	1.8
342.11676	1.3
342.27759	1.1
377.22955	3.6
424.31680	2.5
435.12686	6.2
435.18494	0.9
452.30746	1.0
453.20831	9.8
495.21933	34.9
496.21970	1.3
507.19522	3.3
521.18799	0.9
521.40295	1.1
539.20929	100.0
539.28070	6.6
539.41595	3.5
540.21387	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	539.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24510	0.8
65.03932	2.9
70.72149	1.7
74.67619	0.9
89.03906	0.8
91.05472	1.1
93.03381	3.5
93.39301	0.7
107.04935	2.5
111.04438	10.4
115.05423	1.1
135.04407	7.5
137.02370	1.1
139.03897	16.1
143.04924	1.1
163.03894	7.0
181.04941	7.8
187.03973	1.8
205.04733	3.7
205.06525	2.5
206.05084	1.8
221.05986	2.8
223.07513	7.6
231.02872	3.1
233.05911	3.0
249.05499	6.4
251.06985	8.5
267.06412	2.0
269.08020	3.6
277.04898	3.8
281.09940	100.0
282.10281	3.4
295.06113	5.1
297.07520	1.3
313.06979	1.6
323.05447	6.2
341.06674	1.0
505.49661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77244	0.8
51.79943	0.7
55.05520	1.1
69.03420	1.3
69.09241	5.0
79.05482	1.9
81.07057	2.2
85.02892	1.0
86.09716	1.4
89.03943	1.2
91.05464	1.9
93.07055	2.4
95.04943	0.9
95.08591	1.8
95.52103	0.8
96.08098	1.0
96.87814	0.9
105.07033	1.8
107.04964	4.7
109.02892	1.0
110.09713	1.2
111.04385	1.0
112.26482	0.8
117.03361	1.4
117.07131	0.9
119.08587	0.8
120.08121	1.7
121.02873	2.7
127.00073	1.0
131.04936	1.8
133.02838	3.5
134.03580	1.1
135.04427	2.5
137.05981	2.1
138.09120	1.5
139.03900	2.8
139.09506	1.1
145.02815	1.4
153.01862	2.2
159.11658	1.5
163.03914	11.7
164.04295	1.3
166.08620	3.7
167.03282	2.3
167.08922	1.5
169.04738	1.9
172.03986	1.0
173.04341	1.7
185.04210	2.2
189.12718	1.0
190.04950	1.0
203.05237	3.8
204.06572	1.3
205.06937	1.3
227.05252	2.0
228.06517	1.0
245.06296	9.6
256.06152	1.2
257.06451	1.9
258.05237	1.5
267.56454	0.9
271.04288	1.6
272.05429	2.5
272.08514	0.8
273.05731	1.5
273.18188	5.8
286.04471	1.5
286.07138	11.2
287.04062	1.4
287.07440	17.4
288.08154	2.5
289.05270	15.7
291.15729	2.2
291.19281	7.1
294.09509	1.1
301.06674	5.4
302.05759	0.9
302.09924	1.0
303.10663	1.0
314.04337	1.2
315.07321	4.6
316.07672	6.5
326.11758	0.9
329.06522	23.1
330.09698	23.6
331.10092	35.5
332.10281	1.4
342.11603	1.2
344.07318	1.7
354.11664	1.4
359.09473	1.7
377.10770	4.5
377.14902	1.1
377.22913	1.8
425.27472	0.8
435.23663	3.8
453.25327	5.7
455.33237	0.9
477.24649	20.5
478.24762	1.4
489.18579	1.1
495.26215	21.6
507.19360	2.9
521.23584	100.0
522.24072	3.7
539.13300	23.7
539.24298	80.0
540.13702	2.0
540.24585	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	539.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.6
63.82347	0.6
65.03921	1.1
67.05490	0.9
69.03396	0.8
69.28393	2.3
69.28803	1.6
77.03921	1.0
79.05481	6.5
79.99310	0.6
81.07042	4.7
91.05434	8.3
94.04179	1.5
95.04942	3.2
99.08086	5.1
105.03382	2.1
105.04468	1.1
105.07041	3.0
106.04117	0.6
107.04955	6.0
109.06503	21.4
109.07221	1.4
110.87334	0.6
119.04934	2.1
121.06499	0.9
123.04431	2.5
124.05194	1.4
133.02844	7.9
133.06473	2.4
135.04384	1.1
137.05960	40.4
145.06514	0.7
149.05971	1.2
154.06227	1.8
159.08116	0.8
159.11638	0.9
161.05946	6.5
163.03941	1.3
165.05461	24.1
165.06795	1.3
167.05643	0.8
167.07011	17.4
172.08765	1.7
173.09546	0.8
173.94167	0.8
175.07532	0.9
180.07895	0.8
181.08560	1.3
182.09329	1.0
183.08102	0.9
185.05925	0.9
187.07584	2.0
187.11183	0.9
192.07744	1.3
193.08577	4.6
197.08058	19.9
199.07622	3.7
200.08334	4.9
201.05469	0.7
203.07005	1.8
211.07584	0.9
213.09058	0.9
214.06203	1.2
215.07048	2.1
215.10634	13.5
225.09203	1.0
227.06949	5.0
227.10638	0.8
228.07751	3.6
229.12225	1.9
241.08569	2.5
241.12239	2.8
243.10139	41.9
244.10544	1.1
245.11711	6.3
252.11598	0.8
253.12277	0.9
255.10162	1.4
256.10907	4.9
257.11676	1.6
260.76401	0.8
269.11737	1.9
272.07996	0.8
281.11655	1.7
300.06201	0.7
301.05795	0.9
311.16373	1.1
314.09354	0.8
315.10339	0.8
329.17496	4.1
359.09018	1.1
375.12155	1.6
387.12665	1.0
405.16858	0.9
435.18140	1.1
453.19040	100.0
454.19220	3.2
481.22162	0.9
521.25403	2.7
539.26917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58014	1.1
65.74135	0.9
71.40489	1.0
77.91439	1.0
79.05485	3.1
81.03414	1.4
85.02919	1.5
89.03905	3.4
91.05849	1.3
97.02865	1.5
107.04934	2.4
107.08628	1.0
109.02864	1.6
109.10178	1.2
111.04448	3.0
117.03370	3.8
131.04962	1.8
132.05203	1.1
135.04388	9.4
135.11746	2.2
136.11536	1.1
137.02267	1.2
139.03876	5.2
145.02846	6.6
147.04395	1.7
163.03903	22.0
164.04247	2.4
181.04901	2.2
191.03362	36.9
197.06020	1.2
201.03613	2.3
203.05258	1.6
209.04568	1.4
211.03900	1.1
214.02591	1.2
223.07623	1.7
225.05482	1.6
227.03346	2.4
228.04100	2.2
231.02979	1.4
238.02524	1.2
239.03365	2.4
242.05704	3.3
243.06523	1.9
251.07037	1.5
253.04997	2.4
255.02914	1.9
256.03723	2.1
257.04523	6.1
259.05972	1.7
269.07611	1.2
270.05084	1.8
271.05981	3.6
273.03976	3.5
281.04282	1.6
283.02374	1.5
284.03183	3.4
285.03888	8.8
285.07544	2.8
288.06140	3.3
291.15665	2.3
298.04770	1.6
299.05545	3.8
300.06271	12.2
301.06192	1.7
302.03934	2.1
313.06815	2.6
315.04965	2.0
316.05435	1.8
317.06445	7.9
318.56668	1.1
327.05002	1.4
330.07028	1.5
331.07986	6.8
335.07721	2.4
341.20963	1.9
346.12717	1.4
353.08612	5.9
359.07559	26.3
359.22058	1.5
360.07880	1.4
371.16846	1.5
377.08588	19.0
377.22913	6.1
378.08713	1.3
423.95566	1.1
428.81259	1.0
477.28241	9.3
495.21716	2.1
521.27264	15.2
527.87262	1.1
539.11633	61.8
539.20502	11.1
539.28070	100.0
540.12030	4.9
540.28656	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	539.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58014	1.1
65.74135	0.9
71.40489	1.0
77.91439	1.0
79.05485	3.1
81.03414	1.4
85.02919	1.5
89.03905	3.4
91.05849	1.3
97.02865	1.5
107.04934	2.4
107.08628	1.0
109.02864	1.6
109.10178	1.2
111.04448	3.0
117.03370	3.8
131.04962	1.8
132.05203	1.1
135.04388	9.4
135.11746	2.2
136.11536	1.1
137.02267	1.2
139.03876	5.2
145.02846	6.6
147.04395	1.7
163.03903	22.0
164.04247	2.4
181.04901	2.2
191.03362	36.9
197.06020	1.2
201.03613	2.3
203.05258	1.6
209.04568	1.4
211.03900	1.1
214.02591	1.2
223.07623	1.7
225.05482	1.6
227.03346	2.4
228.04100	2.2
231.02979	1.4
238.02524	1.2
239.03365	2.4
242.05704	3.3
243.06523	1.9
251.07037	1.5
253.04997	2.4
255.02914	1.9
256.03723	2.1
257.04523	6.1
259.05972	1.7
269.07611	1.2
270.05084	1.8
271.05981	3.6
273.03976	3.5
281.04282	1.6
283.02374	1.5
284.03183	3.4
285.03888	8.8
285.07544	2.8
288.06140	3.3
291.15665	2.3
298.04770	1.6
299.05545	3.8
300.06271	12.2
301.06192	1.7
302.03934	2.1
313.06815	2.6
315.04965	2.0
316.05435	1.8
317.06445	7.9
318.56668	1.1
327.05002	1.4
330.07028	1.5
331.07986	6.8
335.07721	2.4
341.20963	1.9
346.12717	1.4
353.08612	5.9
359.07559	26.3
359.22058	1.5
360.07880	1.4
371.16846	1.5
377.08588	19.0
377.22913	6.1
378.08713	1.3
423.95566	1.1
428.81259	1.0
477.28241	9.3
495.21716	2.1
521.27264	15.2
527.87262	1.1
539.11633	61.8
539.20502	11.1
539.28070	100.0
540.12030	4.9
540.28656	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	539.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
55.17636	0.3
56.28354	0.3
67.05502	1.5
69.07053	1.2
79.05479	1.7
81.07057	1.6
83.08629	0.4
91.05465	1.5
93.07051	1.6
95.08593	1.3
96.16434	0.3
105.07007	1.4
107.08605	0.6
117.06974	0.9
119.08559	1.2
121.10172	0.5
129.07010	0.9
130.72260	0.4
131.08572	1.0
133.10092	1.0
134.93326	0.3
140.16196	0.3
143.08540	1.1
145.10124	0.9
147.11668	0.6
154.07693	0.4
155.08553	1.1
157.10201	0.5
159.11678	0.6
161.99286	0.3
167.08508	0.6
169.10094	1.1
171.11633	1.0
181.10072	0.6
183.11713	0.8
185.04269	0.6
185.13174	0.4
195.11687	0.8
197.13254	0.6
203.05237	0.7
209.13211	0.6
223.14648	0.4
249.76759	0.3
259.08157	0.4
300.06235	0.3
302.05676	0.3
328.62579	0.4
355.26611	0.3
447.32690	1.6
465.33722	0.8
521.36273	0.5
539.31696	100.0
540.32196	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	539.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
67.05509	0.7
69.21140	0.4
79.05502	0.6
94.48667	0.4
98.22659	0.8
98.23348	2.6
145.10104	0.5
185.04250	0.4
301.06216	0.5
332.14374	0.5
344.70819	0.4
447.32559	0.5
539.31854	100.0
540.32300	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	539.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05505	6.9
67.05492	4.0
69.07059	6.0
70.00104	0.8
71.08602	0.9
71.22199	1.2
79.05484	3.6
81.07054	8.2
83.04974	19.7
83.08593	2.2
85.06513	2.0
91.05451	7.9
93.07035	6.2
94.40790	0.9
95.08598	6.5
101.06040	1.2
105.07028	18.8
107.08593	10.1
109.10143	3.2
115.05442	1.1
117.07005	14.4
119.08570	13.0
121.10164	4.8
128.06168	1.1
129.06981	3.1
130.07777	6.5
131.08563	13.4
133.10139	5.8
135.11649	1.0
136.71190	0.8
143.06999	2.3
143.08524	4.6
144.09274	1.2
145.10115	85.6
146.10538	1.2
147.11649	1.4
157.10062	2.3
158.10896	1.8
159.11674	20.8
161.13239	6.9
163.11192	1.5
171.11632	1.0
173.13161	5.0
183.10126	1.8
186.14011	1.1
201.16364	100.0
202.16701	2.7
219.17410	6.2
263.33646	1.0
301.05933	1.0
314.07394	1.0
332.82285	1.2
363.75912	0.9
539.31250	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.05510	6.6
57.07075	1.2
67.05495	4.1
69.07062	5.7
71.43365	0.6
77.03897	0.7
79.05462	3.8
81.07047	5.2
83.04459	1.0
83.04967	20.7
83.08607	1.3
85.06532	2.1
89.06072	0.6
91.05453	8.9
91.30625	0.6
93.07041	6.4
95.04968	0.8
95.08596	6.6
101.06013	0.9
103.05472	1.0
105.07018	17.7
107.08588	8.2
109.10145	3.8
115.05421	1.2
117.07008	15.4
118.84731	0.7
119.08561	11.1
121.09031	0.4
121.09312	0.6
121.10120	4.0
123.11602	0.6
128.06183	1.3
129.06989	2.0
130.07782	6.3
131.08546	16.0
133.10114	6.5
135.11636	0.8
143.07022	2.5
143.08498	3.2
144.09314	1.9
145.10106	88.9
146.10521	1.2
149.13297	0.7
153.41730	0.6
157.10071	1.7
158.10861	1.3
159.11681	24.2
161.13251	6.0
163.11232	0.6
173.13274	5.6
175.14796	0.7
183.10121	2.1
186.14032	0.6
194.68428	0.5
199.14806	1.6
200.15138	0.8
200.37497	0.6
201.16359	100.0
202.16730	2.5
216.44238	0.6
219.17439	4.8
261.18475	0.7
379.24619	1.5
384.01428	0.6
539.30890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02364	0.5
66.99936	0.3
69.14565	2.1
78.19025	0.3
79.05476	1.3
89.03907	7.3
91.97228	0.3
95.04976	0.5
98.23450	0.5
100.11252	0.7
105.06972	0.3
107.04940	1.8
112.99139	0.3
117.03371	8.4
120.08050	0.4
135.04401	16.3
136.04741	0.7
137.02336	0.3
137.05980	0.3
139.03860	0.8
145.02827	11.6
146.03168	0.4
163.03886	100.0
164.04214	1.7
181.04933	0.6
240.63803	0.3
250.05751	0.6
280.06659	0.4
295.05969	0.4
296.06363	0.7
308.46487	0.3
313.14606	0.4
341.06354	0.4
358.57358	0.3
398.58981	0.4
539.41571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80789	0.4
57.04228	0.5
65.03935	0.7
67.05467	0.5
69.52065	0.6
69.52409	1.9
79.05475	1.1
81.03397	0.6
89.03886	1.4
91.05466	1.0
92.04973	0.6
93.07011	0.9
94.06550	1.5
95.04939	1.5
96.08105	2.1
107.04932	1.8
108.04477	1.1
108.08111	0.7
109.05236	1.5
110.03664	0.5
110.06046	1.5
110.09671	2.8
111.04420	0.8
111.10007	1.4
116.04946	0.7
117.03349	1.9
120.04436	1.0
120.08083	1.9
121.08429	1.0
122.06022	1.0
123.04424	0.8
124.03958	0.6
124.07584	8.3
125.05956	1.4
126.05474	0.7
133.02757	1.0
133.05171	0.5
134.06001	0.6
135.04427	3.7
136.07558	1.2
136.26753	0.5
137.05943	1.0
137.07837	0.5
138.05518	2.4
138.09109	3.9
139.03896	1.0
139.06253	1.4
139.09439	1.2
144.04388	0.9
145.02847	3.0
145.04839	0.5
147.04413	0.6
148.07587	0.6
152.07027	2.0
162.05438	0.7
163.03888	11.9
164.04184	0.6
166.05025	1.7
166.08635	5.5
167.05719	1.7
167.07654	0.6
167.08939	3.7
168.09251	1.1
172.03958	3.6
173.04259	2.1
174.04430	0.5
177.05394	1.2
180.06519	1.1
183.06767	0.5
184.07568	1.3
186.05464	0.5
187.06174	0.5
190.05003	1.3
190.08730	0.5
191.05301	0.8
196.07651	0.7
198.05540	0.7
198.09093	0.6
199.06174	0.9
200.07037	1.3
201.07784	0.6
202.05159	0.5
202.08626	1.5
204.06503	2.5
205.06927	1.7
208.06194	0.5
211.06258	0.6
212.07159	2.2
213.07861	1.2
214.04984	1.4
214.08565	1.9
215.05811	0.6
216.06529	0.9
216.10144	0.9
218.08038	1.5
225.09930	0.7
226.08458	0.7
228.06531	7.8
228.10121	1.2
229.07227	2.9
230.08063	3.1
231.05006	0.5
231.08801	0.9
232.06065	1.2
232.09671	1.2
237.10074	0.7
239.05786	1.4
239.11237	0.8
240.06557	1.6
241.07272	1.2
242.08148	3.9
243.08884	1.4
244.09764	1.6
245.06805	0.6
246.07608	3.2
250.05658	0.7
253.09468	0.6
254.04419	1.1
254.08124	0.9
256.06067	2.0
256.09595	1.0
257.06784	3.7
258.07553	3.2
260.09143	18.4
261.09738	1.0
265.09656	1.2
266.10007	1.0
267.05307	0.8
267.10400	1.0
268.06113	1.4
269.06812	1.4
270.07559	1.3
271.08380	1.5
272.09097	7.3
273.09726	1.0
274.07071	4.8
274.10684	2.4
279.07184	0.6
279.11124	0.6
280.11618	0.6
281.11612	0.7
282.07736	1.4
283.08292	0.8
284.05942	0.6
284.09003	1.0
285.06281	1.3
286.06906	0.6
288.08685	2.6
288.11801	0.6
289.05780	0.5
289.09308	2.2
290.10107	1.2
293.08994	0.7
294.09534	1.4
295.09781	0.9
296.05902	0.9
299.07855	1.6
300.08701	2.6
301.09372	0.8
302.06549	1.2
302.10196	2.1
303.11105	1.2
304.11768	13.2
310.07050	2.3
311.07755	3.0
313.06427	0.5
313.11255	0.6
314.06549	1.4
314.10184	1.0
316.11771	1.4
317.08957	1.8
318.09613	1.8
326.12039	0.7
327.12460	0.8
328.08121	6.4
329.08859	2.7
332.11252	100.0
333.11514	3.5
341.11127	0.6
342.11267	0.8
343.11874	1.1
353.11331	0.6
354.11649	1.5
355.11868	1.4
360.10724	31.2
361.11124	1.2
378.11807	6.5
462.19281	0.8
467.19528	1.2
480.19974	0.8
490.18817	1.8
507.19376	1.4
508.19983	4.8
540.14886	39.1
541.15131	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02373	0.5
65.03925	0.4
69.03415	1.1
70.07756	0.7
70.08085	0.5
79.05492	0.7
84.88139	0.3
85.02913	2.5
89.03904	6.1
91.05449	0.8
93.03382	0.8
97.02890	0.9
98.23425	0.3
99.04474	0.3
105.92085	0.3
107.04966	1.7
111.04436	2.6
117.03369	5.7
125.94836	0.3
127.03903	0.5
135.04399	15.0
139.03876	5.9
145.02827	10.4
160.20697	0.3
163.03883	100.0
164.04266	1.5
181.04947	3.9
207.99944	0.3
208.01854	0.3
209.26825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31250	0.6
54.44722	0.6
69.64362	1.2
69.64741	1.4
75.70411	0.6
79.05477	0.6
81.03422	1.9
85.02889	1.9
89.03910	3.9
91.05459	2.2
93.03343	1.0
107.04941	2.0
109.02911	0.6
111.04433	2.0
117.03349	5.3
119.04945	5.6
122.28358	0.6
135.04413	12.9
137.06010	0.7
139.03902	3.4
145.02835	8.4
146.37741	0.5
147.04395	39.3
155.82184	0.6
161.91013	0.6
163.03891	100.0
164.04218	1.3
165.05453	2.1
181.04886	3.3
237.22374	0.6
257.02664	0.6
291.08618	2.1
309.09680	2.7
437.19269	0.7
569.29224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11309	0.3
57.69864	0.3
59.95522	0.4
61.46480	0.3
63.02377	0.4
65.03910	0.4
79.05479	1.1
81.03394	0.5
85.02900	2.2
89.03903	3.9
91.05454	1.1
91.33826	0.3
93.03396	0.7
95.04965	0.5
97.02882	0.5
98.95654	0.4
106.04179	0.5
107.04961	2.1
111.04424	2.3
111.83875	0.3
117.03367	6.8
121.06465	0.5
129.06950	1.1
131.04916	0.5
131.08531	0.4
135.04407	14.8
137.05974	0.8
139.03903	5.4
141.06888	0.4
145.02834	10.3
149.05977	1.0
157.06502	0.8
159.08064	0.7
163.03888	100.0
164.04277	1.8
174.06758	0.7
175.07501	0.4
177.05447	0.6
181.04938	3.3
181.08533	0.4
189.09082	3.0
201.09047	1.0
209.08037	2.4
217.08614	0.4
219.10144	8.9
250.05768	0.9
278.05374	0.5
295.05942	0.7
296.06409	0.8
411.84995	0.4
541.18878	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	540.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01147	3.4
65.03938	0.5
68.13197	0.6
70.50482	0.6
75.02699	2.0
91.05454	0.9
97.02872	1.1
101.25443	0.6
103.02165	0.6
107.04955	0.9
111.04455	2.2
119.03547	0.7
123.04426	1.0
131.04909	0.5
135.04411	1.9
136.06174	100.0
137.06511	0.7
139.03883	2.4
140.04350	0.6
145.03148	1.5
162.05460	1.2
163.04074	2.4
179.03372	1.6
181.04939	9.3
182.05254	0.8
187.03951	0.6
199.06001	0.6
221.06020	1.1
222.06363	1.5
249.05408	0.8
250.05788	1.0
252.07341	0.7
268.06726	1.4
279.06760	0.5
280.06857	1.1
295.06061	0.7
296.06436	1.6
298.09702	20.9
301.24789	0.7
323.05417	0.9
324.05792	1.8
343.10132	1.3
456.66571	0.5
548.63037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17804	0.5
58.78134	0.5
63.02385	0.6
65.03942	0.7
69.03423	0.6
69.95766	1.5
70.06581	0.6
79.05499	0.5
81.03413	1.9
85.02901	1.9
89.03917	4.2
91.05471	4.0
93.03387	0.6
97.02899	0.7
107.04956	1.7
111.04430	1.5
117.03372	5.7
119.04938	11.4
135.04411	13.9
137.05869	1.1
139.03889	3.3
145.02823	9.2
147.04398	59.1
148.04706	1.1
163.03893	100.0
164.04271	1.7
165.05463	3.6
181.04955	2.4
291.08667	3.0
295.06122	0.8
296.06372	1.5
309.09634	3.2
383.74976	0.6
427.07227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17804	0.5
58.78134	0.5
63.02385	0.6
65.03942	0.7
69.03423	0.6
69.95766	1.5
70.06581	0.6
79.05499	0.5
81.03413	1.9
85.02901	1.9
89.03917	4.2
91.05471	4.0
93.03387	0.6
97.02899	0.7
107.04956	1.7
111.04430	1.5
117.03372	5.7
119.04938	11.4
135.04411	13.9
137.05869	1.1
139.03889	3.3
145.02823	9.2
147.04398	59.1
148.04706	1.1
163.03893	100.0
164.04271	1.7
165.05463	3.6
181.04955	2.4
291.08667	3.0
295.06122	0.8
296.06372	1.5
309.09634	3.2
383.74976	0.6
427.07227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79155	1.5
51.31239	2.0
53.03963	2.3
55.01867	14.3
56.89028	1.7
58.40752	1.5
63.54451	1.6
65.03935	4.6
67.05483	2.0
75.04494	2.0
78.04707	2.3
79.05498	4.3
79.53763	1.7
81.07072	2.1
87.00826	27.8
89.03918	5.1
91.05473	16.3
93.03398	10.8
93.07036	7.5
93.43299	1.7
95.04970	4.2
95.12061	1.7
99.04904	1.8
103.05461	16.0
105.04491	2.3
105.07047	12.1
106.04174	13.1
107.04953	11.3
111.04448	25.9
114.17831	1.9
115.05453	3.1
117.03374	3.6
118.04144	2.1
119.04936	3.1
121.06506	25.6
125.05983	2.6
131.04922	9.7
133.06465	8.7
134.03648	8.0
135.04416	29.3
137.06018	2.2
139.03893	40.0
145.02853	7.7
147.04402	3.5
148.05174	3.9
149.05974	43.9
150.06418	1.7
153.05458	5.4
153.09099	4.8
161.05998	15.9
163.03905	20.2
163.07591	5.7
164.04303	3.9
165.05415	1.8
176.04745	2.9
176.50655	1.8
177.05464	31.8
181.04962	27.9
181.08577	19.2
191.05191	2.7
191.07022	28.8
193.08594	12.3
207.06522	2.3
209.08087	100.0
210.75035	1.9
221.06004	3.8
236.04559	3.3
237.05435	36.6
249.05415	3.3
265.04974	41.6
266.05588	2.9
279.06564	5.5
295.08130	64.1
297.07611	2.7
307.06061	3.2
316.38696	1.7
325.07068	35.3
326.07578	2.5
332.11292	5.2
360.10699	2.4
427.08432	2.5
445.09048	3.1
496.22910	2.2
505.11209	4.9
540.14038	2.8
540.21234	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.0
65.49176	3.1
71.24941	2.9
73.49438	3.3
76.47441	3.4
77.82690	3.6
87.00812	19.2
89.03907	3.8
91.05470	15.2
93.07060	8.6
95.04964	7.1
97.06564	3.4
103.05466	10.9
105.07026	9.8
106.04183	8.3
107.04961	8.4
111.04433	4.5
117.03365	3.5
121.06499	23.9
124.07561	3.5
125.06007	3.4
131.04927	9.5
133.06535	4.2
134.03659	3.8
135.04431	10.5
139.03889	5.8
145.02849	7.6
148.05209	4.6
149.05969	40.1
161.05978	7.2
163.03920	27.0
163.07512	5.6
164.04254	9.6
177.05486	23.3
181.08632	17.7
191.07037	31.5
193.08627	5.6
209.08081	100.0
239.09439	3.5
250.06026	3.7
260.09113	6.1
295.08139	63.4
296.06229	4.1
304.11618	4.3
324.05939	4.1
332.11337	36.0
360.10492	17.4
452.06247	3.9
540.14508	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	540.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	15.1
69.03419	5.9
69.64678	13.4
71.04987	5.9
73.02890	10.3
75.04472	51.7
81.03330	5.4
83.04961	9.4
85.02884	38.4
91.05463	11.8
99.04465	5.1
101.06004	4.7
103.05483	5.4
107.04931	10.0
111.04429	10.5
112.56390	4.2
119.04955	40.3
127.03925	4.8
129.05489	6.8
129.95412	4.2
131.04924	14.9
135.04372	14.2
137.05965	75.7
139.03941	5.8
139.05443	4.7
145.04985	11.6
147.04395	86.5
147.06320	5.3
149.05963	6.8
151.07477	8.6
161.93729	4.7
163.03868	25.1
163.07516	19.5
167.07054	17.3
175.07449	5.9
177.05444	5.7
179.06998	100.0
181.08551	4.4
191.06970	12.7
199.27097	4.2
203.07065	12.1
221.08153	4.9
311.11020	7.4
325.12943	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	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94923	1.2
65.03937	1.8
69.03422	2.0
69.14498	4.4
69.14908	4.4
69.58181	1.4
71.04949	1.4
77.99963	1.3
85.02893	6.1
89.03918	1.5
91.05467	15.7
94.04192	1.8
95.04937	3.1
97.02873	2.4
103.05471	2.3
105.07038	2.1
107.04948	4.3
109.06516	1.6
111.04426	4.1
114.24076	1.2
115.35808	1.4
117.03400	1.5
119.04935	21.4
121.06512	3.7
122.03695	2.4
123.08122	1.3
129.07008	7.5
131.04907	3.9
133.06436	1.4
135.04382	4.7
135.08069	2.9
137.05962	51.9
137.07016	2.8
139.00824	1.3
139.03909	4.5
145.06418	1.7
147.04391	65.5
148.04677	1.7
149.05969	8.3
151.07529	58.7
157.06483	8.4
161.05983	4.7
161.09583	2.7
163.03889	27.0
163.07518	13.6
165.07005	2.2
165.09142	2.1
167.08537	5.0
174.06720	6.1
174.68190	1.4
175.07573	3.7
177.09174	2.4
181.04852	3.0
181.09962	1.4
189.09099	26.1
193.06487	3.8
193.10193	3.7
195.08029	10.9
201.09140	2.5
207.10161	3.8
211.07277	1.3
212.08240	2.2
219.10158	14.7
221.05995	3.6
221.09648	4.0
223.07558	5.9
224.08046	4.0
225.09096	4.3
227.10663	19.1
227.12839	2.2
237.09135	2.2
239.56154	1.3
240.08006	1.7
249.09146	2.9
251.07419	1.3
252.07448	1.5
253.08560	7.0
253.12164	9.2
255.10130	15.4
267.10062	3.1
269.08151	2.3
272.10339	2.6
278.05237	1.5
281.11676	3.0
285.11221	14.1
287.12735	36.4
287.15976	2.0
296.06238	1.7
299.12592	2.0
313.14285	37.3
313.17780	2.7
314.14691	1.5
315.00372	1.3
324.05759	1.8
331.15369	100.0
332.15686	2.4
540.21375	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	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90680	1.1
61.24792	1.1
65.03916	1.4
69.73699	4.1
70.38282	1.2
74.75548	1.1
81.07008	1.2
85.02895	2.3
90.68067	1.2
91.05480	3.2
92.58509	1.1
93.03396	1.4
103.05465	7.6
107.04937	2.5
111.04430	3.6
117.07032	2.2
119.04935	2.2
122.03662	2.0
131.04907	16.3
135.04431	3.4
135.07994	1.4
137.05959	24.6
139.03932	4.1
140.04247	2.1
149.06020	2.0
151.07521	14.1
161.06000	2.8
162.06725	2.6
163.03893	5.5
163.07515	38.1
167.08482	1.6
175.07570	4.3
177.09091	100.0
178.09410	1.9
181.04959	5.3
182.05347	1.8
189.09113	3.7
195.08080	1.6
195.10150	2.4
206.06844	1.7
221.06049	1.4
221.09694	2.5
221.11688	16.3
223.07532	3.6
224.07944	1.9
227.10640	4.7
250.05849	2.3
251.06978	3.9
252.07359	2.8
253.12254	1.5
253.56219	1.3
255.10205	1.9
265.08575	1.6
269.07993	2.2
278.05328	1.5
285.11188	2.1
287.12665	5.1
295.06186	1.2
311.12912	2.8
313.14221	5.0
331.15372	16.8
343.15253	1.6
393.89203	1.2
398.37595	1.3
501.58441	1.4
562.96686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98676	7.9
58.36402	7.2
69.70135	15.6
69.70498	28.0
88.84750	7.4
91.05499	22.9
95.04984	11.5
98.22749	15.1
99.04433	20.0
102.50294	7.6
103.05466	38.1
105.03455	10.4
105.07039	8.5
107.04958	33.4
111.04448	23.6
119.04958	8.9
123.04404	18.1
127.03916	31.1
131.04904	62.2
131.05649	6.3
135.04408	19.6
137.02373	8.6
137.05968	88.2
139.03917	32.5
140.04230	12.2
147.04448	14.2
151.07549	13.5
161.05980	55.5
163.03867	15.0
163.07530	55.4
165.07011	9.3
175.07561	66.4
179.13966	8.5
181.05020	20.5
189.09157	18.1
205.06549	15.9
207.10252	26.3
219.10161	95.5
221.06035	14.0
223.07538	31.1
224.07948	10.0
233.05945	31.2
233.09566	15.4
239.07095	13.9
248.71832	8.4
249.05428	23.2
250.05997	9.6
251.07063	29.7
252.07425	14.4
253.05003	14.3
255.10072	9.5
261.05597	8.4
265.08633	20.7
269.08176	16.0
279.06311	46.5
287.12683	10.9
293.11887	12.6
295.06134	23.1
296.06360	24.2
297.11148	39.7
299.12650	11.0
311.12799	100.0
313.07346	11.9
313.14349	13.6
323.05573	13.2
324.05795	25.5
325.14343	28.7
331.15250	22.3
341.06537	50.7
343.15396	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	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81276	9.0
55.05534	8.1
69.11749	51.2
81.17503	7.2
91.05464	18.0
95.04940	15.5
99.04472	15.9
100.11268	26.0
103.05468	30.3
107.04947	46.1
111.04449	23.6
112.04742	7.3
119.04961	9.7
122.03732	8.8
123.04424	23.2
127.03926	29.4
131.04921	53.7
135.04430	22.4
137.02333	8.9
137.05978	79.7
139.03894	21.7
145.25403	8.4
147.04370	13.2
148.56281	7.5
149.06052	10.3
151.07562	17.7
161.05984	56.3
162.06720	7.6
163.07521	62.3
165.87227	8.2
169.06461	8.4
170.15355	13.5
175.07547	63.6
177.09145	12.1
181.04965	15.6
189.09172	22.9
205.06473	15.8
207.10121	14.9
209.16457	10.2
219.10129	89.1
221.06082	12.7
223.07475	39.0
224.07961	8.5
233.05978	31.4
249.05507	13.9
250.05841	14.2
251.07068	41.8
252.07292	8.5
253.04930	14.8
265.08527	16.6
277.04822	9.6
277.37784	8.9
279.06540	35.2
283.54501	7.9
289.05405	8.6
293.11703	23.7
295.05945	33.3
297.07870	12.2
297.11224	30.8
311.12698	63.6
313.07404	8.4
313.14337	17.5
323.05685	19.6
324.05722	14.1
325.14368	22.8
331.15451	12.4
341.06448	41.2
343.15332	100.0
378.12619	8.0
540.44720	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.84831	0.3
56.28994	0.2
57.03429	0.4
58.84741	0.3
61.02930	0.3
64.88940	0.3
65.03937	2.0
67.05502	0.7
69.03423	4.4
69.07050	0.5
70.34351	0.7
71.04993	0.3
75.02364	0.4
79.05486	2.8
81.03409	4.4
81.07016	0.4
85.02396	0.5
85.02890	6.1
89.03885	1.0
91.05467	4.3
93.03387	1.5
93.07043	2.6
95.04955	0.6
95.08588	1.3
97.02879	6.7
99.04422	0.8
107.01301	0.7
107.04940	1.9
107.08591	2.1
108.54590	0.3
109.02873	2.6
109.10149	4.5
111.04405	1.3
117.03369	2.1
121.02870	0.4
122.39802	0.3
127.03029	0.5
127.03904	6.2
135.04416	2.2
135.11685	4.3
139.03870	0.8
145.02779	0.6
145.04933	1.9
149.03436	0.6
152.31557	0.3
153.12703	1.0
157.38153	0.3
163.03889	6.5
173.03500	0.9
178.02501	1.5
191.03354	100.0
192.03751	2.1
209.04422	2.1
224.75461	0.3
227.03253	0.3
227.05431	0.9
260.74759	0.3
300.06125	0.4
317.06430	1.1
335.07578	8.2
353.08627	16.2
354.08881	0.8
360.07761	0.9
378.08862	0.7
391.07788	0.4
478.28070	0.4
522.27124	0.7
536.25378	0.3
540.11932	2.2
540.20325	0.4
540.28632	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	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31828	36.4
69.32234	33.6
79.05451	22.5
82.19389	14.5
87.13589	12.6
90.84027	12.2
95.04955	20.0
99.04483	14.9
100.11235	38.1
103.05465	31.4
105.07007	16.8
107.04934	52.2
109.02789	13.2
111.04434	19.6
117.94429	13.1
118.78692	12.6
121.02852	18.2
127.03806	18.3
128.07027	16.8
131.04906	85.6
133.06516	27.0
135.04391	14.7
137.05957	78.3
139.03940	19.5
147.08212	12.7
149.05927	21.0
151.03889	23.6
152.86034	13.3
161.05972	72.4
161.09575	23.5
162.66360	12.1
163.03905	39.9
163.07550	57.7
164.04271	15.3
165.09050	14.7
182.15334	15.9
189.09047	97.1
207.10178	81.2
209.08215	17.6
233.08156	20.8
260.09021	20.4
291.12259	23.0
313.14078	21.9
331.15332	23.3
332.11322	100.0
360.10617	36.0
439.17404	28.6
540.14612	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	540.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	22.3
55.01867	4.8
55.05492	2.7
57.03423	3.5
60.65453	1.8
61.02918	3.5
64.85220	1.8
68.99779	3.9
69.03429	23.1
71.04980	8.5
73.02904	6.9
81.03410	55.9
83.04957	2.7
85.02409	3.9
85.02899	60.9
87.00300	1.5
87.00810	30.9
97.02882	44.2
99.04442	26.3
103.03954	11.9
105.01863	27.5
109.02866	84.7
126.89050	1.7
127.03903	100.0
129.01833	7.5
145.04936	28.9
147.02911	4.5
159.02901	17.7
163.05988	3.9
187.06081	5.7
195.05057	1.9
196.21568	1.8
206.29878	2.1
213.03906	18.9
231.04968	35.6
249.06056	8.8
264.01547	2.1
273.05884	4.7
291.06931	11.3
339.07227	3.0
357.07834	3.9
375.09109	9.6
393.10147	9.6
403.19803	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	540.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	18.4
55.01866	5.9
55.05511	2.1
57.03428	4.5
57.07076	4.6
60.25093	1.7
61.02917	5.3
68.99789	2.2
69.03423	29.2
69.34582	7.5
71.04985	7.3
71.08618	2.5
73.02915	5.3
79.05483	1.9
81.03406	46.5
81.03888	2.3
81.07030	2.3
83.04956	3.1
83.36250	1.9
85.02897	68.9
85.03417	3.3
87.00832	32.2
91.03923	2.8
91.05823	2.0
93.07117	2.6
97.02882	45.4
99.04448	26.2
103.03949	10.8
103.92777	2.2
105.01851	31.8
109.02871	84.3
111.04388	2.4
117.01854	3.6
127.03909	100.0
127.11192	1.8
129.01848	6.3
145.04938	27.9
147.02925	5.0
155.52567	2.0
159.02866	16.5
161.40170	1.8
163.03888	2.6
163.06039	5.2
169.05020	2.7
169.18819	2.3
187.05931	4.3
213.03879	21.5
231.04988	35.2
247.67314	2.2
249.05994	9.8
273.06134	6.8
291.07080	17.4
339.06882	3.1
357.08072	5.5
375.09164	9.2
393.10071	8.9
400.92474	1.9
403.19504	2.3
541.29565	4.1
545.95630	2.0
547.27026	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01852	4.8
55.05500	16.5
57.03435	5.5
67.05491	13.4
69.03445	5.0
69.85822	11.5
69.86148	4.2
71.04979	11.4
78.59412	4.5
79.05475	37.0
81.07040	14.1
83.04980	38.4
91.05472	68.8
93.07046	26.3
95.04966	52.9
95.08598	8.2
97.06509	10.8
101.06013	18.7
103.05473	6.5
105.07022	92.8
107.04943	33.3
107.08582	30.4
109.06513	63.7
115.05418	22.5
115.18658	4.1
116.06258	7.9
117.07000	85.1
119.04933	9.4
119.08589	30.0
121.06501	23.4
123.04414	9.0
123.08012	4.1
128.06223	30.2
129.06996	53.7
130.07761	16.7
131.08549	84.3
133.06465	18.9
133.10127	28.6
135.08034	41.1
137.05965	15.5
139.07526	4.2
141.06982	13.2
142.07764	27.7
143.08537	65.1
145.06474	38.8
145.10110	74.1
147.08020	26.1
147.11661	12.7
149.09586	7.8
151.02414	5.1
153.07048	5.7
155.08540	25.3
156.09325	23.6
157.10098	35.1
158.07243	7.7
159.08031	56.0
159.11691	14.7
160.08728	5.0
161.05980	7.4
161.09602	29.7
161.13274	7.8
163.07510	36.1
165.07054	6.2
166.07756	7.4
167.08574	9.2
169.10107	10.2
170.10916	5.9
171.08060	10.8
171.11673	49.0
173.09587	100.0
175.11127	29.4
175.14630	5.7
177.09113	15.1
181.08658	7.4
181.10135	15.7
183.08002	5.7
183.10123	5.9
184.08803	12.2
185.09555	13.2
185.13191	23.8
187.07487	30.2
187.11186	6.7
188.08365	6.4
189.09065	12.7
189.12701	16.0
191.10635	19.7
195.11745	6.6
199.11156	55.6
201.09097	7.6
203.10689	9.8
203.14287	17.0
205.08588	18.1
209.09639	7.0
213.12674	25.5
217.12181	28.4
219.10060	5.1
227.10577	30.9
231.13823	31.0
233.11685	6.8
235.13269	7.3
245.11728	65.6
249.14752	6.2
263.12704	43.4
323.14700	7.1
381.58191	5.1
429.22488	5.7
457.46371	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	540.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.0
67.05505	8.5
74.09723	5.7
79.05457	9.4
81.07040	15.4
85.02872	10.5
85.06542	6.3
91.05447	40.9
93.07034	21.5
95.04956	18.4
95.08604	9.7
95.13826	5.6
96.59709	5.8
98.22662	11.5
100.38335	5.4
103.05501	5.6
105.07021	64.1
107.08592	11.4
109.02882	7.4
110.10616	6.4
115.05457	10.5
117.06995	58.5
119.04955	6.8
119.08540	18.4
121.06489	9.6
127.03893	10.2
128.06204	21.5
129.07021	41.6
130.07780	12.9
131.08559	49.3
133.06427	8.0
133.10121	21.5
141.06871	6.5
142.07776	19.5
143.08543	40.9
145.06422	5.7
145.10115	73.1
147.07957	7.1
149.09521	11.3
155.08574	12.7
157.10112	26.5
159.11726	11.2
161.09605	18.1
169.10127	6.5
171.11656	10.8
173.09596	100.0
173.13354	7.1
175.11194	15.1
185.13188	19.8
191.10680	21.8
195.11647	9.5
203.14259	11.5
213.12720	23.3
231.13831	39.2
249.14801	6.7
335.81064	5.8
433.16614	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	540.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60099	5.5
55.05511	9.4
57.07059	12.1
57.75573	5.2
67.05499	7.5
70.06596	10.5
71.04967	6.1
79.05483	8.2
81.07049	7.5
83.04943	9.8
88.07640	17.0
89.06059	9.0
95.08627	9.5
102.09163	17.7
103.05453	14.1
105.07021	58.8
115.05432	12.5
131.08531	9.1
133.06473	47.1
144.20871	7.0
145.10129	22.0
146.10385	7.2
161.05972	100.0
171.08000	7.7
183.08063	9.2
193.08586	76.2
199.07584	9.5
202.16679	13.2
211.11263	7.3
217.41733	6.4
227.10680	26.7
229.12120	6.9
236.15294	6.0
256.26312	27.5
268.62299	6.9
311.29349	33.4
324.92743	8.6
337.27271	7.9
349.94794	6.1
540.53442	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05505	4.8
65.03930	3.8
67.05492	8.0
69.07064	2.7
71.04987	6.2
71.41513	1.7
79.05480	13.9
80.44048	1.7
81.07059	12.0
83.04971	9.5
85.06542	3.1
85.25117	1.5
91.05473	48.0
93.07040	16.7
95.04964	20.6
95.08600	5.4
97.06512	5.1
100.02740	1.6
103.05435	2.8
105.07020	64.3
107.04923	2.7
107.08588	11.3
109.06513	4.5
110.09724	1.5
110.36032	1.6
115.05439	12.7
115.29321	1.5
116.06238	4.3
117.07011	61.9
119.04942	3.9
119.08566	20.8
121.06490	8.2
121.10146	2.8
122.75288	1.5
123.08061	2.7
125.05799	1.5
128.06213	20.7
129.06984	41.6
130.07787	12.5
131.08556	41.4
133.06458	8.5
133.10117	22.3
134.26476	1.7
135.08046	4.8
141.06970	5.8
142.07777	12.8
143.08557	41.2
145.06479	5.4
145.10115	69.4
147.08034	10.7
147.11676	7.1
149.09615	4.4
151.07520	2.9
153.07028	3.3
154.07745	3.2
155.08549	17.5
156.09323	6.0
157.10110	29.1
158.07320	2.7
159.08080	4.3
159.11713	11.1
161.09613	17.9
161.13176	4.6
163.11130	3.4
165.06985	3.2
165.56985	1.5
168.63916	1.9
169.10104	5.2
170.10881	2.1
171.08047	4.1
171.11679	14.0
172.08830	2.1
173.09610	100.0
173.13141	2.9
175.11203	11.3
175.14830	1.9
177.09065	1.9
180.09392	2.3
185.13235	26.8
187.11238	5.1
189.12733	5.7
191.10632	20.9
195.11685	4.2
199.83521	1.6
203.14236	15.2
213.12741	19.6
231.13779	34.6
233.11726	6.5
249.14882	6.9
309.16928	1.6
322.20026	5.8
340.21021	2.2
447.87558	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75849	4.6
55.05501	10.5
63.92908	4.4
67.05494	9.6
70.79651	4.4
79.05484	10.2
81.07037	16.8
83.04981	13.2
85.06477	4.7
91.05444	36.3
93.07051	16.9
95.04974	24.1
95.08584	8.5
97.06525	5.8
103.05472	6.7
103.22828	5.2
105.07013	72.6
107.08579	10.8
109.06551	8.5
115.05473	6.1
117.06999	65.8
119.08578	16.2
121.06549	7.2
123.18857	5.8
128.06230	14.0
129.06982	36.5
130.07799	13.7
131.08560	50.9
133.06512	8.4
133.10086	26.5
135.08028	7.8
142.07823	13.2
143.08542	49.0
145.06476	8.0
145.10097	73.4
147.08034	10.2
147.11755	5.8
148.49934	4.8
149.09628	8.1
155.08513	24.5
156.09312	6.2
157.10101	24.2
158.07211	6.7
159.08118	7.0
159.11714	9.5
161.09573	15.6
169.10138	10.6
171.11659	19.8
173.09602	100.0
175.11151	12.9
185.13235	34.6
187.11110	6.8
189.12827	5.6
191.10710	17.0
195.11755	15.1
203.14337	23.9
213.12738	31.7
231.13744	55.2
247.13268	6.4
273.24557	5.8
292.90894	5.2
311.29227	5.3
416.93146	5.0
542.61035	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	540.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22387	0.9
55.05501	4.5
56.94655	0.8
57.03425	4.8
57.07034	1.1
58.86842	1.0
65.03944	1.7
67.05489	4.0
69.03422	2.6
69.07056	1.8
69.20642	5.7
71.04983	3.8
75.72028	0.9
79.05485	6.6
80.59404	0.9
81.07053	6.5
83.04968	9.9
85.06551	1.2
87.04451	1.6
91.05464	16.7
93.07045	14.8
94.06571	1.3
95.04957	58.1
95.08604	3.7
97.06530	3.6
101.05978	1.4
103.05479	1.4
105.07016	39.0
106.80118	0.9
107.08574	16.1
109.06507	8.4
109.10121	1.2
111.04441	1.4
113.06006	1.4
115.05448	2.9
115.41663	0.8
116.06246	1.7
117.07005	15.7
119.08565	18.9
121.06495	6.4
121.10130	9.9
123.08060	3.5
125.06012	1.7
128.06197	3.6
129.06998	6.8
130.07767	10.6
131.08545	18.0
133.06494	16.5
133.10112	10.8
135.08029	6.3
135.11696	3.5
137.06026	1.5
137.09595	2.6
141.06978	2.0
142.07724	5.1
143.08554	13.1
145.10106	100.0
146.10451	1.3
147.08067	7.5
147.11682	8.4
149.09595	7.9
151.07518	2.3
155.08557	5.6
156.09302	4.4
157.10112	12.6
158.07277	2.9
159.08092	2.7
159.11667	3.5
161.09612	7.8
161.13272	3.8
163.11192	8.3
165.07027	1.2
165.09160	1.2
170.10930	2.7
171.11699	4.1
172.08836	1.2
173.09598	26.7
175.11186	3.6
175.14795	7.9
179.10680	1.3
180.09436	1.2
183.10147	1.9
185.13228	11.7
187.11154	3.0
189.12698	6.8
191.10635	18.5
193.12265	1.0
195.11674	3.4
203.14288	18.9
203.16020	1.6
204.14781	1.1
207.10147	2.0
213.12703	11.9
215.67459	0.9
219.86386	1.3
221.15324	2.3
221.33328	1.0
231.11485	1.9
231.13776	39.8
249.14832	10.4
472.98935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53637	0.9
53.03938	0.9
55.01865	1.4
55.05500	5.7
56.67165	0.9
57.03424	2.1
59.04990	0.9
65.03928	1.9
67.05489	4.9
69.03416	4.4
69.07050	2.5
70.22692	2.0
71.04993	4.7
77.03920	1.7
79.05478	9.5
81.03434	0.9
81.07055	9.9
83.04980	11.0
85.06532	2.7
87.04455	1.4
91.05473	20.0
93.07037	22.0
93.32352	0.9
95.04959	100.0
95.08611	7.6
96.05260	1.3
97.06512	4.5
99.08036	1.1
101.05997	2.7
103.05457	3.2
105.04513	0.9
105.07019	55.8
107.04940	2.7
107.07916	1.7
107.08587	19.1
107.09262	1.9
108.08104	3.7
109.06508	14.6
109.10136	1.5
110.09691	0.9
111.08068	1.4
112.78324	0.9
115.05444	3.5
116.06226	2.5
117.07004	22.4
119.04935	1.6
119.05929	0.9
119.08566	27.5
121.06480	10.5
121.10127	13.9
123.04387	1.2
123.08053	6.3
125.05951	1.7
127.52028	0.9
128.06194	6.8
129.07002	11.2
130.07790	11.1
131.08554	28.3
133.06477	32.0
133.07478	2.0
133.10110	18.7
135.08044	10.3
135.11688	4.8
137.05988	2.2
137.09586	5.5
141.06978	3.9
142.07745	6.0
143.08548	14.6
144.09251	1.0
145.06416	2.0
145.10107	96.5
146.10493	2.1
147.08038	10.7
147.11652	10.7
149.09612	11.4
151.07520	4.6
153.06950	1.1
153.09084	1.3
155.08548	7.5
156.09326	4.1
157.10109	16.3
158.07280	3.1
159.08040	3.4
159.11681	8.2
161.05928	2.0
161.09608	9.8
161.13229	6.2
163.03947	1.1
163.11151	15.9
165.07112	1.2
165.09071	3.0
167.10582	0.9
169.10071	1.9
170.10847	2.6
171.08022	2.1
171.11664	8.6
173.09596	38.9
175.11186	6.7
175.14806	7.9
179.10637	2.4
180.09331	1.5
185.13226	17.0
185.96252	0.9
187.11176	2.2
189.09097	2.0
189.12759	13.0
191.10641	35.1
193.12201	1.9
195.11711	3.6
198.10333	1.6
201.12848	1.3
203.14307	20.6
205.12273	3.1
207.10156	4.9
207.13835	1.8
209.11707	2.9
213.12724	14.8
221.15341	3.8
231.13782	53.7
233.11829	1.6
244.16949	1.2
249.14813	22.0
251.12808	3.5
262.17990	2.6
273.14905	1.6
280.19211	1.3
291.15717	1.0
322.20062	2.5
379.67194	0.9
556.57324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93204	0.7
53.03940	0.9
53.30222	0.7
55.05511	5.1
57.07071	16.0
58.06578	0.9
67.05500	15.4
69.07066	5.4
69.87762	2.3
70.06590	12.8
71.04971	0.7
71.08620	7.9
71.60482	0.8
73.02905	1.3
75.87129	0.8
79.05479	16.6
81.03407	1.2
81.07050	14.7
83.04971	2.3
83.08621	3.4
85.10181	3.6
88.07615	16.6
91.05472	11.6
93.07040	14.0
95.04944	4.8
95.08595	10.2
97.06505	1.4
97.10168	1.6
102.09171	11.2
105.04524	1.7
105.07013	7.1
107.04971	1.3
107.08558	4.0
109.10171	2.4
113.55615	0.9
117.07013	1.8
119.08555	4.7
121.10152	4.1
123.08101	1.1
129.07005	3.0
131.08577	2.5
133.10139	1.7
143.08545	1.5
145.10141	2.3
147.11646	5.4
159.11719	1.1
161.13271	2.7
171.11664	4.2
189.12666	1.6
207.13770	4.7
215.43492	0.7
241.30756	0.7
256.26331	33.0
257.26794	1.3
261.22241	0.8
274.27353	3.8
283.26248	10.6
283.29147	1.0
284.29453	9.7
302.30566	0.9
311.29410	37.7
342.37195	0.8
540.53467	100.0
541.38739	12.6
541.53253	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	540.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	6.8
58.01674	0.5
66.53542	0.5
71.41788	0.5
71.95255	0.7
78.11887	0.5
98.97575	66.0
101.43270	0.5
113.42863	0.5
116.98614	44.2
134.99651	16.6
137.05930	0.8
153.00699	1.9
172.94325	3.1
177.00874	2.1
190.95409	3.2
201.00966	3.2
213.00891	0.9
214.95384	2.1
215.02348	1.2
216.98657	1.0
219.01976	7.5
227.02577	1.1
231.02000	1.9
232.96460	7.2
234.99713	0.8
240.98701	0.9
243.02007	4.2
245.03632	0.6
250.97496	3.5
255.02023	6.6
256.96356	15.4
258.99731	7.6
259.99902	0.7
261.03046	3.1
267.02078	0.8
273.03000	5.7
274.97485	100.0
275.97894	1.9
277.00778	9.6
278.00891	0.8
285.03098	3.0
292.98547	62.7
293.98813	1.0
297.99091	1.3
298.97757	1.3
301.00925	1.0
303.04053	1.3
304.02777	1.6
310.03772	1.3
314.95465	0.9
316.98853	2.0
317.03244	0.7
319.05106	2.3
322.03830	1.6
335.04526	0.8
337.06140	2.0
345.05478	0.7
361.05884	0.9
364.04553	0.9
379.07306	0.8
383.00159	0.7
391.07190	1.9
398.92313	1.0
398.97565	20.0
399.97778	0.8
401.01053	2.4
409.07938	1.0
416.98648	45.5
417.98987	3.8
419.05222	0.7
421.08447	1.1
433.08389	1.2
434.99756	7.7
436.00208	0.8
437.05865	1.0
440.00272	1.2
451.09494	3.2
456.96393	1.3
463.09134	1.9
479.06735	0.8
481.10422	7.5
482.10568	0.7
498.97995	0.7
499.11316	2.1
540.98706	9.8
541.11230	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	541.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01025	0.6
57.65344	0.6
63.75011	0.7
65.03931	1.0
70.06578	0.9
82.48339	0.6
86.09795	0.7
89.00903	0.8
111.04399	1.6
131.04977	0.9
135.04391	2.1
139.03914	2.2
143.01051	0.6
147.04533	0.8
162.86229	0.6
163.03908	2.1
164.04219	0.9
181.04962	1.2
182.05414	0.7
189.07307	2.3
221.05922	1.2
249.05484	1.0
250.05869	0.8
253.94452	0.7
295.05936	1.0
297.06693	1.4
298.07684	0.7
324.05914	0.9
325.06073	1.6
379.10013	2.7
484.93839	0.7
497.15872	1.1
541.15265	100.0
542.15369	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	541.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99999	0.6
69.24991	4.3
70.06625	0.9
72.56454	0.7
78.12655	0.7
78.99621	0.7
111.04409	1.0
121.06434	0.8
149.21927	0.7
181.05043	0.9
190.42273	0.7
263.01184	0.9
264.98804	0.9
297.07184	1.1
305.01959	1.0
313.03711	0.8
331.03601	0.8
332.89264	0.8
359.09689	1.8
365.11728	1.6
379.06058	1.1
403.08276	2.2
428.12418	0.8
455.15210	4.6
497.16238	44.9
498.16455	1.7
541.15137	100.0
542.15125	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	541.1894
Annotation	IRIGENIN, DIBENZYL ETHER
Peak:m/z	Relative Intensity
51.77813	0.3
64.27374	0.3
69.03441	0.4
76.73950	0.3
90.86568	0.3
91.05499	0.3
98.22598	0.7
119.04905	0.3
128.02986	0.3
134.28735	0.3
135.04425	0.5
163.03900	1.5
164.04181	0.5
167.85443	0.3
181.04994	0.9
226.48712	0.3
229.19409	0.4
260.01022	0.3
311.26465	0.3
353.12091	3.6
481.17105	0.6
541.18872	100.0
542.19189	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	541.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24207	0.4
52.34484	0.4
54.80974	0.4
69.23049	0.8
69.23454	1.6
70.06583	0.5
85.02908	0.6
135.04381	0.9
145.02867	0.6
163.03865	5.3
164.04210	3.2
181.04948	0.5
353.11960	2.7
416.70538	0.4
481.16751	1.2
541.18860	100.0
542.19250	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	541.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
57.07073	5.4
57.41414	0.9
67.05473	1.0
69.07068	1.5
70.06584	6.7
71.08623	3.2
75.83495	0.8
76.54295	0.9
79.05481	1.8
81.07040	1.7
81.20119	0.8
83.08602	0.9
85.10168	1.9
85.35034	0.9
88.07626	9.1
89.06018	1.4
89.07955	1.0
91.05436	1.7
94.59230	0.8
95.08578	1.2
98.23501	1.9
102.09189	5.5
105.07003	2.4
107.08626	1.9
109.06555	1.1
117.06992	2.1
121.06434	1.2
135.08075	4.1
140.98886	0.8
143.04935	1.0
143.08551	1.1
145.06470	9.5
155.08495	1.8
159.08049	1.3
161.06033	3.5
163.07558	4.4
164.62892	0.8
165.06953	0.9
166.07713	1.0
167.08522	1.6
168.09357	1.1
169.10150	1.2
171.08269	0.9
173.05959	1.2
174.06662	1.0
175.07510	1.6
178.07927	1.0
179.07057	1.0
179.08589	2.7
181.10107	1.2
183.08067	2.0
183.11655	1.8
185.09639	2.6
187.11220	1.4
189.05412	1.5
191.07016	17.5
191.08615	1.5
193.10129	2.4
195.08014	2.9
197.06210	0.9
197.09654	1.9
199.11180	1.2
201.12793	3.6
203.06961	1.6
203.08620	1.4
203.99521	0.8
205.10133	1.0
205.12257	1.8
206.07277	1.0
206.10919	3.3
207.08075	3.7
209.09506	2.1
211.07675	1.2
211.11252	1.6
213.05328	1.0
213.12711	2.7
214.09651	1.5
215.10654	1.5
217.12126	1.5
218.10994	0.8
219.07991	3.2
219.11748	1.4
220.08771	2.4
221.09428	2.0
221.13266	2.4
222.06740	1.0
222.10313	1.8
223.07545	2.2
225.09012	0.9
225.12645	0.9
227.14207	0.9
229.12199	12.7
231.11923	1.3
233.09534	1.7
234.10381	3.4
235.07489	7.0
236.08310	2.2
237.09108	1.6
237.12633	2.1
239.07027	0.9
240.07796	1.7
241.12233	1.8
246.10371	2.8
247.07562	1.2
247.11099	1.4
247.13341	4.6
248.08383	2.3
249.08992	1.9
249.10101	1.0
249.12737	17.1
250.09854	2.4
251.07144	1.5
251.14108	1.1
252.07785	8.4
253.08562	2.8
254.09294	1.9
256.26321	12.4
257.26733	1.8
259.11008	0.9
260.08176	0.9
261.12753	3.9
262.09857	6.4
263.10776	1.3
264.07837	7.0
264.10684	0.9
264.11105	0.7
265.08618	7.9
265.12045	4.9
266.09421	6.2
267.13925	1.4
268.10916	1.1
274.09918	5.3
274.27521	1.5
275.10443	1.8
277.08862	3.3
277.12186	28.2
278.09430	3.7
278.12561	1.2
279.10175	2.8
279.13696	1.5
280.10938	7.1
281.15155	1.3
283.13245	11.2
283.26221	4.5
284.29559	2.5
289.12259	3.9
291.13748	1.8
292.10889	7.0
293.11725	8.2
293.15359	3.0
295.13263	85.2
296.13712	3.8
303.13843	1.1
307.13242	100.0
308.13849	7.3
309.14771	7.4
310.15143	1.4
311.12772	1.2
311.29410	11.2
312.29709	2.9
321.14786	2.1
407.16321	1.0
421.18176	1.5
449.17331	0.9
466.46231	0.9
467.18326	2.0
477.24323	2.7
495.25021	4.2
505.23544	6.6
513.26678	1.0
523.24731	17.9
540.53461	23.9
540.61212	1.7
541.25775	39.3
541.53790	14.7
542.26123	2.8
567.22162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41714	6.0
53.03964	8.3
55.01883	9.9
55.05511	15.9
67.05492	21.5
69.03416	23.5
69.07047	11.5
70.03889	20.8
71.66883	6.2
73.61295	6.6
77.11447	5.8
79.05494	13.9
81.03415	18.1
81.07034	31.7
83.04987	21.2
83.72746	6.1
85.02895	33.3
85.06540	24.5
87.00807	16.5
89.03926	8.1
91.05467	20.2
93.07033	34.9
95.04958	16.8
95.08609	23.7
97.02885	12.7
99.04465	8.2
99.08054	8.2
105.01874	10.1
105.07024	16.1
107.08610	29.6
109.02899	11.9
109.10136	18.7
111.04426	6.5
111.08067	18.8
113.09672	10.7
114.41817	6.8
117.07016	8.8
119.08591	26.3
121.06520	15.1
121.10126	45.9
123.04428	24.1
123.11665	7.2
125.09628	21.2
127.03953	26.1
128.69478	7.2
131.08571	14.2
133.10144	24.1
135.04413	14.6
135.08089	15.0
135.11729	11.3
137.09583	19.6
138.16980	7.4
139.11171	9.6
143.08624	8.6
145.10184	15.5
147.08072	13.0
147.11670	8.5
149.09601	34.4
149.13239	7.6
151.11172	12.4
153.09099	14.4
157.10115	9.2
159.11681	13.5
161.09671	11.2
163.03831	41.1
163.11189	11.8
165.09137	7.2
167.10660	7.8
170.59077	7.5
173.13261	24.3
177.12727	11.8
179.10605	16.6
181.04897	9.4
187.14847	19.3
189.12799	11.1
191.14314	17.9
201.12724	14.2
207.13785	9.4
257.18942	21.5
275.20026	96.7
293.21054	100.0
305.03244	6.4
317.00732	6.7
378.20212	6.9
461.61795	8.1
541.20428	56.4
541.28247	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	541.2985
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
51.68936	0.7
52.03214	0.7
52.61971	0.6
67.05441	0.8
69.03371	1.4
79.05429	0.6
81.03364	1.6
81.34450	0.6
85.02899	3.2
87.00758	1.3
95.04910	0.7
95.08529	1.1
97.02816	1.2
97.57404	0.6
105.01820	1.4
105.06968	0.7
109.02818	1.1
109.10043	0.8
127.03899	3.8
139.11078	0.9
145.04822	1.7
147.04404	0.9
153.81642	0.6
163.03775	2.0
189.12656	0.7
201.27867	0.7
289.30057	0.6
293.20935	0.9
312.74399	0.7
361.23438	0.7
379.24518	100.0
380.25079	3.5
448.74805	0.6
509.21240	0.6
541.22699	3.0
541.29877	76.6
542.30273	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	541.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	3.5
69.07043	1.1
69.29105	2.7
69.29506	1.6
70.06581	3.0
71.08630	2.3
75.75735	0.7
78.22374	0.7
78.75919	0.7
83.08597	1.2
85.10155	1.0
88.07636	4.8
90.71796	0.7
97.77988	0.7
98.22652	1.3
102.09162	4.2
118.19878	0.7
217.87473	0.8
256.26331	7.1
257.26749	2.3
283.26404	1.8
284.29559	1.4
301.15884	0.8
311.29391	9.0
312.29837	2.8
325.73068	0.8
388.99835	0.8
540.53558	12.9
541.33447	100.0
541.53809	12.7
542.33685	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	541.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.7
53.03929	6.6
55.01853	3.6
55.05505	28.0
57.03430	3.5
57.07073	11.9
57.89706	1.2
58.07413	1.3
60.66051	1.3
65.03938	7.3
67.05496	94.9
69.03419	1.7
69.07065	20.5
70.06581	7.9
71.04988	4.0
71.08631	5.1
73.02934	1.8
73.06539	2.3
77.03935	2.5
79.05483	100.0
81.03412	8.6
81.07048	73.5
83.04971	9.9
83.08609	10.2
85.06534	3.6
85.10172	3.2
88.07612	12.3
89.07998	1.3
91.05468	80.7
93.07033	98.4
95.04343	1.9
95.04956	32.3
95.08592	51.0
96.08939	1.4
97.06534	4.9
97.10167	6.7
98.23508	2.4
99.08116	1.5
102.09166	7.6
105.04494	9.0
105.07017	50.8
107.04932	7.1
107.08582	38.2
107.76115	1.2
109.06520	5.4
109.10136	15.2
111.08029	1.9
113.09630	1.5
115.05438	3.6
117.06994	13.2
119.08571	35.5
121.06508	3.1
121.10139	25.8
121.10983	2.1
123.08082	7.4
123.11703	2.5
125.09650	1.7
127.07560	1.7
128.06194	4.3
129.06999	15.4
131.08556	11.3
133.10107	18.5
135.11667	13.5
137.09650	2.1
142.07784	1.6
143.08514	10.4
145.10110	16.8
147.08052	2.2
147.11665	37.2
149.13249	5.2
155.08542	2.2
157.10091	2.2
159.11664	7.2
161.09630	4.5
161.13240	16.4
169.10132	2.9
171.11679	31.1
173.13295	3.7
181.10133	1.9
183.11691	1.8
187.14838	2.4
189.12724	11.2
197.13158	2.2
199.14876	1.7
207.13768	27.4
207.15549	1.9
223.14825	1.8
225.14842	2.1
256.26318	18.4
257.26663	9.8
261.22168	6.5
274.27432	1.9
281.17334	2.0
283.26511	4.6
284.26578	3.3
284.29489	5.0
285.29816	3.8
311.29352	18.4
312.29831	12.4
317.24744	1.5
357.07025	1.3
449.33896	2.9
472.46552	1.4
523.38434	2.0
540.53406	18.7
541.38873	82.7
541.53595	46.0
542.39172	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	542.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80840	0.3
51.22129	0.3
53.03930	0.7
65.03943	2.9
67.05505	1.7
69.03422	1.4
69.07031	0.3
69.92490	1.1
81.03415	3.9
82.04196	1.1
84.93091	0.3
85.02898	3.5
89.97726	0.3
93.03401	0.8
95.04953	2.0
97.02878	1.2
97.06524	1.0
99.07540	0.3
108.02090	0.7
109.02876	1.5
110.03664	1.7
111.04433	1.1
118.91142	0.3
123.04417	1.3
125.05973	0.9
127.03922	0.4
138.03059	0.9
140.04691	5.8
145.04918	0.4
153.05447	2.9
155.07011	2.9
159.86130	0.4
163.03960	0.4
171.06523	4.2
181.04948	100.0
182.05330	1.6
199.06001	7.2
215.41052	0.3
312.46912	0.4
325.09152	5.8
343.10184	7.2
344.10413	0.4
457.81418	0.4
502.71118	0.4
542.19281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01844	0.5
55.05510	29.8
57.03438	1.7
59.04994	0.7
69.03426	5.3
71.04993	13.5
73.02905	0.6
73.06558	1.7
79.05475	0.5
81.03415	12.2
83.04978	100.0
84.05295	0.6
85.02905	5.7
87.04470	0.5
91.05472	2.5
91.53148	0.5
97.02891	9.9
99.04453	76.0
100.04796	0.7
101.06015	17.9
105.06989	0.9
109.02875	11.3
111.04460	0.9
115.05452	0.5
115.67261	0.4
117.05488	2.7
119.04961	4.4
119.07072	1.1
123.04424	0.7
125.02340	1.9
127.03912	11.5
133.06454	0.9
137.05956	0.8
138.66357	0.5
143.07048	0.8
145.04958	6.7
145.42128	0.5
147.04398	25.4
161.05952	1.5
165.05481	1.2
172.25743	0.5
173.36200	0.5
179.06985	1.5
181.08589	10.0
185.06056	0.7
185.07939	0.5
189.05449	1.7
199.09651	15.5
207.06487	4.2
209.08098	3.9
215.09126	0.7
217.10675	2.7
227.09143	11.2
240.81425	0.5
243.08577	1.8
245.08160	0.9
245.10213	20.9
261.09637	1.4
293.17264	3.5
294.17505	5.4
307.11835	1.2
325.12811	14.0
325.16632	0.7
343.13739	1.7
456.22757	1.2
498.24072	3.7
524.21411	0.9
525.38690	0.6
542.22809	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	542.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.05507	36.1
57.03440	3.0
59.04984	0.5
67.05506	0.9
69.03428	5.0
69.09403	4.0
71.04990	16.0
73.06544	1.7
79.05515	0.7
81.02955	1.2
81.03407	15.5
81.07045	0.7
83.04974	100.0
84.05305	1.3
85.02891	6.6
86.09686	0.8
87.04434	0.7
91.05465	3.2
95.04969	0.9
97.02884	11.8
98.23452	1.3
99.04448	78.8
101.06013	16.2
105.07023	1.5
105.18887	0.6
109.02177	1.2
109.02875	14.8
109.06532	0.8
111.04439	0.8
113.67133	0.6
117.05483	2.6
119.04947	5.6
123.04483	0.9
125.02312	1.1
127.03899	12.9
130.73216	0.7
137.06013	0.7
143.07025	0.8
145.04935	7.5
147.04395	27.4
149.06058	0.7
151.07494	0.6
152.95062	0.6
161.05925	1.8
163.03928	1.3
165.05499	1.0
179.07092	1.5
181.08556	11.6
185.06052	1.2
189.05400	2.0
199.07822	1.1
199.09639	16.5
201.07565	1.1
207.06465	4.3
209.08066	4.5
217.10674	2.6
225.07585	1.4
227.09119	10.7
243.08511	1.4
245.10201	23.4
255.06441	0.8
261.09674	1.8
290.08578	0.6
290.11929	0.6
293.17255	3.6
294.17563	3.6
307.11633	1.4
325.09198	1.1
325.12784	14.2
343.13843	1.7
456.22971	1.3
498.23874	4.1
524.21210	1.9
542.22797	12.5
543.21478	2.5
569.06000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
54.20964	0.7
55.01863	3.1
55.05497	1.6
57.03431	8.6
61.02930	3.6
62.48269	0.6
65.03921	0.8
67.05492	2.3
68.99781	2.0
69.03424	19.8
69.24775	3.7
70.06580	1.0
71.01353	1.8
71.04971	2.0
71.08626	21.6
73.02911	10.3
79.05464	1.1
81.03413	12.6
83.04965	2.1
85.02900	39.0
87.00825	16.0
87.01328	1.4
95.04952	1.7
97.02886	24.1
99.04441	6.7
99.08084	28.5
103.03937	3.6
104.90627	0.8
105.01855	21.7
109.02869	18.6
109.10153	1.0
109.96150	0.7
111.04424	2.7
113.02294	0.7
115.03928	2.8
117.01849	1.5
123.04463	1.7
125.02328	2.2
127.03902	37.3
127.11182	31.2
129.01865	3.8
129.05440	0.8
135.04396	1.5
137.02298	0.7
139.03889	1.8
145.04953	7.9
145.12222	100.0
146.12582	1.5
147.02911	1.1
151.03905	2.0
159.02893	4.0
163.03886	1.1
169.04950	0.9
171.02870	1.2
177.05441	0.8
181.04951	2.9
189.03931	5.6
193.04910	0.8
199.06047	1.5
205.04886	1.1
213.03876	6.6
223.06013	1.9
231.04997	11.9
241.07005	2.7
249.06061	4.3
273.05988	4.0
327.07056	1.0
339.14471	1.1
345.08292	0.9
357.15723	1.0
359.07657	0.7
375.16406	1.3
389.77646	0.9
552.82611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68166	4.3
52.84767	4.8
55.05496	9.3
57.03434	6.0
62.81227	4.4
67.05480	11.5
69.03414	13.4
69.07058	6.2
69.74391	14.0
69.74770	8.8
79.05488	15.4
81.03410	10.7
81.07044	12.1
83.04964	20.8
85.02893	16.0
87.00830	7.3
87.04479	4.4
91.05479	34.5
93.07036	16.9
95.04973	17.2
95.08593	12.7
97.06530	5.6
98.22721	6.3
103.05466	4.9
105.01823	6.9
105.07016	62.7
107.08592	10.0
109.02895	5.9
115.05464	6.0
116.55841	4.6
117.07021	44.4
119.08582	19.0
127.03889	14.8
128.06229	14.7
129.06981	39.2
130.07762	13.7
131.08572	37.5
133.06425	7.2
133.10141	16.4
135.07994	7.8
137.09599	4.6
140.02672	5.3
141.06935	6.1
142.07745	9.2
143.08559	44.3
144.09367	5.4
145.04919	8.1
145.06485	5.2
145.10110	100.0
147.08051	8.3
147.11731	5.1
149.02370	5.7
149.09554	7.1
155.08549	22.4
156.09331	7.1
157.10121	27.4
159.08130	5.9
159.11684	12.6
161.09583	20.0
163.03963	5.3
165.06931	8.0
171.11612	8.1
173.09615	70.9
175.11194	8.2
175.14780	7.1
180.09247	7.0
185.13208	38.0
189.12746	5.5
191.10654	9.1
195.11687	13.6
199.09618	12.8
201.12744	8.0
203.14319	19.9
213.12755	33.8
231.13783	63.9
249.14865	9.1
269.75299	4.9
339.84286	4.5
377.61700	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	542.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83233	1.4
53.03940	2.7
55.01867	3.3
55.05504	8.7
57.03426	3.2
57.07062	1.9
60.18695	1.3
65.03925	2.2
67.05498	9.5
69.03426	4.4
69.07056	2.9
69.27773	6.7
71.04969	4.6
77.03912	2.5
79.05488	15.3
81.03423	1.9
81.07047	13.9
83.04966	10.6
83.08611	1.9
85.02897	4.2
85.06521	5.6
87.00817	1.6
91.05472	45.7
93.07039	16.7
95.04961	22.7
95.08598	9.1
97.06522	6.0
98.23549	2.5
99.04445	5.6
105.01824	1.4
105.04535	1.6
105.07021	67.3
105.07727	3.4
107.04955	5.3
107.08584	11.8
109.02853	1.6
109.06529	7.6
109.10134	1.6
111.08090	2.6
115.05421	8.0
116.06236	3.9
117.07011	62.7
117.82122	1.7
119.04919	5.1
119.08569	22.6
121.06490	6.7
121.10113	4.3
123.04404	2.6
123.08037	3.7
127.03913	1.9
128.06204	17.7
129.06989	43.5
130.07773	10.3
131.04884	1.5
131.08559	48.7
133.06473	7.1
133.10127	24.0
135.08052	5.6
135.11641	1.5
137.05966	2.7
141.06995	7.7
142.07738	13.6
143.08556	54.7
144.09308	2.6
145.06461	6.8
145.10112	85.4
146.10504	1.6
147.08020	10.6
147.11707	4.9
149.09625	6.7
151.07495	2.7
153.06981	3.8
154.07793	2.8
155.06020	2.0
155.08549	21.0
156.09344	10.3
157.06471	1.7
157.10110	30.7
158.07234	2.9
159.08025	3.7
159.11664	14.7
161.09590	18.1
161.13258	5.9
161.36519	1.2
163.03888	3.2
163.07559	1.6
163.11166	3.2
165.06993	5.3
167.08571	2.3
169.10101	6.1
170.10971	3.0
171.08047	5.3
171.11696	17.4
173.09604	100.0
173.13264	3.0
174.10004	3.0
175.11183	11.5
175.14832	4.1
176.32863	1.4
177.09145	2.2
180.09346	3.9
183.11653	2.5
185.09750	1.6
185.13239	35.6
187.11159	4.0
189.09196	1.5
189.12740	8.0
191.10645	18.5
195.11636	11.3
201.12733	4.0
203.14304	24.6
213.12735	33.9
231.13786	53.4
232.14111	1.5
233.11722	6.7
249.14810	8.2
285.07361	1.6
291.15848	2.8
309.17133	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.9
55.05506	7.3
67.05490	9.9
69.03442	3.5
69.17261	14.9
71.04977	3.8
75.54128	2.2
77.02524	2.5
79.05483	16.5
81.03403	5.6
81.07043	9.6
83.04995	13.0
88.22743	2.6
88.87302	2.4
91.05475	45.2
93.07044	23.2
95.04961	100.0
95.08572	4.9
97.06537	7.0
98.22720	5.8
99.04449	2.7
103.05463	14.3
105.03391	3.5
105.07017	46.7
107.04946	8.8
107.08585	13.8
109.06501	6.1
115.05462	8.6
117.06990	37.8
117.07689	3.4
119.04945	7.3
119.08567	34.1
119.57684	2.9
121.06511	21.4
123.04430	9.1
123.08091	4.3
128.06210	25.0
129.06998	53.1
130.07773	3.0
131.04913	17.1
131.08565	48.4
132.27936	3.0
133.06491	20.3
133.10135	21.1
135.08035	18.3
141.06990	13.1
142.07779	6.7
142.89365	2.7
143.08554	51.1
145.06459	24.2
145.10109	21.9
146.07306	5.1
147.08037	35.6
149.05977	12.4
149.09604	5.7
151.07611	4.6
153.06973	5.4
154.07776	4.6
155.06003	4.6
155.08531	8.2
157.10164	10.3
159.08064	12.7
159.11673	16.2
161.09622	56.1
163.07515	7.9
168.09319	5.8
169.10086	6.4
171.08038	29.3
171.11696	3.3
173.09575	16.1
173.13260	10.1
175.11192	5.6
176.13158	2.5
177.09117	9.1
177.12852	3.8
179.10808	3.9
181.08632	3.9
183.11745	12.8
185.09608	3.5
187.11171	14.5
189.09081	59.9
189.12773	3.5
199.11205	3.7
201.12729	18.3
203.10641	7.2
205.12242	7.7
207.10181	20.7
211.11217	5.1
217.12318	8.4
218.04532	2.7
219.13809	7.3
229.12239	24.5
235.13251	3.6
247.13268	26.5
265.14334	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	542.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01871	2.5
55.05504	7.0
57.03431	2.5
65.03928	2.0
67.05500	6.9
69.03426	1.9
69.07060	2.8
69.63708	3.0
69.64095	3.9
70.16706	1.5
71.04983	5.4
77.03896	1.5
79.05496	12.8
81.07053	12.6
83.04966	7.8
85.06504	3.5
91.05470	46.5
93.07029	17.5
95.04958	22.1
95.08597	6.7
97.06512	4.8
99.04455	2.8
99.08054	1.7
103.05441	4.3
105.07020	61.1
107.04939	3.3
107.08573	9.1
109.06504	6.1
109.10046	1.4
115.05456	8.3
116.06229	3.1
117.07008	74.0
119.04946	3.7
119.08569	24.3
121.06493	5.8
121.10114	6.2
123.08034	2.4
128.06203	20.8
129.06993	43.4
130.07776	14.7
131.08553	54.2
133.06471	4.9
133.07430	1.6
133.10120	23.0
135.08046	5.4
137.05952	2.1
139.17479	1.5
141.06982	6.5
142.07764	16.4
143.07439	3.1
143.08548	51.3
144.09306	2.2
145.06468	7.3
145.10107	79.4
147.08047	7.6
147.11673	6.5
149.09618	6.9
150.44708	1.6
153.06961	3.9
154.07791	3.8
155.08536	19.9
156.09312	6.7
157.10118	28.8
158.07268	4.2
158.10767	2.2
159.08070	4.0
159.11649	13.8
161.09607	15.4
161.13271	5.3
163.11183	5.3
163.24718	1.3
165.06992	3.2
165.09019	1.5
167.08578	2.1
169.10136	5.1
170.10924	3.7
171.08070	5.1
171.11662	15.5
173.09610	100.0
173.13188	3.8
174.09959	2.8
175.11148	12.6
175.14815	4.1
180.09288	3.7
183.11659	1.8
185.09647	2.1
185.13237	31.0
187.11145	6.0
189.08957	1.5
189.12761	6.3
191.10658	19.8
195.11702	9.3
201.12704	3.0
203.14290	24.4
213.12721	28.2
231.13791	54.1
232.14148	2.1
233.11740	6.7
249.14806	7.4
291.15863	3.1
309.16922	2.9
397.37097	1.7
433.49191	1.6
440.83945	1.8
511.59052	1.6
542.31396	7.8
550.98621	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91779	3.1
55.01863	12.5
55.05505	12.1
57.03435	5.1
60.73180	2.8
62.67118	3.2
63.47445	2.6
64.57716	2.8
65.03915	3.3
67.05485	9.1
69.03420	12.4
69.34612	16.1
71.04986	5.9
79.05478	21.7
81.03407	11.9
81.07045	13.1
83.04974	26.7
85.02892	7.4
91.05473	70.7
93.07043	33.9
95.04350	3.4
95.04961	64.5
95.08585	8.4
97.06525	24.7
99.08076	3.9
101.06036	9.8
103.05461	20.3
105.07019	100.0
107.04951	10.6
107.08609	17.6
109.06510	11.3
111.04416	4.5
111.08061	3.5
115.05458	9.3
116.06233	4.1
117.07015	24.2
119.04935	34.2
119.08575	38.3
120.00718	3.2
121.06519	30.2
121.10148	4.6
123.08032	6.4
128.06213	38.0
129.06981	23.6
130.07709	5.6
131.04922	43.0
131.08557	39.3
133.06476	84.8
133.10121	39.7
134.10472	2.8
135.08066	9.8
137.09602	3.0
141.07007	9.9
142.07771	5.7
143.08553	60.7
144.08990	3.0
145.06465	27.7
145.10153	28.2
146.07254	4.6
147.08038	25.1
149.05931	21.9
149.09589	11.7
150.85872	2.9
151.07513	6.5
151.11232	3.1
153.06963	6.2
154.07764	3.4
155.06049	3.4
155.08563	10.4
157.10176	14.8
159.08064	20.6
159.11708	12.6
161.09601	61.2
162.03416	3.1
162.09991	4.8
163.07520	6.1
163.11147	4.1
165.09076	4.6
165.72614	4.1
168.09349	7.2
169.10097	8.1
171.08054	29.7
171.11676	4.1
173.09628	17.7
173.13277	13.9
175.11223	6.3
177.09073	14.1
179.10651	6.7
181.10208	4.0
183.10220	3.8
183.11691	13.5
185.09644	7.9
187.11143	12.2
189.09087	60.1
189.10635	5.5
191.06987	6.3
191.10625	4.8
193.08549	5.9
199.11145	5.5
201.12729	33.5
203.10587	7.0
205.08598	10.6
205.12236	3.3
207.10164	34.2
211.11127	14.1
213.12691	3.4
219.13776	5.9
221.11607	4.0
223.70157	3.4
229.12259	43.3
231.13867	3.4
246.60541	3.0
247.13295	24.8
249.11145	7.4
265.14200	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	542.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	24.0
55.05499	29.4
65.03931	11.4
67.05495	35.2
69.03397	15.7
69.19605	40.5
69.20010	22.7
71.04994	13.4
79.05489	41.6
81.03399	20.4
81.07056	31.9
81.92416	9.7
83.04984	76.3
85.02908	16.9
91.05476	93.7
93.07062	51.4
95.04955	96.0
95.08601	30.4
95.91093	9.3
97.06491	13.3
99.04472	20.4
101.06019	42.9
105.07032	100.0
106.07352	14.3
107.04967	38.5
107.08597	22.1
109.06516	25.9
109.85741	10.4
111.08076	11.5
115.05441	17.4
117.07014	78.2
119.08568	87.9
121.06499	28.8
123.08084	16.8
128.06229	50.5
129.07010	75.8
131.08595	96.6
132.08920	14.9
133.06506	36.2
133.10110	32.3
135.08043	24.8
141.06958	21.1
142.07800	27.2
143.08553	68.1
144.09018	12.8
145.06459	29.5
145.10115	76.3
146.10425	12.1
147.08026	54.8
147.11714	12.7
149.09624	20.2
151.07484	12.9
153.07088	13.4
154.07759	14.2
155.08542	39.7
157.10138	32.8
159.08043	31.8
159.11678	38.6
161.09604	37.9
163.11195	14.4
165.09064	24.4
169.10118	16.6
169.20229	11.7
171.08113	19.2
171.11818	13.0
173.09601	43.8
173.13354	16.1
174.10057	15.4
175.07664	11.6
175.11179	19.1
177.09106	13.4
183.10202	16.0
183.11707	39.5
185.09526	12.8
185.13280	17.2
187.11250	17.0
189.09082	48.3
191.10658	14.5
201.11084	15.1
201.12738	31.3
203.10677	39.9
205.12085	12.1
229.12236	39.4
231.13850	13.4
247.13367	28.1
288.61545	10.1
341.74585	9.2
346.41437	11.4
353.33890	10.2
384.87360	11.2
501.75018	10.8
558.46112	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	542.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.7
55.05510	12.3
57.03448	6.5
62.06073	12.5
63.54073	4.6
66.74529	4.7
67.05472	11.1
69.03414	11.2
69.07071	4.6
74.09724	5.2
77.83440	5.3
79.05483	17.0
81.03416	17.4
81.07062	11.7
83.04984	27.0
85.02894	7.1
85.06507	5.3
91.05473	69.8
93.07040	19.4
95.04946	17.7
95.08588	10.6
97.02906	7.3
97.06576	7.1
101.06020	6.7
105.01888	10.6
105.07019	84.8
107.04933	10.4
107.08580	11.5
109.02884	6.6
109.06483	8.3
109.10249	5.8
115.05456	21.2
117.07011	91.8
119.08572	19.7
121.06493	12.4
127.03889	9.5
128.06224	39.8
129.06996	66.6
130.07773	9.7
131.08556	100.0
133.06468	14.4
133.10127	12.1
137.05925	8.0
141.06976	36.8
142.07779	28.9
143.08557	79.6
144.09315	6.8
145.06465	11.8
145.10121	61.3
147.08057	17.0
151.70441	5.3
152.06200	8.5
153.07004	22.2
154.07748	17.2
155.08531	58.1
156.09190	5.2
157.10091	42.1
159.08047	41.3
159.11694	22.3
161.09583	12.7
167.08487	11.3
168.09352	18.7
169.10098	32.1
171.08051	29.6
171.11684	18.7
173.09624	82.9
173.13226	11.9
175.11159	9.1
181.10080	10.6
183.11670	42.1
185.09645	17.2
185.13268	5.8
186.10268	6.8
187.11169	12.6
189.09203	8.4
191.10654	11.9
193.10121	12.1
199.11224	25.9
201.12811	25.8
211.11104	26.7
217.12285	19.7
223.71724	5.3
229.12231	63.8
233.11800	6.6
247.13286	37.9
307.15326	9.0
332.59949	5.3
503.20026	5.6
543.38971	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	542.311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.6
58.06597	3.8
66.16165	0.4
67.05480	0.6
67.60213	0.3
69.26173	1.7
70.06602	0.8
71.04981	1.9
72.08147	2.7
75.04465	1.4
77.08939	0.3
78.98877	0.4
79.05477	1.7
82.06580	0.4
84.08141	0.7
85.06515	0.6
88.07634	0.6
91.05475	2.9
93.07028	0.7
95.04955	1.3
96.08113	0.5
97.06493	0.4
98.09676	0.7
98.22662	0.7
100.41880	0.4
101.53828	0.4
102.09156	1.5
105.03387	3.6
107.04955	0.5
108.08103	2.9
109.06531	0.5
115.05415	0.5
117.07024	1.1
119.04912	0.4
121.06512	0.9
121.08923	0.5
122.09649	1.0
124.11213	0.6
128.06223	0.5
128.35999	0.3
129.06958	1.9
131.04936	0.6
131.08540	1.3
133.06468	0.5
134.34248	0.3
135.08026	1.0
137.05962	0.5
138.09100	0.4
141.06961	1.3
143.08553	1.6
144.05669	0.4
145.06413	0.3
147.07994	0.7
148.11179	0.6
149.09532	0.5
152.10675	0.8
153.06944	0.6
154.12244	1.4
155.08563	1.2
157.10115	0.7
159.08086	0.6
160.11218	0.5
163.07610	0.5
165.06985	0.9
167.08598	1.9
169.10181	0.7
171.08064	0.5
172.11229	0.7
174.12881	0.4
176.10736	0.5
177.09076	0.4
178.07788	0.4
178.12286	0.8
179.08505	1.9
181.10097	1.5
183.08083	0.4
185.09596	0.8
191.08565	0.8
192.09402	0.5
193.10098	0.9
195.11703	1.0
197.09637	0.4
199.11115	0.5
203.08583	0.8
204.09370	0.5
205.10112	1.1
207.11714	1.0
217.10150	0.9
221.09657	0.4
221.13380	0.6
223.11043	0.4
233.13272	0.8
237.12694	0.7
249.12769	0.7
306.18427	0.7
310.17957	0.9
313.68518	0.4
324.19458	0.8
326.21378	0.5
338.21204	2.2
342.20618	1.8
344.22418	0.4
356.22046	0.5
370.23712	11.1
374.23178	6.7
374.27606	0.5
375.23560	0.5
388.24738	3.0
402.26321	34.6
403.26465	1.8
420.27377	32.9
421.27750	1.4
492.28278	0.5
524.29797	1.0
542.31030	100.0
543.18402	1.0
543.31317	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	542.3113
Annotation	Anopterine
Peak:m/z	Relative Intensity
55.90762	1.0
57.07074	7.6
58.06587	3.1
64.35830	1.1
70.06586	19.9
70.78616	1.1
71.08623	3.4
87.29625	1.2
88.07623	23.5
93.70972	1.3
102.09164	15.6
105.03377	20.3
149.02348	11.2
149.05963	75.6
150.06305	1.7
181.06398	3.4
193.04945	15.5
214.03217	1.0
228.23203	63.5
246.05920	1.2
287.50607	1.3
297.07562	17.8
329.65598	1.5
341.10181	65.4
342.10550	2.5
542.31024	100.0
543.31372	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	542.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.4
55.05502	4.4
57.03419	2.5
59.02930	1.2
59.77472	1.1
65.03939	1.4
67.05486	7.6
69.03423	2.1
69.07065	2.4
71.04979	4.3
71.43258	1.4
79.05481	10.9
81.07055	11.8
81.70007	1.3
83.04973	5.0
85.06542	3.1
91.05476	42.9
93.07040	17.2
95.04963	21.0
95.08585	6.2
97.06515	2.6
103.05438	2.7
105.04493	1.5
105.07022	63.7
107.04916	1.6
107.08592	7.6
108.08080	2.9
109.06512	7.0
111.08032	1.8
115.05436	9.0
116.06246	2.4
117.07012	59.6
119.04935	3.8
119.08567	20.1
121.06493	6.9
121.10156	3.7
123.08060	2.4
128.06215	16.2
129.06996	41.8
130.07759	10.7
131.08556	45.8
132.05702	1.4
133.06447	7.2
133.10120	22.1
133.11038	2.5
135.08044	5.0
135.11696	1.6
137.05937	1.9
141.07004	6.4
141.98643	1.3
142.07759	12.7
143.08554	42.4
144.09291	4.6
145.06490	6.2
145.10117	69.3
146.10590	1.9
147.07996	8.7
147.11717	6.5
149.09581	5.9
151.07581	1.5
153.07022	1.8
154.07787	2.9
155.08540	17.4
156.09306	4.9
157.10120	25.0
158.07249	3.4
158.10915	1.5
159.08070	3.7
159.11705	11.3
161.09607	13.6
161.13239	3.6
163.11208	4.4
165.06999	3.7
169.10094	4.6
170.10896	4.5
171.08061	2.8
171.11670	17.0
172.08847	1.9
173.09605	100.0
173.13260	3.3
174.10092	1.4
175.11139	11.9
175.14743	4.0
177.09103	1.7
180.09334	3.3
185.13243	25.6
187.11133	5.0
189.12721	5.1
191.10652	19.0
192.13794	1.4
195.11708	5.7
198.10490	1.5
201.09270	1.2
201.12720	1.7
203.14305	20.2
213.12729	18.4
231.13786	35.1
233.11697	7.7
249.14771	6.5
291.15955	2.1
322.20032	6.8
340.21106	2.0
542.79797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.5
57.03435	6.6
60.08160	4.4
62.54588	2.7
67.05493	15.3
69.07069	6.6
70.06580	8.1
71.04996	6.2
71.07368	3.0
79.05482	15.0
80.13533	3.0
81.07045	12.7
83.04966	8.6
85.06532	3.4
86.09698	31.0
87.10023	3.5
88.07636	12.2
91.05473	14.9
93.07037	20.9
95.04961	70.1
95.08588	8.2
98.23492	8.3
98.98505	3.1
102.09183	3.8
105.03396	6.1
105.07024	39.1
107.04940	4.2
107.07693	2.5
107.08588	17.3
109.06533	9.1
109.10118	5.7
115.05426	5.0
117.06976	14.2
119.08562	23.9
121.06484	7.7
121.10134	9.8
123.08048	4.6
125.00007	17.8
129.07007	7.8
130.07797	9.0
131.08559	23.6
131.09412	4.1
133.06470	16.0
133.10098	10.6
135.08049	9.0
135.11670	6.3
137.09602	3.1
142.07825	5.9
143.08551	14.8
145.10110	100.0
146.98235	5.7
147.08025	9.0
147.11697	8.4
149.02380	3.3
149.05937	21.1
149.09599	9.2
156.09325	5.4
157.10086	7.6
158.07295	5.7
159.11661	6.9
161.09596	6.1
161.13263	4.2
163.11188	11.2
165.09126	3.4
166.10274	2.6
170.10974	3.3
171.11722	10.8
173.09622	26.9
175.11249	3.4
175.14798	5.9
184.07304	69.7
184.08836	4.3
185.13263	12.5
189.12755	7.7
191.10654	22.7
193.05078	3.1
201.13026	3.9
203.14301	22.3
213.12750	8.1
228.23233	13.0
231.13751	40.5
249.14713	14.3
297.07697	4.1
341.10184	13.7
348.14331	3.0
483.23706	6.7
525.35553	4.5
542.30530	27.7
543.36542	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	542.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.1
57.03423	4.4
57.07082	11.7
65.03942	3.0
67.05502	9.8
67.85041	2.1
69.07058	2.6
71.04996	4.4
71.51772	2.2
79.05474	16.4
79.24825	2.8
81.07055	15.9
83.04977	9.1
85.06516	5.8
91.05470	43.1
93.07034	21.3
95.04951	26.8
95.08605	9.2
97.06529	6.3
103.05479	5.5
105.07023	60.9
107.04976	4.5
107.08580	6.9
109.06524	6.2
110.53764	2.4
115.05448	13.1
116.06284	3.6
117.07001	57.4
119.04922	4.3
119.08562	24.7
121.06483	5.9
121.10153	6.6
123.08054	3.5
128.06200	22.1
129.06990	44.2
130.07802	12.2
131.08556	54.2
133.06497	5.0
133.10127	21.7
135.08069	6.5
141.06969	9.1
142.07767	13.6
143.08548	44.7
144.09268	2.9
145.06464	7.1
145.10120	78.9
145.11227	5.6
147.08099	6.8
147.11691	8.4
149.09599	5.1
153.06917	3.8
154.07823	2.8
155.08536	23.0
156.09337	6.6
157.06488	3.6
157.10101	26.4
158.07246	3.4
159.08073	3.8
159.11670	14.3
161.09607	14.0
165.06990	3.6
169.10124	7.2
170.10970	2.4
171.07999	7.5
171.11725	15.3
173.09601	100.0
173.13339	2.6
174.09985	3.1
175.11200	14.1
175.14896	2.8
180.09357	3.6
183.11684	2.6
185.13229	23.3
187.11162	5.8
189.12804	5.6
191.10629	17.8
195.11682	11.3
201.12718	3.5
203.14279	13.2
213.12677	26.1
230.06929	2.6
231.13783	44.1
247.13170	5.1
249.14969	4.3
275.16510	3.1
385.70352	2.4
540.37946	2.5
542.35175	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	542.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.7
55.05254	2.1
55.05504	23.7
56.05031	3.1
56.05836	1.0
56.11819	1.0
57.03438	8.0
57.07052	4.0
64.87699	1.0
65.03937	1.8
67.05497	40.8
69.06705	2.0
69.07060	24.7
69.15588	6.7
71.07368	11.9
71.08629	1.7
71.76352	1.4
73.06566	1.1
74.17252	1.2
78.04635	1.0
79.05489	15.2
81.07050	42.7
83.04961	4.3
83.08614	12.0
85.06525	2.5
86.09698	60.6
88.51196	1.1
91.05470	14.3
93.07028	16.3
95.04958	3.2
95.08591	25.3
97.06541	2.5
97.10134	7.8
101.06004	6.1
103.05419	1.5
104.10719	4.1
105.04531	1.4
105.07024	19.4
107.08596	13.7
109.10133	11.3
111.08095	1.5
117.07032	8.4
118.07336	1.9
119.07044	1.6
119.08558	11.5
120.08866	1.6
121.10120	9.4
123.11692	3.7
125.09626	2.7
128.06232	1.2
129.06961	3.8
130.07852	1.3
131.08595	9.4
133.08545	1.2
133.10121	8.0
135.11652	3.5
137.13225	1.6
141.06950	1.9
143.08553	4.8
145.10114	32.7
146.98169	100.0
147.11665	3.1
149.05930	1.6
155.08398	1.4
157.10100	2.0
158.10504	1.1
159.11664	13.7
161.09654	1.3
161.13222	5.7
164.99232	2.5
169.10062	1.3
171.11662	3.1
172.11990	1.2
173.13237	2.5
175.14774	1.7
177.12816	1.6
181.10081	1.4
185.13155	1.6
189.11259	1.7
201.16356	46.5
202.16684	1.3
205.67461	1.1
212.08563	1.1
219.17334	3.0
227.12871	1.8
228.23149	1.4
240.10039	1.2
297.21921	1.3
298.22519	1.9
337.27322	19.6
359.25528	8.4
432.29773	2.8
450.30557	2.7
461.59790	1.4
468.31668	2.5
483.24792	95.1
484.25055	5.2
524.34283	3.6
542.32733	38.4
543.36621	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	542.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49572	2.4
55.05496	10.2
67.05500	13.1
69.07049	8.8
71.05482	2.7
71.07379	2.8
73.06498	2.5
77.55952	2.2
79.05480	8.6
80.30116	2.7
81.07058	17.2
83.04979	8.3
83.08616	3.1
85.06534	3.0
86.09702	20.8
91.05474	9.0
93.07030	9.1
95.08616	15.8
97.10135	2.4
100.84659	2.3
101.06008	13.9
105.07035	21.5
107.08585	10.2
109.10133	8.3
115.05453	3.2
117.06989	11.5
119.07082	2.9
119.08569	13.6
121.10120	8.3
129.07005	2.8
130.07797	3.0
131.08533	14.0
133.10103	8.5
135.11674	3.7
143.08556	3.0
145.10103	71.5
146.98169	30.7
147.11769	2.7
149.13159	2.6
159.11684	27.7
161.13219	7.9
173.13229	5.2
175.14902	2.5
177.12709	3.3
201.16364	100.0
219.17381	6.6
228.23265	2.6
275.83655	2.7
337.27222	8.0
347.81586	2.4
483.24872	27.3
518.59058	2.7
542.31360	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
57.07071	33.6
64.43970	0.6
69.07056	2.7
69.26708	3.9
71.08626	23.8
73.06547	7.4
83.08601	2.7
85.09693	1.4
85.10177	21.1
87.04462	4.4
87.08112	1.6
89.06023	100.0
90.06387	0.8
91.07582	0.8
95.08636	0.8
97.10161	3.4
99.11726	3.8
107.07035	3.4
113.13252	2.1
117.09105	4.6
130.08621	1.3
131.07028	1.8
133.08595	49.5
134.45891	0.7
145.82813	0.7
153.88350	0.6
155.17894	4.4
157.30527	0.7
161.11722	1.3
169.08592	1.0
175.09619	0.9
177.11203	21.5
195.12355	0.8
199.20561	5.3
221.13791	3.2
227.94856	0.6
243.23178	6.6
274.61945	0.7
283.17545	2.4
287.25745	3.5
297.17090	1.4
321.28882	0.7
327.20108	1.6
371.22650	5.7
481.37082	0.9
525.39868	6.8
542.40942	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25519	0.6
70.51512	0.6
119.65401	0.8
137.60347	0.6
201.01442	0.6
301.41101	0.6
322.48401	0.6
367.44632	0.6
381.03043	0.9
381.07874	17.4
543.13177	100.0
544.13257	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05259	0.9
56.15337	0.9
56.91894	1.0
65.70111	1.0
69.19868	5.9
112.89606	1.6
112.99248	0.8
114.89412	1.3
123.34630	1.1
164.60913	0.9
249.13716	1.1
381.07880	8.7
511.71390	1.2
518.62689	1.0
543.13190	100.0
544.13507	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42958	1.6
78.45411	1.2
82.00283	2.2
94.66322	1.2
140.04379	5.9
142.59497	1.3
151.03871	1.6
182.20485	1.3
201.05280	6.1
204.07629	6.6
241.04163	1.4
315.38742	1.2
381.13062	8.5
399.14148	1.9
481.17746	4.9
483.16122	2.4
499.23184	4.1
543.17883	100.0
544.18317	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	543.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01868	1.3
55.05508	12.1
57.03433	1.7
59.05025	0.3
61.02926	1.2
63.91712	0.2
65.03943	1.6
67.05496	2.3
69.03426	8.8
70.06571	0.2
71.01355	0.9
71.04981	2.1
71.43909	0.3
73.02905	0.4
73.12467	0.2
74.67207	0.2
79.05505	0.7
81.03413	12.4
83.01330	0.5
83.04975	78.5
84.05318	0.7
84.40705	0.2
85.02898	46.2
85.06639	0.2
86.03238	0.3
87.00832	0.3
87.04456	0.7
89.02415	0.3
91.05473	12.6
93.07044	0.5
95.04961	2.6
97.02885	5.0
97.06524	0.3
99.04446	4.5
101.06010	2.0
102.43594	0.2
103.03949	1.3
105.04499	0.2
105.07018	0.4
107.04957	0.7
108.05705	0.2
109.02871	15.3
109.06480	0.3
111.04435	28.1
112.04776	0.4
113.02361	0.7
113.05993	0.7
115.03924	0.6
115.05415	0.4
119.04934	8.1
121.02888	0.3
121.06485	0.5
123.04425	1.0
123.08106	0.4
125.02319	0.4
125.05981	0.5
127.03905	13.6
128.06245	0.3
129.05472	9.2
129.07014	0.7
129.78516	0.2
131.04831	0.4
133.06514	0.3
135.04425	0.6
136.05188	1.3
137.05956	1.6
139.03911	1.2
145.04961	1.3
145.06500	0.4
147.04420	0.8
149.05966	0.5
151.07527	20.8
152.07922	0.3
153.05484	0.8
155.03384	0.5
157.06482	0.9
157.10204	0.2
161.05946	0.4
163.03902	0.7
163.07532	0.7
165.05479	0.5
165.09129	0.6
167.07077	0.2
169.04967	1.4
171.06511	100.0
172.06866	1.7
173.04405	1.2
174.06729	0.3
175.03870	0.5
175.07565	0.7
177.05479	0.4
179.07011	2.6
181.06413	0.2
181.08575	0.4
183.06581	0.2
185.05954	0.4
187.06015	5.5
187.07507	0.3
189.07541	0.5
189.09103	1.0
191.06998	0.6
193.04951	0.6
193.08614	0.6
195.06558	0.3
199.07497	0.5
203.07054	0.3
205.06958	0.2
205.08728	0.3
207.06522	0.2
209.08067	0.2
213.07463	0.3
215.05482	3.5
215.07439	0.3
217.08609	2.7
219.06555	0.7
227.06924	0.3
229.06985	0.3
231.10120	0.5
233.06514	0.9
233.11592	0.2
235.09682	1.1
237.07483	0.6
241.08553	0.4
243.10313	0.3
255.08580	0.7
259.09619	2.2
261.11276	1.0
271.08124	0.6
277.10764	0.6
279.12198	0.4
297.09589	0.9
315.10666	0.3
339.14478	0.2
357.11749	1.8
375.08380	0.3
375.12854	5.2
375.17636	0.3
499.25214	0.3
535.23016	0.2
543.23724	1.6
543.31433	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	543.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53170	0.8
63.00095	0.9
63.99363	0.7
65.06265	0.6
70.49706	0.8
98.22651	1.3
104.59427	0.8
105.07041	0.8
132.19649	0.8
144.36948	0.8
145.10150	1.1
201.07317	0.8
203.03456	0.9
203.07298	0.8
213.12718	0.8
215.49159	0.8
271.04221	1.1
295.22495	7.1
337.23917	1.1
340.96326	0.8
457.27634	5.8
499.28766	36.5
500.28851	1.9
543.27722	100.0
544.28143	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.05499	4.1
57.03436	1.3
65.03919	1.0
65.83136	0.9
66.29275	1.1
67.05499	9.9
69.07047	3.1
69.34876	5.6
72.30058	0.9
74.22393	0.9
79.05495	8.4
81.03403	1.3
81.07056	9.9
83.04964	1.2
83.08627	1.8
88.45940	1.0
91.05470	7.7
93.07029	11.1
95.04945	1.7
95.08596	6.9
97.10199	2.1
98.22641	1.5
104.10713	3.5
105.07020	6.2
107.08576	6.0
109.10146	2.3
117.07019	3.3
119.08556	5.7
121.10143	3.7
125.09596	1.3
131.08554	4.1
133.10115	4.6
135.11662	2.4
145.10110	3.5
147.11697	2.8
157.10179	1.5
159.11719	2.2
161.73111	0.9
163.11179	2.6
173.13252	2.0
183.11678	1.0
187.11145	1.1
191.10680	1.0
212.62558	1.0
215.14104	1.0
219.63277	1.0
227.12686	3.0
241.10466	2.3
243.70073	1.1
275.20096	3.6
282.14783	1.0
289.11728	1.2
332.14127	1.5
346.58450	1.0
387.19540	1.1
399.19611	5.5
415.18869	1.8
427.18848	3.9
429.19318	2.2
429.24814	17.5
433.31097	1.6
442.21100	1.7
444.22845	8.6
451.32092	1.2
457.23672	100.0
458.24036	4.1
471.25034	1.8
485.26233	1.6
495.24908	1.5
497.30548	9.2
507.28848	2.3
525.29614	3.3
525.36371	1.9
528.29059	5.7
543.30768	43.9
543.37030	9.9
544.31213	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
54.09529	1.1
55.01869	3.6
55.05503	17.9
57.03434	5.3
57.07086	1.1
63.08161	1.1
65.03922	2.1
67.05499	29.7
69.03439	1.3
69.07066	9.3
71.04996	1.6
79.05483	22.1
81.03401	8.5
81.07051	27.8
83.04989	3.3
83.08611	8.2
85.06531	2.9
86.09679	1.5
91.05470	24.4
93.07036	19.0
95.04963	7.9
95.08607	15.5
97.06579	1.8
97.10160	8.7
98.23499	2.7
104.18349	1.0
104.54116	1.1
105.03350	1.2
105.07023	21.7
107.04943	2.3
107.08576	12.5
107.09166	1.2
109.06509	2.2
109.10161	8.2
111.08089	3.1
115.05483	2.0
117.07028	8.6
119.08566	18.1
121.06510	3.6
121.10143	5.6
123.08084	2.3
123.11728	3.1
125.09621	8.1
128.06287	3.2
129.06996	9.2
131.08557	20.5
133.10132	11.1
135.08066	2.5
135.11697	4.7
137.09645	1.5
141.06998	3.0
142.07793	3.0
143.08542	9.5
145.06540	2.9
145.10104	14.2
146.98204	2.9
147.08073	2.7
147.11658	7.5
149.05989	1.8
149.09673	2.2
149.13240	1.6
153.07063	1.1
155.08545	6.8
156.09357	1.4
157.10112	11.8
159.08084	4.4
159.11681	12.6
161.13289	4.0
163.11201	2.2
167.08582	2.6
169.10060	6.4
171.08163	2.1
171.11676	9.2
173.09622	1.4
173.11893	1.4
173.13217	6.2
175.11122	2.2
175.14844	1.4
179.08641	1.5
181.10184	4.1
181.18867	1.2
183.11700	4.7
185.09663	1.8
185.13161	5.4
187.11209	3.1
187.14825	3.1
189.11232	2.5
193.12263	3.6
195.11694	3.4
197.13327	3.7
199.11192	1.6
199.14873	3.6
201.12711	1.2
209.13307	3.0
211.13200	1.3
211.15004	1.8
213.16350	1.7
221.13257	1.4
223.14896	2.3
225.16420	1.3
227.12708	2.7
241.19505	2.3
257.18970	2.0
259.20486	6.6
267.15891	3.2
275.20175	1.6
283.20493	1.8
297.22195	2.4
299.23520	6.1
301.21738	1.8
315.23315	1.9
325.21707	1.5
333.24182	1.5
337.25528	1.1
339.23071	1.5
342.10712	2.1
357.24307	2.0
379.23459	1.3
408.98944	1.3
415.29944	1.6
423.32816	2.6
433.30859	7.2
451.32089	11.0
469.33112	4.9
484.24091	1.4
507.34662	1.8
515.37543	3.4
525.35657	19.6
543.36847	100.0
544.37177	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	544.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90425	1.5
65.03942	3.3
70.06589	2.8
73.35558	1.5
81.03419	5.0
81.83412	1.6
86.67031	1.4
87.54771	1.3
91.05482	2.9
93.03374	3.7
97.02884	2.5
98.22726	4.2
108.02103	2.8
109.02886	4.0
111.04423	2.6
111.78111	1.4
119.04155	1.6
119.04931	6.6
125.06010	3.4
136.66341	1.6
137.05957	33.0
141.05472	3.5
147.04393	13.8
151.03899	100.0
151.04951	6.6
152.04202	2.4
169.05002	15.0
179.07027	12.8
209.25645	1.6
253.21313	1.5
259.31900	1.7
295.08075	7.5
313.09091	8.5
417.83734	1.6
494.89014	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
65.03926	2.3
66.88776	0.8
67.05519	0.7
69.03423	1.5
69.67267	2.7
70.06587	8.3
72.08140	1.8
73.23233	0.6
81.03414	4.8
85.02903	1.5
93.03404	1.6
95.04984	1.1
97.02882	2.8
98.23457	1.5
108.02095	1.2
109.02868	2.6
111.04437	2.9
125.06002	3.3
127.03909	1.4
137.05962	2.1
141.05438	2.5
147.04381	2.1
151.03903	100.0
151.04970	6.1
152.04312	1.3
169.04948	14.1
169.13390	2.5
193.66644	0.9
197.12798	1.2
284.65225	0.8
295.08124	8.0
307.12595	0.8
313.09155	7.1
323.70499	0.8
358.19754	2.4
544.25012	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	544.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88740	1.0
53.03928	1.2
54.52575	1.1
57.91877	1.1
58.13721	1.1
58.20404	1.1
65.03936	2.6
68.91162	1.0
69.03425	5.5
69.90460	3.8
70.06577	9.0
72.08176	1.5
75.08226	1.3
81.03410	8.1
84.08119	2.3
85.02902	3.6
86.09711	2.4
87.04473	1.9
91.05468	1.8
93.07067	1.8
95.04963	5.5
97.02888	6.4
97.99483	1.1
103.05471	1.8
105.07056	1.2
107.04976	1.9
109.02891	4.3
111.04438	3.1
116.07108	1.3
121.02856	100.0
121.06489	3.4
122.03131	1.3
127.03937	2.9
131.04961	2.7
137.05960	5.6
139.03882	19.7
139.11156	1.9
147.04424	2.5
149.05960	5.2
151.03870	5.4
159.04359	1.4
163.03900	3.4
167.07030	28.1
174.14832	1.5
177.05443	12.2
209.08066	10.0
227.09123	14.8
265.07153	10.0
283.08096	11.5
391.43909	1.6
403.14124	1.3
544.17474	1.4
545.11926	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38520	2.1
53.03942	4.9
55.05506	56.5
57.03440	11.3
59.04996	2.2
60.05635	2.4
69.03416	12.9
69.96163	1.8
73.06549	14.6
75.11861	1.8
81.03412	16.5
81.07057	2.3
83.04973	100.0
85.02897	19.6
95.62907	1.8
97.02879	10.6
99.04463	3.0
101.05338	4.0
101.06005	73.3
103.21496	2.3
105.01861	1.9
109.02867	49.7
119.04917	4.6
119.07034	12.0
125.02323	4.8
127.03906	20.0
137.05960	1.9
143.07021	7.3
145.04938	8.0
147.04396	18.6
161.08101	7.3
177.05481	4.5
183.10129	10.5
185.08113	3.0
199.09653	2.8
201.11215	17.1
209.08037	18.2
214.81813	2.7
227.09111	26.6
243.12392	2.2
245.10190	23.4
249.80113	1.9
263.11234	3.0
309.13269	4.5
327.14319	41.6
330.13382	2.1
345.15381	7.7
510.30283	2.3
512.18774	2.2
544.23035	5.9
544.31531	24.8
545.32916	17.4
565.28113	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	544.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.2
67.05494	6.3
71.04992	7.5
79.05524	7.0
81.07053	17.5
83.04968	10.5
84.40939	3.5
85.06552	6.4
91.05475	32.2
93.07019	13.3
95.04961	13.9
95.08589	4.8
98.23517	8.7
101.05995	12.4
105.07034	44.9
107.04998	6.0
107.08575	8.5
109.06515	7.2
115.05428	7.9
117.07014	47.8
119.04997	4.5
119.08593	15.0
128.06215	12.4
129.06987	27.6
130.07774	8.7
131.08551	42.6
133.06548	8.8
133.10123	12.3
135.08015	7.6
135.68434	4.0
137.07825	4.0
141.06937	6.4
142.07750	10.7
143.08553	43.4
145.06511	6.3
145.10114	100.0
147.07991	6.0
147.11682	7.4
149.09602	5.5
155.08539	25.1
156.09354	5.4
157.10136	27.1
159.08017	6.2
159.11702	14.6
161.09566	27.1
165.06956	5.1
169.10168	6.1
171.08028	6.8
171.11664	12.8
173.09605	65.4
175.11209	6.3
175.14749	5.0
178.73352	4.5
185.13205	34.7
187.11197	9.4
189.12730	8.3
191.10635	9.0
195.11646	18.5
201.12778	4.6
203.14297	26.0
213.12698	46.8
231.13789	89.9
249.14885	9.1
490.66891	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	544.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62749	8.9
52.92684	9.9
55.01871	12.2
55.05510	17.6
55.09301	12.0
67.05494	13.5
79.05472	21.5
81.03412	26.5
81.07059	24.8
83.04981	21.8
91.05502	67.5
93.07034	23.7
95.04963	100.0
95.05962	11.1
95.08604	11.3
97.06575	22.9
103.05477	20.9
105.07008	80.9
107.04971	12.9
107.08595	14.2
109.06544	12.4
115.05394	15.6
117.07001	23.5
119.04932	25.8
119.08585	29.9
121.06496	23.9
121.10166	12.3
128.06210	16.6
129.06989	29.5
131.04944	40.3
131.08559	42.4
133.06491	63.9
133.10144	34.1
141.06888	12.1
143.08565	55.0
144.08971	12.3
145.06425	16.9
145.10120	14.9
147.08005	24.4
149.05984	28.9
159.08063	13.5
161.09625	70.9
169.19017	9.0
171.08011	24.4
173.09576	14.3
177.09125	20.2
183.11748	18.5
187.11215	14.4
189.09178	59.3
201.12759	24.2
205.08482	10.6
207.10124	32.1
217.49777	9.8
229.12309	27.8
242.11642	10.5
247.13269	19.8
267.15903	19.5
292.96283	11.2
335.42892	9.7
411.68677	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	545.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84324	0.8
53.98035	0.8
56.55522	0.6
69.03418	1.0
69.10905	5.3
70.06579	1.1
89.03910	1.0
93.03449	0.6
109.07475	0.7
117.03390	1.8
122.21371	0.7
125.07102	2.5
135.04390	2.7
145.02852	2.5
147.04440	1.0
163.03896	11.8
175.03648	3.3
185.02080	2.7
185.04303	0.9
203.03146	2.3
221.02591	1.2
221.04442	2.3
237.07341	1.5
242.91891	0.7
245.40126	0.7
272.05539	1.1
331.07898	1.4
337.08960	1.0
347.07404	3.4
365.08374	17.8
383.07251	1.0
459.80060	0.7
465.50909	0.8
545.16846	100.0
546.17566	4.5
569.62146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1625
Annotation	Premithramycin A1
Peak:m/z	Relative Intensity
64.19718	0.3
70.85908	0.4
74.64156	0.3
79.48593	0.3
83.28249	0.3
99.96460	0.3
103.70729	0.3
125.14906	0.3
146.73671	0.3
147.04428	0.3
163.03954	0.5
193.77872	0.3
248.57307	0.3
321.09555	0.5
337.08951	1.6
383.09708	0.9
527.15118	3.8
545.16272	100.0
546.16681	5.2
567.73291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67701	0.5
55.01864	2.0
69.78673	1.6
72.99091	0.7
75.58627	0.6
77.03893	0.8
79.05480	6.9
79.76198	0.7
81.30538	0.7
90.04719	1.4
90.68148	0.7
91.05468	1.3
95.04974	1.8
98.23412	0.9
103.05460	12.2
105.04533	1.3
105.07024	72.0
106.07368	1.4
113.14365	0.6
115.05453	14.1
118.04123	4.8
131.04915	4.1
132.05673	1.7
133.06483	63.8
134.06790	1.0
143.04944	1.4
143.06039	6.5
148.05161	0.9
149.05992	1.1
161.05968	100.0
162.06374	2.0
163.07524	1.9
176.04445	1.4
184.04918	5.2
185.05766	1.8
191.07008	9.7
193.08588	62.1
194.08969	1.0
210.30244	0.6
215.06766	17.7
228.07573	1.8
238.91237	0.6
249.07277	0.9
259.09790	0.6
365.06375	1.0
381.13010	0.8
408.85654	0.6
441.15179	50.4
442.15561	2.4
501.17383	1.1
545.10266	1.6
545.19312	1.9
545.32916	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1993
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
55.05487	0.5
57.87109	0.5
63.42759	0.5
66.52557	0.6
67.85320	0.5
69.29562	2.5
70.92500	0.5
78.69938	0.5
89.09736	0.5
90.42954	0.4
147.04437	1.2
159.04164	2.1
286.11722	2.4
343.17368	1.8
348.11865	1.9
401.15698	2.1
438.13300	0.6
483.19815	24.1
484.20148	1.5
485.17636	0.9
527.18561	1.4
545.19885	100.0
545.31964	8.2
546.20251	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	545.1998
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
51.97171	0.2
59.68480	0.2
68.14658	0.2
69.13006	1.0
69.13414	0.5
80.14934	0.2
98.23433	0.5
102.89088	0.2
105.02020	0.3
106.99501	0.2
107.04935	0.3
128.51634	0.3
137.05989	0.8
140.04414	0.3
147.04463	0.4
159.04184	0.5
162.06740	0.3
163.07527	0.5
185.04213	1.5
185.05782	2.1
189.05243	0.8
202.06021	0.5
203.06786	0.6
204.07588	6.8
211.05940	0.3
217.06566	0.3
233.11739	0.5
261.11234	0.8
301.10635	0.3
346.10138	0.9
365.13791	0.8
401.15836	1.7
443.17093	0.5
483.19843	6.1
485.17755	2.3
527.18958	1.1
545.19916	100.0
546.20276	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	545.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04925	0.4
61.01496	0.4
67.05495	0.6
69.16196	2.4
81.07061	0.5
89.90205	0.4
95.08598	0.5
96.91391	0.4
102.68701	0.5
105.07017	0.6
109.02826	0.5
109.10155	1.0
120.18034	0.4
133.06465	0.6
147.04489	0.5
159.04187	1.9
161.06010	1.4
173.11761	1.6
174.12093	0.5
177.05487	0.6
191.07018	0.5
193.08658	1.1
286.11700	2.0
333.09552	0.7
346.61981	0.4
348.11801	1.5
396.91193	0.4
401.15793	1.2
435.17853	0.6
443.16519	0.8
483.19870	23.5
484.20184	0.9
485.18036	0.6
527.18921	1.4
545.19897	100.0
545.31720	4.5
546.20282	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
55.59579	1.2
58.55232	1.1
60.36899	1.0
65.83847	1.1
69.03426	1.7
69.79674	1.2
71.67969	1.0
81.03390	2.3
96.63290	1.1
96.95246	1.1
99.04424	1.1
99.10449	1.2
100.56364	1.2
119.08603	1.2
159.11626	1.1
176.89363	1.2
185.04222	5.8
240.93898	1.1
289.05359	2.7
339.17737	2.7
357.18747	2.1
382.81131	1.1
401.17401	1.2
439.22937	7.6
441.20810	3.0
459.22162	4.0
483.22269	3.6
501.23041	56.3
502.22943	1.8
526.14252	1.2
545.22064	100.0
546.22406	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	545.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78563	0.6
66.27422	0.5
69.11554	1.4
69.11976	2.4
75.66530	0.6
76.19413	0.6
78.19310	0.6
84.91405	0.5
88.81270	0.5
91.05502	0.9
123.04180	4.5
157.52191	0.5
209.72594	0.6
223.09386	100.0
224.09717	2.6
260.24158	0.6
345.13040	54.6
346.13531	2.0
358.79984	0.8
386.15707	1.2
545.23529	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45755	0.7
64.15125	0.7
67.05477	0.8
79.05468	1.1
81.07051	1.0
91.05473	1.4
93.07034	1.3
95.04926	0.9
105.01221	0.6
105.07003	2.5
107.08629	1.6
109.10197	1.0
117.07011	1.0
119.08556	1.6
121.10152	1.5
131.08542	1.8
133.10135	1.4
135.04338	0.8
135.08026	2.0
138.01144	0.7
143.08557	1.2
145.10077	2.1
147.11679	0.7
157.10139	0.8
159.11659	0.7
163.03815	1.1
203.05283	1.3
227.05270	1.0
237.07317	1.0
243.04747	0.8
245.06262	6.4
271.04266	1.1
271.13156	1.1
279.17062	2.9
287.03516	1.1
289.05252	100.0
290.05609	1.7
297.18335	1.7
298.65662	0.7
331.15021	6.0
358.65427	0.7
365.95517	0.7
411.16159	1.3
501.24176	3.5
545.23212	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	545.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11361	0.3
66.86337	0.4
67.05470	0.5
69.07041	0.3
71.42476	0.4
78.50397	0.3
79.05479	0.9
81.07036	0.8
83.08543	0.3
84.93923	0.3
85.02876	0.6
91.05480	1.7
93.07014	1.4
95.04952	0.8
95.08560	0.9
98.38116	0.3
105.04453	0.4
105.07011	1.5
107.08562	1.4
109.06476	0.9
109.10094	0.4
115.85898	0.3
117.06996	0.8
117.18980	0.3
119.08512	1.2
121.10119	2.4
131.08600	0.7
133.10101	0.5
135.08037	1.5
142.07704	0.4
143.08542	0.4
145.10062	1.2
147.11591	0.4
157.10115	1.1
159.11526	0.3
173.09613	0.5
173.13216	0.5
183.11588	0.5
185.04210	0.6
199.14853	0.6
203.05226	2.0
213.09717	0.3
227.05228	0.8
229.03352	0.4
245.06308	5.3
271.04333	1.0
279.17184	1.9
287.03619	0.6
289.05267	100.0
290.05615	1.2
297.18204	1.2
306.33929	0.4
327.77658	0.4
352.12531	0.4
459.23492	0.9
464.75613	0.4
501.24408	4.6
501.30786	0.5
512.98480	0.4
545.23425	20.1
546.23975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.6
58.31075	0.7
67.02393	0.6
67.05495	1.7
69.07053	1.0
71.05018	0.6
79.05461	1.7
81.07043	1.3
82.08488	0.6
84.11987	0.6
91.05471	1.7
93.07041	1.8
95.04353	0.7
95.04955	12.3
95.08591	1.1
97.02658	0.7
97.06524	1.9
100.82397	0.8
105.07039	3.4
107.08595	4.0
109.06491	4.4
109.10085	0.7
117.07016	1.8
119.08560	2.2
121.10158	1.2
123.04158	3.8
123.08070	0.9
129.06921	0.7
131.08554	2.6
132.24515	0.8
133.06490	1.5
133.10149	1.0
135.08049	1.6
137.93567	0.7
138.69337	0.6
143.08543	1.2
145.10103	3.3
147.07967	0.7
149.09618	2.4
163.11134	0.7
171.11555	0.8
173.09552	2.6
189.12682	0.7
191.10657	1.2
223.09384	100.0
224.09657	1.6
238.02579	0.7
246.61600	0.7
271.13010	57.9
272.13309	1.5
329.80594	0.8
345.16681	70.7
346.17017	2.3
419.15247	0.7
467.20499	0.8
471.23401	0.9
479.20425	0.7
545.27057	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57846	2.1
53.03942	4.6
55.01877	5.9
55.05509	38.6
56.00990	2.6
56.47180	2.2
57.03432	12.1
57.07090	6.0
65.03922	5.1
67.05500	96.0
69.03413	3.4
69.07069	28.7
71.04984	6.8
79.05487	62.1
81.03411	24.5
81.07051	100.0
83.04973	6.3
83.08629	22.1
85.06532	7.1
85.77524	2.4
88.79512	2.2
91.05480	56.9
93.07042	71.0
93.07606	4.5
95.04964	22.4
95.08018	4.4
95.08604	65.6
95.09209	3.5
97.06525	8.7
97.10168	25.4
98.22591	5.2
99.08087	2.1
105.04543	4.4
105.07024	50.6
107.04958	8.1
107.08588	43.1
109.06551	9.0
109.10143	25.6
111.08087	5.0
115.05460	4.3
117.07014	25.2
119.08574	45.0
121.06496	8.4
121.10137	31.5
123.08082	6.3
123.11681	11.3
125.09614	11.3
129.07014	14.7
131.08549	36.9
133.10138	33.4
135.08092	6.5
135.11687	14.0
137.09636	4.8
137.13235	6.3
141.07040	3.2
142.07776	2.9
143.08585	12.5
145.10129	30.9
147.11679	28.8
149.09642	7.9
149.13286	9.6
151.11197	3.1
151.67622	2.5
155.08569	6.7
157.10098	19.4
159.11707	22.6
161.13243	14.2
163.11206	4.7
163.14864	3.4
167.08588	2.9
169.10127	10.6
171.11618	11.3
173.13208	15.0
175.11226	5.3
175.14828	6.2
177.12756	5.3
181.10204	2.4
183.11777	8.1
185.13281	9.6
187.11243	2.7
187.14850	7.1
189.11142	11.4
189.16376	3.0
193.12285	10.0
195.11761	2.9
195.13805	2.4
197.13293	7.3
198.30722	2.6
199.14827	7.2
201.14812	5.7
201.16467	3.8
205.12335	2.5
209.13264	3.5
211.13188	2.9
227.12825	8.3
235.81322	2.7
241.19453	3.6
243.21153	4.3
247.17059	3.0
259.20554	11.6
261.22150	15.7
267.15903	18.8
269.17334	3.0
271.20605	4.8
287.23541	2.4
289.21582	4.1
299.23743	2.8
301.25156	17.0
317.24829	3.1
329.57169	2.2
333.24390	6.3
335.25937	13.5
417.31229	2.6
435.32651	12.1
453.33691	18.6
471.34534	15.2
509.36505	6.7
517.38873	6.5
527.37311	68.0
528.37872	3.9
545.38300	94.3
546.38757	6.1
556.52667	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
51.36481	1.3
52.02943	1.3
52.13979	1.5
53.03933	5.8
55.01853	4.1
55.05505	31.6
57.03433	11.3
57.07070	4.5
62.01176	1.5
62.70470	1.3
64.33380	1.4
65.03930	4.8
67.05496	85.7
69.03413	4.7
69.07062	22.5
70.55546	2.3
70.55887	1.6
71.04985	6.4
71.08616	2.0
77.03931	1.7
79.05482	69.9
81.03411	45.6
81.07047	80.0
83.04969	14.0
83.08610	22.9
85.02899	22.8
85.06540	3.9
89.06032	3.0
91.05469	66.9
93.07034	73.8
95.04957	29.7
95.08597	47.6
97.02844	1.6
97.06528	5.9
97.10178	8.3
99.08053	2.7
105.04522	6.3
105.07017	45.0
105.40813	1.3
107.04961	5.1
107.08593	32.9
109.06526	5.9
109.10147	17.3
111.04433	2.8
111.08074	10.3
113.05978	2.0
115.05427	2.0
117.06999	14.7
119.08562	35.5
121.06499	3.5
121.10126	33.4
123.08031	3.3
123.11693	7.7
125.09644	3.8
129.06985	10.9
130.07846	1.7
131.08549	29.4
131.09470	2.5
133.06496	2.1
133.08659	2.0
133.09105	1.8
133.10115	21.3
135.11678	19.3
137.09615	2.8
141.06993	1.7
142.07764	2.2
143.08600	5.0
145.10081	15.0
147.08035	3.6
147.11670	23.3
149.09581	8.1
149.13255	8.0
155.08589	2.6
157.10092	14.0
159.11652	11.4
161.13222	6.8
163.11195	3.3
163.14813	2.1
165.12741	3.9
169.10127	3.0
171.11621	3.3
173.13271	7.7
175.11203	12.8
175.14816	3.0
177.12793	1.6
178.91997	1.7
181.10146	2.3
183.11690	3.0
185.13326	3.5
187.14856	4.9
189.11238	2.5
193.12222	44.5
197.13303	2.8
199.14854	3.0
211.13257	46.0
212.13742	2.0
227.12740	3.3
243.21060	3.0
261.22165	9.9
267.15918	5.4
269.17377	1.6
285.22107	2.4
301.25345	5.6
317.24637	2.8
331.22223	1.6
335.25598	8.1
359.26044	2.1
363.25323	1.8
417.31772	1.6
435.32562	7.5
445.99472	1.5
453.33685	3.8
471.34601	5.7
509.36206	3.2
527.37286	26.4
545.38336	100.0
546.38892	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.0
54.14293	1.6
55.01867	6.6
55.05506	40.3
57.03431	13.4
57.07060	3.6
57.61317	1.5
59.94198	1.6
65.03920	4.1
67.05498	84.5
69.03429	3.5
69.07064	23.1
70.70963	2.8
71.04984	5.1
71.08621	3.8
77.03893	2.6
79.05485	53.0
79.75199	1.4
81.03410	28.3
81.07047	75.0
83.04982	7.2
83.08602	23.8
85.06540	5.1
89.06037	4.8
90.75888	1.6
91.05470	41.9
91.45519	1.5
93.07035	46.3
93.07600	3.0
95.04958	25.3
95.08596	49.7
97.06535	6.3
97.10158	28.7
99.08060	2.0
103.05443	1.8
105.04532	1.9
105.07013	39.8
107.04958	9.5
107.08579	34.9
109.06490	7.9
109.10139	25.9
111.08083	6.2
115.05440	2.2
117.07007	16.4
119.08559	34.0
121.06493	11.9
121.10123	22.5
123.08060	6.2
123.11671	12.3
125.09638	15.1
129.06996	10.7
130.91757	1.8
131.08556	31.0
133.06488	4.3
133.08598	4.3
133.10110	24.2
135.08014	7.9
135.11668	14.3
137.09639	3.7
137.13243	4.3
141.06958	1.7
142.07816	2.5
143.08577	12.0
145.06480	2.7
145.10101	21.9
147.08069	4.1
147.11673	17.3
149.09615	9.3
149.13284	8.2
151.11162	2.2
155.08572	5.5
157.10078	12.3
159.08092	3.9
159.11671	16.6
161.09645	4.3
161.13287	9.4
163.11200	5.5
163.14798	2.9
165.12871	1.8
169.10126	4.8
171.10330	1.9
171.11679	7.9
173.09683	2.2
173.13260	9.3
175.11217	4.3
175.14838	3.7
177.12708	2.4
178.55038	1.9
181.10104	1.8
183.11674	6.7
185.13268	6.7
187.11169	3.6
187.14838	4.5
189.11203	13.5
193.12234	11.3
195.11771	2.2
197.13231	3.3
199.14894	2.8
201.16382	2.0
209.13263	2.8
211.13162	2.3
211.14952	3.2
219.17528	2.1
221.13388	2.1
227.12730	17.4
233.15524	2.6
243.21016	3.4
245.13525	1.6
247.16850	2.8
247.20488	2.0
261.22098	18.8
267.15872	30.1
273.18420	2.0
279.23181	3.8
283.24304	2.1
285.22095	5.4
287.20190	3.3
299.23605	4.6
301.21857	3.7
301.25180	25.7
303.23236	2.2
317.24902	4.1
323.23273	1.7
331.30994	1.6
335.25726	20.5
357.28055	1.9
365.35037	1.7
403.23816	1.9
417.31705	3.8
421.25360	3.6
435.27286	3.1
435.32352	9.1
449.29068	2.0
453.33691	17.9
465.62302	2.0
471.34567	14.1
475.30328	1.9
486.29770	2.1
509.36600	3.4
527.37274	61.8
528.37805	3.4
545.38324	100.0
546.38702	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01851	5.8
55.05258	2.6
55.05505	41.1
56.62278	1.9
57.03428	12.3
57.07061	3.9
61.48215	1.6
64.62164	2.1
65.03920	5.1
67.05498	86.9
67.70222	1.6
69.03423	2.6
69.07058	34.2
71.04970	5.9
74.30807	2.0
77.03931	2.5
79.05045	3.9
79.05487	62.7
81.03403	14.5
81.07050	90.0
83.04962	7.1
83.08608	20.6
85.06530	5.4
91.05469	63.3
92.71536	1.7
93.07034	73.2
95.04958	20.3
95.08598	53.5
97.06513	7.8
97.10166	16.2
97.86798	1.9
99.08054	2.8
103.05431	1.9
105.04507	2.4
105.07019	56.9
107.04956	5.5
107.08593	40.7
109.06505	4.1
109.10147	28.7
111.08053	5.3
115.05441	4.7
117.07010	24.8
119.08575	46.9
120.08793	2.1
121.06489	3.6
121.10137	31.6
123.08086	3.1
123.11684	8.1
125.09652	10.9
128.06177	5.5
129.06985	19.5
131.08554	40.4
133.10115	34.5
135.08008	5.9
135.11682	20.0
137.09616	3.6
138.38084	2.0
139.11308	2.4
141.07007	4.0
142.07759	4.5
143.08548	21.7
145.10112	39.3
147.08083	2.8
147.11676	36.4
149.09599	2.7
149.13231	24.0
151.11200	2.4
155.08542	9.2
156.09186	2.1
157.10114	25.8
159.08041	2.4
159.11673	36.1
161.09680	3.2
161.13234	19.6
163.11122	4.3
163.14777	4.1
165.12769	3.5
167.08519	3.9
168.09497	2.1
169.10147	10.4
170.10899	2.2
171.11681	17.9
173.09570	3.3
173.13240	20.6
175.11320	1.9
175.14786	11.5
177.12764	6.1
181.10056	3.9
183.11693	11.8
185.13208	15.6
187.14793	9.9
189.11128	6.2
193.12259	3.9
195.11729	2.9
195.13753	5.1
197.13264	9.1
199.14734	10.1
201.12811	2.3
207.11768	2.1
209.13246	3.4
211.14928	4.2
213.16403	4.8
223.14807	3.1
225.16371	3.8
227.12732	8.0
233.15295	2.5
241.19495	15.9
243.21140	2.8
249.28984	2.1
257.18970	2.4
259.20514	31.9
261.22043	9.6
266.21136	2.7
267.15915	16.9
269.17349	19.2
273.22220	2.7
285.21985	3.5
287.20239	2.8
287.23624	2.8
294.20398	3.7
299.23920	2.2
301.22021	3.1
301.25107	10.2
303.23032	2.1
311.23886	2.2
315.23154	5.8
317.24869	2.4
325.25162	2.4
333.24146	16.0
335.26068	10.5
343.26035	2.3
362.26920	4.2
402.24481	2.4
407.33075	3.3
417.31381	6.7
423.32385	5.1
425.34052	6.6
435.32535	20.0
443.35071	2.5
453.33636	21.3
471.34723	19.3
497.36215	4.0
498.94458	2.0
499.37549	4.5
509.36191	8.4
515.36829	3.9
517.38910	19.2
527.37280	100.0
528.37189	5.0
545.38129	85.3
546.38397	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	546.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
55.05498	6.6
57.03438	3.0
57.07048	1.9
62.06078	1.8
67.05499	9.0
69.07046	6.3
70.39748	2.6
71.04993	2.0
71.08622	3.6
74.09722	2.9
79.05476	6.6
81.07049	14.8
83.04957	2.8
83.08621	4.3
91.05472	7.9
93.07037	9.6
95.04952	4.0
95.08604	10.8
97.06512	1.9
97.10181	1.7
98.98468	3.0
99.08073	3.6
105.07024	10.9
107.08570	6.9
109.06522	8.8
109.10143	5.4
116.29398	1.5
117.06991	3.8
119.08595	11.6
121.10117	4.6
123.04131	1.4
123.08051	13.7
123.11713	2.6
129.06967	2.3
131.08531	5.6
133.10118	9.8
135.08076	9.2
135.11676	2.2
137.09572	2.1
139.04512	1.5
143.08656	1.7
145.10112	5.2
147.11691	4.8
149.09592	2.7
149.13211	2.2
154.51900	1.5
157.10106	1.7
159.11700	2.9
161.09615	2.1
173.09581	3.1
173.13242	2.0
175.14807	7.3
175.49342	1.8
177.12740	3.6
179.14287	21.1
193.15891	1.7
205.15851	4.2
223.09349	24.1
224.09746	16.1
238.95088	1.4
263.20322	1.7
271.12985	6.6
272.13336	9.0
289.21664	5.9
303.26779	2.4
331.26297	11.2
345.12692	2.9
345.16678	40.6
346.17044	75.5
347.12592	2.7
349.27441	7.4
375.28967	2.6
387.28937	7.5
405.29956	100.0
406.30359	3.3
416.74084	1.7
503.27386	4.2
546.20087	2.6
546.27057	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	546.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.0
60.08161	6.8
67.05493	0.7
68.17985	0.5
69.12196	0.4
70.06581	0.5
71.07374	4.0
79.05511	0.4
84.28743	0.4
86.09700	31.7
87.51642	0.5
98.98443	3.2
104.10730	4.1
124.99990	21.2
155.75072	0.4
169.31552	0.4
184.07329	100.0
185.07628	0.7
191.00227	0.4
195.41988	0.5
204.21651	0.4
256.26251	0.8
288.77829	0.5
403.56851	0.5
528.34161	1.1
546.35480	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.8
57.03418	6.7
61.02914	5.9
67.05508	40.5
69.07038	7.7
79.05475	30.7
81.07056	47.5
83.08622	8.5
83.28004	6.8
85.02872	7.3
86.09653	6.6
91.05482	16.6
93.07042	39.0
95.08603	37.6
104.10729	12.4
105.07028	8.1
107.08585	29.2
109.10149	20.0
119.08553	15.3
121.10128	21.4
123.11765	8.5
131.08565	16.4
133.10127	8.1
135.11664	21.3
137.13217	13.1
145.10175	16.0
147.11688	8.4
149.13196	18.0
159.11679	8.8
161.13251	11.8
163.14799	8.9
166.34335	6.3
173.13225	22.4
184.07347	10.4
243.21022	40.4
261.22131	100.0
282.26324	6.0
335.25912	11.5
353.26974	31.4
475.58698	7.5
516.14777	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90838	3.0
55.05504	11.5
56.29159	2.8
57.03411	6.0
61.02914	8.6
67.05499	51.8
69.07063	11.0
70.30358	3.1
72.73605	3.5
79.05478	36.4
81.07047	67.2
83.08601	6.4
83.35190	3.1
85.02903	10.0
91.03949	10.2
91.05463	21.1
93.07028	32.6
95.04995	3.9
95.08598	52.8
97.02899	7.4
97.10123	6.0
98.23513	9.0
105.07006	16.0
107.08591	31.0
109.06566	3.9
109.10143	32.0
117.07033	7.5
118.29630	3.0
119.08573	17.5
121.10148	26.0
123.08055	7.4
123.11708	14.9
125.09587	3.5
131.08551	18.3
133.10072	13.4
133.35696	2.9
135.11678	26.0
137.13271	6.5
145.10150	15.8
147.11703	10.4
149.13251	21.7
151.14893	3.5
153.12781	3.8
159.11685	12.4
161.13266	9.7
163.14842	13.6
173.13245	11.9
177.16307	4.5
179.14305	11.1
187.14764	8.8
201.16333	5.6
214.16286	2.8
243.21074	39.0
261.22110	100.0
325.66910	3.3
335.25757	23.0
353.26801	29.7
405.29941	34.7
473.59692	3.0
546.37592	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	547.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	54.2
62.76374	3.1
69.03417	4.4
71.41568	5.3
74.59024	3.1
78.61102	3.3
84.96028	27.9
97.02874	3.5
98.97578	76.9
109.67982	3.5
110.97542	23.8
112.99115	4.1
116.98612	42.9
124.99157	5.3
126.71587	3.6
128.98589	34.0
131.00160	11.9
134.99623	12.8
139.97841	3.5
140.26158	3.2
140.98557	5.6
143.00182	16.5
144.98102	5.5
146.99631	18.7
152.98558	6.1
158.99687	13.7
161.01215	25.9
166.11182	3.8
167.00110	9.2
170.99602	18.8
177.00720	15.3
179.02248	8.0
185.01180	21.8
186.99054	4.3
189.00697	17.4
192.98102	4.1
194.99818	3.8
198.99150	4.6
201.00764	13.8
203.02206	25.3
207.01819	6.1
209.01270	4.0
210.99091	22.0
213.00713	15.5
219.01753	51.5
225.00732	5.2
227.02266	7.6
229.00150	100.0
231.01718	6.1
237.02765	70.2
239.02222	4.7
247.01160	18.7
249.02852	3.7
253.00073	5.4
253.03992	3.9
263.02225	4.0
271.01117	17.8
277.00238	4.5
279.01752	5.5
279.94958	3.7
285.02820	7.7
293.03214	4.6
295.01208	6.7
297.02823	9.8
303.03986	6.5
307.01227	6.0
313.02560	6.3
315.04068	3.9
333.04910	3.8
337.02173	8.0
351.05911	10.0
355.03351	47.1
373.04373	84.1
385.04367	4.8
391.05396	10.8
396.05853	3.9
403.05115	5.0
415.05243	5.6
469.06558	6.4
487.01056	6.2
487.07550	59.2
505.08594	81.6
523.09662	8.8
547.09656	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	547.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95314	0.4
57.85946	0.4
66.68279	0.4
69.34499	0.9
69.34882	0.7
81.03392	0.4
84.04492	3.4
86.11935	0.4
89.03927	0.6
116.74380	0.4
117.03345	0.6
130.04980	2.7
132.52669	0.5
135.04446	0.8
140.04639	0.6
140.92513	0.4
145.02821	0.5
147.07645	1.3
159.20999	0.4
161.02313	0.5
163.03888	5.9
171.06627	0.6
181.04982	4.0
190.97003	0.4
193.05090	0.4
203.03241	0.7
205.04709	4.3
213.53442	0.4
221.04478	0.6
295.22501	0.5
298.72473	0.5
305.69901	0.5
323.07581	0.7
325.09204	0.6
350.08478	1.0
365.08395	9.7
383.09433	7.8
385.12491	1.0
547.14191	100.0
548.14612	4.9
573.73090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.05501	0.9
57.03415	0.3
62.82507	0.3
64.73102	0.3
67.05486	0.9
69.07076	0.4
71.93168	0.3
72.99323	0.3
79.05507	1.0
81.03390	0.5
81.07035	0.9
83.04967	0.6
85.02904	0.9
86.05976	0.3
91.05470	0.8
93.07032	0.8
97.06516	0.4
97.21314	0.3
105.07028	0.3
119.08643	0.5
121.10132	0.4
125.09625	4.3
131.08609	0.4
138.49223	0.4
145.02824	0.5
146.06024	0.5
149.09665	0.4
159.43501	0.4
163.03922	0.5
167.07080	0.4
177.05499	1.0
177.16368	0.4
181.05008	0.4
187.03825	0.6
188.07076	0.5
239.08951	1.2
267.08505	0.5
275.20001	0.9
281.24722	0.6
293.21185	1.0
311.21985	0.5
367.25040	0.8
383.13187	1.5
385.25833	0.5
426.06631	0.4
431.13101	12.5
538.34601	0.4
546.33350	1.9
547.17804	100.0
547.32074	5.1
548.18079	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	547.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76876	1.2
69.77228	1.3
76.82866	0.5
81.03552	0.9
85.03027	0.8
109.03065	0.8
121.59953	0.6
146.46204	0.7
163.04190	2.3
170.51012	0.6
176.04559	0.8
185.06107	0.6
189.05522	6.0
190.06061	3.4
201.05432	1.6
202.77728	0.6
203.07080	3.8
216.07520	6.2
217.08315	2.9
219.06551	0.7
234.08612	5.8
247.13460	0.7
261.07574	2.1
276.09650	9.6
277.10788	1.3
279.14032	0.9
281.15549	1.2
295.41336	0.6
299.16370	1.3
320.09033	1.9
443.16653	4.2
455.16919	1.2
461.17847	5.2
487.18124	2.0
503.18820	100.0
504.19177	4.5
547.17712	24.7
547.34845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21859	8.8
69.22258	16.1
72.85878	3.8
85.04093	3.3
89.14503	3.8
91.05473	6.1
137.11597	3.5
183.60252	3.5
223.09386	10.0
239.06764	63.3
347.12418	89.8
357.87549	3.9
381.76981	3.5
411.25198	3.8
423.22491	4.2
547.22876	100.0
548.23370	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	547.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32072	4.1
93.55997	3.9
103.06341	3.3
109.22122	3.9
115.77386	3.6
239.04425	3.6
239.06786	93.4
239.09067	7.8
243.37320	4.2
347.12503	88.5
360.49228	3.9
547.22986	100.0
548.23090	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	547.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67509	2.1
69.18510	11.5
76.23582	2.0
98.23569	3.2
194.80170	2.2
197.03593	2.2
239.06796	33.9
284.87732	2.0
347.12515	100.0
348.12848	2.4
387.14496	2.2
493.24283	2.0
547.23004	58.2
548.23267	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11127	0.7
56.33367	0.6
58.99224	0.6
61.55450	0.5
63.85852	0.6
66.08380	0.6
67.05497	0.9
68.98429	0.6
73.09821	0.7
79.05486	1.0
81.03388	0.8
88.43763	0.6
91.05482	3.0
93.07035	1.0
95.04967	2.2
95.08595	0.8
97.06525	0.8
103.05417	0.7
105.07011	2.6
109.02643	1.1
112.09353	0.6
117.07021	0.7
119.04922	0.8
119.08560	1.5
119.26091	0.6
123.04149	1.5
128.06227	1.5
131.04881	1.0
131.08505	1.3
133.06444	0.9
133.10066	0.8
135.04330	0.7
145.06464	0.9
145.10129	0.7
147.07954	1.0
164.09291	0.7
171.07993	0.6
195.75018	0.7
223.09380	50.5
224.09718	1.5
229.08374	1.4
268.23032	0.6
269.11639	1.6
287.12466	8.0
289.10422	5.4
347.14606	100.0
348.14835	3.5
390.48248	0.6
547.25110	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	547.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
60.97386	0.3
63.57608	0.3
67.05505	0.6
69.03400	0.4
69.75739	1.1
79.05476	1.0
81.03416	0.6
81.07055	0.5
83.04984	0.5
85.02908	0.8
91.05473	2.3
91.25127	0.3
93.07043	0.9
95.04950	2.8
95.28953	0.3
103.05451	0.4
105.01830	0.3
105.07030	2.0
107.08576	0.4
117.07010	1.1
119.08556	0.9
121.06470	0.6
123.04211	0.5
127.03929	0.6
128.06212	1.2
129.07013	1.0
131.04898	0.5
131.08549	1.1
133.06432	0.5
133.10110	0.5
135.08080	0.4
143.08551	1.0
143.55403	0.3
145.04903	0.3
145.06462	0.8
145.10088	0.5
147.08012	0.7
149.06033	0.7
159.11624	0.3
161.09631	1.0
161.13034	0.3
171.08070	0.4
189.09129	0.5
223.09395	18.4
224.09700	0.4
257.11453	0.5
265.89166	0.3
269.11505	0.8
287.12485	11.6
288.12805	0.5
347.14606	100.0
348.14948	2.4
420.74454	0.3
547.24982	7.7
568.18146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54863	1.9
61.37362	1.8
67.05482	2.2
69.03418	3.4
71.04977	1.8
78.32798	2.3
79.05477	2.4
81.03450	2.3
81.07070	2.3
85.02895	5.2
87.00813	3.1
91.05481	5.8
93.07057	2.4
95.04939	2.8
97.75673	1.8
98.23460	2.8
99.35812	1.8
102.73476	1.9
105.01871	2.0
105.07042	2.9
117.07005	3.6
127.03909	4.4
131.08629	1.7
145.10123	3.1
149.02388	1.8
173.09586	3.5
223.09344	10.1
237.00595	2.3
239.08882	100.0
271.13043	7.1
287.12476	3.6
299.20016	6.7
331.15149	54.6
347.14685	22.5
436.61441	1.8
547.25208	16.9
547.32916	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	547.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87860	0.5
57.04922	0.5
57.67178	0.5
62.94176	0.5
67.05487	1.0
69.67809	2.2
79.05492	1.5
81.07039	0.5
83.01093	0.9
83.04982	0.7
85.06535	0.8
91.05472	1.7
93.07059	1.2
94.06145	0.5
95.04961	1.7
95.08623	0.5
98.23505	0.7
105.07015	4.4
107.04941	0.8
107.08601	1.0
109.06527	0.8
111.08093	0.6
117.06989	3.3
119.08593	1.4
123.08069	0.6
128.06245	0.5
129.07025	1.7
130.07701	0.6
131.08566	1.7
133.06485	1.4
133.10135	1.1
143.08548	2.1
145.10133	3.2
155.08513	1.5
173.09630	2.6
191.99503	0.5
239.08885	35.2
245.76581	0.6
253.11942	1.1
271.13019	15.1
331.15125	100.0
332.15646	2.7
436.36212	0.6
503.27884	0.9
527.86664	0.6
528.35773	0.6
547.25403	10.8
547.32983	2.0
548.25439	0.8
551.99567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	3.0
81.07040	1.7
85.02932	1.8
91.05467	4.1
95.04967	2.6
97.41124	1.8
105.07018	2.2
117.06983	2.0
120.08896	1.8
123.04170	3.1
126.04982	1.9
133.10124	2.0
143.08595	2.6
145.10155	2.2
159.08186	1.8
159.76952	1.7
180.22127	1.8
187.20708	2.0
211.11359	1.8
223.07191	3.8
223.09398	70.7
239.08911	5.1
257.11545	3.6
287.12500	5.9
317.13528	11.3
329.13580	6.0
331.15057	6.5
347.14621	100.0
348.14825	3.1
357.89603	2.0
395.11105	2.0
547.07581	3.0
547.17352	1.9
547.24591	12.2
547.35309	4.3
555.09436	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.0
56.16199	0.6
61.07846	0.6
67.05493	0.9
69.03421	1.8
69.43190	1.4
69.43579	1.6
79.05460	1.1
81.03391	2.5
81.07063	0.9
85.02879	1.4
86.09700	1.0
89.03917	5.5
91.05469	2.4
93.07034	1.5
95.04928	1.1
95.08617	0.7
97.02901	0.9
98.23479	1.0
105.07018	3.0
107.04919	0.8
107.08587	3.0
109.02846	1.5
109.10146	1.3
117.03374	16.4
119.08579	1.0
121.06456	1.0
121.10116	2.1
122.07256	1.7
122.50827	0.6
127.03960	0.8
131.08542	1.2
133.10121	15.2
134.03598	0.9
135.04361	1.5
135.08018	1.6
137.09607	8.6
145.02834	43.3
149.05972	6.2
149.13213	1.3
163.03860	1.7
173.13214	1.2
177.05453	100.0
178.05820	1.4
186.05423	1.1
191.14278	7.4
195.06494	1.6
223.90649	0.7
317.59796	0.7
321.09683	3.1
339.10803	5.1
396.62564	0.7
458.72580	0.7
517.38660	0.7
529.13831	0.8
547.25684	0.9
547.33221	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	547.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01858	0.4
55.05511	0.8
63.02378	0.6
64.25838	0.4
67.05492	2.3
69.03431	1.5
69.07056	0.5
71.03396	0.4
71.04987	2.6
79.05489	1.5
81.03411	4.8
81.07051	0.9
85.02908	0.9
85.06535	1.4
85.20248	0.4
89.03909	7.7
91.05472	5.4
93.07051	3.0
95.04967	2.6
95.08596	14.2
97.06525	12.1
99.04466	0.7
99.08105	0.5
103.05456	0.8
105.07027	9.4
107.08594	1.5
109.02882	1.4
109.10142	2.4
115.05405	0.8
116.06271	0.4
117.03368	22.4
117.07013	1.5
118.03725	0.4
118.07788	0.5
119.08537	2.1
121.06493	1.2
121.10143	3.3
123.08060	1.1
127.03909	0.6
129.07001	0.7
131.08557	7.0
133.10117	100.0
134.03593	2.1
134.10452	1.4
135.04417	1.3
135.08009	0.6
140.46614	0.4
143.08554	1.8
144.09303	0.6
145.02834	55.0
145.10091	2.5
146.00983	0.3
146.03194	0.5
147.11702	1.1
149.05966	7.7
149.09618	0.6
149.13248	1.3
158.10896	3.2
163.03911	0.5
173.13243	19.2
177.05450	95.7
178.05766	1.4
186.05489	0.5
191.14284	14.1
195.06464	1.9
275.19476	0.4
321.06726	0.4
321.09683	4.9
339.10696	4.3
349.17017	0.4
354.74042	0.3
547.30609	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	547.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	4.3
69.07060	3.3
69.11457	0.4
69.11880	0.5
69.48261	0.1
70.06586	1.8
71.07355	0.2
72.08141	0.7
84.08138	1.6
85.08919	5.5
86.09698	1.2
92.47729	0.1
99.10480	0.4
99.49917	0.1
114.12795	100.0
115.13123	1.4
122.23265	0.1
179.22331	0.1
223.61580	0.1
259.00333	0.1
367.59369	0.1
502.29010	0.3
547.34894	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25377	4.6
55.01839	4.6
55.05504	22.6
57.03424	13.3
63.95151	4.0
67.05502	100.0
69.07069	32.2
69.07384	6.1
69.59570	17.8
70.45206	4.2
71.20869	5.1
73.02912	13.7
76.83030	4.7
79.05481	50.8
79.41761	5.3
79.83813	4.5
81.07047	98.2
83.04983	7.3
83.08602	18.1
85.06577	6.4
89.06038	8.4
91.05470	35.0
93.07031	79.7
95.04966	11.8
95.08597	51.0
95.29449	6.2
97.06532	12.9
97.10156	6.5
105.07007	26.3
107.08572	49.7
109.10146	34.3
117.07032	7.9
119.08568	34.9
121.06512	9.8
121.10130	32.3
123.11707	14.1
129.06921	6.4
131.08569	20.0
133.08595	8.1
133.10152	20.1
135.11650	22.1
145.10127	11.5
147.11702	19.4
147.92587	4.5
149.13243	37.9
152.88603	4.4
157.10085	7.2
159.11707	15.7
161.13261	8.0
163.14861	7.2
165.12762	10.3
173.13222	8.6
175.14886	7.7
177.12744	6.1
187.14822	5.0
195.13866	14.2
196.12395	4.6
201.16360	6.2
209.18037	5.0
223.22314	5.4
259.26846	5.0
261.22086	39.3
267.15863	7.4
269.17419	45.2
287.23715	5.6
301.25119	5.8
301.41867	5.4
329.81970	5.9
335.25757	41.0
419.32831	5.7
437.33936	11.4
443.32675	4.9
455.35266	14.7
473.36249	13.1
502.73666	5.5
529.38849	87.5
530.39441	6.6
534.53949	5.1
547.39899	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.4
53.97575	1.9
55.01864	6.2
55.05507	4.2
55.19040	1.9
57.03425	6.3
61.02922	3.4
65.03925	2.1
67.05495	12.7
68.99785	2.6
69.03424	21.3
69.07048	2.2
71.04974	5.5
71.91379	1.7
73.02881	4.1
79.05485	8.2
80.28182	2.0
81.03410	16.2
81.07050	15.1
83.04978	10.8
85.02895	36.6
87.00831	12.7
91.05457	16.2
93.07023	14.5
95.04961	25.1
95.08588	10.8
97.02879	15.0
97.06524	6.3
99.04440	7.3
101.16517	1.9
105.01878	9.5
105.04484	2.1
105.07002	18.0
107.08583	12.3
109.02879	27.6
109.06510	18.4
109.10159	8.7
111.04415	9.4
115.05472	2.0
117.07005	6.9
119.08565	26.8
121.06493	7.2
121.10127	14.0
123.04411	42.9
123.08038	11.3
125.05930	2.7
125.09605	6.6
127.03909	28.4
128.06195	4.7
129.06987	6.8
130.07817	2.5
131.08548	15.7
133.06474	4.7
133.10089	5.1
135.04430	2.1
135.08034	5.6
135.11694	2.5
137.05960	24.7
137.09570	3.2
139.03889	16.8
139.11183	3.7
141.05446	9.9
141.06932	3.1
142.07753	4.2
143.08521	15.1
144.09222	2.7
145.04939	8.0
145.06435	7.4
145.10112	19.3
147.07979	14.7
147.11671	3.0
149.05946	2.7
149.09633	2.3
153.06961	2.6
155.07217	2.0
155.08517	8.7
157.10127	10.4
159.02873	7.0
159.08026	8.9
159.11674	9.3
161.05934	2.5
161.09569	4.7
161.13297	2.5
163.07503	2.0
163.11165	10.8
167.07118	2.2
168.09317	7.6
169.10161	3.0
171.08064	3.3
173.08078	5.1
173.09615	8.8
173.13274	7.1
175.07513	4.1
175.11066	2.3
179.38466	1.8
181.12181	9.8
183.11667	15.6
185.09607	2.9
185.13196	5.9
186.10281	2.2
187.07516	2.8
187.11157	9.2
189.09126	3.9
191.10648	5.5
191.14325	3.6
196.08830	2.7
199.11391	2.0
201.09100	2.7
201.12721	21.3
203.10583	4.7
203.14340	2.8
205.12218	4.0
211.11108	16.1
213.10272	2.2
219.13777	28.6
229.12215	83.5
231.04984	3.8
247.13274	100.0
257.12781	2.0
265.14325	50.2
281.10138	2.7
283.15448	3.7
313.11829	5.3
342.11987	6.3
373.14026	3.3
489.14850	2.6
517.14526	10.7
549.16895	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	548.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.3
55.05508	4.3
57.03430	7.7
58.98799	3.9
67.05489	7.8
69.03422	31.2
69.39151	16.6
69.78721	3.9
70.06569	5.2
71.04979	9.5
73.02916	4.9
73.74712	4.0
79.05476	11.4
80.12809	3.9
81.03404	32.1
81.07057	26.3
83.04972	5.9
85.02905	73.7
87.00820	27.2
91.05476	28.6
93.07044	17.7
95.04958	7.5
95.08633	8.8
97.02895	27.6
97.06554	5.6
99.04457	12.4
105.01817	21.4
105.07019	33.6
107.08580	11.7
109.02888	44.5
109.06512	7.1
109.10130	7.3
115.05434	8.6
117.07021	30.4
119.08564	25.7
121.06539	10.1
121.10107	6.2
127.03905	53.2
128.06232	20.4
129.01871	4.6
129.07021	31.3
130.07794	7.5
131.04987	5.1
131.08562	73.5
133.06427	9.8
133.10104	16.3
135.08083	6.9
141.07008	6.7
142.07770	11.6
143.08546	63.1
144.09213	4.6
145.04965	13.3
145.10115	73.5
147.04401	6.9
147.08101	6.2
147.11621	5.4
149.09607	10.9
153.06950	6.9
155.08537	31.0
156.09325	5.9
157.10077	31.5
159.02873	14.2
159.08070	12.1
159.11676	28.8
160.33664	4.6
161.09579	15.8
163.03879	6.6
163.11179	6.6
167.07021	5.8
168.09325	10.1
171.11671	12.0
173.09624	39.8
173.13206	47.0
183.11690	57.0
185.09569	4.7
187.11153	17.8
189.04041	4.9
189.09026	11.8
189.12769	10.6
191.10609	7.8
201.12749	86.1
203.10623	10.0
211.11128	6.8
217.12231	18.8
219.13800	43.4
224.55907	5.2
229.12193	67.5
231.04913	8.9
235.13304	6.9
247.13284	100.0
265.14304	48.8
306.34946	4.1
370.62631	6.9
443.24756	4.4
451.28815	4.9
531.00787	4.6
549.15656	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	548.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01863	7.2
55.05510	8.8
57.03428	3.6
61.02928	2.3
65.03939	4.0
66.59457	1.6
67.01849	2.1
67.05499	10.4
68.99789	13.0
69.03423	24.9
69.07076	4.4
69.77003	1.8
69.77337	6.6
71.04983	3.6
79.05498	7.4
81.03402	21.0
81.07056	25.2
83.04967	5.2
85.02901	28.8
87.00832	9.6
91.05478	9.4
93.07021	14.6
95.04949	11.1
95.08607	21.9
95.57721	1.7
97.02883	17.3
97.06501	2.5
97.10168	18.7
99.04452	6.1
103.05457	2.4
105.01842	10.4
105.07030	14.4
107.04984	4.5
107.08585	12.4
109.02879	30.0
109.06532	7.8
109.10149	37.9
111.04432	20.6
111.11710	1.9
115.05420	2.2
117.06999	5.1
119.08565	10.4
121.06499	6.5
121.10135	8.3
123.04425	12.1
123.08086	3.2
125.02371	6.1
125.06025	2.9
127.03918	28.3
129.01837	2.7
129.06993	5.1
131.08553	10.2
133.06485	3.4
133.10146	5.4
135.04413	2.2
135.08098	5.7
135.11685	2.9
137.02333	31.4
137.05974	15.6
137.09618	10.8
139.03896	8.8
139.11150	3.8
141.06989	2.0
143.08551	6.1
145.04964	8.1
145.06479	6.1
145.10114	9.8
147.08044	3.0
149.05972	5.2
149.09642	3.3
151.11197	2.7
153.05513	3.2
155.08563	5.0
155.10652	22.5
157.10156	4.9
159.02934	3.5
159.08089	9.3
159.11703	11.8
161.05916	4.3
161.09679	5.7
161.13257	2.2
163.03979	2.3
163.07591	2.6
163.11131	8.9
165.05446	2.0
168.09383	2.7
170.10805	1.8
173.09602	4.8
173.13313	9.8
175.07671	2.2
175.11197	2.0
177.05516	6.8
177.12871	2.7
181.04958	2.5
183.11681	6.3
186.10394	1.9
187.07553	2.7
187.11168	5.0
189.09059	2.0
191.07071	8.2
191.10710	5.1
191.14267	2.6
199.11282	2.6
201.12724	29.4
203.14378	3.0
205.12248	15.5
211.11220	4.0
213.03951	3.0
213.12749	2.9
219.13814	35.6
229.12242	29.1
231.04996	7.0
231.13821	6.2
247.13280	100.0
248.13631	3.9
249.05876	2.4
249.14767	1.9
265.14417	15.9
289.14560	2.4
313.14337	2.8
331.15173	2.5
373.15930	3.4
477.17487	5.3
495.18649	10.0
513.19409	4.1
548.20477	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	548.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	9.9
64.42790	3.7
67.05492	13.1
69.07069	3.3
69.16850	15.4
69.17263	8.3
79.05461	8.9
81.07049	9.8
83.04987	8.7
85.06557	3.5
91.05463	47.6
93.07033	17.9
95.04967	16.5
95.08602	9.8
101.13345	3.3
103.05456	3.5
105.03387	5.5
105.07024	58.2
107.04946	6.8
107.08570	10.7
109.06510	8.0
115.05416	11.3
116.06240	4.6
117.07008	63.8
119.08556	18.5
121.06515	8.4
121.10052	5.1
128.06203	17.0
129.06995	42.3
130.07779	11.9
131.08568	45.6
133.06470	4.9
133.10112	15.4
133.70555	3.4
135.08034	7.1
140.44110	3.2
140.80586	5.3
141.06949	7.7
142.07709	16.6
143.08542	42.3
144.09215	3.3
145.06596	3.9
145.10117	77.7
147.08014	10.2
147.11652	5.9
149.09656	6.8
151.07518	3.5
155.08549	18.2
156.09341	9.4
157.10117	27.9
158.07312	4.4
159.11810	8.3
161.09593	16.5
163.11160	6.6
171.08006	6.5
171.11673	8.4
173.09604	100.0
175.11148	12.7
175.14635	4.3
180.09396	4.4
185.13254	25.3
187.11121	6.3
189.12778	5.7
191.10655	19.4
195.11697	6.2
203.14293	19.5
213.12721	20.5
231.13774	47.9
233.11702	7.7
239.06937	4.2
249.14868	4.7
289.09915	3.4
308.63440	3.9
347.12604	12.3
348.12811	19.7
409.05374	3.6
424.44266	4.4
489.44437	3.6
517.54126	3.3
548.23260	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	548.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
56.05026	1.2
56.46690	0.4
57.03424	0.6
58.06338	0.4
58.06593	1.9
60.08158	17.4
60.67867	0.4
67.05511	2.7
69.07054	1.4
69.73461	1.8
70.06566	0.8
71.07369	6.9
79.05491	0.6
81.07054	2.4
83.08630	0.5
86.09698	48.4
91.05503	0.4
93.06996	0.5
95.08637	2.2
95.88691	0.4
98.98449	4.4
104.10733	100.0
104.84382	0.4
105.11079	1.0
109.10175	0.9
110.21889	0.4
124.24084	0.4
124.99996	28.5
163.01544	0.8
184.07323	100.0
185.07706	0.8
240.10123	0.6
240.33075	0.4
258.10992	1.5
259.22482	0.5
271.93549	0.5
296.01431	0.5
364.70139	0.4
365.30450	0.8
530.36078	7.6
531.36334	0.5
548.37054	23.0
549.37555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42599	0.5
55.01874	0.8
61.80584	0.6
65.03929	3.6
68.99776	6.5
69.03423	1.4
75.11412	0.6
79.01848	1.3
79.05470	0.6
81.03413	3.8
85.02899	1.1
93.03409	1.0
95.04950	0.7
97.02881	3.3
98.23455	2.7
105.03394	0.8
105.07030	0.6
107.01307	1.0
109.02875	1.3
111.04443	6.6
115.03936	0.6
115.05328	0.5
121.02853	23.5
123.04413	2.8
127.03885	0.8
133.02838	3.2
133.10025	0.7
137.02359	8.5
137.03372	1.3
137.05965	1.5
139.03889	4.1
139.05359	0.7
141.78291	0.7
145.02797	0.6
149.02327	92.7
150.02884	0.9
151.03854	1.4
153.06934	1.0
155.08553	1.5
157.02905	0.9
163.03891	1.3
164.69571	0.7
165.06995	18.3
167.03378	15.6
168.05843	0.7
169.05112	0.7
169.06467	1.6
175.04013	0.8
176.06207	1.2
177.01811	16.2
177.06967	1.3
177.80270	0.7
178.02559	0.7
179.03363	1.9
181.04912	1.6
181.06303	1.1
183.08052	1.4
185.05907	0.9
186.36880	0.7
187.03893	2.2
191.03392	0.9
193.04797	0.6
193.06442	11.1
195.02904	0.8
196.05080	0.8
197.01212	0.7
197.05965	3.7
203.04907	1.1
205.06445	2.6
209.04427	62.0
210.04807	0.8
211.02661	1.2
211.07555	3.4
213.01884	3.0
213.05405	1.0
221.05952	49.6
222.06290	1.3
223.07481	1.4
224.04639	1.0
225.05441	18.7
227.05498	1.3
231.04611	1.0
233.05978	1.7
237.00735	1.0
237.05460	1.5
239.06924	10.7
239.08948	1.0
249.05449	90.1
250.06050	6.0
251.06976	1.9
253.04971	8.2
255.01958	0.9
255.06467	7.1
259.03796	2.4
259.06119	1.4
261.05273	1.1
263.06683	0.6
265.04971	2.1
266.05692	1.6
267.06476	23.7
268.06842	1.1
269.04355	3.2
277.04926	45.7
278.05548	4.8
279.06299	4.4
280.03662	1.1
281.04379	8.5
282.05176	2.4
285.09048	1.5
289.04791	0.6
294.04922	3.0
295.05963	100.0
296.06342	3.9
297.03864	2.6
303.06708	0.7
305.04324	1.6
307.06073	1.9
308.02954	1.2
309.03824	0.9
313.08490	3.7
321.03864	3.4
323.05441	50.1
324.05817	1.9
325.08603	1.2
329.07898	1.1
333.04160	0.9
335.05588	2.3
337.06979	1.4
340.07336	0.9
341.06531	11.5
342.08755	0.7
345.07520	1.5
347.05511	1.0
351.06320	1.5
352.07520	0.7
353.07889	1.4
357.07504	0.8
359.09006	2.3
363.05103	1.4
369.07501	8.8
370.08035	0.9
371.08994	1.1
373.06711	1.4
379.05646	2.0
381.07269	0.8
387.08737	4.8
389.06384	0.7
396.06067	0.8
397.06998	10.6
398.07669	1.2
399.08493	1.4
401.06491	1.2
407.05325	0.7
409.06735	0.7
414.07526	1.0
415.08044	6.9
417.05856	0.8
425.06476	6.7
427.08084	1.7
433.09244	1.4
435.04831	0.7
443.07541	15.5
445.08939	2.1
453.05783	5.2
455.07288	1.6
457.09305	1.2
461.08527	3.4
471.07083	31.7
472.07901	1.1
473.08707	2.8
475.10120	0.9
481.05472	2.4
485.08401	1.7
487.09869	0.9
489.08258	5.3
499.06570	10.1
503.09879	3.3
513.08014	2.3
517.07617	1.3
521.10663	1.8
531.09167	7.0
549.09717	4.6
549.22144	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1234
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
52.14949	0.2
53.93853	0.2
62.48598	0.2
63.51331	0.2
69.03360	0.7
70.24049	0.6
79.05446	0.3
81.03354	0.4
85.02822	0.5
89.03286	0.2
95.08558	0.3
97.02829	0.5
105.06959	0.3
109.02834	0.5
111.04417	0.5
119.08504	0.3
121.02715	0.3
123.07993	0.3
127.03889	0.4
131.04811	0.5
137.05876	1.1
149.02248	0.5
151.03810	0.3
151.07469	0.3
153.01756	0.5
165.06900	0.3
168.88628	0.3
181.04893	0.5
182.05238	0.4
191.06642	0.2
202.13031	0.4
209.04436	0.4
220.71823	0.3
221.05884	0.3
225.05487	0.3
247.13266	0.6
248.13554	0.8
249.05389	0.6
258.05215	13.9
259.05615	0.6
277.04932	0.3
286.04678	35.9
287.05093	1.2
295.05927	0.5
301.07031	100.0
302.07361	3.7
323.05646	0.3
341.06296	0.3
407.68683	0.3
463.12195	1.2
517.18597	0.8
549.12512	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1578
Annotation	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
Peak:m/z	Relative Intensity
58.99146	0.3
59.18097	0.3
69.65030	1.5
79.45388	0.3
84.38215	0.3
98.23432	0.4
112.20065	0.3
137.05934	0.7
147.04416	0.7
151.28186	0.3
175.03671	2.5
175.99806	0.3
180.10951	0.4
207.06528	0.8
235.76414	0.4
237.07364	1.3
242.92958	0.4
335.07397	1.1
459.12839	0.6
549.15735	100.0
550.16071	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	549.1578
Annotation	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
Peak:m/z	Relative Intensity
61.32664	0.2
70.06585	0.3
79.00159	0.2
104.97152	0.2
105.07052	0.3
107.04928	0.3
118.41238	0.2
121.02879	0.4
123.04427	0.3
133.06490	0.9
134.06876	0.3
137.02335	0.4
161.09659	0.3
163.03929	0.3
175.03842	0.3
256.07236	0.2
281.04462	0.6
295.06100	0.3
313.14145	2.6
314.14407	0.3
369.07782	0.5
399.08661	0.8
411.07800	0.3
415.08646	0.3
424.27585	0.2
443.06946	0.2
471.69830	0.3
472.07239	0.3
475.11469	0.2
476.20181	1.8
489.08273	0.3
489.20395	1.0
521.11389	0.4
531.14758	3.8
549.15729	100.0
550.16034	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	549.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
55.02119	1.2
66.14677	1.0
69.03423	2.8
69.07012	1.0
69.62135	0.9
70.34736	1.1
70.35055	1.3
79.05506	0.9
81.03415	2.1
85.02905	3.5
87.00812	1.9
93.07043	1.0
95.04981	1.5
97.02905	1.1
98.23339	1.0
100.13110	0.9
105.07009	1.0
109.02847	1.7
119.08644	1.1
120.08934	1.0
121.10154	1.1
121.85780	1.0
123.04422	2.5
123.08066	1.1
127.03925	1.7
137.05959	5.3
137.09627	0.9
138.05518	1.1
139.03865	1.1
141.05467	1.1
146.06000	1.2
155.03809	1.1
159.11629	1.4
161.05992	1.0
167.07036	2.9
197.10764	2.8
198.07819	2.0
199.08667	12.1
201.12698	1.6
207.13829	1.3
211.08624	14.3
212.09396	4.9
212.11252	1.1
213.10176	15.1
214.07333	2.3
214.10927	3.4
224.09424	1.5
225.10187	16.5
226.07343	15.2
226.10863	7.1
227.08136	20.3
227.11623	6.4
228.08797	1.2
229.12285	2.8
230.12589	3.2
239.08095	1.6
239.11737	7.8
240.08908	3.1
240.12543	6.5
241.09679	18.5
241.13264	2.1
242.10426	19.0
243.11078	1.2
247.13300	3.9
248.13631	2.5
251.11623	1.6
253.09673	10.2
254.10455	3.1
255.11246	12.8
257.09241	1.0
257.09955	1.6
257.12823	21.9
265.14426	1.5
266.14764	2.8
267.11261	13.0
268.08484	2.6
268.12036	14.4
269.09180	3.9
269.12720	4.0
270.13339	1.6
271.10754	1.3
280.12152	2.9
281.09113	2.6
283.10748	1.8
284.11514	1.9
285.12344	4.1
286.09470	2.0
286.13104	3.1
295.10663	7.2
296.11478	16.0
297.12262	2.7
298.13300	1.2
299.10281	1.7
300.11014	1.3
313.11786	37.6
314.12527	16.5
315.13248	1.4
323.10223	1.9
341.11246	4.6
342.12051	61.7
343.12427	2.2
355.12991	1.5
356.13098	1.0
373.13730	5.9
374.14661	3.0
387.14478	2.0
395.56793	1.0
401.09692	2.6
411.11856	1.3
417.12778	1.9
429.12762	1.7
433.16125	1.6
443.14572	4.5
455.14374	1.2
457.12277	3.4
471.13760	5.6
473.15442	3.9
475.13730	1.3
489.14999	29.5
490.15094	2.5
499.13177	2.7
517.14484	100.0
518.14764	2.5
531.15552	2.6
549.17371	56.5
550.17010	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	549.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24772	0.8
60.64698	0.8
69.51958	4.4
98.46906	1.1
120.45713	1.0
141.31845	0.9
147.48640	0.8
185.04277	3.4
203.05283	1.6
309.07275	0.9
313.14056	100.0
314.14709	8.1
331.15155	1.6
387.17828	1.2
461.17731	1.8
476.20145	54.7
477.20468	6.1
494.68918	1.0
549.23047	63.1
550.23871	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86622	0.2
53.03936	0.2
53.59992	0.2
55.05521	1.1
60.81916	0.2
67.05489	0.6
69.03428	0.5
69.07066	1.8
69.12956	1.0
79.05482	0.3
81.03419	0.4
81.07057	1.3
83.08578	0.4
85.02889	0.6
87.00819	0.6
88.70640	0.2
90.78770	0.2
91.05476	0.4
93.07029	0.6
95.08601	0.6
97.02890	0.2
97.10159	1.3
98.23406	0.4
101.51740	0.2
105.01887	0.3
107.08578	0.4
109.02869	0.6
109.10199	1.0
117.07017	0.6
119.08624	0.3
121.06484	1.0
121.10113	0.3
123.11700	0.9
125.12661	0.2
127.03891	0.3
129.06989	0.4
131.08553	0.6
137.05963	3.5
141.07033	0.2
143.08548	0.6
145.06462	1.9
145.10141	0.4
147.08055	0.9
147.11707	0.2
149.09644	0.2
149.13292	0.5
151.03885	0.2
151.07478	1.0
153.05495	0.2
155.08612	0.2
157.06470	0.4
157.10155	0.7
159.02834	0.2
159.08060	1.6
161.05966	0.3
161.09644	0.8
163.07530	3.3
170.10916	0.3
171.08058	1.0
171.11719	0.3
173.09627	0.5
175.06067	0.2
175.07533	0.8
175.11197	0.5
176.08264	0.4
177.09108	3.0
178.09370	0.2
179.06941	0.2
183.08244	0.2
183.11455	0.2
185.09615	1.0
185.13303	0.2
186.10423	0.2
187.07529	3.7
189.09077	3.2
191.10672	0.6
199.11203	0.5
201.09175	0.5
203.10669	11.2
204.11075	0.3
213.09119	0.6
215.10678	2.7
216.11391	0.5
217.12262	0.8
227.10794	0.3
229.12230	0.8
231.04721	0.2
255.17401	0.4
257.15448	0.5
271.16852	0.3
272.17688	9.2
273.18469	6.2
274.18719	0.2
283.16925	0.6
301.17963	100.0
302.18304	3.6
325.17914	0.2
452.56018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.233
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78164	0.3
62.81213	0.3
63.98344	0.3
64.12774	0.3
69.07050	0.8
70.11032	0.9
81.03410	0.5
81.07056	0.4
85.02877	0.5
105.07005	0.4
109.02839	0.4
109.10175	0.5
127.03906	0.4
137.05980	1.0
151.07513	0.5
155.08507	0.4
163.07492	0.5
171.11626	0.4
176.56474	0.3
178.06223	1.2
187.07520	0.8
193.79359	0.3
201.09096	0.6
207.35397	0.3
215.10631	0.4
217.52834	0.4
225.61746	0.3
227.10515	0.3
241.12221	0.7
243.50989	0.3
256.14551	6.3
271.16895	20.9
272.17392	0.4
272.95432	0.3
283.16907	0.4
301.17950	100.0
302.18155	3.1
336.23511	0.3
395.69278	0.3
401.93286	0.4
453.21432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99321	4.5
72.96493	4.7
95.04960	11.4
131.08492	4.6
153.22046	5.6
191.74353	4.9
241.06352	5.6
241.08453	38.5
325.10287	6.0
347.12567	80.1
348.12933	8.1
349.12540	22.4
417.42514	5.5
526.64771	5.3
549.23676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04555	3.0
69.64546	0.9
69.75441	1.9
69.75794	2.2
81.07005	1.4
83.04953	0.9
91.05453	1.6
93.07031	2.1
93.13073	0.9
95.04976	6.2
95.08605	0.8
96.21803	0.8
96.72656	0.8
98.23423	1.1
105.07020	3.8
107.08581	1.7
109.06496	2.0
117.06946	0.9
119.08534	1.1
127.03983	1.1
131.08539	2.6
133.06445	1.2
133.10104	1.2
141.05209	5.5
145.10072	2.8
183.06308	6.8
184.07266	1.2
241.10451	100.0
253.70952	1.0
271.13031	10.2
283.11511	58.2
289.13950	5.8
331.15094	18.6
405.63132	1.0
534.72809	1.0
549.26752	29.2
550.27319	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19488	1.9
69.19891	1.0
73.61667	0.5
79.05469	1.1
81.07027	0.7
83.04982	0.5
83.42453	0.4
91.05452	2.4
93.07017	1.5
95.04924	1.4
98.22624	0.8
101.05940	0.6
105.07047	2.8
107.08564	0.8
109.06462	0.6
115.05455	0.8
117.07038	2.1
119.08581	1.1
123.04114	0.5
128.06204	1.2
129.07005	1.0
130.07761	0.4
131.08571	2.0
133.06491	0.8
141.05202	6.5
142.07767	0.8
143.08510	1.5
145.10065	2.5
147.08031	0.5
155.08455	0.8
171.08028	0.5
173.09599	1.9
176.07755	0.4
213.12770	0.5
223.62531	0.5
241.10445	100.0
242.10760	2.0
271.13019	6.2
279.63892	0.5
331.15137	42.6
332.15448	2.0
385.18771	0.4
498.28003	0.4
549.18134	1.1
549.26672	21.1
550.27063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76723	0.8
52.32221	0.8
53.03954	2.1
55.01867	1.2
55.05507	50.0
57.03426	1.7
65.03924	1.1
67.05494	1.8
69.03419	1.6
69.07083	1.5
70.37476	2.1
71.04974	2.0
79.05484	8.3
81.07048	16.5
83.04973	100.0
91.05468	16.7
93.07035	9.4
95.04962	8.4
95.08620	4.8
97.06528	1.0
99.52589	1.0
101.06010	1.8
103.05473	1.4
105.07017	28.5
107.04943	1.3
107.08579	11.9
109.06508	5.3
115.05431	4.1
116.06248	2.1
117.07030	10.8
119.08559	11.8
121.06479	3.6
121.10133	2.2
123.08065	1.5
128.06195	11.5
129.06978	17.0
130.07790	4.8
131.08563	23.7
133.06464	3.5
133.10135	8.3
135.08061	5.9
141.06955	4.3
142.07770	10.8
143.08546	40.2
144.09288	1.6
145.06474	4.0
145.10106	66.3
146.10461	1.2
147.08018	5.7
147.11676	3.2
149.09601	13.0
151.07553	1.9
153.06992	4.2
154.07790	2.2
155.06084	1.2
155.08543	24.1
156.09334	5.1
157.06535	1.7
157.10112	31.6
158.07277	1.5
159.08041	2.4
159.11687	9.5
161.09596	16.1
161.13266	2.8
163.11195	1.4
165.06998	9.0
166.07706	1.1
167.08560	3.2
169.10071	5.5
170.10904	3.7
171.08018	4.4
171.11664	10.0
172.08803	1.6
173.09602	40.9
173.13251	1.3
175.11150	3.9
175.14757	4.3
179.08495	1.0
180.09299	8.2
183.08020	1.4
183.10144	5.6
183.11710	2.4
185.09560	1.9
185.13235	35.7
187.11201	4.6
189.09093	2.0
189.12729	3.8
191.10661	3.8
192.59392	1.0
195.09825	1.1
195.11647	21.7
198.10371	2.8
201.11136	0.9
201.12727	4.4
203.14308	17.9
213.12720	54.9
214.13054	2.1
219.13786	3.7
231.13773	99.8
232.14107	2.1
249.14844	4.4
251.67921	0.9
313.17853	1.5
331.19052	3.0
349.20157	5.6
414.05325	0.9
488.37506	1.0
549.30707	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	549.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03475	2.6
57.07065	2.9
66.59098	2.3
67.05489	3.9
69.07063	16.7
69.64255	5.3
69.64649	5.3
71.05004	3.7
79.05479	5.6
79.80820	2.2
81.07037	5.7
83.08589	4.1
86.21450	2.6
86.70637	2.5
91.05490	4.5
95.08584	12.1
98.23485	3.6
101.91103	2.9
105.07013	7.6
107.08618	3.2
109.10176	5.8
117.07005	4.3
119.08549	5.9
121.06487	9.3
123.04409	7.5
125.13274	12.0
131.08563	3.4
133.06458	4.3
135.08037	15.4
137.05957	27.0
143.08543	7.2
145.06471	11.0
145.10068	7.9
147.08020	11.7
149.09616	5.0
157.10141	7.0
159.07991	5.3
161.05920	2.9
161.09566	4.7
163.07462	3.7
163.11166	10.8
165.09097	55.4
171.11627	6.1
173.09607	11.6
174.66382	2.4
175.07532	6.2
175.11200	4.7
183.11765	4.7
185.13237	4.4
187.11160	5.1
189.05507	5.4
189.12604	2.9
191.06964	17.6
199.11211	3.0
201.12729	8.7
203.10773	3.8
205.12186	17.3
213.12691	3.8
215.14531	3.6
217.12199	6.2
219.10103	3.8
221.09666	2.9
221.11740	4.1
229.12221	31.5
231.10106	4.7
241.19495	100.0
245.11763	5.7
247.13348	8.4
255.17505	3.2
257.11670	10.7
267.10721	2.9
275.16339	3.8
277.15515	3.1
285.22083	15.2
297.18381	8.1
297.21997	9.1
299.23630	4.2
323.16348	5.0
339.23010	3.1
351.15918	24.8
365.17285	4.9
375.19351	2.7
393.20599	3.9
415.22568	2.6
471.28549	5.5
485.33878	4.8
489.29996	8.1
513.33533	11.1
531.34491	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	550.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.4
63.50999	1.1
69.03421	4.3
70.91113	1.1
79.05506	1.4
81.03434	1.0
84.96516	1.0
85.02901	14.1
89.03882	2.7
91.05773	2.0
95.01328	2.0
97.02887	3.0
107.04945	1.1
108.17629	1.1
116.56483	1.1
117.03369	3.2
120.59741	1.2
123.04385	1.3
124.38632	1.3
127.03967	1.6
131.04936	1.7
135.04399	11.6
138.03085	2.1
139.03876	2.7
142.72823	1.3
145.02837	8.8
145.04971	1.7
147.04381	3.9
149.02319	2.7
153.05446	100.0
154.05800	1.3
159.04417	1.4
163.03879	98.3
164.04272	1.5
175.03903	2.5
177.01845	3.8
177.03975	2.0
177.05455	2.0
181.04935	3.7
187.03853	2.8
189.05498	2.0
191.03424	2.6
195.05167	1.0
195.06508	47.6
203.03366	49.9
204.45145	1.1
205.04916	6.0
215.03291	8.0
225.04268	3.2
229.04842	2.6
231.02893	8.1
233.04478	3.6
237.09854	1.1
239.09477	4.0
257.04239	1.3
261.03915	6.7
275.05560	2.0
279.05032	12.3
291.05014	11.9
303.04785	2.3
321.05991	10.9
339.07059	61.0
340.07397	2.2
357.08160	2.1
369.12109	1.3
371.09714	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	550.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01868	4.3
55.05488	4.5
57.03432	11.8
57.07066	1.4
61.02919	5.3
61.33516	1.6
67.05509	2.8
68.99788	5.1
69.03062	2.5
69.03424	32.8
69.07066	1.5
69.89690	2.8
69.90027	1.7
71.01364	2.1
71.04991	3.0
73.02909	19.8
77.03922	2.1
79.05492	20.4
79.24590	1.2
79.34623	1.5
81.03414	19.3
81.07047	4.2
83.04961	4.0
85.02899	71.0
87.00819	29.6
91.05460	13.8
93.07040	73.4
95.04950	10.3
97.02885	43.1
99.04455	8.7
101.02338	1.7
103.03945	8.7
105.01863	36.5
105.04508	2.9
105.07042	6.3
107.08590	77.9
109.02873	20.9
109.06501	1.7
110.03671	1.5
110.74447	1.5
111.04432	5.0
115.03902	8.9
117.01846	1.7
121.06542	1.6
123.04437	5.7
125.02344	8.9
127.03904	51.9
129.01820	4.4
129.05466	2.0
132.06584	2.0
135.04372	1.8
135.11684	100.0
136.11949	1.4
137.05962	2.5
139.03897	3.9
143.03410	1.8
145.04953	16.7
147.02856	5.3
149.05986	1.8
150.07523	3.1
151.03918	6.0
153.05434	2.0
159.02884	5.1
163.03896	3.0
169.04951	6.0
171.02866	2.6
177.05394	1.9
181.04961	5.8
187.06015	1.8
189.03952	16.3
193.05006	2.8
199.06006	3.5
205.04897	2.1
211.05969	2.3
213.03938	9.3
217.06972	3.1
223.05991	9.4
225.04240	1.4
231.04979	13.4
233.06653	2.1
241.07072	14.1
249.05911	7.8
273.06036	17.8
301.18124	6.8
302.18286	13.9
303.16187	2.5
303.19498	16.3
309.05960	2.0
323.05438	1.5
327.07068	5.8
363.09125	5.1
376.03555	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	12.0
55.05499	13.3
57.07068	12.4
67.05505	74.5
68.79339	7.2
69.03413	28.2
69.07055	28.7
71.04975	13.6
71.41276	8.1
79.05490	48.1
81.03409	28.8
81.07047	63.5
83.04982	13.0
83.08612	13.8
85.02911	39.2
87.00799	16.3
91.05469	33.6
93.07054	51.0
95.04947	19.2
95.08596	52.4
97.02882	11.8
97.06530	21.0
105.07021	28.0
107.08551	37.0
109.02861	21.6
109.10147	48.6
115.03931	14.7
117.06991	8.5
119.08565	42.5
121.10114	26.1
123.11682	33.1
125.05970	25.2
127.03908	24.5
129.05487	9.7
131.08528	9.2
133.10138	38.0
135.11662	18.9
137.09685	11.4
143.07008	32.6
145.04918	8.5
145.10130	10.8
147.08058	10.0
147.11690	22.7
149.13200	19.1
161.13318	9.2
163.03900	20.3
179.10715	17.0
184.07352	12.4
189.16374	99.9
193.12189	12.1
203.17888	9.0
207.17421	10.1
226.92451	7.1
231.04695	7.7
231.17487	19.2
239.09453	10.8
249.18488	80.4
256.56558	6.7
267.19476	42.7
298.07028	7.9
302.17377	7.5
303.19449	50.6
303.57663	7.9
312.08691	10.8
342.09717	100.0
367.81424	8.9
370.09048	40.5
402.96097	8.8
550.13043	90.9
550.20062	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	550.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05460	13.2
98.97539	14.5
151.07542	100.0
181.08597	59.2
182.39284	15.2
217.12256	19.7
267.66974	14.5
268.26022	14.5
322.83774	20.6
353.06039	15.2
354.78870	16.3
377.07980	15.0
385.20090	71.5
520.97528	16.6
550.24927	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	550.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.05508	28.9
63.31303	4.1
67.05484	15.3
79.05478	22.4
81.07060	33.4
83.04977	62.0
91.05471	65.4
93.07037	40.9
94.06552	5.2
95.04958	17.8
95.08598	22.4
97.06508	5.5
105.04517	4.8
105.07022	73.0
107.04957	6.0
107.08589	27.8
109.06506	13.7
115.05431	9.3
117.07018	50.3
119.08579	59.4
121.06468	11.9
121.10119	8.8
123.08067	6.5
128.06206	6.8
129.06982	30.8
130.07817	4.9
131.08559	100.0
133.10117	56.5
135.07991	4.9
135.11688	11.1
141.06937	6.3
142.07768	28.9
143.08531	28.3
145.10127	45.3
147.08032	7.5
147.11681	27.6
149.09589	5.7
155.08527	11.5
156.09326	7.8
157.10100	66.4
158.10918	4.3
159.07959	6.8
159.11684	36.4
161.09604	18.1
161.13232	9.3
163.11165	7.5
163.14729	5.4
169.10092	5.0
171.11684	9.3
173.09558	7.5
173.13263	24.2
175.11142	72.9
177.12724	6.9
182.10909	5.4
187.14810	27.1
191.14293	8.8
197.13254	15.9
215.14264	78.0
233.15323	31.2
242.29321	4.5
287.64648	4.2
304.06039	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	550.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12350	1.7
55.05507	9.6
57.07064	2.0
67.05506	10.3
69.07061	6.0
79.05495	12.7
81.07049	25.1
83.04955	14.1
83.08598	1.9
85.06526	3.8
90.38073	1.8
91.05463	21.1
93.07030	28.1
95.04947	3.3
95.08601	21.3
97.06510	5.7
98.23516	3.3
104.10726	2.3
105.04594	1.8
105.07017	44.5
107.05042	2.1
107.08583	23.4
109.06505	5.1
109.10161	6.5
117.06990	13.4
119.08562	43.4
121.06488	7.3
121.10127	13.3
123.08068	4.8
127.40025	1.8
129.07001	6.1
131.08548	20.4
133.10101	27.4
135.08084	2.1
135.11682	6.3
137.09665	1.9
142.07761	4.8
143.08562	9.9
144.09315	12.1
145.10062	8.7
147.11685	18.9
149.09634	2.3
149.13251	17.1
157.10101	18.3
159.11667	100.0
161.09550	3.9
161.13252	25.6
171.11726	4.2
173.13234	10.3
175.11250	3.3
175.14841	2.3
177.12729	48.7
187.14729	2.2
189.16383	23.3
191.14310	1.9
199.14795	22.3
217.15851	47.6
234.18387	1.9
235.16840	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	551.1028
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03940	2.1
55.01868	2.1
57.03433	1.3
61.02916	1.2
63.68317	0.1
65.03914	0.2
67.01851	0.2
68.99795	1.6
69.03423	6.5
69.67104	0.5
71.01350	0.2
71.04981	0.8
73.02915	1.9
74.73198	0.1
77.57625	0.1
81.03410	9.2
82.03715	0.2
83.01333	0.2
85.02897	12.5
87.00823	5.8
87.04451	0.2
91.03950	0.4
93.03394	0.3
95.04948	0.2
97.02886	4.4
98.22742	0.2
99.04448	2.6
103.57429	0.1
105.01856	3.0
109.02865	6.2
111.00796	0.9
115.03904	0.1
117.01830	1.1
121.02853	1.2
122.17846	0.2
123.04443	0.2
127.03904	9.4
129.01820	1.0
137.01291	0.2
137.02338	3.2
137.03389	0.1
145.04938	2.9
145.06186	0.2
147.02872	0.6
149.02319	0.4
153.01814	4.6
155.04877	0.2
159.02876	3.6
161.05963	0.3
163.03877	0.8
165.01826	1.9
166.02626	0.3
173.05991	0.5
177.04047	0.2
183.02853	1.0
183.04376	0.3
187.03886	0.3
195.02864	0.4
201.05447	1.6
205.04900	0.3
213.03847	0.2
219.06508	0.3
229.04918	4.3
230.05330	0.2
231.04951	1.4
246.05360	0.2
247.05847	0.7
254.16127	0.2
257.04413	2.5
260.77548	0.1
274.04602	0.7
275.05566	0.2
285.03922	1.5
302.04706	0.2
303.04947	100.0
304.05313	3.1
345.06100	0.4
346.41849	0.2
411.06784	0.2
507.68155	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	551.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26609	0.5
52.78404	0.5
52.88630	0.5
53.03951	0.6
54.81345	0.6
55.01875	2.2
58.11150	0.6
65.03943	1.7
67.05486	0.7
68.99792	1.4
75.04064	0.6
79.05499	1.9
81.03422	0.8
81.07051	0.7
82.04177	0.9
83.04940	1.3
91.05470	15.3
93.03370	0.9
93.07043	1.0
95.04951	7.5
100.11234	1.0
105.03374	1.2
105.04507	0.6
107.04945	3.5
109.02859	1.3
109.06506	2.0
111.04424	2.5
117.03374	1.1
119.04929	8.3
120.67655	0.6
121.02879	0.9
121.06491	11.2
121.10179	0.6
123.04412	33.0
126.03118	7.9
131.01218	0.6
131.04916	1.0
133.02800	3.9
134.03645	0.7
135.04390	4.5
137.02315	4.1
137.03275	0.9
137.05981	7.8
139.03877	32.7
139.07570	1.2
140.04623	1.2
141.05452	6.9
141.06558	0.6
141.06924	0.5
147.04399	4.9
149.02354	0.8
149.05957	4.8
150.03102	15.0
151.03893	7.9
152.04669	15.1
152.05930	1.2
153.05450	8.2
153.06929	3.6
154.02600	3.5
159.04385	0.9
161.02313	1.1
163.03879	5.8
165.01781	1.7
165.05455	33.1
165.06976	16.3
167.03407	1.0
167.07024	27.5
167.08467	1.6
169.04941	88.9
170.05344	1.2
175.03877	2.3
176.06136	1.0
177.01881	0.8
177.05403	1.6
177.06978	1.6
178.01039	1.3
178.02586	20.7
179.03313	1.2
181.04913	8.4
181.06477	5.2
183.06516	12.3
183.07993	0.6
183.41637	0.6
187.03920	2.8
191.03351	1.8
193.04939	43.7
193.06479	7.9
195.08051	1.6
196.03601	1.6
197.04340	1.0
197.06062	4.2
199.07483	1.3
203.03336	4.8
205.04816	1.2
205.06482	3.5
209.04358	1.6
209.05954	2.1
211.05971	100.0
212.06291	1.8
213.01820	0.8
213.05458	0.7
221.05943	33.9
221.17867	0.7
222.06310	0.9
223.07503	2.7
225.05429	13.2
227.07008	1.4
231.02817	1.5
233.05869	3.1
235.07571	0.9
237.05492	1.0
238.06259	0.8
239.06996	8.9
247.07472	1.0
249.05434	39.8
250.06088	3.3
251.07092	5.5
252.04117	1.4
253.04913	6.0
255.06490	33.6
256.06659	0.9
259.03775	2.8
261.05423	1.3
263.07047	1.4
265.05014	0.9
266.05640	0.9
267.06479	17.0
269.04562	1.0
269.08069	1.6
271.05887	1.7
275.07022	1.1
277.04904	28.0
278.05685	3.0
279.06467	7.2
281.04352	3.7
281.08130	0.9
283.05786	0.9
285.07489	2.0
286.08325	1.4
291.06421	0.9
294.05096	1.2
295.05972	70.5
296.06317	2.9
297.04053	1.9
297.07504	17.1
299.09106	4.5
301.07184	0.8
303.06378	1.3
303.16223	1.1
303.19522	19.7
305.04385	1.4
307.05878	1.4
309.07553	1.7
312.06342	1.0
313.06931	3.8
319.06229	1.4
321.07516	3.8
323.05469	46.6
324.05789	2.2
325.07022	15.8
330.07248	1.2
337.06866	2.4
339.08636	2.6
341.06494	11.4
343.07816	1.1
347.05313	2.4
349.06891	2.0
353.06229	0.9
365.06458	5.4
375.04517	0.9
393.06009	2.9
399.08005	0.8
441.09290	2.1
459.10428	1.1
461.12476	0.8
463.09418	0.7
477.11023	0.7
484.25143	0.7
487.10245	0.7
551.03802	0.7
551.11627	4.3
552.44788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
53.72822	0.2
60.59595	0.3
67.95263	0.3
69.03420	1.1
71.05981	0.3
71.06324	0.2
79.05490	1.3
81.03414	2.8
85.02901	1.5
85.06535	0.7
89.03909	5.5
91.05463	0.4
95.04965	0.5
97.02884	0.7
99.04459	0.4
107.04941	1.5
109.02857	0.7
111.84478	0.3
117.03370	6.6
119.08573	0.3
119.24551	0.3
123.04340	0.3
126.01127	0.2
127.03876	0.5
131.08540	0.5
135.04402	14.6
137.05989	0.3
139.03912	0.3
145.02834	10.9
147.04408	0.3
149.09636	0.4
163.03885	100.0
164.04240	1.6
167.07106	0.4
167.58049	0.3
181.04942	3.5
191.10614	0.4
209.11681	0.9
216.63339	0.2
227.12912	0.5
250.19731	0.3
285.07828	0.3
303.05130	0.6
307.08105	2.8
325.09122	4.9
332.64948	0.3
371.14636	0.3
455.88501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
55.05502	0.6
57.03432	0.2
57.07069	0.2
67.05496	0.5
69.03430	0.5
69.07059	2.0
69.77013	0.4
69.77367	0.3
79.05488	0.4
81.03394	0.3
81.07047	1.6
83.08616	0.2
85.02911	0.5
85.05575	0.2
87.00816	0.2
88.43282	0.2
91.05488	0.2
93.07021	0.4
95.04954	0.3
95.08590	0.8
97.02868	0.2
97.06523	0.2
103.05434	0.2
105.01822	0.2
105.07023	1.6
107.08584	0.5
109.02883	0.4
109.10116	0.8
112.58662	0.2
119.08570	0.5
121.06502	1.0
121.10109	0.3
123.11698	2.5
125.05952	0.2
126.76418	0.2
127.03912	0.4
131.08546	0.3
133.06473	5.6
133.10109	0.5
134.06784	0.2
135.11679	0.3
137.05963	5.3
137.13208	0.3
145.06480	0.5
145.10112	0.2
147.11673	0.3
149.05968	0.4
151.03925	0.4
151.07532	2.9
157.10161	0.5
159.02847	0.3
159.08047	0.6
161.05952	14.4
161.13223	1.3
163.03908	0.7
163.07623	0.3
165.05434	0.3
169.10106	1.0
173.09639	0.4
175.07536	0.8
177.05447	0.3
177.09108	0.5
179.07022	3.9
180.07782	0.3
183.11725	0.3
185.09563	0.5
187.07523	0.3
187.11195	0.3
189.08989	0.8
191.14322	0.2
197.09653	0.5
197.13335	0.2
201.09082	0.9
203.10674	0.6
211.11160	0.6
213.09056	0.2
215.10649	0.6
217.12178	0.5
219.10066	0.2
225.12692	0.2
229.12193	1.0
243.13853	0.2
249.64084	0.2
255.13895	0.2
255.19499	0.2
267.17383	0.4
275.19867	0.2
285.18414	1.1
303.19495	100.0
304.19843	3.9
326.10196	0.3
342.09457	0.3
342.89081	0.2
343.10086	0.3
359.71399	0.2
384.04428	0.2
419.75461	0.2
551.13507	0.5
565.47479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.1
55.05488	0.3
57.03407	0.1
57.07046	0.1
67.05487	0.3
69.03403	0.3
69.07058	0.9
69.92536	0.1
69.92880	0.2
71.04989	0.1
79.05495	0.1
81.03390	0.3
81.07050	0.6
85.02867	0.4
87.00813	0.2
91.05454	0.2
91.51159	0.1
93.07030	0.3
95.08599	0.5
95.67279	0.1
96.77998	0.1
97.02843	0.2
97.10123	0.3
98.22698	0.1
102.82752	0.1
104.81464	0.1
105.01869	0.1
105.06992	0.3
107.04906	0.1
107.08551	0.3
109.02869	0.2
109.06455	0.1
109.10161	0.3
112.85906	0.1
117.07028	0.1
119.08558	0.2
121.06509	0.5
121.10107	0.1
123.11664	0.2
127.03866	0.3
129.06979	0.2
131.08534	0.4
133.10138	0.1
135.08011	0.4
137.05959	1.3
143.08522	0.3
145.06464	0.5
145.10085	0.2
147.08031	0.6
149.05951	0.1
149.13202	0.2
151.07503	0.7
151.25850	0.1
155.08458	0.2
157.06482	0.1
157.10100	0.2
159.02844	0.1
159.08028	0.6
159.11699	0.1
161.05927	0.2
161.09579	0.5
163.07507	1.3
169.10085	0.2
170.07175	0.1
170.10847	0.3
171.08023	0.3
171.11702	0.1
173.09593	0.7
174.10387	0.2
175.07533	0.5
175.11171	0.3
176.08269	0.6
177.09059	1.0
179.06863	0.1
180.07755	0.1
183.07954	0.1
183.11603	0.2
184.07286	0.1
185.09645	0.5
187.07506	4.7
187.11125	0.4
188.08107	0.2
189.09077	1.7
189.12682	0.1
190.09833	0.2
191.10643	0.2
197.09601	0.3
198.10359	0.2
199.11151	0.6
201.09109	0.5
201.12679	0.1
202.09856	0.2
203.10638	12.4
204.11060	0.5
215.10638	3.6
216.11322	0.7
217.12114	0.3
229.12209	1.1
231.17397	0.1
243.13879	0.1
243.17221	0.1
244.17973	0.1
255.17332	0.4
257.15335	0.8
271.16913	0.5
272.17661	11.9
273.18356	2.0
274.18710	0.1
285.18384	0.5
303.19485	100.0
304.19833	3.5
418.77899	0.1
515.40729	0.1
551.24744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94426	0.2
63.47688	0.2
81.03404	0.5
85.02909	0.4
87.00866	0.3
91.05482	0.4
93.07011	0.6
95.08593	0.3
98.22684	0.5
99.04445	0.2
105.07022	0.5
107.08571	0.4
116.26917	0.2
119.08549	1.1
121.06451	0.3
121.10139	1.0
124.17789	0.2
135.08080	1.1
137.05981	1.9
145.06406	0.3
145.10089	0.3
147.11603	0.3
159.08099	0.3
163.07515	1.1
164.08328	1.0
169.10149	0.3
177.09125	0.5
185.09775	0.3
185.17534	0.3
187.07391	0.4
197.09801	0.3
199.11115	0.2
201.09114	0.3
202.09805	0.3
203.10646	0.5
215.10707	0.4
227.10680	0.5
257.15393	0.6
269.15265	0.5
270.16235	0.4
274.21069	0.2
303.19516	100.0
304.19836	4.5
304.23041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87889	1.0
63.73087	0.9
67.80701	0.9
69.03437	1.0
69.07076	1.1
84.79661	1.0
86.09685	1.3
97.02882	1.2
98.22599	2.3
104.10718	1.9
125.02835	0.9
137.05933	1.5
163.07394	1.1
169.04863	1.1
184.07355	2.3
187.07552	4.6
189.09221	1.5
203.10681	13.0
215.10703	4.1
229.12228	1.2
272.17682	13.9
273.18347	2.3
303.19525	100.0
304.19858	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	551.2826
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
60.11937	0.6
60.48566	0.6
65.26331	0.6
83.45210	0.5
98.22617	1.3
102.65907	0.6
109.10233	0.6
110.87907	0.6
207.25864	0.6
209.67377	0.7
250.61848	0.6
302.58655	0.6
309.10977	0.6
351.11935	0.8
389.23090	1.9
551.28210	100.0
552.28552	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	551.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97157	0.5
53.03940	1.0
54.56946	0.5
55.01865	1.1
55.05505	33.8
55.24585	0.5
55.49483	0.5
57.03423	1.0
57.07072	4.0
59.04990	0.6
65.03915	0.7
67.05490	2.2
69.03423	2.3
69.07052	1.0
70.37543	1.3
71.04977	2.4
79.05479	5.9
80.05812	0.5
80.43020	0.5
81.07050	10.5
83.04971	99.2
84.05327	0.5
85.06538	2.9
91.05471	19.9
93.07039	8.9
93.93854	0.5
95.04955	8.2
95.08608	3.3
97.06511	1.9
101.05997	1.4
103.05474	1.3
105.04529	0.9
105.07018	28.3
106.07318	0.7
107.04943	1.5
107.08578	6.3
109.06528	2.6
111.08029	0.6
115.05437	6.3
115.07584	0.6
116.06213	1.7
117.07002	15.6
118.07362	0.7
118.36805	0.6
119.04922	0.9
119.08567	12.0
121.06510	2.4
121.10133	2.1
123.08047	1.1
127.05336	0.5
128.06204	17.3
129.06995	25.2
130.07797	7.0
131.04916	1.2
131.08554	27.9
133.06488	3.8
133.10118	8.6
135.08081	2.9
135.08932	0.5
137.05954	0.7
141.06961	8.9
142.07762	18.6
142.08879	1.0
143.08545	57.0
144.05743	0.6
144.09224	2.0
145.06468	5.1
145.10107	68.6
146.07336	0.6
146.10449	1.3
147.08029	5.2
147.11662	3.7
149.09616	6.8
151.07521	1.2
153.06982	6.9
154.07784	3.6
155.08536	54.0
156.09331	14.1
157.06427	1.6
157.10110	41.2
158.07256	2.0
158.10466	0.9
159.08058	2.6
159.11684	9.4
161.09616	13.1
161.13232	4.1
165.06987	16.2
166.07756	1.3
167.08554	4.1
168.09312	1.5
169.10120	6.8
170.10893	6.1
171.08002	7.1
171.11662	13.9
172.08678	0.8
173.09604	55.8
174.10188	1.3
175.07547	1.0
175.11177	4.3
175.14836	3.3
179.08514	1.8
180.09315	12.3
183.07957	0.9
183.10143	7.2
183.11687	5.4
184.08839	0.9
184.12442	2.3
185.09761	2.9
185.13232	47.1
186.13567	1.6
187.11116	3.7
189.09135	1.4
189.12727	7.4
191.10655	2.4
195.11661	29.4
198.10390	3.3
201.12794	3.7
203.14285	17.9
213.12718	84.8
214.13071	2.4
215.10690	3.0
219.13672	0.7
231.13774	100.0
232.14127	2.7
233.11685	1.3
249.14766	4.2
255.13780	0.8
271.54407	0.5
273.14816	6.9
291.15845	3.5
351.17990	1.2
351.21417	1.0
354.05505	0.6
376.99695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03947	1.2
55.01866	1.6
55.05506	22.7
56.05831	0.3
57.03428	1.0
57.07071	19.5
59.04975	0.4
65.03595	0.3
65.03935	0.8
67.05500	2.8
69.03418	2.5
69.07047	1.2
69.09150	2.0
71.04980	1.5
71.27444	0.3
77.03938	0.8
79.05482	8.4
81.03410	0.3
81.07047	18.7
83.04971	54.6
84.05299	0.8
85.02909	0.5
85.06541	3.0
85.68358	0.3
87.04463	0.3
90.72623	0.2
91.05467	18.8
93.07035	9.5
95.04956	9.2
95.08587	4.8
97.06520	2.1
99.04438	0.9
101.06017	2.1
103.05429	1.5
105.04523	0.8
105.07018	30.7
106.07352	0.6
107.04949	1.4
107.08582	11.1
109.06499	4.4
111.08086	0.4
115.05422	3.8
116.06247	1.2
117.07008	12.4
119.04913	0.8
119.06055	0.3
119.08563	13.6
121.06496	4.6
121.10130	2.1
123.04385	0.3
123.08044	1.9
125.05976	1.1
127.05376	0.3
128.06207	13.1
129.06985	19.5
130.07784	5.7
131.04887	1.1
131.08553	24.8
132.05658	0.3
132.08902	0.5
133.06474	3.5
133.10123	9.9
135.08034	4.3
135.11690	0.7
137.05943	0.9
137.09625	0.3
141.05402	0.3
141.05817	0.4
141.06952	5.4
142.07767	11.8
143.08546	47.3
144.05688	0.5
144.09372	2.3
145.06477	4.2
145.10106	71.7
146.07245	0.8
146.10481	1.2
147.08038	5.9
147.11667	4.0
147.27473	0.3
149.05923	0.5
149.09598	11.5
151.07518	1.8
152.06140	0.4
153.06970	3.0
154.07764	2.5
155.05989	1.2
155.08534	24.4
156.09332	7.3
156.49611	0.3
157.06514	1.0
157.10109	26.8
158.07248	2.1
158.10652	1.0
159.08061	2.5
159.11679	10.6
160.08781	0.4
161.09601	20.6
161.13223	3.4
162.09944	0.4
163.07472	0.4
163.11169	2.1
163.98959	0.3
165.06967	8.0
165.09085	0.6
166.07707	0.6
167.08522	2.4
167.10674	0.5
168.09323	0.9
169.10123	5.9
170.10889	4.1
171.08029	5.2
171.11661	10.6
172.08795	0.8
172.12053	0.4
173.09599	40.8
173.13000	1.6
174.10056	1.1
175.07520	0.6
175.11177	4.0
175.14781	3.9
178.08011	0.3
179.08522	0.8
180.09320	6.7
183.08061	1.1
183.10132	4.3
183.11693	3.4
184.08823	0.6
184.12424	0.8
185.09746	2.0
185.13234	34.0
186.13560	1.1
187.11163	4.3
188.11830	0.3
189.09108	1.5
189.12715	6.1
191.10640	3.7
191.14256	0.3
195.11664	20.2
196.12054	0.6
198.10390	2.7
201.12730	5.3
203.14293	17.7
204.14601	0.6
205.12111	0.5
213.12712	46.8
214.13062	0.9
219.13788	3.4
221.15421	0.4
231.13771	100.0
232.14116	2.9
233.14397	0.4
249.14838	8.4
257.15295	0.4
275.16336	0.6
315.19501	1.3
333.20578	2.1
351.17554	0.5
351.21613	5.0
351.81055	0.3
493.84836	0.3
505.22949	0.3
551.31897	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66422	2.0
53.75646	2.4
55.01839	2.3
65.03934	3.9
65.72801	2.2
67.05495	7.8
68.99786	2.2
69.03414	4.8
69.28161	12.9
77.03905	2.9
77.51539	2.1
79.05481	3.7
81.03407	8.4
82.67340	2.3
85.02895	3.4
89.03915	3.8
90.94798	2.3
95.04981	16.9
97.02908	3.1
98.11355	2.5
98.23437	5.2
101.32619	2.4
105.03361	10.8
107.04954	21.9
109.02861	6.3
111.04378	2.5
116.86608	2.1
117.03450	2.6
118.96780	2.4
121.02853	3.9
123.04412	20.0
124.04764	2.9
127.03907	2.8
127.08691	2.1
131.04921	3.3
133.02843	38.6
135.04405	11.6
137.02335	15.2
139.03906	8.0
147.04407	3.9
151.03926	11.1
152.04665	2.6
152.06195	2.6
153.06958	4.8
155.08537	2.6
159.03009	2.5
159.04362	2.6
161.02318	3.6
163.03886	3.7
165.05515	6.7
165.07002	21.5
167.07069	2.8
168.07306	2.4
169.05043	13.2
169.06374	4.2
170.05276	4.7
177.05446	8.2
179.03378	60.0
179.04961	2.9
181.05051	2.7
181.06476	8.5
182.07188	2.5
191.03349	5.4
191.04938	5.5
192.05637	2.9
193.04933	3.2
193.06470	11.7
197.05957	7.4
209.05939	9.5
210.06699	9.2
211.05789	13.0
211.07570	6.3
212.06310	8.1
221.05960	44.5
222.06410	7.9
223.07581	3.7
225.05453	10.4
237.05409	16.7
238.06252	5.8
239.06897	21.9
247.03787	3.5
248.04572	2.9
249.05447	26.3
250.06004	7.6
253.04919	11.8
255.06313	3.4
256.06924	5.0
265.04907	23.8
266.05707	11.1
267.06473	20.2
269.04315	5.5
275.03290	3.3
277.04953	8.6
278.05206	3.3
283.05920	11.5
293.04428	12.5
294.05200	37.4
295.05988	100.0
296.06311	9.4
299.07132	5.0
303.05167	16.9
304.05280	25.0
311.05353	27.8
312.06274	38.8
313.06900	33.7
321.03928	37.3
323.05484	4.9
324.05856	3.8
327.06601	5.1
329.07742	3.7
338.04089	4.1
339.04999	43.9
341.07581	3.9
351.05661	2.8
352.07040	2.8
355.05817	3.6
356.05081	3.2
357.07401	3.4
359.09058	3.1
369.07489	5.8
371.09082	7.2
387.08740	5.6
387.55612	2.5
397.07452	3.5
399.08746	4.0
415.08002	9.0
427.08276	6.0
433.09271	4.5
443.07541	8.9
453.06049	3.4
458.15945	2.6
461.08676	40.6
461.30042	2.5
489.01468	3.9
489.08167	58.8
491.29178	17.7
492.29169	4.7
535.08997	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	552.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.9
71.43254	2.0
75.04453	1.4
102.38420	1.5
106.49931	1.3
107.04900	2.0
109.05264	2.2
110.06026	7.5
111.04433	2.1
120.04448	13.6
121.02844	5.8
123.04427	4.0
131.04935	2.5
132.04430	5.8
133.02863	3.4
137.02339	12.6
137.03342	2.7
138.05527	8.6
148.03918	100.0
149.04295	1.7
150.05502	8.3
159.04346	1.8
160.03946	4.1
163.03893	2.2
165.06973	11.2
166.04971	19.6
169.06441	2.6
176.03423	11.9
177.07021	2.0
178.04973	4.4
179.03352	11.0
181.06374	2.2
191.03270	1.9
193.06520	8.8
194.04489	41.5
195.02942	2.5
195.07967	2.0
196.05930	2.1
197.05949	6.1
205.06488	11.2
211.07483	2.6
212.05502	33.9
213.05850	2.0
219.04362	2.5
221.05934	30.2
223.07512	30.5
225.05417	14.8
227.19574	1.6
231.04475	1.6
233.05905	8.7
239.06956	10.9
241.08806	2.5
249.05460	28.1
251.07022	22.9
252.07288	2.0
253.04993	8.2
255.06531	2.8
261.05722	1.7
265.05154	1.6
267.06461	10.1
269.08060	12.0
271.06033	2.3
277.04965	23.0
278.05676	2.0
279.06442	8.0
281.04468	1.6
285.07736	3.0
293.04321	4.7
295.05969	49.5
296.06381	2.2
297.07404	1.9
313.07047	5.7
321.03882	28.1
323.05496	14.3
341.06482	4.6
381.07529	2.2
399.08493	4.3
438.51367	1.8
461.08154	2.7
489.08221	8.4
506.10806	18.6
534.02539	2.2
534.10266	22.4
539.18335	1.7
548.60516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05505	1.5
63.02365	0.6
67.05484	1.5
69.03423	1.1
69.07057	4.1
69.14029	3.4
70.07374	0.7
79.05489	2.8
81.03409	1.4
81.07044	4.4
85.02888	2.2
86.09688	0.7
87.00806	0.9
89.03905	5.8
91.05470	1.2
93.07047	1.1
95.04936	2.0
95.08582	2.0
97.02888	0.7
98.23514	0.9
105.06995	2.8
107.04946	3.1
109.02838	1.0
109.10143	1.9
111.04420	0.6
117.03367	4.5
119.04933	0.5
119.08591	1.2
120.09017	0.5
121.06488	2.0
121.10133	1.0
123.04422	4.7
123.11693	3.6
124.12007	0.8
125.05971	0.8
127.03869	1.4
132.04420	0.7
133.02800	0.8
133.06483	8.1
134.06802	2.4
135.04398	12.5
135.11690	0.7
137.02333	1.4
137.05963	10.6
137.13200	1.0
138.06296	2.2
139.03896	0.7
145.02847	6.2
145.05109	0.6
145.06496	0.8
146.05870	0.7
147.04393	2.2
147.11670	0.7
148.03909	0.7
148.07504	0.6
149.04787	0.6
149.05969	1.0
151.07530	3.4
152.07881	1.4
153.05457	6.6
159.08043	1.2
160.03947	0.6
161.05959	23.0
161.13211	1.3
162.06404	5.6
162.13606	1.1
163.03885	49.5
165.05453	1.0
169.10094	1.4
172.03923	4.2
175.06245	1.4
175.07584	0.8
176.07019	6.6
177.09216	0.7
179.06969	5.9
180.07451	1.3
184.07297	1.5
186.05380	0.6
187.07561	0.8
187.11009	0.6
188.07057	1.5
189.09027	0.9
197.09668	0.8
200.03384	4.2
201.09082	0.8
203.10625	1.0
204.06534	5.1
208.06052	0.8
212.11731	0.5
215.10651	1.4
224.07115	0.8
226.08589	1.3
228.06430	0.7
229.12257	0.8
230.12556	0.7
232.05978	3.7
236.07069	1.0
237.07808	0.8
238.08607	1.3
241.07248	0.7
242.08080	1.0
251.05779	0.7
252.06508	2.6
253.07587	0.7
254.08070	1.5
257.06985	0.6
263.05762	1.7
264.06512	0.9
265.07281	0.8
266.08032	4.2
267.08783	0.7
268.06122	1.3
268.09625	0.7
269.06482	0.6
270.07489	0.9
272.08914	0.6
278.08163	0.7
280.06018	1.5
280.09528	1.3
282.07590	2.4
283.08292	1.8
284.09149	6.3
285.18457	1.2
286.07098	0.7
286.18933	1.0
294.07520	2.9
295.08551	2.5
296.05664	1.3
296.09186	2.1
297.09930	1.1
298.07224	1.0
298.10602	1.3
300.08517	1.9
301.09338	1.4
303.19504	100.0
304.19836	92.2
305.20026	1.4
308.09158	0.8
310.10699	1.8
311.07669	1.3
312.08545	4.5
314.10150	1.7
320.08932	0.7
322.07068	1.6
322.10645	0.7
323.07697	1.6
324.05063	0.8
326.10196	18.7
327.10690	1.2
330.09592	1.1
339.07251	1.7
340.08151	1.0
343.09766	0.7
344.11206	8.3
354.09692	10.3
355.10248	0.7
358.09113	1.2
372.10739	12.2
373.11298	1.1
390.11786	17.5
460.13770	2.0
488.13162	1.6
492.12753	1.3
506.14499	5.4
534.13940	7.6
552.14587	4.8
553.15704	1.0
553.26013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	1.0
72.72625	0.7
77.03915	1.2
79.05470	3.1
81.07047	4.1
85.02892	1.2
89.03902	12.3
91.05447	2.2
95.04955	3.0
95.08576	1.1
100.93559	0.8
107.04946	9.4
109.02798	0.7
116.04972	1.0
117.03371	12.8
119.04913	1.5
121.06489	0.9
123.04405	9.4
125.05959	1.0
132.04446	1.5
133.02802	2.7
135.04405	27.1
137.02356	2.0
137.05968	5.1
137.13307	0.8
139.03864	1.4
144.04404	2.1
145.02826	16.1
146.05920	1.5
147.04453	5.6
147.05531	1.2
148.03941	2.6
148.07524	1.9
149.57216	0.8
150.05496	1.3
151.03889	1.0
153.05443	12.9
158.05966	0.8
159.03088	0.8
160.03931	2.0
162.05414	3.7
163.03885	100.0
164.04256	1.3
164.07027	1.0
166.06232	2.2
167.07285	1.0
172.03922	9.0
174.05559	0.9
175.06253	2.9
176.07043	20.2
177.08972	1.5
178.04987	2.2
183.06723	0.9
184.07492	0.8
186.05434	1.9
188.07008	5.2
192.06482	1.8
193.05159	1.0
196.07509	1.1
200.03423	7.9
202.04927	1.1
204.06520	10.8
208.05923	1.6
208.07645	1.5
211.06073	1.0
220.05997	2.7
222.05397	1.9
223.06250	2.0
224.07095	2.7
226.08572	1.7
228.06621	2.4
232.05972	6.0
235.06113	0.8
236.07057	2.3
237.07834	2.0
238.05072	0.9
238.08620	2.6
240.06532	2.4
240.10008	1.3
241.07289	2.3
242.08031	1.3
250.04962	1.1
250.08673	0.9
251.05753	1.6
252.06493	6.8
253.07158	1.3
254.08127	4.5
255.08861	1.5
256.09903	1.3
257.06644	1.6
262.04855	0.9
263.05704	5.3
264.06549	1.8
265.07281	2.4
266.08060	8.2
268.06055	3.2
268.09610	2.5
269.06921	2.9
270.07587	2.1
272.08881	0.9
278.08121	1.4
279.08694	1.4
280.05957	3.0
280.09613	2.8
281.06729	1.3
282.04636	1.1
282.07602	6.2
283.08438	3.7
284.09149	13.2
286.07178	1.9
294.07590	8.7
295.05737	0.9
295.08408	7.4
296.05573	2.7
296.09116	4.6
297.06354	2.0
297.09872	3.1
298.07318	1.4
298.10632	5.6
299.07700	1.1
300.08633	5.2
301.09402	2.4
302.10229	0.9
303.19534	10.7
303.22668	1.5
304.19913	7.5
305.06839	0.8
308.05554	1.1
308.08972	1.3
309.09882	1.9
310.07281	1.6
310.10617	5.3
311.07797	2.3
312.08707	9.6
314.10172	3.0
322.07062	4.6
323.07922	5.1
324.05045	3.2
326.10202	41.2
327.10788	1.9
328.11737	1.0
330.09641	2.5
336.08563	1.1
338.10449	1.1
339.07590	3.6
340.08136	2.5
341.08847	1.6
344.11203	15.7
345.11777	1.5
354.09683	25.1
358.09180	2.3
372.10757	23.6
373.11429	3.9
390.06653	1.7
390.11758	35.9
391.12131	1.9
446.12305	2.1
460.13666	1.7
466.23645	0.9
488.13696	4.2
506.14404	9.6
520.12335	1.3
534.13977	14.3
552.14734	6.5
552.22235	0.9
553.15442	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48582	4.1
52.57634	4.3
89.03915	7.0
103.05450	10.0
106.06544	52.1
117.03384	15.2
131.04836	8.8
137.49303	4.1
145.02824	34.1
147.04440	4.6
149.05966	7.4
161.05959	6.6
163.03859	5.0
163.07561	6.8
177.05447	100.0
200.82442	4.9
293.09262	4.9
321.09750	5.5
358.48224	4.9
381.32660	5.1
520.20746	11.4
552.23499	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	552.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79797	2.7
59.41588	3.2
61.96275	2.9
66.13010	2.9
69.03423	4.1
69.33213	10.9
81.03408	4.7
103.05466	4.6
117.03369	18.6
119.08595	2.9
127.03917	3.9
131.04886	6.3
139.04048	4.3
145.02838	41.1
149.05956	6.9
163.03847	4.6
163.07581	3.2
177.05458	100.0
177.06975	5.2
182.99747	3.3
200.94594	3.9
212.12950	2.9
259.08151	3.1
269.87000	3.4
283.10806	4.0
321.09778	8.3
339.10239	3.8
339.13739	4.5
520.20789	3.8
552.23029	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	552.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91253	0.3
59.05537	0.3
63.80036	0.3
79.05461	0.8
80.04956	0.6
81.03368	0.4
81.05783	0.3
82.06544	0.6
83.55933	0.3
91.05456	0.6
93.07024	1.7
94.06567	2.4
95.04933	0.6
95.07332	2.1
96.08128	4.2
97.06488	0.4
106.06469	0.4
107.07333	0.5
108.04444	0.5
108.08105	4.7
109.08845	0.4
110.08981	0.5
110.09677	7.8
118.06516	0.6
119.07217	0.4
120.03751	0.3
120.04459	2.9
120.07328	0.4
120.08098	5.4
122.05973	1.1
122.09622	1.1
123.06827	0.5
124.07578	2.0
134.05968	0.5
134.09570	0.3
136.07568	5.8
138.09129	10.8
144.04358	0.4
145.02869	0.4
146.05994	1.1
148.07573	1.6
150.05406	0.7
150.09097	1.5
151.06253	1.0
152.07031	2.0
152.10683	1.1
162.09097	0.9
164.07019	1.1
166.08623	11.7
168.10127	0.4
172.03893	1.2
176.10674	0.6
177.07809	0.9
180.10126	0.9
182.08286	0.4
182.11665	0.9
182.22365	0.4
183.09184	0.5
184.09862	0.6
192.06543	0.5
192.10165	0.9
194.08180	1.8
196.09695	1.2
197.10655	1.3
198.11276	0.4
199.12448	0.3
204.06540	1.5
206.08003	0.4
207.09122	0.3
209.10660	1.4
210.11586	0.5
211.08676	0.8
211.12222	1.1
212.09418	1.4
213.10149	1.1
215.11667	0.4
220.09705	0.4
221.10614	0.7
222.11305	0.5
223.06770	0.3
223.08670	2.0
223.12216	1.2
224.09384	1.2
225.08151	0.6
225.10202	4.6
226.10831	0.7
227.11713	1.2
233.10857	0.5
235.08553	1.8
235.12215	0.5
236.09326	1.8
237.10210	8.3
238.10907	1.9
239.08150	2.2
239.11772	4.0
240.12227	0.5
241.09743	1.3
241.13161	0.5
245.12749	0.7
248.09253	1.4
249.10202	6.0
250.10986	2.5
251.08078	3.2
251.11786	6.2
252.08817	1.4
252.12529	1.6
253.09709	6.5
253.12607	0.5
253.13422	0.5
254.10371	0.9
255.11229	1.2
261.10202	1.9
262.10938	1.4
263.08142	1.2
263.11783	3.0
264.08835	0.9
264.12271	0.5
265.09711	10.7
266.10403	2.6
267.11252	5.5
268.11966	0.9
269.09091	0.8
271.10709	3.1
271.13434	0.5
273.12482	0.5
276.08844	0.7
277.09732	2.8
278.10431	4.0
279.07626	3.8
279.11234	10.5
280.08395	1.2
280.11978	2.4
281.09155	2.5
281.12796	1.8
282.09875	1.5
283.10782	7.3
283.13919	0.5
284.11517	0.6
285.12250	1.6
287.13876	3.8
289.09683	3.9
289.15256	0.5
290.10373	0.5
291.08124	0.5
291.11084	1.7
292.12186	0.5
293.09195	2.8
293.12817	4.3
294.10004	4.6
295.10791	3.7
296.11542	2.6
297.08868	0.7
297.12289	2.6
298.09454	1.0
298.12964	0.3
299.10202	3.0
299.13940	1.1
306.09879	1.2
307.10626	2.2
308.11569	1.5
309.08957	0.7
309.12289	2.9
311.10217	7.3
311.13840	2.0
312.11066	3.0
313.11761	3.0
314.12595	2.5
315.13562	0.4
317.09195	0.6
321.08731	0.5
321.12271	1.1
323.10126	1.4
323.13940	1.0
324.11096	2.6
325.11832	3.0
326.12518	6.4
327.13339	10.7
328.14209	0.7
335.10208	5.8
336.10773	0.4
337.08154	0.6
337.11899	1.0
339.13364	48.4
340.10422	2.1
340.13913	2.4
346.15417	0.5
352.10474	1.0
353.11380	1.0
354.12100	3.1
355.12857	9.0
356.13492	0.7
357.14502	0.6
358.15555	0.4
367.12857	14.6
368.13290	1.1
369.14740	0.4
371.12265	1.9
371.16193	1.0
372.12885	0.4
376.16339	0.5
385.13882	1.1
386.14783	2.5
387.15445	4.5
388.16287	0.7
390.18146	0.4
399.15433	6.1
400.16367	0.8
402.18262	0.6
415.14328	0.4
418.17679	0.6
420.19058	0.5
436.18887	0.9
451.20981	0.9
452.21725	0.7
460.18771	1.3
474.20590	0.7
479.20581	2.1
488.18179	3.5
492.21289	3.8
502.19791	0.9
520.20764	32.4
521.20911	2.1
524.23987	1.1
534.22186	0.8
552.23358	100.0
553.23718	7.4
578.59686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75645	0.8
70.53618	1.4
76.59367	0.7
82.06646	0.7
89.47560	0.6
93.07044	1.1
94.06557	2.5
95.07361	1.5
96.08141	2.9
108.08081	3.5
110.09684	6.0
118.06535	0.9
120.04461	2.3
120.08117	4.6
122.06022	1.7
124.07604	1.1
136.07607	3.2
138.09135	8.3
148.07516	1.1
152.07086	1.6
163.58873	0.8
164.07074	1.4
166.08632	8.6
176.10692	0.7
182.11699	0.9
194.08090	1.2
197.10820	1.2
209.10797	0.9
211.12280	0.9
212.09511	0.9
223.08682	1.0
223.12262	1.2
224.09386	1.3
225.10260	2.1
234.11520	0.7
235.08597	1.6
237.10229	7.0
238.11003	1.5
239.08243	1.3
239.11813	3.0
248.09407	1.1
249.10260	5.5
250.10985	2.0
251.08154	3.1
251.11769	6.3
252.08958	1.1
253.09618	5.3
261.10251	2.6
263.11783	3.6
264.08835	0.7
265.09689	8.8
266.10513	2.0
267.11218	5.5
269.12817	0.9
269.21130	1.0
271.10840	1.7
273.12433	0.9
277.09714	1.6
278.07855	0.7
278.10400	3.7
279.07687	3.3
279.11276	9.1
280.08539	0.9
280.12051	2.2
281.09329	2.2
281.12875	1.1
283.10818	5.0
287.14014	1.3
289.09726	6.4
290.10645	1.0
291.11255	2.3
293.09198	2.3
293.12927	3.8
294.09970	5.3
295.10767	2.8
296.11566	3.0
297.12210	1.7
298.09558	1.2
299.10236	2.6
306.09879	1.9
307.10764	1.5
308.11563	1.5
309.12344	2.7
311.10263	7.0
311.13782	1.8
312.10983	3.2
313.11877	2.4
314.12646	1.1
323.10394	1.1
323.13855	1.5
324.11029	1.9
325.11829	1.8
326.12653	5.5
327.13293	7.6
335.10150	8.2
336.10669	0.8
337.12234	1.2
339.13373	52.7
340.10495	2.9
340.14005	1.3
352.10336	1.5
353.11435	1.0
354.12143	4.5
355.12885	13.8
367.12863	36.2
368.13422	1.0
386.14749	0.9
387.15512	1.8
399.15762	1.4
460.18387	1.4
474.21277	0.7
479.20569	2.1
488.18085	11.9
489.18573	0.8
492.21503	6.0
502.19995	1.1
520.20770	100.0
521.21179	5.5
539.56580	0.8
552.23450	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	552.234
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	0.4
79.05446	1.0
80.04962	0.4
81.03362	0.4
82.06534	0.4
85.02886	0.4
86.09653	0.9
91.05433	0.7
93.06989	1.3
94.06557	2.2
95.07336	1.8
95.08583	0.4
96.08120	3.8
97.06456	0.3
103.05416	0.4
107.07309	0.4
108.07507	0.3
108.08109	4.4
110.08978	0.5
110.09666	7.1
120.04457	3.5
120.08098	4.8
122.05969	1.1
124.07541	1.3
132.08043	0.6
132.39830	0.3
136.06743	0.3
136.07558	3.7
138.09120	8.5
146.05951	1.1
148.07495	1.3
150.05484	0.5
150.09070	1.1
151.06256	0.7
152.07024	1.7
152.10638	0.9
152.41229	0.4
164.07028	1.1
166.07280	0.5
166.08630	9.5
176.10670	0.7
180.10156	0.7
182.04443	0.4
182.11722	0.8
184.07336	2.6
184.09795	0.4
187.03728	0.3
190.04904	0.4
190.90350	0.4
193.04959	0.6
194.08128	1.1
196.09811	0.8
197.10677	0.5
209.10657	0.9
211.08559	0.7
211.12285	0.7
212.09380	1.2
213.10168	1.0
215.11650	0.4
221.10780	0.5
222.11409	0.5
223.08636	1.3
223.12190	1.3
224.09349	1.4
225.10191	3.2
226.10976	1.0
227.11784	1.0
233.10727	0.6
234.11371	0.4
235.08675	1.2
236.09402	1.2
237.10190	7.7
238.10905	1.4
239.08128	1.4
239.11703	3.8
241.09641	0.5
241.13167	0.4
245.12845	0.6
247.28123	0.3
248.09264	1.6
249.10213	6.4
250.10974	2.3
251.08136	3.2
251.11757	5.9
252.08806	0.7
252.12474	1.4
253.09677	5.8
254.10347	0.7
255.11340	0.9
261.10220	2.9
262.10944	1.3
263.08832	0.6
263.11771	3.8
264.08969	0.8
265.09674	9.0
265.13074	0.7
266.10391	1.8
267.11237	6.0
268.11902	0.5
269.09137	0.7
269.12759	0.8
271.10757	2.1
273.12482	0.4
276.08963	0.6
277.09756	2.8
278.06729	0.6
278.10474	3.5
279.07648	3.8
279.11218	9.8
280.08334	0.4
280.11917	2.3
281.09586	2.3
281.12366	2.2
282.09909	1.1
282.12799	0.4
283.10742	7.2
284.11420	0.5
285.12314	0.8
287.13809	1.6
289.09644	6.2
290.10318	0.4
291.08240	0.3
291.11157	1.9
292.08646	0.4
292.11905	0.4
293.09183	1.9
293.12769	4.0
294.10016	5.4
294.13242	0.5
295.10736	3.8
295.14105	0.6
296.11472	3.0
297.08652	1.0
297.12280	1.9
298.09613	0.8
299.10263	2.1
303.19516	0.4
304.19824	1.5
306.09729	1.8
307.10699	2.3
308.11606	1.6
309.08743	0.8
309.12289	2.0
310.13025	0.9
311.10205	6.3
311.13855	1.8
312.10907	3.2
313.11789	2.2
314.12546	1.8
317.09128	1.2
321.12350	0.9
323.10092	1.4
323.13837	1.4
324.11041	1.7
325.11719	1.8
326.12576	5.0
327.13330	8.7
328.13995	0.4
335.10175	8.5
336.10822	0.7
337.11713	1.0
339.13351	58.5
340.10471	3.2
340.13882	1.6
352.10413	1.1
353.11169	1.0
354.12057	5.0
355.12811	15.5
356.13361	0.6
367.12839	34.7
368.13281	1.4
371.12122	0.5
376.16629	0.5
383.12277	0.4
386.14664	1.5
387.15393	1.2
399.15512	1.2
400.16382	0.4
402.18195	0.4
418.17352	0.5
436.18634	0.5
446.17087	0.4
447.17523	0.5
451.21060	1.3
460.18668	1.3
461.19016	0.7
470.16718	0.6
479.20413	2.4
488.18076	11.8
492.21191	6.4
502.19467	1.1
520.20721	100.0
521.20941	4.6
533.76581	0.3
552.23334	13.3
553.23492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01867	1.3
55.05502	1.8
57.03433	3.3
57.07078	2.5
61.02925	2.7
67.05511	3.6
69.03426	9.7
69.07057	3.0
73.02893	5.0
74.79595	0.9
76.80350	0.9
79.05482	8.6
81.03419	3.2
81.07050	100.0
82.07365	1.2
82.95141	0.8
83.04968	1.5
85.02892	20.8
85.69021	0.8
87.00820	8.2
91.03956	0.9
91.05473	1.6
95.04991	1.8
95.08601	18.8
97.02883	13.3
99.04459	2.2
103.03932	3.5
105.01854	15.1
109.02849	5.3
109.10149	1.3
111.04441	1.2
114.96639	0.9
115.03946	2.2
117.03356	1.3
121.06490	1.9
123.04422	2.0
125.02305	1.9
127.03911	17.2
129.01836	1.6
137.06009	1.1
137.13235	23.5
139.03877	1.4
145.02858	2.7
145.04924	6.6
147.02922	1.9
147.04369	1.1
151.03925	1.8
153.05421	1.0
159.02876	1.3
161.09662	1.0
162.09924	1.1
163.03850	4.7
169.04968	1.8
171.02914	1.4
173.09566	1.2
177.05469	6.7
181.04930	3.1
184.07285	1.1
189.03961	5.5
195.06705	1.1
199.05919	1.3
204.19322	1.0
213.03902	2.5
213.05550	1.6
217.07130	1.4
223.06064	3.0
231.04997	5.8
241.07060	2.9
249.05879	4.2
273.03525	0.9
273.06079	6.2
303.19324	2.1
304.19873	3.5
309.06107	1.9
312.12198	1.3
326.10104	1.1
327.07141	2.4
340.08118	1.0
345.08163	1.3
363.09293	1.9
413.57065	0.9
434.16904	1.1
520.21106	1.0
526.34607	1.0
552.15656	1.1
552.23566	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	552.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
53.08826	0.5
55.05507	0.5
55.56390	0.5
57.03430	1.6
57.07059	0.7
59.14987	0.4
61.02938	0.5
67.05509	3.0
69.03427	4.4
69.07037	1.0
69.14011	2.0
69.14423	1.1
71.01325	0.4
73.02906	2.1
79.05490	7.2
81.03410	2.3
81.07051	100.0
85.02893	8.2
85.03354	0.8
87.00822	3.1
89.03906	2.1
91.05486	0.5
93.07044	0.6
95.04971	1.0
95.08604	10.2
97.02894	4.7
99.04453	1.3
103.03925	1.2
105.01858	5.4
107.04980	1.2
109.02872	2.5
109.10173	0.5
111.04409	0.7
115.03900	1.1
117.03378	1.6
123.04448	1.5
126.07578	0.4
127.03889	6.5
127.04735	0.5
129.01851	1.0
135.04414	4.6
137.02348	1.1
137.05980	1.0
137.13243	18.8
139.03961	0.5
145.02846	2.6
145.04982	1.8
145.68929	0.5
147.04405	1.3
148.03970	0.7
150.07628	0.7
151.03871	1.0
153.05487	2.9
163.03897	21.8
164.04207	0.9
166.06230	1.0
169.04826	0.5
172.03960	0.8
172.59634	0.4
176.07068	2.2
177.05470	1.1
181.05002	0.5
182.46507	0.5
183.06477	0.5
184.07376	0.8
189.03978	1.7
200.03445	1.6
204.06569	2.6
208.06001	0.8
213.03978	0.8
220.06061	0.8
223.06055	2.0
231.05032	1.8
232.06039	0.9
237.07895	0.6
241.07140	1.4
249.05948	0.8
252.06665	1.8
254.08356	0.6
266.08200	1.3
268.05960	0.6
270.07419	0.7
273.06024	2.3
279.05161	0.6
280.06345	0.8
280.09784	0.6
282.07675	1.0
283.08240	0.6
284.09152	2.5
294.07645	1.9
295.08511	1.9
296.09097	1.1
298.07361	0.6
298.10669	0.7
300.08630	1.4
301.09418	0.5
303.19537	5.5
304.19855	9.3
310.10797	1.3
312.08578	2.6
322.06812	0.6
323.07883	0.6
324.05322	0.5
326.10181	7.1
330.09424	0.8
340.08081	1.1
344.11163	3.2
354.09659	4.3
358.09314	0.6
372.10843	4.6
373.11633	1.5
390.11801	6.6
488.14014	0.7
506.14468	1.5
520.12079	0.7
534.13916	3.0
535.14832	0.6
552.15015	1.5
552.25195	1.9
553.15582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33298	0.5
62.69393	0.5
67.05486	0.8
69.03418	1.0
69.14748	3.5
71.04987	1.2
78.74266	0.5
79.05490	0.7
81.03408	2.8
81.07062	0.6
85.02890	1.2
91.05482	8.7
93.07034	1.1
95.08608	3.0
96.23957	0.5
97.06523	3.1
105.07024	5.7
107.08575	0.7
108.23154	0.5
109.02852	1.0
109.10160	0.6
117.06998	0.7
119.04931	17.6
119.08541	0.7
121.10110	1.5
127.03850	0.6
131.08589	3.1
133.10120	62.0
143.08568	0.7
145.10139	0.9
147.04396	100.0
147.11584	0.6
148.04706	1.8
158.10928	1.2
163.03850	0.7
165.05478	5.7
173.13245	14.6
177.05463	0.8
190.76721	0.5
191.14290	12.9
191.42859	0.6
291.08487	3.4
309.09708	4.8
315.07816	0.6
315.11456	0.6
373.16214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.3
59.52557	4.3
62.53351	4.6
64.11771	3.8
65.03909	4.9
67.05495	9.1
69.03412	41.4
70.13028	7.8
79.05471	10.3
81.07043	9.1
83.04962	31.7
91.05460	34.3
93.07042	15.4
95.04958	21.3
96.36253	4.7
98.23463	4.6
101.05943	5.0
105.07021	51.1
107.08553	9.3
109.06493	5.3
115.05437	10.2
116.06221	4.7
117.07003	59.3
119.04917	7.0
119.08549	14.4
128.06213	23.3
129.06996	45.4
130.07797	8.3
131.08563	48.4
133.06448	5.5
133.10117	13.2
142.07800	9.3
143.08554	40.5
145.06416	9.7
145.10129	62.7
147.08044	8.7
147.11670	6.2
149.09654	9.3
155.08540	23.5
156.09370	5.0
157.10109	23.8
158.07291	5.5
159.08101	7.0
159.11678	19.6
161.09599	10.7
169.10107	8.2
171.08075	5.3
171.11696	17.9
173.09598	100.0
175.11143	7.3
179.00514	4.4
180.32089	4.9
183.11714	5.0
185.13248	20.7
187.11198	5.8
191.10709	5.5
195.11694	10.8
203.14302	13.9
213.12701	37.1
231.13780	53.9
234.04167	5.6
264.80731	4.1
295.46411	4.8
301.44189	4.5
343.77063	4.9
398.06229	4.1
442.79089	5.7
540.37811	5.3
542.20264	4.9
552.31995	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	553.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.6
60.44939	3.5
65.03930	16.9
69.03431	8.1
69.07037	8.2
70.06590	18.3
70.76043	5.5
78.09787	3.9
79.05502	6.7
81.03423	5.7
81.07044	12.1
83.08622	5.7
85.02922	5.4
86.09684	6.0
89.03893	7.7
91.05476	15.1
93.03397	26.4
93.07039	8.3
95.04958	7.9
95.08593	8.6
97.06509	3.8
99.08085	13.3
100.11240	16.0
105.07030	7.2
107.04942	19.5
107.08597	6.7
109.10129	6.9
111.04442	73.2
115.05444	8.4
117.03395	9.0
119.08553	6.8
121.02927	3.8
127.03913	6.1
131.04903	7.2
133.10101	7.1
135.04413	51.2
136.24805	3.7
137.05940	28.7
139.03906	100.0
143.04933	12.4
145.02821	15.6
147.04306	5.5
151.03900	15.3
153.05434	10.3
159.04407	9.4
163.03899	59.7
165.06915	4.7
175.03821	4.8
177.05499	19.2
181.04962	55.3
182.05305	6.0
187.03908	39.7
193.15880	13.8
194.07146	5.5
194.16214	4.0
205.06566	21.6
208.63417	3.9
210.14841	6.4
215.17921	4.0
221.05928	11.0
222.06702	8.5
223.07497	7.4
229.12329	5.1
231.02855	36.8
233.05959	16.6
237.09058	34.7
238.06050	4.3
249.05450	12.3
250.06071	9.6
251.07010	8.8
263.06766	8.3
265.08511	41.9
266.05948	6.7
267.06189	5.8
269.20953	7.3
277.04907	9.0
281.08075	7.3
283.09595	35.2
293.08157	5.5
294.05133	4.8
295.05667	7.2
299.08902	4.0
305.13623	5.2
309.07382	19.4
310.07935	12.3
311.09027	4.9
326.10208	6.5
327.08600	13.1
331.57248	4.6
337.06967	31.1
338.07239	10.1
355.08047	7.9
355.12521	4.7
373.13922	7.8
509.36545	5.1
552.44824	4.4
553.17627	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61551	1.1
68.48935	1.1
72.80410	1.2
81.07085	1.6
85.02898	2.2
85.90934	1.2
86.09693	1.2
91.05490	1.3
95.08593	1.4
98.22720	3.6
108.67616	1.2
109.10162	1.4
110.09674	2.1
134.98846	1.3
153.05492	1.3
162.56883	1.3
163.03929	3.3
166.08598	1.7
168.52402	1.1
184.07408	2.0
218.98874	1.3
227.04970	1.3
240.59311	1.4
242.90784	1.3
243.10179	1.3
247.11263	1.7
261.72766	1.2
271.04028	1.6
294.09637	1.7
305.11530	4.6
339.13538	2.5
340.13611	2.5
355.76111	1.4
449.15411	1.6
467.16776	13.2
468.16479	1.6
509.17767	85.3
510.18024	3.5
521.21252	7.2
553.16705	100.0
553.23541	5.1
554.17047	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	553.1684
Annotation	Cucumerin A
Peak:m/z	Relative Intensity
69.07037	0.6
69.19041	1.2
69.19452	2.2
74.54098	0.6
81.03393	0.7
81.07054	1.4
85.02913	0.9
87.36189	0.6
93.07021	0.6
93.84052	0.5
95.08605	1.2
105.07049	0.5
107.04903	0.8
107.08588	1.0
111.04411	0.6
115.55212	0.5
119.04935	0.9
119.08578	0.8
120.12675	0.5
127.03906	0.9
133.10110	2.3
134.10429	0.7
147.04399	4.9
148.04692	0.8
151.03880	0.7
159.69470	0.5
163.03902	3.5
179.08902	0.5
181.04915	0.6
211.34721	0.5
245.06291	0.7
289.05389	2.6
305.13568	1.2
335.22009	0.5
391.21002	1.3
509.17847	16.8
553.16779	100.0
554.17426	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	553.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20731	2.6
84.15858	0.4
91.98231	0.4
95.01100	1.0
100.11286	0.5
105.07063	0.5
113.90434	0.4
114.09177	0.7
121.02621	0.8
127.00069	0.9
133.02625	1.6
133.06314	0.6
135.04271	1.1
138.02908	1.3
139.03851	0.8
141.05272	0.6
161.02167	0.8
163.03725	3.3
167.03178	0.8
169.04770	1.3
179.03218	2.5
183.06544	1.7
185.04230	1.3
189.05316	0.6
191.03352	1.4
199.05782	0.8
213.07195	0.6
225.06618	0.6
227.05264	1.4
243.04710	2.5
245.06297	5.4
271.04288	1.1
279.08405	3.2
287.03845	1.3
287.12430	2.6
289.05240	1.6
305.13602	3.9
324.07703	0.5
341.08521	1.8
355.09900	1.3
366.09094	3.2
383.09454	8.9
385.11182	0.7
410.08505	1.1
427.08408	2.7
467.18912	2.4
509.19846	23.4
510.20337	0.9
553.18854	100.0
554.19171	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	553.189
Annotation	Alboside I
Peak:m/z	Relative Intensity
58.96025	0.6
69.45238	0.6
69.45517	2.9
76.62238	0.5
77.68289	0.6
82.70963	0.5
83.21562	0.6
103.05478	3.4
105.07126	0.6
111.04400	0.6
131.04912	11.1
137.05997	1.1
153.05460	0.7
163.03906	1.0
163.07513	6.6
171.00555	0.6
177.05440	0.7
180.39424	0.5
190.05875	0.6
203.05139	0.8
215.14769	0.5
245.06366	2.8
287.12549	2.0
289.05292	6.5
305.13651	1.9
467.18942	3.5
481.20300	1.2
509.19916	17.0
510.20407	1.3
553.18872	100.0
554.19427	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	553.189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96025	0.6
69.45238	0.6
69.45517	2.9
76.62238	0.5
77.68289	0.6
82.70963	0.5
83.21562	0.6
103.05478	3.4
105.07126	0.6
111.04400	0.6
131.04912	11.1
137.05997	1.1
153.05460	0.7
163.03906	1.0
163.07513	6.6
171.00555	0.6
177.05440	0.7
180.39424	0.5
190.05875	0.6
203.05139	0.8
215.14769	0.5
245.06366	2.8
287.12549	2.0
289.05292	6.5
305.13651	1.9
467.18942	3.5
481.20300	1.2
509.19916	17.0
510.20407	1.3
553.18872	100.0
554.19427	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	553.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	15.5
61.02929	1.8
67.05521	1.9
68.99788	24.3
69.03426	5.0
70.73948	2.4
79.05492	3.1
81.03406	3.4
85.02899	17.2
91.03892	1.9
91.05480	3.0
93.03393	1.7
94.04239	1.5
95.04957	2.8
97.02901	3.6
103.05444	2.6
105.07050	1.7
107.04922	6.9
108.02076	2.5
109.02867	1.8
110.03663	14.9
111.04399	1.8
114.88662	1.5
115.05467	4.1
117.07011	8.9
119.04947	10.6
122.03634	3.6
125.05985	31.6
127.03913	2.4
131.04913	6.9
133.02892	1.9
136.89864	1.5
137.05971	57.7
141.05482	2.8
143.04915	3.7
145.06461	14.7
147.04399	14.9
149.05983	4.1
151.03899	100.0
151.04996	8.6
152.04225	2.2
159.04462	1.6
160.05188	1.5
161.06001	5.6
163.03976	1.5
163.07571	7.0
173.05992	2.8
175.07585	5.5
177.05435	7.4
177.09070	8.7
179.03474	6.7
179.07016	19.1
181.05020	4.5
189.05444	10.1
191.07065	3.9
193.04955	81.1
193.08658	6.0
195.66212	1.4
203.07050	6.4
205.06761	2.5
205.08488	8.4
207.06543	2.4
219.06557	6.1
221.05984	1.8
231.06517	4.7
233.05972	2.2
233.08125	1.8
249.05321	1.6
249.07489	3.2
250.06213	2.8
253.08699	3.0
258.35236	1.4
262.06302	2.1
265.08469	7.6
277.08514	7.1
278.05844	1.8
279.85239	1.7
281.08093	5.5
285.07584	1.5
286.08292	1.8
292.07291	3.3
293.08109	15.0
294.08707	2.0
298.08359	2.1
307.09521	3.1
309.11288	2.3
313.10620	24.3
315.12119	2.2
323.12836	1.8
325.10751	13.2
327.12466	1.5
337.10651	9.9
343.11752	15.0
355.11725	12.9
361.12692	15.0
373.12860	7.5
391.13727	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	553.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.6
71.04945	1.4
71.31200	2.0
72.62325	1.3
78.31698	1.2
82.16331	1.4
83.01093	1.6
84.03549	1.4
84.65126	1.2
85.06540	1.7
91.05481	6.2
93.07036	3.1
95.04955	3.9
105.07001	4.4
115.05511	1.5
117.06983	4.3
119.08560	2.5
129.07002	2.6
129.30705	1.3
131.08571	3.9
140.96356	1.4
143.08559	2.3
145.10182	6.7
148.46169	1.4
157.10118	1.8
159.08070	3.1
161.05945	3.2
173.09619	5.9
231.24384	1.5
245.07841	29.6
271.13037	16.1
308.23590	1.6
331.15134	100.0
332.15421	3.2
470.73553	1.5
511.33737	4.7
512.34149	12.6
553.22479	2.8
553.30536	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	553.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58931	0.7
70.84559	1.3
82.07000	0.7
96.11703	0.8
106.02721	0.9
136.07275	0.9
157.81877	0.8
185.04205	1.0
259.07813	1.2
331.09836	1.2
553.29803	100.0
554.30035	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	553.298
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
61.78236	0.2
62.99665	0.2
70.55231	0.5
84.28064	0.2
87.31395	0.3
92.26853	0.2
95.29299	0.2
96.01835	0.4
105.08398	0.3
125.02168	0.3
157.04659	0.3
180.24159	0.3
184.03439	0.4
185.04192	3.2
201.03690	1.5
259.07889	0.8
274.58923	0.3
275.07404	1.2
291.02914	0.2
301.08804	0.5
321.17010	0.3
331.10016	3.5
345.11481	0.7
359.13190	0.7
373.14700	0.9
391.24567	0.7
401.17871	0.6
415.19360	1.1
441.20724	0.5
455.22705	0.6
483.22113	1.9
535.28949	0.3
553.29755	100.0
554.30084	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	554.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
58.32349	0.4
60.06357	0.4
61.02939	0.8
65.03920	0.7
69.03407	2.1
69.97728	1.5
71.04914	0.4
81.03424	0.7
85.02892	8.0
89.03898	4.9
91.03965	0.5
91.05458	0.7
93.03376	1.6
97.02872	1.7
99.04455	0.6
103.05457	12.3
107.04916	0.5
109.02870	1.1
111.04434	2.7
117.02568	0.9
117.03370	15.4
119.05049	0.6
127.03905	1.4
131.04915	34.3
132.05281	0.7
134.03619	1.6
135.04390	3.7
137.05939	1.8
139.03888	7.6
145.02835	47.8
145.04776	1.4
146.03160	1.3
147.04379	3.0
149.05963	5.2
153.05467	2.7
160.30142	0.4
163.03877	1.9
163.07521	15.2
175.07463	0.5
177.05450	100.0
178.05766	1.7
180.08743	0.9
181.04912	2.9
203.07014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04906	0.4
52.33645	0.4
53.03937	0.4
55.01862	1.3
61.02914	0.5
65.03938	0.8
69.03411	1.1
70.06569	0.5
77.03919	0.8
78.04690	0.4
81.03399	0.8
85.02892	3.4
91.05472	0.7
93.03443	0.9
95.04978	0.9
97.02862	1.5
98.23443	0.9
103.05457	38.0
107.04881	0.4
109.02867	0.6
111.04440	1.2
114.67603	0.4
115.05405	0.6
117.03366	1.2
117.07041	0.7
122.03639	0.9
123.08822	0.4
125.05968	1.0
127.03876	0.6
129.06969	0.9
131.04912	100.0
132.05270	1.1
135.04384	1.1
137.02313	0.7
137.05957	11.9
139.03877	1.0
143.04861	0.6
145.02879	2.9
145.04930	0.8
145.06497	0.8
149.05960	0.6
153.05495	3.2
160.05211	0.9
163.03873	1.8
163.07524	50.8
164.07927	0.9
174.06798	0.5
175.07535	5.2
175.92130	0.5
177.05453	6.3
177.09087	1.3
178.05554	0.5
179.03284	0.7
187.07550	0.9
189.09073	0.7
191.07028	2.9
203.06996	3.9
205.08484	2.0
221.07993	0.6
233.05956	0.3
233.08055	9.1
265.00806	0.5
269.04538	0.4
279.10217	0.6
554.18964	1.8
556.54425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61151	0.5
53.03943	0.6
54.86482	0.5
55.01873	4.3
57.84856	0.6
65.03919	0.7
69.03432	0.8
70.68437	0.9
77.03941	0.8
81.03403	0.6
85.02885	2.2
91.05448	0.9
93.03406	1.4
95.04973	1.0
95.08620	0.7
97.02882	0.9
103.05461	37.2
107.04921	1.1
111.04427	1.9
117.07005	1.1
119.30325	0.6
125.06009	2.8
131.04918	100.0
132.05257	1.5
135.04405	0.9
137.05960	10.0
143.04904	0.8
145.02814	0.8
145.06471	1.9
153.05446	7.9
154.05769	0.6
160.05206	0.6
163.03873	1.4
163.07530	54.6
164.07861	0.7
175.07549	1.1
176.04756	0.6
177.05476	1.7
177.09085	1.6
179.07063	0.6
187.07597	0.8
189.85448	0.6
191.07063	3.9
203.07008	8.8
205.08594	1.8
221.07980	0.9
231.57817	0.5
233.08064	2.1
254.24896	0.6
296.92776	0.6
332.07224	0.5
339.12466	1.1
345.94690	0.5
357.13275	0.8
433.98029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
57.03422	0.7
61.02910	0.9
69.03420	1.3
69.21484	0.6
69.64288	1.6
81.03403	1.0
85.02892	6.0
89.03907	1.7
91.05450	0.8
93.03397	1.1
95.04967	1.6
97.02879	1.1
98.23407	0.7
103.05459	35.6
104.05819	0.8
109.02832	0.6
111.04440	1.9
115.05421	0.5
117.03357	4.3
119.04922	0.6
123.04411	0.5
125.05995	0.8
127.03889	1.1
131.04915	100.0
132.05254	1.6
134.03604	0.6
135.04379	0.8
137.05972	4.4
139.03908	1.7
143.04932	1.0
145.02831	14.1
145.03943	1.0
145.04994	1.5
147.04378	3.5
149.05988	2.1
153.05455	5.2
163.07530	48.2
164.07884	0.8
175.07552	0.7
177.05449	34.1
181.04945	1.1
191.06978	2.4
203.06999	4.4
205.08562	1.2
221.07951	0.6
233.08096	1.4
307.10959	0.5
520.48022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66018	0.2
55.01864	1.6
57.03426	0.4
58.06116	0.2
61.02924	0.2
69.03423	0.8
69.10588	0.3
69.58755	0.9
77.03925	0.6
81.03413	0.7
85.02894	3.1
86.09714	0.2
91.05482	0.3
93.03391	0.6
95.04958	0.8
97.02893	1.1
98.22636	0.2
103.05457	33.2
104.05789	0.7
105.04517	0.4
107.04934	0.4
109.02834	0.3
111.04440	0.6
117.03394	0.2
117.07086	0.2
120.30776	0.2
125.05956	1.2
127.03915	0.6
131.04913	100.0
132.05261	1.3
135.04391	0.5
137.05956	4.5
139.03917	0.3
143.04919	0.4
145.02905	0.4
145.04926	0.8
145.06465	0.5
149.06067	0.3
153.05472	3.3
160.05165	0.5
163.07523	49.6
164.07886	1.1
175.07536	0.9
177.05397	1.4
177.09064	0.5
180.08598	0.4
187.07422	0.3
191.06989	2.0
200.32828	0.3
203.06989	3.4
205.08592	1.5
221.08035	0.6
223.09697	0.3
233.08070	1.9
357.13297	0.4
499.67264	0.2
510.19537	0.6
554.19238	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	554.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.7
53.03944	2.9
57.03425	0.7
69.03421	7.8
71.04948	0.6
71.58893	0.4
73.72450	0.3
77.03909	1.7
79.05482	4.2
81.03410	13.4
85.02898	7.5
90.66502	0.4
91.05472	5.1
95.04959	7.2
95.21301	0.4
97.02880	8.6
99.04417	1.9
105.03382	100.0
105.04518	3.8
106.03715	1.7
108.04458	0.4
109.02873	10.3
112.28275	0.4
123.04421	11.2
127.03907	10.6
135.04309	0.6
145.04936	3.0
163.03902	2.0
165.05450	0.7
167.49747	0.5
171.84187	0.4
231.06473	2.0
238.12650	0.5
249.07553	31.0
250.07898	0.8
267.08606	31.4
268.08878	0.8
280.52481	0.5
288.12592	0.5
357.13501	0.6
378.15521	0.5
505.87796	0.5
510.20255	0.9
554.19537	2.2
564.31177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	6.3
79.05486	5.5
81.07046	8.4
85.02898	7.3
90.63552	4.5
91.05485	9.5
95.04977	6.3
95.08591	6.5
95.54241	5.0
100.11269	6.1
103.05473	15.8
105.07019	5.7
107.04975	17.4
111.04459	6.9
114.09186	5.6
119.04928	7.8
121.06506	10.9
121.10168	7.7
127.03938	5.2
131.04895	26.4
133.06465	8.2
135.04420	12.0
135.08121	6.3
137.05983	53.5
139.03906	9.4
145.06496	6.8
149.05977	28.8
161.05962	42.4
162.06808	7.5
163.03903	22.4
163.07549	17.1
163.65584	4.7
170.88661	5.0
174.06738	11.5
175.07434	6.7
178.04948	5.9
181.04999	19.4
182.15366	6.1
188.04349	5.1
191.07104	7.1
194.07239	5.3
195.06477	6.8
203.07071	21.1
211.11136	5.4
215.07031	67.5
221.08029	7.2
225.09061	5.4
229.12242	23.0
233.05969	5.8
233.08054	100.0
237.09027	8.9
248.59944	4.6
249.05623	7.7
253.08540	8.9
265.08618	35.6
266.09067	5.5
281.07974	5.1
282.08743	6.5
285.11206	18.8
295.05936	11.2
297.11282	62.9
306.17679	4.9
307.09607	10.9
311.12851	6.5
325.10651	81.4
327.12265	14.8
339.12228	25.5
343.15182	8.0
345.13437	15.5
357.13342	58.1
465.15833	5.3
554.19489	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	554.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16574	47.2
54.93490	44.5
62.61198	52.5
70.48647	91.7
79.05495	57.8
91.05463	100.0
98.23434	53.6
105.07010	79.5
107.04977	75.0
117.06989	70.4
131.08568	90.7
143.08575	62.3
144.50789	48.0
149.17241	45.1
159.08047	58.9
161.05951	59.3
163.03964	93.7
173.09645	71.9
245.11827	74.4
249.43442	45.5
252.08994	48.7
263.12924	59.0
293.76950	45.4
304.58994	51.8
319.75601	54.2
382.79849	62.0
431.50308	47.2
559.66205	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33746	2.3
53.54261	2.5
55.05504	11.7
57.07093	2.9
58.34179	2.9
58.75406	2.4
60.65852	2.4
66.57556	2.4
67.05489	15.7
69.07044	2.9
71.04971	2.5
79.05491	15.9
81.07054	19.7
83.04973	17.2
85.06538	4.3
86.91104	2.3
91.05474	50.1
93.07048	24.2
95.04941	15.5
95.08601	14.3
97.06519	3.0
103.05420	3.4
105.07021	82.1
107.08585	15.7
109.06513	7.4
109.10124	3.4
111.08116	3.1
115.05461	5.9
116.06238	4.2
117.07013	39.1
119.04939	5.7
119.08573	46.3
121.06505	6.1
121.10133	7.2
128.06215	5.0
129.06989	27.5
130.07721	3.6
131.07649	4.9
131.08563	59.4
133.06502	8.1
133.10121	41.7
135.08041	4.1
135.11655	4.3
135.67667	2.6
141.06935	5.5
142.07773	48.7
143.08559	6.4
144.09393	3.8
145.10118	45.7
147.08028	4.7
147.11676	35.2
149.09601	3.8
155.08603	14.1
156.09323	3.6
157.10109	99.8
159.08078	4.2
159.11684	68.6
159.12955	5.7
161.09612	6.6
163.11162	3.7
167.08554	4.6
169.10126	6.2
171.11697	7.0
173.09615	11.9
173.13251	9.0
175.11182	100.0
177.05473	3.4
177.12730	4.7
182.10919	4.6
183.10115	3.4
187.14819	38.6
193.12202	4.1
194.47797	2.7
197.13239	22.7
205.15875	6.1
215.14320	47.0
231.13794	3.1
233.15350	24.0
279.12390	3.0
337.16324	5.6
385.82870	3.2
431.18842	2.8
434.53629	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	554.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20913	4.1
53.03947	4.5
54.46001	3.9
55.01855	4.4
55.05509	13.2
56.74733	3.7
57.03424	9.3
58.55135	3.8
65.03916	5.6
67.05492	12.0
69.03413	7.4
69.07092	5.3
70.55397	7.6
79.05492	28.0
81.07047	14.9
83.04959	36.2
91.05479	58.0
93.07034	17.9
95.04961	56.6
97.06528	4.9
98.10665	4.8
101.06017	14.2
105.07031	36.6
105.63964	4.0
107.04946	26.8
107.08579	15.3
109.02879	9.0
109.06508	59.7
111.04456	7.4
115.05442	20.2
116.06221	6.0
117.06997	47.1
119.04932	10.3
119.08599	22.6
121.06497	17.2
123.04442	10.6
128.06218	16.2
129.06998	36.1
131.04927	4.2
131.08548	69.9
133.06500	15.6
133.10117	8.5
135.08012	31.3
137.05978	9.8
141.06975	20.9
142.07782	17.4
143.08548	47.8
144.05696	12.5
145.06482	44.8
145.10085	15.5
147.08003	27.8
147.11589	8.5
151.07578	5.2
153.07080	4.5
155.08563	4.5
156.09320	12.3
157.10086	23.5
158.07275	10.3
159.08041	100.0
159.09326	8.2
159.11664	5.9
160.08778	7.1
161.05968	90.5
161.09615	19.4
163.07521	30.7
165.06967	9.4
166.07776	10.7
167.08389	6.4
169.06474	7.0
171.08066	15.2
171.11655	22.5
172.08775	7.7
173.09622	20.4
175.07503	11.3
175.11218	10.6
177.09058	12.6
181.10107	22.5
183.10194	7.8
184.08826	10.0
185.09590	23.4
187.07503	40.6
187.11198	6.3
189.09122	12.3
189.12732	14.2
199.11162	60.2
201.09071	15.9
201.11143	6.4
203.10617	12.6
205.08598	7.8
217.12230	40.3
227.10632	29.0
245.11711	78.1
263.12738	38.7
337.16342	12.6
367.01456	5.1
386.36584	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	554.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64915	4.1
55.01855	4.8
55.05511	28.0
57.07076	7.9
61.00591	3.9
61.39898	4.4
67.05490	22.2
69.03425	21.4
69.07063	46.3
71.04986	5.2
79.05505	7.8
81.03423	19.6
81.07047	30.6
83.08611	27.6
85.02898	51.5
87.00837	18.7
90.27184	4.2
91.05492	10.7
93.07037	14.1
95.08612	32.5
97.02895	17.8
97.06512	6.6
97.10159	40.7
98.23487	13.8
99.04445	8.4
99.08083	7.8
105.01870	22.1
105.07042	7.2
107.08594	9.5
109.02870	10.9
109.10148	17.4
111.11732	14.2
119.08614	8.2
121.10145	18.2
123.11700	6.0
125.09655	4.7
125.13232	7.1
127.03913	41.5
129.09134	5.3
133.10144	12.2
135.11696	18.0
137.13266	8.4
139.11206	5.0
145.04927	6.5
147.11711	14.6
149.13283	5.6
151.11157	6.9
151.14783	5.5
155.59602	4.1
161.13219	11.5
163.03891	12.2
165.12799	5.9
167.06932	7.8
169.12090	6.6
179.14398	6.0
193.19463	5.3
217.19518	31.5
219.65379	4.7
231.04918	7.7
235.20541	67.0
253.21614	100.0
271.22696	75.6
289.23749	5.7
361.23770	5.1
522.20917	5.9
554.22015	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	554.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62631	5.5
55.01852	6.7
55.05501	25.4
57.03426	7.8
57.07074	8.8
67.05500	29.4
69.03426	19.8
69.07066	49.1
70.69833	13.4
71.04978	6.9
73.02869	6.6
79.05502	12.5
81.03421	28.0
81.07047	44.1
83.08606	33.5
85.02891	55.8
87.00826	23.7
91.05470	16.3
93.07002	7.5
95.08606	25.4
97.02888	21.9
97.06522	9.0
97.10183	28.3
99.04465	10.3
105.01883	21.8
105.07015	13.6
107.08584	16.5
109.02869	22.2
109.10151	21.8
111.11716	22.4
119.08600	12.7
121.10148	15.8
127.03902	50.3
133.10118	13.2
135.04388	7.4
135.11684	24.1
139.11134	9.0
142.88760	5.9
143.64827	5.7
145.04906	10.1
147.11646	8.4
149.20728	6.0
161.13293	9.7
163.03842	8.6
217.19543	34.0
231.05086	16.0
235.20537	61.9
253.21603	100.0
265.09610	7.1
271.22665	89.4
299.05469	44.9
341.14056	7.4
346.82947	7.0
359.07697	8.4
450.14444	21.0
522.20892	15.0
554.23492	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.3
55.05503	21.6
57.03441	6.1
57.07061	5.7
67.05501	24.2
69.03444	21.6
69.07058	38.2
69.39465	8.9
69.39850	10.9
70.06577	4.6
79.05495	11.0
81.03413	15.9
81.07044	41.4
83.08630	30.8
85.02893	52.9
87.00828	25.6
88.60172	4.4
91.05477	12.3
93.07034	21.9
95.08603	40.9
97.02899	17.6
97.06504	7.0
97.10168	31.4
105.01873	13.2
105.06984	7.0
107.08598	6.8
109.02886	19.6
109.10170	19.5
111.11747	14.4
119.08606	12.4
121.10121	23.7
123.11709	11.4
125.13275	4.8
127.03900	43.1
133.10127	12.0
135.11713	19.1
137.09525	6.8
137.13297	5.6
141.05453	5.0
145.05000	6.6
147.04448	4.4
147.11691	6.8
151.11183	4.4
151.14830	6.2
161.13229	9.0
163.03897	14.5
165.12733	7.2
217.19540	33.2
231.05029	16.3
235.20531	47.4
237.10208	4.6
253.21625	100.0
271.22672	67.7
271.31006	4.5
340.13602	6.0
369.13641	6.4
522.21106	10.5
554.23901	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87035	1.4
55.01860	2.2
55.05512	4.2
55.76865	1.1
57.03428	5.5
65.03944	1.8
67.05502	5.4
69.03423	5.0
69.07063	1.5
70.22845	3.6
71.04988	1.9
79.05487	9.8
81.03427	2.2
81.07040	6.0
83.04969	10.5
85.06532	1.7
91.05469	20.5
93.07031	21.2
95.04958	95.5
95.08611	7.7
95.09129	1.2
96.05296	1.8
97.06538	3.6
101.06013	1.5
103.05458	1.5
105.04496	1.4
105.07018	47.1
107.04975	2.2
107.08576	20.1
108.08110	3.1
109.06517	11.0
109.10139	2.4
115.05442	2.2
115.66560	1.3
116.06246	1.8
117.06992	17.0
119.08569	26.1
121.06505	9.2
121.10132	11.8
123.08060	5.1
125.06001	3.4
128.06192	4.4
129.07019	8.1
130.07770	9.6
131.08549	25.1
131.09448	1.9
132.55899	1.4
133.06483	30.4
133.10130	16.7
135.08043	10.7
135.11682	6.3
137.06000	1.9
137.09608	4.5
141.07021	1.9
142.07785	5.5
143.08553	16.5
145.10110	100.0
146.10432	1.8
147.08028	10.8
147.11650	11.8
149.09604	13.9
151.07556	5.9
152.02203	1.4
153.09061	2.6
155.08575	4.3
156.09290	2.6
157.10097	10.9
158.07259	3.0
159.11618	6.1
161.09631	8.8
161.13274	6.5
163.07545	1.4
163.11163	14.1
165.09094	3.0
167.10753	1.4
171.11703	6.1
173.09605	33.5
173.13245	1.9
175.11205	5.6
175.14775	6.1
179.10703	1.9
185.13239	13.4
187.11150	3.6
189.12753	9.1
191.10640	34.3
195.11693	4.0
202.99710	1.5
203.14273	20.6
205.12250	1.7
207.10167	4.3
207.13766	1.9
209.11798	2.5
213.12727	10.7
221.15279	1.3
231.13766	53.6
231.16020	3.0
249.14882	15.3
262.18051	3.7
265.14459	2.2
287.16330	1.6
305.17355	1.4
336.21524	2.1
353.13727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77053	0.6
53.03931	1.3
54.87281	0.5
55.05257	0.8
55.05504	11.6
57.07043	1.0
62.95164	0.5
63.20667	0.6
67.05489	2.0
69.06747	0.8
69.07061	6.8
70.94250	1.2
71.95840	0.7
79.05479	4.6
81.07033	2.9
83.04971	25.7
91.05464	11.5
93.07035	4.3
95.01831	0.7
95.04940	1.6
95.08596	2.6
101.06013	4.3
105.06345	1.1
105.07011	14.6
107.04987	0.8
107.08575	4.6
109.06448	0.9
109.10136	0.8
115.05436	2.9
117.07005	4.6
117.23689	0.6
119.08569	9.8
121.10123	1.9
128.06212	16.3
129.06990	20.3
131.08562	8.8
133.06474	0.7
133.10124	6.9
135.08073	0.6
141.06938	4.3
142.07750	12.9
142.83250	0.6
143.08542	43.4
144.09111	0.9
145.10065	4.1
147.08037	1.8
147.11624	1.2
149.09641	0.7
152.06436	0.7
155.06046	2.0
155.08513	3.0
156.09366	5.0
157.10104	30.9
158.10852	0.9
159.11638	2.6
161.09610	5.3
161.13222	2.4
169.10101	2.9
170.10860	1.6
171.11626	6.0
175.14859	1.1
183.10118	2.0
183.11607	1.0
184.12418	3.1
189.16330	1.3
198.97343	0.8
199.14789	100.0
200.15103	2.3
217.15842	10.0
249.05629	0.7
259.16888	3.4
275.77179	0.7
277.17865	1.0
353.99976	0.6
554.33685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.8
57.07062	1.6
69.07039	3.0
69.36985	1.9
79.05482	4.8
81.07044	4.6
82.39507	1.7
83.04978	20.8
85.06534	1.9
91.05484	9.5
93.07018	7.4
95.04954	2.9
101.06023	4.3
104.10724	5.4
105.07023	15.8
107.08591	7.3
107.45309	1.6
117.07014	7.1
119.08546	10.9
121.10117	2.2
121.32402	2.5
128.06215	10.1
129.06996	16.1
129.70146	1.8
131.08582	9.5
133.10115	2.7
138.56607	1.6
141.07010	3.2
142.07796	13.4
143.08551	30.6
144.09341	3.0
145.10107	8.0
155.08556	2.3
156.09326	4.2
157.10120	39.9
159.11649	9.9
170.10858	2.6
171.11697	13.3
181.40704	1.8
184.12427	3.6
198.97427	2.4
199.14807	100.0
200.15102	2.9
217.15919	8.7
238.16167	2.1
259.16925	16.7
348.05609	2.0
378.75775	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.8
59.56136	2.0
67.05492	6.2
69.07050	5.7
69.93115	4.7
69.93475	3.9
79.05479	3.7
79.67252	2.0
81.07037	8.1
83.04966	34.2
91.05447	12.8
93.07024	4.7
95.04942	4.2
95.08598	6.0
97.06498	2.8
99.04438	2.1
105.07021	18.6
107.08587	6.0
109.10123	2.9
115.05458	2.3
117.07007	8.1
119.08564	11.9
121.10136	2.0
128.06197	22.8
129.07002	13.2
131.08565	14.4
133.10106	4.2
141.06975	3.4
142.07785	16.7
143.08543	100.0
144.09326	2.1
145.10089	16.1
147.11720	3.8
155.08597	5.0
156.09343	4.7
157.10109	41.5
159.11661	16.9
161.09613	15.6
171.11656	5.3
183.10141	4.8
199.14780	86.9
201.16354	8.9
217.15883	20.9
219.17622	2.2
234.82104	3.0
258.84515	2.1
259.16888	3.1
277.18048	2.2
304.17538	2.1
356.57407	2.4
440.82288	2.4
485.00635	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72243	1.1
55.01877	1.8
55.05502	6.4
57.03428	4.4
65.03925	1.8
67.05506	7.8
69.03429	1.9
69.07062	2.2
69.79404	4.3
70.80926	1.5
71.04977	4.6
75.11367	1.2
77.57327	1.3
79.05482	14.2
79.19926	1.3
81.07042	12.6
83.04970	9.1
85.06526	2.9
85.12923	1.4
91.05471	41.4
93.07041	15.2
95.04961	22.4
95.08581	7.7
97.06525	5.5
103.05485	3.0
105.07024	63.0
107.04963	3.6
107.08572	6.2
108.08055	1.6
109.06506	6.1
110.09676	3.1
111.04394	1.4
111.08063	1.5
115.05438	10.7
116.06239	2.7
117.07014	64.2
119.04935	3.7
119.08566	21.2
121.06493	8.6
121.10145	3.4
123.08057	3.6
128.06209	19.3
129.06995	47.0
130.07813	11.4
131.08559	52.3
133.06476	9.9
133.10135	22.7
135.08054	4.8
137.09634	2.0
141.06941	6.7
142.07758	16.3
143.08549	48.6
144.09303	3.8
145.06473	6.7
145.10115	65.5
147.08014	10.5
147.11670	6.2
149.09575	6.6
149.61584	1.4
151.07483	2.4
153.06996	3.8
154.07712	2.4
155.06024	3.0
155.08540	22.3
156.09312	7.8
157.10103	26.8
158.07236	3.3
159.08028	4.7
159.11684	12.2
161.09601	13.5
161.13235	5.7
163.07516	1.5
163.11174	3.7
165.06982	4.5
167.08597	1.6
169.10086	7.2
170.10864	1.9
171.08041	4.7
171.11685	18.9
173.09612	100.0
173.13248	3.7
175.11182	14.0
175.14798	3.0
180.09279	4.3
183.10146	1.5
183.11649	2.7
185.09599	1.7
185.13243	27.6
187.11229	4.4
189.12697	6.0
191.10675	16.3
195.11629	9.0
198.10336	2.0
201.12723	2.0
203.14288	15.4
213.12732	20.4
231.13780	41.6
247.13307	8.1
249.14853	5.7
262.18011	2.2
305.17383	1.9
336.21585	7.1
354.22513	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25862	1.8
55.05503	3.6
56.60984	1.9
57.06044	1.9
58.06612	2.1
65.03927	2.0
66.87077	1.7
67.05500	6.8
69.03426	4.3
69.07056	2.9
70.06572	2.0
70.78428	3.1
71.05000	2.9
71.88241	1.7
79.05480	9.6
81.07048	10.6
83.04978	9.1
85.06525	2.3
87.04487	2.4
91.05470	19.9
93.07045	21.3
95.04960	100.0
95.08598	6.1
97.06546	3.6
105.07022	47.6
107.04944	2.1
107.08583	22.6
108.08117	1.9
109.06521	11.7
115.05412	2.2
117.07013	18.0
119.08590	27.9
121.06488	10.9
121.10143	15.6
123.08063	4.6
125.05997	2.3
128.06227	5.1
129.06996	6.5
130.07785	6.5
131.08545	25.3
133.06483	32.1
133.10126	18.1
135.08014	10.9
135.11697	5.7
137.05939	2.1
137.09612	5.5
141.07007	2.5
142.07780	4.4
143.08569	14.5
145.06470	1.9
145.08968	4.6
145.10118	96.1
146.10513	2.7
147.08023	9.8
147.11665	11.5
149.09639	12.4
151.07585	5.1
155.08559	4.1
156.09349	6.7
157.10133	12.3
158.07259	3.7
159.08034	3.6
159.11664	6.6
161.09647	10.6
161.13263	6.9
163.11200	12.8
165.09163	3.0
171.11679	6.9
173.09619	35.3
175.11232	6.6
175.14819	8.2
179.10690	2.3
185.13194	15.0
187.11124	2.4
189.12769	10.2
191.10638	41.9
193.04912	3.4
195.11681	3.8
199.00317	2.0
203.14294	20.4
205.12178	2.7
207.10124	4.6
209.11703	2.5
213.12723	13.4
221.15445	5.3
231.13795	41.7
233.11896	2.1
249.14882	22.7
251.12889	3.4
336.21637	4.1
354.22726	2.7
554.36310	9.0
582.40247	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.01867	1.2
55.05500	3.7
55.63747	0.9
57.03416	1.1
65.03931	1.3
67.05499	8.0
69.03418	2.5
69.07058	2.1
71.04983	3.2
79.05485	11.0
81.07057	12.6
83.04975	8.9
83.15074	0.8
85.06535	3.4
91.05470	36.8
93.07039	14.7
95.04961	17.2
95.08597	5.3
97.06528	4.1
103.05476	3.5
105.04530	1.1
105.07023	54.8
107.04940	2.5
107.08569	7.4
109.06499	5.9
111.08068	1.3
115.05434	9.1
116.06216	2.7
117.07002	51.3
118.17197	0.9
119.04936	3.5
119.08559	18.6
121.06477	7.4
121.10108	3.6
123.08123	2.2
128.06215	14.8
129.06995	36.9
129.07970	1.8
130.07785	9.7
131.08556	43.3
132.08879	1.3
133.06491	6.3
133.09171	1.6
133.10117	20.0
135.08051	4.4
135.11664	1.6
137.09576	1.2
141.06992	4.4
142.07759	12.9
143.08554	37.9
144.09296	2.1
145.06487	4.1
145.10106	64.9
146.10449	1.1
147.08046	10.3
147.11681	3.8
149.06007	1.3
149.09592	4.9
151.07492	2.0
153.06981	4.0
154.07794	1.8
155.06076	1.5
155.08540	16.1
156.09303	7.3
157.10109	25.1
158.07321	2.6
159.08054	3.8
159.11670	12.8
161.09610	11.7
161.13261	4.9
163.07570	1.5
163.11169	2.8
165.06990	2.4
169.10072	5.3
170.10901	2.8
171.07968	3.0
171.11684	11.7
173.09604	100.0
173.13042	2.6
174.09975	2.2
175.11177	13.3
175.14815	2.9
175.64417	0.9
177.09100	1.5
179.10611	1.7
180.09358	2.1
183.11707	2.1
185.09703	1.4
185.13237	24.7
187.11172	4.4
189.09108	1.2
189.12759	4.5
191.10638	17.7
195.11600	5.9
198.10356	1.7
201.12746	2.3
203.14305	19.4
213.12711	19.4
219.13719	1.2
219.31525	1.1
231.13773	28.8
231.16037	1.9
233.11685	6.0
249.14891	4.9
264.25507	1.1
291.15805	1.6
309.17157	1.9
336.21695	5.9
354.22684	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	554.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20006	1.9
51.50593	1.8
55.05507	23.4
57.07066	4.0
67.05504	11.3
69.07060	8.4
69.28589	8.4
73.06575	1.8
79.05499	11.4
81.07048	29.7
83.04974	55.2
85.06526	2.8
91.05473	19.5
93.07035	28.3
95.01151	1.8
95.04971	3.6
95.08590	30.4
99.04464	7.7
101.06021	11.0
103.05502	2.6
105.07019	72.5
107.08582	26.7
109.10148	14.6
115.05490	3.2
117.07008	13.9
117.70785	1.6
119.08574	50.1
121.10141	16.3
123.11726	6.7
128.06224	3.0
129.06996	5.8
130.07799	4.5
131.08562	24.8
133.10112	26.6
135.11676	4.9
136.09879	1.7
141.06995	2.1
142.07787	4.2
143.08542	14.5
144.09363	5.5
145.10115	68.7
146.10527	2.2
147.11664	45.0
149.13210	4.7
157.10155	9.8
158.10930	2.3
159.11674	69.5
159.12943	3.9
161.13231	39.1
163.11148	3.9
163.14796	3.7
171.11603	1.9
173.13206	9.2
183.10144	10.8
189.16405	4.7
199.14845	12.9
201.11237	3.0
201.16362	100.0
202.16649	4.0
203.17926	38.2
219.17422	70.1
229.38237	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47558	1.3
55.05258	2.6
55.05508	31.9
57.07066	2.4
59.04988	2.2
63.48664	1.4
67.05499	6.9
69.07055	7.6
70.83041	1.2
71.04984	2.4
73.06564	1.4
79.05473	5.5
81.07057	14.2
83.04978	100.0
83.08611	2.2
85.06531	3.8
89.06016	1.4
91.05466	8.1
93.07043	12.6
95.04977	1.9
95.08615	15.7
97.06561	1.4
99.04426	2.2
101.06017	15.1
105.07044	16.8
107.08592	9.3
109.06520	2.1
109.10136	6.6
110.77813	1.2
117.06989	1.6
119.08575	10.5
121.10139	9.6
123.11701	6.2
131.08562	7.5
133.10141	9.4
135.08023	1.5
135.11676	7.1
137.13222	3.2
145.10126	15.6
146.10457	1.8
147.11664	4.6
149.13239	3.2
157.10104	1.9
159.11681	12.7
161.13263	8.6
163.11192	4.3
175.14793	2.5
177.16328	1.7
183.10136	13.8
191.17920	3.3
201.11223	2.4
201.16370	17.8
219.17445	9.6
237.18486	2.1
248.93932	1.3
266.88593	1.3
284.28241	1.6
534.10553	1.3
543.96674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41745	1.2
50.83133	1.4
55.05504	13.1
56.18030	1.5
57.07073	3.2
67.05507	10.8
69.07052	6.4
69.18101	3.9
69.18507	4.8
74.09706	6.6
79.05486	8.5
81.07044	22.6
83.04967	21.2
83.08625	3.1
89.48715	1.4
91.05479	15.1
93.07052	11.4
95.08597	27.5
97.49528	1.2
105.07019	55.2
107.08583	22.0
109.10142	24.6
119.08572	43.2
121.10114	11.0
123.11710	6.5
131.08571	4.1
133.10117	26.5
135.11681	2.9
145.10144	5.2
145.49594	1.4
147.11670	93.8
148.12093	1.4
149.13258	1.7
151.11179	1.3
159.11696	2.9
161.13251	16.1
161.14384	1.8
163.14818	4.5
175.14876	2.9
203.17934	100.0
204.18306	3.0
221.19060	3.5
225.28563	1.3
321.13174	3.8
352.87921	1.3
555.36487	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59184	3.5
55.05503	10.9
57.07056	4.9
66.12174	3.7
67.05495	10.3
69.07072	6.5
70.50478	3.5
79.05485	6.6
81.07047	16.5
83.04974	26.0
83.08637	5.2
91.05479	10.2
92.79224	3.8
93.07034	16.8
95.08606	29.6
103.62201	3.7
105.07018	52.2
107.08578	21.3
109.10158	19.0
114.50506	3.3
119.08566	33.5
121.10129	12.2
123.11671	8.0
131.08563	4.2
133.10112	26.4
135.11694	5.4
145.10143	4.2
147.11668	90.4
161.13214	17.0
163.14787	5.4
203.17934	100.0
203.19847	5.0
204.18172	4.1
350.77539	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65576	0.4
63.02383	0.7
79.05493	2.3
89.03912	14.7
89.04464	0.8
93.68910	0.4
95.04950	1.1
107.04973	3.7
111.04404	0.6
112.94030	0.4
117.03370	13.3
117.04204	0.7
121.02414	0.3
135.04405	25.3
139.03908	0.7
145.02843	15.5
146.03194	0.4
163.03889	100.0
164.04257	1.1
182.74971	0.4
184.05331	0.4
185.06007	0.6
199.03979	0.5
203.06989	0.5
213.05450	0.8
215.03375	0.9
226.02528	0.4
227.03410	0.4
231.06459	0.9
241.04938	1.5
242.05658	0.6
243.06448	0.5
244.03766	0.5
245.80182	0.4
251.11613	0.4
254.02055	1.1
255.06468	1.3
257.04495	0.4
257.08084	0.5
258.05222	4.7
259.05991	2.3
266.05612	0.5
266.50906	0.4
269.04391	1.8
279.11188	0.9
286.04517	0.8
287.05493	1.2
297.03952	0.9
297.12445	0.7
301.07010	1.4
315.04865	1.2
315.08582	1.1
319.08167	1.4
321.12448	0.6
329.06531	5.5
339.13345	1.1
347.07599	10.4
357.06036	2.3
357.14349	0.5
365.08698	0.6
375.07077	3.5
390.91922	0.4
393.07986	1.2
393.69128	0.4
537.10571	0.5
537.18463	0.7
555.15533	0.7
555.26050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
69.03420	2.2
71.42550	0.2
73.02899	0.5
73.41605	0.2
85.02896	100.0
86.03230	0.8
91.81899	0.2
95.08620	0.2
97.02878	5.4
114.69955	0.3
115.03920	3.7
127.03905	14.7
139.03900	0.8
157.04948	20.6
158.05362	0.4
158.64520	0.2
163.03867	0.4
175.06003	27.0
176.06467	0.2
213.00955	0.3
213.08479	0.3
233.78967	0.2
234.06792	0.2
235.07614	0.3
256.06366	0.2
262.06332	0.3
277.08493	1.1
291.06543	0.3
295.09702	0.2
305.08124	1.0
319.06094	0.4
333.07565	1.6
335.09332	0.4
337.10641	0.3
351.08691	1.0
363.08795	1.0
375.26117	0.2
381.09634	6.5
382.10059	0.3
555.21619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.3
56.43253	1.7
57.03432	6.3
57.07074	31.7
64.28441	1.7
65.85380	1.5
67.05500	8.8
69.07059	4.1
69.59849	4.5
71.08629	17.8
76.39024	1.4
81.03419	4.6
81.07032	12.2
83.08612	6.4
85.10175	10.6
89.06029	1.9
95.08608	17.7
97.10193	3.4
98.98463	82.0
109.02872	4.5
109.10181	9.0
116.99511	2.4
123.11694	1.9
137.13316	2.3
155.01033	100.0
239.23677	10.3
283.55930	1.7
313.27368	68.7
314.27866	1.8
317.06256	8.7
320.60858	1.6
393.23999	5.6
401.28970	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	555.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87470	0.7
55.05508	1.0
55.60469	0.7
67.05490	1.6
73.54700	0.6
79.05482	1.6
81.07040	2.6
83.04960	1.2
86.34010	0.8
91.05472	1.8
93.07043	1.7
93.64053	0.7
95.04958	2.3
95.08583	1.5
98.23266	5.3
105.07012	2.9
106.38751	0.8
107.08573	1.4
117.06998	1.1
119.08569	2.3
119.31277	0.7
123.04166	2.1
131.08554	2.1
135.08014	1.0
141.06972	0.7
141.50662	0.7
145.10101	2.3
155.08586	1.0
157.10136	1.7
159.11685	1.0
175.92319	0.7
223.09389	25.7
255.13583	2.7
355.18744	100.0
356.19016	3.4
438.00592	0.9
573.35944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2926
Annotation	Acrovestone
Peak:m/z	Relative Intensity
55.05504	3.1
67.05485	2.9
69.73096	6.5
69.73415	2.0
81.07068	3.1
85.47321	2.0
91.05447	2.7
95.51836	2.0
98.22763	4.1
98.23331	3.4
105.07017	2.5
114.85886	2.0
131.08452	2.1
185.94124	2.1
224.65198	2.4
396.46387	2.3
555.29163	100.0
556.29492	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	555.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.01857	12.9
55.05500	15.7
56.17393	2.6
57.03427	3.1
57.07065	4.8
65.03927	3.7
67.05502	26.2
69.07059	15.0
69.84995	9.7
70.54575	2.4
77.03971	3.2
79.05486	36.5
81.03418	7.5
81.07048	35.7
82.07426	2.9
83.04961	8.6
83.08607	5.6
91.05470	39.8
93.07025	28.0
95.04964	11.6
95.08598	21.0
97.06519	25.5
98.98465	6.4
105.07012	47.0
107.04939	13.4
107.08576	14.4
109.06503	3.5
109.10175	6.9
117.07024	11.9
119.08553	19.3
121.10128	6.2
123.08089	5.1
129.07027	7.7
131.08554	8.3
133.10092	20.2
134.48865	2.5
135.11717	4.6
143.08618	5.1
145.10114	15.9
147.11668	15.4
149.09572	5.1
155.01054	11.8
157.10143	2.7
159.11708	7.2
161.09671	2.6
161.13219	5.1
163.11153	4.2
171.11708	7.6
179.14320	7.1
201.16425	3.8
207.13777	4.5
222.80591	2.6
257.19049	4.7
274.48724	2.7
275.20026	43.3
279.15942	3.9
313.27368	9.2
422.41754	3.0
555.29181	100.0
555.36798	16.8
556.29199	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	555.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02610	1.1
55.05509	16.1
57.03427	2.9
57.07072	2.9
60.08157	1.3
67.05489	4.5
68.11162	1.2
69.03410	1.6
69.07063	7.9
69.20587	5.8
71.07381	1.4
73.06545	4.4
79.05476	8.1
81.07038	9.6
83.04969	16.7
85.06537	2.1
86.09695	5.0
88.53411	1.0
91.05475	17.4
93.07026	11.5
95.04970	3.7
95.08587	8.2
97.06509	1.9
97.10094	1.3
101.06010	30.7
104.10735	22.5
105.07024	22.3
107.08588	9.0
109.06503	1.7
109.10158	3.3
115.05402	1.6
117.07006	11.8
119.07089	9.5
119.08580	14.3
121.06474	4.2
121.10111	4.4
128.06209	13.6
128.07104	2.0
129.06985	23.3
130.07800	1.8
131.08568	17.9
132.08925	1.2
133.06450	1.4
133.10123	13.9
135.08038	2.2
135.11681	2.0
141.06985	3.4
142.07765	16.0
143.08549	47.3
144.09290	3.4
145.10107	15.0
147.08011	6.1
147.11687	6.1
149.09641	1.2
155.08470	2.7
156.09343	7.7
157.10106	44.5
157.11401	2.4
158.10736	1.7
159.10403	1.4
159.11678	19.8
161.09601	17.3
169.10103	2.3
170.10818	1.9
171.11682	14.2
173.09645	1.6
173.13223	5.4
173.74814	1.1
175.11186	2.8
175.14857	3.5
177.12653	2.7
183.10152	1.6
184.12485	2.9
189.16405	6.0
199.14799	100.0
200.15143	2.8
201.11194	5.2
201.16374	8.9
217.15848	71.0
218.16144	2.3
218.56567	1.2
235.16853	4.8
259.16904	14.9
275.20059	1.8
277.17902	4.7
352.05453	4.9
358.61084	1.3
497.20386	5.2
504.86368	1.3
542.33728	1.4
555.37189	1.9
556.27448	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	2.2
53.03939	8.3
55.01867	32.4
55.05502	21.0
57.03413	2.1
57.07065	4.2
59.94293	1.3
65.03922	5.6
67.05500	68.0
67.52477	1.6
69.03429	3.3
69.07060	35.9
69.76025	5.4
71.04981	3.2
73.45589	1.5
77.03958	1.9
78.28420	1.3
79.05486	77.5
81.03409	13.3
81.07048	69.8
83.04980	19.4
83.08601	7.8
85.06548	2.7
86.75227	1.4
91.05471	88.8
91.76617	1.3
93.07037	61.4
95.01317	12.4
95.04961	31.1
95.08597	48.7
97.02872	2.6
97.05885	3.1
97.06519	62.9
97.10153	4.5
98.22748	2.7
98.23352	2.9
98.98485	1.9
103.05464	2.2
105.04533	8.5
105.07018	91.4
106.07409	1.8
107.04946	27.1
107.08581	25.2
109.06535	8.4
109.10136	10.7
111.08061	4.9
115.02396	1.4
115.05425	2.1
117.07003	21.3
119.07734	3.1
119.08574	41.3
121.06487	5.6
121.10124	9.5
123.04449	1.9
123.08053	7.2
123.11680	2.9
125.09659	2.3
128.06175	3.8
129.07004	12.1
131.08553	22.1
132.87440	1.4
133.06491	3.2
133.09177	3.0
133.10123	44.2
135.08051	3.3
135.11705	9.0
137.09608	3.3
139.07497	2.7
141.06961	3.2
142.07724	2.1
143.08528	12.0
145.06470	3.6
145.10114	20.6
147.08078	2.0
147.11671	33.4
149.09587	10.5
149.13245	3.7
151.11195	1.7
155.00995	4.6
155.08537	2.2
157.10094	4.3
159.08069	1.5
159.11694	14.1
161.09601	2.9
161.13251	17.5
162.77930	1.4
163.11171	6.9
169.10118	3.0
171.11693	14.2
173.13235	6.6
177.12708	4.5
179.14294	20.0
185.13185	1.8
187.11220	2.9
189.12766	8.0
195.13756	2.1
197.13139	2.5
201.16425	3.6
207.13828	9.0
229.19475	2.4
239.17799	2.1
241.14357	1.8
247.20546	3.7
257.19037	7.5
259.20477	3.4
262.71011	1.4
275.20029	100.0
276.20276	2.6
279.12506	1.3
279.15735	8.9
281.17590	2.3
293.20941	10.0
313.27499	2.7
335.90851	1.5
349.23456	2.5
361.20566	1.6
411.42737	1.7
523.41919	1.6
537.36041	2.8
555.29022	7.0
555.36719	45.9
556.36987	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	556.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	3.0
69.79536	4.4
72.16264	1.8
86.67973	1.8
86.86737	1.7
91.05479	2.0
93.03385	6.2
98.23414	2.8
100.62957	1.8
103.05461	2.4
107.04940	2.5
111.04424	14.0
123.04488	2.8
131.04932	9.9
132.91710	2.1
133.02893	1.7
135.04359	10.6
137.02335	10.2
137.32933	1.8
139.03885	20.2
159.04425	7.6
163.03947	2.5
165.06990	2.5
176.06177	2.9
177.05565	2.1
177.07008	3.0
181.04944	11.0
187.03896	16.0
193.06534	2.7
203.03438	4.6
205.06483	18.5
221.05969	16.8
223.07518	39.7
225.05453	7.4
233.05946	33.1
234.06570	3.2
239.06963	4.2
249.05510	23.8
250.06337	2.4
251.07013	44.8
253.04945	33.6
261.05432	15.4
267.06473	8.1
269.08096	8.9
277.04965	9.0
279.06500	67.7
295.05981	41.2
296.06509	2.0
297.07520	19.9
313.07028	8.6
323.05322	4.7
327.65222	2.0
341.06540	100.0
342.06784	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.2
65.03931	8.7
69.17854	14.2
70.06569	3.1
74.68398	1.9
81.03409	3.5
89.03920	4.1
91.05487	8.4
93.03402	12.0
95.04955	2.3
103.05491	4.6
107.04926	12.9
111.04440	44.3
117.03387	3.6
119.04940	4.0
123.04441	4.9
131.04936	9.9
135.04407	50.8
137.02338	23.7
137.05937	6.6
139.03883	82.2
140.59740	2.0
141.07053	2.9
143.04897	4.9
145.02838	7.1
147.04410	6.0
159.04366	5.4
161.06029	3.0
163.03889	86.5
165.05605	2.9
165.06932	13.0
167.08665	2.7
169.06566	5.2
175.03851	4.0
176.06116	2.6
177.05536	2.7
177.06946	4.8
179.03419	8.1
181.04942	100.0
182.05293	2.9
187.03865	17.7
193.06419	10.2
195.08057	6.0
197.05965	20.2
203.03360	5.1
205.04846	4.3
205.06560	12.4
211.07570	7.3
221.05948	18.6
223.07500	40.6
225.05458	4.3
232.07155	2.8
233.05930	17.5
239.07013	43.8
241.08568	4.0
244.06187	3.5
249.05429	26.8
251.07019	39.8
253.04971	14.1
255.06444	2.5
261.05542	4.9
267.06430	14.6
269.08148	8.1
277.04919	12.5
279.06497	36.8
285.07462	19.4
295.06003	34.2
297.07684	19.4
313.06970	11.8
323.05460	5.4
341.06552	40.5
512.18170	5.8
556.16595	12.7
557.17108	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	556.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31378	1.9
52.13044	1.7
65.03934	4.3
69.18944	2.9
69.19355	7.4
79.05481	2.7
79.10158	1.6
81.07065	4.1
85.02917	3.1
89.03906	4.2
91.05470	10.2
92.05035	2.4
93.03417	2.0
98.22765	3.6
107.04978	2.3
109.06531	3.0
110.06038	20.5
111.04483	4.9
117.03393	4.0
119.04958	6.1
123.04431	15.2
134.06020	21.2
135.04402	8.3
135.06775	3.8
136.07616	2.1
137.05974	100.0
138.05495	66.0
138.06573	2.5
139.03909	3.3
145.02870	6.9
152.07069	10.2
161.02350	2.0
162.05521	3.1
163.03905	92.5
164.04373	1.7
165.05472	46.5
165.06799	3.1
178.05006	6.4
180.06549	82.9
182.05806	2.5
197.08090	33.5
207.92609	1.8
238.08693	2.4
249.05577	2.0
266.08279	3.3
284.09186	4.2
294.07932	2.5
312.08704	3.3
358.88901	2.0
360.10995	3.1
419.57492	1.8
492.12946	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	556.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60744	1.5
55.01868	1.8
56.77006	1.5
65.03934	3.8
70.06597	3.4
71.03211	2.3
79.05471	3.2
89.03928	3.9
91.05463	9.8
91.94908	1.6
93.03411	2.6
104.12800	1.7
105.01856	2.3
107.04945	2.2
109.06517	2.6
110.06035	20.2
111.04471	2.6
117.03397	3.4
119.04955	7.5
123.04424	17.0
134.06006	18.2
135.04413	10.1
135.06766	3.1
136.07608	1.4
137.02376	2.1
137.05971	100.0
138.05490	68.5
145.02818	8.8
148.04018	2.0
152.07095	8.7
162.05484	2.8
163.03894	90.7
165.05455	43.4
173.18495	1.7
175.72594	1.4
176.39119	1.7
178.05013	6.2
180.06544	82.3
182.05730	2.1
183.62613	1.5
197.08058	30.4
251.07086	1.7
266.08139	4.7
284.09204	4.2
294.07693	2.3
312.08563	3.1
349.22809	1.8
360.10745	3.5
492.13123	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	556.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20889	1.2
65.03930	4.0
69.03439	1.8
69.28793	6.5
72.69028	1.3
79.05479	1.6
81.03403	4.0
85.02901	1.6
89.03908	5.5
89.17169	1.3
91.05455	3.4
93.03397	4.2
95.04992	1.7
107.04945	8.5
109.02876	1.7
111.04448	22.1
115.05454	2.1
117.03376	5.9
119.04926	2.5
123.04449	2.4
131.04913	5.0
135.04407	34.8
137.02335	10.4
137.05974	5.3
139.03886	42.0
139.04970	2.1
140.28319	1.2
143.04948	3.3
145.02811	10.7
147.04407	3.7
155.66394	1.1
159.04401	2.4
163.03891	100.0
165.06960	6.1
169.06465	3.8
177.06984	2.5
179.03389	3.0
181.04947	48.6
187.03896	8.8
193.06465	5.2
197.05954	9.3
205.06488	3.7
211.07518	2.3
221.05914	8.3
223.07529	20.1
225.05408	2.5
231.02824	1.3
232.07097	4.4
233.05743	8.8
239.07034	20.9
241.08662	1.4
249.05434	12.5
251.07016	22.1
253.04942	6.5
261.05463	3.5
267.06519	8.0
269.08078	4.9
271.03897	1.6
277.04834	6.3
279.06509	16.2
285.07535	5.2
295.05994	17.4
297.07669	7.6
307.08072	2.6
313.06970	5.1
323.05603	2.0
325.09186	3.9
341.06491	19.8
470.17288	1.3
502.55759	1.4
512.18219	16.6
556.17126	18.7
557.16437	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	556.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67455	2.4
53.03944	2.2
55.05489	2.6
57.03424	6.8
65.03945	2.7
67.05492	6.2
67.94333	2.1
68.03624	2.1
69.03423	28.4
69.07039	2.2
70.06579	9.2
79.05511	2.7
81.03418	2.4
81.07047	7.6
85.02904	18.8
86.09693	6.6
87.04458	16.0
89.03911	3.0
89.81236	2.2
91.05475	100.0
93.07054	7.0
95.08598	7.8
96.08105	3.5
97.02883	24.5
97.06540	2.7
97.65137	2.6
98.67810	1.9
100.94342	2.2
105.07029	4.4
107.08533	2.1
110.09677	4.8
110.68654	1.9
111.04459	2.9
115.03938	29.2
116.82904	2.7
117.03393	4.3
119.08624	3.0
120.08072	4.1
127.03909	5.5
133.04971	31.6
133.17035	2.2
135.04375	6.0
135.11641	2.2
137.13211	3.5
138.09142	7.4
139.03938	3.0
139.14542	2.2
145.02824	4.7
145.04927	3.1
151.03899	9.5
161.13261	6.5
163.03896	23.3
166.08656	13.7
169.05048	2.6
172.03970	2.6
174.61833	2.2
177.05475	2.6
179.14250	12.6
181.04959	3.0
197.15373	7.1
204.06546	6.8
231.13695	2.7
245.08075	2.5
253.09764	2.4
265.09573	5.5
267.53525	2.3
269.08142	5.3
281.04340	5.9
281.09280	3.1
295.10800	3.0
297.07343	2.2
299.05316	2.7
311.09741	3.4
312.19138	3.1
318.11273	2.3
321.08640	3.0
323.09152	2.8
323.18503	3.3
341.06464	5.1
353.10931	6.2
359.12357	3.9
371.12061	3.0
438.28104	2.4
492.17731	6.3
506.19153	6.9
524.19849	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	556.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93333	2.7
56.04535	2.6
69.12488	8.0
69.12901	10.7
85.02908	6.6
97.02861	3.7
115.05527	3.0
122.03657	5.3
129.06972	9.4
129.87535	2.5
131.04903	10.9
137.05959	100.0
145.06485	3.5
147.04282	3.1
149.05983	5.5
157.06461	20.6
163.07581	4.8
174.06773	7.4
175.07510	7.5
187.07523	4.8
189.09081	41.5
203.08545	5.0
205.08574	11.3
217.08557	35.4
219.08102	6.0
231.08011	8.0
235.09598	65.6
248.08180	5.5
259.07489	3.3
263.10715	6.7
264.07819	3.5
265.28076	3.0
276.07971	3.0
279.06540	2.9
279.10034	6.4
291.10138	25.8
311.12653	9.6
323.12830	24.5
329.13797	12.0
341.13870	16.6
356.05579	3.0
385.12448	3.4
524.36304	3.1
556.18964	6.2
557.15802	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	556.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77383	1.3
55.01871	2.5
55.04274	1.2
66.75100	1.2
69.03407	1.8
70.79777	1.7
77.03902	1.4
79.05484	3.7
85.02891	6.4
91.05478	27.2
93.07037	1.5
95.04987	2.9
97.02910	1.6
103.05458	39.3
105.03383	5.3
105.07018	13.1
107.04984	2.6
108.77143	1.5
109.06506	5.7
111.04464	2.4
115.05444	3.2
119.04937	36.3
121.06503	3.9
122.03632	2.5
123.08094	3.8
129.06978	2.1
131.04916	100.0
133.02864	5.4
133.06477	14.0
135.04440	3.4
137.05965	75.2
139.03917	2.4
143.06055	1.9
147.04398	15.3
149.05975	5.6
151.07532	17.3
159.08067	2.7
161.05972	63.2
162.06758	4.1
163.03937	3.1
163.07527	48.0
165.05516	3.1
168.85895	1.3
172.05190	1.5
173.06140	1.6
173.55348	1.4
174.06776	1.4
175.07526	16.7
178.62512	1.4
179.07027	19.6
181.04965	2.4
187.07529	13.9
189.09097	4.8
193.08571	3.7
203.08670	1.4
205.08548	10.0
217.08643	3.9
219.07959	3.6
231.07965	1.8
235.09645	4.1
247.07541	1.9
251.10686	3.1
259.07727	1.6
279.06488	1.9
279.10129	4.6
291.10101	6.8
295.05905	1.9
297.07425	1.5
309.11255	6.9
311.12701	10.1
313.97827	1.3
323.12802	6.4
329.13776	5.7
341.13782	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	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.5
65.03928	1.9
69.03398	2.0
69.25576	3.1
69.25983	5.2
71.16909	1.3
76.05826	1.3
77.03919	2.2
79.05488	5.8
81.06998	2.1
85.02896	5.8
86.29210	1.2
91.05468	34.5
94.04147	2.5
95.04951	3.6
98.23431	3.1
103.05455	49.8
105.03387	6.2
105.04519	2.8
105.07018	21.1
107.04943	4.5
108.05765	1.7
109.06519	9.4
115.05441	5.5
117.07000	1.4
118.04180	1.5
119.04924	49.3
119.08586	1.8
121.06508	5.5
122.03632	5.1
123.08072	3.7
129.06985	4.1
131.04910	100.0
132.05264	2.2
133.02864	7.2
133.06474	21.9
135.04367	4.1
137.05965	77.5
138.06358	1.6
139.03893	3.1
143.04971	1.8
143.06036	2.8
145.04922	1.7
145.06494	2.6
147.04410	18.8
147.08046	2.4
149.05981	4.8
150.06761	2.0
151.07524	19.8
157.06552	2.1
159.08057	4.6
159.22662	1.3
160.05096	1.9
161.05965	63.3
162.06667	6.9
163.03912	5.5
163.06177	2.7
163.07524	44.9
165.05443	3.3
172.05228	2.0
174.06705	2.2
175.07510	19.3
177.51833	1.4
179.07034	18.2
181.04941	2.9
187.07510	16.4
189.09088	4.1
190.06245	1.5
193.08566	4.3
205.08521	9.9
207.07954	1.5
217.08586	3.8
219.07988	4.3
223.07545	2.1
235.09619	3.5
247.07611	1.9
251.10651	5.7
259.07300	2.1
276.04715	1.4
276.07831	2.2
279.07053	1.3
279.10162	5.4
291.10046	4.5
296.10175	1.6
298.36099	1.5
309.11087	7.0
311.12701	11.7
323.12634	3.9
329.13898	3.8
339.74292	1.3
341.06766	1.7
341.13721	8.5
461.53882	1.6
504.66891	1.4
569.43500	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	5.2
61.26393	1.8
63.80674	2.0
65.03944	12.1
69.03427	4.9
69.51922	6.7
69.52328	4.1
79.05474	5.8
81.03398	2.7
85.02904	5.1
89.03909	2.4
91.04601	2.0
91.05466	36.3
91.23504	2.1
93.03400	17.6
95.04955	4.9
103.05453	48.6
105.03390	8.6
105.07008	21.9
107.04945	16.8
109.02768	2.8
109.06512	7.4
111.04430	52.6
111.96284	2.1
115.05421	6.7
119.04932	47.5
121.06470	3.8
122.03597	4.3
123.04422	4.7
123.08065	3.3
129.07007	2.6
131.04910	100.0
133.02840	7.7
133.06487	17.6
135.04410	37.0
137.02333	23.9
137.03281	3.7
137.05106	1.5
137.05960	79.2
139.03883	82.4
139.04980	4.1
143.04951	4.9
143.06004	3.0
145.02765	4.2
147.04384	20.2
149.05966	5.2
151.07478	17.3
159.04384	6.1
159.08035	3.0
160.05193	4.2
161.05968	72.8
161.07309	4.1
162.06680	6.1
163.03889	37.9
163.07516	45.7
165.05620	4.2
165.07011	12.9
169.06454	6.3
175.07521	22.4
177.06950	6.1
177.13733	2.1
179.03415	2.5
179.07002	22.1
181.04938	73.2
187.03894	16.0
187.07547	19.3
193.06532	12.3
197.05942	18.9
205.06471	16.0
205.08578	12.6
211.07489	7.2
217.08553	6.1
219.07990	5.2
221.05974	19.2
223.07518	46.1
225.05389	4.0
231.02867	3.2
233.05942	21.2
235.09604	2.6
239.07016	37.6
241.08525	7.8
247.07623	3.5
249.05450	32.9
251.07007	34.6
251.10730	5.0
253.04944	14.0
261.05463	6.3
265.79681	2.7
267.06503	6.6
269.07977	11.8
277.05011	11.4
279.06509	29.2
279.10107	7.2
285.07568	8.3
290.47482	2.1
291.10056	7.4
295.05972	31.7
295.32422	2.4
297.07520	12.5
309.11090	7.8
311.12766	15.5
313.07010	9.6
323.05515	3.3
323.12616	5.0
329.13776	5.8
341.06586	37.9
341.13480	11.5
359.04117	2.4
372.33484	2.4
392.10614	2.3
481.07904	2.3
557.21173	3.8
571.44354	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85293	2.6
66.40694	1.8
67.00211	1.8
69.20694	6.1
69.21088	3.7
75.13743	2.0
85.02872	3.7
89.03902	5.9
91.05484	2.9
93.03378	3.5
98.22729	4.7
103.05419	2.6
107.04940	3.2
109.02863	3.6
111.04422	9.8
117.03370	5.9
119.04943	2.4
122.03698	2.9
127.03918	2.0
129.06946	2.0
131.04933	7.5
135.04402	23.7
137.02365	5.1
137.05949	36.6
138.79726	1.9
139.03899	15.4
141.25063	2.2
145.02829	10.5
147.04378	4.5
152.30862	2.4
161.05917	3.0
163.03889	100.0
175.07437	4.4
181.04918	20.4
187.03871	5.9
187.07475	12.6
189.09142	7.2
193.06441	3.3
197.05962	3.2
203.08434	1.9
205.06563	4.3
208.97197	1.9
211.07576	2.4
217.08514	8.1
219.08008	3.2
221.05948	3.4
223.07477	13.1
231.08066	2.4
233.06108	2.6
239.07043	7.6
242.75023	1.9
248.08142	3.0
249.05444	5.4
251.07040	10.7
253.05064	2.9
279.06540	5.1
285.07532	2.7
291.10123	5.3
295.06015	6.2
297.07312	3.0
307.07986	2.6
311.12720	5.7
315.28217	2.2
323.12817	6.1
325.09232	4.2
341.06485	9.2
341.13657	14.0
372.75003	2.1
557.16150	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	556.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01866	0.5
56.05040	0.4
57.03426	0.5
59.27640	0.3
61.99289	0.3
65.03947	2.5
67.05502	1.5
67.24025	0.3
68.03658	0.3
69.03426	1.2
69.18537	1.7
71.04989	0.5
74.00674	0.5
76.02217	1.3
79.05481	0.6
81.03413	3.5
84.04500	0.9
85.02905	2.1
85.06530	1.1
88.02216	0.7
91.05486	1.1
93.03415	2.3
95.04974	0.6
97.02864	1.7
99.04443	0.5
105.04488	0.3
105.07021	0.5
108.02089	1.2
109.02870	1.8
110.03645	0.4
111.04444	3.6
113.03501	0.4
116.01723	0.3
119.08556	0.7
121.06456	0.4
123.04437	0.3
125.05975	3.9
127.03898	0.9
129.06848	0.3
130.04967	0.6
131.08578	0.8
138.09074	0.3
141.05463	1.3
143.08572	0.5
145.02792	0.3
145.04927	0.3
145.06456	0.9
145.10049	0.4
147.08060	0.6
149.06026	0.4
149.09570	0.5
151.03897	100.0
151.04967	6.6
152.04308	1.3
152.05350	0.3
155.44653	0.3
159.08014	0.5
159.11655	0.8
161.05965	1.2
162.02142	0.5
163.03917	1.1
163.07587	0.6
167.10596	0.4
169.04947	10.2
171.08086	0.5
172.08821	0.4
175.07545	5.3
177.03624	1.2
177.05254	0.3
179.04904	0.4
183.11693	0.3
184.08652	0.3
187.11183	1.2
189.12759	0.8
191.10703	0.9
193.08615	1.2
198.10342	0.6
201.12720	0.7
203.14351	0.5
205.12231	9.2
207.04716	0.4
209.11702	0.7
213.12735	4.5
215.14320	0.6
217.12267	1.1
227.12778	1.0
229.12273	1.7
231.13791	5.2
233.10043	0.3
235.07864	0.3
245.09956	0.9
249.14874	0.8
259.11493	0.7
263.10992	4.6
289.12784	0.3
295.08090	3.6
295.11011	0.3
306.15076	0.5
307.13373	0.3
313.09128	9.9
379.17126	0.3
391.16849	2.1
409.17981	2.0
427.18933	0.8
463.18842	0.9
481.20291	1.6
492.17612	0.4
538.22937	0.4
556.23059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62304	0.8
53.03922	1.1
58.88692	0.8
59.54826	0.7
59.63628	0.8
65.03941	2.8
67.05486	1.3
69.03431	1.8
70.06604	1.1
71.04996	1.6
81.03405	5.9
85.02897	3.0
85.03398	0.9
85.06538	1.3
91.05497	2.6
93.03405	3.2
93.07051	1.9
95.08614	3.5
97.02892	2.2
97.06541	3.0
102.36065	0.8
105.06985	5.6
107.08580	1.1
109.02894	2.6
109.10112	1.2
111.04428	4.5
117.03358	1.0
119.08568	2.2
121.10110	1.4
125.05997	3.6
127.03942	0.9
131.08572	3.8
133.10121	76.9
134.10495	1.9
135.04399	1.0
141.05408	2.1
145.04910	1.1
145.10141	2.2
151.03900	100.0
151.04964	6.4
152.04213	1.8
158.10930	2.1
163.03857	5.7
164.04272	1.2
169.04953	15.2
173.13251	19.8
177.05479	1.0
191.14281	13.2
295.08133	6.6
313.09192	11.2
556.14771	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	556.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11804	9.2
55.05511	10.5
57.07068	9.5
65.03948	8.2
69.03387	9.0
69.03802	7.8
71.64050	7.3
79.05491	18.7
81.06995	9.4
83.04980	19.3
91.05466	65.9
93.07027	32.8
95.04962	100.0
103.05465	17.8
105.07026	57.1
107.08605	13.6
116.98624	9.1
117.07013	30.6
119.08593	21.9
120.19598	8.7
121.06483	26.7
128.06221	37.0
129.06989	59.1
131.04944	23.6
131.08574	48.1
133.06522	21.9
133.10129	23.3
135.08017	18.0
142.07751	10.0
143.08565	47.9
145.06488	33.4
145.10133	23.8
147.08041	35.9
149.05956	12.2
157.10190	19.1
159.08038	12.8
159.11693	23.3
161.09601	58.0
169.10046	9.4
171.08096	15.5
183.11713	13.7
187.11143	19.4
189.09111	64.4
201.12762	29.8
205.12276	12.0
207.10132	20.6
217.12294	15.7
229.12253	33.4
247.13278	27.1
352.76666	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	556.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02185	4.7
67.05500	15.1
69.03432	4.3
70.24207	6.7
70.24564	11.1
71.04966	6.8
77.72642	4.8
79.05499	15.5
81.03424	6.6
81.07051	11.2
83.04985	9.4
85.02891	6.5
91.05472	44.9
93.07049	23.2
95.04962	100.0
95.08599	8.5
97.06499	11.2
103.05454	13.7
104.10726	13.2
105.07040	61.9
105.58769	5.1
107.04900	5.7
107.08589	15.5
108.08082	6.6
109.06467	10.7
115.05434	5.1
116.06173	4.8
117.07001	31.3
119.04922	9.3
119.08536	24.0
121.06493	17.1
128.06248	31.8
129.06982	49.1
131.04927	21.5
131.08578	36.7
133.06493	20.3
133.10107	30.6
135.08067	16.0
141.07001	6.7
143.08551	48.9
145.06476	22.0
145.10114	19.2
147.08055	30.9
149.05959	18.7
151.07448	5.6
154.07726	5.3
155.08614	6.7
157.10104	13.2
159.11691	14.4
161.09604	76.0
163.07449	8.4
165.09201	5.4
169.10178	7.5
171.08031	21.0
173.13217	8.8
175.11197	11.3
177.09189	5.6
179.10585	5.3
183.11650	8.0
187.11198	15.2
189.09096	56.0
201.12721	13.7
203.10696	5.8
207.10185	18.0
217.12271	7.9
225.40114	4.6
229.12219	19.9
247.13318	21.9
259.95709	5.6
497.22418	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	556.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.5
54.01982	2.0
55.05501	3.7
67.05499	8.1
69.89584	3.7
69.89932	4.2
71.04996	3.5
74.16035	1.7
74.25368	2.1
79.05474	12.9
81.07048	12.2
82.17794	1.7
83.04971	6.3
85.06554	3.3
91.05467	40.7
93.07051	12.0
95.04964	19.8
95.08609	7.4
97.06546	4.1
98.23385	3.2
103.05477	2.8
105.07027	52.5
107.04928	3.6
107.08612	7.6
109.06518	7.1
115.05436	10.1
116.06243	2.4
117.06187	2.8
117.07012	57.0
117.07818	4.1
117.33247	1.9
119.04922	1.9
119.08544	19.1
121.06494	6.5
121.10179	2.9
128.06210	17.9
129.07001	33.7
130.07805	13.5
131.08554	45.7
133.06500	6.9
133.10117	20.4
135.08038	4.4
141.07004	4.1
142.07716	9.9
143.08556	41.6
145.06497	4.7
145.10106	67.0
145.11230	4.1
146.10522	2.9
147.08072	8.5
147.11682	6.6
148.11061	1.9
149.09613	4.7
153.06918	3.0
154.07762	2.8
155.08530	12.8
156.09288	4.5
157.06578	2.0
157.10121	25.4
158.07257	2.6
159.08109	2.8
159.11714	11.1
161.09593	15.7
161.13184	3.2
163.11131	4.5
165.06992	3.1
169.10153	5.8
170.11066	3.4
171.08112	2.7
171.11670	14.7
173.09607	100.0
174.09985	2.7
175.11182	8.7
175.14836	3.7
177.09103	3.2
180.09294	3.8
183.11656	2.8
185.13231	26.8
187.11176	5.7
189.12746	7.0
191.10651	21.3
195.11659	6.4
201.12714	2.0
203.14243	17.8
213.12741	18.7
231.13765	34.9
232.13994	2.2
233.11737	8.8
249.14905	4.8
258.18518	2.4
291.16046	2.5
309.17160	2.1
336.21771	8.0
354.22574	2.9
387.77560	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79438	0.7
55.05506	6.6
55.67834	0.7
57.07070	6.7
67.05496	4.2
69.07059	4.1
69.77954	2.5
70.46722	0.8
71.08620	3.2
71.83304	0.8
79.05486	4.1
81.07051	8.6
83.04980	16.2
83.08620	0.8
85.06540	1.3
85.10164	2.6
87.65355	0.8
89.06021	9.2
91.05456	7.3
93.07044	12.1
95.04963	1.2
95.08598	11.6
95.09156	1.4
99.08109	1.6
105.07021	18.0
107.08582	14.4
109.10139	4.7
115.05434	0.8
117.07010	8.2
119.08567	16.1
121.10129	7.3
129.06985	2.3
130.07768	3.4
131.08556	20.0
133.08594	5.8
133.10110	9.0
143.07034	1.4
143.08591	2.3
144.09393	4.5
145.10112	45.8
146.10783	1.8
147.11688	2.0
155.01064	1.0
157.10118	3.5
158.10835	1.2
159.11681	56.1
160.12152	1.0
161.13245	12.0
171.11703	1.1
172.12378	1.4
173.13229	7.8
177.11209	2.8
183.10155	1.6
186.13936	1.3
200.10851	0.9
201.16360	100.0
202.16673	2.3
219.17389	5.0
247.19371	0.9
261.18481	6.2
279.10135	1.4
283.26385	0.9
300.28973	1.0
327.76126	1.0
539.42120	0.9
556.52618	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	556.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33186	1.3
55.05508	8.6
57.07077	6.4
60.69615	1.0
67.05483	6.2
68.85183	1.4
69.07048	6.3
70.06562	1.4
71.08619	3.6
74.65571	1.2
79.05471	6.1
79.37399	1.2
81.07046	10.1
83.04968	24.2
83.08631	2.5
85.06531	3.1
85.10178	1.8
89.06007	4.4
91.05461	12.3
93.07033	10.3
95.08582	10.6
98.98450	3.1
105.07019	26.1
107.08574	10.2
109.10165	5.7
115.05451	2.8
117.07001	19.4
119.08572	14.0
121.10094	8.6
128.06169	1.8
128.18358	1.3
129.06972	2.7
130.07762	6.4
131.08542	17.5
133.08582	2.6
133.10130	6.8
135.11638	2.3
143.06979	2.4
143.08513	3.8
144.09373	2.8
145.10106	81.7
146.10475	2.1
147.11641	1.5
155.01007	3.7
157.10161	1.3
158.10895	2.7
159.11668	31.6
159.12955	2.2
161.13223	12.7
163.11118	1.7
173.13240	6.5
183.10147	1.8
186.14061	1.6
201.16353	100.0
202.16702	1.7
219.17406	7.4
283.26392	2.9
314.27707	3.3
343.09167	1.5
556.52386	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	556.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
52.60907	0.6
53.03947	0.7
55.05508	10.0
57.07070	1.1
58.16948	0.6
65.03931	0.5
67.05499	4.4
69.07069	5.8
70.71003	0.6
77.03909	0.6
79.05489	5.0
81.07049	8.7
83.04973	25.5
83.08613	1.7
85.06544	3.3
91.05473	12.8
92.29350	0.5
93.07036	10.2
95.04965	1.9
95.08595	7.7
99.08092	0.7
101.06020	0.8
103.05453	0.9
105.04525	0.6
105.07018	25.8
107.08578	12.8
109.06482	0.8
109.10137	4.6
115.05409	1.5
117.07011	19.9
117.22742	0.5
119.08567	15.7
120.07911	0.5
121.10130	6.3
129.06978	2.3
130.07774	6.0
131.08557	17.9
133.10109	8.5
133.11049	0.9
135.11662	2.3
143.07031	2.5
143.08513	3.3
144.09291	3.3
145.10107	82.3
146.10576	2.1
147.11659	1.7
149.13329	0.6
157.10072	1.5
158.10890	2.1
159.11679	29.9
160.12128	0.7
161.13234	11.6
163.11134	2.0
171.11557	0.6
173.13239	5.7
175.14925	0.7
177.12698	1.0
180.04791	0.6
183.10126	3.3
201.16356	100.0
202.16711	2.6
219.17429	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	556.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
54.74421	0.5
55.05504	6.4
57.07071	2.5
59.82547	0.4
67.05506	4.6
69.07059	5.4
69.88338	1.1
71.08627	0.5
79.05484	4.9
81.07051	6.7
81.84218	0.5
83.04976	14.7
83.08614	1.2
87.04410	0.7
89.06013	6.0
91.05471	9.5
93.07035	8.2
95.04957	1.4
95.08601	6.5
101.06014	0.7
103.05469	0.6
105.07019	16.6
107.08587	9.3
109.06496	1.2
109.10146	3.9
111.08113	0.6
115.05441	1.7
116.06242	0.8
117.07005	13.5
119.08563	8.7
121.10113	4.7
123.11681	1.3
128.06187	0.6
129.07030	2.4
130.07791	4.8
131.08551	14.0
133.08618	3.5
133.10121	5.5
135.11668	2.1
141.06825	0.5
143.07050	1.3
143.08572	3.5
144.09317	1.2
145.10106	50.2
146.10516	0.5
147.11670	2.0
149.09615	1.4
149.13293	0.5
157.10114	1.8
158.10895	0.8
159.11678	16.9
161.13202	1.4
163.11180	3.2
163.14812	0.9
172.12393	0.5
173.13216	3.7
175.14784	1.2
177.11224	1.6
183.10172	0.9
186.14099	0.5
201.16359	100.0
202.16663	2.7
217.92751	0.4
219.17429	8.5
261.18500	1.1
283.26401	0.5
300.29007	0.6
318.39221	0.5
327.20441	0.6
371.22580	1.3
426.99036	0.6
556.52954	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
54.81596	0.7
55.05506	8.6
57.07063	1.5
67.05499	5.4
69.07061	3.6
70.70898	1.3
71.08630	0.8
77.65051	0.7
79.05478	5.7
81.07038	9.2
83.04971	18.8
83.08601	1.7
85.06520	2.6
91.04947	0.8
91.05470	9.6
93.07035	12.2
95.04923	0.7
95.08588	12.7
99.08082	0.7
101.06029	1.4
103.05441	1.2
103.85659	0.7
105.07016	23.4
105.07729	1.4
107.08579	16.4
109.06509	1.1
109.10141	4.7
113.17719	0.7
115.05423	1.5
116.06211	1.0
117.06992	11.7
119.08560	17.4
121.10123	7.4
122.30285	0.7
129.06970	2.7
130.07756	3.6
131.08549	24.9
133.10118	8.3
135.11597	1.3
143.07011	2.4
143.08542	3.1
143.96713	0.7
144.09314	5.5
145.10103	58.9
146.10748	1.2
147.11658	3.8
149.13167	0.8
157.10095	3.4
158.10851	1.7
159.11671	55.7
160.11969	1.2
161.13239	10.6
163.11133	1.2
171.11676	1.4
172.12440	1.2
173.13252	9.4
183.10156	1.9
186.13971	2.1
200.71457	0.7
201.16351	100.0
202.16647	2.1
219.17400	5.3
261.18454	8.6
423.97339	0.9
529.43140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.4
57.06818	2.8
57.07071	38.0
59.04995	1.7
59.81490	1.7
60.85533	1.6
64.91402	1.6
67.05495	8.6
67.88963	2.1
69.07061	11.2
69.47625	5.5
71.08627	25.4
73.06543	7.0
79.05476	6.4
81.07037	12.3
81.60952	1.7
83.04972	16.0
83.08598	4.4
85.10168	18.7
87.04452	5.3
89.06020	100.0
91.05466	12.5
93.07045	10.3
94.25735	1.7
95.08575	12.9
97.10131	4.3
99.11723	2.0
101.06009	7.5
105.07018	25.4
107.07082	1.9
107.08553	15.3
109.10142	7.7
111.11693	2.0
113.13250	1.8
117.07011	12.9
117.09142	4.3
117.61428	1.8
119.08556	17.0
121.10111	8.1
123.11706	2.2
129.98206	1.6
130.07756	3.4
131.07086	1.9
131.08559	15.0
133.07582	2.8
133.08594	50.3
133.10118	7.5
135.11707	3.5
136.04312	1.6
143.08557	4.0
144.09251	2.2
145.10103	47.8
147.11673	27.5
149.13129	1.6
159.11662	16.1
161.13231	5.8
163.11169	2.3
173.13286	3.4
177.11189	16.6
183.10117	2.0
201.16362	82.4
203.17928	29.7
219.17383	5.8
221.13744	3.5
239.14757	3.1
257.24707	5.0
283.17419	2.5
327.19739	2.3
371.22702	10.8
495.04358	1.9
539.40942	6.2
556.44312	2.4
556.52740	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	556.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04415	2.8
53.80964	2.2
55.05502	15.1
57.03432	4.0
57.07064	12.2
59.04979	3.8
67.05489	11.0
69.07066	5.4
70.06573	3.1
71.08601	3.0
71.19220	2.7
79.05476	6.1
81.07052	18.2
83.04979	18.7
83.08596	3.0
85.10188	4.0
86.76903	2.4
89.06020	28.7
91.05460	12.8
93.07025	17.3
95.08611	24.3
101.05998	22.8
105.07012	52.1
107.08582	20.6
109.10157	18.4
117.06983	4.7
119.07178	5.0
119.08573	41.6
121.10132	12.7
123.11696	7.8
131.08543	6.7
133.08595	19.2
133.10114	30.8
145.10091	19.7
147.11671	81.1
159.11746	5.9
159.29898	3.0
161.13251	18.2
161.38409	2.7
176.98106	2.7
177.11206	7.7
194.15558	2.8
201.11153	6.6
201.16310	21.3
203.17929	100.0
203.19872	5.5
204.18275	4.7
221.19087	2.6
283.26401	6.4
371.22699	8.3
556.36279	2.9
556.52692	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	556.965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20315	0.3
55.69807	0.3
56.96561	6.1
61.16251	0.3
67.59379	0.4
70.03005	0.4
70.79939	0.4
98.97572	69.1
110.14516	0.4
114.89322	0.5
116.98613	40.4
122.45190	0.3
128.98624	0.4
130.93335	0.5
134.99641	12.6
136.93935	0.5
153.00674	0.9
163.55984	0.4
172.94347	3.2
190.95361	3.8
208.96410	1.4
214.95328	3.1
232.96446	8.0
248.99486	0.4
250.97461	3.6
256.96368	15.1
256.98904	0.8
258.99799	1.0
274.97473	100.0
275.97879	1.7
277.00830	1.2
290.95569	0.8
292.98526	56.2
293.98929	0.9
297.99078	1.2
298.97610	0.4
314.95370	0.5
316.00101	0.4
332.96637	0.6
372.94244	0.4
398.97598	3.5
414.95334	28.9
415.95490	0.6
416.98593	8.4
417.98688	0.4
430.92789	0.6
432.96387	36.6
433.96259	0.8
434.99710	1.3
450.97488	6.3
455.97989	1.2
472.94467	1.2
514.95239	0.8
556.96497	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	556.9655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27488	0.2
54.98636	0.4
55.60307	0.2
56.25183	0.2
56.96292	0.3
56.96561	5.6
69.54355	1.1
69.62266	0.2
78.19025	0.2
98.97575	60.6
99.97931	0.4
116.98616	43.1
130.93256	0.4
134.99649	17.6
136.13606	0.3
140.00206	0.6
148.94290	0.2
153.00711	1.8
158.01248	0.4
162.89359	0.3
172.94304	2.5
174.97801	0.3
180.06082	0.2
190.95360	3.4
191.12856	0.3
197.95189	0.3
208.96426	1.5
214.95354	2.3
230.93391	0.4
232.96445	7.8
234.99782	0.5
241.94179	0.3
248.94487	0.5
250.97545	4.9
256.96371	14.4
258.97079	0.5
258.99716	2.3
272.94531	0.5
274.97485	100.0
275.97781	1.7
276.97604	0.8
277.00848	2.9
278.97208	0.4
279.00790	0.5
282.99963	0.8
284.99771	0.3
288.99081	0.5
290.95541	1.1
292.98544	56.8
293.98856	0.9
294.98749	0.4
297.99036	1.8
298.97723	0.9
299.98010	0.4
300.97812	0.4
301.01059	1.0
303.00900	0.8
305.00784	0.5
307.00217	0.3
308.96436	0.3
314.95660	0.4
316.00101	0.6
316.98798	2.2
317.99020	0.5
318.98764	0.4
321.01648	0.3
330.93405	0.4
332.96503	0.7
348.94635	0.4
356.96643	0.5
368.32632	0.3
372.94269	0.3
374.97565	0.4
388.92395	0.4
390.95654	0.7
398.97614	4.3
399.97867	0.3
401.00729	0.6
414.95364	25.4
415.95337	0.5
416.98679	7.7
417.99051	0.5
432.96417	37.9
433.96588	0.7
434.99686	1.7
450.97455	5.8
455.98141	1.3
456.96924	0.5
460.00302	0.5
472.94299	1.1
473.00824	0.4
489.98874	0.3
507.12231	0.3
514.96490	0.6
523.98657	0.3
540.98553	0.3
544.99133	0.7
553.99408	0.6
556.96545	10.9
557.96973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60389	4.7
57.85609	4.7
59.16488	4.0
72.54214	4.7
72.60281	4.0
82.42534	4.9
92.97608	4.5
129.07019	4.6
131.40840	4.3
137.05966	30.6
138.06294	11.6
157.06516	7.0
158.06810	5.3
166.62392	4.5
189.09109	13.1
205.08617	8.9
217.08553	13.3
218.08946	9.5
235.09601	15.1
236.10005	13.0
292.10327	6.9
324.12973	9.7
330.14020	5.1
342.13995	5.4
530.85370	4.6
557.16071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66476	1.9
65.03918	2.3
69.03475	1.7
69.15187	6.9
69.15611	5.5
82.44061	1.7
89.03926	2.2
91.05474	2.3
93.31866	2.0
96.40710	1.7
98.23433	4.5
98.26399	1.9
107.04939	2.7
111.04438	9.3
131.15198	1.7
135.04413	11.2
136.04784	4.1
137.02321	7.1
139.03897	22.4
140.04274	2.6
145.02844	3.4
163.03900	30.4
164.04237	18.6
165.05371	1.8
165.06892	3.4
167.08603	2.2
175.03899	2.0
181.04951	35.7
182.05313	8.7
187.03883	5.2
195.08046	4.0
197.05956	4.1
198.06395	2.0
221.05894	2.8
223.07486	11.5
224.07877	4.6
233.05902	2.6
234.06375	2.2
239.07025	5.7
240.07304	5.0
241.08823	2.0
249.05418	8.0
250.05724	3.2
251.07097	9.3
252.07407	5.6
267.06464	3.2
269.08054	3.6
279.06488	4.3
280.06747	4.3
286.07864	3.2
295.06000	6.0
297.07547	2.7
313.07257	2.1
341.06357	6.0
342.06848	5.2
395.10046	2.1
513.18671	9.1
557.16302	100.0
558.16724	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	557.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	4.7
59.04946	2.9
69.72099	5.3
69.72485	5.1
71.08602	3.6
87.04460	2.6
89.06014	22.5
95.37929	2.6
98.22722	3.2
131.04974	2.5
133.08624	12.2
164.57094	2.3
165.07062	3.3
177.11249	4.7
178.07742	3.3
181.10068	3.0
190.07840	3.0
193.10141	3.0
194.32858	2.6
202.07851	3.6
203.08672	2.3
207.07939	3.5
209.09552	5.8
217.10153	5.5
219.08061	3.8
229.10066	3.7
235.07426	5.3
237.09146	9.4
245.09618	5.5
247.11203	6.3
249.09061	4.3
253.08537	4.6
255.10153	3.8
257.09628	3.2
259.07437	2.5
261.08954	3.4
263.10599	5.0
265.08627	10.5
272.13501	2.4
273.09180	9.9
275.10580	4.3
277.08536	45.1
278.08969	2.8
279.10025	4.1
281.11826	4.6
283.26471	3.4
285.09131	5.8
288.77798	2.6
292.10913	10.2
295.11331	3.8
301.08450	4.5
303.10251	3.4
323.10760	8.6
371.22681	3.2
437.15628	4.1
437.29724	2.6
463.13229	2.8
465.15033	6.8
466.15701	4.3
473.17288	5.8
483.16013	8.9
501.20587	6.4
511.14725	13.4
529.21008	18.0
539.18475	7.3
556.52667	7.2
557.19507	100.0
558.19781	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	557.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44778	0.8
57.07062	2.3
68.59308	0.7
69.25253	4.6
71.08614	2.4
85.10188	1.9
87.04465	1.1
89.06021	13.1
90.06363	1.1
96.56263	0.7
98.22746	1.1
110.88824	0.7
114.57740	0.7
119.08578	1.7
126.75356	0.6
133.08595	8.7
165.06989	1.6
166.07672	0.9
167.08563	0.7
169.06424	3.8
177.11192	2.8
177.70222	0.7
178.07820	0.8
179.08727	0.8
190.07716	3.3
191.08556	0.9
195.08086	0.8
202.07835	1.7
203.08549	1.9
205.10023	3.7
208.08838	2.4
209.09595	2.9
211.07501	0.9
215.08511	2.4
217.10045	1.0
218.07230	1.6
221.09828	0.8
223.07564	3.8
233.09563	7.2
235.07491	1.2
236.08250	1.3
237.09087	1.5
245.09581	0.9
249.09201	1.6
251.07045	2.6
251.10622	2.5
257.09686	1.3
261.09106	8.0
264.07703	1.0
273.09134	1.5
275.10617	1.0
277.08554	8.4
279.10126	100.0
280.10501	2.5
285.08908	0.9
297.12607	0.8
313.12198	1.3
323.10583	2.3
371.22806	1.6
418.44382	0.8
437.15256	1.4
465.14996	1.9
483.15656	3.5
501.20209	1.0
511.14777	5.0
539.18292	3.9
556.53064	1.5
557.19598	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	557.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.4
56.02470	1.2
57.07080	6.1
60.21566	1.2
69.07067	1.1
71.08623	4.0
71.09818	1.3
80.19958	1.2
85.10155	2.6
89.06018	7.2
98.98450	3.7
133.08626	6.8
141.06949	1.4
155.00993	2.6
169.06447	9.7
169.07651	1.7
177.11201	3.0
179.08565	1.6
190.07727	12.9
203.08516	1.6
205.08185	0.9
205.10074	24.1
209.09598	5.2
215.08531	2.5
218.07246	4.7
233.09569	39.6
237.09044	3.7
251.07021	2.6
251.10545	3.1
254.56952	1.4
261.09061	40.1
261.11786	1.9
279.10120	100.0
280.10684	2.8
283.26352	2.0
287.29495	1.2
294.00723	1.2
300.29050	2.5
371.22562	1.5
553.10291	1.4
556.52820	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	557.1992
Annotation	Roritoxin D
Peak:m/z	Relative Intensity
71.42762	1.2
78.04710	1.2
97.02766	1.1
98.98451	6.1
116.30935	0.9
121.02876	3.3
123.04444	2.1
131.04913	1.1
163.03899	1.3
167.07034	21.9
175.07500	1.6
349.10233	1.7
364.12668	1.6
395.14691	3.8
413.15714	2.8
495.19986	11.7
539.18372	1.3
557.19861	100.0
558.20172	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	557.2355
Annotation	Terreulactone D
Peak:m/z	Relative Intensity
62.19983	0.2
67.07595	0.2
70.53846	0.2
70.76926	0.4
73.48652	0.2
81.03406	0.3
81.07074	0.3
88.06737	0.2
91.05473	0.3
98.68837	0.2
98.98456	4.1
110.66561	0.2
121.70107	0.3
128.02542	0.2
131.04916	0.2
145.02879	0.3
163.03940	0.6
167.07053	1.0
174.99260	0.6
234.43037	0.3
249.14549	0.4
251.00107	1.0
309.04260	0.3
309.20645	0.3
332.09543	0.2
349.08868	1.4
495.19299	0.6
557.23596	100.0
558.23920	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	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50110	1.0
53.03926	2.3
55.01869	4.0
55.05504	23.4
57.03426	7.8
57.07072	2.2
64.54678	1.0
65.03928	2.4
66.82505	0.9
67.05498	47.6
69.03419	1.9
69.07060	17.6
69.18389	5.4
71.04980	3.1
71.08645	1.3
77.03934	1.4
79.05485	42.8
81.03432	4.5
81.07049	47.5
83.04984	4.7
83.08603	9.6
85.06554	2.6
91.05470	47.4
93.07033	42.3
95.04948	10.2
95.08598	28.5
97.06525	4.3
97.10174	4.5
99.02020	1.1
99.08107	1.9
105.04533	2.6
105.07018	41.7
107.04942	5.3
107.08582	21.8
109.06512	4.6
109.10143	13.7
111.08070	2.3
115.05482	3.0
117.07006	17.7
119.08569	32.0
121.06507	3.4
121.10135	14.2
123.08082	4.9
123.11698	2.1
125.09634	3.0
128.06184	5.9
129.06987	20.9
130.07770	2.2
131.08553	34.4
133.06549	1.9
133.10110	20.7
135.08083	3.4
135.11682	10.4
137.09615	2.3
137.13231	1.4
139.11179	1.2
139.66808	1.0
141.06995	7.6
142.07793	4.8
143.08543	24.9
145.06474	3.3
145.10110	29.3
147.08075	2.2
147.11665	21.4
147.12723	1.8
149.09593	1.7
149.13261	5.7
153.06998	2.6
155.08524	19.7
156.09302	3.1
157.10100	22.4
159.08101	1.4
159.11673	18.6
161.09581	2.4
161.13228	13.3
163.11191	3.0
163.14804	1.9
165.06949	2.7
166.07857	1.3
167.08557	9.9
168.09303	3.1
169.10117	23.2
170.10965	1.5
171.11671	28.2
171.13043	2.1
173.09663	2.1
173.13239	11.1
174.35309	1.2
175.11182	1.3
175.14806	7.4
177.12633	1.5
179.08571	3.2
180.83670	1.1
181.10109	14.8
182.10957	2.5
183.11667	19.1
185.13237	16.6
187.11258	4.0
187.14818	5.8
189.12729	4.4
193.10167	3.8
195.11690	13.3
197.13213	11.7
199.14799	10.2
201.12715	1.3
201.16420	1.5
205.10020	1.3
205.12195	1.1
206.06345	1.1
207.11713	4.7
207.13805	4.8
209.13249	8.7
211.14792	9.5
213.12712	1.4
213.16365	10.6
215.18019	1.7
219.11745	1.9
219.17496	1.8
221.13286	4.7
223.14867	4.7
225.16418	4.6
227.14267	1.4
227.17917	1.5
229.15984	1.8
231.17397	1.8
231.21135	2.3
233.13350	1.8
235.14851	4.1
237.16417	3.7
238.78085	1.3
239.17914	2.7
241.19482	5.3
247.16975	3.0
249.16415	1.5
251.17941	2.2
257.19022	2.8
259.20514	15.7
261.18756	1.4
261.22198	1.7
279.16031	4.5
281.17334	12.5
285.22250	1.4
287.19998	2.2
293.18875	1.8
295.20554	2.0
297.22198	2.8
299.20114	2.3
299.23434	2.1
307.20612	2.1
311.20126	1.9
313.21677	3.1
313.25366	1.8
321.22025	2.3
322.22629	1.1
323.23730	3.3
325.21808	1.6
327.23227	1.8
333.24277	4.9
335.23639	2.5
337.25235	2.3
339.23065	2.6
341.24673	2.9
349.25403	2.8
353.24625	3.9
355.26495	1.9
361.25363	1.2
367.26120	2.1
381.27908	1.5
419.33011	4.7
429.31433	5.6
437.34280	11.2
447.32538	25.4
448.32935	1.9
459.33356	1.3
465.33588	28.1
469.60089	1.2
483.34741	21.6
485.33936	1.5
501.35745	2.4
503.35364	2.5
511.37683	2.4
521.36346	8.3
527.37408	3.4
529.38776	7.2
539.37268	100.0
540.37537	6.1
550.96521	1.4
557.38318	52.6
558.39130	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	15.1
63.62197	3.7
65.03939	11.6
69.21993	11.7
69.22398	10.2
79.05474	6.3
81.03421	4.2
89.03923	3.7
91.05476	8.5
93.03398	10.6
98.23441	6.4
103.05499	6.7
107.04939	35.8
111.04432	69.1
115.05425	13.2
120.76092	4.5
123.04418	11.2
124.47237	4.1
131.04907	8.2
133.30600	4.2
134.56836	3.6
135.04405	59.2
137.02313	5.2
139.02225	5.1
139.03889	100.0
140.04250	10.4
143.04922	16.5
145.02826	5.4
147.04384	5.9
149.05963	7.5
158.63463	4.0
159.04378	12.5
163.03903	72.7
164.04205	7.1
165.07027	7.2
167.08607	10.6
169.06438	4.8
175.03935	24.1
175.49600	4.1
176.04271	5.5
177.05441	11.8
177.07007	9.7
178.07768	10.6
179.08562	24.5
181.04953	93.5
181.06396	5.4
182.05241	9.0
187.03934	7.8
189.06935	4.2
194.47330	3.6
195.08034	24.4
197.06021	21.0
199.07503	11.1
205.06468	19.9
207.08023	50.9
211.07510	8.7
213.09140	13.0
217.06357	4.0
223.07536	36.9
225.05272	3.7
225.09099	26.8
233.06003	19.3
235.07495	9.3
239.07140	6.5
241.08565	37.8
248.16185	3.9
251.07025	29.6
253.08664	18.4
267.06396	8.5
269.08057	58.5
270.08688	4.4
279.06546	20.2
286.07874	5.1
287.09012	14.9
297.07507	29.9
307.06055	12.4
315.08502	24.6
321.59610	3.9
325.07050	12.9
343.08041	15.7
446.06256	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	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.7
65.03942	2.8
69.03435	2.6
70.70238	4.5
77.88188	2.5
79.05472	6.8
83.53329	2.2
85.02898	4.8
91.05461	16.4
92.88642	2.5
95.04938	3.2
103.05441	13.3
105.07025	8.3
107.04944	25.1
111.04472	3.8
115.05411	3.5
119.04949	15.5
121.06441	3.8
122.03568	3.9
127.03843	2.4
129.06969	6.4
131.04930	21.4
131.08560	2.7
133.02826	3.0
133.06497	8.7
135.04417	6.9
135.08047	6.3
137.05963	81.4
139.03880	12.0
140.04279	2.5
145.06506	2.6
147.04399	13.2
149.05971	11.0
150.06779	2.5
151.07530	45.0
157.06464	6.6
161.05972	92.0
161.09595	25.9
162.06734	9.5
163.03862	12.8
163.07518	48.6
165.05603	2.6
167.08539	2.7
174.06828	4.0
175.07504	12.1
179.07019	7.1
181.04922	10.0
181.08493	15.1
189.09085	59.7
191.06960	2.8
193.06618	2.3
195.08044	8.9
197.06133	2.7
207.10141	100.0
209.05957	2.8
219.10120	6.2
221.06039	2.7
221.09564	4.6
223.07541	9.3
224.07991	3.2
225.09116	4.1
227.10722	11.1
233.06006	2.9
235.07433	3.2
239.07021	2.6
241.08542	4.0
251.07079	3.3
253.08485	7.6
253.12317	3.1
255.10156	11.0
265.08563	3.3
267.10248	2.6
269.07999	6.1
279.06512	3.3
281.11758	3.1
285.11221	7.5
287.12726	28.5
297.07501	4.6
297.11288	5.0
299.12616	5.6
311.12808	13.3
313.14267	31.3
315.08508	3.0
325.14297	3.6
331.15359	69.0
343.15369	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	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	6.3
65.03922	6.2
69.03414	13.7
70.06579	9.9
75.74740	5.1
79.05486	6.9
83.05002	6.0
85.02888	15.7
91.05453	17.4
93.03381	6.8
97.02861	8.1
103.05441	23.9
105.07029	15.4
107.04961	37.6
111.04452	16.4
114.53523	5.2
119.04916	12.4
121.06486	10.5
123.04430	10.5
127.03901	9.7
129.06964	8.8
131.04921	27.3
133.02853	13.1
133.06471	13.6
135.04393	20.3
135.08012	7.1
137.02379	7.4
137.05972	100.0
139.03868	29.1
144.63596	4.9
145.02855	8.6
145.04926	9.6
147.04381	18.3
149.05971	19.6
151.07541	36.8
157.06525	6.3
161.05954	71.5
161.09590	11.5
162.06708	6.0
163.03900	50.9
163.07515	81.4
165.05496	7.5
165.06854	5.5
167.08521	5.7
175.07550	15.1
177.05505	11.3
177.09105	15.7
179.07022	22.7
181.04922	37.3
181.08562	10.8
187.03729	6.5
189.09029	39.2
191.07011	7.3
195.08109	11.1
205.04903	5.5
207.08038	17.9
207.10155	83.6
219.10179	7.9
223.07524	16.3
225.09227	6.3
234.06062	5.3
235.07452	11.4
241.08554	6.2
251.07024	13.3
253.08543	9.0
279.06516	10.0
281.07758	7.4
283.37909	6.0
287.12592	7.0
291.12173	7.6
295.05948	6.7
295.92114	4.9
297.07452	10.2
311.12637	15.1
313.14175	13.7
325.07040	10.1
331.15393	44.7
559.18726	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	558.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
54.64235	2.0
55.01872	6.6
57.03440	8.7
57.07073	2.1
61.02928	7.0
67.28465	1.7
68.99771	3.5
69.03424	40.0
69.07072	2.0
69.19962	6.5
69.20370	2.6
71.04979	5.5
71.08633	2.9
73.02907	6.3
79.05471	2.3
81.03412	28.5
81.07034	2.0
85.02898	97.3
87.00819	46.7
91.03926	2.2
91.05448	1.8
93.07038	2.2
95.08609	1.7
97.02882	32.4
99.04448	18.7
105.01859	83.9
105.07064	3.1
107.08596	1.7
109.02177	2.9
109.02870	34.4
112.69322	1.6
119.08572	2.2
127.03905	100.0
131.08656	2.8
133.10155	1.7
145.04944	31.1
145.10110	2.3
147.02878	2.8
147.04410	2.6
147.11711	1.4
159.02896	14.2
189.03960	3.4
197.13329	1.8
213.03987	4.5
231.04959	38.1
249.06035	9.1
249.31879	1.6
267.69415	1.4
314.63086	1.9
430.22467	1.7
440.99112	1.8
509.73669	1.6
515.28082	3.8
558.28265	9.3
559.27203	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01866	5.2
55.05509	14.2
57.03424	5.0
57.07071	3.6
61.02926	3.2
65.03938	1.5
67.05490	12.7
68.99780	3.4
69.03424	24.0
69.07064	9.0
71.04980	4.6
73.02892	3.5
75.09564	1.5
76.37106	1.5
79.05489	8.9
81.03409	17.3
81.07044	7.2
83.04974	17.5
83.08617	3.5
85.02404	3.0
85.02901	48.4
85.06534	53.8
87.00825	20.3
91.05477	15.1
93.07038	14.7
95.04972	18.7
95.08597	15.1
97.02878	18.3
97.06525	4.3
97.10162	3.5
98.47755	1.5
99.04455	7.2
99.08082	30.2
101.06009	6.2
105.01858	13.3
105.07019	15.7
107.04910	2.0
107.08588	21.9
109.02872	12.8
109.06516	8.2
109.10157	7.7
111.04444	2.8
111.08108	2.1
113.09647	17.3
115.05413	2.1
117.01873	2.6
117.07021	7.7
119.04954	2.1
119.08577	17.6
121.06499	10.0
121.10121	11.7
122.39475	1.7
123.08021	7.6
123.11706	2.5
125.09618	4.7
125.42027	1.5
127.03900	24.4
129.07005	5.7
130.07748	1.7
131.08554	12.2
133.06534	2.1
133.10133	15.8
135.08051	14.4
135.11668	21.4
137.09596	6.1
139.11208	1.9
141.06947	3.0
141.09085	3.7
142.07788	2.4
143.08543	6.8
144.09332	2.2
145.04984	8.3
145.10110	13.0
147.08046	2.5
147.11606	7.4
149.09650	12.1
149.13242	4.4
151.07603	2.2
155.08513	3.5
155.10655	2.7
156.09344	3.0
157.10110	7.9
158.10841	2.0
159.02921	5.7
159.08029	5.5
159.11653	12.6
161.05960	3.0
161.09599	8.0
161.13284	1.9
163.11166	7.8
171.11662	4.5
173.09569	13.0
173.13252	12.6
175.11188	8.5
175.14774	10.7
177.09119	5.1
177.12752	9.5
179.10690	7.2
183.11626	1.9
185.13229	4.4
187.11113	3.7
187.14818	2.5
189.12741	3.6
191.10645	3.4
191.14264	18.0
193.15898	3.8
197.13327	2.4
199.11185	3.0
199.14836	2.2
201.12770	6.9
203.10828	1.6
203.14331	6.1
205.12228	21.0
207.13933	3.0
209.15352	3.0
211.57428	1.6
213.12708	3.7
215.14355	6.7
215.17857	4.3
217.15834	11.8
219.13766	6.5
221.11630	1.8
231.04953	3.7
231.13802	5.4
231.17383	1.7
233.15367	2.1
233.18996	3.3
235.16924	37.4
249.14575	1.7
257.18945	15.3
275.20044	100.0
276.20447	3.6
282.15610	1.7
293.17944	2.8
293.21094	42.1
294.21542	2.9
324.46909	1.5
343.14130	2.0
461.25195	2.1
505.24149	2.4
523.25323	4.1
541.26361	3.0
579.12640	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3061
Annotation	Hemsine A
Peak:m/z	Relative Intensity
51.43827	0.8
56.05032	1.1
58.06594	6.0
59.55878	0.8
65.03940	0.9
67.05512	1.0
70.06589	3.3
71.05018	0.9
71.06911	0.9
71.42581	0.9
72.08149	3.2
77.92794	0.8
79.05478	1.3
81.03353	1.0
85.02906	1.8
91.05482	2.6
92.75157	0.9
93.07028	0.9
95.04978	1.7
97.02881	0.9
98.09692	1.8
102.09169	2.1
105.01878	2.2
105.03381	5.9
105.07039	2.0
107.04932	1.8
108.08103	5.1
109.02911	1.0
111.04418	1.8
117.07003	1.9
119.06081	0.9
119.08540	1.2
122.09677	0.9
124.11240	1.3
127.03904	1.0
129.07062	1.4
131.08540	1.2
135.04305	1.1
139.03876	1.1
143.08537	1.3
143.15244	1.0
147.07973	0.8
155.08508	1.8
156.45003	0.9
159.10495	0.8
163.03906	2.2
167.08568	1.5
171.07968	1.0
178.07782	1.2
179.08595	1.4
184.11244	1.2
188.10710	0.9
205.10126	1.4
207.11577	1.6
217.10338	1.0
219.11751	1.2
231.11772	1.2
233.13356	0.9
234.10364	1.2
237.12900	1.1
245.00897	1.0
249.12636	1.5
279.13580	1.5
310.18176	1.1
336.19650	1.2
345.14417	0.9
354.20563	2.3
358.20105	1.8
386.23206	11.2
387.23697	1.6
390.22623	1.2
400.24881	1.4
418.25812	34.9
419.13184	1.3
419.26154	1.4
436.26913	19.0
437.27234	1.1
515.28680	1.6
540.29742	1.7
558.30566	100.0
559.29529	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	558.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84252	0.9
52.18733	1.2
55.05503	5.5
57.03430	1.9
57.07077	1.5
59.05004	1.5
67.05492	4.4
69.07049	6.4
71.27511	1.0
71.32112	1.1
73.06544	1.9
79.05477	5.0
80.92391	1.2
81.07062	7.5
83.04951	4.5
83.08542	1.1
85.06528	2.5
87.62352	1.2
91.05468	9.1
93.07043	10.0
95.04926	1.3
95.08603	8.4
98.22675	2.2
101.06001	15.2
101.08011	1.1
103.05497	1.3
105.07030	22.6
107.08581	9.4
109.10148	4.4
115.05482	2.0
116.76930	1.1
117.07002	17.8
119.07082	5.8
119.08556	11.4
121.10141	5.0
124.01073	1.2
127.27525	1.1
128.06178	1.6
129.07072	2.0
130.07748	5.4
131.08540	19.5
133.10129	6.7
135.36226	1.0
143.08569	3.0
144.09361	2.1
145.02824	1.4
145.10104	73.1
146.10458	1.6
149.05969	2.2
158.10834	1.7
159.11690	24.8
160.12029	1.1
161.13271	7.0
162.63745	1.2
163.03891	5.7
166.10933	1.2
173.13268	6.1
183.10217	1.3
201.11252	2.3
201.16362	100.0
202.16711	3.7
219.17421	5.1
302.43600	1.2
305.17462	1.5
426.28220	1.3
520.85272	1.3
558.30017	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.7
63.75599	1.5
65.03940	3.6
65.38451	1.6
67.05511	12.7
69.03419	6.7
69.07045	7.4
70.55726	3.2
71.04980	5.9
79.05479	15.7
81.03410	5.1
81.07050	20.5
82.22109	1.7
83.04967	7.8
85.02892	11.7
85.06528	5.0
87.00845	2.3
91.05470	51.3
93.07045	19.5
94.07387	2.1
95.04955	23.5
95.08603	12.3
97.02892	3.1
97.06515	5.1
99.04473	3.8
101.05999	10.0
103.05439	3.0
105.01804	4.2
105.07020	68.4
106.07368	1.9
107.04953	4.3
107.08572	12.3
109.02870	3.6
109.06501	7.0
109.10140	4.0
110.09715	2.0
111.04437	2.0
111.08097	1.8
115.05437	11.3
116.06206	5.6
117.07012	62.3
119.04909	4.8
119.07032	1.8
119.08561	27.3
121.06502	7.0
121.10118	4.6
123.08052	2.5
127.03924	6.0
128.06215	19.0
128.93733	1.7
129.06987	37.5
130.07808	14.4
131.08556	48.3
133.06470	8.9
133.10112	24.7
135.08023	5.8
139.53825	2.0
141.06969	3.8
142.07750	16.8
143.08549	55.3
144.09308	4.0
145.04959	2.9
145.06485	8.4
145.10106	85.8
146.10403	2.1
147.04391	2.1
147.08015	10.0
147.11653	7.1
149.09561	5.4
151.07542	2.9
153.06972	4.0
154.07800	3.0
155.08539	24.4
156.09328	7.5
157.10112	29.9
158.07263	3.2
159.08099	3.3
159.11685	13.8
161.09619	19.6
161.13269	5.3
163.11168	4.6
165.06973	5.4
167.08493	2.2
169.10075	6.8
170.10876	3.8
171.08035	4.1
171.11667	18.3
173.09599	100.0
174.09966	3.0
175.11160	13.2
175.14774	5.5
180.09308	2.9
183.11665	2.5
185.09647	2.9
185.13232	36.8
187.11182	6.1
189.12721	7.8
191.10643	23.4
195.11662	13.6
198.10356	3.1
201.12753	3.9
203.14291	23.0
213.12732	42.5
231.13762	69.5
232.13948	2.7
233.11685	3.8
244.16991	1.8
249.14864	9.8
291.15787	3.1
309.17014	2.4
322.20081	5.8
340.21075	3.6
389.35822	2.0
429.22418	1.9
429.84320	1.8
480.18228	1.7
584.58337	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15508	2.8
51.83232	3.2
55.05505	8.4
56.66866	2.9
57.03433	5.2
60.50155	3.0
65.03921	3.5
67.05512	7.5
67.88159	3.6
69.03410	7.5
69.07069	3.0
69.12840	20.5
71.04993	7.2
79.05478	19.7
81.07056	17.6
83.04981	11.3
85.06536	6.5
91.03063	3.4
91.05471	38.2
93.07046	18.0
95.04971	21.5
95.08607	11.1
97.06548	8.2
99.04475	3.5
101.05995	15.3
105.07025	67.3
107.08553	14.6
109.06505	5.2
111.08050	5.1
112.35723	3.0
113.76973	3.0
115.05449	8.8
117.07014	51.3
119.04916	5.1
119.07067	5.1
119.08579	22.1
121.06490	4.3
123.07980	4.5
128.06226	18.2
129.06999	36.9
130.07791	11.5
131.04915	4.0
131.08566	47.1
133.06480	11.7
133.10120	19.0
135.08034	7.4
137.22159	3.1
141.07036	4.1
142.07787	20.4
143.08566	68.1
145.06509	4.8
145.10121	100.0
146.10385	2.9
147.08035	11.0
147.11681	5.5
149.09665	6.4
153.06926	3.7
155.06120	3.6
155.08559	31.6
156.09328	10.5
157.06595	3.7
157.10120	40.2
159.08018	5.5
159.11681	20.3
161.09605	26.5
161.13245	7.8
162.09959	3.6
165.06995	6.1
167.08577	5.9
169.10117	9.3
170.10878	5.2
171.08047	6.3
171.11694	18.2
173.09616	92.3
173.13164	4.7
175.11253	8.4
175.14919	5.2
180.09302	8.7
183.11742	8.1
185.09659	5.8
185.13239	45.9
187.11186	5.4
189.12880	8.2
191.10680	12.1
195.11635	20.9
201.12738	9.3
203.14342	26.4
213.12747	55.3
231.13803	97.1
232.14134	3.9
247.13339	5.6
249.14786	11.4
268.64786	3.1
273.31787	3.1
305.17447	5.1
431.31006	3.9
558.30011	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	559.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93519	0.6
69.16005	3.3
147.04416	0.7
159.04193	0.8
185.04198	1.4
185.05800	1.9
218.05539	3.9
293.21112	0.6
305.22009	0.6
311.21863	1.1
356.92450	0.7
379.11548	1.4
415.13818	2.6
455.26416	1.0
473.26907	0.9
497.17987	10.0
497.27170	2.8
499.15396	3.4
515.28253	5.8
541.17657	1.5
541.26251	6.7
559.17969	100.0
559.27100	19.3
560.18103	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	559.211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46667	1.4
67.05476	1.7
69.23862	2.3
69.24268	7.1
99.65842	1.3
103.00282	1.3
114.77161	1.5
124.36398	1.5
141.26759	1.5
157.09955	1.5
183.07927	2.2
191.08516	1.8
195.08011	1.9
198.49751	1.5
203.08578	2.1
204.07539	1.4
209.09628	5.3
221.09543	2.2
231.08012	3.6
235.07462	1.9
237.08994	2.9
249.09178	2.1
255.10156	3.7
265.12088	2.0
275.10489	1.6
277.08566	3.6
279.10193	3.2
292.10861	5.8
317.11664	3.7
347.14236	2.0
393.14755	2.1
403.17358	2.1
421.18314	2.7
453.16403	1.9
455.12619	2.4
457.18304	2.9
467.16766	3.0
468.17346	2.8
483.16080	2.0
485.17480	8.1
513.20239	12.0
531.18311	10.9
541.19971	6.2
559.20996	100.0
560.21442	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	559.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18324	2.1
54.80396	2.2
58.84620	2.3
62.57796	2.0
69.42356	3.7
69.42706	11.0
82.74894	2.1
82.94485	2.1
83.04977	2.5
114.65304	2.0
115.15079	2.3
169.06453	5.7
183.07802	2.3
202.16710	3.2
204.09322	3.3
205.10059	3.5
206.38049	2.6
209.09593	4.5
233.09546	7.4
235.07523	3.0
237.09138	3.3
249.09152	3.9
255.10153	2.9
261.09116	9.2
263.10641	3.5
265.12329	3.4
277.08618	5.8
279.10117	55.9
281.11707	3.4
292.10812	7.5
345.12408	2.6
468.17102	3.5
485.17389	6.2
513.20166	14.8
531.18292	10.9
541.19708	9.6
559.20972	100.0
560.21338	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	559.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78737	0.6
55.05496	0.7
67.05481	1.3
69.07016	0.6
69.35976	0.6
70.53222	1.3
77.41830	0.6
79.05500	1.0
81.07027	1.1
83.08616	0.6
91.05484	3.0
93.07012	0.6
95.04951	0.8
105.07008	1.4
107.08567	1.1
110.72307	0.7
117.06991	1.5
119.08575	1.0
123.04160	4.1
131.08548	1.3
133.10066	0.9
150.12027	0.7
157.10089	0.7
159.07947	1.0
161.05937	1.1
214.76453	0.6
223.09384	100.0
224.09705	1.8
264.12048	1.5
285.10846	1.5
316.59531	0.7
359.14606	72.8
360.14917	2.0
400.17657	1.2
432.03058	0.7
451.94928	0.7
473.23175	0.7
541.35651	0.7
559.24573	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	559.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78737	0.6
55.05496	0.7
67.05481	1.3
69.07016	0.6
69.35976	0.6
70.53222	1.3
77.41830	0.6
79.05500	1.0
81.07027	1.1
83.08616	0.6
91.05484	3.0
93.07012	0.6
95.04951	0.8
105.07008	1.4
107.08567	1.1
110.72307	0.7
117.06991	1.5
119.08575	1.0
123.04160	4.1
131.08548	1.3
133.10066	0.9
150.12027	0.7
157.10089	0.7
159.07947	1.0
161.05937	1.1
214.76453	0.6
223.09384	100.0
224.09705	1.8
264.12048	1.5
285.10846	1.5
316.59531	0.7
359.14606	72.8
360.14917	2.0
400.17657	1.2
432.03058	0.7
451.94928	0.7
473.23175	0.7
541.35651	0.7
559.24573	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	559.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14602	0.9
69.03413	1.1
69.18240	3.9
69.18641	2.3
71.02084	1.0
73.60547	1.0
81.07020	1.4
85.02905	2.5
87.00847	1.4
95.08663	1.2
98.23454	1.5
99.48180	1.1
105.01939	1.3
119.08635	1.2
127.03961	1.1
144.06676	1.1
147.04422	1.9
163.04010	1.7
167.30914	1.0
201.05522	1.8
224.57349	1.0
231.27110	1.0
289.05356	1.0
311.22086	3.6
332.18033	1.0
332.58487	1.2
473.27295	4.2
515.28296	34.2
515.35760	1.8
516.28937	2.3
541.26587	1.2
559.27441	100.0
560.27954	5.1
583.36786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65020	2.0
53.03950	4.4
55.01856	11.1
55.05506	52.3
57.03423	8.3
57.07064	2.5
59.04988	3.0
59.17630	2.1
61.37300	2.5
62.06091	4.3
65.03916	2.5
67.05498	46.1
69.03414	4.4
69.07062	19.4
71.01329	2.1
71.04983	4.8
79.05482	54.9
79.64960	2.2
81.03397	11.0
81.07050	56.7
83.04972	11.9
83.08617	20.6
85.06534	2.8
86.09711	2.9
91.05470	48.9
93.07040	46.9
95.04952	13.5
95.08591	26.5
97.06522	6.9
97.10167	27.1
99.08089	3.0
105.04530	2.6
105.07022	45.1
107.04945	6.1
107.08587	31.8
109.06507	6.8
109.10117	14.7
111.08079	4.0
115.05493	3.9
117.06999	29.7
119.08574	34.2
121.06510	6.5
121.10128	12.9
123.04441	2.6
123.08064	7.0
123.11706	2.8
125.05859	2.3
125.09624	22.2
128.06210	5.7
129.06981	21.1
131.08553	38.3
133.06465	3.1
133.10115	19.8
135.08047	8.8
135.11694	12.9
137.09590	3.1
141.06970	4.6
143.08543	21.1
145.10117	30.8
147.08023	3.6
147.11661	19.1
149.13252	5.5
153.12685	3.1
155.08551	9.6
157.10112	15.5
159.08060	2.6
159.11674	20.2
161.13271	11.8
162.95583	5.0
163.11113	13.1
167.08595	5.8
168.09325	2.6
169.10123	10.6
171.08028	2.6
171.11681	15.5
173.13205	14.0
175.11191	3.1
175.14818	6.0
181.10097	5.1
183.11731	8.4
185.13266	14.3
187.11143	4.2
187.14841	3.7
189.11182	14.3
189.12694	2.8
191.10614	3.3
193.12225	3.1
195.11662	5.3
197.09534	3.5
197.13300	8.0
199.14792	9.3
207.11665	2.5
209.11604	5.0
209.13341	4.0
209.90097	2.2
211.14854	4.3
227.12732	26.2
241.19518	8.9
245.13712	3.4
257.19019	7.9
259.20547	23.2
269.22702	2.5
273.18542	2.6
275.20096	5.5
279.21155	2.5
283.15295	15.6
285.22107	2.5
291.19568	6.1
297.22174	15.6
313.21671	2.6
315.23212	14.6
324.75583	2.5
333.24200	8.9
353.24814	2.6
421.30688	3.4
431.29453	4.8
439.32278	3.9
449.30420	14.4
467.31433	14.8
485.32333	13.8
500.22681	4.6
513.35712	5.3
515.33368	2.6
523.34113	11.2
541.35211	100.0
542.35803	3.6
559.29102	3.9
559.36304	55.6
560.36310	3.7
575.96661	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	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.05507	27.1
57.03414	8.6
65.03937	4.3
67.05501	100.0
67.05859	5.2
69.07053	22.2
71.04985	5.5
79.05482	98.1
81.03400	7.9
81.06581	6.0
81.07046	71.4
83.04985	7.8
83.08599	9.6
85.06528	6.2
91.05473	70.4
93.07042	86.0
95.04964	25.7
95.08595	52.0
97.06554	6.0
97.10147	8.9
105.04508	10.7
105.07034	50.7
107.04969	9.0
107.08585	31.4
109.10161	14.0
117.07018	15.3
119.08557	30.3
121.10134	14.7
123.08071	7.5
123.11726	5.0
129.07025	16.5
131.08588	11.7
133.10143	13.8
135.11682	11.5
143.08546	13.3
145.04779	4.4
145.10103	20.2
147.08041	6.8
147.11636	30.0
149.13231	5.1
159.11687	11.6
161.13268	18.6
171.11646	31.4
178.08162	4.6
189.12749	10.3
207.13739	23.8
243.35587	5.0
250.11264	6.0
256.26620	5.0
261.22153	10.7
281.17502	49.6
335.25809	59.0
342.89066	5.2
409.45950	5.8
449.33975	5.5
467.35245	4.9
485.36203	4.8
493.76492	4.9
541.38843	73.7
542.39087	7.0
559.40161	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06816	1.2
52.94037	1.2
54.82111	1.2
58.10448	1.1
69.03426	2.0
71.42234	1.3
81.03421	1.3
81.07045	1.4
85.02908	1.2
85.06544	2.3
100.11266	1.6
105.07027	1.5
109.02879	1.8
114.21545	1.2
117.07021	2.3
127.03909	2.1
131.08511	1.7
137.02333	6.9
147.04358	1.9
154.30444	1.2
173.09518	1.7
206.07309	1.4
220.08864	1.6
221.06030	1.4
234.88089	1.4
235.07483	3.8
236.08395	1.7
247.07477	3.1
248.08301	4.2
249.09091	3.6
251.10576	2.7
263.07007	6.8
264.07739	4.2
265.08521	1.9
275.07004	4.9
276.07721	1.3
279.07159	2.4
279.10114	19.9
291.06564	4.4
292.07074	1.9
295.09647	3.3
305.08136	1.4
306.08801	5.3
307.09625	25.1
319.05942	2.2
319.09485	1.4
320.06628	2.9
323.09030	7.6
337.10675	21.4
351.08630	2.4
381.09659	100.0
382.10095	3.6
390.39236	1.5
395.91446	1.4
560.28479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33757	0.3
51.02382	0.3
53.03937	0.4
55.01848	0.4
55.05259	0.4
55.05504	4.7
57.03410	0.4
57.07069	18.0
58.53707	0.3
61.72398	0.3
61.75130	0.3
65.03921	0.7
69.03402	1.3
69.66839	0.9
73.06531	0.8
75.39777	0.3
81.03414	1.3
84.72142	0.3
85.02895	3.0
87.00803	1.2
91.05450	0.3
93.03439	0.3
97.02874	1.4
98.22731	0.4
99.04435	0.5
103.03075	0.4
103.80552	0.3
105.01841	0.6
109.02858	0.9
121.02850	2.2
121.03958	0.5
127.03918	2.0
129.06985	0.4
131.08495	0.3
145.04985	0.6
149.02321	100.0
150.02676	1.5
159.02911	0.6
161.05922	1.0
167.03377	1.3
175.07497	3.6
183.80836	0.3
185.05885	0.3
190.04916	0.3
200.33514	0.3
203.06976	7.4
205.08571	8.2
221.08031	1.4
223.09486	0.3
231.04875	0.3
244.61285	0.3
249.10709	0.3
277.14307	38.6
278.14581	1.4
295.15335	1.9
516.20605	0.4
525.43872	0.3
561.19110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
53.49927	0.2
55.05508	2.0
57.03418	0.2
57.07071	2.1
65.03937	0.8
67.05509	0.3
69.03416	0.9
69.20533	1.3
73.06551	0.3
81.03414	0.9
81.07042	0.4
85.02910	1.8
86.76042	0.2
87.00822	1.1
93.07020	0.5
97.02884	1.0
99.04459	0.6
105.01864	0.6
105.06989	0.6
109.02872	0.8
117.44328	0.2
121.02871	2.1
121.03746	0.4
127.03901	1.0
129.36993	0.2
139.62378	0.2
145.04944	0.4
149.02330	100.0
150.02695	1.2
155.32899	0.3
159.02904	0.5
167.03391	1.3
168.51828	0.3
189.16431	0.3
190.04990	0.5
201.05478	0.3
202.05901	0.3
203.07043	0.5
205.08586	19.2
221.08086	0.8
231.04887	0.3
253.39569	0.2
277.14331	8.7
295.15326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.2
57.07087	5.1
66.93170	6.1
67.05506	32.2
69.03433	13.7
69.07054	19.2
71.43237	6.6
79.05489	74.5
81.03417	11.8
81.07053	38.9
83.08627	7.2
84.89706	4.7
85.02910	30.7
87.00809	11.8
91.05475	30.9
93.06458	6.3
93.07034	98.8
95.04969	12.9
95.08605	33.7
95.09116	5.4
97.02884	17.0
97.10161	9.1
105.01846	12.4
105.04487	8.5
105.07027	16.1
107.08595	47.4
109.02848	5.6
109.10155	16.1
119.08569	12.9
121.10139	44.6
127.03896	21.8
131.08536	5.5
133.10123	18.6
135.11694	45.7
144.56506	5.0
145.04951	7.3
147.11662	8.9
149.13223	27.4
159.11700	7.1
163.14790	6.8
173.13318	4.9
210.24092	5.1
211.65253	5.3
231.04927	6.5
277.21622	100.0
479.79138	5.6
507.99185	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	560.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89209	6.9
52.47126	6.1
53.02150	5.5
53.03952	9.2
55.01870	10.3
55.05499	16.3
56.70198	5.9
57.03426	10.9
62.83906	6.3
65.41081	6.3
67.05499	13.2
67.49164	5.7
69.03429	12.1
69.07067	10.4
71.04999	9.3
79.05481	23.7
81.03389	13.0
81.07062	22.8
83.04990	20.8
85.02921	7.3
85.05728	6.1
85.06549	24.1
87.04446	7.6
89.87988	7.5
91.05474	80.2
93.07044	45.8
95.04955	59.9
95.08600	17.6
95.65038	5.9
97.06534	32.2
99.04456	7.2
99.08123	12.0
101.06010	23.1
103.05451	40.2
105.07021	92.5
107.04949	20.2
107.08586	25.2
109.06514	17.9
111.08064	6.9
115.05405	6.2
117.06993	33.9
119.04956	46.3
119.07047	15.5
119.08556	34.3
121.06501	33.4
121.10110	8.5
123.08063	8.1
127.03879	10.4
128.06221	40.7
129.07005	23.3
131.04919	100.0
131.08562	54.3
133.06477	75.5
133.10124	48.5
135.08029	12.7
141.06999	21.1
143.08562	89.1
145.06450	31.7
145.10121	39.9
147.04398	68.5
147.08049	32.1
147.11693	8.6
148.04724	24.0
149.06007	21.1
149.09560	11.9
151.07487	6.6
155.08554	21.2
157.10106	22.8
159.08038	25.9
159.11690	25.7
161.09590	65.5
163.07550	18.4
166.07986	7.2
167.08601	7.6
168.09312	13.0
171.08037	43.2
171.11795	7.0
173.09657	25.8
173.13258	19.8
177.09106	11.4
177.12701	8.4
183.11700	36.3
185.09474	12.6
187.11197	28.9
189.09091	49.8
191.10616	9.0
193.08481	6.8
196.08742	10.4
199.11241	7.6
201.12706	60.4
201.14038	5.5
203.10623	17.4
205.12221	11.3
207.10188	24.7
211.11185	25.6
215.97867	6.4
219.13763	16.8
229.12228	91.7
247.13307	61.3
259.20422	6.7
265.14352	12.8
287.19333	6.6
289.14328	10.0
398.25974	17.7
404.56549	6.5
414.76407	8.0
528.17310	47.7
560.19934	19.3
560.30878	23.2
561.19293	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89209	6.9
52.47126	6.1
53.02150	5.5
53.03952	9.2
55.01870	10.3
55.05499	16.3
56.70198	5.9
57.03426	10.9
62.83906	6.3
65.41081	6.3
67.05499	13.2
67.49164	5.7
69.03429	12.1
69.07067	10.4
71.04999	9.3
79.05481	23.7
81.03389	13.0
81.07062	22.8
83.04990	20.8
85.02921	7.3
85.05728	6.1
85.06549	24.1
87.04446	7.6
89.87988	7.5
91.05474	80.2
93.07044	45.8
95.04955	59.9
95.08600	17.6
95.65038	5.9
97.06534	32.2
99.04456	7.2
99.08123	12.0
101.06010	23.1
103.05451	40.2
105.07021	92.5
107.04949	20.2
107.08586	25.2
109.06514	17.9
111.08064	6.9
115.05405	6.2
117.06993	33.9
119.04956	46.3
119.07047	15.5
119.08556	34.3
121.06501	33.4
121.10110	8.5
123.08063	8.1
127.03879	10.4
128.06221	40.7
129.07005	23.3
131.04919	100.0
131.08562	54.3
133.06477	75.5
133.10124	48.5
135.08029	12.7
141.06999	21.1
143.08562	89.1
145.06450	31.7
145.10121	39.9
147.04398	68.5
147.08049	32.1
147.11693	8.6
148.04724	24.0
149.06007	21.1
149.09560	11.9
151.07487	6.6
155.08554	21.2
157.10106	22.8
159.08038	25.9
159.11690	25.7
161.09590	65.5
163.07550	18.4
166.07986	7.2
167.08601	7.6
168.09312	13.0
171.08037	43.2
171.11795	7.0
173.09657	25.8
173.13258	19.8
177.09106	11.4
177.12701	8.4
183.11700	36.3
185.09474	12.6
187.11197	28.9
189.09091	49.8
191.10616	9.0
193.08481	6.8
196.08742	10.4
199.11241	7.6
201.12706	60.4
201.14038	5.5
203.10623	17.4
205.12221	11.3
207.10188	24.7
211.11185	25.6
215.97867	6.4
219.13763	16.8
229.12228	91.7
247.13307	61.3
259.20422	6.7
265.14352	12.8
287.19333	6.6
289.14328	10.0
398.25974	17.7
404.56549	6.5
414.76407	8.0
528.17310	47.7
560.19934	19.3
560.30878	23.2
561.19293	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33615	1.4
60.42461	1.2
61.03807	1.1
70.65687	1.9
70.66029	2.3
93.58766	1.3
94.93003	48.7
96.92804	1.4
98.97571	2.3
103.87864	1.3
112.89646	7.5
114.89347	6.2
134.92511	2.9
136.94006	13.5
137.02713	1.4
138.93752	2.5
149.86627	1.3
152.93515	1.7
152.95192	1.4
164.61490	1.2
170.71729	1.3
176.93498	22.1
179.95163	1.2
180.93037	5.3
192.93015	1.6
194.94595	3.3
218.92979	1.9
219.01833	2.2
222.94043	67.9
223.94312	2.3
224.95711	2.5
234.94160	2.3
236.94502	4.6
250.93532	10.7
255.04031	1.7
264.95178	3.9
278.88684	3.2
278.95813	7.4
282.96146	2.7
296.95432	3.3
308.96133	2.1
320.96561	2.6
322.97311	3.5
338.96481	3.6
350.96747	2.1
364.99994	1.3
380.92368	1.4
380.97653	1.4
381.07614	2.6
382.99646	2.2
398.98376	3.3
399.08377	1.7
402.90601	2.9
403.06027	1.8
410.99908	1.4
413.00882	1.8
419.03568	1.9
430.89948	1.4
436.97034	2.2
440.99472	1.7
462.91418	2.2
462.98022	1.8
468.99265	11.5
496.99161	7.0
501.02567	6.9
523.77069	1.7
529.01648	24.9
561.04236	100.0
561.15363	8.3
562.04120	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	561.1943
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
51.55485	0.3
53.25523	0.3
55.05513	0.3
59.01695	0.3
71.41150	0.3
72.13304	0.3
83.04980	0.7
85.02905	2.2
89.16257	0.3
101.81105	0.3
111.04457	0.5
128.48314	0.3
147.04492	0.5
147.26653	0.3
151.03941	0.4
163.03900	0.5
171.06584	1.3
189.07600	0.6
249.10942	0.6
313.18011	1.0
431.09067	0.4
543.35718	0.3
561.19373	100.0
562.19910	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	561.1965
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
50.27240	1.1
53.03943	1.7
54.29045	1.1
54.75475	1.0
65.79131	1.0
67.05492	2.0
69.03420	6.2
69.07082	1.5
70.26393	1.1
71.42400	1.5
78.87299	1.2
81.03416	6.3
81.07053	1.9
85.02897	11.4
87.00806	3.6
91.05478	1.4
92.48887	1.2
93.07075	1.8
95.08581	2.2
97.02869	3.0
99.04442	3.2
105.01859	2.5
107.08594	1.3
109.02869	4.4
114.12823	1.7
117.01939	1.3
124.51142	1.1
127.03866	5.7
129.01857	1.3
133.10081	1.5
135.04388	1.2
140.90637	1.0
145.04921	2.3
147.04375	1.8
159.02875	1.4
159.11655	1.1
162.73650	1.1
163.03920	2.3
164.10887	1.1
171.08043	1.3
191.08412	1.9
193.10211	1.4
194.54970	1.1
206.10886	3.2
215.08597	2.4
216.09306	5.7
219.07994	5.3
221.13216	3.7
231.11696	4.9
233.09694	2.1
234.10400	13.4
235.11168	1.4
236.08258	2.0
237.09082	1.5
244.08850	3.0
249.12723	18.2
254.09293	4.0
259.11151	7.2
262.09848	35.3
262.12515	2.2
267.13959	1.5
277.12186	24.9
277.21439	1.2
280.10974	6.0
295.13251	35.7
296.13742	1.6
313.14294	100.0
314.14572	4.0
332.20004	1.3
425.20523	1.3
511.03616	1.1
532.39209	1.2
561.19427	19.2
561.30243	3.2
561.39948	20.0
562.21002	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62754	2.2
71.41853	2.3
76.11052	2.2
84.92093	2.2
89.91486	1.9
91.18230	2.6
224.29204	2.1
239.06787	92.1
309.58542	2.5
361.10428	26.4
367.24463	19.5
369.27435	2.4
561.20782	31.6
561.30054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63189	1.9
67.05500	3.6
70.05464	3.8
83.05020	1.8
91.05470	3.6
95.04987	3.9
98.22820	2.2
101.84628	1.9
105.07033	3.3
109.06615	1.8
114.91872	2.1
127.25182	1.9
131.08476	2.4
186.91408	1.8
211.79611	1.9
239.06778	85.0
250.36807	1.8
277.21548	2.0
361.14066	81.3
473.04977	2.1
561.24524	100.0
562.24481	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	561.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09703	0.8
55.05515	2.8
58.57949	0.9
67.05506	7.8
68.45563	0.9
69.07069	3.2
70.35559	0.8
79.05498	5.7
80.24344	0.9
81.07051	9.1
91.05480	7.5
93.07028	8.3
95.05003	1.5
95.08599	5.4
96.59856	1.0
97.06520	1.5
97.10193	1.1
99.08078	1.6
105.07021	12.3
107.04941	1.0
107.08576	4.8
109.10178	2.5
111.04318	0.9
117.07040	3.4
119.06135	0.9
119.08583	10.5
121.10155	3.4
129.07045	1.6
131.08540	3.9
133.10158	5.7
135.11659	1.4
137.09685	1.1
137.59695	0.9
141.18260	0.9
144.09433	1.3
145.10115	4.0
147.11697	1.9
154.19550	0.9
157.10114	1.0
159.11655	6.0
161.13243	8.8
163.11113	1.5
173.13322	1.4
175.14839	1.2
183.06273	16.1
188.98102	0.9
209.11842	1.0
223.09430	1.2
251.48413	1.1
277.21429	1.3
279.07736	1.0
283.11499	100.0
284.11832	2.6
301.17731	36.9
301.21283	1.9
451.31577	1.1
543.36426	3.3
561.30182	18.2
561.37933	2.2
562.31006	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63792	0.8
55.05501	1.4
55.41175	0.9
61.09197	0.9
64.07589	0.9
67.05501	2.8
69.07064	2.3
69.42490	3.3
79.05494	2.7
81.07056	3.8
83.08603	1.0
85.06532	1.4
85.59812	1.2
86.57458	1.1
91.05466	6.0
93.07054	4.5
95.08602	3.0
104.10786	0.9
105.07018	14.7
107.08583	2.9
109.06507	0.9
117.06982	5.0
119.08558	8.2
121.10126	1.3
129.93764	1.2
131.08583	2.7
133.10139	3.1
145.10120	4.8
159.11685	8.9
161.13232	7.2
183.06270	16.1
201.16327	1.9
223.09396	1.9
235.11247	2.1
241.15729	3.3
262.70972	1.1
263.10608	2.2
265.12268	3.0
279.10187	2.6
280.10947	2.1
281.11658	1.6
283.11484	100.0
284.11960	2.4
301.17673	16.2
324.73599	1.1
327.23013	1.0
561.22064	2.1
561.30365	46.4
562.30652	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	561.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	1.2
67.05476	1.3
69.07018	1.5
69.85167	2.4
79.05457	2.7
81.07016	2.8
83.04929	1.0
85.06489	1.1
90.59866	0.7
91.05466	4.9
91.97807	0.7
93.06997	2.7
95.08611	1.8
97.02722	0.8
98.22745	1.5
105.07025	10.2
107.08547	2.2
109.10077	0.8
117.06976	4.9
119.08554	6.6
121.10138	0.9
131.08542	2.1
133.10101	2.5
140.86331	0.7
141.45572	0.8
145.10078	3.8
158.60963	0.7
159.11681	7.1
161.13237	6.6
171.02864	0.7
183.06271	17.4
201.16270	1.4
223.09410	1.9
241.15723	4.9
283.11496	100.0
284.11884	2.8
301.17731	23.5
302.17697	1.1
444.18607	0.8
501.28357	0.8
561.30267	50.3
562.30627	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01870	13.0
55.05504	52.6
57.03429	10.1
57.07062	7.1
59.04976	2.9
65.03938	4.0
66.79238	2.1
67.05496	87.2
69.03426	4.4
69.07065	27.5
70.00019	6.1
71.04987	8.3
73.62685	2.1
79.05484	65.6
81.03397	15.0
81.07046	92.4
83.01337	2.2
83.04971	15.5
83.08617	36.2
85.02873	2.8
85.06514	5.7
89.06034	2.5
91.05473	52.5
93.07031	67.1
95.04972	18.0
95.08593	61.0
97.06516	8.6
97.09582	4.5
97.10159	40.0
99.04420	2.9
101.01090	2.5
103.05453	2.4
105.04527	3.9
105.07024	56.7
107.04945	7.6
107.08578	54.7
107.09259	4.6
109.06490	5.4
109.10141	38.3
111.04430	10.8
111.08054	5.6
115.05494	5.0
116.19672	2.1
117.07010	25.5
119.08566	38.4
121.06515	3.9
121.10134	30.3
123.08069	7.9
123.11703	12.2
125.09599	34.1
129.07014	12.3
130.07759	2.7
131.08553	37.2
131.09454	3.2
133.06537	1.9
133.10118	36.3
135.08032	8.2
135.11673	25.8
137.09660	2.3
137.13243	5.9
139.11263	2.6
141.07028	4.1
142.07837	3.2
143.08525	13.4
145.06487	3.2
145.10103	40.5
147.08049	4.1
147.11652	21.4
149.09593	5.2
149.13258	9.5
153.09088	2.8
153.12714	6.4
155.08559	9.1
157.10069	16.8
159.11649	22.7
161.13246	16.3
163.11214	18.8
163.14789	5.0
167.08585	3.2
169.10086	4.9
171.11664	9.4
173.09612	5.3
173.13213	16.2
175.11243	3.6
175.14844	6.6
177.16360	3.3
181.12238	8.7
183.11687	8.8
185.13268	10.0
187.14806	12.7
189.11203	19.1
191.10716	4.7
195.11523	2.9
197.13278	3.5
199.14815	6.4
201.16420	6.0
203.14359	3.2
209.11719	4.4
211.14954	2.7
213.16351	3.8
227.12697	34.6
234.60815	2.3
241.19530	3.2
243.21080	3.0
245.13728	5.3
253.19652	2.9
257.19077	2.5
259.20560	7.7
261.22098	26.5
267.15967	3.0
277.21628	6.8
281.22632	4.1
283.15274	18.8
283.20361	2.9
291.23148	2.2
297.22049	2.7
299.23618	27.1
301.21552	4.8
317.24664	19.5
327.22668	2.8
333.24274	5.6
335.25836	15.2
357.24152	2.6
362.06638	3.1
367.39157	2.3
373.27420	4.0
433.30975	7.2
451.31955	13.1
469.33157	13.3
487.34106	10.0
515.36920	6.6
525.35693	18.1
543.36737	100.0
544.37317	6.0
561.37811	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	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
54.58753	2.4
55.01856	10.7
55.05257	4.2
55.05507	59.5
57.03438	12.2
57.07077	4.4
59.04987	2.5
67.05501	80.5
69.03401	6.0
69.07069	23.6
69.27497	12.6
71.04964	7.0
77.00589	7.6
77.03936	3.6
77.37824	2.2
78.63544	2.1
79.05482	61.6
81.03423	15.1
81.07050	77.8
83.01316	3.5
83.04983	16.9
83.08624	27.6
85.02889	4.3
85.06532	5.6
89.05991	5.9
91.05470	54.0
91.25891	2.1
93.07042	56.6
95.01633	25.6
95.04959	15.7
95.08591	49.8
97.06497	4.3
97.10166	39.6
98.23440	5.6
105.07024	46.6
107.04922	4.0
107.08584	53.7
109.06498	6.2
109.10143	28.2
111.04411	9.4
111.08062	8.2
112.00809	2.2
115.05430	2.8
117.07003	24.3
119.08562	38.5
121.06466	4.2
121.10137	25.9
123.08096	4.9
123.11701	13.1
125.09618	31.9
126.67665	2.1
129.06984	10.7
131.08554	35.0
133.06483	3.0
133.10130	24.0
135.08063	8.7
135.11681	28.7
141.06946	5.2
143.08565	12.7
145.06674	10.2
145.10118	39.3
147.04736	17.3
147.08054	4.0
147.11658	16.5
149.09618	4.3
149.13248	8.0
153.09077	4.4
153.12790	5.7
155.08530	7.4
157.10080	12.8
159.11668	24.8
161.09775	2.7
161.13255	8.1
163.11174	19.7
163.14775	5.8
165.05800	4.5
165.12639	2.6
167.08430	2.9
169.10127	6.3
171.10262	3.9
171.11667	12.5
173.09663	2.8
173.13234	19.8
175.14812	6.0
177.12630	2.2
181.10126	2.3
181.12207	7.2
183.11739	3.9
185.13249	7.8
187.11327	3.0
187.14813	8.8
189.09573	3.0
189.11177	23.6
189.16365	4.0
191.07239	2.9
191.10645	4.6
193.12195	5.3
197.13219	3.6
199.14764	4.0
201.12718	2.7
201.16399	4.7
209.11697	4.4
211.13147	5.6
227.12732	48.8
227.14722	3.8
238.65594	2.8
241.19519	4.6
243.21181	3.1
245.13794	6.1
259.20508	4.6
261.22137	25.0
265.19531	2.4
267.15854	2.8
273.22092	3.9
277.21765	2.9
279.23196	3.2
281.22598	3.7
283.15356	23.8
285.21707	2.9
289.21896	2.8
291.23215	3.0
297.22198	3.8
299.23599	27.5
301.21667	3.8
315.22955	3.4
317.24686	21.2
333.24121	4.1
335.25769	16.7
341.15643	5.6
346.24771	2.2
355.26675	2.4
415.30005	3.0
433.30829	9.3
441.33798	4.1
451.32147	18.5
452.31985	3.1
469.33209	20.6
487.34396	12.2
515.37079	6.6
525.35608	24.0
532.06177	2.4
543.36755	100.0
544.36768	7.4
561.30078	4.0
561.37854	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.2
55.01860	2.6
55.05503	26.3
57.03431	4.1
57.07071	2.7
65.03921	4.7
67.05495	85.2
69.03423	4.7
69.07053	19.6
71.04981	63.2
79.05482	71.9
81.07047	100.0
83.04980	13.3
83.08604	12.9
84.96540	2.3
85.06530	7.2
86.15612	2.2
91.05466	69.9
93.07034	72.9
95.04966	10.2
95.08594	40.5
97.06515	8.7
97.10155	2.5
99.08061	4.5
105.04507	7.5
105.07027	37.2
107.08582	36.2
109.06518	5.2
109.10132	17.3
111.08090	4.2
117.06995	8.9
119.08568	13.4
121.10134	24.0
123.11697	21.7
131.08534	13.4
133.10118	29.8
135.11673	15.4
144.31898	2.8
145.10080	7.9
147.11676	8.8
149.13263	11.5
151.11185	16.9
159.11670	9.6
161.13222	4.5
173.13284	2.2
175.14827	3.1
177.12730	6.9
183.13770	24.0
187.13292	5.5
195.13841	5.2
214.27359	2.2
227.16467	4.0
261.22031	4.6
283.19131	2.5
285.16934	3.6
361.26959	3.2
363.25214	3.4
517.38971	32.3
529.38757	7.9
561.23785	7.6
561.41498	67.5
562.41339	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	562.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.05509	5.9
57.03429	1.4
61.01126	1.9
67.05498	8.4
68.05849	0.9
69.07065	2.2
70.07404	0.7
71.04993	0.9
73.02900	0.8
73.04758	6.6
73.06555	1.7
75.02667	1.0
76.90506	0.7
77.00600	29.9
79.02162	2.6
79.05485	5.3
81.03418	1.2
81.07055	7.6
82.07387	1.2
83.05004	1.6
83.08601	2.5
86.15091	0.8
87.04462	1.3
89.06026	6.4
91.05866	10.2
92.05820	0.9
93.03773	1.0
93.07034	6.9
94.07338	1.8
95.01637	100.0
95.04977	1.7
95.08595	4.4
96.05302	0.7
97.10178	4.1
98.10472	1.1
99.02674	1.8
101.04192	1.2
103.02146	1.2
105.00006	0.8
105.07021	3.7
107.08593	3.4
108.08894	1.5
109.10145	2.2
109.12418	0.8
110.10497	1.7
113.02676	3.7
114.07321	1.2
117.03699	2.0
117.07380	3.7
117.09119	1.4
118.03230	7.4
119.01601	4.6
119.08571	3.0
121.03139	7.9
121.10155	2.5
123.11722	0.9
125.09640	3.3
129.07016	1.3
131.08546	2.5
133.08588	1.8
133.10133	2.7
134.10435	1.0
135.11708	2.6
136.11992	1.0
145.06786	31.7
145.10117	2.5
146.10443	1.3
147.04709	68.0
147.11682	0.8
153.09033	0.7
155.08438	0.9
157.10120	1.1
159.11685	0.9
161.09903	5.5
161.13231	0.8
164.11438	1.0
165.05783	10.9
167.05521	1.7
169.03455	2.5
169.10074	0.8
171.11702	1.0
175.14839	1.0
186.13580	0.9
189.09436	16.5
189.11115	1.2
190.09552	0.8
191.07326	14.3
219.17416	1.7
221.08449	1.2
227.12828	3.7
228.13022	1.1
233.12009	2.6
235.09941	8.2
239.09479	8.0
262.22406	1.4
265.11053	1.1
277.14700	2.3
283.15366	1.2
284.29550	1.0
299.23569	1.2
300.24051	2.1
336.26178	1.7
365.19952	8.1
452.32413	1.3
470.33267	1.6
526.36151	1.6
544.37006	8.5
562.38202	5.2
562.47852	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
72.16962	0.8
74.38005	0.8
82.24092	0.8
132.02386	0.8
181.04912	1.2
183.09953	3.9
211.09447	1.6
215.05258	1.1
221.08443	1.0
233.96828	0.9
235.97160	0.9
299.07379	0.8
327.14111	2.2
345.15216	3.1
359.09351	1.5
387.16248	7.1
403.08072	1.0
421.09296	1.0
459.18631	1.4
477.19489	9.3
519.20447	41.4
520.21179	1.3
531.81030	0.9
545.18066	1.2
563.19415	100.0
564.19489	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	563.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	8.5
59.09290	0.7
76.45941	0.7
77.37309	0.7
77.38004	0.8
77.78468	0.8
83.94655	0.7
84.15028	0.7
84.96033	4.0
89.21085	0.7
98.97579	30.1
101.34182	0.7
109.10168	1.8
110.97549	7.1
116.98616	11.7
124.99146	1.4
128.98604	8.1
131.00179	0.9
134.99667	2.6
140.98610	2.2
143.00153	3.9
144.98126	1.6
146.99657	3.5
152.98625	2.2
155.71391	0.9
158.99661	7.6
161.01180	4.0
162.99171	1.6
170.99637	5.0
173.01149	1.2
177.00719	7.6
178.68480	1.1
182.99725	0.8
189.00674	5.5
201.00757	2.4
202.10930	1.6
203.10876	1.1
207.01884	0.9
213.00748	2.1
219.01747	12.7
231.01788	1.8
237.02789	18.8
242.74646	0.8
249.02818	1.0
273.02692	1.4
287.11551	1.5
291.04083	0.9
311.11639	1.3
327.25986	0.8
329.12741	1.4
371.13855	3.4
389.14807	44.2
407.15936	3.6
412.16519	1.1
503.17978	100.0
504.17969	4.0
521.18805	3.6
563.20264	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	563.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08612	0.8
61.35722	0.7
70.93399	1.0
95.01077	1.9
111.00409	0.8
112.01345	1.3
113.02130	1.6
116.65319	0.8
122.07201	1.3
136.06213	2.6
157.04674	0.9
181.04958	1.9
185.04248	3.2
185.05750	1.0
201.03598	1.1
202.10921	2.0
203.05284	1.0
204.07619	2.7
220.12027	1.2
258.40509	1.0
365.08365	1.4
456.01749	0.9
563.13495	5.4
563.20984	100.0
564.21484	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	563.21
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
53.13779	0.5
53.20658	0.5
66.91116	0.5
70.06496	0.6
71.42358	0.6
113.19862	0.6
120.24424	0.7
175.03661	2.2
204.07585	3.2
219.06325	0.7
245.51686	0.6
351.10492	3.2
365.12085	3.9
401.15662	9.7
519.08215	0.7
553.29108	0.7
563.20929	100.0
564.21289	5.1
577.04437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65405	1.1
61.80801	1.1
79.05519	2.1
86.85793	1.0
91.05481	3.2
105.07041	3.6
117.07023	2.2
119.08546	1.3
129.07050	2.0
131.08540	2.6
141.05217	4.6
143.08578	1.8
147.84084	1.1
164.36888	0.9
173.09714	2.7
239.06787	21.0
241.10458	100.0
242.10846	3.4
271.13028	7.4
337.24475	1.1
345.16693	48.2
345.41812	1.1
346.17151	1.7
354.11545	1.3
363.12027	41.9
563.20959	23.6
563.28723	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	563.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67785	1.9
56.91477	1.9
65.86333	1.7
65.94254	1.9
69.24030	11.5
78.81907	2.1
81.03422	3.9
81.07029	1.9
87.99355	1.9
91.05486	2.4
91.25663	2.0
95.05023	3.2
95.08674	2.4
96.15295	2.1
97.08565	2.2
105.07034	2.1
108.76552	1.9
111.08060	2.2
119.08557	2.7
163.03931	2.5
174.84418	1.9
239.06799	39.0
315.19434	11.6
363.11990	100.0
364.12320	4.9
473.28375	2.1
563.22443	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	563.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09665	1.7
71.41217	1.8
79.89685	1.5
92.63165	1.4
95.48745	1.5
106.42215	1.8
117.06995	1.5
163.03893	8.0
163.11528	1.7
211.84508	2.1
252.94919	1.6
255.06253	24.4
255.08594	2.9
267.54745	1.8
307.85507	1.5
315.19196	2.4
328.00775	1.7
340.13855	1.9
344.62799	1.6
347.12527	100.0
348.12839	3.9
449.64929	1.7
477.24429	7.2
516.75323	1.8
519.25702	21.8
563.22992	93.2
564.23547	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	563.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38980	6.9
59.10707	6.8
59.22416	6.2
80.15881	8.0
95.04967	23.9
98.23486	21.2
107.08569	8.3
109.06503	14.7
127.03818	6.6
141.73662	6.8
146.06003	19.9
147.11771	7.6
163.03905	19.3
165.12758	47.8
195.60143	6.9
223.99048	7.1
239.06816	54.9
347.12411	8.8
363.11990	95.7
400.62592	7.9
493.50537	7.0
519.25262	12.6
563.23547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2461
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
52.11044	0.4
69.30808	2.6
86.09734	0.7
107.31493	0.6
139.03857	0.6
141.67542	0.4
147.04396	0.8
161.91057	0.5
163.03937	1.6
227.05307	0.6
271.04282	1.8
297.18286	1.6
298.46039	0.5
315.19333	5.1
357.20444	0.5
384.11340	1.1
459.23407	1.4
477.24585	4.3
501.24637	3.9
519.25586	30.2
520.25897	1.1
545.23492	10.7
563.24554	100.0
564.24969	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	563.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.8
67.05498	2.4
69.07054	1.4
69.14362	5.4
76.36793	0.8
79.05485	3.4
81.07051	3.1
83.04976	2.6
83.79068	0.8
91.05458	5.3
93.07042	3.0
95.08610	3.8
98.23450	1.5
105.07021	11.3
107.08612	3.0
109.10155	0.8
115.05444	0.8
117.07016	4.9
119.08577	5.7
121.10155	1.8
123.04182	1.6
127.00024	12.9
131.08586	2.2
133.10158	2.9
137.19725	0.9
141.05219	10.9
145.10097	5.0
159.11673	6.1
161.13232	4.9
201.16335	1.3
241.10446	100.0
241.15541	9.8
242.10788	1.3
259.16705	2.1
265.14975	0.9
301.17740	16.0
345.16699	15.5
401.22900	3.0
403.24423	1.1
436.25034	0.9
459.27127	3.5
519.29272	48.3
520.29645	1.7
563.28229	86.4
564.28497	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	563.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.8
67.05498	2.4
69.07054	1.4
69.14362	5.4
76.36793	0.8
79.05485	3.4
81.07051	3.1
83.04976	2.6
83.79068	0.8
91.05458	5.3
93.07042	3.0
95.08610	3.8
98.23450	1.5
105.07021	11.3
107.08612	3.0
109.10155	0.8
115.05444	0.8
117.07016	4.9
119.08577	5.7
121.10155	1.8
123.04182	1.6
127.00024	12.9
131.08586	2.2
133.10158	2.9
137.19725	0.9
141.05219	10.9
145.10097	5.0
159.11673	6.1
161.13232	4.9
201.16335	1.3
241.10446	100.0
241.15541	9.8
242.10788	1.3
259.16705	2.1
265.14975	0.9
301.17740	16.0
345.16699	15.5
401.22900	3.0
403.24423	1.1
436.25034	0.9
459.27127	3.5
519.29272	48.3
520.29645	1.7
563.28229	86.4
564.28497	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	563.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
53.74565	0.4
55.01860	1.7
55.05504	16.7
57.03429	0.9
59.62878	0.5
65.03937	0.6
66.94294	0.5
67.05497	4.0
69.03415	2.0
69.06709	0.8
69.07063	11.6
69.10711	1.3
69.11144	2.1
71.04980	1.8
79.05481	8.0
79.78680	0.5
81.03381	0.8
81.07049	15.2
83.04972	43.0
85.06528	1.2
87.04437	0.5
91.05472	18.3
91.06055	0.9
93.07037	9.9
95.04961	9.7
95.08590	4.4
97.06522	3.2
99.04465	0.6
101.06005	2.1
103.05440	1.5
105.04523	0.7
105.07019	28.8
107.04942	1.3
107.08582	11.2
109.06532	3.6
109.10160	0.7
111.08006	0.7
115.05412	3.8
116.06223	1.5
117.07009	12.3
118.07785	0.5
119.04929	0.5
119.08566	14.7
119.09423	0.8
121.06519	5.4
121.10118	1.5
123.08051	1.7
125.05979	0.7
128.06195	10.1
129.06998	15.0
130.07782	5.7
131.04948	0.9
131.08554	21.5
133.06458	2.7
133.10120	9.9
135.08051	3.9
137.05975	0.7
141.06976	3.5
142.07759	8.4
143.08548	46.2
144.09274	2.1
145.06485	4.1
145.10107	73.1
146.10471	1.0
147.08055	5.4
147.11671	3.8
149.09593	10.5
151.07523	1.7
152.06100	0.6
153.06985	3.0
154.07756	1.8
155.05962	0.7
155.08537	21.2
156.09326	6.9
157.06529	0.8
157.10114	24.7
158.07251	1.6
159.08058	3.0
159.11682	10.1
161.09605	20.2
161.10976	0.9
161.13217	4.0
163.11201	2.2
165.06995	6.6
166.07687	0.8
167.08575	2.3
168.09335	1.0
169.10097	4.8
170.10886	3.1
171.08014	5.1
171.11679	10.2
172.08798	0.7
173.09602	34.6
173.13234	1.5
174.10118	0.7
175.11166	4.1
175.14809	3.6
177.12842	0.5
179.08516	1.4
180.09322	7.2
180.10927	0.7
183.08104	0.8
183.10135	3.5
183.11690	2.8
184.12517	0.6
185.09659	2.0
185.13235	32.1
186.13596	0.7
187.11160	3.3
189.09081	1.1
189.12700	4.5
191.10631	2.9
195.11667	18.7
196.12003	0.7
198.10336	2.3
201.12726	5.1
203.14297	17.1
213.12721	39.6
214.13058	0.9
219.13777	2.0
221.15446	0.9
225.65114	0.6
231.13773	100.0
232.14095	2.6
249.14824	8.7
327.19437	0.7
345.20547	1.5
363.21606	4.4
563.30609	0.6
574.54059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.8
55.01859	12.1
55.05500	10.2
57.03427	13.4
58.53946	4.4
61.02909	4.5
64.60250	4.3
65.03927	5.2
67.05500	21.1
68.99776	7.8
69.03419	37.3
69.07060	7.4
79.05487	16.3
81.03401	32.0
81.07043	17.2
83.04965	19.0
84.23012	4.8
85.02896	82.0
87.00819	18.8
91.05477	23.0
93.07044	23.5
95.04943	19.3
95.08587	74.0
97.02876	39.1
97.06515	10.5
99.04443	15.6
105.01863	19.3
105.07012	35.9
107.04941	4.6
107.08582	43.3
109.02876	47.7
109.06535	21.4
109.10175	24.8
111.04435	35.3
111.08072	6.3
113.09634	39.4
115.03925	5.2
115.05440	8.9
117.07003	9.9
119.08566	29.3
121.02884	4.9
121.06480	16.1
123.04410	29.2
123.08031	7.5
125.02313	15.8
125.05989	5.3
125.09613	18.0
127.03902	49.8
128.06209	9.6
129.01877	5.8
129.07005	13.2
131.08571	14.3
133.06474	9.8
133.10126	22.7
135.08061	24.5
137.02312	23.4
137.05956	14.9
137.09595	17.5
138.10388	5.2
139.03886	25.4
139.07426	5.1
141.06992	5.6
142.07729	10.5
143.08530	18.0
145.04932	12.1
145.06448	10.4
145.10098	16.9
147.08035	13.5
147.11694	10.0
149.05873	10.6
153.09074	11.9
155.08571	7.1
156.09317	13.0
157.04951	5.0
157.10077	18.6
159.02808	6.3
159.08005	16.1
159.11620	4.4
161.09631	30.9
161.13229	5.6
165.05414	5.4
165.09070	6.5
168.09370	4.3
171.11659	17.6
173.09612	17.8
175.07472	5.9
175.11172	17.8
179.10640	18.1
184.08855	4.9
185.09581	12.7
189.09093	14.6
189.12720	16.4
191.07001	5.8
197.09561	5.5
199.11221	34.9
201.09061	5.4
203.10648	12.7
205.08591	4.6
207.10188	6.5
216.11624	4.6
217.12238	79.6
219.10081	7.3
227.10660	21.5
229.12170	9.1
231.04852	10.3
235.13280	37.4
245.09509	8.0
245.11725	71.4
247.13232	9.5
263.12762	100.0
281.13727	14.5
324.16000	4.6
347.14661	4.8
366.39108	5.1
432.64001	4.9
475.15677	5.7
511.17847	16.3
529.18744	5.0
564.20654	16.4
583.41754	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	564.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
54.45391	0.5
55.01862	1.5
55.05502	0.9
61.02911	1.2
65.03934	0.7
66.44404	0.5
67.05507	1.7
68.99780	1.0
69.03423	4.7
69.07062	0.7
71.04979	1.1
73.02905	2.2
73.04814	0.5
76.07014	0.5
76.91814	0.5
79.05481	6.9
81.03412	10.7
81.03888	0.7
81.07048	100.0
82.07375	1.4
83.04971	0.7
85.02895	16.8
86.47636	0.6
87.00824	6.5
91.05470	0.9
92.43668	0.5
95.04974	0.7
95.08600	8.4
97.02885	10.2
99.04452	6.5
103.03961	3.7
105.01849	7.7
109.02866	24.1
117.01873	0.7
127.03903	30.6
129.01843	2.2
137.13242	21.3
138.13675	0.6
145.04930	9.7
147.02904	1.2
147.19193	0.5
159.02866	4.1
163.03941	1.4
163.05989	3.9
169.04913	0.9
187.06023	1.1
189.51390	0.5
211.20702	0.5
213.03918	8.7
231.04980	15.0
245.15208	0.7
249.05972	5.0
253.06895	0.7
270.73618	0.6
273.05981	1.4
275.20499	0.5
286.12155	0.5
291.07028	5.5
316.06268	0.6
357.08234	2.0
375.09161	5.4
393.10245	8.0
520.26514	0.5
531.36652	0.6
552.48016	0.6
565.26013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	28.5
67.05499	19.2
69.07050	7.3
69.12110	25.3
71.04988	7.3
79.05488	30.3
81.07047	50.8
83.04979	41.5
83.08627	6.8
85.06527	4.4
88.95335	4.3
91.05475	82.9
92.59453	3.5
93.07024	43.9
95.04960	26.9
95.08604	23.9
97.06525	8.4
100.58118	3.9
103.05502	6.7
105.04511	4.3
105.07025	98.3
107.04948	6.2
107.08600	37.0
108.08104	5.2
109.06541	12.1
109.10127	8.8
111.08081	4.3
115.05453	11.1
117.07002	49.9
119.08570	84.5
121.06519	10.7
121.10159	12.5
123.08058	6.5
128.06229	10.7
129.06993	30.7
131.08559	100.0
133.06473	8.2
133.10127	61.0
135.08063	6.7
135.11681	6.0
139.17244	4.1
141.06984	9.1
142.07765	28.0
143.08539	29.2
145.10120	45.9
147.08054	7.9
147.11670	28.8
149.09651	5.3
149.13240	4.2
151.11116	5.8
155.08534	20.4
157.10120	53.6
159.08060	8.0
159.11655	31.1
161.09647	23.3
161.13254	8.5
163.14803	9.2
167.08600	5.3
169.10153	10.5
171.11707	15.0
173.09593	9.7
173.13243	20.7
175.11182	75.2
177.12756	12.1
182.10918	6.8
187.11203	6.3
187.14812	22.2
191.14337	15.7
197.13234	23.2
203.14352	3.9
215.14293	50.4
233.15340	37.9
264.19586	6.1
273.16357	4.3
314.54813	3.9
316.58420	4.0
335.25616	4.7
364.24844	17.6
394.27222	4.5
564.39490	6.6
565.40057	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	565.1187
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03941	2.2
55.01874	2.1
55.05494	0.5
57.03429	1.6
60.33297	0.3
60.67159	0.3
61.02912	1.3
65.03916	0.3
66.29501	0.3
68.99796	0.8
69.03064	0.6
69.03424	8.6
69.37451	1.3
70.06580	1.0
71.04981	1.2
72.08131	0.4
73.02911	1.6
81.03411	9.4
83.01321	0.6
85.02898	13.7
86.09698	0.5
87.00824	5.4
88.33059	0.3
91.03916	0.4
91.05486	0.3
92.02609	0.9
93.03406	0.9
97.02879	5.4
99.04454	3.0
101.05971	0.4
105.01860	2.7
109.02869	7.2
111.00800	0.5
117.01847	1.5
120.08084	0.4
121.02894	0.9
127.03906	8.7
129.01819	0.9
139.03883	0.9
141.42128	0.3
145.04927	2.8
147.02846	0.5
151.03862	0.9
153.01811	8.3
159.02876	3.6
163.03885	0.4
165.01836	0.7
167.07059	0.8
177.05434	0.4
185.89835	0.3
201.05405	0.6
203.03406	0.4
207.06465	0.6
213.03900	0.4
217.04996	0.8
218.05789	0.6
219.02844	0.4
228.04170	1.8
229.04956	3.8
231.02861	0.6
231.05006	0.9
245.04443	1.2
246.05197	1.6
256.03677	0.3
257.04352	1.9
260.03146	0.4
261.07547	0.4
273.03885	1.9
274.04651	4.0
285.03894	4.1
288.06204	0.4
302.04166	13.0
303.04880	3.9
317.06522	100.0
318.06894	3.5
383.07379	0.4
565.21521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.189
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32761	0.7
67.05497	0.9
69.03429	0.7
85.02927	1.0
87.55056	0.7
130.06586	0.9
149.02348	3.9
184.07361	2.3
245.08026	2.2
257.07846	1.0
261.07431	0.9
275.11105	1.6
299.12482	1.8
317.13635	17.0
345.13126	4.1
376.14771	0.9
446.93109	0.8
461.17703	1.8
479.18832	19.2
480.19461	1.1
521.19891	71.5
522.20111	2.4
565.18829	100.0
566.19507	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	565.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00561	0.4
54.55191	0.4
57.07069	0.5
69.07066	0.4
69.73382	1.1
69.73767	0.9
74.46260	0.5
98.23406	0.6
128.04047	0.4
149.02348	4.2
161.47430	0.4
163.03900	0.8
171.00502	0.7
199.07310	0.8
243.06352	0.5
245.08127	2.3
257.07785	0.8
261.07379	1.8
275.11081	2.2
299.12564	5.8
315.26321	0.5
317.13596	16.3
318.13712	0.5
343.09830	0.5
345.12964	1.1
355.63559	0.5
356.66953	0.5
461.17752	1.2
479.18805	13.4
479.25381	0.9
521.19891	46.0
522.20209	1.6
565.18854	100.0
566.19391	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	565.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
52.61532	0.5
53.03935	1.5
53.24366	0.5
55.01868	44.7
57.03420	1.1
57.56085	0.5
58.50595	0.5
60.93238	0.6
61.02916	1.2
64.06347	0.5
65.03931	4.9
66.04710	0.7
67.05483	1.4
69.03427	6.8
71.01334	0.5
71.04985	0.9
71.41779	0.5
71.42144	0.5
73.02909	1.2
73.76111	0.5
78.04701	0.6
79.05487	2.4
81.03397	2.0
82.04191	1.3
85.02892	12.3
87.04459	1.2
91.05473	4.4
93.03398	2.2
93.07046	0.8
94.04163	2.8
95.04955	4.2
97.02882	6.5
97.06505	1.1
99.04449	1.1
103.05458	18.1
105.04510	0.7
105.07025	2.1
107.04941	6.0
108.02067	1.4
109.02849	1.6
110.03643	1.7
111.04433	2.8
115.05456	4.1
117.07002	5.6
119.04933	3.5
121.02848	0.7
121.03847	0.5
121.06508	5.3
122.03632	7.7
122.13123	0.5
123.04416	4.5
124.05184	1.3
125.05994	3.7
127.03905	2.0
130.04070	1.0
131.04919	37.7
133.06496	4.1
135.08012	1.6
137.05966	100.0
138.03123	1.4
138.06306	1.1
139.03920	0.6
140.04660	1.5
141.05524	0.5
142.02553	0.6
143.04926	1.2
144.05693	1.1
145.02838	0.6
145.04947	0.9
145.05219	1.0
145.06467	11.2
147.04399	3.3
148.05225	0.7
149.05960	4.1
151.03896	18.4
151.04984	1.9
152.04578	0.9
153.05435	6.3
154.06212	1.2
155.04930	0.7
155.06012	2.1
155.07095	2.9
159.04387	6.3
159.05566	0.9
160.05157	1.7
161.05974	5.9
162.06685	0.7
163.03900	2.9
163.07521	20.5
165.05486	0.8
166.73135	0.5
167.07024	34.4
171.06541	3.7
172.05200	1.7
173.05980	10.4
175.03952	3.9
175.07539	2.6
176.04704	2.4
177.05453	13.7
179.06995	5.4
180.68610	0.5
181.04941	72.3
181.08418	1.6
182.05296	1.0
183.06505	1.2
188.04628	0.5
189.05490	4.4
190.06203	1.5
191.07014	22.1
193.04976	0.7
193.08646	1.9
194.05742	4.8
196.07291	2.3
200.04701	0.8
201.05502	2.1
203.07036	1.6
205.05019	0.9
205.08516	4.9
206.05850	1.1
207.06479	8.0
208.07343	4.6
209.08084	7.5
217.04897	1.0
218.05833	1.1
219.06496	13.2
221.08081	8.9
222.08807	1.3
223.06027	1.9
223.09633	9.2
231.06602	1.0
233.08060	9.1
235.07678	1.0
236.06688	0.6
249.07515	1.9
251.09122	70.0
252.09477	1.5
259.06100	0.7
263.06995	1.3
280.53372	0.7
289.10666	28.7
290.10834	0.7
323.08929	0.8
327.12354	1.4
343.11765	1.5
355.12070	0.8
373.12720	7.9
385.12927	2.7
403.13815	48.8
404.14188	1.4
471.55594	0.6
535.18176	0.7
565.19135	59.3
566.19458	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	565.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02385	0.5
69.03431	1.1
70.03471	1.0
72.83807	0.3
76.71106	0.4
78.04713	0.6
79.52818	0.4
81.03413	3.1
85.02903	1.7
86.28532	0.4
89.03905	6.8
89.29256	0.4
91.05470	1.1
97.02885	0.6
98.22742	0.6
99.04468	0.4
106.04160	0.5
106.90726	0.4
109.02896	1.3
117.03369	21.4
117.18800	0.6
134.03633	1.7
135.04425	0.8
141.52502	0.4
145.02837	53.7
146.03189	0.8
149.05975	7.3
163.03923	0.7
177.05458	100.0
177.86723	0.4
177.88779	0.4
178.05783	1.3
186.05493	0.5
191.10580	0.6
192.08315	0.4
195.06511	1.1
198.66000	0.5
209.11687	0.5
243.95294	0.4
310.19403	0.4
321.09653	4.1
339.10690	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	565.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
55.05483	0.8
60.38565	0.2
67.05482	0.4
69.03400	0.6
69.06717	0.3
69.07059	2.1
81.03407	0.5
85.02867	0.9
87.00817	0.3
91.05460	0.7
93.07014	0.9
95.08598	1.4
105.06991	0.9
107.08582	0.4
109.06487	0.3
109.10141	0.6
115.05353	0.2
117.06992	0.4
119.08526	1.1
121.06464	0.9
121.10094	0.6
123.04431	0.6
127.03859	0.4
129.06976	0.7
131.08621	0.3
133.10098	0.5
137.05968	1.6
137.06837	0.3
141.06998	0.5
142.22502	0.3
143.08539	0.3
145.06439	1.1
145.10069	0.7
145.36491	0.2
147.08022	2.4
147.11598	0.3
149.05884	0.3
155.08519	1.1
158.07240	0.6
159.08063	1.9
161.05952	0.6
161.09607	1.6
163.03865	0.5
163.07541	0.7
169.10114	0.6
171.08066	1.1
173.09619	5.4
174.06723	0.4
175.07565	1.7
183.08005	0.9
183.11694	0.6
183.92366	0.2
184.99997	0.3
185.09656	1.3
187.07518	3.9
187.11157	1.5
189.09064	1.9
196.08853	0.4
197.09589	1.1
199.11047	0.3
201.09108	2.9
202.09897	2.4
203.10664	5.9
211.11171	1.0
213.09203	0.4
213.12759	0.4
215.10635	2.4
225.09152	0.4
227.10664	0.6
227.14360	0.4
228.11455	2.2
229.12218	8.3
229.14400	0.5
230.12662	0.3
241.12210	6.3
243.17361	0.6
249.12015	0.3
253.15840	1.0
255.13863	0.6
256.14548	3.5
269.15237	0.4
271.16904	75.4
272.17215	2.8
281.15302	1.4
284.09207	0.6
289.17911	1.5
299.16409	12.9
300.16687	0.6
312.08661	0.9
313.17886	0.3
317.17453	100.0
318.17816	4.5
326.10367	0.4
328.11716	0.3
340.07840	0.3
358.12857	1.1
384.98050	0.3
385.11490	0.5
565.15601	0.9
566.15900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01858	0.6
55.05504	1.2
57.07065	0.3
67.05501	2.1
69.03428	0.7
69.06704	0.5
69.07064	6.0
69.34872	0.7
69.35254	0.8
79.05492	1.7
81.03420	1.2
81.07056	4.2
83.04968	2.8
83.08611	0.4
85.02912	1.5
87.00814	0.8
91.05451	0.9
93.07050	3.3
95.08596	1.9
97.02910	0.4
97.10171	1.6
99.04428	0.5
105.07001	1.7
107.04951	0.4
107.08591	2.2
109.02904	0.3
109.06477	0.3
109.10151	12.0
110.10455	0.3
111.04451	0.8
119.08589	1.0
121.06474	0.8
121.09286	0.5
121.10136	6.9
123.11743	1.5
125.05974	0.5
127.03889	0.8
127.88407	0.3
131.08571	1.2
133.10196	0.4
135.08078	0.7
137.05960	4.4
139.11166	13.1
143.08508	1.0
145.04945	0.3
145.06458	0.7
145.10143	0.9
147.11674	4.1
149.05963	2.2
149.09628	0.4
149.13254	0.7
151.07529	7.1
157.06441	0.4
157.10156	0.8
159.08038	1.2
159.11684	0.4
161.05943	0.7
161.09590	0.5
163.07545	1.2
165.09088	0.4
165.12703	0.6
167.10648	2.5
171.08052	0.8
171.11618	0.5
173.09601	1.2
175.07568	1.3
175.11218	0.5
177.05478	1.4
177.09099	0.6
185.09665	0.9
187.07510	0.7
187.11177	0.4
189.09061	0.9
191.10667	0.5
193.12155	0.4
197.09560	0.4
199.11314	0.6
201.09087	1.9
203.10617	0.5
205.08511	0.3
215.10629	0.7
217.12193	0.7
225.09004	0.3
229.08650	0.4
243.17473	0.3
253.15826	0.7
255.17326	0.7
263.14377	0.3
271.16910	2.5
273.18454	5.5
281.15314	1.3
299.16376	3.2
302.62106	0.4
317.17441	100.0
318.17786	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	565.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64734	0.1
67.05482	0.4
69.03407	0.2
69.07084	0.9
69.16120	1.0
75.02482	0.2
75.22934	0.2
79.05499	0.3
81.03397	0.2
81.07047	1.2
83.08629	0.2
83.18092	0.2
85.02894	0.4
87.00845	0.2
87.34454	0.2
93.07017	0.4
95.08619	0.4
97.02864	0.3
105.07002	0.3
107.08624	0.2
109.02876	0.3
109.10143	0.3
117.07025	0.2
119.08558	0.4
121.06487	0.5
121.10103	0.4
123.11647	0.4
127.03894	0.2
131.08528	0.2
133.10159	0.2
137.06003	1.2
141.06876	0.2
141.36404	0.2
142.07797	0.2
145.06427	0.4
147.08041	0.5
147.11694	0.5
149.05943	0.4
151.07555	0.2
153.34956	0.2
155.08589	0.2
157.10103	0.3
159.08047	0.4
161.09586	0.6
163.07506	0.2
165.05507	0.3
169.10170	0.2
170.10931	0.3
173.09604	1.4
175.07530	0.5
176.08342	0.4
177.05475	0.6
177.09096	0.2
183.07951	0.3
185.09583	0.3
187.07523	3.0
187.11224	0.4
189.09084	1.1
195.06512	0.5
197.09590	0.3
198.10497	0.2
201.09138	1.0
203.10651	7.9
204.11087	0.2
207.06506	0.3
215.10640	2.8
216.11389	0.5
229.12192	0.7
243.17368	0.3
247.09608	0.2
256.14600	0.5
257.15186	0.5
271.16879	2.5
272.17667	4.0
289.18030	0.2
317.17444	100.0
318.17761	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	565.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38364	0.8
54.20087	0.9
55.05510	0.9
56.96285	1.4
56.96562	22.9
67.05497	1.5
70.94154	1.3
71.04983	1.1
79.05476	1.1
81.07056	2.8
83.04993	1.2
83.90208	0.9
84.96013	1.8
91.05470	5.5
93.07030	2.3
95.04971	1.3
95.08610	1.2
98.97546	0.8
105.07014	5.6
107.08607	1.1
115.00690	2.3
115.05457	1.6
116.98638	0.9
117.07008	4.2
119.08577	1.6
124.99126	0.8
126.58575	0.7
127.00648	1.6
128.06206	2.0
129.06999	2.7
130.07800	1.2
131.08549	3.4
133.01762	1.7
133.06479	1.0
133.10135	2.2
139.00703	1.6
141.02174	0.8
142.07867	0.8
143.00172	3.0
143.08574	3.6
145.01756	1.5
145.10060	4.4
147.08051	1.2
155.08601	1.4
155.93678	0.8
157.01711	5.7
157.10204	1.4
159.11601	0.9
161.01241	3.3
165.02234	1.3
167.03860	0.9
173.09662	3.4
175.02780	12.9
177.02190	1.5
179.03951	0.8
183.03296	2.6
187.02744	1.2
191.03792	2.6
193.03824	4.4
193.05341	1.1
195.03259	1.8
197.04839	1.0
201.04248	1.0
205.05313	5.8
207.03253	1.2
209.04872	3.0
211.06380	1.2
217.05382	6.7
221.04826	2.2
223.06438	5.7
225.04362	1.1
229.05354	3.2
231.07011	1.0
233.04910	1.9
235.06378	11.8
237.04324	1.8
241.07471	1.0
245.04710	1.0
245.08478	1.0
247.06392	8.0
249.08008	2.1
251.05872	1.4
253.07484	3.6
257.08539	1.9
261.07971	1.6
263.09552	1.5
265.07489	3.9
269.08560	2.6
275.09503	5.5
279.09125	1.8
287.09515	11.5
293.10574	2.2
305.10614	9.4
312.22363	0.8
323.11508	4.9
329.10522	3.0
365.12729	1.8
387.14627	3.8
405.15811	100.0
406.16235	3.2
423.16901	5.2
446.18613	1.4
505.21060	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
53.17674	3.8
53.19665	4.8
55.05495	14.3
67.05478	7.0
69.03416	17.2
70.39908	8.0
74.55940	4.3
76.39248	4.1
81.03396	15.0
81.07038	9.6
83.08597	5.2
85.02914	24.1
87.00813	13.1
91.05486	6.3
93.07036	6.2
95.04991	6.9
95.08601	11.7
97.02902	5.5
99.04449	6.3
105.07027	8.7
106.41739	4.8
109.02861	11.5
109.10125	5.2
110.01368	4.1
117.07028	5.2
121.10075	7.2
123.04389	5.9
123.11752	4.5
127.03891	19.1
131.04919	7.5
141.05157	6.1
145.06465	6.7
147.04379	5.1
149.05966	12.4
151.03856	5.5
153.05504	6.8
159.02914	7.1
163.03925	8.5
163.07515	20.8
165.09067	19.1
167.07094	4.2
176.32417	4.1
177.05438	4.8
187.07626	5.1
191.10646	42.1
203.10617	5.5
205.12204	76.5
207.06537	4.3
215.10637	6.3
217.12231	6.2
219.13853	6.2
229.12210	12.3
231.13774	17.9
236.49310	4.2
239.14383	4.3
241.10414	67.9
243.13716	11.4
257.15317	14.6
289.05020	5.8
292.57855	4.9
299.16745	9.0
299.20056	100.0
317.21133	55.3
339.12537	5.4
345.92410	4.3
347.14621	29.1
358.12650	9.1
361.09177	5.3
390.78101	4.4
449.51031	4.5
565.26178	22.2
565.37067	11.1
566.15973	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	565.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01867	4.2
55.05504	3.2
57.07096	2.3
64.07679	2.4
65.92451	2.7
67.05499	6.5
69.03432	19.1
69.07059	3.9
70.28293	2.8
71.04993	4.8
81.03410	22.3
81.07043	6.9
83.08607	5.2
85.02900	35.4
87.00821	13.3
93.32961	2.4
95.08608	7.5
97.02888	14.5
99.04440	8.9
101.47167	2.9
105.01848	9.7
107.08540	2.3
109.02888	19.7
115.05467	2.8
117.06976	4.3
127.03909	30.2
131.04895	5.3
145.04958	8.8
145.06509	5.5
145.87122	2.8
149.05925	9.3
157.06358	2.6
159.02890	12.3
163.07571	10.5
165.09074	9.9
177.88264	2.9
187.07594	2.5
189.09184	4.1
191.10637	36.4
197.09738	4.4
199.11171	2.4
199.24527	2.6
201.09006	2.9
203.10614	4.1
205.12234	63.4
215.10674	6.2
217.12338	7.7
229.12222	14.0
231.04951	5.3
231.13831	9.5
243.13766	15.2
256.14560	5.1
257.15366	17.1
297.03232	3.0
299.16782	5.8
299.20050	100.0
309.55273	2.8
317.21118	7.6
347.86761	3.2
364.64175	3.0
377.02365	3.1
398.73730	2.9
405.12903	4.4
415.89941	3.0
479.18430	3.1
521.19684	15.8
565.18573	35.8
565.25623	4.8
566.19611	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	565.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.05504	12.6
57.07074	7.9
59.05011	1.9
64.07034	1.5
65.03923	1.5
67.05494	22.8
69.03420	7.6
69.07065	14.3
69.87792	4.9
77.03924	2.2
79.05479	20.3
81.07047	26.4
83.04969	4.9
83.08608	3.7
85.06528	5.7
91.05467	35.7
93.07031	45.7
95.04950	15.3
95.08591	32.1
97.06512	3.8
103.05456	4.6
105.04514	4.1
105.07021	70.8
105.07734	3.6
107.04922	1.9
107.08585	41.0
109.06508	7.1
109.10143	21.5
111.08078	2.3
111.11736	1.8
111.52875	1.5
115.05453	5.5
116.06226	2.2
117.07009	15.6
119.08564	68.0
121.06514	4.1
121.10132	54.9
123.08064	9.5
123.11709	8.0
125.05988	1.7
125.09587	1.6
128.06227	10.3
129.06990	15.2
130.07780	5.5
131.08556	28.9
133.06464	2.9
133.07672	1.4
133.10115	46.8
133.90340	1.4
135.08075	6.7
135.11668	11.1
137.09634	6.7
141.06985	7.6
142.07744	18.0
142.21078	1.5
143.08543	37.7
143.09613	2.8
144.09319	3.8
145.10106	46.2
147.08031	13.1
147.11679	13.9
149.09625	7.1
151.07545	5.9
153.07013	3.9
154.07764	4.1
155.08548	12.6
156.09315	16.9
157.10107	42.1
158.10907	8.1
159.08049	4.9
159.11665	22.2
161.09656	4.6
161.13264	4.7
163.11177	5.4
165.06975	7.9
165.09123	17.6
166.07771	3.1
167.08575	10.1
167.10663	22.3
168.09372	7.1
169.10103	29.5
170.10904	6.4
171.11661	27.5
172.12389	1.8
173.09604	1.8
173.13235	23.5
175.11238	4.2
175.14755	10.1
179.08543	14.5
180.09302	7.8
181.10107	12.9
181.12230	3.0
182.10915	8.4
183.11655	21.0
184.12425	3.4
185.13242	15.5
187.14792	7.2
189.12769	4.2
191.14352	3.7
192.09375	5.1
193.10135	14.8
193.11995	2.6
194.10890	8.4
195.11676	22.0
195.13564	2.1
196.12494	6.7
197.13226	19.8
198.14076	2.1
199.14761	11.0
201.16388	3.1
203.08710	2.5
203.14261	7.9
205.10095	7.2
206.10860	6.6
207.11703	19.1
207.13791	4.7
208.12448	7.9
209.13235	19.4
210.14043	4.2
211.14789	8.8
213.12766	3.3
213.16327	4.8
215.14386	4.5
216.09322	1.8
217.10100	3.1
217.15852	2.1
218.10944	6.5
219.11617	9.9
220.12502	6.6
221.13245	18.6
221.15390	23.9
222.14006	4.1
223.11163	1.9
223.14743	11.3
224.15607	2.1
225.12744	2.3
225.16338	5.5
227.14247	2.3
229.10187	3.5
230.10951	3.1
231.11697	8.2
232.12384	5.0
233.13423	9.7
233.15390	9.5
234.14177	2.6
235.14734	9.9
236.15585	2.5
237.16249	7.5
239.17976	5.9
243.11687	3.6
244.12463	4.6
245.13210	9.2
246.13997	3.8
247.14731	7.9
248.15602	2.9
249.16437	5.5
251.10155	1.9
251.17975	5.6
253.19478	3.6
257.13269	3.9
258.14029	4.7
259.14838	6.1
260.15527	5.4
261.16284	8.4
263.17880	7.2
265.16782	1.6
265.19440	9.4
269.18848	2.4
270.13843	2.0
271.14813	3.8
272.15601	3.6
273.16071	7.7
274.17065	3.2
275.18002	4.9
277.19479	4.9
279.21109	2.0
281.19022	2.0
282.27942	3.3
283.14731	3.3
283.20547	3.6
285.16043	3.2
287.17850	4.3
289.19632	5.0
297.16290	2.5
299.17618	3.4
300.18643	1.9
301.19321	3.4
303.21274	2.7
307.20645	2.2
310.31085	3.5
315.20901	3.1
317.22568	4.0
331.24228	3.8
339.20877	1.8
341.22458	2.6
343.24225	2.0
348.24667	1.7
357.25751	3.3
385.28976	2.1
387.27063	2.2
425.28357	2.4
465.31644	2.1
473.33948	12.4
491.32776	1.8
547.39362	12.2
565.40302	100.0
566.40533	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	566.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28828	1.1
55.05526	1.1
65.60612	1.1
67.05485	1.4
68.99845	1.1
69.21936	6.5
79.05509	1.5
81.03427	1.7
85.02894	2.1
87.00822	1.2
88.43350	1.0
89.03912	1.9
91.05488	3.3
93.07050	2.1
95.04982	1.9
97.02958	1.2
100.11236	1.7
105.07023	1.9
107.04973	2.1
114.05931	1.1
117.03374	1.5
117.07010	1.2
119.04951	2.3
123.04412	8.3
127.03910	2.4
131.04970	1.2
133.06476	10.9
133.10094	1.7
134.06042	1.8
135.04430	3.0
135.11632	1.2
136.07602	1.7
136.42424	1.1
139.03908	4.4
141.05310	1.9
145.02832	1.9
147.04442	3.2
148.03943	2.3
149.06068	1.1
150.03203	1.5
151.03885	1.8
153.05460	15.6
161.05939	6.9
162.05540	2.7
163.03903	14.8
163.06239	2.6
165.04221	1.4
166.08597	1.5
167.64441	1.1
176.05721	1.4
176.07123	5.1
177.05515	1.9
177.07838	1.6
178.08658	4.4
179.07028	2.3
180.06534	7.5
182.15280	1.6
193.15997	2.2
194.08180	1.8
205.07405	4.1
206.08101	15.3
207.06577	1.2
208.06175	4.0
214.08658	1.9
219.14639	1.1
232.06068	1.3
234.07709	3.7
241.10474	27.1
242.10814	13.5
296.09106	1.4
300.08652	2.1
300.15936	1.6
310.07413	1.4
314.10242	7.4
315.11047	2.4
326.10284	6.3
327.11111	1.3
328.08456	2.4
328.11960	2.8
329.12750	1.7
330.13458	2.1
340.12042	1.4
342.09741	2.7
343.10440	24.0
347.14697	6.9
348.15051	5.4
358.12817	100.0
359.13318	3.4
362.09470	1.4
371.10025	1.7
386.12378	4.8
465.91998	1.2
565.26196	1.7
565.36993	1.9
566.16583	84.8
566.26019	8.6
567.16644	4.4
567.24304	3.2
575.96741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88131	0.6
69.73457	1.2
69.73822	1.5
70.06538	0.8
79.05449	1.3
81.07011	0.8
82.39890	0.6
83.04931	0.9
85.02868	1.4
85.06494	0.7
89.03860	1.1
91.05419	0.7
95.04885	1.4
98.23456	0.7
100.11243	0.8
103.05396	0.7
104.63558	0.6
105.01804	0.9
105.03331	0.7
105.07001	1.1
107.04916	1.5
117.03339	1.4
118.04140	1.0
119.04921	1.2
120.04417	0.6
120.08025	0.6
121.06451	0.8
123.04435	7.0
124.07523	1.2
125.05928	1.2
127.03844	2.0
131.04893	1.0
133.02808	0.9
133.06503	8.7
134.05937	1.9
135.04320	2.9
136.07497	1.0
137.05899	0.9
139.03896	4.7
145.02748	1.1
145.04987	0.7
147.04338	1.5
148.03850	1.8
148.07591	0.7
149.05836	0.7
150.03023	1.8
151.07481	1.1
152.07028	1.5
153.04245	1.4
153.05441	15.8
161.05984	6.3
162.05438	1.9
163.03883	12.3
163.06221	1.8
163.07513	1.1
164.07060	1.0
165.04144	1.2
165.05389	0.8
166.08556	2.9
167.07025	1.0
174.05411	2.0
176.07039	4.5
177.05492	1.0
177.07773	1.6
178.08615	3.8
179.06999	3.7
180.06538	6.8
192.06491	1.3
194.08107	1.3
205.07310	2.5
206.08125	17.8
208.06015	3.6
214.51344	0.7
234.07619	2.1
272.09396	0.9
282.07602	0.9
284.09122	1.0
285.06577	0.8
285.09830	1.0
289.05164	1.0
296.09354	0.7
298.10837	0.9
300.08621	2.7
310.07101	1.3
312.08664	1.1
314.10168	9.2
315.10883	2.8
325.09241	0.7
326.10132	5.5
327.10794	1.3
328.08069	2.5
328.11722	3.0
329.12317	2.0
330.13361	3.5
340.11850	1.7
343.10455	19.7
344.10892	1.0
357.12216	0.7
358.12817	100.0
359.13196	2.8
371.09891	1.9
386.12378	5.6
404.13303	1.9
448.80325	0.8
463.30783	0.6
534.18658	0.9
548.25940	1.2
566.16559	83.2
567.16669	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	566.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28828	1.1
55.05526	1.1
65.60612	1.1
67.05485	1.4
68.99845	1.1
69.21936	6.5
79.05509	1.5
81.03427	1.7
85.02894	2.1
87.00822	1.2
88.43350	1.0
89.03912	1.9
91.05488	3.3
93.07050	2.1
95.04982	1.9
97.02958	1.2
100.11236	1.7
105.07023	1.9
107.04973	2.1
114.05931	1.1
117.03374	1.5
117.07010	1.2
119.04951	2.3
123.04412	8.3
127.03910	2.4
131.04970	1.2
133.06476	10.9
133.10094	1.7
134.06042	1.8
135.04430	3.0
135.11632	1.2
136.07602	1.7
136.42424	1.1
139.03908	4.4
141.05310	1.9
145.02832	1.9
147.04442	3.2
148.03943	2.3
149.06068	1.1
150.03203	1.5
151.03885	1.8
153.05460	15.6
161.05939	6.9
162.05540	2.7
163.03903	14.8
163.06239	2.6
165.04221	1.4
166.08597	1.5
167.64441	1.1
176.05721	1.4
176.07123	5.1
177.05515	1.9
177.07838	1.6
178.08658	4.4
179.07028	2.3
180.06534	7.5
182.15280	1.6
193.15997	2.2
194.08180	1.8
205.07405	4.1
206.08101	15.3
207.06577	1.2
208.06175	4.0
214.08658	1.9
219.14639	1.1
232.06068	1.3
234.07709	3.7
241.10474	27.1
242.10814	13.5
296.09106	1.4
300.08652	2.1
300.15936	1.6
310.07413	1.4
314.10242	7.4
315.11047	2.4
326.10284	6.3
327.11111	1.3
328.08456	2.4
328.11960	2.8
329.12750	1.7
330.13458	2.1
340.12042	1.4
342.09741	2.7
343.10440	24.0
347.14697	6.9
348.15051	5.4
358.12817	100.0
359.13318	3.4
362.09470	1.4
371.10025	1.7
386.12378	4.8
465.91998	1.2
565.26196	1.7
565.36993	1.9
566.16583	84.8
566.26019	8.6
567.16644	4.4
567.24304	3.2
575.96741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.05507	44.8
57.03435	4.8
67.05497	5.1
79.05486	11.9
81.07065	8.9
83.04974	87.5
85.06566	5.4
91.05484	36.6
93.07037	11.8
95.04985	22.6
103.05487	6.8
105.01810	4.9
105.07020	54.6
106.16048	4.6
107.08592	7.6
115.05454	8.6
117.06998	52.1
119.08591	20.8
121.06509	8.1
128.06218	17.1
129.06999	46.2
130.07811	8.1
131.08560	58.5
133.10141	13.5
135.08083	5.9
141.06989	9.6
142.07788	12.8
143.08542	47.6
145.06517	7.8
145.10110	64.4
147.07999	4.0
149.09610	9.1
149.52573	4.0
153.07014	6.6
154.07843	6.4
155.06024	4.5
155.08571	33.9
156.09381	5.6
157.10138	23.0
158.07202	6.2
159.11642	8.5
161.09583	8.3
165.07051	5.0
169.10153	5.7
171.11668	21.4
173.09595	100.0
174.09943	4.8
175.11195	15.1
185.13211	27.2
187.11241	6.0
189.12724	8.0
195.11697	13.4
203.14320	13.7
213.12740	38.9
231.13821	55.2
273.14893	7.0
283.13181	4.8
546.45825	4.8
566.21429	20.6
589.02563	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	566.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.05508	49.4
56.05844	4.9
56.41874	3.7
57.03410	4.0
60.87105	3.8
67.05489	7.7
67.63570	3.7
69.35113	5.4
69.35382	22.2
71.04977	5.4
79.05486	14.8
81.07047	28.0
82.07398	6.9
83.04973	99.0
84.05325	6.0
85.06549	3.8
91.05470	44.8
93.07024	17.5
95.04954	31.0
95.08614	9.8
103.41640	3.8
105.07019	95.0
106.07378	6.9
107.08570	11.9
107.71675	4.3
109.06528	6.3
115.05448	13.1
117.07005	52.7
119.08559	31.8
121.06503	7.7
123.08054	5.1
128.06204	26.5
129.07007	46.7
130.07768	12.5
131.08563	59.5
133.06525	8.1
133.10107	22.9
142.07774	11.3
143.08545	57.0
144.08871	10.3
145.06454	11.8
145.10112	95.5
146.10463	19.5
147.08049	13.4
147.11687	7.1
149.09621	11.7
154.07707	5.5
155.08575	28.3
156.09303	5.6
157.10101	31.6
158.10420	5.8
159.11682	13.8
161.09570	22.3
161.13191	5.9
162.10023	4.7
163.11244	5.7
165.06958	7.7
169.10110	10.9
171.08034	6.3
171.11671	18.9
173.08160	7.6
173.09616	100.0
174.09958	16.3
175.11240	7.7
180.09303	6.1
183.11760	8.4
185.09497	4.5
185.13254	37.1
186.13559	5.8
187.11142	7.1
191.10667	12.7
195.11694	14.6
196.12090	7.8
197.16534	3.8
203.14282	13.8
205.91612	4.6
213.12762	54.3
214.13129	9.6
231.13780	81.4
232.14081	25.6
237.63869	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	566.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
55.01863	1.8
55.05511	9.0
58.19823	1.3
61.02918	2.4
65.03925	2.3
67.05502	9.3
69.03425	2.0
69.07066	5.2
69.24695	1.4
71.04989	6.5
74.09711	25.4
77.03945	1.3
79.05494	19.0
81.07047	24.3
83.04981	9.0
85.06541	4.6
91.05471	30.8
93.07042	25.2
94.06557	4.0
95.04951	18.2
95.08588	12.9
96.97351	1.4
97.06522	6.3
98.23441	6.0
99.04437	17.3
103.05465	2.1
105.04546	2.0
105.07019	100.0
107.07847	1.9
107.08580	31.3
108.28718	1.4
109.06521	11.2
109.10165	4.9
111.08115	2.3
113.06004	2.9
115.05403	2.6
116.06277	1.9
117.07007	13.3
119.06071	1.8
119.08568	45.8
121.06486	7.5
121.10149	23.0
123.08077	8.0
123.11735	3.1
124.27479	1.4
128.06155	3.3
129.06996	9.1
130.07759	5.7
131.08553	46.3
133.06512	4.2
133.10107	32.1
133.25603	1.4
135.08029	11.8
135.11690	5.4
136.11188	1.4
137.09618	2.6
139.11182	6.2
141.06969	4.6
141.37679	1.3
142.07762	29.9
142.38281	1.4
143.08533	6.4
145.10118	39.4
147.08060	2.3
147.11668	46.6
149.09663	6.9
151.11212	1.5
155.08583	5.7
157.10121	58.8
158.10872	2.1
159.08073	4.4
159.11679	13.1
160.08929	1.8
161.09634	2.1
161.13231	3.0
163.11159	7.5
165.09142	1.9
165.12837	1.9
167.08540	4.3
169.10126	3.0
171.11731	4.0
172.12428	1.4
173.09633	6.6
173.13332	8.0
175.11171	57.9
177.12767	2.0
182.10919	7.6
187.14798	12.5
191.10764	2.4
191.14354	4.1
193.12141	2.3
197.13203	10.1
199.09608	2.6
199.61316	1.4
205.15851	4.3
211.54236	1.6
215.14310	19.1
232.17160	2.3
233.15340	8.7
251.16415	4.3
559.59644	1.8
566.43756	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.05506	23.4
61.33382	2.7
67.05508	19.8
69.03426	9.3
69.07075	6.7
69.77594	8.8
71.04979	6.3
76.97990	2.8
77.57111	3.1
79.05503	20.7
81.07050	30.9
83.04982	23.6
83.08618	4.5
84.35195	2.8
85.06535	9.8
91.05473	30.7
93.07034	30.8
95.04352	4.7
95.04961	74.1
95.08595	27.8
97.02894	5.0
97.06517	8.4
99.04436	14.4
105.07021	100.0
107.08575	34.7
109.06499	16.3
109.10144	12.4
111.04396	2.9
111.08058	4.3
115.05446	4.9
117.07007	18.3
119.08569	55.6
121.06476	10.7
121.09346	2.6
121.10110	15.5
123.08050	9.5
125.06005	6.5
128.06203	4.2
129.06981	11.9
130.07794	5.2
131.08557	40.8
133.06444	6.4
133.10117	28.2
135.08025	12.9
135.11655	6.2
137.09608	7.7
142.07727	25.8
143.08572	12.1
144.09308	6.5
145.06477	3.4
145.10126	47.7
147.08051	9.3
147.11668	62.2
149.09633	11.4
149.13245	4.3
155.08510	4.5
156.09396	6.3
157.10118	50.2
158.10860	4.5
159.08063	7.8
159.11664	36.7
160.08818	3.5
161.09589	23.5
161.13249	10.2
163.11148	6.6
166.56264	2.6
169.10126	4.1
171.11687	5.8
173.09644	11.4
173.13269	11.9
175.09645	5.8
175.11169	92.0
175.14629	3.2
177.09140	4.5
177.12778	5.5
177.16391	6.6
182.10947	4.0
187.14809	31.8
189.12738	64.6
191.14261	3.9
193.12250	32.1
197.13257	16.2
203.14410	3.6
205.15866	7.8
215.14307	44.4
231.13788	5.1
233.15332	45.7
251.16438	7.0
264.34906	2.9
353.60992	2.8
416.89145	3.1
490.09909	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	567.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23846	6.6
60.85896	6.3
65.03949	11.0
68.99783	20.7
71.54675	7.0
79.05483	9.1
80.42408	6.6
81.03389	9.3
83.36629	7.0
89.03901	12.4
89.23316	6.1
91.05477	10.0
95.04945	8.4
105.07108	7.4
107.04952	16.0
110.91466	6.4
111.04460	16.9
112.90571	6.9
121.02877	40.4
123.04425	18.7
135.04434	21.8
137.02332	21.2
137.05978	15.1
139.03941	8.8
145.02805	9.5
147.04341	9.8
149.02376	36.8
149.30719	6.3
150.03156	6.5
153.05380	10.6
161.37622	7.4
163.03889	77.8
165.05504	7.8
169.04936	24.4
177.01808	48.7
178.02573	7.7
181.04967	18.6
183.06589	13.6
189.01756	7.0
189.05470	9.6
193.04929	17.5
209.04428	66.7
211.06076	14.0
221.05928	16.9
228.07901	6.8
237.05405	10.0
249.05447	24.6
265.04852	8.0
267.06384	13.8
269.04352	14.1
277.04913	16.4
293.04208	13.9
295.06006	42.1
311.05490	9.7
319.19073	100.0
321.03925	19.6
323.05569	12.4
325.08353	10.8
341.06387	15.6
353.08212	16.3
369.07571	16.2
371.09140	23.4
381.07651	21.3
387.08246	15.0
397.06802	13.8
399.08597	83.5
401.10095	16.1
415.08353	8.3
427.07986	9.2
443.07535	20.2
445.09128	25.0
461.08521	41.8
462.09094	9.3
475.10397	17.7
489.08350	32.8
505.64929	8.4
521.10718	66.4
522.10779	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	567.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11848	3.7
53.03938	7.6
55.01866	6.9
56.56409	2.5
60.18915	2.5
63.00006	2.4
65.03944	3.1
67.01870	7.7
68.99776	13.5
69.03433	25.8
69.06683	16.5
71.04981	4.4
71.87106	2.9
78.05674	2.5
81.03413	43.0
85.02898	41.2
87.00833	6.1
93.03351	3.6
95.04957	4.1
97.02884	42.0
98.29991	2.6
99.04456	15.7
107.04947	3.9
109.02877	32.5
111.04408	4.5
120.69913	2.3
121.02841	10.4
123.04421	28.6
127.03902	67.4
129.01807	3.1
131.04906	3.6
133.02843	20.7
135.04424	9.2
137.02339	78.2
137.03371	3.9
137.05977	5.0
139.03882	71.9
145.04974	3.5
145.06487	4.8
147.04381	7.6
149.02351	22.0
151.03893	17.8
153.07033	3.0
159.04375	3.0
163.03885	57.2
165.05447	12.7
167.03430	15.3
173.02315	3.0
173.06047	4.7
175.03929	3.8
177.01807	9.3
177.05478	3.1
181.04851	3.1
181.06480	4.9
187.03883	8.7
187.05914	6.7
189.05403	6.8
191.03394	16.3
193.04947	57.8
201.05431	14.6
203.06923	4.1
205.04951	10.3
207.06554	3.5
209.04407	11.2
209.06107	3.3
213.05452	10.8
229.04959	34.5
231.06618	23.0
235.06020	5.6
247.05920	7.0
255.06508	24.6
257.04453	12.8
258.04919	3.3
259.06003	7.0
271.06213	4.8
277.07056	100.0
279.06277	3.1
283.05942	8.0
297.07495	4.8
301.07040	61.3
317.06586	6.2
321.07623	5.9
325.07068	9.1
339.08554	16.4
343.08054	11.1
349.07040	9.1
367.08081	65.3
385.09116	21.9
471.09210	9.6
567.19702	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	567.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42522	0.3
55.05504	0.9
66.76360	0.3
67.05495	1.0
69.03400	0.3
69.07053	0.5
70.92534	0.4
79.05476	0.6
81.03439	0.5
81.07050	1.5
83.08604	0.9
85.02880	0.8
89.03919	0.4
91.05479	1.1
93.07031	1.1
95.04933	0.4
95.08621	1.5
97.02852	0.3
97.06547	0.3
98.09659	0.4
100.11265	1.6
105.07007	1.3
107.04955	0.4
107.08572	0.6
109.02823	0.4
109.10147	0.4
117.07017	0.3
119.08544	0.9
121.06486	1.3
121.10144	0.6
123.08102	0.4
127.03880	0.4
128.07079	0.3
128.10683	0.5
129.06963	0.4
131.08533	0.6
133.10176	0.4
135.04372	0.4
135.08023	0.5
137.05962	2.5
142.12296	0.6
143.08533	0.4
145.02812	0.3
145.06381	1.1
147.08073	1.6
147.11702	0.7
149.05945	1.0
149.09648	0.3
151.07506	1.2
155.08537	0.3
157.10184	0.4
159.08052	1.6
159.11682	0.4
161.05962	0.5
161.09572	0.5
163.03845	1.0
163.07550	1.2
168.13760	0.4
169.10114	0.8
171.08041	1.1
171.11624	0.3
173.09605	1.0
173.13290	0.3
174.10384	1.2
175.07568	1.1
175.11127	0.4
177.09122	2.8
181.04930	0.5
182.15453	0.6
183.08092	0.4
185.09642	0.6
185.13397	0.4
187.07463	1.4
187.11172	0.3
189.09105	1.5
197.09570	0.4
199.11252	0.4
201.09088	0.7
202.09883	1.2
203.10703	1.6
210.14777	0.9
213.09029	0.3
213.12616	0.4
215.10658	1.1
225.16289	0.4
227.10730	0.5
228.15884	0.3
241.12094	0.6
242.12991	2.1
253.15828	0.4
270.16223	0.6
271.16882	2.5
283.17084	0.5
288.17279	1.5
289.17960	36.9
290.18326	0.8
299.66397	0.3
301.17932	1.7
319.19006	100.0
320.19336	2.6
405.08044	0.4
452.31235	0.5
566.42584	1.3
567.42755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52020	0.3
55.01888	0.8
55.05533	1.1
62.89917	0.2
65.52404	0.2
67.05529	0.8
69.03455	1.0
69.07059	3.7
79.05516	0.8
81.03444	0.6
81.07063	1.6
82.25439	0.2
83.05006	0.9
83.08640	1.1
85.02933	0.6
87.00822	0.4
89.03899	0.3
91.05501	0.9
93.07030	1.5
95.08602	2.0
96.04553	0.3
105.01920	0.3
105.07026	1.4
107.04971	0.3
107.08572	1.5
109.02888	0.4
109.06558	0.4
109.10115	1.3
111.08115	0.5
119.08611	0.7
120.38742	0.3
121.06531	0.5
121.10143	1.4
123.08064	0.4
123.11739	0.8
127.03899	0.3
128.06242	0.3
129.07048	0.4
131.08569	0.4
133.06532	0.4
133.10181	0.9
135.04433	0.4
135.08035	4.5
137.05954	1.5
138.57578	0.3
139.11156	3.2
143.08565	1.1
145.06082	0.5
145.10146	0.4
146.31389	0.3
147.08066	1.6
147.11722	0.5
149.05952	0.5
149.09669	0.5
151.07527	6.9
151.11205	0.5
157.06458	0.4
157.10178	0.5
159.08087	1.0
161.06024	0.4
161.09558	1.4
163.03906	2.2
163.05095	0.3
163.07523	4.2
163.11218	1.0
167.10696	0.4
169.10289	0.4
169.12202	0.6
169.77646	0.3
171.08046	1.4
171.11742	0.3
173.05988	0.3
173.09639	0.9
174.06812	0.4
175.07523	5.6
175.08897	0.4
177.09126	0.9
185.09607	0.5
187.04057	0.3
187.07591	1.1
189.09148	1.8
190.09831	0.4
191.06961	0.5
191.10661	0.5
199.07559	0.8
199.11234	0.4
205.08745	0.3
210.14911	0.3
213.09123	0.3
215.10768	0.3
227.14249	0.4
229.15527	0.3
233.11794	0.4
255.17589	0.5
259.16852	0.4
267.06613	0.3
271.16934	0.5
273.18332	1.7
283.16937	1.2
289.17969	1.2
295.05859	1.1
296.06403	0.4
301.17953	38.2
302.18298	1.1
319.18997	100.0
320.19315	3.1
322.04318	0.3
326.07501	0.4
339.12241	0.5
354.06876	0.3
481.24112	0.3
567.23651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30006	1.0
53.55706	1.1
59.86896	1.0
67.05496	1.3
71.15885	1.0
80.64030	1.1
91.05441	1.0
170.63339	1.1
203.05122	1.0
309.43451	1.2
331.09875	4.2
339.47635	1.3
413.17761	1.6
469.20258	6.4
482.35553	1.1
518.12512	1.2
549.26611	24.9
567.05219	2.3
567.27557	100.0
568.28094	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	567.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
53.56339	1.0
55.01880	1.0
55.05505	19.9
57.03433	3.7
58.28551	1.1
67.05499	3.4
69.03439	1.8
69.07066	1.9
69.20414	6.1
71.04987	1.3
71.20042	0.9
73.06548	2.5
79.05474	6.9
81.07050	16.5
82.67381	1.0
83.04971	33.4
87.04503	1.2
91.05471	19.8
93.07041	12.2
95.04970	8.6
95.08611	4.9
97.06552	2.9
101.06017	4.3
103.05470	1.3
105.07021	31.4
107.04951	2.9
107.08579	10.1
109.06509	4.2
115.05457	4.5
117.07009	11.9
119.08558	11.3
121.06493	4.2
121.10153	2.9
123.08043	1.9
125.06033	1.0
128.06210	10.6
129.06998	15.3
130.07782	5.4
131.04953	1.9
131.08557	24.8
133.06464	2.8
133.10107	9.8
135.08078	3.5
137.06015	1.3
141.06999	4.9
142.07784	9.2
143.08545	58.3
144.09290	2.2
145.06493	5.0
145.10112	60.3
147.08018	6.0
147.11671	4.7
149.09604	10.5
151.07550	2.9
153.07010	3.7
155.08530	21.5
156.09390	6.4
157.10110	29.5
159.08054	4.9
159.11678	10.9
161.09605	26.8
161.13257	4.6
163.11224	5.7
165.06947	5.7
167.08546	2.6
168.09326	1.4
169.10120	4.4
170.10884	4.7
171.08034	5.7
171.11694	8.0
173.09612	34.0
173.13266	3.3
175.11180	4.1
175.14809	3.4
179.08623	1.7
180.09311	7.1
183.10268	2.1
183.11713	5.8
185.09711	1.7
185.13249	30.8
187.11211	4.7
189.12801	4.4
191.10657	6.4
195.11699	17.9
198.10434	2.2
201.12723	11.2
203.14294	14.9
213.12729	48.0
214.13138	1.1
219.13773	3.6
221.15341	1.9
231.13777	100.0
232.14226	2.1
249.14859	14.1
305.17545	2.3
323.18491	19.9
349.19894	2.5
367.21100	17.2
567.27301	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	568.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	5.4
52.57698	2.6
53.03934	3.3
55.01867	5.2
59.67562	2.7
60.14297	3.1
65.03934	11.1
67.05491	13.3
68.99774	11.0
71.43172	5.2
77.03921	7.9
79.05484	12.5
81.03398	10.8
89.03902	6.7
90.46407	2.8
91.05463	5.0
93.03401	6.8
95.04955	36.1
102.19789	3.2
105.03365	24.5
107.01302	9.1
107.04942	35.8
109.02866	9.6
111.04434	16.7
119.04945	4.5
121.02847	11.0
123.04424	37.9
127.03883	4.0
131.04915	8.6
133.02843	92.3
134.03571	5.3
135.04396	17.9
137.02330	51.0
137.03345	6.8
139.03859	14.8
141.06963	7.0
145.02837	5.1
147.04395	7.2
149.02327	25.0
151.02774	5.5
151.03893	47.8
152.06187	11.9
153.06946	10.0
157.06458	3.3
159.04387	6.0
161.02324	10.7
163.03955	19.7
164.06262	3.5
165.07042	15.2
169.06479	6.3
173.02361	3.9
175.03867	10.4
177.01764	5.8
179.03383	100.0
179.04855	6.5
180.05664	2.9
181.05025	5.8
181.06464	30.9
187.03905	32.8
189.01860	3.8
191.03297	10.4
191.04933	7.5
193.06482	8.1
195.02879	8.4
195.04482	3.4
197.05980	17.8
201.02031	3.8
203.03357	12.8
205.04846	3.8
207.04442	12.2
207.38463	3.3
208.05063	3.6
209.04353	3.8
209.05992	31.7
210.06793	3.4
213.01955	4.3
213.05418	7.0
219.04556	4.3
220.05128	5.3
221.05934	19.5
223.03903	4.4
225.05440	25.3
231.02861	24.3
235.03899	10.9
236.04715	7.9
237.05447	52.6
239.03427	4.5
239.06969	9.5
241.05019	4.3
248.04671	3.9
249.05492	12.6
251.03291	4.7
253.04929	27.4
255.06483	11.5
263.03485	8.2
264.04120	3.9
265.04938	70.5
265.07581	5.9
266.05548	8.7
267.06482	8.2
269.04428	5.9
271.05835	3.7
275.03210	4.6
275.52032	2.9
277.04910	3.9
281.04413	46.5
282.05087	10.1
283.05911	31.8
291.02835	9.6
293.04410	38.9
294.05203	7.3
295.06012	14.6
299.05560	5.4
309.03897	45.1
310.04767	5.1
311.05417	54.4
315.06485	3.3
319.19061	9.9
320.19348	6.1
321.03860	4.2
327.04996	16.9
337.03400	33.4
339.04926	18.7
355.04337	8.7
369.07132	3.8
385.07092	5.9
387.08231	4.8
391.69281	3.1
431.07605	5.1
433.08939	3.4
459.06970	4.2
477.07932	8.7
507.26050	8.9
508.26413	4.0
533.06360	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91697	1.3
52.27306	1.4
54.62381	1.3
57.29153	1.3
57.77433	1.5
64.72321	1.3
68.74986	1.3
70.54726	3.1
70.57504	1.2
79.05505	2.6
81.33067	1.2
83.24126	1.2
89.03893	11.8
90.31068	1.3
91.05479	3.7
95.04974	4.1
105.03340	1.6
107.04957	4.4
109.06532	2.0
109.74940	1.4
115.06723	1.2
117.03363	13.6
117.05751	1.5
119.04951	1.6
120.04452	4.8
123.04399	6.1
124.07590	10.4
132.04460	2.3
133.02881	4.5
133.05225	4.4
134.05983	3.1
135.03314	2.7
135.04407	24.0
135.06737	6.4
136.07588	5.1
139.03864	1.6
139.79485	1.3
145.02852	16.5
145.06116	1.3
146.05960	2.6
147.04393	1.9
148.03931	22.0
149.04681	2.3
150.05486	2.7
151.03926	3.3
152.07077	6.0
153.04152	1.4
153.05412	3.0
159.03191	2.9
160.03947	3.0
161.04695	3.0
162.05501	6.0
163.03896	96.9
163.06247	5.8
164.04237	2.7
164.07048	15.3
165.18890	1.3
167.03358	8.1
174.05518	5.7
176.03465	1.7
176.07027	8.6
178.04999	10.9
180.06551	10.1
182.57570	1.3
187.02675	2.3
190.05197	1.3
191.05672	2.3
192.06546	46.3
192.08252	2.3
200.36430	1.2
202.04970	11.5
204.06596	1.8
206.04480	7.7
208.06052	11.0
220.06036	51.7
230.04555	1.9
232.06139	1.5
238.07031	3.1
248.05559	5.7
254.08022	1.8
266.06680	3.8
269.06940	1.9
270.07666	2.3
271.08456	2.2
282.07608	3.5
284.05728	3.1
284.09128	2.9
285.10004	1.9
286.10797	1.6
294.07678	3.7
298.07104	5.3
299.07782	11.8
300.08521	4.2
310.07001	2.5
314.10156	27.1
315.10553	1.5
316.08264	3.8
320.19394	2.1
324.08713	3.0
327.07297	2.3
332.11295	2.9
342.09692	21.2
359.10123	1.7
360.10754	64.1
370.09232	8.5
388.10165	15.5
406.11264	23.0
550.13409	45.7
551.13684	2.9
568.14478	100.0
569.14655	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	568.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03943	3.5
57.03426	0.9
64.43909	0.3
69.03424	6.3
69.12434	1.3
69.12845	0.7
71.04985	1.0
77.03927	1.3
79.05480	4.5
81.03410	14.7
85.02895	7.8
86.09713	0.3
89.03850	0.4
95.04960	7.3
97.02883	10.6
99.04430	2.2
105.03383	100.0
105.04521	3.2
106.03716	1.5
108.04462	0.6
109.02871	10.3
120.35086	0.3
121.02850	0.7
121.06483	0.3
123.04414	10.6
124.04776	0.3
126.05476	0.7
127.03909	10.8
135.04410	1.0
144.06572	1.0
145.04945	4.1
156.06544	0.5
162.07561	0.5
163.03879	4.0
164.04301	0.7
165.05563	0.4
192.06583	0.5
195.06573	0.5
201.05594	0.4
203.10661	0.4
207.06564	0.3
220.06061	1.1
231.06458	1.2
249.07556	36.5
250.07912	0.7
267.08606	27.5
268.08981	0.6
299.07761	0.4
301.17703	0.5
302.18375	0.6
319.18915	3.4
320.19363	5.1
342.09775	0.4
360.10684	1.0
446.22638	0.3
447.90961	0.4
550.13354	1.0
568.14435	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	568.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19420	0.2
51.76201	0.2
55.01855	0.3
59.72596	0.3
63.92661	0.2
65.03925	0.2
69.03417	0.6
70.06585	0.3
75.76836	0.2
79.05492	1.7
81.03414	1.0
81.07062	0.3
84.08134	0.5
85.02901	0.8
87.00797	0.3
91.05466	0.9
93.07005	0.3
95.04963	0.7
97.02882	0.4
98.22714	0.7
99.04430	0.2
106.06547	100.0
107.06866	1.7
109.02890	0.4
109.06532	0.4
111.04451	0.3
117.03355	0.5
118.06551	0.9
119.04964	0.4
123.04433	1.6
127.03886	0.6
129.10530	0.2
133.05185	0.2
135.04424	0.6
137.05974	5.6
139.03827	0.3
145.02888	0.3
147.04353	1.9
148.07594	0.7
153.05421	0.3
163.03943	1.7
167.07280	0.3
170.04820	0.2
181.04965	0.3
184.07318	0.7
192.08064	2.6
193.08629	0.2
197.08075	1.2
205.37695	0.2
210.06741	0.2
210.09158	0.7
220.07542	2.4
226.06021	0.2
226.08543	0.3
236.07011	0.2
238.08606	9.0
239.08990	0.4
256.09769	0.9
270.11176	1.3
298.10809	0.3
354.12082	0.3
372.12753	1.7
535.87598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
55.99055	0.2
60.67645	0.2
65.03937	0.3
67.05502	0.2
69.03416	0.8
69.23657	0.6
69.24056	0.3
70.06585	0.3
77.03909	0.2
79.05484	1.5
81.03411	0.8
81.07054	0.4
85.02895	0.8
87.00832	0.5
89.03941	0.3
91.05486	0.8
93.03402	0.2
95.04937	0.5
96.04469	0.2
97.02861	0.5
99.04467	0.2
104.10747	0.2
105.01949	0.2
105.04534	0.2
105.07017	0.3
106.06547	100.0
107.04968	0.4
107.06876	1.7
109.02880	0.6
109.06573	0.3
111.04440	0.7
116.07203	0.2
117.03394	0.2
118.06544	0.9
119.04913	0.3
121.06489	0.2
123.04433	1.4
124.07611	0.4
127.03877	0.7
128.07109	0.2
128.69981	0.2
130.06516	0.2
133.05243	0.2
133.10106	0.3
135.04422	0.8
137.05972	5.6
139.03893	0.8
145.02846	0.4
147.04361	0.4
148.07555	0.4
153.05470	0.4
163.03899	4.5
165.06950	0.2
167.07092	0.8
170.30304	0.2
175.07585	0.4
181.04990	0.7
182.09639	0.3
191.07248	0.3
192.08061	2.6
193.08566	0.3
197.08099	1.0
210.06897	0.2
210.09097	0.4
220.07544	2.7
222.09160	0.3
226.08542	0.3
236.06963	0.4
238.08611	9.7
239.08942	0.2
250.08670	0.3
256.09631	0.7
270.11234	1.3
280.09650	0.3
288.12122	0.3
309.15976	0.2
347.47763	0.2
372.12891	2.0
504.15137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68915	1.1
53.03958	1.3
55.01864	2.0
61.02924	1.5
61.05352	1.2
67.05524	1.3
69.03423	2.6
70.06573	6.9
79.05489	3.0
81.03409	7.3
81.07050	1.8
85.02889	11.6
86.09687	2.1
91.05466	4.9
94.04201	2.3
95.04974	3.6
97.02885	5.0
97.33009	1.4
103.05463	2.5
104.10767	1.6
105.07014	2.7
107.04940	10.1
107.08529	2.0
109.06494	2.4
111.04472	2.4
115.05432	11.0
117.07023	12.7
118.69260	1.2
119.04911	2.5
119.08520	1.5
122.03660	4.7
122.93550	1.3
123.04418	2.7
124.05243	2.1
125.05968	1.5
127.03908	2.9
128.06223	2.4
128.67357	1.2
129.06990	9.6
131.04927	4.9
131.08562	4.1
133.06424	1.5
135.04361	1.5
135.11606	1.3
137.05965	93.7
141.06947	2.1
143.04927	10.2
144.05693	4.6
145.05022	2.7
145.06464	25.0
147.04443	3.3
147.08099	1.4
151.03879	2.6
153.05505	3.5
155.06032	5.4
156.05690	5.6
157.06490	7.6
157.26082	1.4
159.08046	6.5
160.03972	2.3
160.05173	15.1
161.06006	6.1
163.03914	7.2
163.07564	2.0
167.07024	36.9
169.06421	2.0
172.05203	4.6
173.05971	47.2
174.06680	2.5
175.07532	100.0
177.05487	4.7
184.05124	1.2
184.07442	1.9
185.05910	1.8
186.06618	1.5
187.07526	40.7
188.08047	2.1
189.09093	8.2
190.06215	18.1
190.07744	1.4
191.07042	2.1
193.08542	3.1
202.06242	3.7
203.07054	4.8
205.08586	86.2
207.06519	4.7
211.07474	1.7
215.08644	2.1
217.08577	45.2
219.10126	2.7
221.09698	1.4
226.06226	1.5
233.09628	2.3
235.07391	3.4
235.09625	38.6
241.08611	6.9
247.09541	11.0
249.09090	4.1
260.08344	1.6
261.09042	7.4
263.06940	1.9
265.10693	26.9
269.08069	1.9
271.05820	1.5
271.67160	1.3
277.08514	5.5
278.09387	3.8
281.11703	1.5
285.07578	5.9
286.17657	1.9
289.08655	3.7
291.10263	1.7
293.08316	1.4
293.11746	4.2
294.08804	1.7
295.09570	2.2
300.09964	8.9
301.10736	8.7
306.09073	2.5
311.08954	2.1
313.10696	2.3
321.11136	6.8
323.09045	2.0
326.11414	2.4
338.11600	1.9
341.13678	7.9
353.13794	19.5
371.14856	34.3
538.54004	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98821	1.7
55.01844	1.5
57.03447	2.3
61.02932	3.7
69.03420	5.9
69.58928	7.0
78.03860	1.9
79.05489	3.6
81.03403	8.3
81.36404	1.8
85.02904	15.7
86.09696	1.8
87.58825	2.0
89.03937	2.4
91.05478	5.0
94.04169	2.0
95.04972	4.1
97.02863	5.0
103.05456	4.3
105.06993	3.2
107.04957	8.2
109.02833	2.4
114.89063	1.9
115.05441	10.0
117.03397	2.1
117.07020	11.2
120.08068	2.1
122.03655	4.8
123.04413	2.5
125.05964	2.1
126.79567	1.7
127.03939	3.5
128.06226	2.1
129.06981	6.9
131.04913	6.3
131.08502	2.7
135.04413	4.7
137.05966	72.6
143.04904	7.4
144.05678	3.4
145.05084	3.7
145.06479	22.0
147.08032	1.9
151.03923	4.7
155.06009	4.4
156.05688	4.2
157.06473	5.3
159.08083	3.6
160.05200	13.8
161.05968	5.5
163.03914	10.6
167.07021	33.5
167.08330	2.9
172.05148	3.9
173.05972	43.9
174.06686	2.7
175.07541	100.0
176.07965	2.2
177.05417	3.2
180.08636	3.3
181.04842	2.0
187.07542	34.8
187.09207	1.8
189.09137	7.3
190.06233	18.5
191.07030	4.3
193.08597	6.7
202.06180	2.0
203.07019	6.6
205.08588	70.3
217.08568	29.9
219.10069	3.1
233.09737	2.9
235.07339	2.8
235.09651	36.2
241.08563	2.7
247.07417	2.0
247.09531	3.3
249.08992	3.3
261.09216	4.3
263.06882	2.2
265.10712	19.0
277.08563	3.6
278.09296	3.4
281.11768	2.4
285.07449	2.9
293.11694	4.9
300.09906	6.4
301.10687	4.4
309.11218	4.7
321.11285	5.3
341.13760	7.3
353.13895	11.9
371.14828	18.2
504.04077	1.8
507.22165	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.6
51.02382	0.8
52.38551	0.5
53.03947	3.6
57.03437	0.8
69.03425	5.8
71.42456	0.6
73.24655	0.5
77.03923	0.9
79.05499	3.6
81.03416	13.7
85.02901	8.7
89.03930	0.8
95.04975	6.0
97.02894	9.2
99.04452	2.3
105.03388	100.0
105.04525	3.1
106.03710	1.1
109.02880	10.1
114.91126	0.5
117.03395	0.8
121.02887	0.9
123.04434	12.3
127.03912	10.0
135.04393	1.1
139.03905	0.6
145.02895	0.8
145.04955	4.1
146.03160	0.7
163.03893	7.9
164.04236	2.6
195.06477	0.6
209.25276	0.7
220.81473	0.6
222.93881	0.5
231.06541	1.6
249.07570	32.2
267.08621	34.2
268.09125	0.7
360.10687	1.1
394.56058	0.5
406.11145	0.5
550.13306	0.6
568.14313	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51628	4.2
53.03948	5.1
55.01840	4.9
55.05487	5.0
55.16879	4.0
56.76075	3.8
68.99770	6.9
69.03419	19.1
69.11926	31.8
69.25006	3.9
73.02890	5.7
77.97903	4.2
79.05491	25.2
81.03400	14.6
81.07056	7.7
85.02898	51.7
87.00822	19.4
89.03934	6.1
89.90765	5.0
91.05481	15.1
93.07042	57.3
95.04957	11.8
95.08629	4.5
97.02901	40.9
99.04441	8.1
100.11247	10.2
103.03927	9.4
105.01852	27.2
107.08586	41.4
109.02903	10.5
110.99969	4.2
111.04452	7.2
117.03373	7.2
121.02804	7.4
123.04430	11.8
125.02355	8.0
127.03909	35.1
133.02834	5.3
135.04407	13.4
135.11694	100.0
136.22888	4.7
137.05942	13.6
139.03874	9.8
145.04948	9.9
149.02283	5.9
151.03824	7.6
153.05455	10.0
163.03893	40.4
164.04146	4.2
165.05476	5.0
167.07057	9.5
169.04913	14.7
177.01790	5.6
181.04955	8.7
183.06500	32.3
189.03911	13.0
193.04942	6.3
195.00636	4.0
195.06552	10.3
211.06122	11.1
221.05983	5.6
223.05981	13.5
231.05074	8.6
241.07137	9.0
249.05881	12.6
270.70493	4.3
273.06009	15.4
295.06030	7.9
312.08670	6.6
319.19125	9.3
320.19308	19.7
323.05423	5.0
361.07822	5.6
363.09030	6.3
371.14853	8.6
400.09137	8.4
406.11313	5.3
568.44037	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	568.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16451	0.7
53.03938	1.3
54.40780	0.6
55.01863	2.0
55.05500	1.0
57.03415	2.5
57.07071	1.3
61.02919	5.4
61.93253	0.7
67.05500	7.0
69.03422	8.7
69.07053	1.7
70.06578	1.2
71.04984	7.0
73.02903	2.3
79.05492	7.0
81.03396	4.3
81.07043	1.4
83.04961	2.4
85.02897	41.4
85.06535	45.1
87.04449	1.7
87.14260	0.7
91.03934	2.8
91.05453	4.5
93.07054	4.5
95.04961	2.7
97.02885	13.6
97.06526	1.2
99.04445	1.5
99.08074	2.1
101.05978	0.7
105.07043	5.8
107.04931	2.9
107.08594	7.9
109.02857	3.8
109.06512	2.3
111.04436	4.3
117.06990	0.9
119.08575	7.1
121.06488	5.1
121.10137	6.4
125.05998	2.9
127.03043	0.8
127.03917	8.8
129.06987	2.1
131.08556	25.0
133.10121	1.5
135.11667	2.3
137.09608	2.8
139.03729	0.8
143.06967	1.1
145.04947	13.4
145.06105	1.1
145.06612	0.6
145.10106	11.6
147.08018	1.6
149.05984	1.2
149.09607	22.1
153.05554	0.9
155.07065	0.9
163.03888	1.7
163.06000	5.8
163.11176	9.4
165.09087	3.8
167.06920	1.2
167.10667	14.9
173.09578	2.5
179.10631	1.4
191.10652	29.6
197.11690	1.7
209.11705	42.1
209.15031	1.7
210.12047	1.1
227.12753	100.0
228.13109	1.8
240.67693	0.8
532.98669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	7.4
57.03420	12.3
64.52697	5.5
67.05482	7.5
69.03413	9.6
70.49351	10.1
77.06829	5.0
79.05470	27.1
81.07045	9.6
83.04943	29.6
91.05468	64.5
93.07022	21.7
95.04947	56.1
97.06503	10.7
98.22775	5.4
101.06015	12.6
105.07012	42.2
107.04926	30.2
107.08575	18.6
109.02861	7.2
109.06512	60.5
115.05450	23.0
116.06226	7.0
117.07003	39.0
117.48679	4.9
117.81047	5.4
119.04938	8.7
119.08564	19.9
121.06490	20.4
123.04420	13.4
123.08080	7.0
128.06194	19.1
129.06956	37.9
131.07660	7.8
131.08551	69.8
133.06459	9.6
133.10149	7.2
135.08058	39.1
137.05948	13.9
141.06984	16.9
142.07751	19.2
143.08565	38.2
144.05695	7.9
145.06479	56.4
145.10107	17.8
147.08034	22.4
147.11646	9.3
153.07045	5.5
156.09294	14.8
157.10104	28.3
158.07361	6.0
159.08049	79.1
161.05971	69.0
161.09575	19.3
163.07518	40.0
165.06989	12.2
166.07784	6.1
171.08044	10.6
171.11690	25.1
173.09636	13.5
175.07463	8.8
175.11121	13.0
177.09058	9.8
181.08577	6.6
181.10089	16.0
183.08057	10.4
183.10159	6.6
184.08768	10.3
185.09595	15.6
187.07516	47.2
187.11133	7.7
189.09138	15.4
189.12755	21.6
194.96991	5.1
199.11171	68.4
201.09032	18.2
201.10847	5.4
203.10661	9.8
205.08577	11.2
209.09599	8.0
217.12233	41.6
227.10632	42.3
245.11708	100.0
259.85886	6.2
263.12781	32.3
290.02899	5.2
292.13742	5.9
337.16443	12.4
460.84579	6.6
471.93585	5.8
546.70941	5.0
547.20148	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	568.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.5
55.01891	5.7
57.03428	8.3
69.03417	30.2
69.07082	5.1
71.05008	3.7
71.41533	4.5
73.02925	5.0
75.90117	3.5
81.03407	19.8
85.02905	88.5
87.00831	27.9
97.02888	22.3
99.04461	9.4
105.01868	35.1
108.04523	4.4
109.02850	26.8
117.01860	4.3
123.11712	6.7
127.03922	61.7
133.06479	5.7
144.09727	4.5
145.04958	28.9
147.08070	14.8
149.09610	46.8
159.02916	18.0
159.08092	8.3
171.17119	4.2
173.09647	6.3
175.11185	12.4
187.11142	8.3
189.12762	38.3
201.12717	29.9
213.03865	4.4
215.14319	13.6
231.05005	16.0
248.07678	6.3
283.20535	4.5
285.22141	100.0
536.52509	3.7
568.25177	7.2
568.31665	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	568.348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	29.6
61.41141	9.9
67.05469	10.3
76.02228	16.7
91.05472	38.1
93.07031	15.8
95.04926	12.0
104.10683	14.0
105.07034	54.2
117.07011	54.5
119.08604	22.9
129.06982	54.9
131.08548	44.3
133.10123	19.5
143.08562	43.9
145.10109	66.0
155.08505	17.3
157.10165	23.8
171.08043	15.6
171.11610	17.3
173.09579	100.0
185.13155	25.1
188.99771	11.0
191.10727	16.5
195.11848	12.7
195.54283	13.5
203.14423	17.1
213.12712	33.2
231.13811	49.1
288.38333	12.1
289.61749	12.2
291.09906	11.9
332.95605	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	568.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.7
57.07065	26.0
67.05495	10.9
69.03430	7.4
69.07079	4.6
71.04984	4.7
71.43227	5.2
79.05485	15.6
81.07048	16.3
83.04968	29.7
85.06540	6.1
91.05462	38.2
93.07035	19.2
95.04934	21.3
95.08607	18.8
97.06525	6.7
103.05398	5.1
104.10779	6.2
105.07014	90.9
107.05038	6.1
107.08595	14.0
113.55252	4.2
115.05459	8.0
117.07010	45.5
119.08566	28.4
119.47359	4.2
121.10104	6.9
123.08110	5.2
128.06242	15.7
129.07022	34.4
129.83717	3.9
130.07756	10.8
131.08557	44.3
131.98778	4.4
133.06476	7.9
133.10127	17.3
135.08058	5.2
137.09589	14.9
141.06996	4.8
142.07722	6.9
143.08562	43.3
145.06465	5.6
145.10103	100.0
147.08034	7.5
147.11688	10.0
149.09575	6.0
155.08488	24.8
156.09206	5.0
157.10103	22.3
159.11676	12.9
161.09625	19.1
161.13295	5.6
163.11238	9.7
169.10124	9.5
171.11668	22.0
173.09610	79.4
173.13258	4.7
175.11203	9.8
183.11642	10.5
185.13274	26.1
189.12656	6.8
191.10637	7.8
195.11667	12.6
201.12859	6.0
203.14264	13.4
213.12752	30.4
231.13712	45.1
249.14787	9.8
428.19080	4.7
513.10358	5.3
522.97791	4.9
568.56226	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	568.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24323	1.3
53.93513	1.4
55.05505	4.6
57.03432	3.0
67.05495	5.7
69.27595	9.1
69.38038	1.3
70.06590	1.5
71.04984	7.8
79.05482	12.9
81.07040	11.6
82.64827	1.3
83.04953	8.6
85.06532	3.1
91.05466	39.5
93.07026	15.0
95.04958	20.5
95.08611	5.7
97.06516	3.9
103.05505	2.9
105.07019	56.6
107.04926	1.6
107.08596	7.6
108.08125	1.5
109.06516	5.8
115.05439	9.8
116.06240	2.5
117.07003	56.9
117.07802	3.3
119.04994	3.6
119.08574	18.1
121.06477	5.5
121.10149	4.3
123.08066	3.1
128.06201	15.3
129.06992	48.5
130.07774	9.7
131.04922	1.5
131.08554	53.3
133.06461	6.2
133.10123	20.9
135.08046	3.6
141.07008	7.9
142.07745	12.9
143.08549	46.5
145.06477	7.5
145.10104	69.0
146.10449	2.1
147.08072	9.2
147.11678	6.0
149.09642	5.0
151.07521	1.6
153.06989	4.3
154.07809	4.3
155.06102	2.0
155.08533	21.0
156.09282	7.9
157.10114	28.1
158.07314	2.3
159.08047	3.3
159.11659	11.9
161.09573	11.2
161.13246	5.9
163.11160	3.5
165.07011	3.7
167.08517	2.0
169.10147	6.9
170.10876	3.7
171.08028	6.2
171.11664	19.1
173.09598	100.0
174.10095	2.4
175.11194	13.1
175.14813	3.8
177.09071	2.6
180.09431	2.5
183.11681	1.8
185.09685	2.0
185.13240	26.7
187.11200	4.4
189.12756	6.5
191.10675	14.4
195.11620	8.1
198.10297	2.0
201.12801	2.4
203.14293	15.9
213.12720	21.2
231.13780	49.6
249.14879	6.1
261.14844	10.9
262.18091	2.7
319.19052	3.4
337.20230	1.6
350.23187	7.3
368.24368	2.1
404.62305	1.6
408.69095	1.6
457.77856	1.5
494.76819	1.7
545.79889	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.4
57.03442	4.7
63.54357	3.5
67.05495	11.4
69.03466	4.1
69.07069	4.0
79.05487	10.9
80.15268	3.0
81.07047	12.8
83.04968	12.1
91.05473	25.6
93.07024	18.0
95.04958	98.8
95.08592	6.8
97.06520	4.3
99.04429	3.5
105.07025	50.9
107.08562	17.7
109.06495	14.0
109.10160	3.3
115.05452	3.6
117.06999	16.8
119.08569	41.5
120.00670	3.3
121.06488	8.9
121.10128	13.4
123.08040	7.2
129.06987	8.8
130.07784	9.0
131.08549	48.2
133.06488	38.1
133.10135	19.6
135.08009	11.3
135.11674	6.5
137.09665	4.6
142.07820	6.6
143.08548	15.7
145.10109	100.0
147.08023	12.4
147.11674	17.3
149.09619	11.3
155.08490	6.8
156.09348	4.0
157.10121	29.1
159.11697	20.8
161.09601	8.6
161.13274	6.6
163.11168	13.2
165.08984	4.9
171.11687	6.9
173.09622	30.5
175.11195	27.3
175.14853	7.8
185.13257	14.7
187.14822	9.4
189.12781	10.9
191.07785	3.7
191.10643	36.0
195.11610	5.7
197.13234	5.2
203.14320	23.4
207.10153	5.2
213.12750	10.2
215.14296	6.9
221.38472	3.8
231.13782	39.3
233.15271	7.2
249.14992	19.0
305.17413	3.5
368.20432	8.0
452.77631	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	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.3
56.14800	5.6
67.05508	15.4
69.07072	16.7
69.23296	13.2
69.23705	25.1
69.60187	5.7
79.05506	16.0
81.07048	33.7
83.08620	9.0
90.58291	8.1
91.05479	25.7
93.07047	46.2
95.04981	31.4
95.08611	30.7
105.07027	65.2
106.07832	9.3
107.08603	40.5
109.10126	17.5
117.07008	18.6
119.08585	96.6
120.09350	11.1
121.10130	35.4
123.08049	21.0
128.06241	8.3
129.07002	18.1
130.07709	8.1
131.08542	42.8
133.10149	54.5
135.11679	24.1
139.11220	7.0
142.07794	13.1
143.08575	37.6
144.09338	15.7
145.08997	8.5
145.10121	100.0
146.10867	11.0
147.11653	31.3
149.09677	7.4
155.08521	10.8
156.09297	9.8
157.10136	56.0
158.10960	8.5
159.11700	36.7
161.09662	12.0
161.13228	14.1
167.08620	7.6
169.10126	30.0
170.10846	7.6
171.11655	36.5
172.12479	9.3
173.13239	39.7
175.14748	34.6
177.12772	8.2
181.10063	14.1
183.11681	22.8
185.13231	23.9
186.13876	12.2
187.14796	20.1
189.12787	8.6
191.14308	14.4
194.10864	7.6
195.11690	17.0
197.13242	36.3
198.14125	8.3
199.14821	11.8
200.15627	9.2
201.12791	7.8
201.16393	10.9
207.11662	13.1
208.12358	6.8
209.13249	23.0
211.14830	24.8
217.15901	10.7
219.17422	7.2
221.13196	6.8
223.14726	10.7
225.16472	9.4
235.14848	9.8
237.16443	15.7
239.18034	8.8
249.16380	9.2
261.16345	7.9
264.18390	8.0
279.21201	9.2
297.22153	11.2
311.29581	11.2
323.23590	15.0
337.25140	7.5
338.25970	60.1
369.69214	6.2
430.32181	25.2
476.36319	28.1
568.42896	43.5
568.56403	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76851	0.5
59.81329	0.5
69.50555	0.5
70.30601	1.3
70.30960	0.6
70.42226	0.5
84.27203	0.5
95.01109	1.0
102.01643	0.6
118.03911	0.7
127.00005	1.0
133.02675	2.3
135.04202	1.3
151.03885	0.7
153.30092	0.6
162.02814	0.6
163.03731	4.2
169.04776	1.7
179.03232	4.7
185.04216	1.1
203.05322	0.8
227.05299	1.7
239.06793	0.8
243.04770	2.1
245.06352	6.3
250.36340	0.5
271.04254	1.3
279.08411	2.9
287.03848	1.0
289.05267	2.0
303.12006	2.3
311.05673	0.9
321.13208	2.2
341.08530	1.5
355.09946	1.9
366.09213	2.7
383.09534	10.9
410.08170	0.9
427.08441	2.6
428.08920	0.8
438.26434	0.7
483.18445	1.8
525.19336	19.4
526.19629	1.2
569.18329	100.0
570.18494	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	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16377	1.9
72.16788	0.3
77.48531	0.3
80.58308	0.3
85.02895	0.5
93.07044	0.4
95.04972	0.4
107.41302	0.3
134.86012	0.3
149.67651	0.3
152.09964	0.3
156.07814	0.4
185.04257	0.8
203.05316	0.6
259.07944	1.0
275.07364	0.4
295.15298	0.5
296.83722	0.4
321.11057	0.4
331.10034	0.9
388.28564	0.4
407.24084	1.2
457.20209	1.9
471.21768	3.0
487.21512	0.9
527.33484	0.4
528.33875	1.2
569.29291	100.0
570.29730	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	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96928	0.4
65.02888	0.3
69.68223	1.2
76.06783	0.4
80.60232	0.3
81.07056	0.4
127.03856	0.4
130.37375	0.3
133.30989	0.3
185.04266	0.6
203.05338	0.8
256.55161	0.5
259.07901	0.9
331.10074	0.6
335.67407	0.3
361.35556	0.4
389.10220	0.4
407.24109	1.7
457.20337	1.8
471.21991	3.0
487.21469	0.5
492.68301	0.4
497.23761	0.7
511.24808	0.5
525.23242	0.6
569.29297	100.0
570.29712	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	570.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36761	0.7
53.03944	1.3
55.01868	2.9
55.49482	0.7
56.46445	0.8
62.71329	0.8
64.50663	1.1
65.03938	1.4
67.05514	5.2
68.99804	4.8
70.50406	1.5
70.50740	1.1
77.03924	2.4
79.05487	2.5
81.03390	1.7
83.04975	1.8
88.05008	0.7
95.04966	13.0
100.07839	0.8
103.05489	2.0
105.03387	11.1
105.04481	1.5
105.07033	1.7
107.04954	12.2
109.02874	2.4
111.04403	1.3
121.02848	1.2
123.04423	8.9
127.51014	0.9
128.06171	0.9
129.07025	1.8
131.04901	2.2
133.02846	45.2
134.03624	1.3
137.02362	2.1
139.04004	0.9
139.05336	1.3
141.06992	3.5
147.04375	3.2
151.03912	10.2
152.06232	2.6
153.06996	6.4
155.08534	3.8
157.06430	1.1
159.04494	1.2
161.02322	6.2
161.05997	1.3
163.03911	1.8
163.05397	1.1
165.07007	18.0
167.08537	2.7
168.05878	0.9
169.06506	7.1
171.07996	2.1
173.06026	2.8
174.48703	0.8
175.03870	9.3
177.06969	1.5
179.03383	100.0
180.03702	1.2
181.05029	1.7
181.06474	7.1
183.08044	6.4
185.06036	1.5
185.09567	1.1
187.07491	1.4
191.04985	0.8
193.06502	10.3
195.02800	1.1
195.08066	3.7
197.05954	8.9
199.07501	5.8
203.03398	1.0
205.06476	1.2
207.02875	1.5
209.05954	8.7
210.06737	2.3
211.07523	11.8
212.08002	0.9
213.05452	3.6
213.09097	3.0
215.07062	1.0
221.06033	9.2
223.07524	2.1
225.05463	1.1
227.06979	4.2
237.05453	14.3
238.05992	1.9
239.06987	21.5
241.04884	1.4
241.08595	2.9
249.05473	3.9
251.06917	1.1
255.06541	14.3
256.07269	2.7
257.08087	6.8
265.04929	11.0
267.06506	9.2
283.05994	36.0
285.07578	8.0
293.04422	3.1
295.05957	7.1
301.06973	4.1
311.05484	72.3
312.05899	2.3
313.06815	5.0
320.71692	0.8
323.99234	0.9
329.06570	4.5
339.05234	3.8
357.06113	6.0
398.56732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22385	0.5
51.02374	0.6
51.88967	0.5
53.03944	1.2
55.01857	1.5
65.03929	1.2
67.05497	4.7
68.99784	2.9
69.03417	0.7
69.85016	1.7
70.06586	4.0
77.03922	2.3
79.05479	2.2
81.03404	2.6
83.04972	1.5
85.02886	2.1
91.05483	1.5
93.03397	0.7
95.04961	12.6
96.05261	0.5
97.02898	0.6
103.05470	1.1
105.03387	8.3
105.04511	0.7
107.04940	10.3
108.05255	0.5
109.02870	3.4
111.04430	2.5
115.05427	0.7
117.07028	0.8
119.04899	1.3
120.30913	0.5
123.04427	7.6
127.03922	1.0
129.06956	0.8
131.04913	4.8
131.08595	0.6
131.54491	0.6
133.02840	39.1
134.03688	1.2
135.04384	2.3
137.02286	1.2
137.05971	9.3
139.03903	3.2
141.06992	1.8
143.04948	1.0
145.02780	0.5
147.04373	3.0
151.03896	11.1
152.06177	1.5
153.06958	2.0
155.08493	1.6
161.02318	5.6
161.05951	2.4
161.09714	0.5
162.06746	0.7
163.03859	2.3
163.05138	0.6
163.07521	0.8
165.06993	7.2
166.07516	0.6
167.03247	0.6
169.06458	4.0
173.05957	1.3
175.03900	2.7
175.07504	1.4
179.03375	100.0
180.03679	2.5
181.04979	1.9
181.06464	2.3
183.08015	1.5
185.05991	0.6
187.07559	2.5
187.90594	0.7
189.05553	0.6
191.04933	0.6
191.06915	0.7
193.04895	0.8
193.06473	5.3
195.02858	1.1
195.07997	0.9
197.05960	7.9
199.07457	0.9
201.05446	5.6
203.06984	1.0
205.06429	1.4
207.06499	1.0
209.05971	3.5
210.06718	1.0
211.07518	6.7
213.05321	1.2
215.07054	1.8
217.15916	0.6
219.04474	0.7
219.06482	1.6
221.06010	5.2
222.06549	1.1
223.07512	1.2
225.05396	1.1
227.06943	2.8
229.08664	1.0
231.06525	0.9
233.05943	0.6
233.19037	0.5
237.05469	7.4
237.09161	0.9
238.06157	1.5
239.06996	22.0
239.09402	1.2
241.04916	1.6
247.03935	0.7
247.07469	1.1
249.05386	2.7
249.07593	4.1
250.06160	0.7
251.07111	1.1
251.10573	0.6
253.04935	1.1
255.06499	6.5
256.07230	3.6
257.08081	9.0
265.04916	9.7
265.08548	1.5
267.06461	5.3
268.06927	0.8
271.09628	1.4
277.08578	0.9
279.06345	0.6
281.04382	0.7
283.05972	16.4
284.06345	0.9
285.07635	1.2
293.04404	1.8
293.07855	1.2
295.05890	2.1
297.11179	1.5
299.05371	1.5
300.06351	3.7
301.07150	5.0
307.09454	0.9
311.05444	6.8
311.12631	1.1
313.07065	0.9
321.04034	1.0
323.09186	0.9
325.10605	2.4
327.04871	0.9
329.06595	1.4
339.04907	2.2
343.11795	0.7
355.04572	1.1
355.11707	14.0
357.05817	1.2
374.08609	0.8
375.07001	0.6
425.50049	0.6
440.64011	0.6
463.09796	1.1
535.08685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.9
70.68259	1.9
71.74989	0.9
79.05506	2.7
81.03417	1.7
89.88192	1.0
91.05454	2.8
93.03399	2.5
105.07034	1.3
107.04948	4.4
111.04430	10.4
122.00592	1.0
123.04373	1.1
131.04921	1.4
133.10158	6.0
134.10460	3.4
135.04413	9.3
137.02335	13.1
138.03131	3.1
139.03897	16.4
143.75920	1.1
147.04417	1.8
149.05920	3.0
151.04005	1.4
153.05457	63.5
160.05115	1.4
163.03889	13.0
164.04196	4.0
165.06984	3.8
181.04948	8.0
186.03154	3.1
187.03888	5.1
191.08560	1.9
193.06581	5.3
193.08078	1.2
195.06506	2.3
197.05940	2.2
201.05417	2.7
203.03438	1.9
205.04845	1.9
205.06534	1.6
211.07501	2.3
213.01819	4.4
219.08049	2.7
221.05959	31.8
222.06487	1.5
223.07478	2.7
225.05423	14.2
231.02832	1.3
233.05948	1.8
239.06975	6.0
245.04430	6.3
247.07535	1.2
249.05453	50.9
250.06087	4.6
251.06900	1.7
253.04944	38.2
255.06358	1.6
266.05624	1.3
267.06506	15.6
268.07288	1.7
277.04935	22.9
278.05685	4.3
279.06519	2.5
281.04446	3.3
295.05991	100.0
296.06433	4.1
297.07455	1.4
305.04437	1.7
311.09085	2.7
313.07187	1.3
323.05490	29.6
327.08563	5.3
355.08084	57.2
356.08414	2.0
570.15729	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86658	2.9
53.36229	2.9
53.44837	2.7
58.35210	3.1
63.05220	2.8
65.03927	3.9
65.84044	2.6
67.06467	2.6
70.33653	5.5
70.45918	2.8
91.05453	4.2
93.03399	4.6
103.05453	6.3
107.04948	7.8
111.04424	21.9
131.04910	14.3
135.04390	19.0
139.03902	40.8
151.03880	13.4
159.04454	4.7
163.03854	24.5
164.04208	4.1
177.05432	10.2
179.03351	5.9
181.04961	21.9
187.03883	52.5
194.07321	4.3
194.62801	2.9
205.06447	18.8
221.06032	8.8
222.06744	10.5
223.07658	3.6
226.73970	3.2
231.02831	9.1
231.48100	2.8
233.05959	20.7
237.09108	30.0
247.07430	4.3
249.05467	15.8
250.06236	61.0
251.06987	7.6
261.05533	3.4
263.06970	19.5
265.08527	40.3
266.05725	5.3
267.06519	14.2
277.04898	8.7
278.05734	46.4
279.06235	3.9
281.07983	8.1
283.09610	10.9
293.08057	100.0
294.05225	6.8
294.08279	4.5
309.07541	40.4
311.09088	80.5
312.09445	3.2
320.19321	4.1
327.08691	15.6
337.07004	5.9
355.08078	79.2
356.08163	3.3
478.98434	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94218	2.6
55.61860	2.7
60.19682	3.2
63.77667	2.9
65.03924	5.5
70.06592	6.5
71.43228	4.2
75.04485	3.2
75.89185	2.8
79.05482	6.7
81.03402	8.0
85.02897	6.8
89.03909	13.8
95.04963	4.4
100.11261	7.3
103.09385	3.1
105.06996	5.9
107.04934	6.2
109.02862	4.6
111.04411	6.8
117.03366	20.6
123.04421	4.8
133.02811	6.1
133.06487	7.0
135.04424	23.6
136.04724	5.9
137.02260	5.9
137.05951	8.2
139.03873	6.7
140.04640	3.6
145.01715	4.1
145.02834	63.5
146.03169	5.2
147.04404	4.8
149.05939	7.4
153.05441	35.4
155.06982	4.1
161.05875	6.6
163.03896	79.4
164.04254	15.6
165.05461	5.2
165.07007	3.6
167.06973	16.1
171.06451	3.1
176.03470	5.6
177.03946	6.9
177.05466	100.0
179.03397	4.1
181.04947	79.9
193.05023	3.9
193.06680	3.7
193.08566	7.5
199.06018	4.8
221.05966	4.8
252.06099	3.8
280.05951	3.4
282.07816	3.4
290.43069	4.4
295.05911	11.8
296.06714	3.8
312.05826	5.5
321.09583	7.3
325.09021	6.3
339.10727	5.3
358.09225	10.0
365.63516	3.1
376.10117	8.5
478.11310	3.6
489.08026	4.4
570.45404	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	570.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76715	1.3
69.03418	2.3
69.07592	3.5
69.08004	7.2
70.06577	3.6
76.22279	1.5
79.05473	3.7
80.20992	1.4
81.03439	2.4
85.02912	8.9
85.03341	1.5
89.03901	1.9
91.05474	6.2
93.07043	2.2
95.04946	2.2
97.02886	2.8
99.75666	1.4
100.96342	1.4
103.05449	3.3
105.06998	2.6
107.04946	6.4
109.06504	1.5
111.04398	1.4
117.03357	4.1
119.04911	1.9
121.06463	3.6
121.63387	1.3
122.21631	1.7
127.03906	1.9
127.60717	1.5
128.06181	2.8
129.06985	15.1
131.04900	3.0
131.08580	10.4
135.04413	2.0
135.08047	2.5
137.05965	6.5
141.06924	7.4
145.02837	9.8
145.06438	1.8
151.07527	5.0
153.05495	9.4
157.06488	11.2
158.07237	3.0
159.08028	6.1
159.19058	1.6
160.14520	1.5
161.06000	8.8
161.09563	2.9
162.07558	1.8
163.03896	5.8
163.07549	5.4
165.06961	2.1
166.06242	1.7
167.07039	32.0
167.08487	2.2
169.06508	4.1
173.05937	2.1
174.06760	20.1
175.07497	6.5
177.05466	18.2
177.09076	1.9
179.07178	1.7
180.08577	2.0
181.04996	2.3
181.08580	24.9
186.06804	3.2
189.09077	51.8
191.06924	1.6
191.10641	3.4
195.08029	2.3
195.93237	1.5
201.09128	10.9
207.10121	5.1
211.07584	1.6
219.10141	100.0
220.10541	2.7
221.05940	1.5
223.07469	2.8
225.09048	4.2
253.08516	3.6
255.10109	2.1
257.11737	5.4
283.09546	3.5
283.13312	3.0
285.11288	7.6
302.11197	1.9
311.12695	3.1
315.12302	4.0
317.13824	7.4
339.10715	2.0
343.15347	14.8
361.16406	64.4
362.16827	2.8
435.23236	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76715	1.3
69.03418	2.3
69.07592	3.5
69.08004	7.2
70.06577	3.6
76.22279	1.5
79.05473	3.7
80.20992	1.4
81.03439	2.4
85.02912	8.9
85.03341	1.5
89.03901	1.9
91.05474	6.2
93.07043	2.2
95.04946	2.2
97.02886	2.8
99.75666	1.4
100.96342	1.4
103.05449	3.3
105.06998	2.6
107.04946	6.4
109.06504	1.5
111.04398	1.4
117.03357	4.1
119.04911	1.9
121.06463	3.6
121.63387	1.3
122.21631	1.7
127.03906	1.9
127.60717	1.5
128.06181	2.8
129.06985	15.1
131.04900	3.0
131.08580	10.4
135.04413	2.0
135.08047	2.5
137.05965	6.5
141.06924	7.4
145.02837	9.8
145.06438	1.8
151.07527	5.0
153.05495	9.4
157.06488	11.2
158.07237	3.0
159.08028	6.1
159.19058	1.6
160.14520	1.5
161.06000	8.8
161.09563	2.9
162.07558	1.8
163.03896	5.8
163.07549	5.4
165.06961	2.1
166.06242	1.7
167.07039	32.0
167.08487	2.2
169.06508	4.1
173.05937	2.1
174.06760	20.1
175.07497	6.5
177.05466	18.2
177.09076	1.9
179.07178	1.7
180.08577	2.0
181.04996	2.3
181.08580	24.9
186.06804	3.2
189.09077	51.8
191.06924	1.6
191.10641	3.4
195.08029	2.3
195.93237	1.5
201.09128	10.9
207.10121	5.1
211.07584	1.6
219.10141	100.0
220.10541	2.7
221.05940	1.5
223.07469	2.8
225.09048	4.2
253.08516	3.6
255.10109	2.1
257.11737	5.4
283.09546	3.5
283.13312	3.0
285.11288	7.6
302.11197	1.9
311.12695	3.1
315.12302	4.0
317.13824	7.4
339.10715	2.0
343.15347	14.8
361.16406	64.4
362.16827	2.8
435.23236	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00390	1.7
69.27695	10.3
71.02406	1.5
79.05501	1.5
83.10749	1.6
91.05454	3.1
95.05012	3.0
105.07018	6.8
107.04964	3.4
107.37591	1.5
115.05465	2.1
117.07023	2.1
131.04906	2.3
133.06494	8.6
137.05954	3.1
151.07539	7.2
154.06329	1.6
161.05966	9.8
167.07065	11.9
175.07587	3.1
177.09097	100.0
181.08586	7.5
189.09023	4.0
193.08577	47.5
195.10240	3.6
221.11682	17.5
227.25775	1.7
279.10321	1.9
285.11188	2.9
309.76529	1.7
343.15280	3.9
361.16333	16.3
369.27472	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03949	1.4
55.01858	1.5
55.05511	7.2
57.03427	1.1
57.07075	1.2
65.03929	2.3
67.05505	11.8
68.65620	0.8
69.03424	3.2
69.03867	0.8
69.07054	3.2
69.11198	6.8
71.04980	3.6
77.00915	0.9
77.03911	1.7
79.05484	17.0
81.07051	23.1
83.04983	11.8
83.08653	1.5
85.06543	11.3
87.00821	1.2
91.05476	43.6
91.06057	2.1
93.07037	21.6
95.04963	26.4
95.08601	11.8
97.06531	5.3
98.22747	1.7
99.04439	1.5
99.08021	1.3
101.05978	1.8
103.05470	4.3
105.04527	2.1
105.07026	67.6
107.04951	6.9
107.08582	14.6
109.06522	7.5
109.10132	1.3
111.04377	1.2
111.08076	2.2
115.05458	7.3
116.06231	1.8
117.07015	46.6
119.04910	2.6
119.08571	34.1
121.06508	9.6
121.10157	6.1
123.08071	4.9
125.06016	1.2
128.06212	17.0
129.07001	30.1
130.07799	10.1
131.04900	2.9
131.08566	37.5
133.06490	11.8
133.10121	22.3
135.04396	1.1
135.08032	8.2
135.11649	3.3
137.05925	1.9
137.09576	2.8
141.07008	5.1
142.07790	13.4
143.08554	47.2
144.09232	2.0
145.06479	8.3
145.10115	100.0
146.07181	1.6
147.08034	13.6
147.11665	9.3
149.05885	1.2
149.09605	9.0
151.07547	2.5
153.06949	2.4
154.07755	3.2
155.05998	1.1
155.08548	18.1
156.09351	6.7
157.10121	29.9
158.07242	3.5
159.08069	4.3
159.11681	14.4
161.06046	1.0
161.09618	18.1
161.13205	4.6
163.07513	1.8
163.11176	9.0
165.06996	5.4
167.08517	1.9
168.09198	1.1
169.10123	4.9
170.10890	3.9
171.08032	5.7
171.11665	10.3
173.09612	80.2
173.13145	4.3
174.10019	1.5
175.11179	12.7
175.14784	5.5
177.09093	1.3
179.10680	1.3
180.09332	2.6
183.07980	1.8
183.11682	2.1
184.08850	1.3
185.09601	4.0
185.13246	33.6
187.11165	6.3
189.09082	2.6
189.12793	6.0
191.10661	30.5
191.14268	1.0
195.11697	11.5
198.10393	2.1
201.12711	3.4
203.14296	25.3
205.12209	1.4
213.12729	28.5
219.13776	1.9
225.01779	0.9
231.13791	47.6
249.14845	7.5
277.10742	2.5
289.84586	1.0
291.12338	1.8
292.83878	1.2
317.13684	1.0
335.14859	3.0
353.15991	3.2
419.24228	0.9
419.39566	0.9
570.30035	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	570.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15088	0.6
54.87638	0.6
56.53989	0.5
57.65344	0.7
63.15102	0.5
63.72020	0.6
72.49615	0.6
80.06242	0.8
91.05466	3.3
95.04983	0.7
105.07002	1.2
107.04961	4.6
108.05722	2.1
110.09644	0.7
120.08057	0.8
121.06475	1.3
124.07556	1.0
131.04910	1.8
131.08655	0.6
133.06494	1.0
135.04420	2.3
135.08081	1.1
136.05200	5.9
137.05954	2.7
144.38068	0.6
145.06361	0.9
146.07216	1.1
147.08025	4.3
150.06761	1.2
151.07526	100.0
152.07893	1.9
159.08023	0.9
160.08810	1.2
161.09636	1.3
162.06685	0.8
163.03839	2.2
163.07500	2.9
164.04218	0.9
165.09084	7.6
172.03923	2.3
174.06728	0.8
175.07506	1.2
176.08275	1.2
177.09068	7.0
179.10558	0.8
184.07344	1.1
187.07576	0.9
188.08321	1.4
189.09058	1.4
190.05003	0.9
191.10649	2.1
192.44679	0.7
202.09869	1.5
203.10649	2.2
204.06572	2.5
217.12218	4.2
279.07568	0.9
323.16370	1.3
325.11807	2.3
340.16681	11.9
353.11392	1.5
355.19000	24.1
362.10895	0.7
373.20074	3.0
426.71606	0.7
538.21747	2.5
552.13531	0.8
570.14923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77369	1.9
54.69096	2.0
55.01874	3.0
55.05503	10.7
57.03421	3.2
65.03971	2.3
67.05161	3.1
67.05502	38.4
69.03413	9.4
69.07059	13.5
69.32159	6.9
69.32568	4.8
71.04971	10.4
73.02946	2.2
78.29641	1.8
79.05481	15.9
81.03412	10.6
81.07048	59.0
83.04975	2.9
83.08597	14.7
85.02898	19.3
85.06527	4.1
87.00818	9.4
89.03902	2.1
91.05481	11.4
93.07038	25.2
95.04944	3.1
95.08601	57.6
97.02880	8.9
97.06513	4.2
97.10152	7.3
99.04434	3.5
99.08078	9.3
99.62185	1.9
100.11244	4.8
105.01868	5.6
105.07022	8.8
106.06483	2.0
107.04948	2.7
107.08578	18.5
109.02882	10.1
109.06516	3.2
109.10154	33.3
111.04424	4.9
111.11760	2.5
119.04937	3.9
119.08574	6.8
121.06506	3.4
121.10121	28.8
123.08123	2.7
123.11709	13.0
127.03934	12.5
131.08542	8.2
133.10091	19.1
135.04408	7.2
135.08032	2.5
135.11687	20.4
137.05959	3.6
137.09581	6.1
137.13248	4.8
139.03928	10.1
145.02852	3.2
145.10104	4.8
147.04398	11.2
147.11671	4.2
149.09579	3.4
149.13240	7.9
151.03925	2.5
151.11143	7.6
151.14851	2.7
152.07062	3.3
159.02864	2.4
159.11681	5.1
163.03909	20.8
163.11180	3.9
163.14685	2.2
164.04265	4.0
175.27646	2.0
180.06543	6.9
181.04912	7.1
187.14726	2.4
189.16422	2.5
191.17917	21.0
193.15944	5.9
195.13939	2.8
209.18964	17.8
210.82661	2.0
215.17867	14.1
225.22182	7.1
231.02800	4.2
233.18976	14.4
244.09605	7.3
251.20065	24.2
262.10724	5.4
267.06232	2.9
269.21088	51.7
281.08096	5.2
287.22147	100.0
288.22437	2.7
305.23141	10.3
337.07315	3.9
378.58661	2.2
570.47516	3.9
571.14777	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.7
59.95403	1.5
67.05499	4.5
69.07058	4.7
70.94297	2.1
79.05484	5.6
81.07044	8.8
83.04972	24.1
85.06531	3.5
91.05485	9.9
93.07035	9.4
95.08601	6.4
105.07028	24.0
107.08598	10.9
109.10160	4.8
115.05428	2.0
117.07007	17.2
117.52853	1.5
119.08569	15.4
119.17809	1.5
121.10122	6.8
129.06981	2.3
130.07768	3.6
131.08557	16.5
133.10109	8.3
134.82927	1.3
135.11685	2.6
143.07018	3.4
143.08574	2.1
145.10112	69.3
146.10495	1.6
147.11684	1.9
149.06084	2.1
157.10182	2.0
158.10883	1.2
159.11691	27.9
161.13252	13.9
163.11168	1.8
173.13237	6.3
177.12711	2.0
183.10149	6.9
186.13837	1.6
191.18094	1.4
201.16357	100.0
202.16739	3.4
219.17343	7.9
348.19775	1.6
503.30872	1.6
570.35687	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	570.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.1
57.07067	2.9
65.03952	1.4
66.71699	1.3
67.05502	4.5
69.07065	6.2
70.06592	5.5
70.46458	3.3
71.78094	1.2
73.74961	1.2
77.26043	1.4
78.09406	1.2
79.05494	5.8
81.07060	11.2
83.04971	26.8
83.08617	1.8
85.06531	4.3
86.98338	1.2
88.07632	4.5
89.06020	1.6
91.05477	12.9
93.07047	11.6
95.08601	10.2
102.09174	4.1
105.03394	4.5
105.07024	22.6
107.08578	10.9
109.10155	5.3
116.80473	1.3
117.07018	15.7
117.71038	1.3
119.08572	14.0
121.10153	3.9
129.06990	2.2
130.07790	5.6
131.08553	13.6
133.10144	6.9
135.11678	2.3
140.51738	1.3
143.07033	3.0
143.08585	2.9
144.09277	2.0
145.10112	69.7
147.11693	2.1
149.02377	2.5
149.05963	14.5
157.10101	1.6
159.11667	26.7
161.13243	12.6
163.11229	2.4
163.48239	1.3
169.08577	1.8
173.13277	4.6
177.12819	1.5
183.10179	5.5
194.41385	1.3
201.16367	100.0
202.16753	1.8
219.17430	9.5
256.26279	11.5
297.07635	1.8
300.28943	3.8
341.10153	11.7
570.34253	21.2
570.43439	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	570.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99834	0.9
55.05304	0.7
55.05508	9.0
57.07074	5.6
59.40482	0.7
67.05493	6.9
69.07063	7.2
71.08619	3.4
71.19076	0.8
71.19426	0.8
79.05491	6.0
81.07043	13.2
82.07380	1.0
83.04974	27.5
83.08614	2.0
85.06535	3.5
85.10166	1.5
88.07659	0.7
89.06024	6.8
90.09145	0.7
91.05466	13.4
93.07033	10.2
95.04961	2.2
95.08601	10.1
101.06057	1.0
103.05468	1.0
105.07018	27.5
107.08577	13.5
109.10152	6.1
115.05366	0.8
116.06213	0.8
117.07014	21.8
119.08565	17.2
121.10110	7.4
129.07007	2.7
129.47464	0.8
130.07770	6.4
131.08553	20.8
133.08585	3.4
133.10126	8.7
135.11682	3.1
143.07011	2.7
143.08563	3.2
144.09311	3.3
145.10109	91.8
146.10484	1.1
147.11682	2.1
149.05930	1.6
157.10135	1.9
158.10974	1.1
159.11678	35.4
160.12061	1.0
161.13229	13.8
163.11143	2.2
173.13258	5.2
175.14848	0.9
177.11223	1.8
177.12708	1.8
177.16319	0.9
183.10135	2.6
186.62627	0.8
201.16356	100.0
202.16762	2.6
219.17450	6.6
256.26315	1.5
270.84894	0.8
286.12036	0.8
312.29803	0.8
341.09851	1.1
411.48645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.9
57.07062	3.1
64.19940	0.9
64.42238	0.9
67.05505	4.9
69.07052	5.9
69.78689	1.2
69.79031	3.0
71.08636	1.2
79.05481	5.2
81.07047	9.3
83.04968	20.7
83.08632	1.7
85.06539	3.6
88.07603	1.3
89.06037	3.3
91.05466	11.5
91.20522	0.9
93.07031	8.6
95.04968	2.6
95.08595	8.8
97.06555	1.0
105.07020	21.4
107.08577	11.6
109.10149	3.8
115.05478	1.4
117.07005	14.6
119.08572	13.9
121.06518	1.1
121.10133	7.2
129.06979	2.6
129.50533	0.8
130.07785	4.6
130.08618	0.9
131.08551	18.8
133.08606	2.3
133.10109	6.7
135.11693	2.5
143.07066	2.3
143.08548	3.8
144.09341	2.1
145.10104	74.5
146.10478	2.2
147.11642	1.6
149.05974	1.1
157.10086	1.4
159.11667	27.3
161.13251	10.2
163.11171	1.7
171.11656	1.0
173.13295	5.2
177.16391	1.1
183.10112	2.1
201.16354	100.0
202.16733	2.9
219.17410	6.8
256.26242	1.2
258.08939	1.4
316.71973	0.8
342.96448	0.9
397.47656	1.0
409.41367	1.0
505.87772	0.9
569.56830	1.4
570.34302	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
57.07071	53.9
59.04995	1.0
66.26726	1.1
68.97124	1.0
69.07063	7.8
69.58933	5.3
71.08627	47.3
73.06535	2.3
83.08622	4.5
85.10176	31.4
87.04476	4.8
89.06024	100.0
94.59312	1.0
97.10155	2.2
98.22743	2.3
99.11707	5.3
107.07085	2.0
108.22183	0.9
111.11727	4.5
113.13267	7.2
114.02658	1.0
117.09155	4.2
125.13248	2.0
127.14834	4.2
130.08653	1.5
133.08591	62.9
135.10190	1.6
160.68915	1.2
161.11722	1.6
168.63297	1.1
177.11212	23.9
188.01375	1.2
201.16350	1.5
221.13853	6.4
227.23605	1.5
239.14960	2.3
271.26318	3.4
283.17621	3.1
289.98206	1.0
315.28943	3.4
327.20251	1.9
371.22733	11.4
553.43079	9.8
565.91113	1.8
570.45709	2.3
570.54785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97099	0.5
55.05507	1.3
67.05471	1.0
69.84097	1.6
78.04382	0.7
79.05490	1.2
81.07025	1.0
83.04964	2.6
85.06525	1.0
85.17225	0.6
85.71417	0.6
87.68238	0.7
90.15214	0.5
91.05473	3.3
93.07029	1.5
93.95514	0.5
95.04953	1.4
98.22748	1.1
105.07014	3.9
109.06497	0.8
117.07012	2.7
119.08548	1.4
121.10107	1.5
123.04220	2.2
128.06198	1.1
129.06982	2.6
130.07814	1.1
131.08592	2.9
133.06508	2.3
143.08537	2.3
145.10123	3.1
147.08049	0.8
155.08531	1.3
157.10185	0.9
173.09622	3.6
191.10719	0.8
192.41451	0.6
207.16170	0.7
223.07198	1.4
223.09396	25.2
224.09773	0.7
253.11983	1.2
271.13019	18.0
353.17191	1.2
371.18259	100.0
372.18637	4.5
404.51486	0.7
447.28418	0.6
518.71265	0.7
571.28839	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	571.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41965	2.0
64.75374	2.0
67.83256	2.0
69.87930	5.9
70.47170	2.2
70.61712	1.8
71.59061	2.3
76.38091	2.1
76.82764	2.0
82.80303	1.8
85.02907	2.0
88.46696	1.8
94.00965	1.9
94.16132	2.2
102.66558	2.2
135.04434	3.4
163.03889	5.9
185.81990	2.1
289.05096	2.5
323.16135	7.6
323.25647	4.3
337.73184	2.2
485.30713	5.6
527.22101	6.7
527.31641	24.4
571.21118	13.7
571.30597	100.0
572.30743	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	572.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31682	4.0
60.63128	3.9
69.41704	20.0
79.05518	4.8
81.07066	4.9
81.64705	4.1
89.89252	5.3
98.23418	8.7
107.04942	5.1
113.40697	3.8
115.04998	4.6
120.92206	4.3
138.03127	5.6
145.02814	7.5
153.05461	100.0
163.03854	21.3
167.07118	6.2
171.11836	4.5
173.02373	6.8
181.04964	40.2
189.05197	6.5
191.03400	38.5
195.06502	11.3
196.07281	48.7
221.04453	12.5
243.02602	12.0
246.93990	4.2
302.06802	4.7
319.52216	5.3
357.09671	53.9
371.07556	26.6
417.72443	4.1
528.26306	6.4
572.26654	8.2
573.09576	8.3
573.23926	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	572.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86587	1.9
60.44816	2.2
69.18678	2.6
69.19002	14.8
79.05479	3.7
85.02901	2.4
91.05466	3.0
98.23533	4.3
107.04939	4.7
123.04395	2.4
135.18637	2.0
137.02361	4.8
138.03119	4.4
151.88820	2.2
153.05457	100.0
154.05800	2.4
163.03914	13.5
173.02359	6.2
181.04916	10.6
189.05104	3.2
191.03377	56.8
195.06557	9.7
196.07310	16.0
206.02126	2.4
209.04317	3.0
221.04431	6.9
243.02646	7.9
283.05972	2.5
311.05603	4.7
319.68481	2.0
325.06763	3.1
334.71027	2.1
357.09665	17.5
371.07611	35.8
403.09262	2.5
523.12329	9.0
573.09540	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	572.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.64494	1.0
65.03940	3.0
69.03438	1.6
69.37470	2.0
69.37885	4.2
70.06604	1.0
76.49478	0.9
81.03417	3.8
82.04222	1.2
84.59631	1.0
85.02911	2.5
95.04981	2.7
97.02939	1.1
98.23445	2.2
107.04941	1.2
109.02873	1.6
130.98445	1.0
132.93294	1.1
140.04691	6.3
153.05502	3.2
155.07033	2.0
167.07004	1.4
171.06531	4.3
181.04945	100.0
199.05986	5.4
213.11270	1.4
227.76706	1.1
325.09161	3.8
325.84210	0.9
343.10239	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01868	3.6
55.05499	7.3
57.03437	2.3
65.03942	3.8
67.05506	14.3
69.03425	2.1
69.07058	2.8
69.11143	12.0
71.04972	6.1
75.04401	2.1
76.91451	2.3
79.05481	17.9
81.06628	2.7
81.07057	25.8
82.79964	1.8
83.04975	6.7
85.06538	10.7
87.00809	2.1
87.22331	2.0
91.04941	3.8
91.05477	50.4
93.07044	23.5
95.04961	38.8
95.08605	11.8
96.05267	1.9
97.06524	6.0
98.22646	3.9
103.05453	4.2
105.07024	81.5
106.07351	2.6
107.04939	6.1
107.08573	13.1
109.06533	11.4
111.08073	3.8
114.01176	1.7
115.05433	8.6
116.06253	3.0
117.07011	58.1
119.04932	2.3
119.08572	34.2
121.06496	12.6
121.10136	5.3
123.07987	2.7
127.77895	1.9
128.06221	18.8
129.06989	36.1
130.07790	12.2
131.08557	47.9
133.06474	14.2
133.10110	29.9
135.07996	9.8
135.11703	4.3
135.45078	2.0
137.09592	2.1
141.06996	6.4
142.07776	18.8
143.08548	60.3
145.06467	12.0
145.10114	100.0
146.10391	3.3
147.08038	16.3
147.11673	10.4
149.05899	2.7
149.09608	9.2
151.07481	2.4
154.07756	2.5
155.05971	2.2
155.08559	22.4
156.09306	8.6
157.10121	38.0
158.07256	2.3
159.08025	4.2
159.11679	14.8
161.09602	23.8
161.13237	7.0
162.89731	2.0
163.11163	10.6
165.06921	3.7
167.08551	2.9
169.10085	5.6
170.10913	3.1
171.08026	9.1
171.11674	13.6
173.09612	91.2
173.13239	4.3
174.10114	2.5
175.07603	2.4
175.11183	15.8
175.14822	5.5
177.09088	2.3
180.09346	4.7
183.07996	3.0
185.09631	2.4
185.13246	35.3
187.11198	7.3
189.12790	9.7
191.10660	34.5
195.11627	10.7
198.10359	3.9
201.12790	4.2
203.14305	29.2
213.12747	36.3
219.13860	2.6
231.13774	50.1
249.14847	8.2
335.14893	3.0
353.16089	2.6
390.03799	2.1
444.23209	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.9
58.06594	7.1
67.05482	1.0
69.01733	0.7
70.06570	0.7
71.04990	1.4
72.08143	3.6
74.20888	0.6
75.04472	2.5
79.05499	1.1
81.03413	0.8
81.17469	0.7
84.08147	1.1
85.02892	1.0
91.05486	3.2
92.13437	0.7
93.07056	0.7
95.04971	1.2
97.06460	0.7
98.09678	1.2
102.09176	1.4
103.05464	0.9
105.03402	3.2
105.07028	2.1
107.04965	1.5
108.08103	4.8
115.05439	1.2
117.07011	2.0
121.06504	1.8
123.04473	0.7
128.06229	0.8
129.07014	2.2
131.08591	2.0
133.06511	1.1
134.09688	1.0
135.08044	0.9
137.05980	1.8
138.09138	0.8
141.06941	2.0
147.08032	1.0
152.10738	1.2
153.07021	0.8
155.08531	1.9
158.09586	0.8
160.11241	0.8
163.03912	1.0
165.07027	1.3
167.07178	0.7
167.08521	1.4
169.10114	1.2
171.08028	1.0
172.11215	1.0
178.07791	0.6
179.08589	1.5
181.10234	0.8
184.11211	0.9
185.09653	1.0
186.12814	0.7
191.08519	1.6
192.09372	0.7
192.16707	0.7
193.10124	1.5
197.08081	1.6
202.07713	0.8
203.08568	1.6
204.09288	1.4
205.10146	2.1
207.11748	1.5
211.11145	0.7
216.09369	1.3
217.10185	1.2
219.11714	1.6
221.09384	0.6
223.11208	1.1
237.12851	0.8
247.11253	1.0
249.12798	0.8
265.12387	0.9
279.13678	1.3
296.93027	0.7
322.18259	0.9
336.19516	1.3
342.20493	1.4
354.20639	2.1
358.20068	1.6
368.22382	1.6
374.23300	0.8
386.23190	11.0
390.22775	0.8
400.24719	4.6
418.02469	0.8
418.25842	31.6
419.26108	1.5
450.28448	29.8
451.12411	3.5
451.28629	1.5
529.22284	0.8
540.29047	0.9
572.32098	100.0
573.14655	3.2
573.32312	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	572.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	27.6
57.07072	1.8
64.93645	1.4
67.05492	6.1
69.07064	11.6
70.56820	1.5
71.04984	5.5
71.18542	2.5
73.06552	5.0
79.05498	9.2
81.07045	12.3
83.04973	69.8
85.06536	3.4
91.05466	30.5
93.07040	18.6
95.04962	2.9
95.08585	12.4
97.06544	3.0
99.04450	22.4
101.06000	10.5
105.04454	1.6
105.07021	54.5
107.08587	13.9
109.06525	3.1
109.10195	4.4
115.05490	2.7
117.07005	20.7
119.08571	33.1
121.06476	2.6
121.10148	6.6
128.06218	9.5
129.07001	18.4
130.07803	3.6
131.08556	40.6
133.10121	48.4
135.08041	1.7
135.11684	7.8
141.06940	2.8
142.07767	14.1
143.07047	8.9
143.08545	29.8
144.09334	3.8
145.10118	52.3
147.08086	4.1
147.11655	18.6
149.09618	5.3
149.13240	2.8
156.09293	3.8
157.10109	36.8
159.11684	28.2
161.09619	27.1
161.13214	3.4
169.10173	3.0
171.11665	4.8
173.13211	13.8
175.11168	8.0
175.14832	7.2
183.10188	7.5
189.16370	36.6
199.14796	43.8
201.16380	2.6
217.15855	100.0
235.16914	6.8
248.40331	1.6
272.84317	1.7
295.18835	1.9
359.06766	1.5
469.18829	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82484	1.6
55.05507	20.9
57.03449	1.7
57.07060	1.9
67.05482	4.9
69.07066	9.8
69.89655	5.2
70.64034	1.7
71.04976	5.5
73.06528	4.0
79.05486	8.4
81.07059	9.7
83.04975	58.5
83.08606	2.0
85.06541	4.3
91.05478	22.3
93.07034	14.2
93.20768	1.8
95.04956	2.2
95.08591	13.3
97.06516	2.7
98.22763	2.0
99.04440	23.0
101.06007	5.5
101.25172	1.8
101.51041	1.6
105.07021	48.1
105.13071	1.5
107.08572	14.0
109.10118	4.6
115.05424	2.6
117.07006	16.9
119.08575	23.9
121.06548	1.8
121.10069	3.4
128.06183	7.0
129.06981	11.3
130.07765	4.7
131.08566	32.5
133.10107	38.5
135.11691	4.2
141.07021	2.8
142.07765	14.2
143.06987	8.1
143.08540	19.1
144.09319	2.2
145.10115	50.5
146.10759	2.4
147.08046	3.0
147.11662	16.0
149.09584	3.7
156.09344	3.8
157.10117	33.1
159.11679	24.8
161.09599	20.0
161.13216	3.9
171.11699	6.1
173.13231	12.1
175.11172	6.4
175.14816	6.3
177.12733	3.3
183.10167	4.1
187.14828	2.8
189.16364	33.5
190.16661	2.2
199.14799	34.0
217.15849	100.0
218.16203	2.3
235.16840	5.0
244.36755	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17528	2.6
52.03742	2.1
55.05510	30.1
55.45838	2.1
57.07048	2.4
67.05500	10.5
67.86916	2.4
69.07064	11.8
69.19904	14.7
79.05481	6.6
81.07055	12.6
83.04977	100.0
83.08638	2.8
85.06564	4.9
91.05473	30.9
93.07034	14.8
95.04954	5.9
95.08605	13.4
101.06032	5.7
105.07029	44.1
107.08583	16.5
109.10154	5.1
115.05482	3.9
117.07031	16.3
119.08576	31.2
121.10141	5.5
123.08080	3.9
128.06224	10.4
129.06990	25.8
131.08542	25.6
133.06479	3.7
133.10141	19.0
135.11743	3.0
137.09639	2.3
141.06967	2.6
142.07785	21.3
143.07025	11.2
143.08540	22.3
144.51402	2.3
145.10094	13.3
147.08054	5.8
147.11703	18.6
155.08592	3.1
156.09256	2.8
157.10118	80.3
159.11681	23.4
161.06039	3.1
161.09584	13.1
161.13179	3.3
161.83769	2.6
165.04224	2.6
170.94891	2.4
171.11688	5.3
173.13263	13.9
175.11203	37.6
175.14836	9.4
183.10184	10.6
189.16341	28.8
199.14790	46.7
217.15865	93.1
218.16406	3.0
235.16873	4.1
260.49109	2.6
268.05930	2.8
286.70944	2.5
332.18057	2.6
353.38080	2.5
458.87729	3.2
529.92004	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	572.9429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	7.0
65.36436	0.5
69.70937	2.0
70.01434	0.5
98.97574	86.3
99.97886	0.6
116.98612	41.2
128.93146	0.6
130.93274	1.0
134.99651	11.7
135.13167	0.6
153.00676	1.1
154.93260	0.7
172.94331	5.3
178.93900	0.5
190.95381	3.6
196.94479	0.5
208.96429	0.7
214.95358	5.5
226.95271	0.6
232.96443	10.4
246.91138	0.7
250.97441	3.6
256.96393	17.0
256.99026	1.0
264.92111	0.7
274.97479	100.0
275.97690	1.3
288.92114	0.6
292.98535	54.7
293.98807	1.0
297.99026	0.7
306.73450	0.6
330.93307	0.8
334.99551	0.7
339.00720	0.5
348.94217	0.7
362.89148	0.7
370.19031	0.6
404.90009	0.8
414.95364	27.4
415.95544	0.7
432.96411	37.8
433.96805	1.0
446.91327	0.9
450.97510	6.4
453.04453	1.1
455.98068	0.9
465.04074	0.7
488.92087	1.9
497.73004	0.5
513.05835	1.2
530.93024	1.6
572.94189	9.7
590.95459	0.9
598.10901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
73.37753	0.3
77.74071	0.4
78.96627	0.4
79.05481	0.9
81.03404	0.5
83.88535	0.4
85.02872	0.5
95.04958	0.7
103.05466	0.5
105.03400	3.2
105.07022	3.1
115.05467	0.6
125.05812	0.4
133.06470	2.8
145.02831	0.4
161.05977	5.0
185.04234	0.6
191.07054	1.0
193.08572	2.2
289.06830	0.6
305.06348	1.5
307.07877	7.5
349.08679	0.5
363.10458	4.4
387.10104	0.4
405.11575	0.9
411.14001	1.3
433.10852	0.6
451.12097	85.6
452.12354	3.0
511.19418	2.0
529.20496	3.8
573.15698	100.0
574.16058	5.9
579.41583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99329	1.1
59.71735	1.3
60.99176	1.3
62.31524	1.2
64.77305	1.2
67.05483	1.5
68.99780	3.0
69.33959	6.3
78.05931	1.7
79.05470	1.5
89.06035	2.3
89.40444	1.5
128.22455	1.3
141.06970	2.9
143.08566	1.8
152.06224	1.5
153.06917	1.9
155.08519	1.7
162.36411	1.6
165.07007	3.0
166.07779	1.5
169.06435	22.5
169.07513	2.1
178.07739	14.4
179.08536	4.7
181.10234	1.6
185.80891	1.3
190.07750	4.3
191.08556	6.9
193.10117	10.1
195.08131	2.7
197.05980	3.3
202.07709	7.8
203.08568	4.6
205.10121	5.7
206.07451	1.9
207.07974	3.2
209.09654	2.6
215.08554	4.1
216.09384	2.5
217.10121	2.2
219.08015	9.1
221.09544	11.3
223.07495	3.0
228.09378	4.3
229.06422	1.7
229.10173	1.9
231.08069	3.1
231.11705	3.7
232.08784	2.8
233.09607	12.0
235.07414	2.4
235.11249	1.9
237.09065	6.0
239.06938	9.2
239.10721	1.9
241.10178	2.5
243.11652	1.5
244.08669	1.3
245.09621	2.6
247.07538	24.7
248.08173	2.3
249.09085	15.6
251.07007	2.3
251.10541	1.3
253.08556	3.9
255.07935	1.8
256.26239	2.0
257.09732	2.4
259.07538	4.3
259.11386	2.1
261.09009	14.0
263.10742	2.0
265.08588	12.6
267.10211	5.7
269.09583	3.2
271.11209	3.3
272.08224	1.7
273.09000	2.7
275.07013	16.5
275.10095	2.3
277.08563	100.0
278.08820	3.0
279.10172	15.4
280.10883	6.9
281.11707	2.6
285.09122	2.9
287.10550	8.1
289.08554	6.0
291.10117	6.1
293.08163	5.3
295.09662	7.8
299.10757	7.4
300.07813	1.6
301.08469	1.6
302.09207	1.9
303.09964	2.1
313.08560	2.2
315.10068	23.5
316.10703	2.8
317.11859	4.0
333.11197	2.7
334.11984	2.0
420.15268	2.0
448.14450	3.7
463.16629	2.8
473.15738	3.5
476.13651	2.5
491.16327	6.6
494.14917	3.3
504.12955	3.0
509.17569	11.6
519.15930	13.1
521.13483	2.4
522.14990	2.8
537.16876	37.1
538.17218	2.3
555.17828	41.6
556.17987	3.3
573.18530	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.9
62.23798	0.7
65.18548	0.9
70.09956	0.7
71.42711	0.9
78.27962	0.7
79.05487	6.9
90.05259	0.8
91.05460	1.1
95.04966	1.2
103.05478	8.8
105.07021	62.8
106.07311	1.1
115.05460	12.3
118.04157	4.3
131.04913	4.4
132.05707	1.4
133.06480	59.9
137.05986	1.1
143.06035	5.0
147.04430	1.0
148.05191	2.0
150.27455	0.7
159.20885	1.0
160.31653	0.7
161.05960	100.0
162.06345	1.4
163.07549	3.1
179.33672	0.8
184.04956	2.4
185.04147	1.5
191.07011	15.1
193.08582	66.0
194.08942	2.0
215.06747	8.4
248.11433	0.9
265.12103	1.9
266.12503	2.7
351.11914	1.1
389.75238	0.9
411.14130	31.6
412.14459	1.9
432.74008	0.8
573.18848	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	573.2307
Annotation	Kadsurarin
Peak:m/z	Relative Intensity
69.07069	0.2
81.07046	0.7
85.02902	0.5
87.00821	0.3
91.05477	0.3
91.66553	0.2
95.08595	0.5
105.07027	0.3
107.08582	0.4
111.08092	0.3
114.76067	0.3
163.03946	0.4
173.48842	0.2
201.80803	0.2
210.06737	0.3
242.51022	0.2
280.13193	0.3
307.26288	0.3
325.27103	0.3
365.08368	1.7
529.26263	0.7
550.69543	0.3
573.23016	100.0
574.23303	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	574.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67883	1.4
54.30331	1.4
55.01866	3.4
64.98322	1.4
65.03925	6.3
70.68634	2.9
79.05470	1.8
89.03931	2.2
91.05481	5.1
93.03398	11.7
103.05475	2.5
107.04946	7.6
109.02837	1.9
111.04437	31.2
115.05431	4.9
119.04945	2.7
119.15198	1.6
123.04453	3.3
131.04898	8.2
135.04408	29.5
137.02330	24.6
137.05980	2.3
138.20952	1.7
139.03888	67.7
140.04605	2.3
143.04895	8.8
147.04391	2.6
149.54599	1.5
151.03879	5.5
152.06152	2.4
153.05457	2.4
159.04390	6.2
161.05981	2.3
163.03871	21.1
163.27170	1.6
165.06998	6.7
167.08522	8.2
169.06458	4.9
171.06499	1.7
175.03940	5.6
177.05563	1.8
177.06990	5.8
178.07780	1.4
179.08583	3.3
180.75055	1.5
181.04941	100.0
181.06221	3.5
187.03891	17.7
193.06503	5.3
195.08066	11.4
197.06015	7.8
199.05908	2.1
199.07526	6.5
203.03247	1.7
205.04846	2.1
205.06483	18.5
211.07529	8.6
213.09100	6.9
221.05968	12.5
223.07516	71.7
224.08000	2.2
225.05414	5.1
233.05956	16.6
234.06375	1.5
237.82387	1.4
239.07039	22.2
241.04875	1.9
241.08611	22.0
249.05489	26.3
250.05829	2.0
251.07013	44.1
252.07497	1.6
253.04964	8.0
257.08136	2.1
261.05331	4.2
267.06485	19.6
269.08078	23.1
274.54974	1.8
277.04987	8.6
279.06500	22.4
285.07513	11.0
295.05920	28.4
297.07462	13.6
306.89063	1.7
313.07022	13.4
315.61917	1.9
323.05466	7.6
331.07831	3.8
341.06543	40.1
342.06876	2.2
471.13525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
65.03937	4.4
69.16545	5.0
70.06609	1.3
79.05487	1.1
81.03424	2.1
85.02916	1.4
91.05476	3.6
93.03409	9.8
95.04962	2.3
103.05473	3.8
105.07027	3.5
107.04935	5.6
111.04440	25.0
115.05453	3.6
119.04945	4.0
123.04433	3.0
131.04924	6.1
133.02808	2.7
135.04402	22.7
137.02330	8.9
137.06001	5.8
137.82594	1.3
139.03891	53.9
139.59254	1.2
140.04625	1.3
141.06989	1.7
143.04921	4.9
145.02850	1.4
147.04424	6.9
149.05998	4.5
151.03917	1.7
152.06229	1.3
153.05453	1.8
159.04439	3.1
161.06017	1.7
163.03900	21.3
163.05156	2.1
164.96210	1.1
165.07007	5.3
167.08522	6.2
169.06482	3.4
175.03883	28.1
177.05551	2.2
177.07036	5.3
179.03365	1.3
179.07092	1.6
181.04950	100.0
182.05327	1.4
187.03905	9.8
193.06511	5.3
195.08066	14.3
197.05977	10.0
199.05972	2.4
199.07576	8.3
203.03464	3.5
205.04866	2.2
205.06490	10.7
207.08040	2.5
211.07518	7.5
213.05498	1.3
213.09006	5.4
221.06032	10.5
223.07516	38.3
224.07912	1.5
225.05450	2.6
231.02785	2.7
233.05959	8.5
239.06967	16.7
241.08577	17.5
249.05525	15.2
250.06169	1.3
251.07037	23.0
253.04947	3.6
257.08105	1.3
261.05402	2.8
267.06506	15.6
269.08035	16.1
277.04935	6.3
279.06464	11.4
285.07541	15.6
295.06018	30.0
297.07541	8.1
313.07010	22.4
323.05591	6.2
325.09213	1.3
331.08118	3.9
341.06567	18.8
343.10123	2.6
359.07269	1.7
563.12128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53973	1.7
58.49271	1.7
67.30592	1.9
71.42568	2.1
78.54493	1.8
79.05483	2.0
80.00311	1.9
81.07043	1.8
89.03910	2.3
91.05463	3.5
96.99290	2.2
102.58829	1.8
107.05001	3.3
109.06536	2.3
117.03368	6.0
123.04418	7.2
127.03963	1.8
130.17180	1.6
131.10225	1.8
135.04416	11.2
137.05968	59.9
145.02831	8.5
163.03893	100.0
165.05467	49.7
197.08090	24.0
361.92294	2.2
460.28827	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74090	13.4
54.73679	15.5
69.92966	39.6
79.82598	15.7
89.75812	13.7
93.38731	14.5
104.15222	13.8
111.27197	15.5
134.15149	16.4
233.09668	24.9
261.09119	60.0
277.08572	100.0
278.08978	68.0
279.10275	26.2
509.34274	18.3
538.17688	17.7
551.17450	16.4
573.48639	20.1
592.31421	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	575.1733
Annotation	Pabularin C
Peak:m/z	Relative Intensity
57.18132	0.6
57.90206	0.4
64.26503	0.5
69.03441	0.7
70.06599	0.6
82.18358	0.5
82.22037	0.5
84.41258	0.5
87.04480	0.7
95.04928	0.6
104.07094	1.0
105.07037	0.6
117.03403	0.5
135.04387	1.3
137.05991	2.0
145.10052	0.7
163.03912	4.6
164.04153	1.1
175.71739	0.5
189.05063	0.5
215.10753	0.6
215.44118	0.5
337.46774	0.5
371.69727	0.5
391.75919	0.5
439.09747	0.6
557.16254	3.8
575.17230	100.0
576.17609	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	575.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56553	3.2
67.05500	4.3
68.32252	2.5
71.44190	2.9
140.09796	2.6
141.07053	5.5
147.67236	2.8
165.07039	2.6
167.43861	2.7
169.06491	12.1
189.07072	3.3
190.07706	13.5
192.09276	4.5
193.10213	4.9
197.05969	5.8
202.07774	6.2
203.08592	3.2
205.04675	2.9
205.10118	27.3
209.09665	6.3
218.07208	7.4
221.09572	4.1
227.06973	3.0
233.09589	61.6
235.11092	5.3
237.09094	3.9
249.09073	3.9
251.07039	4.0
256.26358	10.4
257.26590	10.4
261.09097	57.4
263.10754	6.1
277.08521	38.4
279.10141	100.0
280.10574	4.6
285.09421	3.5
293.11459	3.4
301.12115	3.2
331.13135	6.3
345.14835	4.8
360.13370	3.2
361.14603	3.4
378.14120	3.7
423.13712	6.4
435.13684	3.2
451.13330	15.2
453.15341	3.4
471.15826	13.6
479.12766	12.4
497.13763	52.9
498.14301	5.0
499.15359	6.1
511.18976	4.3
515.14716	7.3
521.17169	5.5
529.20203	6.5
539.18451	54.4
557.19568	18.5
575.27228	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	575.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94942	1.3
52.26468	1.2
52.43175	1.2
54.44408	1.2
61.04437	1.1
69.74280	4.0
81.07059	2.5
82.24303	1.0
93.07044	1.2
100.05818	1.2
140.06216	1.2
152.55161	1.1
165.07066	1.2
169.06448	3.7
178.07704	1.2
179.08437	1.9
183.08012	1.6
190.07796	1.8
191.08528	2.4
197.37390	1.3
202.07784	1.3
203.08627	2.3
204.09364	1.6
205.10118	3.3
208.08853	1.9
209.09581	7.1
211.07596	2.0
218.07286	2.0
223.07484	4.4
227.07048	1.4
229.08469	1.3
231.08112	1.3
233.09497	7.1
235.07487	1.9
236.08470	1.6
237.09055	2.1
249.09143	1.9
251.07036	3.7
251.10649	1.5
255.10146	3.5
257.09653	1.6
261.08975	7.0
263.10663	1.8
271.11130	1.5
273.09036	1.2
277.08551	16.1
279.10132	100.0
280.10376	3.4
317.11700	3.6
323.10718	1.9
341.11655	4.1
391.13043	2.4
411.13171	1.7
427.16769	3.1
437.15451	1.8
445.17719	2.9
455.11832	1.9
455.16916	1.6
456.46979	1.2
465.14642	1.9
466.15900	2.5
473.17651	3.3
483.16217	5.5
491.18228	1.7
501.17291	10.8
511.15479	5.0
519.21539	2.5
529.16675	15.6
539.18323	5.6
547.21417	6.4
557.19507	33.2
558.19470	2.0
575.20386	38.2
575.49994	1.6
576.20837	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39697	0.4
69.46815	0.5
70.00735	1.1
70.01081	0.8
90.09867	0.4
103.42667	0.5
159.04153	2.4
196.00209	0.4
203.06897	0.5
271.09402	0.8
286.11810	3.1
319.11581	0.6
347.11325	0.6
348.11884	1.8
431.16650	1.4
473.17859	0.7
513.20911	22.4
514.21112	1.3
515.18896	1.3
557.19470	1.1
575.20959	100.0
576.21210	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	575.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73197	0.8
55.81926	0.8
61.04241	0.8
63.02370	0.7
69.64186	2.5
88.23988	0.7
100.87415	0.7
114.58546	0.8
115.80476	0.8
132.86078	0.8
139.03787	1.0
140.04445	1.0
149.57626	0.8
156.62202	0.9
189.05200	9.0
190.06007	1.0
203.06837	1.3
216.07664	1.8
234.08647	1.1
276.09717	0.9
287.02234	0.8
301.10516	3.2
316.12848	11.9
317.13596	1.4
363.10724	3.0
369.36087	0.9
377.11926	1.2
378.12875	6.9
431.16980	1.1
513.20929	16.6
514.21112	1.4
531.97028	0.9
557.19513	1.3
575.20953	100.0
576.21338	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	575.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21361	0.3
69.18086	2.3
118.98124	0.3
139.03703	0.4
140.04427	0.8
176.34642	0.4
178.61537	0.4
185.05791	0.5
189.05223	7.5
190.06024	1.0
194.09404	0.5
201.05283	0.7
203.06900	0.7
216.07570	1.6
217.08339	0.6
234.08640	1.0
235.09360	0.4
264.31564	0.3
273.60104	0.3
276.09689	0.4
287.12491	1.2
301.10458	3.0
315.12204	1.0
316.09076	0.8
316.12781	14.8
317.13589	1.4
318.10660	0.4
349.12646	1.0
359.10904	0.5
363.10492	2.8
377.12051	1.4
378.12793	5.9
378.17245	0.5
379.13474	0.7
431.16565	1.1
452.12393	0.7
453.12323	1.6
513.20929	19.1
514.21167	1.1
515.18866	1.0
539.98584	0.4
557.19897	1.1
575.21027	100.0
576.21045	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	575.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40808	2.9
55.05526	5.0
58.02811	2.9
67.05508	10.4
69.07079	4.8
69.73141	6.4
69.73535	6.9
76.94158	3.0
79.05486	5.6
81.03415	4.4
81.07058	10.7
91.05489	11.9
93.07035	11.0
95.08588	5.8
95.19113	3.3
98.23332	4.2
105.07044	7.1
107.08549	8.5
119.08544	4.7
121.10135	3.6
131.08511	3.2
133.10153	3.9
145.10120	4.1
150.84169	3.0
162.19870	3.2
193.78772	3.3
239.06810	100.0
258.26117	3.1
275.20026	4.7
375.12039	36.9
385.21579	2.9
573.52643	3.4
574.49426	3.7
575.22668	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.9
59.22149	0.3
67.05508	0.8
67.97682	0.3
69.19351	1.3
69.19775	0.8
71.31805	0.5
73.24194	0.4
79.05475	1.5
81.07049	1.4
83.04984	0.8
85.06552	0.4
91.05467	3.3
93.07043	2.2
94.13866	0.4
95.04933	2.0
95.08582	0.5
97.06509	0.5
101.06003	0.4
105.07020	2.9
107.04941	0.6
107.08588	1.0
109.06492	0.9
111.92537	0.4
115.05438	0.7
117.06998	1.9
119.08556	1.4
121.10143	0.7
123.08006	0.5
127.00023	6.7
128.06171	0.9
129.07010	1.0
130.07768	0.6
131.04791	0.3
131.08540	2.3
133.06491	1.7
133.07410	0.4
133.10135	0.6
141.06883	0.4
143.08549	1.4
145.06398	0.5
145.10104	3.2
147.08109	0.4
149.09705	0.6
155.08565	1.1
157.10181	0.5
159.11635	0.6
166.08412	0.4
171.08044	0.4
171.11772	0.7
173.09602	2.4
215.10419	1.0
223.09410	7.1
253.12022	1.4
259.13107	0.8
271.13019	24.1
272.13370	0.9
289.14120	3.0
313.14078	1.5
331.15128	20.7
332.15326	1.0
357.13168	0.8
375.14087	100.0
376.14462	3.0
398.36206	0.4
575.24438	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
55.47527	1.3
57.07078	4.0
67.05512	4.5
69.07067	2.4
69.86156	3.7
69.86501	1.7
79.05482	2.3
81.07058	4.5
83.63339	1.5
85.06555	2.7
87.04453	17.4
88.04777	1.5
88.93111	1.8
91.05485	7.3
93.07029	7.2
95.08604	3.2
103.85241	1.3
105.07019	14.3
107.08614	2.6
109.10201	1.6
112.89553	1.3
117.07048	6.8
119.08559	8.7
121.10116	1.3
131.08601	2.7
133.10176	6.7
145.10159	5.4
159.11708	10.1
161.13240	9.4
183.06264	18.0
201.16396	3.4
223.09525	2.0
241.15691	5.7
283.11502	100.0
284.11896	1.6
315.19296	25.1
343.55371	1.5
468.46304	1.6
575.31873	44.3
575.40582	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12344	4.3
55.01868	6.4
55.03587	3.9
55.05505	30.8
56.96548	6.5
57.03423	4.5
57.07069	12.1
61.47622	3.9
63.20990	4.5
67.05499	23.6
67.70129	3.6
68.99774	4.4
69.03428	21.3
69.06711	7.0
69.07063	100.0
69.24607	22.9
71.04992	6.3
79.05481	19.7
80.42769	3.6
81.03416	17.8
81.07052	78.1
83.08606	26.2
85.02905	41.3
85.06540	10.6
87.00833	16.1
88.26378	3.9
91.05463	15.6
93.07049	26.3
95.04936	3.9
95.08588	84.2
97.02892	18.1
97.06531	7.4
97.10165	9.0
99.04462	9.6
99.08089	14.8
105.01862	16.5
105.07018	15.3
107.08588	31.1
109.02888	15.1
109.10150	33.3
111.04501	4.3
111.08073	4.6
111.11705	25.4
119.08596	14.1
121.10138	19.5
123.11697	18.2
127.03889	34.9
131.08568	7.3
133.10164	11.2
133.25511	4.0
135.11674	15.3
137.13264	21.1
139.11198	9.0
144.93352	4.4
145.04959	9.3
147.11676	8.4
148.30066	3.9
149.13258	24.5
161.13289	6.3
163.14795	12.4
177.16385	4.7
205.04712	6.6
231.04930	8.3
273.25671	7.5
279.26834	6.1
291.26599	22.4
297.27896	61.4
309.27832	49.1
327.28879	14.1
346.66812	4.8
417.29398	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	576.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
55.05508	13.5
56.86166	0.7
60.24069	0.7
65.03922	1.3
65.40603	0.6
66.41101	0.5
69.03426	0.9
70.45145	0.7
70.45490	1.1
72.38489	0.6
73.06551	6.2
79.49188	0.6
81.03411	1.7
85.02888	3.0
87.00836	1.2
90.14560	0.5
91.05460	0.8
97.02882	1.9
99.04413	0.9
105.01859	1.2
109.02877	1.4
121.02863	1.8
127.03897	1.6
129.07014	1.3
131.08577	1.2
137.05986	0.8
145.02884	0.7
145.04938	1.0
147.04381	1.3
148.63513	0.6
149.02330	100.0
150.02701	2.0
159.02890	0.7
161.05969	3.3
163.03923	1.4
175.07533	10.6
184.32854	0.7
203.07016	15.1
207.06427	1.8
221.08072	7.0
275.12766	8.2
293.13800	47.8
294.13867	1.4
328.12656	1.3
401.44089	0.7
402.77927	0.6
445.41296	0.7
576.26471	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	576.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05508	31.6
57.03432	0.8
69.03410	2.3
69.12940	3.5
71.05011	0.6
73.06538	1.1
77.40687	0.5
79.86772	0.4
81.03412	3.5
83.04974	100.0
84.05296	0.9
84.36826	0.6
85.02898	2.0
97.02891	7.5
99.03886	0.6
99.04466	2.0
101.06006	14.2
101.17691	0.6
103.49131	0.6
105.07036	0.5
109.02879	3.4
115.50703	0.6
115.66798	0.6
119.04943	0.7
127.03906	4.2
129.23711	0.5
136.02550	0.6
137.05989	2.4
145.04932	2.0
145.10075	0.5
147.04356	3.1
163.03915	1.0
177.05472	0.7
179.07050	1.1
183.10155	17.2
191.62207	0.6
201.11241	2.5
209.08038	0.8
227.09120	25.6
245.10181	9.3
287.05585	1.0
345.15710	0.7
576.20947	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	576.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01862	2.8
55.05509	5.5
60.08134	1.0
61.02932	1.5
67.05504	11.6
69.03428	7.5
69.07074	4.9
69.30283	2.7
69.30695	2.5
69.38491	0.9
71.04980	3.9
73.02921	1.6
79.05489	14.4
81.03413	7.2
81.07057	10.0
83.04972	6.0
83.08614	3.1
85.02906	15.6
87.00838	6.3
88.22424	1.1
91.05483	12.1
93.07044	11.3
94.06554	3.8
95.04958	3.2
95.08611	6.1
97.02911	5.0
97.06527	5.6
97.10173	3.5
98.23428	2.1
99.04463	3.3
103.05473	2.6
105.01837	4.5
105.07034	9.2
107.08590	7.8
108.08115	4.0
108.08791	1.1
109.02861	3.9
109.10146	3.0
111.08044	1.2
117.07024	3.2
118.06525	1.9
119.07295	1.3
119.08607	5.7
120.07302	1.5
120.08105	18.0
121.10108	5.3
122.06030	17.1
123.11684	1.4
125.09648	2.6
127.03931	9.0
129.07019	1.7
131.08585	5.2
131.47173	0.9
133.10141	5.1
135.11732	1.8
136.07576	6.0
141.07016	1.3
143.08549	1.6
145.04918	5.0
145.10138	4.5
146.05945	1.2
147.11745	2.5
148.07573	30.9
149.13319	1.6
150.09154	1.8
152.07065	3.6
157.10161	2.4
159.02907	2.6
159.11710	2.3
160.07581	1.1
161.13225	1.2
164.07059	3.6
165.12811	1.2
166.08583	1.5
189.11200	3.5
190.04921	1.3
209.10643	1.0
210.11491	1.9
211.12337	2.8
220.09908	2.5
221.10670	1.5
222.11461	2.8
223.12283	5.5
224.09262	1.4
225.10222	2.6
227.11848	1.3
231.04994	1.8
235.08701	4.4
235.12334	5.4
236.09323	2.7
236.13071	1.8
237.10222	7.0
237.13878	1.8
238.10910	3.1
239.11748	7.3
239.17973	2.3
247.08522	1.5
248.09323	7.4
249.10237	17.9
250.10977	8.8
251.11804	11.9
252.08740	5.5
252.12430	1.4
253.13234	2.3
255.11494	1.7
257.18964	4.3
261.10550	1.2
262.10919	3.1
263.11798	36.0
264.09464	1.5
264.12485	8.7
265.09695	5.4
265.13336	14.4
266.10501	1.5
267.11197	5.2
270.98355	1.1
275.12088	2.3
275.20059	14.7
277.09671	4.5
278.10349	6.4
279.11197	13.4
280.11911	2.5
281.12811	3.8
283.10828	2.4
291.11261	30.2
292.11926	6.7
293.12851	18.5
293.21014	8.6
295.10690	5.2
297.12222	2.2
299.14236	1.1
307.10944	2.2
309.12286	15.3
310.12994	1.5
310.90067	1.2
311.22168	1.6
319.10712	18.0
320.10855	1.6
321.12161	1.4
323.10117	1.2
325.11792	16.0
326.12604	1.3
330.15695	1.4
337.11810	100.0
338.12228	4.3
339.13193	1.8
351.13434	3.4
355.17133	1.3
369.14636	1.7
400.20200	1.5
428.19647	2.8
430.17487	1.9
444.19247	3.9
446.20630	1.4
460.22116	1.8
472.18628	11.0
486.19614	1.2
488.21854	4.5
490.19858	5.6
504.21082	3.6
514.19843	2.1
532.20685	13.5
534.18329	1.8
548.20062	3.9
558.18915	1.7
576.19720	15.4
577.20020	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01862	2.8
55.05509	5.5
60.08134	1.0
61.02932	1.5
67.05504	11.6
69.03428	7.5
69.07074	4.9
69.30283	2.7
69.30695	2.5
69.38491	0.9
71.04980	3.9
73.02921	1.6
79.05489	14.4
81.03413	7.2
81.07057	10.0
83.04972	6.0
83.08614	3.1
85.02906	15.6
87.00838	6.3
88.22424	1.1
91.05483	12.1
93.07044	11.3
94.06554	3.8
95.04958	3.2
95.08611	6.1
97.02911	5.0
97.06527	5.6
97.10173	3.5
98.23428	2.1
99.04463	3.3
103.05473	2.6
105.01837	4.5
105.07034	9.2
107.08590	7.8
108.08115	4.0
108.08791	1.1
109.02861	3.9
109.10146	3.0
111.08044	1.2
117.07024	3.2
118.06525	1.9
119.07295	1.3
119.08607	5.7
120.07302	1.5
120.08105	18.0
121.10108	5.3
122.06030	17.1
123.11684	1.4
125.09648	2.6
127.03931	9.0
129.07019	1.7
131.08585	5.2
131.47173	0.9
133.10141	5.1
135.11732	1.8
136.07576	6.0
141.07016	1.3
143.08549	1.6
145.04918	5.0
145.10138	4.5
146.05945	1.2
147.11745	2.5
148.07573	30.9
149.13319	1.6
150.09154	1.8
152.07065	3.6
157.10161	2.4
159.02907	2.6
159.11710	2.3
160.07581	1.1
161.13225	1.2
164.07059	3.6
165.12811	1.2
166.08583	1.5
189.11200	3.5
190.04921	1.3
209.10643	1.0
210.11491	1.9
211.12337	2.8
220.09908	2.5
221.10670	1.5
222.11461	2.8
223.12283	5.5
224.09262	1.4
225.10222	2.6
227.11848	1.3
231.04994	1.8
235.08701	4.4
235.12334	5.4
236.09323	2.7
236.13071	1.8
237.10222	7.0
237.13878	1.8
238.10910	3.1
239.11748	7.3
239.17973	2.3
247.08522	1.5
248.09323	7.4
249.10237	17.9
250.10977	8.8
251.11804	11.9
252.08740	5.5
252.12430	1.4
253.13234	2.3
255.11494	1.7
257.18964	4.3
261.10550	1.2
262.10919	3.1
263.11798	36.0
264.09464	1.5
264.12485	8.7
265.09695	5.4
265.13336	14.4
266.10501	1.5
267.11197	5.2
270.98355	1.1
275.12088	2.3
275.20059	14.7
277.09671	4.5
278.10349	6.4
279.11197	13.4
280.11911	2.5
281.12811	3.8
283.10828	2.4
291.11261	30.2
292.11926	6.7
293.12851	18.5
293.21014	8.6
295.10690	5.2
297.12222	2.2
299.14236	1.1
307.10944	2.2
309.12286	15.3
310.12994	1.5
310.90067	1.2
311.22168	1.6
319.10712	18.0
320.10855	1.6
321.12161	1.4
323.10117	1.2
325.11792	16.0
326.12604	1.3
330.15695	1.4
337.11810	100.0
338.12228	4.3
339.13193	1.8
351.13434	3.4
355.17133	1.3
369.14636	1.7
400.20200	1.5
428.19647	2.8
430.17487	1.9
444.19247	3.9
446.20630	1.4
460.22116	1.8
472.18628	11.0
486.19614	1.2
488.21854	4.5
490.19858	5.6
504.21082	3.6
514.19843	2.1
532.20685	13.5
534.18329	1.8
548.20062	3.9
558.18915	1.7
576.19720	15.4
577.20020	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82646	1.1
71.43260	1.0
95.08599	1.3
96.09795	1.1
101.43847	1.2
106.58621	1.3
117.68448	1.2
147.85196	1.3
169.06479	3.6
179.23494	1.2
183.08040	1.7
190.07747	1.6
205.10097	4.8
209.09552	3.0
211.07463	1.8
223.07489	3.0
233.09641	5.9
251.07132	1.6
251.10532	3.4
261.09097	6.6
263.10895	2.3
271.11105	1.4
275.10492	1.3
279.10123	100.0
280.10474	4.0
281.11670	5.2
289.39557	1.4
374.67865	1.3
375.13760	1.4
393.14636	4.0
421.13922	1.7
467.15952	1.7
485.17465	6.9
503.18491	18.7
504.19275	1.4
513.17078	4.8
531.18335	13.0
541.19751	3.2
559.21204	34.1
560.22052	3.0
577.22089	24.6
578.21893	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78603	0.8
57.23849	0.9
67.05516	0.9
111.64260	1.1
142.40144	0.8
165.07048	1.8
166.07765	1.8
167.08440	1.4
169.06461	2.9
181.10097	1.5
183.07935	1.0
190.07809	1.4
193.06506	1.6
195.08093	1.3
202.07726	1.1
205.10141	3.1
207.07956	1.1
208.08807	1.7
209.09520	4.5
215.08533	1.4
218.07347	1.4
223.07588	2.6
229.08429	1.4
233.09586	5.4
236.08237	1.8
237.09085	2.4
251.07030	2.6
251.10690	2.0
255.10030	1.1
261.09091	6.5
263.10580	1.2
271.11008	1.1
275.10696	1.7
279.10126	100.0
280.10468	4.0
281.11780	3.0
299.10757	1.5
311.10931	1.0
317.11688	1.2
393.14722	4.0
406.61929	1.3
421.14410	1.4
457.18283	1.2
467.16470	2.3
485.17584	6.5
503.18558	17.0
505.75745	1.1
513.17218	2.9
531.21112	12.3
541.20050	3.2
559.21106	37.8
560.21106	2.3
577.22168	27.7
578.22510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.262
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97129	0.4
67.05486	0.7
68.51471	0.5
77.31207	0.6
79.05479	1.6
81.07032	0.8
83.04979	1.0
83.66631	0.5
91.05476	2.6
93.07040	2.1
95.04949	2.5
95.08585	0.8
97.06551	0.7
105.07011	3.1
109.06501	0.6
117.07010	2.0
119.08564	1.7
121.10088	0.5
127.00031	5.7
128.06236	0.9
129.06998	1.2
131.08559	2.0
133.06476	1.4
133.10121	1.0
143.08546	1.4
143.96744	0.5
145.10141	2.8
147.08090	0.6
147.39178	0.5
155.08519	0.7
156.63025	0.5
157.10147	0.7
173.09616	2.1
215.10376	1.2
225.10939	5.4
253.11829	1.2
255.13544	0.6
259.13052	0.9
271.13025	20.9
289.14157	3.3
313.14124	1.1
331.15131	20.7
361.53439	0.5
375.14117	100.0
376.14276	4.0
378.56525	0.6
577.26196	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	577.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27318	0.4
55.05503	0.9
65.03925	1.2
67.88986	0.5
69.03419	1.6
69.30032	1.3
69.30438	1.1
69.51751	0.5
74.44336	0.5
77.03882	0.6
79.05473	1.1
81.03407	1.9
81.07044	1.0
85.02885	0.9
91.05473	16.0
93.07055	0.9
95.08618	0.7
97.02856	0.6
105.07012	1.3
107.04917	0.7
107.08593	2.5
109.02847	0.9
109.10164	1.0
117.03416	0.6
117.06968	0.4
119.04939	24.0
119.08560	0.7
121.10121	2.0
122.07256	0.8
127.03949	0.5
129.03389	0.5
129.07011	0.4
132.02072	1.2
133.10110	14.2
135.04378	0.6
135.08026	1.1
136.05211	0.5
137.09599	7.2
147.04398	24.6
148.04861	0.5
149.02304	0.6
149.13254	1.2
157.04004	3.0
163.03920	0.5
164.04666	0.5
173.13243	0.7
175.03894	41.9
176.04222	0.6
177.05524	0.6
179.07042	1.7
191.14284	5.6
192.04143	1.1
207.06508	100.0
208.06808	1.8
225.07478	0.5
261.36227	0.5
351.10632	3.2
369.11755	4.6
494.87930	0.4
516.08429	0.4
538.34259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46431	7.3
59.38830	7.4
63.16761	7.6
64.32507	7.5
71.43208	10.2
73.54100	7.4
79.05482	8.1
93.07015	13.5
107.95058	8.1
116.27023	8.0
133.10141	9.8
137.00481	6.8
171.05647	7.0
236.87709	7.4
237.45270	8.1
299.08853	71.9
317.15024	19.6
412.55161	6.8
471.00375	7.8
520.39758	8.1
577.27698	100.0
577.40936	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	577.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07091	0.5
55.05469	1.4
55.71696	0.5
57.07042	1.0
67.05463	1.5
69.07014	0.9
71.04939	1.1
71.43160	0.5
79.05479	5.2
81.07011	2.2
83.04932	1.4
91.05441	5.5
93.07029	7.3
95.04916	2.0
95.08574	0.9
101.05984	1.3
105.07017	5.1
105.83183	0.8
107.08589	4.1
109.10120	0.8
117.07004	4.6
119.08513	2.5
121.09973	0.8
123.04165	0.7
128.06200	1.0
129.06953	1.7
131.08519	2.2
133.06412	0.6
133.10071	2.1
135.11612	1.8
142.07802	1.1
143.08517	1.2
144.09311	0.6
145.10095	1.0
147.11659	0.8
156.42712	0.6
157.10063	2.5
159.11656	4.5
175.11288	0.8
175.14746	0.6
183.04707	1.2
183.06250	15.8
223.09392	2.5
257.15103	5.7
283.11478	100.0
284.11835	1.8
317.17184	34.4
318.17557	1.1
349.24908	0.6
451.65701	0.6
456.23380	0.6
506.71646	0.6
577.29816	40.4
578.30139	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	1.7
60.15055	0.5
63.69114	0.6
67.05470	1.6
69.07025	1.2
71.04979	0.6
79.05488	4.8
81.07011	2.1
83.04942	1.9
91.05470	3.3
93.06537	0.5
93.07034	6.0
95.04940	0.9
95.08566	1.0
99.04405	0.7
101.05985	0.6
105.06437	0.5
105.07014	5.1
107.08565	3.2
115.05450	1.0
117.07024	5.0
119.08568	3.1
121.10102	0.8
123.04220	0.7
128.06163	0.7
129.06940	1.6
130.94279	0.5
131.08546	2.4
132.27556	0.5
133.10126	2.5
135.08075	0.6
135.11633	1.7
142.07724	1.1
143.08514	1.0
144.09328	0.9
145.10088	0.9
147.11655	1.0
157.10101	1.2
159.11702	4.9
161.09569	0.8
177.12561	0.5
183.04723	0.9
183.06285	15.2
193.05096	0.5
217.15776	0.6
223.09311	1.5
241.10379	0.7
257.15106	6.9
283.11490	100.0
284.11792	2.1
298.18030	0.7
317.17200	40.8
318.17459	0.6
341.15936	0.5
417.22247	1.0
577.29736	44.3
578.29694	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	577.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.1
55.01854	8.7
55.05503	32.6
57.07069	13.7
67.05493	43.0
69.03420	41.0
69.07073	52.8
70.05096	11.0
70.05428	9.1
70.06616	6.1
72.50505	5.5
76.00799	5.6
79.05470	13.7
81.03408	17.8
81.07043	92.0
83.04988	7.1
83.08616	23.2
85.02903	68.3
85.06543	15.1
86.68261	6.9
87.00820	34.6
93.07024	21.7
95.04977	9.5
95.08598	100.0
97.02880	22.6
97.10150	15.7
98.22630	6.4
99.04433	18.7
99.08106	9.2
105.01868	31.8
105.07022	10.8
107.08568	23.1
109.02869	21.4
109.10150	65.2
111.11682	13.9
121.10124	20.6
123.11680	29.9
127.03910	52.1
129.01796	7.1
135.11687	13.8
137.13232	19.1
145.04977	23.1
145.10057	8.6
149.13220	21.4
151.14819	24.1
156.14957	6.3
159.02858	7.1
159.11705	9.9
163.03877	7.7
163.14792	13.7
165.16394	8.1
179.17935	9.5
231.05048	17.4
275.27271	9.5
293.28354	22.1
311.29410	15.3
342.59106	6.3
401.30176	7.4
559.26074	6.7
577.19427	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	578.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60598	1.7
55.05488	1.8
65.03931	1.7
69.13246	8.3
75.96259	1.7
81.51505	1.8
83.08606	2.6
84.04504	1.7
85.02882	3.5
87.03978	2.7
87.04465	41.7
89.03898	5.1
91.05463	3.6
95.04955	3.2
98.06091	2.0
100.11248	9.7
104.04996	3.0
107.04940	3.5
111.47584	1.7
117.03360	6.8
118.06549	3.1
122.25609	1.8
123.04420	32.2
129.06979	2.3
131.37408	1.7
132.04446	3.1
133.05228	2.0
135.04417	16.4
136.03946	1.9
137.02342	3.0
140.10704	2.6
144.04443	4.4
145.02870	9.1
145.03871	1.9
145.05222	4.0
146.06012	41.8
147.04424	1.9
148.03862	3.0
156.04445	5.3
158.06087	3.0
162.05489	6.9
163.03893	81.1
166.15982	1.6
168.10234	1.8
168.13826	3.1
169.08604	1.8
173.06071	2.2
174.05487	27.7
175.07498	2.1
190.05035	2.1
202.04982	15.1
210.14810	3.3
220.07626	3.9
228.15829	2.0
236.07019	3.6
236.47946	2.1
237.07814	3.6
238.08574	4.7
254.08092	27.1
255.08763	2.9
264.06406	2.0
265.07190	3.1
266.08112	53.1
267.08789	10.2
267.20804	1.8
270.07590	3.7
280.09695	10.8
282.07587	13.8
283.08340	30.1
284.09155	60.7
294.07538	6.3
295.19968	2.4
296.08881	2.6
297.09457	3.3
310.07089	7.5
311.07822	50.4
312.08652	12.6
329.08685	3.0
330.09576	7.1
352.11789	3.0
353.12524	28.4
354.13211	2.5
370.12778	34.5
380.10950	2.3
398.12314	94.8
399.12631	3.6
400.01208	2.0
411.33023	2.4
415.12424	2.4
416.13425	15.2
491.12119	45.4
492.12775	11.7
577.21387	2.4
578.16211	100.0
578.42627	10.3
579.16302	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	578.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.5
57.03429	2.8
61.02922	2.3
61.61781	0.9
69.03434	2.5
69.17170	6.8
70.06580	1.2
71.04986	47.9
74.73368	1.0
75.04465	4.4
81.03407	2.4
83.04977	32.0
85.02900	16.3
87.04460	6.3
91.05480	2.2
97.02893	3.9
98.23486	2.2
99.04465	2.1
105.06974	1.1
105.14391	1.1
109.02837	1.5
111.04432	57.6
113.05998	22.1
115.03915	3.7
116.39878	1.0
117.03384	2.0
117.05491	9.5
119.04973	2.1
127.03920	4.2
128.07047	1.2
129.05466	79.4
135.04428	2.3
140.17000	1.1
145.02809	1.3
146.08104	1.8
148.80728	1.0
151.07535	13.4
153.05505	1.4
163.03860	10.2
163.07477	1.1
164.04253	1.9
169.08611	3.0
171.06514	26.1
177.05486	1.6
179.07152	1.8
181.04944	1.2
187.06061	1.7
189.07556	100.0
190.07950	1.5
205.07059	4.9
211.02791	2.9
229.03906	1.0
232.04095	1.2
234.96942	1.7
237.00716	1.8
244.13158	1.2
252.98010	2.8
253.98181	2.3
255.01778	1.6
261.11185	1.5
287.05460	4.1
288.05872	4.7
315.67474	1.0
378.98581	2.0
379.99075	4.4
390.73557	1.1
417.05225	1.4
516.57617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.8
57.03426	3.7
61.02922	2.2
69.03418	5.7
69.15450	4.7
69.15872	5.7
71.04989	51.7
75.04470	4.4
80.65681	1.6
81.03405	4.2
83.04977	40.3
85.02406	2.2
85.02900	36.7
87.04449	5.5
91.05467	2.1
91.86311	1.6
97.02904	4.0
99.04453	2.1
101.06036	2.8
109.02845	5.8
111.04436	66.3
113.05991	24.7
115.03929	4.6
117.05494	8.6
127.03893	7.5
129.05470	89.3
137.05914	2.3
151.07509	7.0
152.74767	1.6
153.05429	1.8
160.15439	1.6
165.09120	3.1
171.06522	48.8
173.04317	1.7
187.06017	2.5
189.07562	100.0
193.08595	3.4
205.07045	2.3
231.08553	3.4
259.09631	5.2
277.10629	7.8
280.68262	1.5
295.09628	3.7
297.09558	1.8
331.15170	2.1
337.12427	1.7
588.28284	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05510	4.7
57.03425	1.7
67.05509	1.3
67.18589	0.6
69.03418	1.1
69.13593	3.4
71.01331	0.5
76.80409	0.5
81.03403	1.0
83.04468	1.0
83.04976	37.4
85.02899	100.0
86.03230	1.0
87.04469	0.7
91.05493	0.6
97.02902	1.1
99.07415	0.5
108.04498	0.6
109.02896	2.5
111.04438	22.8
127.03909	7.9
129.05473	10.0
145.04878	0.7
151.07527	0.6
167.00285	0.6
171.06516	92.1
172.06859	1.9
180.17809	0.5
189.07567	44.0
190.07860	0.9
217.36954	0.5
259.09747	0.6
375.12650	1.4
420.27304	0.6
462.90262	0.6
578.19885	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	578.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.05507	7.4
57.03432	3.5
61.02921	2.6
69.03426	100.0
69.53812	4.4
69.54205	3.4
71.01339	3.2
71.04984	10.0
79.05479	2.3
81.03426	11.9
83.04977	40.2
85.02897	29.6
90.11273	1.7
91.05480	2.9
95.04972	3.7
97.02896	7.2
99.04444	2.9
101.06041	1.9
103.03957	3.0
105.06982	2.0
109.02874	15.2
109.06480	2.3
110.29709	1.5
111.04434	41.7
111.05173	2.7
113.06015	1.8
119.04932	3.1
127.03893	14.1
129.05476	55.2
135.04419	1.7
137.05948	2.9
145.04913	3.5
147.04384	4.9
151.07573	8.6
153.05479	1.9
157.06483	2.0
165.09100	2.9
169.04973	6.2
169.08574	3.3
171.06534	11.2
179.07050	5.4
179.90154	1.6
181.08601	1.7
187.05984	8.4
189.07564	44.3
189.09076	3.3
191.07074	3.8
193.08640	4.5
205.07034	10.1
217.08632	2.6
219.06552	1.9
231.10240	2.5
235.09729	3.1
237.07571	2.8
259.09631	10.2
261.11224	7.0
277.10620	12.8
297.09613	5.3
319.11713	2.9
357.11786	14.4
398.12512	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84176	1.8
53.03949	10.7
55.01866	12.7
55.05509	17.4
55.05757	3.1
57.03424	7.6
57.07053	1.9
57.62439	1.8
61.02934	4.7
64.93990	2.2
64.99023	2.2
65.03921	3.0
66.24612	2.0
67.05499	68.0
68.99784	7.2
69.03423	30.7
69.07059	11.3
69.27643	5.1
69.28049	8.5
71.04980	23.8
73.02905	7.9
78.86400	1.9
79.05476	43.6
81.03412	31.0
81.07050	64.0
83.04967	3.2
83.08598	12.1
85.02897	74.9
85.06553	22.2
86.81059	2.0
87.00829	27.4
90.11818	2.3
91.05466	20.3
93.07043	52.0
93.29044	2.2
94.07360	1.9
95.04955	8.0
95.08035	2.1
95.08607	32.7
97.02895	31.3
97.06506	5.6
97.10155	16.1
99.04471	10.0
99.08088	28.7
101.47076	2.1
105.01868	21.4
105.07013	17.5
107.08585	36.3
109.02876	28.0
109.06519	2.6
109.10154	28.0
111.08049	5.8
117.01851	4.1
117.07004	6.9
119.08576	10.7
121.10138	52.7
123.08125	2.8
123.11697	6.2
125.09659	11.3
127.03914	41.4
129.01822	4.0
129.06979	3.0
131.08560	7.3
133.10106	12.3
135.08075	3.4
135.11679	57.3
135.12643	3.8
137.09647	3.4
143.08571	6.1
145.04961	11.0
145.10138	7.4
147.11693	10.0
149.13255	14.9
157.10146	3.0
159.02888	16.1
159.11707	4.9
161.13248	4.6
163.11211	3.0
163.14787	3.4
171.10265	2.4
171.11685	5.0
173.11737	3.6
173.13115	3.8
175.06967	2.2
175.14838	3.2
177.12732	5.7
181.12190	5.9
185.13295	5.3
189.11162	9.9
189.12695	3.4
193.12259	2.3
193.15828	3.3
195.13791	6.3
231.04926	5.1
241.19481	6.1
259.20496	18.7
277.21606	100.0
278.22104	3.5
283.79541	2.2
294.42981	2.1
295.22641	64.7
296.22845	2.9
313.23782	28.8
314.24026	2.8
380.83136	2.4
385.23465	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	579.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06062	0.3
69.33440	1.2
73.61465	0.3
78.25679	0.3
137.06020	0.5
147.04337	0.4
163.04004	0.4
165.68381	0.3
175.03659	2.2
201.01576	2.8
211.02766	0.6
221.04305	0.9
230.65800	0.3
237.00743	0.5
237.05330	0.3
237.07240	1.6
255.01675	0.3
273.03027	0.4
313.18164	0.4
319.06006	0.4
353.06577	0.4
365.08615	0.9
381.05804	8.3
383.40796	0.3
399.06897	5.4
399.11600	0.4
489.13803	0.4
517.11273	0.5
561.10022	3.7
579.17108	100.0
580.17566	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	579.1683
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
52.67835	0.7
61.83904	0.6
69.14089	4.4
69.52365	0.6
70.06596	0.8
71.58825	0.6
90.84041	0.6
92.07841	0.7
98.23415	1.5
118.91238	0.6
128.98839	0.7
175.03789	0.8
179.38348	0.6
190.54700	0.7
235.03984	0.6
280.86975	0.7
313.18130	1.0
381.05881	2.7
399.06982	1.8
561.15796	3.4
579.16888	100.0
580.16882	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	579.1704
Annotation	Kaempferol-3-Rhamnoside-7-Rhamnoside
Peak:m/z	Relative Intensity
56.96550	0.3
57.03427	2.3
65.76443	0.2
69.40050	1.0
71.04986	15.7
72.30753	0.3
73.02887	0.3
75.04455	0.3
83.04978	0.4
85.02898	15.9
87.04483	0.3
111.00783	0.6
111.04430	0.3
121.02883	1.7
129.05464	4.1
132.61649	0.3
133.02898	0.4
137.02351	0.7
141.36046	0.3
147.04343	0.3
147.06471	0.6
153.01802	2.7
165.01810	1.6
185.05913	0.3
213.05502	0.9
231.06415	0.3
241.04936	1.0
258.05194	0.9
287.05463	100.0
288.05765	2.5
292.10519	0.3
305.92249	0.3
309.22617	0.3
397.09946	0.3
433.11237	7.7
508.15598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96466	0.8
55.35168	0.8
63.46443	0.7
71.43817	1.0
226.93777	0.8
241.54257	0.8
267.90137	0.9
301.08322	100.0
302.08591	2.5
342.10861	1.3
395.37057	1.0
428.08517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01870	0.4
57.03420	0.4
65.03937	4.5
67.05510	1.5
68.99747	0.2
69.03418	1.1
70.87453	0.2
77.03926	0.4
79.05476	0.4
81.02965	0.3
81.03416	4.6
82.04199	1.8
85.02900	3.3
93.03387	1.0
95.04967	2.7
97.02871	1.0
97.06512	1.1
99.04454	0.7
103.05463	16.8
105.04491	0.4
108.02097	0.8
109.02870	1.7
110.03650	2.3
111.04433	1.0
123.00716	0.3
123.04419	0.9
125.02343	0.5
125.05970	1.1
127.03884	0.6
131.04915	26.7
132.05228	0.6
138.03130	1.4
139.03874	0.4
140.04669	4.8
142.02588	0.8
148.05182	1.4
153.05447	2.9
155.07051	2.3
161.05989	0.6
163.07527	8.5
171.06506	5.1
173.08156	0.2
179.51888	0.2
181.04939	100.0
182.05284	1.7
199.06013	2.8
237.11240	0.6
255.08612	1.1
287.05612	0.3
307.08350	0.2
325.09180	5.0
343.10229	1.3
415.53775	0.3
502.29770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2069
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03918	0.4
55.01858	0.5
57.03383	0.4
59.05806	0.3
61.02907	0.6
65.03912	1.2
67.05479	0.6
69.03407	1.6
69.07044	2.7
69.07371	0.7
70.06555	0.5
78.04713	2.3
79.05482	0.8
81.03391	0.6
85.02892	3.2
91.05444	0.7
95.04942	1.4
97.02892	1.0
98.23440	0.8
103.05464	0.7
106.04143	1.3
107.04913	1.0
110.03652	0.9
115.05455	2.7
117.07011	5.8
120.42167	0.3
121.02924	0.5
122.03705	0.4
123.04424	5.7
124.05202	1.7
127.03812	0.4
127.05376	0.8
134.03607	0.5
135.04436	0.5
137.05940	0.6
143.04903	0.8
145.02837	0.8
145.06473	9.2
147.08034	0.7
150.20784	0.4
151.03883	1.7
151.07413	0.4
152.04657	2.1
153.05450	1.2
154.32156	0.4
155.06027	4.4
160.05150	0.4
161.05983	0.5
163.03920	0.4
167.07019	100.0
168.07378	1.3
171.06511	1.3
173.05969	19.4
174.06319	0.5
175.07547	0.8
177.05495	1.0
181.04942	23.2
191.06937	0.4
201.05444	0.8
205.08589	3.6
233.08086	5.4
235.09615	4.3
355.11920	0.5
387.14352	18.8
388.14456	0.9
417.15433	11.9
512.89398	0.5
579.20630	43.8
580.20758	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01874	1.6
57.03426	1.2
59.19680	0.3
61.02907	1.0
68.99774	0.5
69.03110	0.4
69.03428	4.3
69.40070	0.6
69.40460	0.8
71.04977	0.9
73.02905	0.9
74.83221	0.3
81.03413	4.9
85.02404	0.6
85.02898	10.1
87.00834	4.3
91.03947	0.4
97.02882	3.2
99.04445	2.0
99.04977	0.3
99.08088	2.9
99.67964	0.4
101.04520	0.3
105.01849	2.6
109.02879	4.1
117.01824	1.1
127.03909	7.0
128.06239	0.3
129.01808	0.8
129.06960	0.6
140.24828	0.3
145.04938	2.7
147.02844	0.6
147.08014	0.4
157.06470	1.0
159.02895	3.6
159.08067	0.4
169.06494	0.3
175.07521	4.8
185.05920	0.5
187.07552	1.8
189.03827	0.3
189.05443	0.3
199.07562	0.7
199.11205	0.5
201.09074	1.2
202.09950	0.4
203.07018	25.5
204.07309	0.5
211.07478	2.7
211.11108	0.4
212.08292	1.0
213.08946	0.4
215.07224	0.4
215.10648	1.3
217.08632	0.8
217.12213	4.6
225.09114	0.4
227.07213	0.5
227.10666	3.2
229.08617	4.4
229.12178	3.8
230.09248	0.4
231.04904	0.8
237.09001	0.5
241.08638	0.5
241.12265	1.0
243.09949	0.7
243.13770	0.6
245.11713	100.0
246.12135	2.7
251.10500	0.4
253.12326	1.8
255.10193	0.9
255.13737	0.9
257.11652	1.2
269.11703	5.9
271.13272	13.9
272.13474	0.4
282.12424	0.3
287.12799	1.9
295.13391	0.8
295.16882	1.3
311.12787	1.1
313.14508	0.4
313.17984	3.9
331.19019	7.1
337.17838	0.8
353.13702	1.1
383.07251	0.4
407.16873	0.3
438.73383	0.4
457.14731	0.9
475.15912	1.4
475.21930	0.4
493.17126	3.7
558.13318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01868	1.3
55.05490	3.2
59.23186	0.9
60.04520	4.7
67.05488	1.1
69.03425	4.9
69.07072	2.2
69.65209	3.1
69.65600	2.1
71.04974	1.1
73.02901	0.9
81.03401	5.7
81.07024	1.1
83.08611	2.4
85.02892	10.1
87.00829	5.3
91.05506	1.3
93.07027	1.8
95.08572	2.6
97.02890	2.9
97.10162	1.5
98.22861	1.3
99.04443	2.2
104.78502	0.9
105.01882	1.9
109.02856	3.6
109.10170	1.6
110.94379	1.0
113.32201	0.9
117.01832	1.6
127.03892	4.7
128.06250	1.1
129.01740	1.1
143.08542	2.1
145.04970	1.9
153.07050	1.1
155.08626	1.3
157.10167	2.3
159.02750	1.1
161.06026	5.1
163.07552	3.0
167.08615	1.1
169.10109	1.8
170.07289	1.2
171.08055	3.2
173.06000	2.0
175.07564	1.4
178.07704	1.3
181.08624	1.5
181.10103	1.5
183.08075	1.4
185.09607	3.0
185.28232	1.0
187.07538	2.5
189.09082	13.1
195.08011	4.1
195.11775	1.3
196.08986	1.1
197.09573	2.7
198.06743	2.2
199.07533	3.0
201.09134	5.4
203.10687	4.2
203.14514	1.1
207.10100	2.8
209.09641	1.9
213.09082	53.6
214.09479	1.3
215.10635	4.5
217.08572	8.3
221.11720	2.3
223.11153	2.6
225.12767	1.5
227.10669	4.1
229.08655	2.5
229.12233	3.4
231.10104	9.9
233.11690	2.4
235.09630	2.6
239.10725	3.3
240.11362	1.5
241.12219	3.5
243.10277	1.2
253.12131	1.7
255.13823	7.3
255.17563	1.9
257.11694	1.9
257.15378	1.5
265.15787	6.4
267.17310	1.5
271.13361	2.0
283.16907	41.2
284.17068	1.1
285.18451	11.0
295.16837	4.6
299.16339	1.5
301.17969	19.1
303.19406	6.8
303.44070	1.1
313.17999	13.3
325.17935	1.6
331.19006	100.0
332.19260	3.8
332.27835	2.6
579.22369	3.3
580.33087	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	580.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01876	9.1
55.05478	1.5
57.03433	17.7
61.02922	10.8
67.05478	3.5
68.99780	6.5
69.03424	56.1
69.25748	5.3
69.26167	3.0
71.01342	3.5
71.04973	5.6
72.46107	1.3
73.02908	24.6
79.05491	2.4
81.03412	31.5
83.04976	6.9
85.02896	100.0
87.00821	38.6
87.04479	1.9
91.05470	2.9
93.07037	1.4
95.04960	12.1
95.30930	1.5
97.02887	56.3
99.04452	12.6
101.02373	1.5
103.03924	13.9
103.05444	2.3
105.01859	38.0
105.03370	4.2
105.07017	6.7
107.04955	2.1
109.02871	33.0
110.03667	1.7
111.04411	10.2
113.02330	1.6
115.03927	7.9
115.05445	2.7
117.01865	1.6
117.07018	1.6
121.06487	4.1
123.04414	7.4
125.02351	11.7
127.03905	58.9
129.01874	9.0
129.05467	2.9
129.07024	3.3
131.04927	3.3
132.06589	1.8
133.06477	10.6
135.04399	3.5
137.02330	3.2
137.05949	20.5
139.03873	2.5
145.04938	12.1
145.06033	1.6
145.06496	1.9
147.02869	6.3
147.04227	1.9
147.06454	1.5
147.08038	4.2
150.07610	4.3
151.03941	7.6
151.07541	12.7
152.10698	1.5
153.05457	2.9
157.06493	2.3
159.02872	6.1
161.05962	3.8
163.07495	5.0
164.86525	1.4
165.05469	1.4
165.09158	6.8
167.07042	17.8
168.07373	8.9
169.04939	5.5
171.02850	5.7
171.08052	1.8
173.05992	3.9
174.06619	3.8
175.07498	3.3
177.05486	3.1
177.09050	2.1
179.06985	2.5
181.04939	11.4
182.05270	2.2
183.10161	5.7
187.06000	3.3
187.07520	2.0
189.03928	22.0
189.05461	2.5
189.09077	9.6
191.07060	2.7
193.04968	3.7
199.06056	4.3
201.09081	1.9
203.07065	3.5
205.04953	2.4
207.10144	20.1
211.06084	2.0
213.03944	7.2
213.09177	1.7
215.05502	1.9
217.07022	3.1
219.10170	1.9
223.05937	9.3
225.11151	14.2
229.08644	3.8
231.04971	13.2
231.10048	1.8
233.06424	2.6
241.06996	14.2
245.08153	2.5
245.11697	1.4
249.06044	4.8
249.11147	10.8
267.99023	1.4
273.06110	22.3
273.11185	25.0
291.12231	22.4
309.06137	1.8
327.07089	5.8
345.08075	3.1
345.56717	1.6
363.09088	3.0
377.12143	5.6
388.14545	4.5
390.66373	1.7
395.13217	5.9
580.20953	13.4
581.18988	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	580.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38287	1.0
53.78844	1.1
55.97899	1.1
57.09993	1.0
60.04523	5.4
69.03421	1.6
69.69915	2.0
69.70270	4.0
71.04977	1.2
73.12424	1.0
85.02909	5.3
91.05505	1.4
99.04469	2.9
102.55930	1.2
103.03938	5.2
127.03915	3.0
128.06207	2.1
129.07010	2.6
135.04420	2.7
137.05948	9.0
139.05457	1.3
151.03885	2.5
157.06526	2.1
163.03885	6.8
172.56032	1.2
174.06813	1.6
185.05986	1.3
187.07564	3.7
189.09091	2.2
199.07591	1.3
202.07765	1.9
203.08533	7.3
217.08607	3.2
219.08066	2.4
220.08801	4.2
222.69283	1.1
230.07156	1.3
231.08037	10.6
232.08788	3.0
234.06909	1.3
237.09047	1.2
247.07504	2.4
248.08321	13.1
249.09131	1.2
259.07474	4.1
260.08374	3.8
261.09195	1.3
262.09848	1.4
263.10593	10.5
265.08624	4.1
270.08725	1.6
275.06909	1.2
276.07791	8.7
277.08545	5.0
291.10114	33.4
292.10712	4.3
293.08063	9.4
307.09763	1.2
308.10458	4.2
311.12952	1.5
314.27008	2.4
323.12738	100.0
324.13080	3.1
332.27939	5.0
341.13791	7.2
374.28574	1.2
383.14902	3.6
438.00867	1.2
485.17661	5.4
547.37909	1.2
580.07410	1.9
580.32861	3.2
581.07361	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69622	6.0
55.64407	5.3
69.58485	20.1
81.36874	6.4
96.15286	5.5
116.56222	6.3
193.10091	7.9
204.09285	13.5
219.11618	12.0
220.12405	8.3
221.09569	9.9
232.08643	6.8
247.11111	22.9
253.15955	9.6
265.12207	45.1
281.15314	100.0
291.04227	7.3
394.69351	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	580.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.4
55.01857	7.1
55.05508	17.8
61.02930	7.8
67.05497	81.7
68.99797	11.0
69.03415	41.9
69.07055	22.4
70.82122	10.8
71.04974	12.1
73.02914	10.0
73.82835	5.2
74.54405	5.4
79.05486	23.7
81.03404	38.3
81.07052	88.7
83.08610	15.4
85.02905	97.3
85.06529	9.9
87.00817	38.6
91.05448	17.8
93.07044	29.1
95.04977	7.1
95.08595	100.0
97.02896	25.5
97.10161	17.6
99.04466	16.0
105.01857	29.1
105.07016	15.4
107.08589	20.3
109.02850	48.7
109.10152	58.0
109.23818	5.9
115.26173	5.6
119.08549	12.3
121.10097	36.3
123.08005	5.5
123.11701	26.7
127.03889	78.7
131.08537	11.2
133.10121	13.6
135.11690	19.6
137.13242	12.2
145.04944	19.4
145.10109	13.8
147.11684	18.6
149.13228	8.5
159.02863	8.0
161.13293	12.9
163.14780	7.4
178.89882	5.8
179.14278	13.1
210.98569	6.4
213.03854	9.1
223.16988	7.6
229.14301	13.2
231.04955	11.7
243.21115	13.3
261.22131	25.1
279.23178	96.8
297.24277	41.9
317.00656	6.5
365.23279	9.4
376.58154	5.9
383.24414	39.8
545.29413	24.5
574.87860	6.3
581.25653	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	580.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16187	0.9
53.03942	2.6
55.01865	1.6
55.05501	4.1
56.05022	5.8
57.03432	2.7
57.07085	1.2
58.06591	0.9
60.04521	100.0
60.75188	0.9
61.02926	1.9
67.01907	0.9
67.05497	14.3
68.05030	1.4
68.99799	1.3
69.03422	14.0
69.07066	5.0
69.36015	3.2
69.36454	1.4
70.06579	1.4
71.04997	1.6
72.04503	1.5
73.02926	1.5
74.06074	4.5
79.05490	5.3
79.39651	1.0
80.05019	1.5
81.03414	13.3
81.07043	12.7
82.06583	2.2
83.08622	3.4
84.04503	1.5
85.02897	22.2
86.06071	2.6
87.00822	7.8
90.05537	1.4
91.05471	5.5
93.07024	6.3
94.06564	1.5
95.04958	2.1
95.08588	7.5
96.08102	1.6
97.02887	7.1
97.06513	1.0
97.10149	1.0
97.33202	0.8
98.06020	0.8
99.04440	4.6
102.05538	2.1
103.03955	1.1
104.07098	2.2
105.01859	2.9
105.04486	0.9
105.07037	3.7
107.08595	4.0
108.08143	1.0
109.02866	8.4
109.10171	4.1
119.08569	1.2
121.10152	4.0
127.03899	15.5
129.01878	1.4
131.08530	2.0
133.10107	1.8
135.11717	2.8
142.34924	0.9
145.04997	2.4
149.13301	0.9
159.02896	3.7
163.03914	3.7
170.19553	1.1
231.05186	1.5
248.23761	1.1
260.23752	2.9
266.12482	1.0
278.24811	7.7
289.77621	0.9
296.25784	10.6
310.11261	2.8
314.26843	28.5
332.27933	73.1
333.28613	1.6
372.10669	1.6
374.29016	3.5
386.08334	0.9
494.33325	1.5
518.33325	1.4
536.34100	4.9
544.31128	2.6
562.32196	4.5
580.33197	63.8
581.33643	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	580.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
53.11420	1.6
55.05254	2.7
55.05507	37.0
66.79651	1.6
67.05509	4.0
69.03416	1.7
71.04994	2.9
79.05474	12.4
81.07028	9.1
83.04972	75.4
85.06561	1.9
91.05466	37.2
92.45025	1.7
93.07032	14.1
95.04956	18.6
95.08612	4.1
97.06517	2.9
101.06020	2.8
103.05489	2.9
103.29083	1.3
105.07019	43.3
107.04957	2.2
107.08604	6.2
109.06493	8.1
111.08041	1.8
115.05435	11.3
116.06226	4.3
117.07013	52.9
119.04918	2.6
119.08565	15.8
121.06493	4.4
121.10118	4.4
123.08062	3.2
128.06213	20.7
129.06985	48.6
130.07788	10.4
131.08560	55.2
133.06503	6.6
133.10130	16.1
135.08037	3.3
141.06982	5.9
142.07755	9.5
143.08542	46.6
144.09288	3.5
145.06488	5.8
145.10112	55.5
147.08049	8.0
147.11685	2.3
149.09639	6.8
153.06963	4.7
154.07806	3.6
155.08530	23.0
156.09380	6.8
157.10117	20.7
158.07317	2.8
159.08031	3.1
159.11707	10.7
161.09596	10.9
161.13243	2.8
165.06995	3.4
167.08534	2.4
169.10124	6.3
170.10934	1.8
171.08049	5.7
171.11650	17.4
173.09602	100.0
174.10007	2.8
175.11125	10.1
175.14873	2.6
180.09329	2.5
183.11685	1.8
185.13231	18.9
187.11147	5.6
189.12784	5.8
191.10564	7.0
195.11665	5.2
198.10423	3.6
203.14313	9.8
213.12720	28.1
231.13771	37.8
244.16980	4.5
249.14830	3.7
262.18060	3.5
273.14752	7.2
317.12515	1.5
331.18900	3.1
349.20114	2.1
362.23264	7.3
539.93689	1.9
554.72168	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1499
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01864	0.7
57.03433	2.7
58.99870	0.3
59.04988	0.7
61.02910	0.4
61.86954	0.4
68.99776	0.4
69.03065	0.6
69.03423	9.6
69.98773	1.0
81.03403	0.7
84.83093	0.3
85.02406	0.5
85.02901	7.7
85.03411	0.6
87.04467	5.3
97.02881	6.6
109.02867	0.5
111.00803	0.5
115.03929	7.2
121.02863	3.0
127.03918	0.6
133.04955	6.1
135.04439	0.5
135.23866	0.3
137.02303	0.8
145.04953	1.3
147.04395	0.5
151.03914	0.4
153.01811	2.9
165.01816	2.1
167.07069	1.5
168.07353	0.7
169.07596	0.5
173.05952	0.5
183.02907	0.9
185.05992	0.6
213.05440	1.2
231.06474	0.5
241.04953	1.1
258.05173	0.9
259.05981	0.6
269.04822	0.4
287.05475	100.0
288.05884	2.8
299.05420	0.5
313.11703	0.4
329.06613	0.9
449.10980	0.5
581.20801	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96577	1.4
57.73365	1.6
67.05499	2.2
67.89615	1.3
70.28212	3.6
85.02895	2.0
113.04704	1.2
163.03938	4.2
218.52280	1.3
221.24399	1.4
333.10999	2.3
495.15723	3.6
533.09998	1.5
537.17352	38.0
537.25671	3.0
538.17291	2.1
538.71350	1.6
581.16272	100.0
581.25568	8.5
582.16785	7.0
582.25623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18477	0.5
55.05503	0.6
55.63897	0.5
59.33937	0.5
61.06878	0.5
69.29830	1.1
69.30230	2.3
70.74559	0.6
72.08147	1.0
73.02926	0.6
81.03410	0.8
81.63020	0.6
83.04995	0.8
85.02898	2.1
86.66039	0.5
91.05470	0.7
93.07719	0.6
94.03943	0.8
97.02887	2.4
110.61366	0.5
111.04430	0.7
113.05772	2.2
114.12790	5.5
121.02871	1.0
137.05971	1.0
145.02757	0.7
149.02304	3.8
163.03893	2.8
171.00537	0.6
175.07559	1.1
189.07552	0.8
203.07030	0.7
210.14795	0.6
245.06433	0.9
254.33127	0.7
261.07309	8.5
275.11066	2.7
277.07111	1.3
315.11981	11.1
317.12155	2.2
321.56885	0.6
333.13043	18.1
334.13593	1.3
343.60577	0.6
349.90546	0.6
361.12613	1.5
375.14047	0.7
477.17325	1.2
495.18314	12.7
537.19366	44.3
538.19666	2.0
581.18341	100.0
582.18585	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	581.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
57.03416	0.3
60.04528	2.4
67.05473	0.3
69.03419	0.7
69.20776	0.7
69.21181	1.2
77.84079	0.3
81.07043	0.3
85.02893	0.8
95.08602	0.5
100.11267	0.3
105.06963	0.4
109.02916	0.3
115.03191	0.3
127.03921	0.5
135.04350	0.3
147.04422	0.6
149.05824	0.3
163.03902	0.6
167.07098	0.4
177.05542	0.7
267.08420	0.3
277.65344	0.3
314.27011	0.5
324.96167	0.4
332.27734	1.7
333.28412	0.6
347.95624	0.3
358.52103	0.3
419.07782	0.4
463.15646	5.3
463.21851	0.3
481.16745	22.0
482.16986	0.7
537.08423	0.6
563.20911	0.7
580.33160	0.6
581.21979	100.0
582.22302	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	581.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97690	0.2
55.05509	0.3
57.03421	0.3
57.79705	0.3
62.35115	0.3
65.03874	0.3
66.03075	0.3
67.05486	0.6
71.04970	0.3
79.05476	0.6
81.03402	0.3
81.07040	0.6
83.08585	0.2
85.02899	0.4
85.06538	0.6
87.00832	0.3
89.19506	0.3
91.05468	0.9
92.89014	0.2
93.07028	1.2
95.08610	1.5
97.02904	0.3
98.22597	0.5
102.96999	0.3
103.05415	0.4
105.07023	1.5
106.18636	0.3
107.08604	0.4
109.02816	0.4
109.10122	0.5
111.08121	0.4
117.07031	0.3
119.08594	0.3
121.10134	11.6
123.04407	0.9
123.08064	0.4
131.04942	0.6
136.05055	0.2
137.02319	1.3
137.05919	0.9
139.11136	1.7
143.08530	0.3
145.06465	1.3
145.10104	0.6
149.05965	0.6
153.05486	0.7
155.65102	0.3
159.08099	0.5
161.05933	0.5
163.07521	1.8
163.11220	0.4
164.04689	0.8
165.09071	1.6
171.08031	0.6
173.05870	0.3
173.09688	0.3
175.07454	0.4
177.05438	1.4
177.09119	1.2
179.07013	58.2
180.07349	0.9
183.11646	0.5
185.09488	0.3
187.07500	1.9
189.09030	0.4
191.10620	0.7
195.08371	0.3
195.10168	1.5
199.11278	0.4
201.09099	0.4
201.12683	1.5
203.10707	0.9
205.08575	0.5
205.12248	0.7
207.10240	0.6
211.11288	0.4
213.09061	0.3
213.12729	0.4
217.12253	0.4
219.10178	2.5
221.11693	0.9
229.12210	4.4
231.10133	0.5
231.13788	0.6
237.12685	1.2
243.13791	0.8
245.11797	0.4
253.29572	0.3
253.32631	0.3
254.12790	0.3
255.13715	0.8
289.05078	0.4
291.15875	4.0
297.18448	1.5
315.19531	2.3
333.20563	100.0
334.20969	3.7
405.55496	0.3
581.25543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.6
62.71839	1.2
67.05495	3.1
69.07075	3.6
69.52229	5.9
79.05489	2.7
81.07046	4.8
83.08614	1.5
85.44384	1.4
91.05477	3.5
93.07051	6.3
95.04969	1.6
95.08602	6.0
97.06542	2.7
105.07014	12.8
107.08607	6.2
109.10160	3.9
119.08527	7.3
121.10161	3.3
126.02955	1.4
131.08589	1.8
133.10121	3.8
137.09654	1.9
143.08537	2.4
145.10092	3.8
147.11638	7.5
149.49640	1.5
156.09268	1.6
171.11621	2.2
173.13196	2.0
183.02867	3.9
183.06538	1.9
183.11714	1.6
185.06065	2.0
197.04463	16.9
197.13177	1.5
199.02275	2.1
200.03055	1.6
201.16367	2.6
203.03333	1.6
203.17943	2.3
204.36667	1.4
209.98476	1.4
212.04727	2.6
213.05484	2.6
214.06242	3.7
226.06514	1.6
229.04861	2.2
240.04204	5.4
241.05031	1.8
242.05748	5.6
245.04428	3.7
245.08151	3.3
247.06155	1.9
252.04115	1.8
255.06572	2.8
257.04474	2.4
258.05139	1.7
270.05188	6.1
271.05939	3.9
273.04047	2.9
273.07602	7.4
281.04431	1.7
283.06055	2.3
284.03302	3.0
285.03903	8.9
285.07135	2.0
287.05472	5.9
288.06247	7.6
298.04678	4.8
299.05466	3.2
300.06259	5.0
301.03705	3.3
301.07056	5.4
303.04962	8.7
303.08310	2.4
311.05469	8.6
312.20847	1.8
315.05011	2.2
316.05771	3.9
317.06592	3.0
318.07321	5.1
327.04941	5.7
328.05658	14.3
331.04233	3.2
331.08075	33.0
333.09653	24.8
341.06638	2.6
345.06006	22.3
345.09814	1.8
346.06842	6.4
359.07541	34.8
360.08292	8.8
361.09125	100.0
362.09637	2.4
373.09055	2.0
377.08609	11.1
531.23407	2.7
535.26593	2.5
545.25134	2.0
563.26318	29.6
564.26538	2.1
581.27881	2.4
581.39612	4.5
586.07599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13700	0.6
64.12162	0.5
67.05520	0.9
81.07063	0.9
85.11909	0.5
86.69635	0.4
91.05479	0.6
93.07043	0.7
95.08617	0.9
95.53897	0.5
105.07016	0.8
117.07003	0.5
131.08583	0.9
133.10167	0.6
145.10156	0.6
159.11772	0.7
190.97694	0.5
225.78709	0.5
314.31027	0.5
340.52194	0.5
423.51419	0.6
423.57712	0.5
519.25293	0.5
521.32245	1.4
521.58484	0.5
581.34412	100.0
582.34680	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	582.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	13.3
79.05482	4.6
86.67561	3.2
87.00827	24.8
91.05484	9.4
93.07039	8.9
95.04982	4.5
95.25430	2.9
103.05445	18.8
105.07027	25.1
106.04181	6.5
107.04924	5.1
115.05429	6.8
117.03402	3.5
118.04147	5.0
121.06477	21.4
131.04900	10.5
133.06499	21.2
134.03601	3.9
145.02853	7.8
148.05127	4.0
149.05965	34.7
161.05960	42.4
163.03918	6.7
163.07513	7.4
176.04674	4.0
177.05490	20.5
181.08594	20.1
191.05307	2.9
191.07030	57.8
193.08595	30.2
207.06516	3.6
209.08064	100.0
211.82111	3.0
216.74577	2.9
228.36417	3.1
251.09207	8.7
295.04980	6.0
295.08090	80.6
342.09949	2.8
352.11465	3.5
582.16150	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	582.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
60.04507	0.9
61.57053	0.3
63.02372	0.6
67.05479	0.7
71.41149	0.4
78.04767	0.4
79.05457	0.4
81.03416	0.8
81.07057	0.6
83.08595	0.4
85.02928	0.5
85.06541	2.2
89.03908	6.0
91.05479	1.0
93.07035	0.6
95.04968	0.5
100.11246	1.6
109.02824	0.4
109.06384	0.3
111.04440	0.6
117.03368	18.4
119.08564	0.4
131.08559	1.1
134.03581	1.3
135.04446	1.7
145.02834	51.4
145.10139	0.9
146.03133	0.7
149.05963	7.2
149.09630	0.8
156.13847	1.3
163.03964	0.9
163.11159	0.6
167.10695	0.6
177.05455	100.0
178.05803	1.5
182.15334	0.7
184.07358	0.4
184.13351	0.8
186.05479	0.9
191.10655	1.6
195.06485	1.4
209.11729	2.5
210.14847	0.8
227.12735	4.6
321.09662	1.5
339.10693	4.3
399.33176	0.6
564.45825	0.4
581.43982	0.5
582.23083	0.5
582.33899	0.5
582.45520	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.3
53.03947	0.4
55.01880	0.3
77.03893	0.3
79.05482	0.8
81.07037	0.5
85.02877	0.3
87.00766	0.3
87.86377	0.3
88.17551	0.2
95.04966	2.0
105.04519	0.8
107.04948	100.0
108.05267	1.7
117.89964	0.3
123.11685	0.9
127.30684	0.3
161.70219	0.3
163.03867	0.5
173.43568	0.3
180.81070	0.3
196.77664	0.3
213.09113	0.8
234.46606	0.4
317.21185	0.9
335.22147	0.9
338.38647	0.3
582.16199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
53.09704	1.7
55.01865	3.9
55.05508	3.3
57.03429	2.7
61.02932	2.4
68.99762	1.8
69.03419	15.7
69.07056	1.6
69.84648	2.6
69.85038	2.6
71.04989	1.9
73.02919	2.3
74.09719	5.0
75.78727	1.4
81.03416	13.5
83.08592	3.7
85.02896	38.6
85.06511	1.7
87.00828	16.6
95.08607	5.9
97.02886	16.5
98.23427	1.8
99.04439	4.1
99.08115	2.6
105.01852	12.4
109.02868	16.1
121.10107	1.4
123.04424	3.7
127.03899	29.6
129.01904	1.8
129.07024	2.9
131.04903	4.9
131.54761	1.6
143.04887	2.0
143.08499	1.7
145.04962	12.4
145.06418	3.6
149.05931	12.1
157.06517	3.7
159.02852	7.3
159.08012	2.2
161.05980	3.0
163.07509	13.4
165.09105	34.4
165.12741	3.8
171.08044	2.3
171.11731	1.6
173.09656	1.7
175.07558	6.3
177.09106	3.1
179.10725	1.8
183.08058	2.0
187.07582	3.2
189.09149	3.3
191.10631	33.5
191.12183	2.3
197.09676	3.6
200.08089	1.6
201.09032	1.6
203.10641	3.4
205.12225	40.2
207.10143	3.6
211.11136	1.4
213.03917	3.8
215.10667	5.3
217.12225	40.6
219.13728	10.8
229.12254	9.5
231.04970	8.8
231.13669	6.6
233.11804	2.5
233.15187	1.7
239.14308	2.7
243.13730	5.0
256.14554	2.9
257.15460	7.9
259.16873	10.6
273.18326	2.1
275.16339	8.6
281.19016	4.5
289.21664	2.8
299.20016	66.9
300.20404	3.4
308.43457	1.8
317.21078	100.0
318.21417	3.5
327.19571	3.0
412.12820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
53.51256	0.5
54.63919	0.6
55.01857	2.1
55.05515	3.6
57.03415	1.8
57.07066	1.0
61.02912	1.5
66.55483	0.5
67.05488	3.3
68.99771	0.9
69.03423	10.8
69.07050	2.9
70.07444	0.6
70.55627	1.2
71.04982	1.8
71.08607	0.8
73.02896	1.6
79.05491	1.4
81.03413	8.6
81.07044	3.7
83.08606	4.7
85.02897	21.0
85.17947	0.5
87.00822	8.7
91.05461	1.3
92.82556	0.5
93.07026	1.3
95.08598	6.5
97.02889	6.1
98.32680	0.6
99.04450	3.8
99.08107	0.6
103.05468	1.7
105.01861	10.4
105.07015	1.8
107.04914	0.7
107.08568	1.4
109.02872	10.0
109.10153	5.2
111.08018	0.7
115.05449	0.9
117.01812	1.0
117.07018	1.9
119.08554	1.4
121.10152	2.6
123.04433	0.8
123.11684	2.3
127.03904	16.1
128.04292	0.6
129.01793	1.2
129.07005	1.9
131.04930	4.3
131.08566	1.9
133.10109	2.4
135.08069	5.3
135.11699	1.0
137.05960	4.7
141.06961	1.4
143.08534	1.8
145.04967	6.0
145.06462	6.0
145.10046	1.0
147.02895	0.9
147.11702	0.9
149.05956	10.5
151.07513	2.0
155.08540	2.2
157.06453	1.7
157.10139	1.5
159.02855	5.2
159.08032	4.6
161.05975	1.4
163.07518	18.2
165.09105	7.3
168.09286	1.1
169.06534	1.1
169.10106	4.4
171.08003	2.9
171.11580	0.6
173.05978	2.7
173.09622	1.5
175.07501	1.9
175.11151	0.7
177.09084	2.4
179.08499	1.0
179.10620	3.8
181.06558	1.6
181.10120	0.9
183.08054	4.2
183.11673	2.2
184.08852	1.1
185.09615	4.0
186.10260	0.7
187.07512	12.1
187.11148	2.1
188.08322	0.7
189.03900	0.6
189.09102	5.9
191.10641	32.6
193.12259	1.0
195.08051	1.8
196.08749	0.8
196.12453	0.7
197.09593	7.3
198.10353	0.7
199.07510	1.4
199.11198	1.9
200.08359	1.2
201.09073	8.0
201.12677	3.0
202.09819	1.0
203.10670	4.9
205.12222	34.9
209.09851	0.8
210.10294	0.8
211.11246	2.9
211.14767	3.0
213.09079	2.2
213.12730	1.7
214.09860	4.2
215.10661	11.3
215.14246	1.1
216.11473	0.8
217.12222	5.0
219.13777	1.5
221.13268	1.2
223.11127	1.8
223.14957	0.5
224.11913	0.8
225.12735	1.2
227.10638	1.7
228.11401	1.7
229.12222	21.1
229.15656	4.4
230.12541	0.7
231.04991	5.2
231.13847	4.7
237.12602	0.7
238.13432	1.7
239.14281	10.7
241.12239	5.5
242.12918	1.0
243.13782	14.5
245.15279	0.7
249.06065	1.0
253.19446	0.6
255.13760	1.4
256.14584	6.2
257.15338	48.5
258.15686	2.1
270.16089	0.8
271.17053	0.6
271.20468	2.4
275.16376	13.9
281.18979	9.6
284.17676	0.9
299.20016	100.0
300.20291	3.7
317.21069	25.6
326.56247	0.6
453.22629	0.6
565.26593	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	582.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.8
59.33798	0.8
61.71099	0.7
63.02400	0.9
67.05493	2.4
69.03416	2.1
69.07065	3.3
71.04992	1.0
71.17385	1.0
79.05485	1.5
81.03416	2.5
81.07054	4.0
83.08610	1.1
85.02898	2.7
85.06517	1.8
89.03909	6.8
91.05459	2.1
93.07037	2.8
95.08604	6.8
97.02872	1.0
97.06516	2.3
97.10161	1.4
99.04483	0.9
105.01756	0.7
105.07024	5.5
107.08572	3.1
109.10159	6.3
111.11720	1.1
113.09634	2.2
117.03368	15.7
119.08562	3.1
121.10129	1.8
123.08009	0.9
127.03866	1.5
127.11196	1.3
131.08546	4.1
133.10121	86.6
134.03551	1.0
134.10435	1.5
135.04417	1.4
135.11688	1.0
137.13254	1.1
139.11217	1.4
143.08568	1.3
145.02840	48.7
145.10123	2.1
147.11584	0.8
149.05928	6.5
158.10902	3.0
163.03915	4.8
173.12070	0.6
173.13255	21.8
177.05463	100.0
178.05818	1.8
186.05495	1.2
191.14297	13.0
209.15369	2.2
253.17891	0.8
256.44202	0.9
263.23700	1.9
271.38168	0.7
281.24728	9.3
299.25757	5.4
321.09802	0.9
339.10672	1.6
370.09128	0.9
538.26672	0.9
582.15790	3.9
582.25421	2.4
583.27649	1.2
600.32336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
66.55347	0.4
67.05496	0.6
69.03413	1.3
69.12088	3.4
71.04986	2.8
71.05303	0.4
79.05486	0.5
81.03411	3.6
85.02892	1.3
85.06525	1.2
89.03904	4.1
91.05453	2.4
93.07033	1.5
95.04961	1.0
95.08603	3.5
97.06518	5.1
99.80725	0.5
105.07020	5.7
106.04140	0.6
107.08580	1.0
109.02856	1.0
109.10148	2.2
115.05449	0.7
117.03365	17.1
117.06936	0.7
119.08575	1.2
121.06499	0.6
121.10098	2.3
131.08548	5.0
133.10114	80.4
134.10451	1.3
135.04379	0.8
135.08015	0.8
143.08578	1.0
145.02829	48.3
145.10109	1.7
146.03104	1.1
147.11658	1.0
149.05969	6.5
149.13245	0.7
158.10907	2.0
163.03931	0.9
173.13243	22.0
177.05449	100.0
178.05783	1.6
186.05434	0.6
191.12534	0.9
191.14285	16.6
195.06578	2.2
200.13933	0.6
245.31700	0.5
269.73392	0.5
280.72937	0.5
321.09671	4.5
339.10693	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	582.291
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78297	1.3
67.74349	1.3
70.63329	1.4
71.04982	2.7
81.03405	3.6
81.07061	2.4
85.02905	1.7
86.09692	2.3
89.03930	7.6
91.05501	1.7
93.07046	1.9
95.04939	1.5
95.08663	2.2
97.06517	2.7
104.10776	1.5
105.01849	1.6
105.03356	1.7
105.07055	5.2
109.10204	2.4
117.03378	17.8
125.00010	1.5
126.01070	9.6
131.08588	4.5
133.10120	47.2
135.04428	8.1
145.02844	50.4
145.10092	2.4
146.03195	1.6
149.05983	5.1
151.03918	2.5
160.08638	1.4
163.03905	23.1
170.26962	1.4
173.13268	12.9
175.21585	1.4
177.05457	100.0
184.07404	4.0
191.14307	15.1
196.06374	19.2
206.08278	2.1
210.03789	1.7
211.07495	3.0
231.37077	1.4
296.08896	1.6
321.09695	3.3
339.10864	6.7
342.09555	2.8
370.09277	1.6
374.12155	1.8
388.10245	1.5
402.11658	3.8
420.11917	5.8
460.79306	1.4
582.14667	3.5
582.23932	1.5
582.40808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.05499	18.1
61.33432	2.9
65.03935	2.8
66.16473	2.5
67.05502	6.3
69.07043	4.2
71.04990	6.3
79.05491	15.6
81.03419	2.9
81.07043	20.6
83.04977	30.5
85.06551	6.7
91.05467	42.0
93.06534	2.5
93.07013	18.2
95.04957	21.8
95.08598	5.5
97.06541	6.6
99.04471	7.3
105.07017	58.2
107.08578	11.5
109.06522	7.4
115.05463	9.0
116.06219	3.7
117.07008	57.2
119.08572	17.0
121.06518	6.2
123.08064	3.7
128.06210	19.7
129.06990	38.8
130.07793	12.6
131.08548	40.4
133.06490	7.8
133.10089	14.5
135.08083	6.3
141.06979	7.5
142.07765	16.1
143.08557	48.6
145.06490	6.9
145.10112	82.3
147.08052	9.7
147.11647	5.4
149.09589	8.6
151.07492	3.9
155.08571	23.9
156.09354	9.8
157.10110	29.0
158.07263	2.7
159.08086	3.9
159.11694	8.4
161.09598	17.0
161.13216	3.9
163.11174	3.4
165.07050	5.1
169.10126	5.0
170.10919	4.4
171.08032	4.4
171.11691	10.4
173.09604	100.0
173.11107	5.2
175.11211	11.3
175.14804	5.4
180.09320	4.4
183.11736	5.2
185.13243	36.1
187.11137	4.0
189.12743	6.5
191.10596	13.8
195.11610	15.8
201.12813	4.6
203.14320	20.2
213.12701	38.0
231.13763	72.8
249.14908	8.1
456.60123	3.0
471.08395	2.7
539.43268	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	582.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94683	0.9
53.03942	1.6
55.01853	1.4
55.05507	3.3
57.07070	6.7
65.03924	2.3
67.05508	3.7
69.03427	1.4
69.25970	4.6
70.78838	1.0
71.04980	3.5
77.03946	0.9
79.05490	7.3
81.07046	9.1
83.04964	5.8
85.06556	2.2
91.05466	32.9
93.07037	10.7
94.34486	1.0
95.04354	1.2
95.04956	22.7
95.08614	3.4
97.06524	2.2
103.05473	1.9
104.65329	1.0
105.04541	1.3
105.07020	38.8
105.07730	1.9
107.04981	1.8
107.08572	7.3
108.08113	2.3
109.06516	5.3
110.09679	1.2
111.08112	1.0
115.05442	9.5
116.06239	2.4
117.07009	52.1
119.04935	3.3
119.08568	13.8
121.06537	5.0
121.10151	2.5
123.08099	2.2
124.28888	0.9
125.16905	0.8
128.06190	14.6
129.06990	31.1
130.07782	9.7
131.08557	34.8
133.06499	4.3
133.10100	14.3
133.10991	1.0
135.08020	2.5
141.06978	5.2
142.07756	11.1
143.08551	29.2
143.09634	1.8
144.09312	2.0
145.06432	4.9
145.10109	53.0
147.08061	6.1
147.11632	4.4
149.09639	1.9
153.07013	3.5
154.07742	2.4
155.06050	1.8
155.08531	21.9
156.09334	6.6
157.10106	23.1
158.07298	2.8
159.08076	3.6
159.11678	8.2
161.09607	10.3
161.13255	3.4
163.07565	1.1
163.11221	1.2
165.07018	3.1
167.08606	1.4
169.10155	4.9
170.10925	2.8
171.08086	2.2
171.11694	10.5
173.09602	100.0
173.13287	4.2
174.10049	2.0
175.11185	11.6
175.14867	1.8
180.09315	2.3
183.11720	0.9
185.09587	1.8
185.13249	18.1
187.11226	3.4
189.12697	4.9
191.10623	8.6
192.13896	1.1
195.11708	6.2
198.10374	1.8
203.14288	17.9
213.12715	18.8
213.14664	1.6
231.13783	29.5
231.16043	1.9
233.11813	4.1
244.17029	2.2
249.14830	4.5
262.17963	1.3
265.44424	1.0
273.14841	1.2
275.16486	1.1
275.28241	1.0
311.29941	1.0
322.20047	9.0
364.24835	1.3
377.40109	1.0
382.22052	2.5
418.10498	0.9
427.90323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25163	1.7
53.03939	2.2
55.05503	15.3
57.03419	3.3
67.05484	7.3
69.03415	2.7
69.07062	2.7
71.04982	4.1
74.09690	7.4
79.05479	15.2
81.07031	14.8
83.04971	22.7
85.06526	3.1
86.29230	1.8
91.05474	34.9
93.07026	16.6
95.04958	22.3
95.08582	5.7
97.06512	4.7
99.04421	9.7
103.05452	3.7
105.07020	60.9
107.04936	3.2
107.08585	9.4
109.06515	9.6
115.05429	8.5
116.06178	5.5
117.07006	55.5
119.04939	4.0
119.08573	20.3
121.06466	5.3
121.10116	5.2
123.08052	2.7
128.06197	14.6
129.06989	38.1
130.07777	11.3
131.08553	49.4
133.06502	7.3
133.10107	20.9
135.08051	8.0
141.06978	4.0
142.07761	14.6
143.08537	41.5
144.09337	3.6
145.06459	8.3
145.10094	70.1
147.07985	8.1
147.11650	8.0
149.09595	6.5
153.06934	3.4
154.07813	2.4
155.06033	3.5
155.08527	19.7
156.09325	6.0
157.10101	24.4
158.07280	2.1
159.08046	4.2
159.11670	11.5
161.09589	13.2
161.13222	4.7
163.11154	4.6
165.06987	2.6
169.10097	6.0
170.10933	2.5
171.08020	4.2
171.11656	14.8
173.09595	100.0
175.11172	14.3
175.14792	5.4
180.09399	2.2
183.11665	2.4
185.13231	29.4
187.11163	4.8
189.12703	7.1
191.10681	21.1
195.11649	9.5
198.10379	2.4
201.12701	5.6
203.14304	22.9
213.12733	24.6
219.13878	3.2
231.13753	44.8
232.14085	2.3
249.14885	12.3
289.14331	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74566	1.2
53.03934	2.7
53.12794	1.2
55.01872	1.4
55.05255	2.1
55.05503	29.8
57.03430	1.4
57.86873	1.2
67.05501	7.0
69.03408	1.6
69.17404	8.4
71.04978	3.3
79.05479	9.3
81.07054	9.1
83.04968	71.5
83.93108	1.4
84.05269	1.6
85.06517	3.8
90.20720	1.4
91.05470	34.1
93.07042	12.1
95.04953	16.4
95.08585	3.8
97.06496	4.3
103.05460	2.5
105.07018	44.8
107.08572	6.0
109.06493	5.1
111.08031	2.3
113.38274	1.3
115.05428	11.2
116.06242	3.2
117.07005	47.8
119.04955	3.0
119.08565	14.2
121.06493	4.6
121.10115	3.2
123.08073	1.8
128.06201	18.9
129.06990	42.1
130.07758	8.8
131.04892	1.7
131.08543	48.4
133.06474	5.6
133.10126	12.5
135.08034	4.6
141.06995	5.0
142.07753	11.4
143.08548	42.5
144.09305	1.8
145.06435	8.1
145.10110	48.5
147.07994	7.1
147.11661	3.9
149.09599	5.3
151.07532	2.1
153.06937	6.2
154.07715	3.0
155.05948	1.8
155.08536	23.0
156.09302	6.8
157.10121	18.6
158.07224	3.0
159.08032	3.1
159.11700	10.4
161.09615	9.8
161.13242	4.6
163.11139	2.8
165.06978	6.0
167.08519	1.7
169.10121	5.9
170.10873	2.6
171.08040	7.6
171.11665	12.4
173.09598	100.0
174.09995	1.9
175.11125	8.0
175.14754	1.6
180.09337	3.9
185.09642	3.0
185.13239	23.1
187.11153	7.3
189.12686	4.9
191.10713	7.2
195.11665	10.9
198.10387	2.9
201.12849	1.4
203.14313	11.1
213.12708	35.8
231.13768	53.2
249.14764	4.1
273.14844	9.0
331.18781	2.2
349.20023	3.6
583.24902	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01863	0.8
55.05502	3.7
57.03433	1.3
57.07066	1.8
67.05493	3.9
69.03423	3.4
69.07057	7.1
71.04987	1.4
79.05502	1.7
81.03403	2.8
81.07048	7.9
83.08596	3.0
83.90468	0.6
85.02890	5.5
85.06532	2.5
87.00822	2.4
89.03894	6.8
91.05480	2.4
93.07046	3.6
95.04956	0.8
95.08591	10.9
97.02878	1.9
97.06520	3.4
97.10154	2.4
99.04420	1.0
99.08120	0.8
103.05376	0.8
105.01855	2.3
105.07003	5.5
107.08582	3.9
109.02867	1.6
109.06548	0.9
109.10136	11.1
111.11696	1.5
113.09637	7.3
117.03368	17.7
119.08547	2.9
121.10129	3.4
123.08099	0.7
123.11703	2.2
127.03912	2.5
127.11169	5.0
129.06984	0.7
131.08568	3.6
133.10114	85.2
134.03609	1.3
134.10437	2.2
135.04420	1.6
135.11685	2.6
137.09621	1.3
137.13289	1.5
139.11157	2.3
143.08498	0.7
143.32065	0.7
144.09277	0.8
145.02829	48.1
145.10080	2.0
147.04384	0.8
147.11642	0.9
149.05991	6.2
149.13255	1.7
153.12718	1.8
157.12198	0.8
158.10844	1.7
161.13257	0.8
163.03902	3.0
163.14780	1.0
171.13879	1.0
173.13232	24.0
174.13568	1.0
177.05444	100.0
178.05779	2.8
186.05455	1.0
191.14287	13.4
192.14783	0.7
195.06516	1.2
209.15393	0.7
245.22676	1.2
252.88136	0.6
263.23776	4.2
263.97470	0.6
268.40582	0.7
281.24728	23.5
299.25745	9.9
321.09552	0.8
339.10571	0.8
408.89523	0.6
420.20285	0.6
498.14249	0.6
563.10809	0.7
582.24243	1.3
583.18207	0.8
583.26764	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	582.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44495	1.7
55.01868	22.9
55.02113	2.9
55.05509	13.6
57.03429	6.8
57.07096	1.6
60.04521	2.3
65.03929	1.9
67.05502	24.1
69.03424	7.0
69.07071	13.3
71.04984	7.8
77.01128	1.8
79.05483	21.8
81.03424	7.2
81.07059	36.9
83.04987	21.4
83.08611	7.4
85.02906	11.3
85.06554	9.5
85.09807	2.1
87.00823	3.6
89.03886	2.2
91.05473	23.5
93.07057	20.1
95.04977	9.1
95.08615	16.4
97.02881	2.0
97.06564	6.2
97.10152	5.3
105.01842	4.9
105.07036	15.0
107.04927	4.6
107.08599	18.5
109.06528	2.6
109.10166	6.8
111.08091	4.7
113.05986	3.4
113.09648	4.7
117.07036	6.3
119.08593	8.0
121.06530	2.1
121.10136	12.3
121.97044	2.4
125.09631	100.0
125.60299	1.8
127.03978	3.9
129.07021	3.4
131.08557	9.0
133.10135	5.7
133.26430	2.2
135.08032	3.9
135.11699	3.7
137.09653	2.3
137.13245	3.0
139.11171	4.3
145.02872	8.2
145.10132	7.4
147.04428	10.0
147.11711	8.5
149.09612	4.8
154.06276	2.2
159.11665	6.5
163.03874	3.8
163.11192	2.8
165.12776	4.4
171.11711	2.7
173.13287	3.0
177.05486	14.0
177.12657	4.4
183.11682	2.5
189.11240	4.1
198.76321	1.9
231.05089	1.9
239.18068	2.8
241.14401	3.5
249.06021	2.4
255.15927	4.3
257.19064	5.1
275.20071	30.6
293.21127	34.2
311.22232	7.4
349.23633	8.0
367.24826	29.4
385.25864	16.0
404.95721	2.1
540.72260	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65694	0.9
53.03939	1.3
55.01876	1.0
55.05501	5.0
56.29522	0.9
57.03428	1.9
57.07072	26.6
65.03929	3.3
67.05502	7.3
69.03407	2.2
69.07050	1.5
69.75187	2.4
71.04976	3.2
77.03938	1.0
79.05491	9.3
79.46915	0.9
81.07053	10.7
83.04975	7.6
83.19738	0.9
85.06544	7.2
91.05475	37.7
93.07044	11.0
95.04964	19.3
95.08602	5.5
97.06532	4.9
103.05466	3.0
105.04530	1.2
105.07023	51.5
107.04953	3.1
107.08578	5.7
109.06516	7.8
110.09692	1.2
115.05437	10.0
116.06217	3.3
117.07008	53.5
119.04918	3.3
119.08563	15.3
121.06487	3.8
121.10103	3.2
123.08047	2.3
128.06200	15.9
129.06995	44.6
130.07793	9.2
131.08559	48.3
133.06448	7.0
133.10127	18.1
135.08038	5.6
137.05905	1.2
141.06976	4.9
142.07771	13.4
143.08554	42.2
144.09273	2.2
145.06503	4.9
145.10109	56.4
147.08037	8.2
147.11673	4.0
149.09601	5.5
151.07478	1.6
153.06998	3.3
154.07790	3.4
155.06071	1.5
155.08539	19.1
156.09375	6.5
157.06505	1.3
157.10118	24.2
158.07286	2.5
159.08070	2.8
159.11656	11.8
161.09596	12.1
161.13240	5.5
163.11201	2.8
165.07018	2.9
167.08641	1.4
168.09303	1.2
169.10080	5.4
170.10867	2.8
171.08044	4.7
171.11679	16.5
173.09605	100.0
173.13078	2.2
174.09958	2.4
175.11151	11.4
175.14828	1.7
180.09343	2.5
180.23528	0.9
183.11627	2.3
185.09557	1.7
185.13225	23.5
185.14740	1.9
186.25798	1.2
187.11186	6.0
189.12743	7.7
191.10637	11.9
195.11708	8.2
198.10422	1.9
201.12738	2.7
203.14316	17.0
206.71600	0.9
213.12723	24.3
231.13786	37.3
244.16879	1.3
249.14799	5.6
262.18069	2.2
275.16373	9.3
326.30716	1.0
333.20667	2.8
351.21509	1.3
364.24777	6.6
382.25690	1.5
392.42746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24183	1.3
50.50920	1.4
51.52172	1.4
55.05509	6.0
57.07074	17.8
67.05499	5.7
71.04985	3.2
77.24483	1.3
79.05502	6.6
81.07059	9.0
82.68118	1.4
83.04981	8.0
85.06525	6.9
91.05477	33.4
93.07035	11.6
95.04964	14.6
95.08631	3.8
97.06534	3.1
103.05473	3.5
105.07027	43.6
107.08598	5.2
108.08100	2.1
109.06539	5.1
115.05431	8.5
116.06260	2.9
117.07008	46.4
119.04940	2.0
119.08546	12.2
121.06511	4.7
121.10139	3.0
121.33421	1.3
123.08079	3.4
128.06223	15.1
129.06993	34.1
130.07774	8.0
131.08554	38.2
133.06493	4.6
133.10110	17.1
135.08032	2.8
137.06012	1.7
141.06960	5.7
142.07773	10.4
143.08554	35.5
144.09328	2.1
145.06473	5.0
145.10110	50.8
147.08029	7.0
147.11699	4.5
149.09613	3.9
151.07477	1.9
153.06992	2.3
154.07791	2.5
155.06087	2.3
155.08525	19.5
156.09314	6.7
157.06435	2.0
157.10124	22.9
158.07243	2.2
159.08052	3.7
159.11649	9.2
161.09587	12.2
161.13287	3.0
163.11194	2.1
165.06963	2.4
169.10170	5.0
170.10907	1.9
171.08092	3.8
171.11661	17.1
173.09608	100.0
174.09984	1.9
175.11172	11.2
175.14810	3.0
180.09264	2.2
183.08069	1.9
183.11656	2.3
185.09685	1.5
185.13213	20.0
185.14743	2.1
187.11232	4.9
189.12726	5.6
191.10599	11.9
195.11729	7.6
201.12730	1.8
203.14278	14.6
213.12703	22.9
231.13795	37.3
244.17116	1.8
249.14821	4.5
262.18106	1.7
275.16434	7.5
333.20706	2.8
355.34689	1.7
364.24805	7.4
382.25909	1.9
476.38541	1.5
593.77606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56290	0.2
59.01770	0.2
59.36744	0.2
63.02348	1.0
70.04223	0.3
70.04536	0.4
77.03942	0.2
79.05482	1.8
89.03912	11.7
91.05457	0.4
95.04968	0.8
105.04513	0.3
107.04956	3.0
107.64741	0.2
111.04448	0.6
117.03373	11.8
119.04932	0.3
135.04408	23.3
136.04765	0.5
137.02316	0.3
139.03897	1.1
145.02841	14.3
147.04398	1.8
150.03088	0.3
161.02310	0.5
163.03891	100.0
164.04214	1.9
165.01770	0.3
167.03458	0.4
171.07973	0.2
175.03862	0.7
177.05505	0.6
181.06477	0.6
184.05191	0.3
185.05916	0.4
189.01802	0.3
198.06798	0.2
199.07594	0.4
203.03416	0.3
205.04926	0.5
207.06476	0.3
209.06026	0.8
212.04749	0.5
213.05475	0.6
223.03983	0.3
224.04724	0.3
227.07033	1.0
229.04878	0.3
233.04443	0.4
237.05443	2.8
239.03259	0.3
239.07019	0.4
240.04163	0.9
241.04903	0.4
243.02928	0.4
251.03247	0.4
252.04121	0.3
252.07744	0.2
253.04939	0.7
254.05565	0.3
255.06360	1.6
257.04382	0.3
264.06281	0.4
265.04834	1.1
266.05780	0.3
267.02927	0.3
268.03561	1.0
269.04379	2.4
272.06522	0.3
279.02881	0.3
282.05191	0.6
283.05939	2.6
284.06268	0.2
285.03973	0.3
287.05447	1.0
293.04184	0.5
295.02307	0.4
295.05737	0.3
296.03146	0.5
297.03989	2.7
297.07227	0.5
300.06293	0.7
301.06909	0.5
310.04611	0.9
311.05466	2.6
312.06137	0.8
313.03528	0.5
315.08463	0.4
324.02383	0.4
325.03476	0.5
325.07074	0.6
328.05734	1.2
329.06580	0.3
331.04480	0.5
339.04849	2.1
340.05624	0.9
343.03912	0.4
343.08102	8.0
346.06732	0.5
353.06497	2.0
356.05280	0.6
357.06009	0.9
361.08969	1.5
371.07596	8.9
372.08160	0.5
385.09064	1.0
389.08691	1.1
403.10223	5.8
404.10455	0.4
421.11066	1.0
500.73724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43958	0.4
70.06635	0.4
70.83752	0.6
71.04968	0.5
74.92979	0.4
85.12064	0.5
114.09130	0.7
126.62778	0.5
137.05981	1.3
147.04402	0.6
163.03891	1.0
164.12129	0.4
171.24544	0.4
223.41237	0.4
361.22113	0.4
395.13110	3.7
523.18018	1.0
552.15521	0.5
583.19910	100.0
584.20331	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	583.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18399	0.2
58.45729	0.2
62.55065	0.2
64.29385	0.2
69.10694	1.0
69.11105	0.6
80.13286	0.2
80.42065	0.2
83.04943	0.3
85.02886	0.4
98.09689	0.2
105.03091	0.2
151.07561	0.4
163.03836	0.3
204.54111	0.2
215.03578	0.2
336.14505	0.2
350.67032	0.2
361.12506	0.8
395.13034	3.8
523.17932	0.8
583.19922	100.0
584.20294	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	583.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43850	0.2
62.76414	0.3
66.34081	0.2
71.59744	0.2
72.58353	0.2
81.30977	0.3
84.31188	0.2
85.02814	0.3
86.30662	0.3
95.08469	0.3
121.02746	0.4
184.11734	0.2
184.35007	0.3
271.04208	0.3
289.04987	0.5
335.18124	0.4
335.21875	5.5
336.21402	0.3
479.25793	0.6
497.27194	4.2
521.27039	0.9
539.28198	38.1
540.28461	1.4
565.26099	0.8
583.27167	100.0
584.27466	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10010	1.1
61.96827	1.1
85.02891	2.9
109.10175	1.7
147.11694	1.4
163.03886	2.2
166.08664	3.6
187.55988	1.2
255.21208	3.4
301.21588	3.3
315.10315	1.9
335.21793	6.0
487.74417	1.2
497.27106	4.6
519.19360	2.2
539.28241	32.9
551.22192	8.6
583.27124	100.0
584.27441	4.4
586.39740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	23.7
57.07074	15.7
59.05008	5.9
61.45205	3.7
67.05499	28.0
69.03432	5.9
69.07076	29.6
71.08631	7.5
71.28372	4.3
75.02007	4.8
79.05476	25.0
79.66367	4.6
81.07050	36.1
83.04981	10.6
83.08633	15.5
84.85404	4.2
85.06542	7.0
91.05474	57.2
93.07040	65.7
95.04958	16.7
95.08599	40.3
97.06557	7.2
103.05456	5.1
105.07021	82.7
107.08588	54.9
107.66022	4.1
109.06525	12.0
109.10156	30.0
115.05467	4.8
117.07013	14.8
117.35624	4.3
117.83630	4.5
119.08567	93.3
121.06485	5.7
121.10129	72.8
123.08067	15.6
123.11700	10.6
128.06204	17.1
129.06995	19.5
130.07794	5.9
131.08548	45.6
133.10095	39.1
135.08086	9.3
135.11667	19.6
137.09653	7.8
139.11255	5.6
141.06935	7.0
142.07735	26.3
143.08568	43.2
144.09381	6.1
145.10104	58.3
147.08066	11.9
147.11674	18.3
149.09621	18.6
153.07002	5.7
155.08548	14.6
156.09267	23.0
157.10144	48.3
158.10898	10.6
159.11632	41.1
161.09627	6.9
161.13263	10.3
163.11176	7.6
165.06963	9.2
165.09094	21.0
166.07813	4.7
167.08569	9.0
167.10643	68.0
168.09409	5.4
169.10091	30.4
170.10773	8.2
171.11664	33.8
173.09579	5.5
173.13246	32.0
175.14832	12.2
179.08542	24.9
180.09296	9.6
181.10132	20.2
182.10910	11.5
183.11650	38.1
184.12460	7.7
185.13246	21.5
187.14824	11.1
191.14302	8.2
192.09418	5.7
193.10143	14.4
194.10864	15.7
195.11710	25.1
196.12477	10.3
197.13202	22.5
199.14812	16.7
203.14421	6.9
205.10123	9.8
206.10912	5.7
207.11627	22.0
208.12460	12.7
209.13223	28.6
211.14854	15.9
212.57253	4.7
215.14352	7.2
217.15852	13.5
219.11708	12.1
220.12404	11.6
221.13216	21.0
221.15392	29.7
223.09428	8.3
223.14792	14.5
231.11687	9.8
233.13182	14.5
233.15355	26.9
234.13918	7.1
235.14787	14.5
237.16370	12.2
243.17433	4.7
245.13217	11.2
246.13965	5.8
247.14819	12.3
249.16368	10.7
251.18001	7.6
257.18930	5.1
259.14832	6.3
260.15631	4.6
261.16394	14.4
263.17902	7.4
265.19495	5.5
275.17999	13.4
279.17300	5.4
283.20532	16.1
287.17722	6.7
301.17648	7.6
309.22116	5.1
317.22638	6.1
349.25116	6.4
403.29849	7.1
491.35129	9.0
520.39740	5.1
565.39893	23.3
583.32648	7.7
583.41327	100.0
584.41809	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.3
56.42479	4.5
57.07054	6.8
67.05494	13.1
69.03401	6.8
69.07040	9.7
69.18625	18.2
69.19028	10.7
73.95977	5.1
79.05483	14.4
81.07050	21.4
83.04955	5.5
83.36263	4.1
91.05460	23.4
93.07035	32.2
95.08595	19.2
105.07011	40.3
107.08576	19.1
109.06542	6.9
109.10143	12.3
111.08113	4.8
117.06977	8.4
118.85446	4.8
119.08563	41.1
121.06519	9.0
121.10121	16.9
123.08064	13.6
123.41642	4.9
129.06956	5.9
131.08556	12.0
133.10107	26.1
134.39279	4.6
135.08015	11.6
135.11670	11.7
136.23228	4.8
137.09610	21.2
137.89912	4.7
142.06638	4.4
142.07709	6.9
143.08604	15.1
145.10141	27.5
147.08035	28.0
147.11668	11.5
151.07501	6.2
155.08539	7.7
156.09326	10.9
157.10123	18.8
159.11655	15.8
161.13158	7.4
165.09113	50.7
169.10126	13.9
171.11655	12.8
173.13263	8.0
175.14809	5.7
182.10938	5.7
183.11723	15.2
187.14738	6.2
195.11714	7.7
197.11693	6.3
203.14313	15.8
209.13266	4.5
221.13245	9.3
221.15340	100.0
223.14890	6.0
583.41034	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	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	2.9
53.03933	3.8
55.05507	26.5
57.07062	15.7
59.04977	4.9
65.03920	5.4
67.05495	31.1
68.28786	2.9
69.03411	11.5
69.07056	23.4
77.03915	5.4
79.05482	39.3
81.07045	49.8
83.04976	12.2
83.08601	10.2
85.06530	8.5
91.05468	67.8
93.07035	74.9
95.04959	22.8
95.08591	41.1
97.06525	5.9
98.23471	9.9
103.05453	8.0
105.04520	2.7
105.07016	94.0
107.08582	69.2
109.06490	14.6
109.10151	29.2
111.08099	4.7
111.11641	2.6
115.05428	7.5
117.07024	25.6
119.08569	100.0
121.06483	6.1
121.10131	67.7
123.08058	19.2
123.11694	5.8
125.06007	3.9
125.09574	2.9
128.06181	13.3
129.06982	29.2
130.07771	11.2
131.08548	47.8
133.06442	4.3
133.10112	48.5
133.11031	4.2
135.08034	12.3
135.11688	18.6
137.09612	11.5
139.11121	4.2
141.06963	13.1
142.07753	37.7
143.08545	56.4
144.09296	11.2
145.06439	2.3
145.10112	75.3
147.08032	22.8
147.11664	22.3
149.09607	9.4
149.13235	4.7
151.07523	17.8
151.11119	2.8
153.07007	4.7
153.09016	3.4
154.07745	5.7
155.08536	25.3
156.09335	26.3
157.10115	70.6
158.10843	11.4
159.08023	6.2
159.11658	28.1
161.09579	7.9
161.13242	9.2
163.11174	10.4
165.06995	7.6
165.09090	34.2
166.07784	3.3
167.08551	14.4
167.10661	15.0
168.09334	10.5
168.32707	2.7
169.10118	42.0
170.10867	11.3
171.11671	38.4
171.73715	2.7
173.09599	3.7
173.13272	28.4
175.11163	5.4
175.14835	10.2
178.07722	5.9
179.08521	24.1
180.09303	11.0
181.10098	23.8
181.12280	5.3
182.10895	8.9
183.11670	41.8
184.12453	11.0
185.09665	3.4
185.13258	23.9
187.14821	8.6
189.12708	6.5
191.08531	2.8
191.14246	12.7
192.09354	7.9
193.10115	20.3
194.10909	14.1
195.11635	30.5
195.13385	4.2
196.12413	5.8
197.13181	26.3
199.11099	3.6
199.14815	19.5
201.12697	3.9
201.16351	3.3
202.07758	2.7
203.14272	15.7
205.10100	6.4
206.10916	12.9
207.11665	28.1
207.13808	7.6
208.12439	12.0
209.13211	40.5
209.15189	3.2
210.13924	3.4
211.14781	15.0
213.12726	3.5
213.16377	4.2
215.14281	3.8
217.10103	6.2
217.15846	10.9
218.10953	3.7
219.11720	12.2
220.12422	6.5
221.13217	19.7
221.15359	59.9
222.14001	6.5
223.14812	16.3
223.16737	3.1
224.15578	2.5
225.16357	7.2
227.14377	4.0
230.10902	4.7
231.11662	6.7
232.12462	9.9
233.13202	11.3
233.15359	7.6
234.13957	7.1
235.14687	15.5
236.15668	2.7
237.16341	9.8
239.14430	3.3
239.17966	4.5
243.11601	5.3
244.12387	4.4
245.13216	13.4
246.14059	6.2
247.14757	13.8
247.16997	3.9
248.15584	4.3
249.16350	11.5
250.17082	3.7
251.17935	7.1
257.13126	4.8
257.19034	6.5
259.14761	5.9
260.15527	7.9
261.16208	13.4
263.17816	4.0
265.19434	10.8
269.18994	3.7
271.23776	2.5
272.15720	3.3
273.16217	7.7
274.17145	3.0
275.17990	13.2
276.18671	2.8
277.19608	4.4
283.20477	15.7
285.16040	2.9
286.16800	3.5
287.17633	4.1
288.18610	3.9
289.19351	7.6
291.17569	2.6
291.20972	2.8
295.20523	4.6
297.21970	3.1
299.17697	3.0
300.20874	4.2
301.19299	3.4
315.20743	3.1
329.22156	2.5
331.24155	6.7
349.25293	5.8
375.26700	5.0
403.30026	3.2
491.34619	6.5
503.34766	2.7
511.35895	2.7
535.25378	2.6
547.39435	3.3
565.40466	16.6
583.32849	4.1
583.41400	66.7
584.41553	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	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.6
53.03944	3.9
55.05503	20.4
56.96556	3.0
57.07071	13.9
59.04981	5.2
65.03934	2.9
65.49738	1.7
67.05497	25.4
69.03422	7.8
69.07058	21.7
69.57850	7.4
71.04973	2.2
71.08611	2.1
72.19215	1.5
77.03929	3.2
79.05485	31.8
80.54543	1.6
81.07048	40.1
83.04950	9.6
83.08616	8.1
85.06514	6.5
89.06004	3.2
89.51781	1.9
91.05470	59.7
93.07037	64.9
95.04951	16.9
95.08590	35.6
97.06541	4.5
97.10152	1.9
98.22754	3.5
98.97606	1.7
100.11234	5.0
103.05462	4.5
105.04523	5.1
105.07014	86.8
107.08582	56.2
109.06532	12.7
109.10133	21.5
111.08100	5.0
115.05455	6.9
116.06258	2.1
116.98601	2.3
117.07001	24.0
119.06098	2.9
119.08569	100.0
120.08849	2.1
121.06508	4.1
121.10133	52.4
123.08060	18.2
123.11693	5.9
125.05988	3.1
125.09605	3.7
128.06201	15.8
129.06982	22.4
130.07794	8.9
131.08551	44.4
133.06509	4.9
133.07631	2.0
133.08589	2.0
133.10120	49.6
135.08037	12.5
135.11682	13.2
137.09575	11.3
141.06956	13.1
142.07756	31.7
143.08551	48.3
143.09637	3.8
144.09369	11.1
145.06456	2.1
145.10098	64.2
145.11218	3.7
147.08025	17.7
147.11653	16.6
149.09610	6.2
149.13252	3.4
151.07526	16.5
151.11157	2.3
153.06976	4.8
154.07773	5.1
155.08537	23.7
156.09328	27.4
157.10107	61.6
158.10919	12.1
159.08034	6.4
159.11681	29.6
160.12379	2.4
161.09599	5.7
161.13219	8.9
163.11220	5.2
165.07008	14.5
165.09093	37.0
166.07756	2.7
167.08542	15.5
167.10643	11.2
168.09317	11.6
169.10112	35.5
170.10890	11.6
171.08028	2.1
171.11650	35.7
173.09583	5.7
173.13239	27.8
175.11253	4.1
175.14841	7.5
178.07869	4.2
179.08548	15.1
180.09282	10.0
181.10057	20.6
181.12271	4.8
182.10837	13.4
183.11664	36.9
184.12515	5.6
185.09605	3.1
185.13237	19.0
187.11147	4.8
187.14813	8.5
189.12788	6.5
191.08563	3.6
191.14322	7.7
192.09280	5.7
193.10130	21.2
194.10857	16.6
195.11667	27.3
196.12416	5.7
197.13196	22.8
199.11172	2.8
199.14810	20.3
201.12717	2.7
201.16377	3.7
203.05959	2.2
203.14249	11.0
204.09248	3.1
205.10150	5.9
206.10854	9.1
207.11696	21.9
207.13782	6.4
208.12404	10.2
209.13246	35.6
210.13911	4.2
211.11165	2.3
211.14740	12.1
213.12773	2.2
213.16335	4.4
215.14241	2.7
216.09273	2.0
217.10141	5.9
217.15904	9.5
218.10890	6.2
219.11682	11.6
220.12529	9.4
221.13229	19.9
221.15387	47.9
222.13971	3.4
223.14740	14.6
225.12828	3.5
225.16434	4.7
227.14383	2.3
227.18097	2.4
229.10255	2.1
230.10843	3.2
231.11659	11.4
232.12489	6.7
233.13260	16.8
233.15398	6.6
234.14069	5.9
235.14798	13.2
236.15469	3.0
237.16275	9.6
239.14372	1.8
239.17992	4.7
243.11557	3.9
243.17473	2.3
244.12532	3.5
245.13206	9.8
246.14029	9.4
247.14777	11.7
248.15543	4.9
248.85973	1.8
249.16290	10.0
250.17128	3.4
251.18016	6.4
253.15825	3.3
253.19496	2.8
255.17480	2.7
257.13123	4.8
257.18954	8.5
258.14087	5.6
259.14847	8.7
260.15573	8.3
261.16400	8.4
262.17117	3.0
263.18021	6.2
265.19479	6.5
268.18451	1.8
269.13260	2.4
269.19058	3.8
271.14883	3.6
273.16379	8.1
274.17010	3.1
275.17838	11.2
277.19437	3.8
279.21008	2.8
281.18906	3.2
283.20541	15.3
285.16251	3.4
286.16943	2.9
287.17758	4.7
289.19510	3.8
290.20248	2.7
293.18933	2.5
295.20624	4.7
297.21927	2.1
299.17776	2.5
300.20853	3.0
303.20914	2.5
309.22104	2.7
317.22589	2.7
325.18628	2.0
329.22733	3.2
331.24200	6.5
339.21371	2.6
349.25204	5.1
361.25162	2.3
375.27020	4.3
403.29922	3.6
430.28900	2.4
491.34998	2.9
503.35141	2.4
547.39233	3.4
565.40192	20.3
583.26599	4.0
583.41357	82.6
584.41791	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86657	1.8
51.02379	2.2
53.03950	3.7
53.61253	1.8
55.05502	19.1
57.07067	12.5
65.03922	5.4
67.05499	26.2
69.03416	8.0
69.07059	24.7
71.05011	2.0
76.17089	1.7
77.03972	2.2
79.05476	26.4
81.07050	43.1
83.04967	8.9
83.08621	6.0
85.06551	5.4
91.05468	56.4
91.91191	1.9
93.07035	62.4
93.07600	3.7
95.04956	18.5
95.08595	37.8
97.06521	6.4
97.10144	2.5
103.05450	6.0
105.04531	3.3
105.07024	80.5
105.07736	4.0
107.04889	2.1
107.08581	54.7
109.06500	11.4
109.10137	26.3
111.08090	3.8
111.11730	1.9
115.05460	4.9
117.06988	21.6
119.08563	100.0
120.79335	2.3
121.06496	4.2
121.10128	64.0
123.08064	16.4
123.11694	5.1
125.05958	4.0
125.09637	3.1
128.06180	13.5
129.06982	20.5
130.07782	8.2
131.08553	45.9
133.06500	3.1
133.10120	40.6
133.11125	2.5
135.08060	8.4
135.11670	20.0
137.09612	12.5
139.11166	3.7
141.06898	8.9
142.07770	26.4
143.08531	44.8
144.09351	9.2
145.06461	1.9
145.10103	56.2
145.11223	3.4
146.10536	2.5
147.08028	11.9
147.11659	16.9
149.09615	11.1
149.13263	4.4
151.07523	10.3
153.06999	5.2
154.07796	5.3
155.08524	22.2
156.09335	18.8
157.10106	56.1
158.10898	10.3
159.08063	6.5
159.11678	34.5
161.09633	5.9
161.13272	7.7
163.11169	9.9
165.06992	9.6
165.09102	16.9
166.07779	3.6
167.08589	11.8
167.10652	41.7
167.12010	2.9
168.09338	9.0
169.10106	33.6
170.10872	9.9
171.11653	35.4
173.09634	4.2
173.13258	26.2
175.11208	4.1
175.14833	13.4
177.09077	1.9
179.08534	17.4
180.09329	8.0
181.10062	19.0
181.12259	5.0
182.10936	9.5
183.11664	29.1
184.12437	6.6
185.13242	17.2
187.11215	2.8
187.14796	7.3
189.12733	3.9
191.08591	2.5
191.14311	7.7
192.09372	8.5
193.10156	16.4
194.10905	13.6
195.11705	24.8
195.13501	3.8
196.12466	7.9
197.13228	22.9
198.13911	3.2
199.11151	1.9
199.14796	20.6
201.12746	2.1
201.16389	4.3
203.14268	11.1
205.10143	7.8
206.10928	8.4
207.11703	21.9
207.13675	4.0
208.12439	9.9
209.13222	31.6
209.15205	4.2
210.13905	3.2
211.11192	3.0
211.14734	12.9
212.15265	2.3
213.12576	2.1
213.16441	6.3
215.14282	6.3
217.10094	4.8
217.15903	8.6
218.10887	2.7
219.11795	9.1
219.17459	2.1
220.12480	8.1
221.13260	19.1
221.15393	38.7
222.13942	6.1
222.17999	1.9
223.11261	2.0
223.14778	14.8
225.12750	3.5
225.16418	8.0
229.15889	2.1
230.10919	2.5
231.11700	7.2
232.12534	4.0
233.13210	10.2
233.15404	13.5
234.14015	4.2
235.14841	15.5
237.12654	2.8
237.16377	7.8
239.14311	2.8
239.18019	5.4
243.11746	2.6
245.13280	8.5
246.14041	6.4
247.14799	8.2
247.17032	4.2
248.15541	4.2
249.16347	10.2
250.17009	2.4
251.17982	7.4
255.17444	2.8
257.13260	5.6
257.19006	5.9
258.13998	4.2
259.14880	7.0
260.15497	4.8
261.16364	8.6
262.17212	3.6
263.18024	8.3
265.19479	6.6
269.18979	4.6
271.20547	3.0
273.16425	5.3
274.16922	3.2
275.17758	11.5
277.19498	5.1
279.17462	2.6
283.20551	15.5
285.16101	2.5
287.17706	3.4
287.20453	3.0
289.19559	5.8
295.20547	4.9
299.17676	2.2
299.20517	2.6
300.21106	2.3
301.19318	3.0
307.20392	3.6
312.18573	2.5
317.22437	3.0
329.22589	2.1
331.24289	5.0
335.23633	2.6
343.24063	3.1
349.25275	5.8
361.25305	2.7
375.26730	5.4
491.34665	7.0
509.34213	2.8
538.19958	2.2
565.40118	16.6
583.41315	83.8
584.41254	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78806	7.1
57.01862	7.4
57.07075	11.5
65.53965	8.4
67.05511	15.6
69.03362	9.4
71.08639	8.5
79.05481	16.8
81.07047	30.7
83.05007	12.8
91.05465	43.3
93.07040	43.6
95.04940	13.1
95.08604	37.9
97.06528	10.9
105.07020	67.3
105.65070	9.0
107.08589	33.3
109.10177	15.2
117.07043	18.9
119.08562	48.6
121.10130	34.8
123.08061	15.4
129.07054	9.6
131.08563	25.2
133.10143	29.6
135.11674	9.3
137.09596	11.0
142.07741	18.5
143.08574	27.2
145.10126	38.8
147.08052	21.1
151.07584	14.5
155.08554	16.8
156.09283	16.7
157.10124	40.4
159.11708	21.4
161.09557	10.7
161.13231	9.1
165.09123	36.5
169.10126	11.6
171.11681	17.4
173.13213	16.2
177.14569	8.4
181.10181	10.2
183.11761	23.9
185.13242	21.1
193.10178	9.4
194.45039	9.2
195.11546	20.8
197.13318	13.8
199.14864	10.2
203.14244	12.4
207.11598	9.4
209.13202	19.5
221.13347	19.5
221.15399	52.1
223.14761	14.9
237.16364	10.8
259.14978	9.4
375.27731	9.7
417.15646	9.7
520.03125	9.4
565.40131	20.0
583.41321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.5
57.07062	8.6
59.04986	3.3
67.05497	22.8
69.03418	7.8
69.07059	18.7
70.55905	4.5
77.03935	3.6
79.05481	28.0
81.07047	40.0
83.04977	7.9
83.08605	9.3
85.06545	8.7
90.95628	2.3
91.05466	52.2
91.22182	3.2
93.07037	57.6
95.04960	14.0
95.08588	32.3
97.06522	5.1
97.10172	4.0
103.05431	4.8
105.07015	77.8
105.11709	2.8
107.08579	57.5
109.06492	10.2
109.10140	28.0
111.08071	3.9
115.05453	6.4
117.06971	21.8
119.08567	100.0
121.06502	4.5
121.10121	54.7
123.08083	12.7
123.11684	7.7
125.06032	3.1
128.06163	15.3
129.06978	26.8
130.07770	10.9
131.08554	35.4
133.06517	4.9
133.10109	54.7
135.08040	12.3
135.11661	18.1
137.09621	11.3
137.34344	2.7
139.11122	3.0
141.06952	13.3
142.07771	29.1
143.08556	40.7
144.09290	5.3
145.10107	61.8
147.08040	15.2
147.11662	22.3
149.09647	10.4
149.13239	3.6
151.06512	3.0
151.07483	14.6
151.11229	3.1
153.06967	6.7
154.07733	5.0
155.08536	23.5
156.09332	24.3
157.10107	59.5
158.10851	8.7
159.08018	6.6
159.11664	30.6
161.09631	7.7
161.13260	9.5
163.11205	10.3
165.07010	6.8
165.09084	27.0
167.08542	15.6
167.10648	16.8
168.09377	9.2
169.10118	34.2
170.10878	10.8
171.11644	35.3
173.09659	4.5
173.13222	36.7
175.11143	5.9
175.14853	12.4
179.08516	17.3
180.09308	9.7
181.10077	20.4
181.12292	6.5
182.10904	12.4
183.11667	31.0
184.12416	7.7
185.13226	21.7
187.11235	3.7
187.14874	7.7
189.12709	6.0
191.14304	12.0
192.09354	5.1
193.10063	18.5
194.10855	15.0
195.11661	29.2
196.12404	7.6
197.13231	22.8
199.14816	20.6
201.16324	5.2
203.08636	2.8
203.14297	16.8
205.10141	6.1
206.10837	13.6
207.11714	26.3
207.13675	5.0
208.12434	5.5
209.13239	29.8
209.15192	4.0
210.13881	5.0
211.14836	13.8
213.12834	4.5
213.16342	5.8
215.14455	3.4
217.10153	5.4
217.15929	13.4
218.10791	4.5
219.11615	12.8
220.12433	7.1
221.13258	21.3
221.15379	51.1
222.13924	4.0
223.14862	17.4
224.15596	6.6
225.12816	3.9
225.16350	9.5
229.15846	3.4
231.11650	7.1
231.17398	3.5
232.12456	4.2
233.13268	14.2
233.15428	10.2
234.14037	4.4
235.14777	14.8
236.15663	3.1
237.16425	9.6
239.17981	5.2
244.12415	4.4
245.13248	10.0
246.14018	5.9
247.14835	10.2
248.15599	7.0
249.16420	11.5
250.17122	3.3
251.17993	6.7
252.18829	3.1
255.17332	3.1
257.13177	6.2
257.18924	10.1
258.13623	2.9
259.14908	9.3
260.15604	9.6
261.16376	12.7
262.16870	3.6
263.17923	5.1
265.19519	13.4
269.12964	3.1
271.20575	4.6
273.16245	5.6
275.17792	14.5
277.19513	4.5
278.34698	3.0
283.20557	16.4
285.22043	3.2
287.20178	6.0
291.21045	3.9
293.18826	4.4
295.20563	3.4
299.20453	3.5
300.21109	3.6
301.19278	3.2
307.20471	3.5
322.77444	2.9
331.24301	7.8
333.67145	3.0
349.25305	12.3
357.25821	3.6
361.25174	3.4
375.26947	4.2
403.29892	4.0
491.34958	4.5
547.38916	5.0
565.40344	18.2
566.40985	3.1
583.41272	93.2
584.42017	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	584.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81742	0.5
53.03932	1.1
57.03425	0.4
63.02385	0.4
63.08691	0.4
64.81015	0.4
65.03943	2.4
68.12357	0.4
69.03423	3.9
70.06589	0.5
71.04948	0.5
79.05491	2.5
81.03407	6.0
85.02900	3.9
88.93343	0.4
89.03902	1.2
91.05476	4.3
93.03389	1.8
95.04915	0.6
97.02892	10.1
99.04430	1.8
106.02398	0.5
107.04969	2.2
109.02867	3.7
111.04430	1.3
117.03373	2.2
119.04917	0.8
121.02843	0.9
123.04375	0.7
127.03899	5.7
135.04410	2.6
137.02298	0.5
137.05989	3.0
139.03841	1.3
144.34039	0.5
145.02867	0.7
145.04974	3.0
147.04375	2.2
149.02332	0.6
163.03889	5.4
173.03506	0.8
177.01859	0.6
178.02603	1.9
179.03384	1.0
179.07001	0.6
189.09160	0.4
191.03358	100.0
192.03706	1.7
209.04425	1.9
227.05409	0.5
255.06454	0.6
265.05103	0.5
269.04178	0.5
283.06064	0.6
284.08966	0.6
311.05539	0.8
335.07544	9.8
353.08575	8.2
361.15750	0.6
371.09055	0.8
381.07159	0.7
399.08423	1.8
461.08728	1.0
489.08533	0.9
492.12881	0.6
521.10779	2.7
563.71259	0.5
585.21710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
56.66506	0.6
61.02903	0.6
68.25366	0.6
77.03924	1.3
77.44440	0.6
81.03394	0.9
85.02894	3.2
91.05474	0.8
95.04926	0.8
97.02900	1.4
98.03153	0.6
99.04430	0.9
103.05460	36.0
107.04949	0.6
115.05411	0.6
127.03902	0.9
129.06958	0.9
131.04919	100.0
132.05264	1.0
133.06516	0.6
137.05946	8.0
145.02855	1.5
153.05489	1.0
160.05269	0.7
161.06013	0.7
163.07535	48.9
164.07866	1.1
167.07042	4.6
172.05188	1.0
175.07544	4.8
177.05496	1.8
187.07516	1.2
189.05406	0.9
206.05861	0.7
218.05818	0.9
221.08130	2.4
233.08066	14.3
235.09546	0.6
251.09174	1.6
263.09128	2.6
373.80991	0.7
387.14355	2.6
453.16351	0.7
509.59598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17926	0.5
53.03920	0.6
55.01872	4.3
55.05504	1.1
57.03432	0.6
61.71008	0.5
69.03427	2.2
69.08158	3.9
71.04978	0.8
75.62565	0.6
77.03909	0.7
77.43339	0.6
81.03395	1.3
81.07017	0.6
85.02906	4.5
86.06051	0.8
91.05470	1.4
95.04964	2.3
97.02874	2.6
99.04443	3.0
100.07644	0.9
100.11245	2.0
103.05461	39.5
105.04507	0.9
105.07012	0.7
107.04916	1.2
111.04448	1.4
115.05444	1.0
117.07014	1.6
123.04427	1.9
127.03918	0.6
129.06973	1.1
131.04918	100.0
131.08595	1.9
132.05267	1.2
133.06496	1.5
135.04465	0.9
137.05946	3.6
145.02884	1.0
145.04933	0.9
145.06458	2.0
147.04472	1.0
153.05437	1.4
155.07069	0.9
157.06488	1.2
159.08052	1.8
161.05984	2.3
163.07527	38.7
167.07085	3.0
172.05171	2.3
173.05997	1.7
175.07535	1.1
180.08655	0.9
182.15416	2.7
183.06570	1.2
185.05927	0.7
187.07446	0.8
189.05452	2.6
196.13319	1.5
200.04646	0.7
203.07051	1.9
204.07787	1.5
206.05728	0.8
207.10240	0.8
210.14882	1.9
217.08672	1.8
218.05702	2.0
221.08064	2.6
233.08081	15.0
235.09532	0.9
251.09154	4.2
263.09128	15.9
281.10181	2.6
288.01968	0.7
303.04742	0.7
359.44510	0.7
459.66077	0.7
521.11261	0.7
584.39990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.05500	3.0
57.03418	1.1
60.97613	0.7
61.02901	1.2
61.80216	0.8
65.03954	0.9
67.05486	5.6
67.19932	0.8
69.03423	3.8
69.07044	0.9
70.06580	1.9
71.04985	2.1
71.41310	1.1
77.03912	1.1
79.05482	13.8
81.03406	1.9
81.07039	8.1
83.04963	2.4
85.02880	9.6
91.05460	4.5
93.07030	3.0
95.04968	6.7
95.08599	1.9
97.02879	3.1
97.06516	4.8
99.04432	5.5
105.07007	6.6
107.04940	22.1
107.08558	2.6
108.54485	0.8
109.02857	2.5
109.06494	3.5
109.10139	26.1
110.10455	1.1
111.04414	3.7
116.78084	0.8
117.07017	1.5
119.08559	9.9
121.06437	1.6
121.53302	0.9
123.04399	1.1
125.05993	3.2
127.03886	2.0
128.06213	3.2
129.06998	3.2
133.06377	1.0
133.10114	11.1
135.11659	0.9
137.05959	1.4
137.09599	50.0
143.06963	1.4
143.08553	12.2
145.02748	0.9
145.04936	5.0
145.06406	1.5
145.10132	1.2
146.07260	1.8
147.04355	1.7
147.08032	20.3
151.11143	0.9
161.09598	89.9
162.09961	1.7
163.03845	2.3
163.06003	2.2
163.07487	1.1
163.11124	4.1
165.09096	87.5
166.09369	1.3
167.07002	2.2
171.07964	1.3
174.06749	1.5
175.07574	1.6
177.01859	1.7
177.05415	1.5
179.10616	9.6
180.08589	1.3
183.10085	1.1
184.34833	0.9
189.09081	12.3
197.11661	3.8
207.10132	100.0
208.10483	3.1
209.04459	2.5
225.11180	90.6
226.11681	1.8
233.08073	2.7
243.12234	7.6
312.85715	0.8
387.16428	1.8
585.14178	1.1
594.59814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.5
57.03423	4.7
62.67825	4.2
67.05510	4.2
67.93810	3.6
69.03426	18.4
79.05484	10.4
81.03414	12.8
81.07053	11.4
83.04943	5.0
85.02899	47.1
85.06543	4.6
87.00846	17.4
91.05484	15.1
93.07015	5.6
95.04960	14.3
95.08602	4.9
97.02890	13.1
99.04462	7.9
105.01865	13.6
105.07023	35.9
107.08584	11.4
109.02881	14.5
115.05478	5.4
117.06992	24.5
119.08572	9.6
123.11701	11.0
127.03905	28.3
128.06247	9.1
129.07016	19.9
130.07777	4.3
131.08556	25.5
133.10126	12.7
142.07759	5.5
143.08519	24.2
145.04945	16.1
145.06424	7.7
145.10110	36.5
147.08023	5.7
149.05994	7.8
155.08583	5.5
157.10085	10.1
159.02907	9.3
159.11621	6.6
161.09590	7.7
163.07553	17.7
165.07013	4.5
165.09099	100.0
166.27972	4.1
171.11700	10.7
173.09613	49.1
175.11192	7.4
185.13252	10.2
189.23680	4.6
191.10654	21.0
203.14336	11.7
205.12225	95.8
213.12787	12.7
217.12267	16.7
231.13811	27.3
232.89014	4.2
245.15253	4.4
249.14699	4.2
270.97992	4.1
274.27411	17.0
301.21591	85.6
319.22784	5.3
331.65820	4.1
336.07874	4.5
356.05548	4.3
502.62036	4.3
529.54883	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	584.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35227	1.9
55.01866	2.9
55.05504	5.0
56.13619	2.1
57.03418	1.9
65.03915	2.3
67.05493	10.4
69.03429	4.3
70.84539	3.5
71.04985	4.2
74.09710	5.1
79.05476	13.7
81.03421	4.5
81.07050	9.4
83.04967	11.2
91.05477	31.9
93.07043	10.4
95.04961	100.0
95.08609	3.7
97.06544	5.8
99.04443	2.4
103.05482	3.0
105.07024	40.6
107.04935	3.5
107.08587	8.4
109.06506	11.2
111.38547	2.3
115.05465	10.4
117.07007	26.0
119.04957	3.9
119.08566	23.8
121.06493	9.7
121.10169	2.5
123.08051	3.8
125.05972	3.6
128.06212	36.6
129.06979	31.0
130.07777	3.3
131.04892	10.3
131.08554	37.2
133.06487	10.4
133.10143	9.8
134.76556	2.1
135.08044	6.6
140.56587	1.9
141.06970	9.4
142.07751	7.9
143.08545	65.2
144.09288	4.5
145.06468	27.1
145.10091	23.3
146.07286	3.0
147.08044	19.9
147.11690	2.5
149.05972	3.6
150.89064	1.9
151.07553	2.2
153.06956	3.1
154.07727	7.0
155.06044	4.4
155.08549	16.8
157.10146	14.2
158.07253	2.5
159.08032	17.1
159.11674	16.0
161.09586	19.2
165.06999	2.5
167.08611	5.0
168.09311	10.0
169.10097	8.4
171.06561	2.9
171.08043	48.9
171.11641	2.9
172.08830	5.1
173.09579	22.8
173.13254	15.9
175.11137	4.6
177.09123	4.9
181.10153	2.6
183.11679	26.2
185.09602	3.4
187.11148	12.4
189.09123	22.2
191.06979	2.1
193.10132	3.1
196.08786	4.6
199.11172	4.4
201.12720	42.1
203.10672	4.6
211.11153	19.5
217.12094	2.1
219.13823	5.3
229.12225	71.0
247.13261	27.4
289.14352	8.0
292.89856	2.5
307.15268	15.8
367.17480	5.0
386.78146	2.5
431.46191	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02892	1.2
53.03937	2.8
55.01880	3.1
55.05507	5.8
56.97205	1.4
59.04980	1.6
65.03953	2.0
67.05512	14.3
69.03443	3.3
69.07063	2.9
69.57083	1.3
71.04988	5.9
77.03934	1.8
79.05487	19.5
81.07056	17.9
83.04986	7.1
85.06539	6.5
91.05477	51.5
92.17496	1.3
93.07039	25.1
95.04965	33.4
95.08611	12.7
97.06530	6.1
99.04424	1.5
99.08125	1.8
101.06007	1.7
103.05463	3.6
105.04543	2.4
105.07025	75.3
107.04960	6.3
107.08592	15.4
109.06499	9.1
109.10140	2.2
111.04417	1.7
111.08115	1.7
112.07618	1.7
115.05455	9.7
116.06226	3.6
117.07014	51.4
119.04955	3.3
119.08568	31.9
120.08943	1.6
121.06505	14.2
121.10175	7.0
123.04433	1.4
123.08076	3.6
128.06203	16.9
129.06996	30.0
130.07803	14.3
131.04904	3.5
131.08557	41.5
133.06468	15.3
133.10120	28.8
135.08026	8.9
135.11700	3.9
137.09624	2.1
141.07021	7.0
142.07782	14.5
143.08554	48.5
144.09265	3.0
145.06461	9.2
145.10117	100.0
147.08040	16.5
147.11667	12.2
149.05994	1.9
149.09607	10.1
151.07556	2.6
152.30298	1.2
153.06973	3.3
154.07742	1.9
155.08549	18.8
156.09355	5.1
157.10118	33.3
158.07259	2.3
159.08057	3.7
159.11710	13.1
161.09608	19.1
161.13264	4.7
163.07553	1.4
163.11157	10.9
165.07005	4.6
165.73807	1.6
169.10144	5.0
170.10992	4.6
171.08063	6.2
171.11673	10.3
173.09610	94.2
173.13292	4.1
174.10034	2.4
175.11182	17.2
175.14822	7.0
177.09073	2.0
179.10675	1.8
180.09343	3.4
183.08072	1.7
183.11752	3.9
185.09698	1.9
185.13245	36.3
187.11201	5.9
189.08972	1.7
189.12708	9.6
191.10670	42.1
195.11700	8.1
198.10368	3.3
201.12782	4.8
203.14294	31.5
204.14651	2.1
213.12726	25.6
219.13713	1.7
231.13800	49.3
249.14923	7.8
277.10672	2.5
317.96677	1.5
335.14835	2.7
353.15991	4.4
366.19119	3.6
384.20218	5.9
607.36890	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82151	2.8
53.99865	3.0
58.61179	2.7
63.72112	2.8
67.05499	7.8
69.35119	12.8
71.10687	2.9
81.07050	3.8
85.02937	3.1
85.06490	7.6
86.81596	3.1
89.03913	7.7
93.07071	4.1
95.08620	4.4
99.08080	42.2
105.07030	6.2
107.08581	3.8
109.10137	8.6
117.03357	17.0
133.10075	14.2
135.04405	4.8
135.11673	6.7
145.02850	39.1
146.03207	12.0
147.03224	4.3
147.54274	3.0
149.05957	7.5
163.03929	20.5
175.14868	3.8
177.05455	100.0
178.05823	28.1
179.06033	10.8
191.10471	2.9
193.15884	42.1
339.10602	7.2
422.10901	6.1
584.27759	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	584.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.2
67.05499	6.4
69.07058	2.0
70.26306	2.3
70.26614	2.4
71.04983	4.0
73.06539	1.9
79.05490	10.7
81.07035	10.1
83.04976	13.1
85.06541	4.8
91.05467	36.8
93.07039	16.3
95.04964	21.3
95.08592	8.9
97.06506	5.4
101.06078	4.0
105.07020	49.1
107.04953	1.8
107.08582	6.3
109.06508	6.1
115.05431	8.6
115.66650	1.8
116.06213	3.5
117.07013	47.0
119.04919	3.5
119.08560	17.8
121.06489	6.0
121.10168	4.0
123.08051	2.6
128.06229	17.6
129.07001	30.2
130.07806	12.0
131.08551	34.9
133.06494	6.3
133.10133	18.0
135.08061	4.7
137.05971	2.3
137.09631	3.7
139.07512	2.5
141.06975	6.3
142.07780	10.9
143.08556	45.3
144.08943	2.3
145.06483	5.9
145.10110	71.9
147.08014	11.1
147.11702	6.0
149.09660	2.8
153.06949	3.2
155.08525	23.1
156.09319	5.2
157.10110	26.1
159.08041	4.1
159.11658	13.4
161.09587	12.3
161.13188	3.2
163.11186	2.0
165.07004	3.4
169.10127	3.3
170.10896	2.9
171.08029	5.7
171.11678	11.1
173.09601	100.0
173.13196	3.1
175.11176	11.6
175.14903	3.8
177.59973	2.2
180.09312	4.3
183.11661	3.3
185.13243	28.3
187.11179	5.2
189.12698	5.9
191.10626	12.2
195.11633	10.1
198.10376	3.5
201.12717	4.3
203.14285	22.0
213.12727	24.3
231.13776	65.9
249.14821	12.3
282.81433	1.8
291.15787	4.8
331.81857	1.8
332.17371	2.0
349.19925	2.3
367.21152	3.6
577.64923	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	27.1
57.03434	3.4
65.77001	1.8
67.05494	10.4
68.93924	1.8
69.03410	5.1
69.07050	2.7
70.55453	3.3
71.04982	3.2
73.06572	2.5
74.10568	1.7
76.76093	1.9
79.05492	9.8
79.05895	2.0
81.03413	2.6
81.07046	9.9
83.04975	80.4
85.02897	4.1
85.06524	1.9
91.05467	23.1
93.07033	22.0
95.04962	100.0
95.08601	10.1
97.06516	10.7
99.04494	3.1
100.72535	1.8
101.06030	15.7
103.05479	4.5
103.67080	1.9
105.01886	2.7
105.07017	40.9
107.08577	22.7
109.06499	14.1
109.10130	3.1
115.05453	2.1
117.07007	12.0
119.08561	33.8
121.06471	4.5
121.10118	7.5
123.08064	7.0
127.03885	2.9
128.06241	2.4
129.07008	6.2
130.07785	6.1
130.65872	1.8
131.08524	14.7
133.06480	45.1
133.10118	12.7
135.08032	11.4
135.11710	4.4
137.09610	7.2
142.07703	3.2
143.08560	8.7
145.10098	47.3
145.11217	2.9
145.21222	1.8
147.08034	10.0
147.11653	7.5
147.88652	1.9
149.06010	2.5
149.09584	9.4
151.07521	13.2
153.09016	2.6
155.08574	3.4
156.09319	2.6
157.10091	11.4
159.11644	5.8
161.09589	9.9
161.13208	4.8
163.11162	12.5
165.09105	7.7
171.11681	3.9
173.09641	15.3
175.11333	4.4
175.14807	3.5
179.10675	2.3
183.10132	27.7
185.13246	11.8
187.11221	2.4
189.12717	5.9
191.10649	27.1
195.11665	3.3
201.11253	9.1
201.12773	2.1
203.14290	12.8
205.12270	4.0
207.10118	2.9
208.09769	1.9
209.11707	5.1
213.12700	11.0
213.92311	2.0
217.12407	2.4
218.12758	2.0
231.13754	25.9
249.14839	8.3
301.20935	2.6
317.21228	2.0
319.21683	3.0
498.90182	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24363	3.9
55.05504	11.6
55.06109	3.7
57.07072	6.2
57.40564	3.5
67.05473	6.6
69.07079	5.0
79.05518	8.8
81.07057	11.5
83.04964	26.2
91.05482	12.3
92.60112	4.0
93.07039	13.1
95.04948	6.8
95.08602	11.5
105.07021	24.1
107.08583	17.1
109.10150	6.9
117.07029	17.7
119.08559	14.7
121.10143	11.5
131.08549	17.6
133.10085	5.5
135.11647	6.0
145.10110	67.3
152.21420	4.3
157.10097	7.2
159.11700	24.0
161.13263	12.1
173.13243	6.9
201.16360	100.0
203.99188	4.5
211.70218	4.5
219.17477	7.1
232.93495	4.4
584.38092	19.1
584.55664	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	584.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35175	3.1
51.22001	3.2
54.83242	3.5
55.05498	5.3
56.44294	3.3
57.07054	3.2
67.05499	5.4
69.07052	6.1
72.29879	3.4
79.05477	4.1
81.07035	11.0
82.87887	3.3
83.04965	16.8
85.06501	4.5
85.89590	3.4
91.05470	11.0
93.07037	13.4
95.08602	11.5
97.06528	3.8
105.06989	18.4
107.08593	10.3
109.10139	4.5
111.17735	3.6
117.07009	14.8
119.08576	16.4
121.10111	8.6
131.08537	11.6
133.10144	4.9
145.10114	64.4
149.06239	4.1
159.11676	28.6
161.13249	11.3
164.55278	4.4
168.55948	3.6
173.13237	7.2
175.14841	3.7
194.90303	3.7
201.16359	100.0
201.18117	7.1
219.17444	8.4
236.80403	4.1
240.69682	4.0
243.43115	4.2
311.45233	4.0
345.91287	4.3
584.37927	9.3
584.55957	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	586.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.5
56.25240	0.7
58.06843	0.8
58.99588	1.1
60.04524	1.5
69.78412	2.6
70.02947	19.1
71.06114	0.9
72.04514	1.0
74.02437	2.2
76.02225	2.5
76.04012	6.0
84.04498	2.5
88.03981	1.9
99.05576	5.1
109.07603	0.8
116.03434	2.6
117.06599	2.2
125.07139	1.9
127.05024	1.6
130.05002	0.9
144.01207	0.9
145.06068	100.0
163.03883	2.1
169.06174	2.8
179.04826	2.7
190.07709	1.1
199.07169	2.7
205.10139	3.8
218.07243	1.0
233.09653	6.5
261.09088	5.6
274.10321	8.4
279.10129	10.7
290.11679	1.4
294.27170	0.8
295.07883	1.0
308.09158	1.6
325.34177	0.8
347.78793	0.9
439.13321	4.2
568.17474	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03403	1.6
65.03912	1.7
69.32780	8.2
70.06615	1.3
75.04473	2.2
75.61791	1.4
78.04709	3.5
79.05511	2.6
81.07011	1.5
85.02901	7.8
86.09711	2.0
91.05479	12.5
93.03392	7.5
93.07052	4.7
94.60528	1.4
95.04975	4.8
95.09409	1.4
97.02850	1.6
97.06476	2.0
98.23479	2.5
99.81722	1.5
103.05460	8.3
105.04606	2.0
105.07018	6.0
106.03500	2.3
106.04165	20.9
107.04958	4.4
111.04444	1.6
121.06503	21.0
123.04369	3.0
124.05198	1.9
124.29831	1.4
125.05972	5.2
129.06998	5.0
131.04900	8.1
132.05338	1.9
133.02837	3.2
133.06488	5.8
134.03624	3.8
137.05954	16.0
138.72095	1.3
145.06494	3.1
148.05237	2.7
149.05960	35.3
151.07484	2.1
153.09056	8.2
157.06471	11.4
160.05244	2.0
161.05959	13.5
163.07562	5.8
164.07916	1.7
167.07022	36.2
174.06795	4.8
175.07539	4.2
177.05447	19.5
177.09044	1.6
179.07051	4.3
181.08601	17.1
187.07559	4.4
189.09090	17.6
191.06989	15.1
193.08598	14.1
205.08572	3.6
209.08067	100.0
210.08379	2.0
217.08592	23.3
218.07249	2.6
233.09627	1.8
235.09630	41.3
249.09148	2.0
250.09755	1.5
261.09100	3.7
278.09204	2.8
293.11639	2.3
309.11157	2.3
321.11246	6.0
341.13745	7.7
353.13770	9.9
359.14844	8.6
371.14850	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	586.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01855	1.5
61.02934	0.8
65.03924	2.7
68.11208	0.9
69.75966	1.4
75.04478	3.7
77.03911	1.3
78.04710	4.1
79.05469	2.7
84.00877	0.7
85.02888	3.6
89.03928	1.7
89.06038	1.0
91.05473	12.5
93.03395	9.0
93.07051	4.8
95.04952	5.9
97.06503	2.2
98.23342	1.1
103.05453	5.6
105.04494	1.1
105.07026	5.1
105.10282	0.7
106.04158	22.1
107.04942	0.9
109.06508	0.8
115.05405	0.8
118.04156	1.4
119.04930	2.2
121.06499	25.4
123.04423	0.8
125.05969	7.1
131.04909	2.1
133.02827	3.2
133.06502	4.2
134.03632	3.8
135.04390	1.8
137.05965	6.8
138.06726	1.4
139.07516	2.0
139.43327	0.8
145.02840	1.3
147.04362	2.0
148.05177	2.6
149.05963	40.8
151.07506	1.9
153.05438	1.5
153.09079	12.0
161.05960	7.8
163.03836	1.1
163.07526	4.2
165.05453	1.3
167.07010	1.2
177.05450	20.0
178.06039	0.7
179.07005	1.2
181.08585	18.5
191.07034	11.0
193.08586	7.8
209.08063	100.0
210.08409	1.8
341.13535	1.0
410.56540	0.9
586.15588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
57.51297	1.8
69.60890	7.3
69.61258	3.1
70.06590	3.4
76.66773	1.9
78.04682	2.8
79.05476	3.6
81.03401	2.4
84.08122	3.1
85.02904	7.9
86.09726	2.8
91.05467	21.0
93.03391	5.3
93.07071	2.7
95.04977	4.8
103.05460	43.0
105.03374	2.1
105.07048	11.6
106.04164	12.1
107.04966	6.1
109.06467	2.3
115.05460	2.6
119.04964	16.4
121.06496	13.6
123.04434	4.6
124.05197	2.1
126.01967	2.1
129.07028	4.2
131.04918	100.0
133.06482	12.5
134.03613	3.8
137.05966	19.8
143.05968	2.3
145.05034	2.8
145.06491	3.7
147.04395	4.3
149.05969	24.5
151.07532	8.5
153.09068	7.4
157.06482	4.4
159.08049	5.5
161.05959	42.7
162.06746	3.4
163.03941	6.0
163.07539	61.6
167.07028	42.0
173.06035	2.1
175.07484	9.8
177.05473	15.8
179.07066	10.0
181.08572	10.9
187.07521	21.3
189.09088	2.9
191.07043	8.9
193.08600	4.0
205.08609	23.2
209.08069	64.9
210.08902	2.7
217.08556	17.4
235.09665	14.1
277.08728	2.2
281.11655	3.3
309.11368	2.3
317.53833	2.1
321.11066	2.2
339.12292	3.3
341.13748	10.6
353.13794	6.2
359.14832	4.8
371.15036	9.9
385.59000	2.0
401.84491	2.1
467.74722	2.0
568.19611	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01863	1.9
55.05506	5.5
65.03918	2.0
67.05485	10.6
69.03417	3.2
69.07065	4.6
69.19408	9.5
71.04990	3.0
74.90523	1.5
79.05476	17.0
81.03394	2.4
81.07047	20.2
83.04979	7.8
85.06546	8.0
87.00793	1.6
91.05476	49.8
93.07032	21.2
95.04963	25.4
95.08605	13.0
97.06526	5.0
103.05481	5.1
105.07024	67.0
107.04952	6.5
107.08591	14.6
109.06538	8.7
109.10127	1.9
113.06005	2.0
115.05454	7.4
116.06224	3.3
117.07008	45.1
119.04946	2.4
119.08571	26.8
121.06512	12.3
121.10168	4.9
123.08038	4.1
127.03905	1.7
128.06209	16.0
129.06999	28.4
130.07794	9.4
131.04901	3.8
131.08560	43.3
133.06479	13.6
133.10101	23.8
135.08044	8.4
135.11679	2.7
137.09676	3.6
141.07001	5.4
142.07736	11.0
143.08549	47.8
144.09297	3.0
145.06497	7.5
145.10112	100.0
147.08054	15.0
147.11684	10.5
149.09621	12.3
155.08545	18.3
156.09325	5.5
157.10114	30.7
158.07234	2.2
159.08078	3.8
159.11716	12.4
161.09613	20.2
161.13249	5.3
163.03889	2.2
163.07516	2.9
163.11176	9.8
165.06985	3.4
165.09128	2.4
167.08553	2.6
168.09392	2.1
169.10173	6.5
170.10912	3.3
171.08087	5.1
171.11679	10.0
173.09608	90.0
173.13240	4.2
174.10022	2.8
175.11179	17.3
175.14830	10.1
180.09314	1.9
183.11705	2.8
185.13249	34.6
187.11220	6.2
189.12732	6.0
191.10652	37.0
195.11638	12.4
198.10362	3.1
201.12701	1.9
203.14308	28.4
213.12735	27.2
219.13995	2.0
231.13774	50.5
249.14787	9.6
277.10709	2.4
317.14044	2.7
335.14716	3.7
353.15897	6.6
586.29352	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	586.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.05505	8.5
57.07099	3.0
62.98432	2.8
65.03940	4.6
67.05498	15.9
69.07060	5.1
79.05489	19.7
81.03426	7.9
81.07042	19.7
83.04977	9.3
85.02896	6.4
85.06519	7.6
89.03915	9.3
90.04252	5.7
91.05474	52.7
93.07029	23.5
95.04971	33.6
95.08611	11.6
97.06505	7.4
99.04441	7.9
103.05481	3.9
105.07021	72.2
107.04944	10.1
107.08614	16.1
109.02926	3.2
109.06483	10.5
111.80943	3.1
115.05421	6.4
117.03374	10.1
117.06999	41.8
118.03717	5.2
119.04933	5.0
119.08567	29.9
121.06494	11.8
121.10134	6.6
123.08040	3.9
128.06206	20.6
128.40979	2.8
129.06987	27.8
130.07770	13.4
131.04890	9.1
131.08557	44.5
133.06482	16.6
133.10107	26.5
135.04378	14.7
135.08049	6.6
135.11671	3.5
136.04716	4.7
137.05989	4.1
141.07001	9.7
142.07748	14.1
143.08563	50.5
145.02849	13.2
145.06497	6.2
145.10109	100.0
146.03146	4.9
147.08058	14.5
147.11671	13.7
149.09633	10.0
153.06979	4.0
155.08557	20.0
156.09315	6.8
157.10104	30.2
159.08078	4.8
159.11688	11.7
161.09619	23.1
161.13239	6.8
163.03886	61.1
163.05145	5.4
163.11176	7.8
164.04242	27.5
165.04456	10.7
169.10109	6.6
170.10872	5.5
171.07996	6.9
171.11690	12.7
173.09608	75.7
175.11218	14.2
175.14812	6.3
177.05472	4.0
180.09352	7.4
181.04916	9.0
185.13234	35.2
187.11230	5.0
189.12778	6.6
191.10681	29.2
195.11722	12.4
198.20319	3.3
198.80786	3.2
201.12703	4.6
203.14304	32.5
208.06091	3.5
213.12727	33.2
214.07405	2.9
231.13812	63.8
234.25848	3.1
249.14835	8.8
258.07455	4.4
259.51724	2.8
277.10532	3.6
288.08173	3.3
328.50885	3.4
333.08212	4.6
334.08536	7.1
335.14990	6.8
353.15887	5.0
422.10406	7.8
423.11215	9.8
424.11484	19.9
512.82837	3.4
587.21118	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
65.03928	4.3
65.43134	0.7
67.05482	1.8
74.42138	0.8
79.05502	1.0
81.03408	4.6
82.04198	1.2
85.02885	3.4
91.05460	2.4
93.03380	0.8
93.07024	1.1
93.78613	0.6
95.04961	3.2
95.08598	2.5
97.02926	0.7
97.06508	3.2
105.07018	5.4
107.08559	0.8
109.02872	1.6
110.03620	1.3
111.04437	1.0
115.05429	1.0
117.07012	0.7
119.08569	1.5
121.10120	1.3
123.04440	1.3
125.05979	1.5
129.07108	0.8
131.08563	4.9
133.10115	73.1
134.10439	1.5
138.03139	1.2
140.04655	6.7
143.08548	1.4
145.10011	1.1
153.05469	4.1
155.07002	3.5
158.10876	2.3
171.06482	4.3
173.13246	15.8
174.13602	0.7
181.04939	100.0
182.05330	1.9
191.14290	10.0
199.06029	5.6
314.09061	0.7
325.09186	3.8
343.10165	4.6
348.20920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84798	1.6
55.01860	2.0
55.05508	7.1
57.03431	2.0
57.07063	3.1
58.06569	2.1
61.26661	1.8
64.84736	1.6
65.03940	3.6
67.05495	8.4
67.34264	2.0
69.03418	4.6
69.07047	2.4
70.06590	3.3
70.79913	1.9
71.04980	3.1
71.42838	2.4
79.05487	5.9
81.03413	1.8
81.07065	9.1
82.93914	1.7
83.04973	18.7
85.06538	2.0
88.07641	4.3
91.05461	24.6
93.07037	21.0
95.04958	100.0
95.08598	6.9
96.05293	2.5
97.02892	4.1
97.06494	4.0
102.09151	3.4
105.07020	44.0
107.08568	17.1
109.06500	14.1
109.10169	2.7
111.08067	2.6
115.05469	3.5
116.06209	2.2
117.07008	15.7
117.71042	1.7
119.08561	28.0
121.06503	5.9
121.10124	11.0
123.08096	4.0
128.06218	6.9
129.07002	8.9
130.07764	7.7
131.08548	28.7
133.06488	19.0
133.10109	17.2
135.08046	10.0
135.11668	3.2
137.09604	4.1
142.07762	4.2
143.07069	4.4
143.08539	15.6
145.10110	89.6
146.10550	2.1
147.08028	9.3
147.11696	8.3
149.02365	6.9
149.09586	9.4
151.07581	4.7
153.09059	3.3
155.08548	5.6
156.09357	5.4
157.10040	14.5
158.07198	3.1
159.08047	2.6
159.11682	8.2
161.09612	7.7
161.13243	8.4
163.11186	14.0
168.54697	1.8
169.10132	2.0
170.10965	3.5
171.11642	8.3
173.09622	35.7
175.11212	3.5
175.14793	12.6
183.10049	1.9
185.13275	15.6
189.12723	9.5
191.10645	36.6
193.04997	7.4
195.11562	4.1
203.14272	39.0
207.10146	2.4
209.11801	1.8
213.12753	17.9
228.23174	5.6
231.13762	50.7
249.14787	13.8
341.06647	2.4
347.97070	2.0
385.09149	7.1
390.51157	1.9
586.30292	12.9
611.10089	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83815	6.2
63.26213	5.8
71.04987	9.3
75.85374	7.3
79.05505	14.2
81.07048	13.3
83.04975	14.2
84.85305	6.5
90.59365	6.5
91.05467	41.2
93.07021	17.2
95.04947	19.4
95.08628	7.4
97.06519	7.2
100.49033	6.9
105.07019	66.3
106.05192	6.4
115.05467	8.2
117.07021	66.4
117.28270	7.6
119.04962	8.8
119.08579	14.1
128.06192	24.3
129.06958	41.7
130.07808	16.6
131.08565	54.4
133.10120	22.2
141.06990	7.5
142.07776	16.1
143.08537	46.0
145.10114	77.5
147.07980	9.0
149.09610	7.2
155.08565	26.2
157.10152	29.0
159.11699	13.8
161.09598	18.4
171.11691	17.1
173.09598	100.0
175.11133	7.0
185.13222	36.8
191.10637	14.6
203.14304	11.7
213.12762	30.2
230.71140	7.0
231.13747	60.7
328.96100	7.1
472.31937	7.4
559.74664	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	586.322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32560	1.6
53.03946	9.7
53.04160	1.6
55.01868	8.4
55.05508	16.6
57.03430	5.0
57.07069	1.9
61.02915	4.4
62.75743	1.4
62.94843	1.6
66.05106	1.6
67.05504	12.0
68.99777	1.8
69.03423	24.0
69.07069	7.6
70.02947	2.8
71.04984	5.1
73.02914	5.6
73.19827	1.5
79.05488	10.5
79.90025	1.5
81.03412	24.4
81.07053	34.1
83.04979	4.1
83.08634	4.0
84.04512	3.6
85.02900	53.1
85.04036	2.1
87.00823	20.9
91.05460	12.2
93.07033	22.2
93.07537	2.5
95.04969	4.9
95.08598	42.6
97.02894	22.1
97.06542	6.0
97.10182	1.8
99.04452	9.3
99.08099	8.5
103.05415	1.9
105.01875	15.5
105.07021	30.4
107.08591	22.5
109.02872	21.8
109.06488	2.2
109.10159	20.2
111.08074	1.5
116.06158	1.7
117.01849	3.9
117.07008	7.6
119.08576	30.2
121.10110	14.8
123.11694	10.0
124.32348	1.5
125.09609	2.1
127.03906	35.6
128.06233	3.8
129.01878	3.8
129.06970	9.0
130.05017	1.9
130.07759	2.5
131.04564	2.2
131.08565	19.8
133.10098	34.3
134.10464	1.7
135.11697	9.2
141.06973	4.4
142.07805	4.1
143.08572	23.6
144.09268	2.1
145.04953	15.4
145.06107	7.5
145.10110	63.5
146.48006	1.7
147.02893	3.2
147.11679	17.4
149.13289	6.0
155.08513	12.1
156.09328	3.9
157.10107	20.5
158.10887	3.1
159.02885	15.9
159.11685	32.8
161.09673	1.7
161.13271	13.5
163.11060	2.1
163.14822	3.8
167.08607	3.0
168.09302	2.3
169.10120	19.8
170.10851	2.4
171.11679	19.9
173.13243	19.8
174.91786	1.6
175.14825	11.1
177.03334	4.6
177.12773	2.8
177.16434	2.6
181.10094	3.9
182.10872	5.0
183.11652	18.2
184.12344	2.0
185.13232	18.9
187.11201	2.0
187.14790	34.7
187.16333	2.8
189.12694	2.1
189.16359	5.8
191.14348	4.9
193.10159	2.3
195.11813	1.7
196.12457	3.5
197.13234	19.0
199.14807	22.9
200.15486	2.8
201.16348	24.2
203.08589	1.8
203.14296	3.8
203.17963	5.1
208.12425	2.1
209.09543	2.0
209.13185	3.3
210.13954	2.8
211.14783	17.8
213.03859	2.3
213.16380	7.3
215.14267	2.5
215.18040	2.6
217.15852	9.5
219.11714	2.8
221.18993	11.4
223.14767	4.3
224.08160	2.5
225.16310	13.1
227.17873	3.6
229.15886	7.1
231.04945	6.4
233.13260	3.4
237.09071	2.5
239.17853	2.8
241.19516	6.1
243.17377	4.2
246.10315	2.2
249.09007	3.6
250.09981	3.5
251.14314	4.4
253.19606	1.8
255.21075	10.8
255.23370	1.5
257.22617	10.7
261.12799	1.9
264.11337	9.7
265.12189	5.1
265.19504	3.6
267.18155	2.8
267.21054	54.6
268.21304	2.3
269.22620	5.4
273.22058	4.7
278.13043	2.1
279.13779	100.0
280.14175	10.8
283.20416	4.4
285.22098	71.9
286.22574	2.2
297.22040	4.8
303.23172	33.6
311.10922	8.8
337.12454	4.3
365.11798	3.4
515.26294	2.7
533.27368	6.5
586.21228	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	9.5
68.11677	7.3
69.23647	35.4
71.24883	7.6
79.05507	19.8
81.07031	13.0
83.04993	10.2
91.05479	40.9
93.07049	27.1
93.96394	8.4
95.04967	88.2
105.07050	56.4
107.08588	10.9
109.06512	15.2
115.05461	12.8
117.06998	40.8
119.04925	13.1
119.08601	30.9
121.06498	16.2
128.06226	46.3
129.07008	95.8
131.04935	18.9
131.08594	42.1
133.06494	30.7
133.10123	9.4
135.08047	12.0
135.93321	7.6
141.07002	20.3
142.07813	9.0
143.08540	81.2
145.06473	22.4
145.10153	22.6
147.08067	32.6
149.02399	7.1
153.06958	8.7
154.07671	10.7
155.08574	20.7
157.10158	32.2
159.08147	13.8
159.11685	29.5
161.09656	33.5
167.08585	8.9
169.10147	29.1
171.08035	58.1
172.08893	9.5
173.09647	20.0
175.11145	8.5
183.11720	26.6
187.11194	26.8
189.09134	36.7
193.04909	10.6
194.21332	8.3
201.12730	28.4
211.11214	22.2
228.23253	13.5
229.12273	76.8
247.13333	40.6
479.28467	10.6
497.29514	13.3
515.30286	31.1
527.30377	11.2
531.29932	16.1
533.31378	29.6
586.30182	12.6
587.32538	100.0
605.33569	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59044	2.1
54.05982	2.0
55.05507	6.9
57.07074	3.9
59.10707	2.3
67.05498	5.2
70.06567	2.5
71.04982	5.7
78.71074	2.0
79.05477	9.1
79.28815	2.2
79.85537	2.2
81.07045	9.8
83.04987	11.2
85.06539	6.6
88.07638	4.2
91.05476	36.8
91.73270	2.4
93.07029	17.5
95.04964	17.2
95.08590	5.5
97.06549	3.1
98.97558	4.0
101.05998	4.3
102.09125	3.0
105.07025	48.6
106.60150	2.1
107.04947	3.0
107.08578	6.2
109.06524	6.4
115.05446	6.8
116.98621	2.3
117.07018	48.4
118.52831	2.0
119.04971	3.2
119.08583	14.5
121.06532	3.9
121.10119	3.5
123.08086	3.4
128.06230	11.4
129.06985	30.2
130.07755	7.9
131.08553	38.8
133.06445	3.6
133.10121	17.1
134.99585	2.8
135.08051	6.7
137.09676	3.0
141.06976	5.0
142.07756	10.1
143.08540	41.3
145.06526	6.0
145.10114	63.7
147.08038	9.6
147.11693	6.3
147.34079	2.5
149.02348	7.9
149.09631	3.4
153.07043	3.6
155.06085	2.9
155.08537	18.6
156.09363	4.9
157.10100	27.8
159.08066	3.5
159.11694	9.7
161.09624	10.5
161.13228	4.9
165.06915	3.4
168.09138	2.2
169.10089	6.3
171.08052	3.3
171.11708	13.4
173.09605	100.0
174.09961	2.5
175.11191	11.6
175.14758	3.2
180.09346	4.3
185.13249	31.5
187.11165	4.1
189.12711	3.8
191.10690	9.9
193.04977	9.0
195.11711	9.9
201.12729	3.4
203.14305	21.1
213.12724	28.3
219.13760	2.5
228.23164	9.4
231.13779	52.4
249.14786	9.6
273.14941	2.8
295.44598	2.7
323.55148	2.4
371.18350	4.3
385.09146	10.0
527.29944	2.5
553.87103	2.7
586.30151	22.6
587.31830	5.5
604.32465	5.3
605.33575	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	586.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68601	4.2
55.05507	20.2
59.04262	5.4
64.48180	4.7
69.30407	24.3
79.05486	6.2
81.06139	4.5
81.07035	10.6
83.04969	48.1
91.05480	19.4
93.07040	11.4
95.08604	9.0
96.35723	6.0
98.16443	5.3
98.23536	4.7
99.04440	8.8
101.05988	7.8
105.07050	29.5
107.08602	14.1
117.07015	12.5
119.08579	20.8
121.10101	4.9
129.06934	6.0
131.08537	25.6
133.10130	22.4
135.08231	4.8
135.11688	6.1
142.07790	8.9
143.07010	8.8
143.08560	19.8
145.10123	24.8
147.11694	15.2
149.05989	5.7
157.10132	20.7
159.11693	34.7
161.09639	15.0
171.11630	8.3
183.10190	6.7
187.14767	7.8
189.16386	20.0
199.14799	33.2
217.15852	100.0
217.17790	9.1
235.16960	5.7
297.07623	5.6
341.10300	13.7
455.63446	5.8
586.34381	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	586.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	3.1
55.05511	23.2
59.05024	2.2
61.71872	2.0
66.41218	2.0
67.05511	6.5
69.07054	6.9
69.54232	2.2
69.80959	8.5
71.04987	4.9
73.06561	2.9
79.05489	8.3
81.07047	10.9
83.04971	57.7
85.06529	2.7
91.05473	22.5
93.07023	15.6
95.04985	5.3
95.08597	13.5
98.22718	2.6
99.04441	18.6
101.06039	7.1
105.07015	46.6
107.08572	10.8
109.06538	2.9
109.10172	5.9
117.06993	16.8
119.08575	28.0
121.06517	3.4
121.10146	6.0
128.06226	7.3
129.07028	9.3
130.07768	4.3
131.08549	30.7
133.10118	33.9
135.11681	5.8
140.70644	2.3
142.07779	12.2
143.06973	4.4
143.07475	2.9
143.08557	24.4
144.09265	3.3
145.10121	42.9
147.08072	3.3
147.11658	16.2
149.09601	2.7
157.10109	32.1
159.11711	24.8
161.09628	16.8
161.13319	3.1
173.13229	11.5
175.11174	7.1
175.14851	4.4
177.12727	3.6
183.10179	5.8
185.13120	2.1
187.14822	4.5
189.16393	29.3
199.14812	34.3
217.15857	100.0
218.16200	2.6
234.94469	2.4
235.16884	4.8
273.26630	2.2
291.19946	2.4
538.20099	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.9
57.07074	38.9
61.26254	0.7
69.07084	1.8
69.24001	2.5
69.24399	1.5
71.08627	25.2
73.06553	7.7
79.05502	0.8
83.08614	2.1
85.09696	1.3
85.10181	20.2
87.04470	6.4
89.06026	100.0
95.08588	1.1
97.10157	3.5
99.11709	3.9
107.07063	2.5
113.13280	2.0
117.09129	6.2
130.08612	1.0
131.07051	2.4
133.08597	52.4
135.10188	1.1
137.81384	0.8
152.70824	0.8
155.17944	5.4
161.11742	1.4
169.31352	0.6
169.98759	0.7
175.09680	1.5
177.11206	21.3
199.20578	4.0
221.13852	2.8
223.27313	0.8
239.14932	1.6
243.23203	8.6
265.16467	0.9
283.17700	1.3
287.25775	4.5
415.25320	3.7
525.39972	0.8
569.42664	6.2
586.44702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49818	1.6
83.70587	0.8
94.21201	0.7
94.99844	1.6
97.02895	1.3
101.00896	3.1
107.63061	0.8
108.79288	0.9
113.00912	2.3
119.01910	8.4
120.96638	0.8
123.23980	0.8
130.98683	0.7
131.01897	8.3
133.03505	1.7
137.02936	1.1
143.00101	0.8
143.01891	14.0
145.03491	3.1
149.02933	1.7
155.01877	77.0
156.02031	1.2
157.03510	2.5
161.02943	10.2
161.04105	1.2
167.01918	2.1
169.03513	1.5
171.04962	1.0
173.02946	100.0
174.03122	2.5
175.04514	1.0
181.27277	1.0
181.33575	0.9
185.02950	21.0
187.04483	1.9
197.02956	5.2
199.04532	0.9
203.04015	6.4
209.02960	2.1
215.04015	3.5
227.03990	3.5
239.04012	3.3
245.05045	84.3
246.05182	3.7
257.04980	8.6
263.06149	1.1
269.05099	3.0
275.06073	3.6
287.06134	3.1
299.05917	1.9
305.07147	76.8
306.07364	3.1
317.07077	1.9
323.08316	3.6
329.07205	3.8
335.08221	1.5
347.08209	12.8
365.09305	2.5
386.76389	1.0
407.10300	49.4
408.10550	2.4
437.11697	3.9
467.12286	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60914	0.6
55.01857	2.6
60.47171	0.7
62.09887	0.7
79.05484	7.6
82.49498	0.7
84.87136	0.9
90.04699	1.1
91.05471	2.0
92.26308	0.7
93.07037	0.8
95.04957	2.5
103.05456	14.5
105.04525	1.3
105.07022	68.0
106.07317	1.1
107.04980	1.7
115.05453	15.8
116.05746	0.9
117.03307	0.8
118.04147	7.4
121.06492	1.9
131.04939	7.8
133.06479	62.5
134.06848	0.9
143.04973	1.4
143.06015	6.6
145.50992	0.7
148.05154	4.3
149.05966	2.7
159.04468	1.3
161.05965	100.0
162.06311	1.9
163.07498	6.5
176.04613	2.6
177.05524	5.4
184.04945	6.0
185.05768	1.9
185.24675	0.8
191.07022	25.3
192.07375	0.8
193.08585	56.7
194.08992	0.7
209.08066	8.0
215.06764	21.2
216.07130	1.0
258.19116	0.7
291.08368	2.6
301.10742	0.9
312.42917	0.8
314.37317	0.7
352.12677	0.8
381.13232	0.8
442.47845	0.8
483.16214	35.3
484.16531	1.4
543.18750	1.5
587.21417	4.1
587.29431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40774	3.5
81.07067	1.1
91.72109	0.6
91.93018	0.8
96.90164	0.7
118.74268	0.6
163.03903	1.3
177.05492	1.1
183.62834	0.6
241.44669	0.7
321.24368	1.0
411.16611	0.8
587.20972	100.0
587.30109	7.5
588.20636	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	587.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88926	0.4
56.96555	2.1
57.07067	0.6
63.48338	0.5
67.05495	0.8
72.41291	0.6
79.05504	1.0
81.07052	1.6
85.06538	0.7
91.05467	2.6
93.07045	1.1
95.04948	1.5
95.08595	1.4
97.12914	0.6
98.97565	3.5
101.06012	1.1
105.07014	3.3
106.07323	0.6
107.08611	1.8
116.98605	2.7
117.07024	2.2
118.07299	0.5
119.08577	1.6
121.10178	1.6
123.11726	0.8
127.00026	1.1
128.06215	1.2
129.07022	1.2
131.08554	2.0
132.08862	0.7
133.10123	1.6
134.99628	1.6
142.07722	0.9
143.08524	2.6
145.10095	4.0
146.10452	1.2
149.02286	0.7
155.08504	1.1
157.10139	2.0
159.11673	0.8
161.09654	1.2
163.03790	0.6
169.01054	0.7
169.04747	2.4
171.11711	1.1
173.09607	3.5
174.09970	1.3
175.11192	0.8
185.13289	1.6
191.10733	0.7
193.05011	1.0
201.16438	0.8
203.14291	1.4
213.12784	1.2
214.13019	0.5
227.05290	1.1
228.23196	0.7
231.13792	3.4
232.14212	1.8
271.04297	1.8
276.30240	0.5
327.14798	0.9
339.19254	1.1
347.44595	0.5
479.28247	1.2
497.29364	0.9
501.24414	2.0
509.29660	0.6
525.24347	0.7
527.30267	2.2
536.20844	0.6
543.25586	18.7
543.33917	1.0
544.25977	1.2
545.31366	1.9
551.61328	0.6
561.34583	1.3
563.32098	1.1
587.24506	100.0
587.32263	4.6
588.24884	6.1
605.33545	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	587.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20744	0.6
66.48039	0.5
69.09924	1.7
69.10326	2.0
70.72374	0.5
81.03422	0.5
105.07054	0.7
128.56989	0.7
158.07123	0.6
173.09668	0.6
204.03381	0.6
231.79936	0.6
232.79214	0.6
339.25064	1.7
379.09906	1.6
501.30246	2.8
515.19543	0.6
543.23779	0.9
543.31415	15.4
544.31964	0.8
587.23492	100.0
588.23975	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	587.2458
Annotation	Baccatin III
Peak:m/z	Relative Intensity
51.03269	0.1
70.78196	0.2
92.72375	0.1
106.62666	0.1
133.10176	0.1
144.47850	0.2
155.38277	0.1
231.13493	0.2
249.14511	0.4
286.00964	0.1
363.07050	0.2
365.08267	0.2
379.10025	1.3
569.25037	0.3
572.21924	0.2
587.24524	100.0
588.24896	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	587.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82079	0.4
67.41201	0.4
70.35372	1.3
120.01050	0.5
163.03911	0.8
231.87624	0.4
262.18155	0.5
317.06461	0.5
379.09818	0.8
438.94940	0.5
543.31763	0.6
565.92529	0.5
587.24487	100.0
588.24786	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	587.246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30277	0.5
55.92754	0.6
59.97052	0.5
62.97733	0.5
75.81873	0.7
77.51275	0.7
78.58912	0.5
93.07018	0.5
133.29689	0.5
140.73810	0.6
142.38057	0.6
150.18896	0.7
184.97646	0.6
217.14525	0.6
501.24561	16.3
502.24857	0.7
515.26355	1.1
525.24689	1.8
543.25580	50.2
544.26031	3.1
587.24548	100.0
588.24744	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	587.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07735	0.8
68.53510	0.9
69.12440	2.3
69.12865	3.6
79.36328	0.8
81.07056	0.9
85.02888	1.0
91.63351	0.7
93.07043	1.3
93.45099	0.8
105.07010	1.1
105.64796	0.7
109.30813	0.8
133.10297	0.8
148.46620	0.9
163.03931	1.3
176.50237	0.8
192.07822	2.7
193.08102	1.6
246.54228	0.7
330.77097	0.9
339.25034	5.6
379.09872	2.5
483.29266	1.1
501.30203	11.1
502.29956	0.9
543.31390	40.3
544.31494	1.4
587.24158	100.0
587.30853	70.1
588.23151	8.1
588.31616	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	587.3037
Annotation	Gln His Phe Arg
Peak:m/z	Relative Intensity
50.01658	0.4
59.25333	0.4
59.78920	0.5
63.40851	0.4
79.09503	0.4
88.60825	0.4
121.06541	0.5
121.52887	0.5
137.60509	0.5
145.02849	0.5
147.71007	0.5
163.03934	1.8
199.86737	0.5
278.07593	0.5
282.49905	0.4
351.21408	1.5
425.25107	1.1
459.18845	0.6
516.05981	0.5
576.92603	0.5
587.30353	100.0
588.30487	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	588.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01405	1.0
56.05026	1.9
58.72010	0.8
58.99571	3.9
60.04514	2.1
64.19450	0.9
68.21284	0.8
69.38967	3.9
70.02573	1.1
70.02952	21.0
71.06095	1.2
74.02429	5.0
76.01811	1.4
76.02224	19.7
76.04000	9.9
82.67325	0.8
84.04494	7.2
85.04008	1.8
88.03994	2.0
92.01669	0.8
95.08566	1.0
99.05566	8.4
100.03994	1.0
109.07637	1.4
113.03483	1.1
116.01656	5.3
116.03441	4.2
117.06632	1.7
125.07105	1.8
127.05021	2.1
130.04979	6.8
142.03247	2.7
144.01126	3.2
145.06073	100.0
146.06364	1.2
155.08168	3.0
160.55803	1.0
162.02180	9.8
169.06068	3.6
170.02696	1.5
177.03316	4.1
179.04848	25.3
187.05342	1.1
193.10104	3.9
199.07205	2.2
211.11316	1.1
211.14777	1.5
213.08681	1.6
215.04854	1.3
220.12367	1.0
221.09584	6.5
223.11113	1.9
231.04352	1.8
233.05910	8.3
235.14758	1.6
238.09836	3.0
238.13522	2.2
239.10632	1.1
245.05876	1.7
253.15909	4.6
263.14392	1.4
265.12296	1.4
266.12970	5.0
268.16800	1.4
270.18509	6.5
274.10251	7.3
278.75891	1.0
280.14520	1.8
281.15329	43.8
282.15948	2.8
295.11212	1.2
298.18011	3.1
308.05566	1.7
308.09064	28.2
313.12515	4.1
313.31125	1.1
328.17276	3.1
375.14722	1.6
376.15198	3.0
393.16031	1.3
394.16098	1.6
431.20050	1.9
459.19437	21.1
502.18304	3.7
513.20740	1.3
526.17975	2.2
544.19440	2.5
545.19745	1.4
570.22742	4.7
588.18335	26.2
589.19165	3.9
600.35278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05510	27.3
55.08527	0.9
59.03532	0.8
69.03417	2.3
70.26170	1.6
74.75505	0.8
81.03410	3.2
83.04977	100.0
85.02887	5.5
97.02900	4.5
99.04439	1.6
101.06011	15.9
105.07064	1.1
107.08591	1.2
109.02863	3.0
121.72720	0.9
127.03913	4.5
129.54321	0.8
149.09671	1.1
163.11002	1.0
183.10164	16.3
201.11215	2.1
205.99608	0.8
227.09103	13.8
227.12721	1.9
245.10204	28.1
345.15335	1.6
386.66129	0.8
387.71448	1.1
588.28394	1.2
590.98511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.0
67.05503	11.3
69.07088	4.4
71.04974	4.7
79.05479	17.9
81.07066	23.3
83.04980	5.4
85.06559	11.6
91.05479	46.1
93.07031	18.6
95.04971	28.0
95.08611	11.1
97.06549	8.5
98.19006	3.3
101.06007	12.1
105.07029	70.2
107.04925	5.8
107.08605	22.5
109.06529	8.3
109.10193	3.5
115.05454	8.0
117.07015	48.7
119.08578	27.9
121.06558	8.3
121.10146	4.4
123.08097	4.5
128.06242	14.8
129.06995	26.4
130.07782	10.2
131.08563	40.0
133.06506	14.0
133.10107	22.4
135.04352	3.7
141.06984	7.6
142.07790	9.8
143.08569	52.4
145.06516	7.9
145.10123	100.0
147.08073	14.1
147.11705	10.8
149.09598	8.3
154.07756	3.7
155.08539	22.1
156.09381	10.9
157.10143	33.4
159.08110	4.6
159.11702	10.8
161.09612	23.3
161.13281	5.9
163.03987	4.9
163.11197	7.4
165.06993	3.8
169.10075	4.2
170.10989	4.8
171.08104	8.8
171.11708	14.8
173.09625	80.5
175.11215	9.3
175.14948	4.4
180.09351	8.3
185.13246	43.3
187.11246	9.0
189.12761	8.0
191.10712	20.9
195.11652	23.0
201.12753	8.3
203.14296	35.1
209.05136	3.7
213.12737	49.2
219.85918	3.7
231.13795	89.6
249.14806	17.6
353.15768	5.6
588.31219	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	588.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.6
52.69510	1.7
53.03939	4.3
54.48324	1.5
55.01851	1.6
55.05503	8.7
64.72650	2.6
67.05496	6.7
68.72369	1.5
69.03423	1.6
69.07068	2.0
69.23103	1.5
69.28744	11.5
71.04996	3.5
77.03925	3.5
79.05496	11.9
81.07043	7.8
82.44059	1.7
83.04982	11.7
85.06530	3.8
91.05479	43.5
91.06057	2.5
93.07031	11.5
95.04960	30.6
95.08591	4.3
97.06519	3.7
98.23512	3.5
100.58518	2.1
105.03386	93.6
105.04425	9.3
105.07023	52.4
107.04910	2.7
107.08585	8.6
109.06527	7.4
115.05434	11.1
116.06241	3.6
117.07011	53.9
119.04947	4.3
119.08566	15.5
121.06459	4.2
123.08036	3.0
128.06215	19.3
129.06992	39.2
130.07755	7.8
131.08557	49.2
133.06487	6.5
133.10130	15.9
135.08067	2.9
141.06961	6.1
142.07805	10.8
142.08716	1.8
143.08554	50.2
144.09279	2.9
145.06468	5.4
145.10114	59.8
147.08032	6.4
147.11728	3.9
149.09639	4.8
153.06978	5.3
154.07805	4.6
155.08546	25.1
156.09319	8.5
157.10094	18.7
158.07259	4.4
159.08012	3.7
159.11662	12.9
161.09624	12.7
161.13272	3.7
165.06952	4.0
169.10146	5.7
170.10851	3.1
171.08026	4.7
171.11679	15.9
173.09610	100.0
175.11191	10.4
179.91750	1.8
180.09302	4.6
183.11618	3.6
184.07330	3.1
185.13245	23.6
187.11180	6.4
189.12711	6.2
191.10709	6.8
195.11693	10.3
198.10432	2.7
201.12947	3.4
203.14317	11.0
213.12720	29.6
215.66696	2.1
231.13782	54.3
232.14130	2.5
239.06816	2.3
249.14894	6.5
295.13370	8.4
339.11951	2.7
353.17493	1.8
369.50412	1.7
371.18228	1.9
387.15527	7.5
388.16064	12.6
588.26184	6.0
589.27020	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	588.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
56.05024	1.0
56.96560	1.0
58.06611	0.6
60.08161	6.6
69.05783	0.8
69.06192	1.6
71.07369	3.2
71.14663	0.3
73.95662	0.3
79.05503	0.3
86.09699	30.8
98.97561	0.7
98.98452	3.1
101.38208	0.3
104.10744	3.4
116.98588	0.7
124.99993	23.9
134.99600	0.3
168.47263	0.3
184.07324	100.0
185.07585	0.4
355.27100	0.3
407.30072	0.3
498.30148	0.4
514.28796	0.4
516.30682	1.1
528.30396	0.5
532.30023	0.8
534.31494	1.8
546.31287	0.8
554.86328	0.3
570.35242	1.4
588.32434	6.2
606.34088	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	589.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
51.74281	0.4
53.03938	5.3
53.76355	0.4
55.01868	5.0
57.03431	2.8
58.49201	0.4
61.02919	3.2
65.03923	0.7
66.04700	0.7
68.99787	3.5
69.03419	18.9
71.04975	3.1
71.42059	0.4
73.02913	4.1
77.03935	0.5
79.05486	1.3
81.03410	20.3
81.07039	1.4
83.01327	0.6
85.02897	32.0
87.00821	14.6
87.01221	0.2
87.04424	0.4
91.03954	1.1
91.05465	4.7
94.04169	3.4
95.04952	1.0
97.02882	11.3
98.23498	0.4
99.04446	7.6
103.03921	1.1
103.05476	2.5
105.01858	8.0
105.03368	0.5
105.07030	1.4
107.04933	1.4
109.02866	16.9
109.06490	3.0
111.04465	0.6
115.03915	0.8
115.05460	2.5
117.01855	3.0
117.06989	1.0
119.04929	1.7
119.08561	1.3
122.03643	8.0
123.00742	0.4
125.05988	0.6
127.03899	24.5
128.06186	1.8
129.01843	2.4
129.07031	3.2
131.04893	3.6
131.97034	0.4
132.05673	1.1
133.02812	1.4
133.06491	1.3
137.05960	100.0
138.06287	1.4
141.06975	1.5
143.04906	1.2
143.08543	0.6
144.05688	1.5
145.04947	7.0
145.06522	0.9
146.03593	0.6
147.02885	1.6
147.04439	0.8
147.08031	1.9
149.05956	2.1
151.03908	1.2
151.07498	7.0
153.05582	0.5
156.05606	0.5
157.06467	2.1
158.07265	0.7
159.02870	10.5
159.08032	0.8
160.05128	2.5
161.05965	4.9
163.07536	5.7
165.05479	1.0
165.06921	0.5
167.06972	0.5
168.05695	0.5
169.06465	1.5
171.08015	1.2
172.05206	2.1
173.05956	0.6
174.06725	3.2
175.07524	23.9
176.07884	0.7
177.05453	2.5
177.09077	1.4
179.07027	1.6
179.08440	0.4
184.05197	1.3
186.06728	0.9
187.07529	15.6
188.07983	0.5
189.03911	0.6
189.07150	0.8
189.09082	4.8
190.07776	1.1
191.07004	0.6
191.08525	1.9
196.05194	0.5
197.05896	0.6
199.07515	7.2
201.09087	7.1
202.07791	3.4
203.06805	0.7
203.08543	7.3
204.09210	0.6
205.06509	1.2
205.08517	0.9
205.10239	0.9
207.08043	0.7
208.08807	0.6
211.07501	4.2
213.05496	0.6
215.06870	0.6
215.08731	0.6
217.08569	4.9
218.07280	0.7
219.08000	4.5
220.08789	2.9
221.05894	0.5
221.09596	0.9
225.05522	1.0
225.08946	1.0
227.06927	1.0
228.07782	1.1
229.08548	0.5
230.07050	0.5
231.04950	2.6
231.08044	8.9
232.08784	2.2
233.05913	1.1
233.09532	1.6
234.06749	0.7
235.07538	0.9
235.11220	0.5
236.08363	1.0
237.09073	1.8
239.07040	2.5
240.07745	3.0
241.04948	0.7
241.08444	0.8
244.08707	0.4
245.09776	0.7
246.06723	0.5
247.07463	3.4
248.05888	0.6
248.08295	8.0
249.08990	1.7
250.06200	0.5
250.09862	0.7
251.10571	2.3
253.08629	0.9
255.06483	1.1
256.07220	2.0
258.06650	0.6
259.07498	4.0
260.08282	1.9
261.09094	2.4
262.09869	1.0
263.06909	0.9
263.10623	6.8
264.07739	1.8
265.08514	2.2
265.12097	0.6
268.07147	0.5
269.08005	0.4
270.08771	2.5
271.09637	15.1
275.07077	0.7
275.10480	0.4
276.07803	5.1
277.08551	5.1
278.09183	0.9
279.10056	4.4
280.10724	1.2
281.08075	1.3
281.11493	0.8
283.09732	1.8
289.08517	0.5
290.09360	0.6
291.10107	18.1
292.07861	0.5
292.10788	3.0
293.08041	3.0
293.11658	2.1
294.08392	0.6
295.09592	1.7
295.12888	0.6
296.10458	2.2
297.11215	1.2
300.88080	0.4
303.10156	0.6
305.11371	0.8
307.09619	1.3
308.10352	4.0
309.11160	2.2
311.12738	7.5
313.14365	0.7
315.10138	1.3
321.11111	1.7
323.12729	24.2
324.13055	1.2
325.10391	0.5
325.14294	10.4
333.11008	0.9
335.12683	1.1
337.14227	0.9
339.12186	0.9
341.13800	18.5
347.12805	0.9
365.13742	1.4
383.14890	0.9
431.14355	0.5
541.85278	0.4
589.18530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49967	0.8
61.92247	0.8
75.73301	0.8
96.52076	1.0
106.77629	1.1
130.96140	0.8
206.10905	3.6
207.08054	2.1
216.09325	1.1
219.08032	1.6
220.08916	1.5
221.13257	3.5
223.07568	1.6
231.11816	1.5
234.10353	6.6
235.07520	6.5
248.08362	1.6
249.08989	0.9
249.09723	0.8
249.12700	17.3
252.07735	9.1
253.08543	1.9
259.11203	1.5
262.09851	5.6
266.09280	5.5
277.12210	22.5
278.12338	1.1
280.10840	5.2
295.13254	100.0
296.13605	3.5
571.23938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67932	0.5
55.05509	1.0
67.05488	1.8
70.38058	0.7
70.38386	1.0
79.05485	0.9
81.07050	1.6
81.81524	0.6
83.04956	0.8
91.05482	4.4
91.05965	0.7
93.07059	1.8
95.04959	6.3
97.06529	0.8
105.07022	2.4
109.06495	1.4
109.55592	0.6
117.07008	2.1
119.08575	1.8
123.04195	0.8
128.06229	2.2
129.07004	0.9
129.47304	0.5
131.08546	1.9
133.06519	0.8
133.10141	1.2
137.09621	0.7
141.06924	0.7
143.08548	3.3
145.06561	0.7
147.08055	1.6
159.11714	1.4
161.09570	0.8
171.08023	1.8
187.11223	1.2
190.47504	0.6
198.12146	0.6
201.12849	0.8
211.91060	0.7
223.09402	12.8
256.44202	0.7
269.11554	3.2
329.13550	27.2
339.13147	0.6
389.15674	100.0
390.16232	3.1
425.07846	0.7
489.89804	0.7
542.34601	0.6
589.26312	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	589.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
58.10048	0.5
61.85833	0.4
65.16346	0.4
67.05490	0.7
69.03418	1.1
69.07061	1.2
72.11085	0.4
79.05504	1.1
81.03401	0.8
81.07043	2.3
85.02896	1.0
85.06474	0.6
87.00827	0.7
91.05515	0.6
93.07038	1.6
95.04953	0.5
95.08606	1.7
97.77797	0.4
103.33980	0.4
105.07030	1.3
107.08577	1.1
109.02924	0.7
109.10178	1.1
119.08612	0.8
121.10146	1.2
123.11699	1.1
127.03930	0.6
133.10054	1.0
139.11160	0.7
144.60706	0.4
145.02853	0.6
149.13318	0.8
163.03899	0.6
177.05487	0.9
181.13603	0.4
199.91545	0.5
293.25125	0.5
305.24939	1.1
323.25952	0.9
351.94983	0.5
377.08969	0.4
379.10007	2.1
456.56604	0.5
509.86691	0.5
589.26190	100.0
590.26630	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28461	3.4
69.28876	1.6
79.36257	0.9
81.07033	1.1
91.05479	2.6
93.07052	1.3
95.04962	1.3
105.07018	2.1
117.07030	1.7
129.70827	0.8
131.08595	1.7
141.05209	5.8
145.10144	2.0
169.10103	1.1
173.09541	2.2
222.10960	1.6
223.09402	6.7
271.13010	15.7
341.38620	1.0
389.19287	100.0
390.19736	2.4
458.44852	1.0
504.56387	1.1
565.51636	1.1
589.30188	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	590.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36343	1.8
66.58097	1.8
69.24611	1.8
69.41882	4.2
69.42271	2.9
77.95125	1.7
85.02903	2.5
91.05487	1.9
95.08593	2.6
97.02896	1.7
100.11275	1.6
105.07027	3.8
107.01322	4.7
107.08560	2.2
109.02873	4.9
119.08569	2.6
121.10101	2.5
133.81529	1.9
137.02335	60.5
145.02841	3.2
163.03943	5.4
164.04245	2.3
172.05185	1.8
177.05478	1.8
203.18027	2.3
229.08563	2.0
230.09373	4.0
231.06525	2.8
235.07597	1.7
236.09006	2.0
245.08148	3.6
251.07025	2.1
274.08304	11.8
279.06610	2.4
305.07996	4.3
306.08759	10.8
307.06064	3.9
307.09491	2.0
309.11105	3.3
321.07602	4.0
322.08337	3.6
336.09982	4.0
337.10663	4.7
353.10196	3.0
367.12006	3.0
411.10721	100.0
412.10986	6.3
589.32849	1.9
590.32404	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	590.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01861	1.6
55.05503	7.0
57.07071	1.5
58.99580	0.9
59.14925	0.8
63.02058	0.8
63.02365	0.9
65.03941	1.9
67.05503	14.7
69.03413	2.9
69.07060	11.1
69.25434	1.4
69.25774	4.3
72.08144	3.3
73.02901	1.0
76.02235	1.2
79.05492	13.0
80.21998	0.7
81.03404	2.9
81.07047	38.3
83.08607	3.3
85.02927	5.0
87.00801	1.9
87.02679	2.0
89.03910	3.1
91.05471	22.5
93.07037	15.0
95.04960	2.7
95.08597	40.3
97.02884	2.5
97.10167	1.4
99.04482	1.0
101.13253	0.8
103.05466	1.6
105.01861	1.5
105.07020	67.5
106.07378	1.1
107.08578	19.2
109.02876	2.6
109.10145	33.0
111.11717	1.3
117.03348	5.3
117.07017	3.1
118.03725	1.5
119.08570	51.4
120.08878	1.0
121.06498	1.5
121.10125	18.5
122.02715	2.0
123.11684	8.2
125.05965	1.2
127.03909	3.3
131.08553	2.4
133.10117	34.7
135.04393	3.5
135.11690	2.8
145.02853	10.8
145.04909	1.3
145.10075	3.9
146.03137	3.6
146.10577	1.0
147.11670	78.9
148.11993	1.3
149.05946	1.6
156.33635	0.8
159.02850	1.4
159.04703	3.2
159.11687	1.7
161.02290	1.0
161.13240	16.0
163.03883	14.3
173.09564	1.1
175.14801	9.4
176.07373	6.8
177.05449	13.8
178.05789	6.4
201.16302	0.9
203.17931	100.0
204.18292	2.1
221.04437	5.5
229.08546	1.8
257.07980	1.2
274.01703	0.9
289.10715	8.2
301.06949	1.9
307.11658	1.8
428.13440	3.9
546.33112	4.3
589.31616	1.4
590.24585	3.4
590.33386	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	591.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35306	0.6
64.54765	0.6
67.30054	0.5
69.77128	1.1
72.53897	0.7
91.05477	0.7
98.23415	0.7
105.07017	0.7
105.17883	0.6
123.29807	0.6
135.29239	0.6
173.09682	0.6
195.82199	0.6
199.84846	0.6
201.50127	0.5
206.83186	0.6
223.94867	0.6
228.24667	0.6
230.52107	0.6
239.06783	4.8
289.05347	0.9
347.12531	10.1
348.12817	0.9
354.63266	0.6
391.11490	100.0
392.11902	4.5
537.92780	0.6
547.29407	1.1
591.20197	4.9
591.28918	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
61.04440	0.3
65.84502	0.3
67.05487	1.2
69.03401	0.4
69.07066	1.2
69.53829	1.4
69.54206	0.7
75.58501	0.3
79.05477	1.3
81.07047	1.8
83.04984	1.1
85.06537	0.6
91.05482	3.2
93.07045	2.1
94.57294	0.3
95.04947	2.2
95.08604	1.2
97.06485	0.4
103.05455	0.4
105.07020	2.9
107.08578	1.0
109.06494	0.8
109.10152	0.9
117.06979	1.6
119.08576	1.2
120.17892	0.3
121.10120	1.0
123.11679	0.5
127.00032	5.2
127.03898	0.5
128.06229	0.7
129.06984	1.0
130.07780	0.5
131.08583	1.7
133.06503	1.3
139.11165	0.6
141.06921	0.4
142.07910	0.5
143.08539	1.2
145.06465	0.4
145.10127	3.0
145.85011	0.3
147.08060	0.5
147.11728	0.6
148.25072	0.3
149.09630	0.5
149.13316	0.5
155.08531	0.8
157.10094	0.5
159.11652	0.4
171.08170	0.3
173.09538	1.7
182.92960	0.3
213.12611	0.4
215.10466	1.1
239.08868	4.4
253.12019	1.3
259.13043	0.4
271.13028	18.2
272.13434	0.6
289.14111	3.1
289.25537	0.4
295.26291	0.6
307.26257	1.0
313.14133	0.9
325.27484	0.4
325.95172	0.4
331.15128	20.2
332.15396	0.5
375.14108	100.0
376.14407	3.0
508.34512	0.4
591.25690	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	591.241
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43166	0.6
67.05495	1.3
72.08121	1.0
73.08755	0.6
79.05468	1.5
81.07045	1.7
81.33474	0.7
91.05493	1.1
93.07044	1.3
95.04945	1.4
95.08562	0.8
97.07146	0.7
105.07019	2.1
107.08588	1.2
115.02309	1.0
117.06997	1.1
119.08569	0.7
121.10133	0.7
127.00050	4.7
127.03910	0.9
129.07021	1.1
133.06499	0.8
135.99588	0.6
143.08542	1.3
145.10123	2.0
147.07968	0.8
149.09781	0.7
155.08553	0.7
157.10204	0.8
163.03934	0.9
167.19147	0.8
173.09673	1.1
224.48048	0.7
239.08871	17.4
253.11990	1.2
271.13022	14.1
271.15799	1.3
289.14087	1.5
298.01651	0.7
331.15115	14.0
332.15994	1.0
343.33084	1.8
355.02341	0.8
357.31015	0.9
375.14111	100.0
376.14447	2.4
391.13620	1.5
494.77539	0.7
591.23206	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50341	0.3
54.36789	0.3
56.86299	0.3
62.64963	0.3
64.50738	0.3
67.05480	0.4
79.05457	0.6
81.07007	0.7
83.04958	0.4
91.05441	1.3
93.07005	0.4
95.04935	0.7
98.23529	0.6
105.07015	1.6
117.06992	0.8
120.57944	0.3
121.06468	0.4
128.06183	0.7
129.06987	0.7
130.07756	0.6
131.08519	1.1
133.06436	0.3
143.08545	0.9
145.10098	1.2
155.08521	0.6
163.03983	0.3
169.90633	0.3
173.09572	0.7
183.04721	0.5
183.06284	9.3
223.09412	1.4
226.19022	0.3
271.13010	1.8
283.11487	100.0
284.11841	1.9
311.64926	0.3
323.10458	0.3
331.15140	13.8
332.15277	0.5
365.09131	0.3
429.01471	0.3
475.87979	0.3
513.02814	0.3
591.27649	16.8
592.28137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2777
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
66.49207	2.2
71.42418	1.7
106.65266	1.8
112.20122	1.7
126.35101	1.6
178.22000	1.7
271.57285	1.7
289.05472	3.2
323.92734	1.7
385.65857	2.3
386.28391	1.8
417.18942	2.7
431.20242	2.2
475.19559	2.6
505.27582	3.8
529.27740	6.0
547.28864	14.5
555.62500	2.1
573.26550	23.3
574.26678	1.9
591.27759	100.0
592.27936	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	592.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.05505	35.2
57.03429	2.5
67.10192	0.9
69.03409	4.6
70.06590	1.6
71.04984	14.3
71.43961	1.1
73.06544	2.1
81.03405	12.7
83.04972	100.0
85.02901	5.8
87.59258	0.9
92.29245	1.0
93.40981	0.9
95.04959	1.0
97.02882	10.3
99.04446	69.2
101.05998	14.8
101.94244	0.9
103.05437	0.9
105.07014	1.9
109.02869	11.4
109.03552	1.1
117.05489	2.8
119.04893	1.6
127.03916	11.7
137.05946	5.2
143.07051	1.3
145.04919	4.9
147.04393	7.2
151.07518	0.9
161.05968	1.6
177.05515	1.4
179.07034	4.5
181.08525	9.2
184.96979	1.0
199.09627	14.1
207.06511	3.1
209.08128	4.6
217.10771	1.7
225.07518	1.9
227.09119	8.9
236.97740	0.9
243.08749	1.8
245.10185	19.3
261.09677	2.0
307.11636	1.4
325.12738	14.9
343.13892	1.6
459.57690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.3
60.43680	4.1
61.86186	4.0
67.05486	7.5
75.32454	4.6
77.27535	3.7
79.05486	29.9
81.07047	77.3
83.04979	12.5
91.05473	32.0
93.07019	9.9
95.04937	13.9
105.07007	37.2
107.08578	8.4
109.06513	62.4
113.24888	4.3
115.05450	12.3
117.07014	40.4
119.08589	8.5
121.06496	4.5
128.06203	19.2
129.06995	30.0
130.07732	10.3
131.08568	42.2
133.10104	13.1
142.07748	7.7
143.08560	37.5
145.06505	6.5
145.10088	41.4
147.08041	4.8
147.29132	4.2
149.09541	5.4
155.08542	19.9
156.09354	6.1
157.10124	20.5
159.08070	5.6
161.09570	13.5
161.13202	4.5
165.07054	5.1
171.11667	8.5
173.09601	100.0
175.11084	7.6
185.13260	16.0
189.12796	5.4
195.11700	8.7
203.14420	10.0
213.12692	30.8
231.13736	50.6
398.89740	4.8
430.92444	4.7
565.34454	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	593.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23587	0.4
55.05499	0.6
64.13174	0.4
64.16211	0.4
67.05511	0.9
69.03426	0.4
69.07072	1.1
79.05484	0.4
81.03416	0.6
81.07049	2.7
83.08614	0.6
85.02888	0.7
87.00845	0.7
93.07060	1.2
95.08607	1.4
97.10188	0.7
107.08590	0.7
109.10151	0.8
117.79153	0.4
119.08556	0.7
121.10205	0.5
123.11717	0.6
127.03931	0.8
145.68932	0.3
149.13245	0.8
249.11023	1.3
273.26035	0.4
291.11984	0.7
291.26859	0.8
309.27957	0.6
313.18378	0.4
493.20438	33.4
494.20889	1.3
549.30609	0.6
575.28760	0.5
593.25635	100.0
594.26031	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	593.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
63.61528	0.5
65.67971	0.6
67.05493	1.7
69.03411	1.2
69.07053	1.0
79.05481	1.7
81.03411	0.9
81.07061	3.6
83.04989	0.7
83.08614	0.7
83.91438	0.6
85.02903	1.2
85.06538	1.0
87.00851	0.6
91.05472	3.1
93.07034	3.7
95.04979	2.0
95.08594	2.9
98.22726	1.5
99.04464	0.6
105.07042	3.4
107.08573	1.4
109.06456	0.9
109.10162	1.5
111.67445	0.6
115.05419	0.8
117.07045	1.4
119.04908	0.9
119.08573	1.1
121.10105	1.6
123.11668	0.9
127.00026	4.8
127.03900	1.2
128.06207	0.8
129.06981	1.6
131.08548	2.5
133.06482	1.9
137.13220	0.9
141.05219	2.3
143.08525	1.3
145.10130	2.8
147.04413	1.3
147.08044	0.6
149.09607	0.8
149.13290	1.1
155.14183	0.6
173.09599	2.2
175.03867	0.7
181.60667	0.6
207.06453	3.0
241.10445	26.9
242.10677	1.0
249.30884	0.6
253.11974	1.3
271.13016	13.7
289.14063	2.0
293.21118	0.6
313.13980	1.1
327.25119	0.8
331.15109	15.3
357.12964	1.0
375.14105	100.0
376.14478	4.1
593.25610	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	593.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
55.16728	0.5
67.05493	0.6
68.54312	0.5
69.76585	0.8
69.76938	1.5
72.59357	0.5
78.24213	0.5
79.05495	1.7
81.07054	1.2
83.01704	0.5
83.04965	1.1
85.06513	0.7
91.05465	4.0
93.07019	1.9
95.04951	2.3
97.06498	0.5
105.03374	2.9
105.07032	5.0
107.08566	0.9
109.06496	0.9
114.14814	0.5
115.05499	1.1
117.07013	3.9
119.08611	1.5
123.04216	1.2
128.06229	1.7
129.07013	2.6
130.07814	1.2
131.04941	0.5
131.08595	3.2
133.06493	2.0
133.10127	0.8
142.07787	0.7
143.08557	1.9
145.02606	0.9
145.06433	0.7
145.10152	3.3
149.09612	0.7
154.07697	0.7
154.24442	0.5
155.08546	2.3
171.08035	0.8
173.09610	4.2
223.09398	34.3
248.29289	0.6
250.35059	0.7
253.11974	1.2
271.13034	28.7
272.13550	0.8
304.68326	0.5
371.18146	0.9
375.15637	0.8
393.16693	100.0
394.17197	4.0
529.31940	0.9
547.33441	0.7
565.34009	0.6
593.27142	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	593.272
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	2.4
62.95452	1.4
65.07471	1.6
70.34836	3.3
71.07358	2.3
72.08134	2.4
86.09689	9.8
87.10052	1.7
87.68977	1.6
93.07027	1.5
104.10728	31.4
105.11074	5.2
125.00002	3.0
172.95213	2.6
180.95708	2.6
198.96840	8.1
216.97757	3.9
263.38449	1.8
299.08881	31.8
317.17795	4.9
318.18243	4.3
333.14566	7.4
335.18600	2.2
357.13086	2.7
498.18503	1.9
500.23434	2.4
501.24448	1.8
557.27802	3.8
593.27008	100.0
594.27600	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	593.2753
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.19910	0.8
62.98007	0.7
70.59074	1.0
79.88405	0.7
177.62700	0.9
300.68033	0.7
311.47699	0.7
403.19229	1.8
416.20511	0.8
417.20914	1.5
419.22183	2.2
431.18402	6.4
432.19458	1.7
433.24237	4.1
434.24158	0.9
445.19922	6.9
446.20978	2.6
447.21976	4.2
459.21655	3.0
460.22504	10.9
461.23114	8.9
462.23975	1.3
473.23767	1.7
476.25934	1.1
491.24570	1.2
492.24606	1.1
505.21976	4.5
533.25403	25.5
534.26031	1.7
579.25867	0.8
593.27527	100.0
594.28021	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	593.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	1.2
67.05510	0.8
68.32241	0.9
69.07056	0.9
81.07043	4.0
82.63245	0.8
85.02930	1.2
93.07041	2.4
95.08610	1.9
97.02905	1.0
105.06988	1.7
106.93116	0.8
107.08620	1.5
109.10149	1.0
125.57930	0.8
127.03931	1.0
149.66118	0.8
172.12605	0.7
185.04228	0.9
203.05293	2.7
218.69733	0.8
227.05228	1.0
229.03212	1.1
242.76889	0.7
243.04803	3.3
245.06299	8.3
247.79488	0.7
262.91718	0.8
271.04214	1.4
287.03699	21.2
289.05267	84.6
290.05646	1.1
320.50998	0.8
327.22879	15.2
329.24448	12.1
329.28201	1.1
345.24030	5.1
507.29578	1.6
513.28137	1.3
531.29309	5.1
549.30298	17.3
550.30353	1.0
557.27136	9.2
575.28210	35.5
576.28491	1.2
593.29236	100.0
594.29565	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	593.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38900	1.4
55.18248	1.3
56.31737	1.4
67.56249	1.4
69.68407	3.5
69.68754	2.6
78.20660	1.4
81.07042	1.3
93.07043	1.7
98.23397	2.2
107.08669	1.6
164.26593	1.5
190.79742	1.5
201.94608	1.3
245.06256	9.2
271.04269	1.9
287.03735	8.9
289.05286	100.0
290.05759	1.8
327.22916	14.6
379.72656	1.5
507.22403	2.1
531.29657	3.0
541.56024	1.7
549.30316	11.6
557.27423	3.3
575.28351	23.7
593.29395	54.5
594.29565	2.1
618.88574	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
61.24389	2.7
69.03426	18.9
71.04990	4.7
79.15766	2.6
81.03409	12.1
85.02900	84.6
91.05461	20.1
95.94588	2.8
97.02883	34.9
99.04452	40.2
102.54996	3.1
103.03932	96.0
109.02869	16.4
127.03904	100.0
138.42273	2.7
145.04947	83.7
163.06006	91.6
195.15102	2.9
271.08136	7.7
289.09219	13.8
307.10196	21.3
347.18591	4.0
594.19916	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	594.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60467	9.8
55.01863	13.8
55.05497	33.5
57.03426	19.7
65.35528	10.1
67.05493	71.4
69.03429	45.4
69.07056	29.3
71.04980	30.8
71.43886	16.8
79.05497	71.8
81.03413	45.6
81.05787	8.5
81.07049	100.0
83.04977	22.5
83.08630	10.6
85.02883	59.2
85.06524	27.6
87.00824	22.9
91.05463	45.7
93.07046	60.9
95.04971	22.0
95.08593	62.6
97.02875	28.0
97.06524	28.2
99.04459	18.0
99.08106	25.4
100.11254	34.3
105.01836	11.4
105.07027	64.1
107.04974	16.2
107.08585	37.9
109.02872	17.6
109.06504	13.9
109.10149	31.9
111.04508	10.0
111.08061	12.4
117.07059	18.2
119.08545	29.7
121.06471	15.5
121.10111	53.7
123.08056	26.6
123.11717	11.4
125.05973	48.6
127.03903	38.6
129.06985	10.7
130.97777	10.0
131.08556	29.5
133.10086	30.7
135.11671	45.6
143.07007	23.3
143.08539	9.8
145.04903	10.5
145.10106	43.8
147.04323	16.8
147.11691	19.7
149.13249	17.3
151.07484	23.5
159.02881	9.6
159.11713	21.6
161.13208	12.9
173.09660	24.8
173.13145	22.8
177.12791	13.1
182.15312	11.4
187.11121	29.2
191.10629	15.9
193.12196	10.5
204.66228	9.7
205.12199	30.5
210.14925	13.4
215.10580	26.9
215.18027	13.4
233.11711	29.6
233.18747	11.8
241.96223	10.3
248.78247	8.8
257.19022	15.3
258.48218	8.9
267.11276	11.0
275.20029	53.9
279.11102	19.4
293.21109	99.2
294.21494	9.6
311.22153	55.5
329.13849	17.6
329.23123	29.6
453.86243	11.4
471.88196	10.4
539.57135	11.5
594.24121	37.4
594.45935	26.0
595.24860	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	594.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01891	1.7
55.05511	35.8
57.03429	8.5
59.05011	1.9
65.28719	1.5
69.03417	9.7
69.56384	3.5
69.56770	4.0
70.06595	2.1
71.04984	9.0
73.06533	7.6
81.03402	17.4
83.04973	61.1
85.02898	24.4
91.05452	2.8
97.02870	10.1
99.04460	3.7
101.06016	45.3
103.51280	1.7
109.02871	34.3
113.65681	1.6
117.03400	1.7
119.04963	2.4
119.07069	7.1
125.02319	4.2
127.03889	16.2
129.05478	2.7
135.04401	3.7
137.02318	19.4
137.05998	3.1
143.07022	5.0
145.04970	8.3
147.04404	16.7
153.01855	2.8
161.08092	6.9
163.03906	13.5
179.03477	1.8
179.06992	4.6
181.04996	2.2
183.10179	4.0
185.08067	2.4
201.11174	10.4
209.08122	12.4
227.09076	14.0
245.10194	15.7
252.67422	1.6
263.11276	4.7
287.05472	100.0
305.06412	4.4
309.13303	3.7
327.14377	25.0
345.15356	4.0
481.06018	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62391	0.8
51.02369	1.0
53.03952	0.9
55.01856	2.6
55.05513	4.2
65.03923	5.0
67.05492	7.9
67.16564	0.8
69.03416	1.8
69.07057	8.2
69.63228	3.5
69.98132	1.0
71.04988	3.5
72.18413	0.8
72.79467	0.9
76.85641	0.8
79.05489	10.3
81.07059	10.4
83.04978	7.5
85.06540	2.6
91.05466	40.5
93.07030	15.1
95.04952	19.1
95.08590	6.4
97.06516	5.5
103.05473	4.3
105.04517	1.3
105.07016	57.2
107.04960	2.3
107.08562	8.1
108.08095	1.3
109.06526	6.4
109.10166	1.2
110.09700	1.7
111.08040	1.3
115.05425	10.4
116.06226	3.8
117.07005	59.6
118.07292	1.1
119.04957	4.2
119.08567	16.4
121.02866	2.8
121.06466	6.1
121.10127	2.7
123.08076	3.5
128.06201	16.1
128.07076	1.5
129.06993	34.1
130.07771	13.6
131.04886	1.1
131.08560	41.0
133.06487	7.5
133.10123	19.7
135.08047	5.2
137.05994	1.0
137.09543	1.2
139.03822	1.2
139.07507	0.9
141.06943	5.6
142.07767	13.9
143.08539	40.6
144.09312	2.7
145.06458	5.1
145.10106	65.5
147.08037	7.1
147.11650	5.0
149.02332	41.8
149.03427	3.2
149.09592	3.4
150.02643	1.9
151.95029	1.0
153.06979	4.4
153.09276	1.1
154.07748	2.9
155.05928	1.4
155.08522	16.2
156.09325	6.1
157.10112	25.2
158.07263	3.4
159.08023	4.2
159.11676	8.8
161.09630	11.3
161.13199	5.5
163.11169	2.6
165.06982	3.5
167.08577	1.3
168.09280	1.3
169.10103	5.2
170.10893	2.3
171.08063	4.3
171.11670	12.3
173.09596	100.0
173.13280	3.3
174.10033	1.7
175.11171	15.0
175.14806	3.6
177.09041	1.8
180.09384	2.4
183.11673	2.1
185.09680	1.4
185.13234	28.5
187.11179	3.9
189.12715	5.6
191.08974	1.8
191.10646	17.5
191.12346	0.6
193.04950	24.2
195.11710	6.7
198.10385	1.1
201.12660	1.8
203.14273	15.8
213.12700	16.7
231.13785	32.0
240.48763	0.9
244.16893	1.6
249.14732	5.5
262.17984	1.2
273.01324	0.8
287.16321	3.4
298.98898	0.9
301.39526	1.1
345.20563	0.9
363.21729	1.5
376.24768	8.7
385.09012	3.3
394.25955	1.4
509.57318	0.9
537.30341	5.1
577.13348	36.0
578.13892	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	594.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14375	2.2
54.48295	2.1
55.01856	4.9
55.05506	23.4
59.09003	2.2
67.05492	7.2
69.03448	3.0
69.07063	4.6
71.04977	6.2
73.54898	2.2
79.05463	13.7
80.95288	2.2
81.07046	13.9
83.04959	14.6
83.08618	12.6
85.06511	4.7
91.05471	39.4
93.07053	11.0
95.04955	21.5
95.08597	8.0
97.06522	4.5
103.05462	2.7
104.82745	2.2
105.07019	59.4
107.04991	2.7
107.08575	10.0
109.06504	6.5
111.08118	3.2
115.05457	10.2
117.07009	61.4
117.07806	4.1
118.93201	2.1
119.04875	2.5
119.08556	19.2
121.06469	6.4
121.10142	3.4
121.19907	2.6
123.08011	4.1
128.06221	15.6
129.06984	42.5
130.07776	15.4
131.08553	45.9
133.06470	9.2
133.10123	21.2
135.08047	5.6
141.06993	7.3
142.07767	19.1
143.08542	44.8
144.09392	2.2
145.06467	7.1
145.10109	80.9
147.08014	11.0
147.11661	5.2
149.09595	3.5
153.06882	3.9
154.07780	3.2
155.08543	22.4
156.09344	6.7
157.10150	27.4
159.08060	4.0
159.11656	17.6
161.09583	11.7
161.13315	4.2
165.07082	2.8
169.10138	5.5
170.10860	3.6
171.08018	4.7
171.11662	14.1
173.09596	100.0
175.11147	11.9
175.14761	4.6
180.09338	3.7
183.11617	3.4
185.13255	32.8
187.11139	6.4
189.12727	5.2
191.10678	14.4
195.11665	10.1
201.12529	2.4
203.14299	19.5
213.12726	27.4
228.70139	2.3
231.13789	56.4
249.14909	6.9
301.18005	3.9
566.34302	6.4
601.39636	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	594.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.5
53.03946	1.5
55.05258	2.1
55.05508	30.9
57.03433	2.3
57.68004	1.1
62.98212	1.1
65.03937	2.0
67.05497	5.1
69.07050	2.0
71.04989	3.0
79.05486	10.9
81.07037	11.1
82.29381	1.2
83.04974	64.8
85.06551	2.3
91.05472	36.8
93.07040	12.6
95.04955	18.1
95.08582	6.4
97.06525	3.6
101.05990	1.8
103.05462	3.0
105.07024	45.4
105.45315	1.2
107.08598	6.2
107.47056	1.6
109.06508	5.4
113.26292	1.3
115.05450	8.7
116.06243	4.8
117.07007	43.3
119.04898	3.1
119.08564	14.3
121.06480	4.3
121.10123	2.2
123.08035	2.6
128.06209	17.2
129.06992	43.5
130.07771	7.3
131.08563	48.1
133.06456	5.3
133.10115	13.0
135.08018	4.5
141.06999	5.8
142.07770	12.2
143.08554	36.8
144.09299	1.9
145.06461	6.8
145.08968	2.6
145.10110	45.3
146.10475	1.8
147.08029	5.4
147.11702	4.1
149.09593	4.7
152.72141	1.3
153.06975	4.0
154.07750	4.6
155.05974	1.9
155.08549	20.5
156.09329	6.3
157.10098	20.3
158.07249	1.9
159.08046	4.1
159.11667	11.6
161.09598	11.4
161.13239	3.9
163.07605	1.4
163.11189	1.9
165.06969	2.6
169.10075	6.3
170.10904	2.7
171.08028	3.9
171.11639	12.6
173.09604	100.0
174.09961	1.8
175.11194	7.4
175.14699	2.2
180.09358	3.0
183.11661	1.8
185.13199	15.6
187.11230	3.0
189.12704	3.7
191.10742	6.9
195.11691	5.3
198.10408	2.8
201.12653	2.5
203.14314	12.1
213.12732	26.6
231.13799	39.0
232.14128	2.3
249.14862	3.3
258.18475	1.7
273.14893	9.2
276.19647	1.6
319.15137	1.3
331.18958	1.7
376.24753	7.1
456.88080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
53.99585	0.3
55.01865	1.3
55.60898	0.3
57.03423	0.5
58.08847	0.3
58.73843	0.3
60.60589	0.3
61.02904	0.6
67.01865	2.8
67.05499	0.3
68.38182	0.3
68.46566	0.3
68.99775	1.5
69.03423	9.0
70.96552	0.4
71.04998	1.6
75.85404	0.3
77.42752	0.3
81.03416	16.2
83.01346	0.3
85.02900	7.5
87.00826	2.8
97.02889	16.1
99.04453	4.2
103.03974	0.3
105.01868	1.2
107.01344	0.5
107.04949	0.3
109.02872	14.4
111.63593	0.3
121.02855	0.7
123.04403	0.6
127.03910	30.0
129.01808	0.4
135.04411	0.8
137.02339	100.0
137.03424	7.1
138.02702	1.8
139.03888	3.6
145.04942	1.1
147.04420	0.7
151.03914	1.1
163.03911	0.8
175.03926	0.9
177.01848	1.1
179.03378	5.6
181.05003	0.4
187.04388	0.5
187.05994	3.3
195.02867	0.7
201.05455	0.5
203.03389	2.7
213.03870	1.0
213.05611	0.5
217.05058	0.6
229.04987	1.0
231.04993	0.9
235.06030	0.6
241.04961	0.9
245.04495	0.5
257.04501	0.4
259.05988	1.1
269.04538	0.5
273.06104	0.6
283.32401	0.4
284.84116	0.4
287.05496	5.2
291.07034	0.4
299.05499	0.8
305.06528	22.3
306.06949	0.5
311.05634	1.0
329.06433	2.9
347.07742	0.4
353.06564	1.6
367.08252	0.5
371.07712	0.8
377.06631	1.4
395.07620	5.6
413.08829	1.1
455.09534	0.5
457.34033	0.3
499.08920	0.7
559.10730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41610	5.3
65.38100	5.7
69.11253	27.3
69.11703	7.0
84.72570	5.8
98.23534	11.5
153.34198	5.5
275.60776	6.0
301.08490	20.9
317.05548	74.8
317.11246	9.0
403.61685	5.6
417.59906	7.4
595.16962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03927	0.4
55.01882	0.2
57.03431	1.9
58.37827	0.2
61.02923	0.4
68.99801	0.3
69.03426	1.1
69.37617	0.8
71.04987	10.7
73.02903	0.3
75.04483	0.7
81.03401	0.7
83.04974	0.9
85.02897	15.0
87.04463	0.2
97.02894	1.2
99.04463	0.2
105.03381	0.2
107.04917	0.3
109.02876	0.6
111.00787	0.7
111.04453	0.5
121.02862	2.1
127.03909	0.8
129.05470	3.2
133.02802	0.6
137.02338	0.7
145.04939	0.8
145.06425	0.3
147.06514	0.9
153.01794	2.9
165.01794	1.6
171.04398	0.2
172.59674	0.2
180.02477	0.2
183.02864	0.9
213.05405	1.2
231.06516	0.7
241.04968	0.9
258.05225	0.7
259.05826	0.2
259.25183	0.3
281.19748	0.2
287.05466	100.0
288.05795	3.9
299.05536	0.2
311.85339	0.2
347.07629	0.4
449.10706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03927	0.3
55.01848	0.3
57.03414	0.5
61.02902	0.8
68.99782	0.5
69.03424	1.8
71.04985	0.6
75.37650	0.2
81.03400	1.3
85.02905	5.4
91.03930	0.3
97.02882	2.0
99.04466	0.3
105.03349	0.3
107.04932	0.4
109.02855	0.8
111.00798	0.4
118.95918	0.2
121.02859	2.0
127.03898	0.9
137.02338	0.3
145.04941	0.9
147.04356	0.4
153.01804	2.8
165.01785	1.2
175.60381	0.3
181.04945	0.5
183.02861	0.7
185.05957	0.3
192.47231	0.3
201.05505	0.3
213.05415	1.0
231.06476	0.5
241.04880	0.6
258.05185	0.7
259.05984	0.3
287.05466	100.0
288.05814	2.6
312.57431	0.2
352.76572	0.3
433.11237	3.2
442.08038	0.2
611.74945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92865	0.2
64.73733	0.2
67.73410	0.2
69.18518	1.1
77.69761	0.2
78.87013	0.2
96.42793	0.2
104.10727	3.0
105.11068	0.3
137.49352	0.2
155.53908	0.2
168.69127	0.2
170.93440	0.2
184.06262	0.2
299.06714	3.3
319.12994	100.0
320.13330	3.6
337.14157	0.5
360.15671	1.9
589.00385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03983	1.4
55.01927	0.9
55.05574	2.6
57.03487	0.8
57.46388	0.8
65.14885	0.7
67.05579	2.4
69.03436	4.9
69.07140	2.5
69.09098	5.6
73.25244	0.7
79.05568	2.5
81.03501	4.2
81.07052	6.3
83.05054	1.1
83.08673	1.4
85.02991	4.4
87.00880	1.6
91.05476	4.6
93.07124	2.4
95.05006	0.8
95.08600	5.6
97.02972	1.3
99.04527	1.5
100.11305	1.7
105.01916	0.9
105.07024	9.0
107.08674	2.5
109.02976	2.8
109.10256	3.0
117.07112	0.7
119.08567	5.3
121.10193	1.7
127.00035	3.9
127.03996	3.1
128.07137	0.8
131.08609	0.8
133.10094	3.8
135.11713	1.1
142.12369	1.1
145.10207	1.0
147.04437	1.4
147.11676	8.4
159.02960	1.3
161.13269	1.2
163.03929	1.6
182.15451	2.1
203.05286	1.6
203.18056	1.7
210.14946	2.7
227.05298	1.1
229.03253	0.8
233.63707	0.7
245.06317	6.4
271.04282	3.4
287.03317	7.4
289.05267	100.0
290.05597	1.1
447.23489	6.0
491.22476	37.3
492.22485	2.8
507.25082	2.1
551.24445	9.0
594.45135	2.5
595.23407	37.4
595.44720	1.5
596.23431	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01869	0.4
58.75573	0.3
58.90435	0.3
63.37819	0.3
65.03925	1.6
69.03421	1.6
69.21484	0.3
70.91401	0.6
76.03118	0.3
81.03422	3.2
81.07040	0.4
85.02897	0.7
85.06519	0.7
91.05474	17.6
93.07027	0.4
97.02879	0.8
102.71090	0.3
103.05406	0.4
107.71765	0.3
109.02867	1.4
117.03298	0.5
118.04147	0.4
119.04935	27.3
121.02869	0.7
127.03879	0.6
131.08566	0.4
132.02066	1.8
133.02907	0.4
135.04361	0.6
136.05130	0.7
145.02820	0.8
147.04396	24.1
148.04715	0.7
149.02306	1.0
149.05916	0.4
149.09602	0.5
157.03972	3.6
163.03886	0.6
164.04633	0.7
167.07054	0.6
175.03888	41.9
176.04268	1.0
177.05579	0.4
179.06987	2.0
181.04935	1.3
191.10651	0.4
192.04153	1.0
207.06506	100.0
208.06754	1.6
225.07483	0.8
287.05539	0.9
314.02625	0.3
351.10681	4.6
369.11777	8.7
416.14630	1.3
428.72058	0.4
595.22327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80928	2.4
55.05511	5.0
57.03429	7.9
64.12970	1.8
65.03937	3.1
67.05500	35.3
69.07061	10.8
69.30729	12.0
79.05486	17.8
81.03387	11.4
81.07040	26.1
83.08587	2.4
85.02895	2.2
91.05485	7.3
93.07031	21.2
95.08616	23.5
97.48856	2.3
98.23415	5.1
98.98454	24.0
104.10728	6.3
105.07002	5.2
107.08569	11.8
109.02889	9.3
109.10154	10.3
119.08541	4.5
121.10159	6.0
123.11713	2.9
127.03856	2.8
131.08530	5.3
133.10110	5.8
135.11694	5.2
145.10074	3.3
149.13237	2.8
159.11656	1.9
173.02094	2.0
228.27986	2.4
261.03775	10.2
335.07309	3.0
335.25766	100.0
336.26044	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	595.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06615	0.5
53.03936	0.5
55.05472	0.6
58.06595	13.0
59.07377	4.4
60.08160	48.5
67.05495	1.1
68.05033	0.6
69.07070	3.4
70.06591	0.5
71.42149	0.5
72.04479	0.5
72.08136	1.6
79.05484	1.0
81.07063	1.1
82.06555	1.2
84.08134	4.8
86.09725	0.7
87.04469	0.6
91.05465	6.4
93.07056	2.4
94.06589	0.6
94.22055	0.5
95.04967	1.7
96.04476	1.5
96.08128	1.1
97.06526	5.4
103.05456	7.0
105.07030	2.7
107.04964	1.2
110.06034	1.7
114.09167	3.2
114.12794	3.4
117.07014	0.5
117.87994	0.5
118.06555	0.8
119.04926	1.5
119.07307	2.2
120.08094	78.7
121.06512	0.7
121.08427	0.9
123.04421	1.6
124.07594	1.8
124.64992	0.5
125.08404	1.2
126.09163	0.7
130.06511	2.0
131.04851	0.7
132.08086	1.8
133.06598	0.5
134.09673	2.3
136.07576	1.8
138.09137	6.7
145.02843	0.7
146.05994	1.2
147.04385	2.4
147.09163	0.8
152.14359	1.2
154.08638	0.6
158.05986	0.5
159.06802	0.6
160.07544	1.5
161.09579	1.0
162.05560	1.1
163.03922	2.0
165.05482	1.1
172.07614	0.6
172.41402	0.5
173.09605	1.2
173.16483	13.9
173.18005	0.7
175.08647	1.4
176.07080	0.5
177.05531	0.6
177.09091	5.1
177.10388	0.7
180.13788	2.4
182.08078	0.8
185.09677	0.7
188.14343	6.3
189.05428	0.5
189.09074	4.7
190.12279	4.8
200.10724	4.8
202.04945	0.8
202.12234	7.6
213.09081	0.6
214.12221	1.4
216.13858	1.2
219.10132	3.8
228.10245	0.9
229.13260	0.6
230.11755	0.8
231.10146	4.9
231.14859	0.6
236.12839	1.8
238.08612	0.8
246.07596	1.2
246.11411	0.9
248.12746	3.2
273.15985	1.4
287.05359	0.7
312.08835	0.5
315.20541	1.5
333.21725	1.6
361.21185	1.0
367.20261	0.6
389.20859	0.9
398.12244	0.9
415.12463	2.1
416.13373	0.9
463.26169	0.6
480.28461	1.5
508.28336	1.3
536.27502	20.4
537.27533	1.7
567.35364	28.8
568.35651	1.5
578.16382	1.3
595.34833	100.0
596.35193	6.6
609.54932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
60.04517	0.7
69.03433	0.7
69.07053	0.8
69.84872	2.3
70.06587	100.0
71.06925	0.9
72.08154	17.3
84.08142	0.7
85.02894	1.0
86.09702	37.3
91.05482	1.0
98.06071	2.3
100.09586	0.6
104.37943	0.8
116.07079	10.5
119.04954	1.1
126.05494	1.5
127.08665	19.6
129.10210	3.4
131.04951	1.8
137.05981	0.8
140.14336	1.4
154.15921	3.0
155.08141	75.4
156.08546	0.8
157.09714	1.0
165.22147	0.6
167.07072	1.8
172.10808	1.5
181.04959	4.3
183.14920	9.6
185.16484	1.5
186.15735	0.7
192.14355	0.6
197.30634	0.7
199.10809	1.8
211.14407	11.8
213.15993	1.0
219.72662	0.6
226.15497	15.6
229.15477	3.3
237.19690	1.1
250.15477	1.1
252.17000	0.8
254.14990	29.0
268.16553	12.5
270.18195	1.1
287.05502	4.6
339.23911	20.9
345.19296	0.6
367.23373	41.8
368.23834	1.4
381.25095	1.4
403.13834	0.9
416.14438	1.1
452.32315	14.9
453.32782	0.8
480.31787	38.4
481.32376	1.3
482.29922	1.9
563.19287	0.7
595.38037	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05503	0.9
60.08152	0.9
65.03935	6.2
67.05489	2.6
69.03409	1.4
79.05490	1.0
81.03411	1.1
81.07066	1.6
89.03904	3.9
91.05454	2.5
91.24057	0.8
93.03390	7.3
93.07039	1.2
95.04944	0.8
95.08601	0.8
97.02882	100.0
97.79903	0.7
98.03225	0.9
105.07027	0.8
109.02904	0.8
111.04433	0.9
117.03365	12.3
119.04910	1.8
120.08086	2.0
121.02867	2.6
121.10123	0.7
125.02335	1.2
125.05988	1.4
128.06258	1.1
128.10736	0.9
129.06993	6.1
135.04420	1.5
137.05946	1.6
139.03908	1.2
141.06969	1.1
145.02831	35.2
145.06538	0.9
147.04410	4.6
148.04774	2.1
149.02325	10.7
149.05954	5.4
151.03897	3.6
157.06485	7.5
161.05963	0.8
163.03906	2.3
165.05547	0.9
167.03387	55.9
167.04691	2.2
169.06496	2.5
175.07463	1.0
177.05447	87.3
178.05820	1.1
181.04980	3.1
182.05229	1.4
183.06551	2.5
185.05992	2.3
187.07512	1.1
188.08287	1.3
189.05476	1.7
189.09088	9.5
196.06367	1.0
199.07498	6.8
201.09145	0.8
206.08093	3.4
207.06534	3.0
213.05489	2.4
215.07056	1.6
217.08594	9.0
227.06993	6.4
245.08086	13.9
254.75211	0.8
255.06628	0.8
273.07556	4.3
287.05423	1.0
288.05862	1.9
291.08603	46.5
292.09036	1.6
303.41132	0.8
309.09665	7.8
333.89175	0.7
399.82025	0.7
407.05356	0.8
416.14386	0.9
417.15106	1.5
568.20953	0.8
596.16583	1.1
596.34833	2.2
597.14667	0.8
597.25220	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56101	1.8
53.03947	3.8
55.01870	2.9
57.03423	2.3
60.91468	1.9
61.02920	3.8
67.83134	1.6
69.03423	16.3
70.60255	3.4
71.04987	6.0
73.02925	3.2
81.03410	16.8
83.04967	2.5
84.08133	3.9
85.02899	39.8
87.00822	15.4
93.55903	1.8
95.08595	3.8
97.02895	12.6
99.04453	6.8
105.01870	10.6
109.02876	15.5
115.27240	1.7
117.01853	2.6
127.03903	24.5
129.06895	1.6
130.08647	6.0
130.15923	3.7
143.08624	3.0
145.04918	11.8
149.05974	1.9
157.06512	4.9
159.02850	8.8
165.09126	5.5
171.08063	9.3
173.09518	2.4
175.07599	3.2
183.08063	3.8
183.11674	2.1
185.09569	2.8
185.13330	2.1
187.07614	2.3
189.09178	5.1
191.10674	7.1
195.08034	2.1
197.09648	2.8
198.06650	4.0
199.07549	10.9
199.11258	6.0
201.12704	6.4
205.08810	2.0
205.12270	6.6
207.08432	2.7
207.10062	11.6
209.09595	3.6
211.07584	2.0
211.11140	4.3
213.12741	32.3
215.10567	3.4
217.12193	6.4
219.13849	7.2
225.12659	3.3
227.10857	4.1
227.14392	2.1
229.12199	45.7
231.05078	5.1
231.13814	12.1
235.11119	3.2
241.09776	1.4
241.12221	36.2
243.13904	3.3
251.14377	7.1
253.12151	5.4
253.15871	3.4
257.11673	2.3
259.13278	15.8
267.17200	1.9
269.15375	4.1
271.13351	6.2
271.16904	8.3
277.15912	2.8
285.18564	8.3
287.16473	2.0
289.14227	6.9
295.16861	11.3
313.17944	36.9
314.18121	2.3
331.19009	100.0
332.19150	3.1
341.17429	6.7
559.07397	2.1
596.30920	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	596.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33016	3.6
53.03938	10.8
54.57537	3.6
55.01873	8.0
55.05507	11.1
57.03431	8.0
60.96396	3.5
61.02911	6.5
63.11282	4.1
68.99780	8.6
69.03427	41.2
69.07054	7.9
70.20973	8.3
71.04993	6.0
73.02917	5.3
81.03418	35.9
81.07063	9.2
85.02402	6.8
85.02901	90.6
87.00827	47.5
90.40040	3.8
94.83611	3.4
95.08564	7.5
97.02889	44.1
97.10156	23.6
99.04447	14.4
104.41673	3.6
105.01872	47.4
105.64130	4.2
109.02879	36.4
123.11700	27.4
127.03916	58.9
129.06999	5.9
145.04950	28.4
149.05977	13.1
149.41998	3.7
159.02882	17.8
160.08598	3.5
171.08058	8.3
175.07539	73.8
177.05527	9.6
185.09546	3.9
189.09077	76.7
189.10625	7.7
195.06546	6.3
199.07594	5.5
201.09145	12.8
203.07031	48.3
203.10686	16.7
213.70343	3.9
215.10690	6.5
217.08627	23.6
221.08063	100.0
229.08609	4.1
231.05035	16.7
231.10164	7.3
235.09613	61.0
249.11227	10.8
285.15558	8.1
285.18491	92.1
285.88217	4.4
290.60724	3.9
311.16193	6.5
313.17969	27.9
331.19022	92.0
332.19409	5.8
407.87225	4.1
421.20151	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	596.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93038	1.6
61.96411	1.5
64.72578	1.6
69.43922	4.4
69.44308	3.6
77.54799	1.5
79.04921	1.7
81.07027	2.0
86.26792	1.6
105.07020	6.2
116.12838	1.8
134.83354	1.4
139.58040	1.6
154.11391	1.7
163.45496	1.4
166.07686	1.7
167.08627	2.4
178.07828	2.0
179.08522	2.1
180.09319	1.5
181.10120	4.6
189.07053	2.7
191.08534	3.0
192.09325	3.4
193.10147	4.8
194.10936	1.9
202.07784	3.4
203.08548	5.8
204.09335	21.1
205.09874	2.0
206.07359	2.1
206.10887	2.0
209.09651	6.5
211.07689	1.8
218.10919	3.5
219.08076	3.5
219.11632	19.3
221.09485	2.5
222.10457	2.1
223.07518	2.9
223.11177	2.4
223.14774	3.9
224.08282	7.5
228.09171	1.6
229.10083	2.4
231.08127	2.5
232.08849	11.4
233.13226	4.4
235.07628	3.2
235.11229	5.7
236.08324	3.7
236.12000	5.1
237.09016	7.9
237.12761	2.2
237.85115	1.4
238.09776	3.2
239.10670	3.2
246.10364	2.5
247.11180	25.6
249.09131	6.5
250.09929	9.5
251.10741	3.1
251.14282	12.1
261.12756	2.3
263.10626	9.3
264.11426	21.3
265.12210	78.5
266.12366	3.7
279.13751	100.0
280.14182	3.5
281.15329	23.2
283.13150	2.2
296.14093	3.7
297.14908	14.7
428.92883	1.6
430.26523	1.6
527.77118	1.7
573.35583	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84254	1.7
69.85125	7.0
132.36208	1.7
137.54314	1.8
166.04010	1.7
178.07767	2.2
179.08450	2.0
181.10178	3.9
191.08519	2.8
195.08084	2.7
203.08484	3.4
204.09323	9.7
205.10040	2.2
206.11050	2.0
209.09599	4.9
218.10878	2.5
219.08025	2.4
219.11630	16.4
221.09602	4.3
223.07590	2.3
223.14771	2.3
224.08310	4.7
229.10149	4.1
232.08813	5.5
233.13234	3.8
235.11159	2.2
236.08327	4.8
236.11943	3.1
237.09099	5.8
238.09822	1.9
246.10310	2.9
247.11140	18.4
249.09050	3.8
250.09886	5.6
251.10628	2.4
251.14302	9.4
261.12650	2.2
264.11362	16.5
265.12219	41.4
279.13766	100.0
280.14133	3.0
281.15408	5.1
283.13281	3.8
296.13864	3.9
297.11392	2.7
297.14771	29.4
297.17905	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	596.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71825	0.5
52.34314	0.5
70.02747	0.9
94.53900	0.5
97.80738	0.5
98.23376	1.1
100.73491	0.5
151.07390	0.6
168.09154	0.6
178.07646	0.7
183.11685	0.7
193.10175	2.4
195.08110	0.6
195.11798	0.8
196.12424	0.7
205.10086	1.2
209.09480	1.1
210.10423	0.7
210.14015	1.0
211.11159	1.8
211.14827	1.8
220.12431	0.9
221.09578	6.1
223.07468	1.0
223.11177	1.8
224.11885	1.4
225.16370	0.9
233.09651	2.4
234.10382	0.7
235.11137	1.1
235.14807	2.0
238.09859	3.1
238.13509	2.3
239.10641	3.4
248.11957	1.8
251.10709	1.5
252.11459	1.7
253.15828	5.8
263.14319	1.6
266.12903	4.9
281.15341	100.0
282.15659	2.9
299.16385	7.5
349.49637	0.6
418.43668	0.6
519.52448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.6
55.91456	1.6
57.07071	23.3
65.03928	1.4
67.05494	7.8
71.04991	4.6
72.36514	1.4
74.37762	1.6
76.61429	2.4
79.05478	10.9
81.07058	9.2
83.04974	6.0
85.06536	6.1
91.05473	37.0
93.07036	13.6
95.04958	17.3
95.08604	5.6
97.06544	3.7
105.04552	1.8
105.07024	48.6
107.04948	2.4
107.08594	7.2
109.06496	6.6
115.05450	8.8
116.06229	4.4
117.07011	45.7
119.04944	3.4
119.08547	14.1
121.06511	5.0
121.10083	3.0
122.09668	1.8
123.08080	3.6
128.06210	15.6
129.07001	42.5
130.07784	9.6
131.08553	49.4
133.06500	5.4
133.10138	17.4
135.08012	3.1
141.06985	5.7
142.07773	10.2
143.08545	36.3
144.09230	2.5
145.06512	5.6
145.10107	52.4
146.10431	2.7
147.08020	6.4
147.11639	3.9
149.09633	3.8
150.40292	1.6
153.06981	2.9
154.07736	2.0
155.08548	14.4
156.09326	5.9
157.10123	22.0
158.07260	1.9
159.08086	2.5
159.11671	9.6
161.09630	13.4
161.13246	3.9
163.11238	2.7
165.06998	3.0
169.10129	4.7
170.10866	2.2
171.08023	2.7
171.11671	15.1
173.09604	100.0
173.13116	2.8
174.10123	2.3
175.11189	13.1
175.14902	1.7
180.09393	2.5
183.11754	1.7
185.09496	2.0
185.13234	24.8
187.11197	5.3
189.12759	5.4
191.10645	10.6
195.11719	7.9
198.10385	2.7
203.14288	14.5
213.12740	21.5
231.13785	37.9
249.14883	3.7
261.22092	2.4
275.16373	8.7
276.19620	2.0
333.20590	3.5
378.26300	5.6
396.27209	2.2
445.37030	1.6
462.57727	2.0
513.81079	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.4
67.05497	7.0
69.07062	8.1
69.37134	10.7
79.05501	4.1
81.07063	10.4
83.04971	32.1
85.06553	4.3
90.23106	2.1
91.05452	10.2
93.07023	10.6
95.08613	9.8
101.06001	3.6
105.07021	19.8
107.08597	10.6
109.10122	5.6
117.06994	14.7
119.08565	14.4
121.10116	4.7
130.07784	5.3
131.08530	13.8
133.10141	8.4
143.08514	2.9
145.10110	76.8
159.11658	25.7
161.13246	8.5
163.11208	2.8
173.13266	4.7
183.10121	9.9
201.16357	100.0
219.17403	7.6
231.12474	2.2
249.78174	2.4
262.73422	1.9
265.12234	9.1
279.13821	10.3
281.15329	4.5
299.16467	3.8
596.59552	2.3
597.21832	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.8
55.57641	1.7
67.05499	6.9
69.07063	3.5
74.14161	1.7
79.05495	4.5
81.07034	12.2
83.04976	27.6
85.45520	1.8
85.69705	1.9
91.05470	6.5
91.95999	2.0
93.07011	10.1
95.08591	10.9
101.06009	2.8
102.65338	2.2
105.07018	16.7
107.08596	13.0
109.10136	5.3
117.07014	10.2
119.08572	13.4
121.10114	5.6
128.17102	2.1
131.08551	17.8
133.10114	8.0
135.31892	1.8
143.08546	3.0
144.09337	3.7
145.10103	47.1
157.10109	3.7
159.11671	45.4
161.13232	10.9
173.13193	9.6
183.10184	7.9
201.11273	3.2
201.14464	4.8
201.16360	100.0
202.16672	2.2
214.50798	1.9
219.17453	4.2
220.93242	1.9
231.83849	2.2
261.18466	6.7
263.49106	1.8
335.25900	3.0
598.67975	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27123	7.0
55.05499	11.8
67.05494	13.4
79.05480	20.4
81.07049	14.9
83.04993	8.9
85.10184	9.0
91.05493	45.8
93.07047	14.0
95.04975	22.4
105.07024	60.1
107.08561	10.5
109.06493	9.0
111.35127	6.7
115.05421	9.7
117.07001	60.0
119.08581	20.1
121.10159	8.8
128.06238	20.2
129.06981	34.8
130.07765	10.0
131.08565	44.4
133.10136	18.8
134.67342	6.2
135.08092	9.2
141.06969	10.0
142.07742	7.5
143.08580	45.3
145.10075	59.7
147.08096	8.5
149.09642	7.5
155.08603	13.5
157.10158	26.0
159.11713	14.6
161.09576	8.9
165.06973	9.2
171.11780	16.0
173.09584	100.0
175.11218	10.5
175.14923	7.4
185.13290	29.5
189.12856	8.5
191.10658	14.4
203.14336	18.0
213.12651	25.3
231.13760	50.2
282.18250	6.8
309.91373	8.4
453.56125	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	597.1448
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01851	0.4
57.03436	3.7
59.04994	0.6
60.06569	0.3
68.99790	0.7
69.03064	0.6
69.03423	8.8
71.04330	0.5
75.04439	0.3
81.03416	0.9
81.91146	0.3
85.02900	7.6
87.04463	5.8
93.03442	0.4
95.96278	0.3
97.02885	7.1
99.04440	0.3
107.04985	0.4
109.02851	0.5
111.00805	0.7
113.29945	0.3
115.03925	6.0
120.41962	0.4
121.02839	1.1
123.04411	0.5
127.03888	0.6
133.04953	5.5
137.02321	3.7
138.30835	0.3
145.04938	1.1
147.01608	0.4
149.02278	0.5
153.01799	3.6
153.63263	0.3
159.78894	0.4
161.05795	0.3
163.03899	0.9
164.65526	0.3
165.01830	2.1
166.02509	0.3
173.05962	0.4
183.02849	1.0
191.03450	0.3
201.05452	1.6
203.86304	0.3
219.06581	0.5
229.04906	4.3
247.05946	0.8
257.04532	2.5
274.04712	0.8
285.03922	1.4
303.04959	100.0
304.05225	2.8
315.04944	0.8
321.62790	0.4
345.06155	0.8
417.15344	0.6
597.21625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3031
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.81389	2.1
55.05508	11.4
57.03419	8.3
62.25950	2.3
63.12909	2.0
67.05500	30.1
69.07059	16.8
69.09425	14.6
71.08640	2.3
79.05484	9.0
81.03406	9.2
81.07045	36.6
83.08598	7.7
85.02917	2.5
91.05468	6.1
93.07032	8.9
95.08606	22.8
97.10162	4.3
98.23428	4.5
98.98455	23.3
105.07021	4.6
107.08586	6.9
109.02859	6.8
109.10142	9.4
118.39857	2.1
119.01881	2.4
119.08607	5.8
121.10134	7.1
123.11698	4.0
133.10112	6.9
135.11713	2.9
142.51869	2.0
147.11697	3.1
148.11943	2.4
155.01021	3.0
161.13216	2.6
177.16269	2.4
182.89917	2.2
189.16432	3.0
249.60236	2.3
261.03683	6.6
263.23566	2.6
303.09814	8.5
317.11432	4.9
319.12903	8.6
335.07370	3.7
337.27332	100.0
338.27649	3.2
390.21802	2.1
512.69153	2.5
537.30121	2.6
556.35760	4.4
573.36157	12.7
574.36566	34.2
597.18402	2.5
597.38251	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	598.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45441	2.0
58.75803	1.9
61.02901	2.0
66.43870	2.1
69.03432	2.8
69.72218	8.8
78.97507	2.0
79.05481	4.0
81.03411	13.5
85.02890	6.3
95.04964	3.2
97.02853	3.7
98.22691	3.4
98.61192	2.2
103.05444	2.7
107.04950	9.2
115.05392	4.1
117.07018	14.4
123.04423	3.8
124.30184	2.7
131.08563	4.8
144.05766	2.4
145.04816	3.1
145.06487	31.9
155.06012	6.2
155.35112	2.3
156.05705	7.0
159.08018	5.5
161.05977	4.4
163.03929	3.4
167.07016	49.3
167.08301	3.2
173.05965	63.6
180.08572	3.9
187.07504	7.5
190.06221	34.9
191.06929	2.0
193.08609	2.4
202.06107	2.8
203.07019	10.1
205.08594	100.0
217.08589	44.5
219.10117	5.4
235.09624	27.0
247.09697	12.2
265.10617	26.0
315.08380	3.1
330.11066	8.7
351.12280	5.0
371.15134	4.7
380.29391	2.3
383.14905	9.3
401.15845	9.9
420.11539	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	598.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01855	2.5
55.05500	1.9
55.98012	0.8
57.03430	2.1
58.46642	0.7
61.02921	1.5
68.99768	1.0
69.03427	12.5
69.07063	16.5
70.49929	1.7
71.04987	2.0
73.02895	2.4
79.05479	0.9
81.03407	9.7
83.04961	3.0
83.08613	5.7
85.02899	29.3
87.00829	10.6
91.05470	1.6
93.07037	1.5
95.04897	0.9
95.08575	2.4
95.80934	0.9
97.02891	9.2
97.06513	2.7
99.04445	2.8
99.08099	1.1
105.01862	7.3
107.08611	0.9
109.02863	10.0
109.10144	3.2
111.05424	1.0
111.08102	5.1
113.09644	1.0
117.01853	1.4
123.04409	3.1
123.11666	1.2
127.03902	15.5
129.01826	1.7
129.07014	1.8
133.10083	1.4
135.07993	1.2
137.09628	0.9
143.04907	0.9
143.08533	1.8
145.04927	6.1
145.10074	0.9
149.06012	5.9
151.11111	2.1
157.06485	4.2
159.02823	3.2
159.08078	0.9
161.05963	1.5
163.03889	1.0
163.07524	2.4
163.11151	2.6
165.09093	38.7
171.08026	4.2
175.07498	4.5
177.09120	1.6
179.10649	3.0
185.09570	2.8
189.09097	5.1
191.10651	10.7
195.08075	1.2
197.09549	1.3
199.11148	6.5
203.10606	4.1
205.12227	7.5
207.10161	4.4
209.13153	1.8
211.11133	1.5
213.03975	1.1
213.12709	2.1
215.10674	2.4
217.12184	11.2
219.13736	4.1
222.10374	0.9
227.14255	1.9
229.12204	3.6
231.04973	2.4
231.13774	41.6
237.12741	6.6
241.12180	1.0
243.13817	0.9
245.15318	1.9
254.13153	1.1
255.13737	6.4
257.15378	2.6
259.16852	8.4
271.16959	7.3
273.14816	8.4
273.18460	3.7
279.17255	1.5
281.68106	0.9
287.20026	10.2
289.17963	2.8
297.18451	17.0
315.19513	100.0
316.19885	2.4
325.17780	1.4
333.20569	44.6
343.19003	9.0
440.37610	1.0
501.24765	1.3
527.22797	2.2
533.13458	1.0
545.23444	2.6
546.12299	0.9
599.33539	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
69.03420	10.9
69.83071	7.4
69.83430	7.5
81.03415	9.1
83.76313	2.8
84.32209	3.1
85.02904	20.1
87.00816	8.0
91.05478	4.2
93.92292	3.9
97.02889	6.9
104.13171	3.5
105.01861	7.7
105.06987	6.2
109.02876	8.7
109.03580	3.0
114.26486	3.5
127.03913	13.3
129.06961	4.0
145.04944	6.4
145.10121	6.4
149.05946	7.3
153.14114	3.4
159.02864	5.0
163.07532	8.9
164.32285	3.3
165.09100	14.3
173.09605	5.6
173.98102	3.0
191.10654	14.0
203.10811	3.6
205.12213	25.4
213.12788	4.1
215.10710	3.8
217.12318	6.3
219.13785	5.4
221.91856	3.3
229.12299	5.4
231.13820	10.8
235.98926	3.9
257.15283	9.1
273.14786	7.2
287.20035	4.1
297.18454	13.1
309.18726	3.3
315.19476	13.4
333.20575	100.0
395.55084	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	598.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17058	2.0
51.73639	2.3
52.01241	2.5
55.05503	6.5
57.03419	3.2
67.05497	6.6
69.23473	11.3
71.05002	2.4
79.05480	11.1
81.07061	12.3
83.04974	9.6
85.06538	5.6
91.05475	35.5
93.07038	13.2
95.04971	18.5
95.08590	6.3
95.28267	2.1
97.06570	3.8
99.93653	2.3
101.06007	6.4
103.05480	3.0
105.07021	40.7
107.04908	4.8
107.08572	7.2
109.06517	5.6
111.08085	2.3
115.05447	5.6
117.07011	46.7
119.08554	14.9
121.06477	4.4
123.08094	3.2
128.06232	11.5
129.06998	28.2
130.07791	8.1
131.08551	34.7
133.06474	3.4
133.10120	17.6
135.08018	5.8
137.09595	4.7
141.06935	3.4
142.07762	10.9
143.08536	31.1
145.06488	6.2
145.10104	56.6
145.11224	3.5
147.08038	6.2
147.11626	4.5
149.09619	5.1
153.07057	3.7
155.08592	13.8
156.09341	3.1
157.10126	23.3
159.08017	3.5
159.11684	6.9
161.09610	10.4
161.13269	3.1
163.11079	3.3
165.07045	3.6
169.10083	3.5
170.11028	3.5
171.08012	4.5
171.11685	10.0
173.09607	100.0
173.13289	3.3
175.11171	13.3
175.14764	3.9
185.13220	26.8
187.11128	4.3
189.06958	2.6
189.12750	5.2
190.54781	2.4
191.10660	15.6
195.11717	10.1
203.14281	14.9
213.12683	21.9
231.13786	39.6
237.27216	2.2
249.14868	7.4
278.51523	2.4
291.15930	3.0
379.57101	2.5
380.24359	7.2
419.38010	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68691	1.3
67.09998	1.3
68.98799	1.4
71.41014	1.8
79.64604	1.2
114.85673	1.2
145.77313	1.4
147.04419	1.6
163.03922	1.5
177.40120	1.3
403.45593	1.5
445.92746	1.6
599.17297	100.0
600.17786	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	599.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78768	1.3
65.05672	1.2
67.11800	1.3
67.51048	1.1
69.16589	9.3
70.96443	1.2
105.07004	1.5
117.03352	1.3
145.02861	4.3
163.03966	2.6
177.05466	8.0
244.09727	2.3
262.10873	2.3
358.77603	1.4
599.17310	100.0
600.17542	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	599.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32937	1.3
71.43153	1.5
71.93745	1.4
74.87682	1.6
80.77536	1.8
85.56116	1.5
89.02731	1.4
125.86747	1.6
136.60716	1.5
142.98824	1.5
163.03937	1.7
173.85930	1.5
222.86177	1.6
231.13565	4.7
247.12781	1.6
347.07391	6.6
349.08740	1.6
427.91501	1.7
537.20886	63.8
538.20856	3.0
555.21906	100.0
556.22003	2.9
599.20691	49.2
600.21082	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58310	0.3
53.20921	0.3
54.61624	0.3
67.05480	0.6
69.88280	1.2
77.98085	0.3
79.05470	0.4
81.07019	1.0
91.05465	0.8
93.07033	0.8
95.04937	0.5
95.08579	0.5
95.67734	0.3
105.06999	1.1
107.08587	0.9
109.10141	0.4
117.06991	0.4
119.08580	0.8
121.10107	1.0
123.08150	0.4
131.08549	0.6
133.10069	0.4
142.07788	0.3
142.57153	0.4
143.08578	1.2
144.09326	0.3
145.10104	0.9
147.08017	0.4
154.46278	0.3
155.08517	0.3
157.10118	0.9
159.11676	0.4
161.09694	0.3
169.10153	0.4
171.11714	0.6
183.11665	0.4
189.12932	0.3
203.14336	0.4
221.15337	1.3
233.15280	0.6
281.19141	0.4
301.08307	100.0
302.08673	4.2
304.06870	0.5
312.57697	0.4
319.09317	0.5
321.14566	14.2
322.14920	0.3
335.64548	0.4
342.10785	1.6
362.17410	0.5
385.24637	0.3
507.34625	2.1
599.20325	4.6
599.41064	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33887	2.0
57.07066	3.3
68.73473	2.5
71.44283	2.7
73.29701	2.1
78.39666	2.3
89.06021	3.1
97.34031	2.2
107.08558	2.3
121.06452	2.2
164.63713	2.1
217.72171	2.6
233.44330	2.5
270.52042	2.1
281.08600	2.3
281.11609	4.8
293.93741	2.1
301.08298	99.2
302.08841	4.1
305.11487	20.4
317.11444	67.3
321.14557	89.5
322.14957	3.2
342.10977	3.1
358.14490	3.4
362.17120	2.5
406.75516	2.3
420.22760	3.0
442.91156	2.5
599.24097	100.0
599.34735	4.2
600.24573	6.7
605.54590	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	599.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.2
57.07072	5.4
57.60252	1.1
59.04992	1.7
59.82277	1.0
61.39782	1.0
65.03951	1.2
67.05504	6.7
69.03421	7.0
69.07056	3.4
69.29485	5.6
79.05502	6.6
81.03422	1.1
81.07050	10.9
83.04984	3.3
83.08599	1.4
85.06538	4.2
91.05473	14.8
93.07032	19.7
95.04967	7.9
95.08603	12.5
97.06535	3.5
98.23382	1.7
103.05495	1.1
104.10745	4.2
105.04589	0.9
105.07025	20.4
107.08587	15.7
109.06548	6.4
109.10155	5.6
111.08064	1.7
115.05466	2.1
117.06979	5.2
119.08574	22.3
121.06459	5.7
121.10136	15.6
123.08054	10.6
125.06030	3.6
128.06262	4.4
129.06999	5.1
130.07788	2.2
131.08571	8.7
133.06444	1.2
133.10121	11.7
135.08060	9.5
135.11693	3.6
137.06003	2.2
137.09607	11.3
138.59282	1.1
139.07451	1.3
141.07011	2.7
142.07780	7.1
143.08553	10.2
144.09335	2.3
145.10097	16.1
146.96027	1.0
147.08040	20.7
147.11708	4.2
149.09610	5.1
151.07521	9.5
153.07106	1.2
155.08601	5.0
156.09346	4.6
156.90337	1.1
157.10118	16.6
159.08080	4.1
159.11679	10.8
161.09631	6.4
161.13217	5.7
163.11194	7.4
165.09103	46.5
166.42194	1.1
167.08508	1.2
168.09409	1.9
169.10139	8.6
170.10901	3.0
171.08192	1.1
171.11673	10.4
173.09669	4.6
173.13287	4.1
175.07541	1.4
175.11192	2.9
175.14806	2.2
177.09149	1.6
179.08546	2.2
179.10715	1.3
180.09378	1.1
181.10120	4.2
181.12234	6.9
182.10916	1.8
183.11697	11.2
185.09688	1.6
185.13216	5.4
187.11218	3.0
187.14795	1.8
189.12801	4.3
191.10735	3.6
191.14360	1.3
193.10133	1.7
194.10883	1.9
195.11717	5.0
195.13618	1.4
196.12532	2.1
197.13235	6.4
199.11200	3.1
199.14838	1.6
201.12715	2.5
203.14301	15.9
205.10268	1.2
207.11746	3.7
207.13837	7.2
208.12642	1.2
209.13232	5.1
209.15096	1.9
210.14081	1.6
211.11229	1.5
211.14856	4.8
213.12761	2.3
215.14331	1.9
221.13342	4.0
221.15344	100.0
222.15701	2.9
223.14804	3.1
225.12704	1.4
225.16415	2.2
227.14287	2.0
229.16002	1.2
232.12305	1.1
233.13229	1.8
233.15396	3.1
235.14819	1.5
237.16370	1.4
241.15941	1.3
247.14644	2.4
247.16922	13.6
248.34358	1.2
249.16350	1.4
251.14445	1.2
259.74078	1.6
261.18704	2.1
263.17969	1.4
265.15872	1.5
281.19031	1.7
287.20142	8.7
299.20239	4.9
301.21609	2.3
311.20172	1.5
313.21701	2.9
325.21646	2.8
357.71417	1.5
365.24826	4.7
391.26270	8.5
419.29333	2.0
427.28442	4.4
453.30173	1.3
507.34726	20.1
508.35117	1.8
519.34735	3.1
581.39496	2.2
599.15924	1.5
599.40942	52.3
600.41443	2.0
625.08136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.05513	9.5
57.07063	7.8
59.04990	4.4
65.49936	1.9
67.05499	14.1
68.23421	1.5
69.03425	11.7
69.07073	11.2
69.16752	11.6
69.60414	1.9
71.04954	1.6
79.05483	18.3
81.07048	22.0
83.04966	12.7
83.08606	6.9
85.06528	8.0
87.04469	3.0
91.05467	26.8
93.07036	35.4
95.04958	20.1
95.08593	19.2
97.06538	8.0
103.05453	4.2
105.07021	53.4
107.04868	1.7
107.08582	40.8
109.06508	13.1
109.10162	12.3
111.08041	2.9
112.18687	1.6
115.05479	3.0
116.06240	1.9
116.72360	1.6
117.06956	9.9
119.04858	3.0
119.08569	45.7
121.06498	10.0
121.10138	42.1
123.08064	15.8
123.11697	2.4
125.05980	2.7
125.09633	7.4
128.06169	8.9
129.06992	12.8
130.07776	4.9
131.08546	28.3
133.06474	5.7
133.10120	26.6
135.08054	20.1
135.11681	7.7
137.09598	9.5
137.13278	1.8
139.07535	2.1
139.11142	2.8
141.07001	7.5
142.07739	16.4
143.08548	32.6
144.09361	7.8
145.06494	3.5
145.10114	33.5
147.08003	20.0
147.11642	8.2
149.09601	17.0
149.13243	2.0
151.07498	11.6
151.11223	1.8
153.06993	4.3
153.09068	3.4
154.07744	2.0
155.08510	12.7
156.09312	14.7
157.10095	30.6
158.10881	4.6
159.08038	15.6
159.11681	23.2
160.08835	2.6
161.09593	12.8
161.13246	6.6
163.07509	2.0
163.11179	10.7
165.07019	4.1
165.09090	25.9
166.07832	3.5
167.08542	8.6
167.10663	16.3
168.09363	4.6
169.10100	22.9
170.10896	4.4
171.08028	2.7
171.11670	19.9
172.08768	1.8
173.09669	7.1
173.13284	12.3
175.11192	7.5
175.14839	4.0
177.09146	3.8
177.12781	2.2
178.07727	2.0
179.08472	4.5
180.09325	3.4
181.10100	15.6
181.12256	4.2
182.10912	7.5
182.36571	1.8
183.11708	19.1
184.12341	3.8
185.09596	5.7
185.13263	12.5
187.11220	6.0
187.14879	3.1
189.12703	11.9
190.13591	2.1
191.10651	2.8
191.14308	4.0
192.09337	2.3
193.10150	8.4
193.12224	2.2
194.10890	7.4
195.11687	11.7
195.13522	2.9
196.08746	2.1
196.12573	3.6
197.09550	3.4
197.13278	13.8
199.11172	5.1
199.14854	8.1
201.12740	4.3
203.14305	10.8
205.10190	2.5
206.10925	6.1
207.11720	11.4
207.13832	15.2
208.12508	5.7
209.13275	15.6
209.15411	5.1
210.14041	2.1
211.11292	3.6
211.14839	7.8
213.12683	3.6
215.14334	4.9
217.10194	4.2
217.12192	3.0
218.10831	2.2
219.11723	3.7
220.12457	1.9
221.13229	8.8
221.15291	50.8
221.17433	3.1
222.14053	2.2
223.11319	2.5
223.14854	10.3
225.12753	5.4
225.16324	5.0
225.50087	2.0
227.14421	2.7
229.12238	2.5
231.11760	4.0
231.13815	4.2
232.12343	2.3
233.13162	6.7
233.15384	34.4
234.13980	2.7
235.14848	6.2
237.12715	2.9
237.14706	4.2
237.16682	2.5
239.18134	2.3
241.16011	2.3
243.11752	2.1
245.13231	4.2
247.14801	5.4
247.17020	4.4
249.16423	3.2
251.14227	2.9
253.15805	2.8
255.17212	2.1
258.14053	3.0
259.14749	4.1
259.17197	2.3
261.18689	2.6
265.15961	2.4
269.18976	3.6
273.16183	2.4
281.18988	11.4
282.33041	2.2
285.18729	2.1
286.19244	2.7
287.20120	2.9
295.20654	2.4
299.20349	3.7
311.20166	2.9
312.20822	4.3
333.21567	2.2
349.21619	2.7
364.23935	2.7
365.24481	2.4
373.25192	6.0
377.24652	3.1
391.26151	3.3
415.28452	2.7
441.29956	3.4
489.33652	5.6
507.27100	4.1
507.34668	85.9
508.34982	3.3
581.39514	4.7
599.40863	100.0
600.41156	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	599.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66650	0.9
55.05500	4.0
57.07065	5.4
59.04992	2.7
61.53115	0.9
64.08397	1.1
65.03936	1.7
67.05498	9.6
69.03417	8.0
69.07051	3.2
69.50673	1.2
70.67021	1.2
77.03930	1.2
79.05473	7.5
81.03390	1.4
81.07046	13.1
83.04963	3.9
85.06541	3.1
91.05461	14.5
93.07035	22.4
95.04948	6.4
95.08597	12.3
97.06520	2.3
101.54552	1.1
104.89886	1.1
105.07011	23.0
107.04960	1.2
107.08592	13.9
109.06495	5.3
109.10143	6.7
111.08061	1.2
115.05414	1.6
117.07027	5.7
119.08573	27.0
121.06499	3.8
121.10140	11.4
123.08042	11.7
125.05980	2.6
128.06190	2.3
129.06984	5.4
130.07759	1.9
131.08549	12.4
133.06476	2.2
133.10112	15.0
135.08043	13.0
135.11690	4.5
137.09601	14.0
141.06996	3.1
142.07787	5.0
143.08508	10.3
144.09334	2.3
145.10118	18.2
147.08026	22.7
147.09143	1.6
147.11671	4.0
149.09627	4.5
151.07526	9.1
153.06981	2.0
154.07779	1.1
155.08556	4.6
156.09312	5.0
157.10107	17.5
158.10950	1.4
159.08058	2.9
159.11673	11.7
161.09572	6.0
161.13228	5.6
163.11163	8.9
165.09100	53.5
167.08566	3.3
168.09418	2.0
169.10083	7.9
170.10895	4.6
170.53217	1.3
171.11661	10.4
173.09631	4.9
173.13286	3.4
175.11220	2.8
175.14812	2.6
177.09082	2.0
179.08499	2.5
180.09372	2.4
181.10104	4.6
181.12190	6.7
182.10881	2.6
183.11636	10.5
185.09688	1.4
185.13257	8.4
187.11246	2.8
187.14830	2.4
188.11855	1.2
189.12770	4.5
191.10695	3.0
191.14311	1.9
192.09344	1.1
192.11369	1.1
193.10254	2.8
194.11002	2.0
195.11749	4.2
196.12514	2.5
197.13280	6.1
199.11253	2.9
199.14763	1.3
201.12788	2.3
203.14297	20.3
203.16048	2.0
207.11890	2.0
207.13814	6.6
208.12405	1.4
209.09734	1.2
209.13245	4.5
209.15213	1.8
211.11278	1.6
211.14833	6.0
213.12721	2.5
215.14366	2.3
221.13344	3.8
221.15331	100.0
222.15712	1.7
223.14833	3.4
229.15996	1.6
233.13278	1.9
235.16840	1.1
237.12822	1.3
239.14294	1.6
239.17880	1.7
241.16129	1.0
247.14658	2.1
247.16948	16.5
253.15657	1.2
269.19131	2.0
273.16190	1.4
281.18796	1.8
286.19388	1.9
287.20068	7.3
299.20132	5.0
311.19992	2.2
327.23138	2.3
365.24872	4.6
369.05145	1.1
370.09244	1.2
391.26114	10.6
413.26883	1.4
419.29541	3.4
427.28302	6.2
507.34802	6.5
519.34644	2.4
563.39319	1.3
581.39899	2.8
599.12030	1.5
599.40833	50.9
600.41321	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	599.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.7
53.03940	1.1
53.43477	0.7
55.01857	1.0
55.05504	4.7
57.03439	0.9
57.07064	6.1
57.71479	0.7
59.04994	2.8
60.20680	0.6
65.03921	0.9
66.38779	0.7
67.05492	6.3
69.03415	7.6
69.07063	4.0
69.22882	4.0
77.03905	0.9
79.05476	7.6
79.31575	0.7
81.07045	9.1
81.22853	0.7
81.64499	0.7
83.04951	3.8
83.08611	1.1
85.06537	3.1
91.05471	15.4
93.07033	19.6
95.04961	6.2
95.08603	12.2
97.06543	3.9
98.23418	1.7
101.48802	0.8
103.05482	1.0
105.04494	0.8
105.07018	23.8
107.04937	1.5
107.08575	14.4
107.09251	1.1
109.06492	5.6
109.10148	5.4
111.08060	1.4
115.05423	1.7
117.07019	5.5
119.08568	25.3
121.06490	3.8
121.10122	11.4
123.08066	12.1
125.06008	3.4
128.06233	4.0
129.06992	4.4
130.07787	2.3
131.08554	10.0
133.06487	1.9
133.10107	12.9
135.08031	11.6
135.11690	3.2
137.06041	1.3
137.09593	11.8
139.07527	2.4
141.07001	1.2
142.07762	6.0
143.08554	9.5
144.09337	1.4
145.10107	16.8
147.08029	26.3
147.09149	1.6
147.11691	3.0
149.09583	4.3
151.07523	8.7
153.07037	0.9
153.09122	1.1
154.07764	0.8
155.08522	5.9
156.09285	4.5
157.10110	16.4
157.30252	0.8
158.10909	1.4
159.08064	2.7
159.11682	8.5
161.09567	4.6
161.13223	4.2
163.11150	8.4
165.07031	1.7
165.09100	49.9
166.07796	0.9
167.08597	2.0
167.10649	0.9
168.09341	3.5
169.10094	6.6
170.10957	3.5
171.08112	1.2
171.11665	7.9
173.09624	5.0
173.13272	4.3
175.11205	3.4
175.14891	2.4
177.09126	2.0
177.12749	1.0
179.08568	2.1
180.09261	0.9
181.10117	3.9
181.12189	6.8
182.10922	2.7
183.08125	0.9
183.11678	11.0
185.09688	0.9
185.13242	6.4
187.11214	3.9
187.14708	1.7
189.12698	4.1
191.08810	0.7
191.10681	3.1
191.14319	1.8
192.09431	1.1
193.10193	2.4
194.10983	1.7
195.11740	3.9
195.13690	0.9
196.12512	2.7
197.09618	1.8
197.13254	4.7
199.11150	2.3
199.14880	1.9
201.12608	1.1
203.14282	19.1
207.11754	2.6
207.13840	6.4
208.12520	1.1
209.09756	1.0
209.13274	4.1
209.15062	1.1
211.14809	5.6
213.12787	2.7
215.14310	1.4
219.11618	1.5
221.15329	100.0
222.13921	0.8
223.11224	0.9
223.14862	2.1
225.12672	1.9
225.16330	1.7
227.14316	1.2
229.12198	1.2
229.15901	1.4
231.13782	1.0
233.13293	1.5
233.15395	1.8
234.09776	0.7
235.14807	1.7
237.12827	1.4
237.16336	1.6
239.14297	1.2
243.13744	1.1
244.12250	0.8
247.14806	1.2
247.16933	15.1
247.19295	1.3
249.16432	1.2
253.15871	1.3
261.18634	1.2
269.19019	1.2
271.17075	1.1
273.16232	0.9
281.18982	1.9
286.19547	0.9
287.20038	6.4
299.20013	6.7
301.21667	1.6
311.19977	1.5
313.21625	2.7
325.21628	1.5
327.23465	1.2
347.23721	0.9
365.24576	4.5
391.26340	8.7
413.27130	1.5
419.29321	2.6
427.28345	5.8
453.30203	1.3
507.34705	7.7
519.34607	2.6
576.36139	0.9
581.40485	1.8
599.40924	46.4
600.41345	1.0
628.22552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64690	1.6
53.03938	2.3
55.05510	10.3
57.07071	9.5
59.04990	3.5
65.03930	3.3
67.05504	14.5
69.03429	8.5
69.07056	7.4
69.68513	4.5
71.05000	2.1
77.03938	1.8
79.05489	17.0
81.07050	20.3
83.04980	9.9
83.08626	4.8
83.51794	1.3
85.06548	4.6
88.00510	1.6
91.05474	22.0
93.07041	29.9
95.03691	1.6
95.04964	11.4
95.08601	16.3
97.06539	7.0
105.04523	1.9
105.07027	43.3
107.04962	2.6
107.08581	29.2
107.09242	2.1
109.06529	10.4
109.10149	11.3
111.08073	2.5
115.05497	2.3
116.06243	1.7
117.07005	11.0
119.08577	35.3
119.09424	2.4
121.06488	8.6
121.10136	33.6
123.08046	13.6
123.11722	5.1
125.05991	3.0
125.09644	5.5
128.06245	6.7
129.06995	10.8
130.07790	3.8
131.08565	24.2
133.06485	4.7
133.10135	21.8
135.08040	12.1
135.11708	8.1
137.05988	1.6
137.09625	8.0
139.11234	2.4
141.06979	7.4
142.07768	12.5
143.08557	25.1
144.09354	5.1
145.06480	1.7
145.10114	29.5
147.08055	17.8
147.11714	6.5
149.09601	17.3
151.07542	14.7
151.11110	1.6
153.07114	1.6
154.07727	2.1
155.08546	10.2
156.09341	12.6
157.10118	24.6
158.10899	4.2
159.08078	10.8
159.11630	15.5
161.09612	11.4
161.13324	5.1
163.11168	7.7
165.07011	3.1
165.09105	24.5
167.08607	5.3
167.10675	15.7
168.09398	4.6
169.10120	17.7
170.10962	4.6
171.08037	2.6
171.11671	19.6
172.12450	1.8
173.09601	7.7
173.13240	12.5
174.10376	3.1
175.11217	7.3
175.14876	2.5
177.09166	2.7
179.08563	5.7
179.10666	2.1
180.09337	4.2
181.10150	9.1
181.12160	4.2
182.10919	4.7
183.11688	15.2
184.12497	2.2
185.09605	4.5
185.13200	8.9
187.11220	4.9
187.14760	2.8
189.09129	1.6
189.12721	8.7
191.10602	2.1
191.14326	5.0
192.09302	2.1
193.10085	8.5
194.10950	5.1
195.11676	13.7
196.12538	2.0
197.13213	11.5
199.11290	7.5
199.14911	3.6
201.12746	3.4
203.14291	7.8
205.10126	3.5
206.10950	3.2
207.11740	11.0
207.13849	11.5
208.12448	2.9
209.09491	1.9
209.13278	10.4
209.15405	4.9
211.11214	4.4
211.14886	6.7
213.12794	2.9
215.14287	3.7
217.15919	2.9
219.11751	3.2
220.12593	2.7
221.13286	8.6
221.15311	45.0
221.17419	3.0
223.14822	6.7
225.12801	5.3
225.16357	3.9
227.14276	3.2
229.12250	2.4
229.15913	2.9
232.12387	2.5
233.13235	6.1
233.15320	33.7
233.17598	2.2
235.14845	5.2
237.12834	2.4
237.16571	3.2
241.15875	2.4
245.13353	2.3
246.14124	2.0
247.14850	3.7
247.17026	4.2
249.16243	2.5
251.14180	2.0
257.13342	2.2
259.14880	3.7
259.95758	1.8
261.16318	2.4
263.18030	2.1
269.19073	3.3
273.18643	2.7
275.17831	1.7
275.20438	1.7
281.18991	10.2
286.19263	3.6
287.20258	3.6
289.19540	3.5
293.18954	2.4
299.20233	5.6
307.20490	3.2
349.21814	2.5
364.24298	3.4
365.24738	3.1
373.25146	3.2
391.26462	2.6
441.29758	4.0
489.33820	3.6
493.32925	2.5
507.34674	85.7
508.35120	3.7
581.40021	5.0
599.40906	100.0
600.41388	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	600.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83111	1.3
61.09649	1.6
67.88264	1.7
71.60780	1.5
76.60554	1.6
81.03393	4.8
85.02898	1.8
86.09690	1.5
89.03907	7.1
91.05473	11.0
97.02911	2.0
103.87567	1.4
117.03370	14.8
119.04935	19.9
126.01069	2.2
127.03878	2.0
137.05925	3.1
145.02844	48.7
145.22520	1.5
147.04398	20.4
149.05984	6.7
159.07986	4.2
163.03899	4.3
167.07060	6.0
175.03899	30.0
175.07382	1.7
177.05463	100.0
179.07048	3.3
181.04991	2.1
187.07449	2.4
195.06657	1.6
207.06506	67.9
240.21840	2.0
249.07613	3.0
249.11118	17.7
279.08609	4.6
311.08136	1.7
321.09760	5.7
339.10654	9.4
351.10742	3.1
369.11862	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	600.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05790	1.3
54.36298	1.3
55.05509	2.9
56.09356	1.4
67.05507	8.7
69.07068	3.6
73.01160	1.3
74.00687	3.0
75.15659	1.5
76.02245	2.4
76.04002	1.5
79.05086	1.4
79.05477	7.3
81.07055	17.3
83.06094	1.4
83.08632	1.6
84.04502	6.0
86.00647	1.7
91.05481	5.1
93.07047	7.0
95.04955	2.7
95.08595	11.6
99.01424	3.9
100.02208	6.3
105.07020	6.8
107.04887	1.6
107.08582	4.6
107.24771	1.5
108.08097	1.7
109.06540	4.0
109.10154	2.8
112.02176	8.8
113.03016	2.0
113.04214	1.8
114.03765	5.2
116.01653	2.4
117.06979	2.0
119.08581	5.9
121.05619	1.4
121.06516	2.1
121.10110	2.3
126.03732	3.3
131.08577	4.2
133.10120	2.9
135.11662	2.2
138.03770	2.7
140.05296	6.1
140.93454	1.3
144.01170	1.8
145.10104	4.5
147.11662	3.5
149.09714	2.1
149.13260	2.8
152.05290	2.7
153.00586	1.4
163.11081	2.4
168.08411	15.5
172.92999	1.6
173.13274	1.5
179.04825	1.4
181.06052	1.6
185.03757	2.3
202.04057	1.9
209.15465	2.0
216.05531	2.0
231.04407	4.1
255.07938	1.5
264.14218	4.7
270.10330	6.1
271.11154	1.7
275.19907	9.3
281.14352	1.6
282.15201	32.5
333.18701	3.8
350.21429	11.1
368.22455	11.7
384.17111	14.2
385.18085	2.4
453.24118	100.0
454.24445	5.8
511.65930	1.7
525.26385	4.9
532.70892	1.7
600.29413	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	600.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24023	3.1
53.03939	14.6
55.01859	11.0
57.03448	7.6
57.96778	3.8
61.02914	7.8
65.03896	4.3
66.31305	3.4
67.05492	5.7
69.03425	32.9
70.22678	8.6
71.04980	7.9
73.02906	11.5
73.12943	3.6
76.36604	3.4
78.96976	3.3
79.05475	4.6
81.03412	45.3
81.07059	6.4
85.02899	100.0
86.89035	3.6
87.00819	50.3
95.04944	12.3
95.08610	23.4
97.02888	57.6
99.04445	13.7
105.01862	38.1
105.07016	10.8
107.08578	7.5
109.02880	52.9
109.10152	10.9
117.01814	9.3
119.08595	11.6
121.10154	11.0
127.03085	3.1
127.03905	91.4
129.01834	5.6
131.08549	4.7
133.10162	9.0
135.11699	5.1
145.04919	27.8
145.10066	8.6
147.02869	6.4
147.11678	15.1
149.13225	7.4
157.10133	7.2
159.02892	19.4
159.11690	10.0
161.13300	7.1
164.17285	4.0
173.13216	23.3
185.13312	5.0
187.14841	9.2
189.16460	7.2
193.12334	6.1
213.03912	6.5
219.13757	4.6
231.04915	18.7
241.19621	4.7
243.21048	16.9
253.19435	11.7
271.20520	25.8
273.71365	5.2
289.21597	32.7
299.20062	10.3
317.20984	17.1
319.09964	3.8
335.22061	7.3
346.21793	4.1
501.24457	6.0
519.25977	18.4
547.25653	4.4
565.26355	23.5
609.74561	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	600.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00371	2.3
55.05486	5.0
56.56941	2.4
58.75636	2.4
58.97252	2.6
67.05502	7.9
69.07043	3.5
71.04984	4.9
79.05475	16.9
81.03420	3.2
81.07059	10.7
83.04976	13.8
83.08633	2.8
86.03322	2.5
91.05466	44.8
92.05828	2.8
93.07027	14.6
95.04963	20.4
95.08595	11.5
105.07024	70.7
107.04861	3.3
107.08561	10.6
109.06539	7.4
111.08080	2.5
115.05460	12.2
116.06226	3.2
117.07005	64.1
119.08561	26.1
121.06484	8.6
121.10151	4.9
122.74776	3.1
123.08009	4.1
128.06219	15.4
129.06996	43.8
130.07817	12.9
131.08545	42.0
133.06477	6.5
133.10103	26.2
135.11771	2.5
141.07010	5.1
142.07788	11.2
143.08536	46.3
144.09349	3.9
145.06497	7.0
145.08983	4.1
145.10117	72.4
147.08041	7.8
147.11681	4.7
149.09601	5.2
155.08549	16.2
156.09383	4.5
157.10104	24.7
158.07146	3.3
159.08066	4.8
159.11684	12.1
161.09630	16.4
161.13246	4.5
163.11105	4.0
165.06958	4.5
169.10115	6.2
170.10831	2.8
171.07993	3.5
171.11697	15.8
173.09615	100.0
175.11122	15.9
180.09302	3.6
185.13280	25.3
187.11211	3.5
189.12787	5.3
191.10648	16.8
195.11687	4.1
203.14262	17.9
213.12724	24.1
231.13774	37.0
233.11763	9.3
249.14822	4.4
322.20135	5.4
389.96280	2.6
572.12140	3.0
600.33527	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	16.0
67.05495	27.5
69.07085	15.4
79.05503	19.4
81.07052	43.8
83.04944	17.2
89.06020	13.7
90.96825	11.5
91.05474	40.0
93.07038	52.8
95.04975	14.3
95.08613	41.1
104.17805	11.8
105.07021	72.9
107.08612	37.2
109.06552	24.7
109.10180	18.1
113.12902	10.2
117.06924	13.3
119.08593	83.6
121.10153	40.5
123.08054	38.7
125.05984	16.8
129.07001	15.9
131.08540	53.0
133.10139	38.8
137.09598	13.7
143.08546	41.8
144.09293	14.8
145.10121	57.3
147.08055	32.7
151.07536	24.8
157.10124	60.4
159.08083	23.7
159.11694	40.9
160.12424	10.8
161.09621	15.7
163.11169	22.2
165.09120	73.0
169.10115	22.5
171.11659	25.7
173.13287	12.8
175.11217	35.3
181.12218	30.2
182.10831	14.8
183.11757	18.8
184.12267	12.9
185.09492	12.3
185.13245	16.6
187.11305	10.4
189.09052	13.0
189.12743	20.6
193.12056	22.1
195.11774	19.8
195.54192	10.5
196.12428	10.5
197.13203	23.9
203.14351	42.0
207.11731	17.6
207.13797	12.3
209.13425	14.1
221.15308	100.0
229.15874	11.7
234.16119	22.9
247.16959	33.0
263.17892	13.6
299.20108	23.9
303.22696	11.4
325.21396	12.7
340.24081	11.5
352.23959	42.4
371.25577	12.9
387.25015	12.7
440.29001	32.8
520.35370	40.9
600.40942	20.1
600.55768	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12813	13.3
67.05502	34.5
69.07061	14.3
79.05476	23.0
81.07037	46.2
83.04972	14.3
83.08607	16.3
89.06026	40.8
91.05470	63.1
93.07050	62.5
95.04977	15.1
95.08585	32.4
99.77308	11.4
105.07019	100.0
107.08604	39.1
109.06500	12.4
109.10125	11.4
117.07002	36.8
119.07845	12.2
119.08553	70.2
121.10143	28.4
123.08056	23.3
127.21574	13.3
127.92902	14.6
128.06262	18.2
129.06982	24.7
130.07814	14.0
131.08548	44.8
133.08627	28.4
133.10150	23.9
141.06882	17.2
142.07803	38.2
143.08553	45.0
145.10106	50.5
147.08118	15.4
147.11597	12.8
155.08586	18.4
155.10541	11.5
156.09366	28.6
157.10164	70.0
159.11679	36.7
165.06955	20.6
167.08534	15.0
169.10158	29.5
171.11760	23.9
179.08473	17.7
181.10080	21.9
183.11646	16.8
185.09544	11.5
185.13321	28.4
195.11595	19.1
197.13239	17.4
199.11165	13.4
207.11691	15.5
208.12564	15.1
209.13165	22.6
211.14758	16.1
221.15404	22.5
223.14723	13.2
233.15297	14.0
244.75403	13.6
247.21852	12.4
255.17471	28.2
600.24097	36.7
601.24817	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	20.3
58.99921	10.8
67.05524	16.7
69.29852	29.7
69.30279	50.8
71.83807	11.4
79.05479	25.9
81.07044	40.9
85.06554	11.5
89.06023	29.5
91.05473	39.2
93.07039	42.7
95.04973	18.4
95.08598	29.0
97.06516	14.9
98.23446	23.1
105.07043	64.5
107.08605	38.9
109.06489	16.4
109.10152	29.3
119.08565	67.5
121.06483	13.3
121.10146	50.3
123.08062	18.5
131.08575	26.2
133.10118	35.5
135.08022	22.4
137.09628	19.5
142.07784	26.5
143.08562	25.6
145.10081	40.4
147.08018	38.7
147.11623	19.4
149.09451	12.4
155.08543	18.0
157.10139	54.4
159.08064	19.4
159.11653	36.1
161.09601	22.1
163.11171	30.5
165.09123	40.7
170.25970	12.5
171.11629	19.4
173.13211	15.7
181.10139	14.0
183.11771	15.9
185.13246	18.0
189.12839	12.7
195.11732	17.9
203.14304	35.3
209.13239	25.4
211.14787	15.3
221.13406	19.7
221.15344	100.0
234.16170	21.8
247.16953	21.6
274.19327	14.6
299.20038	18.5
313.21585	14.9
352.23984	34.5
385.02258	12.8
419.29050	15.8
440.29221	27.9
520.35797	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	6.2
55.05510	19.8
57.07057	16.1
59.04985	5.8
67.05493	24.0
69.03427	18.3
69.07069	19.0
70.72510	6.7
71.04965	4.4
79.05477	31.4
81.07046	38.3
83.04990	20.2
83.08601	15.2
85.06529	7.7
91.05454	42.7
91.68308	3.6
93.05756	3.6
93.07037	69.9
95.04947	20.2
95.08585	46.5
97.06506	14.3
105.04491	3.6
105.07018	98.1
107.08590	73.0
109.06483	24.9
109.10139	29.2
111.08064	11.0
115.05468	8.4
117.07012	22.9
119.08568	86.8
120.09322	4.4
121.06529	19.9
121.10128	56.8
123.08037	46.1
123.11703	6.5
125.05994	7.6
125.09621	12.7
128.06198	20.0
129.06979	28.7
130.07745	6.1
131.08553	54.7
133.06454	14.4
133.10110	57.4
135.08025	35.5
135.11728	18.7
136.08861	4.1
137.09578	15.8
139.07545	4.4
141.06966	10.5
142.07790	24.5
143.08557	64.0
144.09285	14.3
145.06438	8.6
145.10110	82.7
146.10858	4.8
147.08020	44.8
147.11714	21.6
149.09599	27.1
151.07535	25.2
155.08527	22.8
156.09314	15.4
157.10120	95.7
158.10834	15.1
159.08032	19.8
159.11662	49.6
160.08832	4.5
161.09613	29.9
161.13223	19.5
163.11136	15.7
165.06990	7.2
165.09077	63.9
165.12691	3.9
167.08542	14.6
167.10645	16.8
168.09404	4.0
169.10086	28.6
170.10883	19.6
171.08083	4.7
171.11668	50.0
172.12486	11.5
173.09599	19.2
173.13225	26.2
175.11188	33.2
175.14790	7.2
177.12715	7.8
179.08575	7.8
179.10648	5.3
180.09256	8.0
181.10107	18.8
181.12164	11.6
182.10912	10.9
183.11685	39.3
184.12370	7.4
185.09550	9.3
185.13228	27.4
186.13953	5.1
187.11172	13.5
187.14734	9.0
188.11873	4.9
189.12714	23.4
190.13490	14.5
191.10599	5.9
191.14275	8.1
192.09358	4.2
193.10121	20.0
193.12222	13.0
194.10831	6.9
195.11652	38.0
196.12431	14.0
197.09622	7.4
197.13226	39.8
198.10281	4.0
199.11122	15.8
199.14792	14.7
201.12733	17.9
203.10651	4.4
203.14305	42.4
205.10197	4.8
207.11682	17.8
207.13811	15.6
208.12450	9.6
208.14537	10.3
209.13248	33.5
209.15073	7.0
210.13910	8.9
211.11147	11.5
211.14752	23.0
212.12070	7.2
213.12755	10.4
213.16234	6.7
214.13368	4.1
215.14297	13.1
217.15747	4.7
219.11794	8.1
219.13803	12.8
220.12524	8.1
221.13237	22.0
221.15346	82.4
222.13831	4.8
223.11133	8.2
223.14748	23.1
224.15492	5.3
225.12766	11.8
225.16304	13.3
227.14323	5.6
232.12320	5.0
233.13136	11.3
233.15274	37.9
234.13905	6.6
234.16061	13.7
235.14752	12.7
235.16879	4.9
236.15672	5.1
237.12630	8.6
237.14430	23.3
237.16838	5.6
239.17941	4.7
240.14751	4.2
241.15773	8.4
243.13684	5.0
246.14029	7.2
247.14806	9.5
247.16939	10.2
248.13887	10.2
249.16338	9.5
251.13885	3.9
253.15779	7.8
255.17387	40.2
259.14566	5.6
261.16324	11.9
263.14258	4.6
263.17981	7.2
267.17444	7.4
269.19000	6.2
270.19778	5.1
271.17102	9.4
273.16068	5.2
273.18686	6.8
274.19235	14.2
275.18036	4.9
279.17300	6.2
281.18979	8.8
283.16925	4.9
285.18536	7.7
286.19260	13.4
287.20044	5.5
295.20599	5.9
297.18430	6.9
299.19968	15.2
303.19492	54.0
309.18445	4.2
311.19934	5.9
312.20764	7.4
313.21518	13.0
325.21552	19.0
337.21411	11.2
347.23468	7.2
352.23935	100.0
353.24133	4.9
365.24838	28.5
377.24615	5.8
383.25809	7.0
397.91147	4.3
420.29858	5.6
487.31497	5.8
502.33948	12.0
503.35089	8.8
505.32608	8.4
507.34433	11.8
508.34933	7.3
520.35370	43.2
582.40759	4.7
600.41449	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00523	3.2
53.03934	8.2
55.05506	21.9
57.07066	5.5
65.03936	5.7
67.05495	31.9
69.03418	12.7
69.07069	20.0
69.21902	6.2
69.22312	12.4
71.04986	7.2
77.03915	5.7
77.33015	3.8
79.05482	36.6
80.00249	3.4
81.07049	45.8
83.04970	23.3
83.08612	12.7
85.06548	7.8
87.04472	5.9
89.06027	6.8
91.05466	70.5
93.07036	74.6
95.04954	26.7
95.08599	32.9
96.36253	3.8
97.06531	15.1
103.05484	8.0
105.04491	6.3
105.07018	100.0
107.08575	72.5
109.06525	22.8
109.10151	28.9
111.08100	6.5
113.09612	6.9
115.05403	7.5
116.06241	4.2
117.07008	20.9
119.08564	92.3
121.06511	16.4
121.10142	63.0
123.08065	32.2
123.11649	9.3
124.65625	4.1
125.09612	12.2
128.06183	20.9
129.06998	27.7
130.07782	12.3
131.08553	49.1
132.09352	4.9
133.06538	6.4
133.08603	5.9
133.10126	48.7
135.07982	17.6
135.11681	14.6
137.09612	11.2
139.11137	5.5
141.06961	11.7
142.07787	33.9
143.08540	57.6
144.09328	17.1
145.06467	8.4
145.10106	81.9
146.10909	4.6
147.08022	13.8
147.11665	21.7
149.09587	16.3
149.13121	4.0
151.07494	6.0
153.06984	6.1
155.08563	24.1
155.10619	9.8
156.09329	27.1
157.10097	74.5
158.10861	11.6
159.08083	23.3
159.11659	49.8
160.08830	5.4
161.09622	13.9
161.13196	6.0
163.11176	11.8
165.06941	8.7
165.09093	5.6
166.07753	6.0
166.24474	3.7
167.08568	14.9
167.10646	27.4
168.09312	10.0
169.10094	39.1
170.10889	13.3
171.11678	44.8
172.12448	6.9
173.09616	9.6
173.13225	26.1
175.11179	16.5
175.14847	7.7
178.07785	4.7
179.08545	13.4
180.09395	12.0
181.10150	25.4
181.11963	4.6
182.10886	13.4
182.24658	3.4
183.11673	34.8
184.12393	4.3
185.09583	7.7
185.13268	26.7
186.13977	5.2
187.11206	7.4
187.14772	12.2
189.12701	8.9
191.14285	5.9
192.09351	7.4
193.10085	21.4
194.10884	10.2
195.11678	29.2
196.12401	11.1
197.09561	5.3
197.13248	41.3
199.11208	9.0
199.14824	15.4
201.12682	7.3
203.14333	12.1
204.09221	3.9
206.10852	7.3
206.34535	3.9
207.11693	21.4
207.13634	7.6
208.12492	14.4
209.09760	4.0
209.13229	29.9
210.13940	5.7
211.11090	4.4
211.14766	21.9
213.12741	11.2
213.16345	4.6
215.14281	11.9
217.15666	4.8
218.10931	5.4
219.11644	4.5
220.12462	8.4
221.13240	15.0
221.15355	24.3
222.13966	7.4
223.14792	20.1
225.12759	7.0
225.16391	10.4
227.14296	8.6
227.18057	4.6
229.15779	6.3
231.11612	6.3
232.12450	5.7
233.13245	8.1
233.15366	21.1
234.16029	9.0
235.14771	15.3
237.16367	14.6
239.14314	4.9
239.17935	4.7
245.13187	5.9
246.14037	7.9
247.14807	8.2
249.16408	10.9
251.18079	5.1
253.15829	6.3
253.19482	4.5
255.17406	33.2
260.08292	3.9
261.16238	8.2
263.17978	8.1
265.19476	5.1
267.17365	4.5
269.18903	8.1
270.19473	5.1
271.20438	5.5
273.18588	5.7
275.18054	7.9
281.19003	7.2
285.18539	6.8
287.20160	4.9
289.19354	5.3
295.20532	5.4
299.20035	7.0
365.24786	6.4
383.26065	5.5
399.26981	4.2
541.37689	3.9
600.41589	14.1
605.10516	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.2
57.07069	9.9
58.25669	4.3
59.04993	8.1
59.07184	4.4
59.90332	4.7
66.20634	4.7
67.05483	30.2
69.03420	14.3
69.07049	15.4
69.16738	4.5
69.58417	4.6
74.23829	5.3
78.56142	5.2
79.05475	39.8
81.07047	39.2
83.04964	17.5
83.08611	5.7
91.05472	60.1
93.07033	65.9
95.04967	32.5
95.08605	28.8
97.06509	15.5
103.05472	8.6
105.07022	100.0
107.08582	57.1
109.06485	24.8
109.10142	19.4
115.05466	7.5
117.07032	26.2
119.04914	5.5
119.08556	86.2
121.06479	19.8
121.10137	42.1
122.88332	5.0
123.08059	36.4
128.06186	17.8
129.07013	26.7
130.07782	9.0
131.08559	52.3
133.06503	7.4
133.10114	45.1
135.08052	21.8
135.11719	9.7
137.09576	12.5
139.07530	7.4
141.06917	7.0
142.07817	31.8
143.08522	54.0
144.09302	11.5
145.06421	8.8
145.10115	70.1
146.07251	7.8
147.08063	38.4
147.11641	18.6
149.09624	19.9
151.07507	9.9
153.07103	5.4
155.08549	22.2
156.09351	26.5
157.10112	79.3
158.10867	12.0
159.06927	5.6
159.08008	24.5
159.11664	39.3
161.09587	26.4
161.13316	7.3
163.11139	13.5
165.07008	10.4
165.09053	37.9
166.07802	6.4
167.08531	16.9
167.10651	10.4
168.09273	10.2
169.10123	28.7
170.10881	12.0
171.08026	6.1
171.11642	40.1
172.12456	6.2
173.09569	11.7
173.13283	18.5
175.11200	27.7
179.08434	11.7
180.09335	6.3
181.10139	20.4
181.12169	7.0
182.10828	14.0
183.11653	30.6
185.09631	10.7
185.13235	25.0
187.11201	15.4
189.12726	11.7
190.13434	9.7
191.14244	6.7
193.10060	15.1
193.12097	7.8
194.10881	15.9
195.11713	21.6
196.12411	18.4
197.09494	7.5
197.13185	24.4
199.11212	8.2
199.14812	6.4
201.12662	11.0
203.14340	16.3
206.10950	6.4
207.11667	23.6
207.13640	12.0
208.14395	8.0
209.13316	25.3
209.14920	5.8
211.11255	7.7
211.14870	12.4
213.12708	7.1
219.11566	5.3
219.13795	6.5
220.12340	7.0
221.13210	17.9
221.15353	51.9
222.13901	5.2
223.14798	10.7
225.12680	9.7
225.16483	10.2
233.13277	6.0
233.15382	14.6
235.14799	6.6
237.14862	18.0
245.13129	7.4
247.14746	7.2
247.16969	6.9
249.16330	8.5
253.15833	8.4
255.17491	15.4
261.16406	6.6
273.18536	7.3
274.19287	8.6
285.18582	6.2
286.19296	6.5
292.18460	5.9
294.19800	7.5
297.18344	8.3
299.20087	6.2
303.19669	24.1
313.21338	9.8
319.20514	6.7
325.21753	26.4
346.16827	7.2
352.23999	44.1
365.24704	22.0
406.61557	5.4
507.34653	15.4
520.35260	16.6
600.41357	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.2
55.01859	2.8
55.05509	18.3
56.72213	2.2
57.07066	11.5
59.04995	2.7
63.75080	2.6
65.03937	6.3
67.05502	24.7
69.03412	17.0
69.07052	13.0
70.72585	3.3
71.04980	3.0
77.03923	3.2
79.05485	34.0
80.06266	3.0
81.07047	33.4
83.04965	12.7
83.08602	9.3
85.06537	8.6
89.06005	3.7
91.05473	63.6
92.98271	2.4
93.07035	60.1
95.04962	27.9
95.08603	30.8
97.06541	12.3
98.04607	2.4
103.05479	6.3
105.04496	5.9
105.07023	100.0
106.07845	4.4
107.04940	3.4
107.07913	4.9
107.08581	48.3
109.06512	23.6
109.10158	21.6
111.08048	3.8
115.05458	8.1
116.06230	3.4
117.07028	23.0
119.04897	2.7
119.08571	80.7
121.06490	12.1
121.10123	43.3
123.08072	27.5
123.11711	4.1
125.05959	4.4
125.09626	6.7
128.06223	21.6
129.07005	29.9
130.07755	11.8
131.08548	48.3
132.09280	3.6
133.06505	8.0
133.10115	42.6
134.10902	2.8
135.08058	19.5
135.11653	11.8
137.09627	9.4
139.07492	4.1
139.11182	2.9
141.06998	13.1
142.07762	37.5
143.08546	56.3
144.09355	16.2
145.06485	8.4
145.10118	62.9
146.10818	5.4
147.08041	23.5
147.11674	14.9
148.08852	4.1
149.09622	14.2
151.07542	12.2
151.11121	3.1
153.06976	7.1
154.07739	3.9
155.08528	25.3
155.10588	3.2
156.09332	24.8
157.10126	66.7
158.10895	8.3
159.08006	18.2
159.11684	32.9
160.08821	10.4
161.09633	17.0
161.13263	6.9
163.11186	16.8
165.07011	11.5
165.09102	21.0
166.07822	6.1
167.08554	11.5
167.10670	7.1
168.09361	12.4
169.10121	30.5
170.10881	11.5
171.08005	2.9
171.11676	37.0
172.08752	5.7
172.12343	6.4
173.09631	9.6
173.13284	16.2
175.11195	22.7
175.14793	6.2
176.11852	2.9
179.08540	15.0
179.10606	5.2
180.09267	9.0
181.10124	21.8
181.12202	11.4
182.10898	11.3
183.11670	28.8
184.12405	6.1
185.09637	8.0
185.13255	15.3
187.11176	9.9
187.14729	3.7
189.12730	11.5
189.16515	3.0
190.13490	10.3
191.08556	3.8
191.14160	4.4
192.09317	6.0
193.10109	17.6
193.11964	4.8
194.10883	12.8
195.11699	21.5
196.12430	6.1
196.66209	2.5
197.09563	5.2
197.11668	3.5
197.13240	18.5
198.10396	2.7
199.11163	8.7
199.14838	8.9
201.12714	8.8
201.57156	2.3
203.14246	16.3
205.10060	7.9
206.10869	7.5
207.11685	21.1
207.13809	12.9
208.12437	7.6
208.14572	8.8
209.13258	23.1
209.15143	6.0
210.14052	5.3
211.11093	6.7
211.14828	10.1
213.12715	13.1
213.16370	5.7
215.14282	6.9
217.10022	5.8
217.15714	2.9
219.11711	6.0
219.13841	4.5
220.12399	6.0
221.13252	10.3
221.15305	62.2
222.13840	2.9
222.15794	2.6
223.11308	4.1
223.14722	14.5
225.12778	7.4
225.16402	7.5
227.14349	6.9
229.15744	3.3
231.11656	6.8
232.12430	3.6
233.13206	7.8
233.15369	16.6
234.13966	4.7
234.16135	7.7
235.14804	9.9
235.16829	2.6
237.12660	5.8
237.14667	25.7
239.17987	2.8
241.15822	3.8
244.12447	3.8
245.15456	3.1
246.13930	2.7
246.16199	3.6
247.14780	6.0
247.17046	7.8
248.14107	7.3
249.16460	6.0
249.38509	2.6
251.14301	2.7
251.17914	3.0
252.18748	3.5
253.15930	5.8
255.17392	23.2
259.14676	5.4
261.16403	5.6
263.17944	4.9
269.18954	6.7
270.19745	8.7
271.16977	5.1
273.18579	5.9
274.19312	9.7
279.17535	6.1
281.18912	9.5
282.19653	3.4
285.18597	5.6
286.19250	11.1
287.20038	10.2
294.19934	4.6
295.20441	3.5
299.20078	8.8
303.19540	32.1
311.20160	2.8
312.20844	4.3
313.21487	11.3
325.21582	16.6
337.21609	5.3
347.23764	3.1
352.23972	51.6
359.23581	2.6
365.24722	22.7
377.24728	6.2
383.25845	4.4
454.32159	3.1
487.31961	4.7
502.34064	7.6
503.35239	7.0
505.33044	6.0
507.34631	10.5
508.33911	3.4
520.35260	26.8
582.40137	4.5
585.39459	5.3
600.41687	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58912	2.7
53.03943	5.2
55.05511	24.2
57.07068	8.2
58.38778	2.6
65.03926	7.1
67.05502	35.1
69.03425	12.5
69.07061	22.9
69.15813	9.2
69.16214	7.6
71.04956	4.2
77.03927	3.4
79.05488	37.5
80.06279	3.2
81.07050	44.1
83.04973	19.6
83.08619	11.4
85.06534	9.1
87.04459	5.7
89.06022	5.1
91.05475	58.6
93.07034	73.9
94.07807	4.3
95.04955	31.7
95.08591	33.7
97.06523	15.6
98.23512	6.3
103.05466	6.0
105.07025	100.0
107.08588	77.0
109.06492	16.7
109.10148	35.8
111.08084	5.8
113.09627	5.4
115.05460	9.4
116.06237	3.0
117.07021	26.8
119.08567	89.2
121.06525	14.7
121.10122	52.7
123.08046	30.1
123.11682	5.8
125.09622	12.0
127.07563	2.8
128.06192	21.5
129.06976	25.9
130.07794	9.8
131.08543	57.0
131.09453	4.5
132.09358	4.5
133.06482	7.2
133.08614	4.3
133.10107	45.1
135.08041	11.6
135.11638	17.8
136.08846	3.4
137.09605	11.3
139.11224	4.5
141.06964	17.3
142.07762	30.6
143.08536	60.6
144.09291	16.4
145.06494	5.6
145.10103	74.6
147.08011	17.8
147.11687	25.8
149.09624	13.1
149.13091	3.2
151.07529	6.5
153.06987	8.4
154.07704	7.2
155.08540	25.5
155.10672	9.3
156.09341	30.4
157.10109	72.3
158.10857	9.5
159.08080	20.6
159.11670	43.7
160.08820	7.3
160.12473	3.7
161.09618	16.2
161.13287	6.2
163.11195	9.0
165.07016	11.8
165.09097	6.2
166.07784	7.8
167.08572	18.2
167.10669	15.0
168.09354	10.9
169.10114	40.3
170.10889	15.6
171.08043	6.3
171.11656	48.8
172.12410	5.9
173.09567	12.8
173.13246	25.9
174.10234	4.0
175.11108	18.1
175.14819	6.3
177.12729	3.8
179.08559	15.1
180.09332	13.5
180.25798	4.5
181.10088	20.4
181.12393	3.3
182.10933	11.6
183.08009	3.8
183.11655	38.9
184.12433	6.8
185.09697	4.6
185.13257	35.5
187.11177	7.2
187.14841	8.7
188.11987	3.9
189.12724	7.8
189.16501	3.9
190.13564	4.2
191.14510	3.8
192.09326	7.2
193.10147	18.5
194.10880	9.3
195.11665	38.4
196.12436	12.8
197.09630	3.5
197.13246	28.7
198.14021	5.5
199.11218	6.0
199.14742	14.1
200.30066	3.0
201.12708	4.4
203.14229	9.0
204.09264	3.6
205.10110	4.3
206.10843	11.0
207.11739	23.0
207.13493	5.5
208.12434	10.6
209.13181	21.9
210.13986	9.0
211.11168	7.4
211.14749	18.2
213.12770	10.6
213.16281	6.7
215.14299	8.0
217.09976	4.0
217.15689	3.0
219.11685	6.9
219.13652	3.5
220.12405	8.8
221.13216	18.5
221.15393	12.6
222.13965	5.8
223.11131	4.8
223.14717	15.0
225.12796	6.4
225.16351	7.2
227.14288	7.8
229.15793	3.2
231.11716	3.7
232.12396	5.2
233.13193	10.3
233.15373	24.4
234.13963	4.8
235.14822	11.7
237.16354	13.3
239.14255	5.6
241.15855	4.3
245.13091	6.6
247.14792	9.6
247.17183	5.1
248.15575	3.7
249.16396	10.2
251.14276	4.2
251.17880	5.9
253.15858	3.8
253.19492	3.9
255.17378	29.6
257.19003	4.5
259.14810	6.4
261.16327	8.7
263.17871	6.5
265.15726	3.6
265.19644	3.6
269.18970	5.0
270.19821	5.4
273.18628	4.8
279.17374	3.6
281.19025	7.2
287.17673	4.2
288.30847	3.3
299.20203	4.9
301.19550	3.7
313.21579	3.5
329.22559	4.4
345.21927	3.9
347.23666	6.0
353.94357	3.7
383.26102	3.5
600.41272	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01864	3.2
55.05504	18.2
57.07065	9.8
59.04988	2.5
63.02322	2.3
65.03928	3.8
67.05495	26.4
69.03413	6.5
69.07057	27.4
69.37350	8.1
69.37759	5.2
79.05483	35.9
81.03414	3.0
81.07050	36.6
81.38132	2.5
83.04967	12.3
83.08601	11.9
85.06544	3.5
91.05474	49.8
93.07038	67.8
95.04955	15.8
95.08601	44.0
97.06522	11.8
101.51723	2.6
103.05451	5.4
105.07019	70.0
106.07307	3.9
107.08577	65.8
109.06510	10.8
109.10129	27.7
111.08078	5.1
115.05439	3.4
116.06228	3.4
117.07015	23.9
119.08565	100.0
121.06516	12.6
121.10133	59.9
123.08053	10.8
123.11691	11.5
125.09621	14.5
128.06227	9.1
129.06992	18.1
130.07767	4.0
131.08545	37.8
132.08934	2.5
133.06491	5.1
133.08623	3.3
133.10115	53.9
135.08037	11.4
135.11693	21.3
137.09592	9.1
139.07469	2.6
139.11165	6.4
141.06956	5.7
142.07776	19.9
143.08559	38.6
144.09308	12.0
145.06429	5.0
145.10120	76.4
147.08025	9.3
147.11694	16.9
149.09625	18.0
149.13297	6.5
151.07590	5.8
151.11208	2.8
153.07072	2.3
155.08542	17.1
156.09334	13.8
157.10123	46.2
158.10858	9.6
159.08025	8.3
159.11674	41.1
161.09589	10.8
161.13231	7.8
163.11208	7.1
165.06935	3.4
165.09099	4.7
166.23549	3.4
167.08598	6.5
167.10660	49.8
168.09306	7.3
169.10086	22.2
170.10884	8.7
171.11673	27.1
173.09586	5.4
173.13213	25.9
175.11244	7.4
175.14763	17.8
177.12738	6.1
179.08522	7.8
180.09383	6.9
181.10115	12.2
181.12167	6.1
182.10918	6.4
183.11700	24.7
184.12392	3.3
185.09628	5.0
185.13240	16.6
187.11128	4.7
187.14854	16.0
189.12721	3.7
193.10094	8.4
194.10847	8.3
195.11685	23.9
196.12440	7.1
197.09483	3.1
197.13237	25.1
199.11072	3.8
199.14804	9.0
201.12727	6.3
201.16365	8.6
203.14328	7.5
205.15958	3.3
206.10858	6.4
207.11665	11.0
207.13675	4.4
208.12439	7.1
209.13226	17.1
210.13863	4.0
211.11276	3.8
211.14827	11.7
213.12785	3.3
213.16199	2.7
215.14297	6.9
217.10182	4.3
217.15836	5.8
219.11624	5.6
219.13705	5.8
219.17346	3.2
220.12477	3.4
221.13217	9.1
221.15414	11.8
222.15739	3.4
223.14764	18.0
225.12791	3.0
225.16374	5.8
227.14159	3.9
233.13168	6.5
233.15404	8.0
234.13837	3.2
234.15997	8.5
235.14726	6.4
237.16338	4.3
239.17879	6.4
241.19722	3.5
244.12512	3.6
245.13171	6.3
246.13942	4.0
247.14651	6.3
249.16342	6.5
251.17776	2.8
253.19612	3.6
259.14642	3.9
261.16403	5.7
262.37216	2.9
263.17996	6.6
265.19482	5.8
267.20901	3.4
271.20306	3.3
281.18823	3.3
283.20554	4.3
285.18390	3.2
297.22116	5.8
363.26978	12.5
363.72025	2.8
465.33566	7.7
539.38959	2.8
557.39709	11.8
600.41620	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01870	2.9
55.05506	19.3
57.07063	4.9
65.03918	5.2
67.05505	29.4
69.03423	10.1
69.07065	15.0
71.04978	5.9
77.03925	4.2
78.41285	2.6
79.05482	40.6
81.07060	35.0
83.04974	17.2
83.08616	8.0
85.06549	8.7
87.04475	5.7
91.05473	66.5
93.07035	63.0
93.60493	2.9
95.04952	35.7
95.08591	29.3
97.06507	15.4
98.23500	8.4
103.05479	3.7
105.04517	5.9
105.07015	100.0
107.04929	7.4
107.08580	53.9
109.06508	16.7
109.10165	24.6
111.08066	6.8
115.05454	9.3
116.06257	4.7
117.07012	27.1
119.08569	71.2
119.78188	3.1
121.06477	13.9
121.10125	46.6
123.08060	28.8
123.11723	3.9
125.06034	3.5
125.09609	9.1
128.06195	19.0
129.06990	34.7
130.07782	12.6
131.08556	52.2
132.09314	4.4
133.06519	3.6
133.10117	45.8
135.08008	15.7
135.11696	9.8
137.09613	10.5
139.11176	5.2
141.06972	11.6
142.07764	41.9
143.08560	46.1
144.09305	14.2
145.06422	7.1
145.10109	67.6
147.08029	16.9
147.11635	17.9
149.09642	15.3
151.07573	6.3
151.11119	3.8
153.06987	8.3
154.07755	8.0
155.08548	28.0
155.10638	10.3
156.09320	26.2
157.10101	63.3
158.07225	3.6
158.10901	12.5
159.08000	20.2
159.11647	32.9
160.08813	8.0
161.09602	16.7
161.13217	7.5
163.11171	9.0
165.06990	10.4
165.09119	8.0
166.07823	7.2
167.08524	16.0
167.10666	16.1
168.09296	5.2
169.10094	31.2
170.10873	11.3
171.08060	5.8
171.11667	40.7
172.09012	2.9
172.12450	3.8
173.09648	10.1
173.13263	24.6
175.11101	16.2
175.14784	5.6
179.08549	18.5
180.09370	10.6
181.10123	23.4
182.10947	14.4
183.11693	27.0
184.12378	6.1
185.09599	7.7
185.13248	23.1
186.14046	3.4
187.11209	7.8
187.14853	10.4
188.11928	3.5
189.12749	7.8
191.14290	6.1
192.09395	7.7
193.10078	17.3
194.10892	10.2
195.11696	26.9
196.12389	14.9
196.80063	3.0
197.09604	5.1
197.13228	32.9
198.14049	4.1
199.11200	5.5
199.14766	14.4
201.12703	5.4
203.14250	13.7
205.10193	4.6
206.10873	7.7
207.11729	26.3
207.13658	7.0
208.12439	10.2
208.14511	5.3
209.13281	21.6
210.10309	3.2
210.13997	6.5
211.11180	6.6
211.14706	20.4
213.12680	9.9
213.16377	9.2
215.14304	8.3
217.10051	4.4
217.15791	3.8
218.10905	4.2
218.16550	4.5
219.11621	8.4
219.13716	4.0
220.12523	6.0
221.13271	12.5
221.15381	27.8
222.13919	6.9
223.14793	16.6
224.15704	4.0
225.12758	7.4
225.16373	12.9
227.14218	5.9
228.15042	3.2
229.15805	4.8
231.11638	5.0
232.12338	4.7
233.13254	5.7
233.15376	20.3
234.13985	5.5
234.15982	6.8
235.14812	8.5
237.16373	9.8
239.14235	5.4
239.17981	6.1
241.15849	4.3
245.13068	4.5
246.13966	5.7
246.74124	3.0
247.14757	6.6
247.17075	6.8
249.16429	7.1
251.17970	3.9
252.18767	3.4
253.15688	5.4
255.17404	32.7
258.13913	4.0
259.14734	7.2
261.16431	7.1
263.17862	7.5
265.16333	3.2
265.19489	6.4
267.17435	4.0
268.18152	4.9
269.19125	7.0
270.19745	6.6
271.17087	3.6
273.18564	6.6
274.19312	4.1
277.15918	4.3
277.19223	4.9
279.17511	6.4
281.19159	7.3
283.20612	3.8
285.18668	4.1
286.19257	5.7
287.20050	7.6
289.19363	3.8
291.17780	4.3
293.18762	4.1
295.20605	7.9
299.20212	6.0
303.19592	5.6
313.21533	3.5
333.22287	3.3
347.23663	4.9
352.24017	10.6
365.24765	8.6
381.70734	3.4
383.25766	8.1
417.32068	3.3
439.29944	3.1
520.35498	4.9
567.37958	3.5
582.40350	3.2
600.41266	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	601.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86700	0.8
60.08146	1.4
67.01241	1.1
67.05510	4.2
67.33250	1.0
69.00818	0.9
69.07059	1.7
69.58618	0.9
69.80617	2.4
71.07370	1.8
73.06572	1.2
79.05473	2.0
80.46526	0.9
81.07073	2.3
86.09692	7.6
94.06569	2.9
95.08597	1.1
96.08125	5.8
98.23442	1.8
104.10735	16.5
105.07040	2.3
107.04903	1.1
111.08114	1.2
115.05484	2.5
117.06995	10.9
118.07814	2.0
119.08616	4.6
122.05972	1.2
128.06235	1.3
128.10742	1.5
131.08543	1.6
140.07118	1.9
143.08539	7.0
145.06480	4.3
145.10132	1.9
146.07246	5.1
146.98164	4.5
147.08043	2.1
155.08560	4.8
160.07674	1.0
165.06958	1.1
169.10065	1.3
171.08041	6.5
171.10268	1.1
172.07455	1.1
173.05954	5.4
174.06567	1.0
175.07646	1.0
180.09459	1.2
182.99072	2.1
183.11578	1.1
186.09135	1.8
190.06262	1.0
195.11702	2.1
197.13246	2.7
198.09178	3.3
201.00159	3.2
207.11661	1.8
212.14330	2.7
214.06544	2.3
214.08612	43.4
215.09364	4.0
216.10173	89.3
217.10449	1.4
222.12964	1.0
225.12747	3.0
226.08589	2.2
235.09926	1.1
240.10101	1.2
240.13814	2.7
250.12160	2.0
252.13922	1.6
253.12250	2.3
254.11763	2.3
268.13297	36.0
269.14105	20.3
270.14853	100.0
271.15225	3.8
286.14343	74.8
287.14499	2.0
300.15903	70.9
301.16672	69.9
302.17462	45.5
303.09790	1.5
303.17889	2.0
400.70364	1.0
484.25598	2.0
542.31042	1.0
543.32190	6.5
555.31976	1.1
601.22906	1.5
601.32788	11.7
605.48633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	2.6
57.07041	1.2
67.05457	3.0
67.05775	0.7
69.07029	1.8
69.52583	2.4
69.84988	0.8
79.05473	3.7
81.07043	4.6
83.04938	2.0
85.06533	0.9
86.68658	0.7
89.05965	2.2
89.30988	0.7
91.05467	6.0
93.07034	7.7
95.04900	1.9
95.08620	4.3
105.06380	0.8
105.07018	12.8
107.08582	5.7
109.06451	1.3
109.10110	2.2
117.07008	4.5
119.08553	10.0
121.10136	4.2
123.04148	1.5
123.07990	2.0
123.11654	1.2
128.06116	1.1
129.06955	1.5
129.18596	0.6
129.98651	0.8
131.08594	4.3
133.08542	1.1
133.10106	5.7
135.11665	1.7
137.09540	1.3
142.07741	1.3
143.08540	1.7
144.09253	0.9
145.10106	6.8
147.08031	1.7
147.11674	1.2
149.09554	1.2
151.07504	0.8
155.08455	0.9
156.09239	0.8
157.10046	3.2
159.11684	5.9
161.09435	0.9
161.13211	4.3
163.11047	0.8
163.18173	0.7
165.09088	2.3
167.10628	2.3
169.10075	1.3
170.10768	0.7
171.11624	1.8
173.13164	1.3
175.11015	0.8
175.14771	0.9
177.11089	0.8
179.08492	0.7
181.12263	1.1
183.11526	1.1
185.13177	1.0
193.12129	0.9
194.10817	0.8
195.11586	1.3
199.14738	1.1
201.16290	0.8
203.14252	1.4
207.11572	0.9
207.13689	1.1
208.14305	0.8
209.13213	1.5
211.14687	1.3
221.13332	1.3
221.15216	4.8
222.15747	1.1
223.09384	20.2
223.14737	1.1
224.09778	0.8
233.15379	1.7
241.15657	3.3
250.05650	0.8
283.20615	0.7
301.17715	14.2
323.14609	100.0
324.14877	2.7
352.23999	1.7
353.24451	1.8
401.22754	1.8
501.27689	1.0
521.35431	1.4
601.33392	52.8
601.41858	3.3
602.33936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01800	0.7
51.02386	0.8
53.03940	0.9
55.05504	4.8
57.07072	5.9
57.07316	1.1
59.04992	2.8
67.05495	9.4
67.13847	0.8
69.03416	6.9
69.07069	4.5
69.38797	2.3
69.39192	1.8
75.56111	0.9
77.03940	1.3
79.05486	9.7
81.07050	15.2
83.04972	3.8
83.08620	1.6
85.06542	2.3
91.05472	17.9
91.06046	0.9
93.07035	27.6
95.04958	8.0
95.08599	15.8
96.05286	0.8
96.53227	0.8
97.06530	3.3
103.05477	2.1
105.04530	1.4
105.07014	28.2
106.07306	1.3
107.04948	1.3
107.08591	14.1
108.56853	0.7
109.06506	7.8
109.10133	6.7
110.83175	0.8
111.08083	1.7
115.05467	2.4
116.06261	1.7
117.07003	7.2
119.08569	31.5
120.08885	1.3
121.06466	3.9
121.10140	16.6
122.10500	1.1
123.08044	12.6
123.11748	2.6
125.05988	3.4
128.06215	1.9
129.06984	4.1
130.07774	1.7
131.08559	11.5
133.06543	1.3
133.10114	17.6
134.10437	1.8
135.08026	7.4
135.11659	6.3
137.09605	11.6
141.07001	1.7
142.07790	6.9
143.08545	13.5
144.09334	3.8
145.10118	23.3
146.10539	1.2
147.08028	17.7
147.09151	1.2
147.11687	5.6
149.09573	4.1
149.13242	1.1
151.07544	10.2
153.09087	1.2
155.07440	1.0
155.08502	4.8
156.09372	4.8
157.10112	14.2
158.10721	1.9
159.08038	3.3
159.11664	13.2
160.12196	1.5
161.09653	3.4
161.13200	4.7
163.11153	7.9
165.07057	1.8
165.09093	37.8
166.07912	1.3
166.09438	1.8
167.08580	2.5
168.09380	0.8
169.10074	5.6
170.10869	2.3
171.11696	8.6
172.12157	1.1
173.09625	1.5
173.13225	6.0
175.11188	4.3
175.14822	3.8
177.09108	2.0
177.12515	1.0
179.08588	2.1
179.10646	1.1
180.09302	1.0
181.10081	4.0
181.12202	9.7
182.10849	1.3
182.12584	1.2
183.11664	7.7
184.12416	1.6
185.09697	1.0
185.13263	5.3
187.11125	1.9
187.14792	4.2
189.12778	3.5
191.10594	1.0
191.14276	2.4
192.09430	0.9
193.10141	3.5
193.12271	1.6
194.10854	1.5
195.11690	4.4
195.13654	1.3
196.12390	2.0
197.13249	6.1
198.10225	1.0
198.13719	0.9
199.11212	1.9
199.14815	2.3
201.12746	2.1
201.16194	0.9
203.14304	15.2
204.14558	1.0
204.37997	0.8
206.10899	1.7
207.11700	3.0
207.13829	7.6
208.12502	1.3
208.14548	1.9
209.13246	4.9
209.15274	2.2
210.13901	1.5
211.11035	1.0
211.14865	3.7
213.12701	1.6
213.16422	2.5
215.14259	1.3
217.15935	1.1
219.11629	1.8
219.13712	1.3
220.12447	1.2
221.13370	3.6
221.15332	100.0
222.15678	7.7
223.14890	3.0
225.12720	1.4
227.14223	1.7
233.13239	1.4
233.15421	1.8
234.16061	2.3
235.14813	3.0
235.16821	1.5
237.12727	1.1
237.16348	2.7
239.14334	1.1
241.19551	1.0
247.16959	3.7
248.17375	1.9
249.16364	1.9
251.17955	1.5
254.16298	0.9
261.16364	1.3
263.17883	1.3
265.19431	1.1
274.19312	1.4
283.20654	2.3
285.18582	1.6
286.19244	3.6
287.20151	5.9
288.20392	1.3
297.22171	1.3
299.20102	3.7
300.20621	5.7
301.21786	4.9
312.20792	1.8
313.21594	1.8
325.21640	2.1
326.22076	1.5
340.23734	1.3
341.24438	1.9
352.23920	2.8
353.24316	4.7
367.26270	7.1
375.26773	1.7
377.24646	1.4
378.25769	1.2
393.27734	2.6
403.30261	1.3
420.29782	1.6
421.31033	1.2
425.30753	1.0
427.28537	1.4
428.28888	2.0
440.29257	3.4
441.29596	6.8
491.35123	10.6
509.36087	3.1
520.35364	1.2
521.35876	6.8
583.41406	10.7
601.42340	31.0
602.42987	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.01870	10.0
55.05515	3.4
56.23329	2.5
57.03414	4.9
61.02925	5.1
67.05502	5.2
68.99777	2.9
69.03418	32.7
69.07045	2.9
70.06620	2.3
71.04977	8.1
71.41228	3.4
73.02905	5.3
75.04470	8.5
78.14060	2.5
79.05469	3.5
81.03416	31.5
81.07056	14.6
85.02899	100.0
85.03416	5.5
85.06586	3.1
87.00821	46.5
91.05463	5.7
93.07039	8.4
95.08610	14.2
97.02882	48.5
99.04442	13.3
105.01862	55.7
105.07029	7.7
105.46635	2.8
107.08575	7.1
108.04441	3.8
109.02874	38.8
109.10144	10.0
117.01882	5.7
117.07044	3.7
119.08567	3.1
121.10149	5.9
127.03906	89.4
129.01810	3.8
131.08519	5.5
133.10132	5.1
134.82523	2.6
135.11668	3.0
137.09781	2.7
137.13310	3.2
145.04942	44.4
145.10092	4.7
147.02972	2.6
147.04407	11.2
147.11681	7.0
155.14272	4.4
159.02843	20.6
159.11676	8.8
161.13252	2.8
173.13240	6.6
173.15343	16.0
179.10713	3.1
185.13168	2.7
197.11800	2.8
199.14896	3.6
208.23273	2.6
213.03842	6.0
215.45268	2.4
230.06747	3.0
231.04948	24.4
248.07629	3.4
249.05956	5.2
255.21085	38.0
255.91115	2.8
273.22073	37.9
283.20572	3.3
301.21552	19.3
319.22476	12.7
334.93042	2.5
466.79941	2.7
549.26575	10.4
567.07404	3.6
602.27496	11.5
602.42090	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	602.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99176	0.5
55.05498	1.3
56.05029	1.1
57.03430	0.8
58.06617	3.1
58.89260	0.6
60.08165	6.1
67.05499	2.3
67.43159	0.7
69.07059	1.2
71.07371	5.3
71.44002	0.8
79.05505	0.8
81.07053	3.3
83.08583	0.8
86.09702	24.7
90.94150	0.6
91.05471	0.6
93.07029	0.8
93.35165	0.6
95.08604	1.8
102.09182	1.9
103.86163	0.5
104.10738	100.0
105.11089	1.1
118.90661	0.6
121.17455	0.5
124.99997	2.9
127.46169	0.6
146.98177	2.2
156.97516	2.5
164.97914	0.6
174.98541	2.4
181.02707	0.9
182.99046	11.3
184.07384	1.0
186.29294	0.6
200.98245	0.8
201.00087	13.3
208.93056	2.1
210.94516	1.3
213.00072	1.0
216.10149	1.8
216.99655	0.6
217.10406	1.2
221.00577	1.3
225.00064	2.3
239.01601	6.2
240.09988	4.2
243.01115	3.4
266.06439	1.7
268.00308	2.5
270.14874	1.4
271.15302	1.7
283.99762	0.8
284.07428	4.4
286.14200	1.1
287.14648	1.0
300.15927	1.1
301.16455	2.4
302.17300	2.0
303.18021	1.0
303.21478	1.2
321.22751	4.5
322.01572	2.9
337.27396	0.8
339.23679	1.2
457.21988	2.5
483.24039	2.0
486.28085	2.4
502.32361	1.2
505.23874	0.6
531.20605	0.7
542.31390	5.4
584.32281	1.2
602.32831	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	602.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.4
56.33010	2.3
64.24589	2.2
67.05495	6.3
69.07084	2.6
69.94496	5.7
71.04983	3.3
79.05464	9.8
81.07040	8.7
83.04974	12.6
85.06547	2.6
91.05469	57.4
93.07053	17.1
95.04964	15.9
95.08672	2.9
97.06538	3.4
105.07012	51.3
105.72402	2.4
107.07797	2.6
107.08577	9.5
109.06523	8.7
112.84319	2.7
112.91276	2.3
115.05421	11.6
117.07012	60.5
119.04906	3.4
119.08588	18.7
121.06513	4.9
123.08047	3.8
128.06192	15.0
129.06993	32.6
130.07808	12.1
131.08565	38.6
133.06491	7.8
133.08539	3.3
133.10104	17.4
135.08044	4.6
141.06943	4.6
142.07770	13.0
143.08534	35.1
144.09378	2.8
145.06451	6.8
145.10107	63.2
147.08064	4.6
147.11687	4.5
149.09561	5.4
151.07607	3.4
155.08522	19.6
156.09277	7.8
157.10107	28.4
159.08125	3.9
159.11644	10.9
161.09612	10.0
163.11240	3.6
165.07054	4.1
169.10162	5.0
170.10899	3.7
171.08116	4.3
171.11646	9.7
173.09605	100.0
174.10031	2.7
175.11174	11.1
175.14771	3.1
180.09383	3.5
183.11768	3.4
185.13264	28.2
187.11092	3.4
189.12769	5.4
191.10661	18.0
195.11697	7.7
203.14304	21.6
213.12706	26.0
231.13748	41.4
249.14871	5.8
309.29047	3.1
602.41736	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	603.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
61.90852	0.5
65.03936	0.4
68.04997	0.4
70.66835	0.3
75.68556	0.4
79.05476	1.7
82.06576	0.4
82.80551	0.4
84.04492	5.1
86.09709	0.4
89.03910	9.9
91.05491	0.4
95.04967	0.8
96.04485	0.5
98.23528	0.9
107.04934	2.3
108.04488	1.2
111.04400	0.5
112.03958	0.9
117.03371	10.7
117.04195	0.7
121.01151	0.4
122.54224	0.5
130.04987	1.9
131.04945	0.5
135.04404	23.3
136.03918	1.8
137.07059	0.5
139.03899	1.0
145.02846	14.9
149.00606	0.6
163.03888	100.0
164.04218	1.7
173.05913	0.5
175.03970	0.5
178.02573	0.5
181.04941	1.0
183.01064	0.5
189.47659	0.4
191.01570	1.2
193.06117	0.9
195.01096	1.6
199.40160	0.5
201.05519	0.9
203.07063	0.7
206.61235	0.5
209.02699	1.6
211.00543	0.5
211.07010	1.9
219.01105	1.1
237.02090	1.5
237.05421	0.6
246.07625	0.6
255.03233	0.7
274.05112	0.7
283.05875	0.6
304.11783	0.5
311.05307	1.2
320.05807	0.8
338.06888	1.4
345.14560	1.2
348.05307	0.9
358.05911	0.5
366.06332	1.6
371.07697	0.4
391.15012	0.5
395.08954	0.8
404.15839	1.2
423.07904	0.7
441.09662	2.4
464.18484	6.0
482.19138	0.7
500.09909	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
62.01590	0.2
63.02377	0.6
67.79787	0.3
69.79346	0.4
69.79675	0.5
74.87273	0.3
76.03985	0.4
76.83652	0.2
77.54055	0.2
79.05479	1.1
80.04993	0.6
81.03445	0.2
82.06564	1.3
84.04498	4.7
86.09715	0.3
89.03905	7.7
95.04966	0.4
96.04491	0.9
107.04938	1.7
108.04449	0.9
110.06046	0.8
112.03958	0.8
117.03375	8.6
121.01066	0.3
124.03941	0.7
126.05531	0.4
130.04976	2.5
135.04404	17.0
136.03911	1.9
137.07072	1.6
139.08611	0.3
145.02835	12.1
147.02716	0.3
147.04312	0.2
149.00551	0.8
163.03886	100.0
164.04204	1.4
165.06587	0.9
167.01582	0.5
178.02570	0.4
181.04869	0.3
183.07693	0.6
187.03873	0.5
191.01553	1.2
193.06076	1.9
195.01097	1.4
201.05399	0.7
203.07063	0.5
205.03082	0.3
209.02673	1.2
209.05577	0.8
211.00504	0.5
211.07121	9.2
214.03275	0.2
219.01129	1.3
237.02176	2.0
246.07680	0.7
255.03236	1.5
268.07205	0.2
274.05435	0.3
292.06421	0.3
312.05399	0.3
320.05786	0.9
338.06992	2.0
348.05368	0.9
366.06424	2.0
377.07724	0.5
395.09021	0.8
423.08655	0.7
441.09622	2.6
500.09958	0.8
559.53833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2199
Annotation	Genkwadaphnin
Peak:m/z	Relative Intensity
71.43658	0.6
82.63548	0.6
100.12165	0.6
224.20857	0.6
224.94662	0.6
229.10139	0.5
376.11224	0.6
377.12183	0.8
603.21924	100.0
604.22223	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	603.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93614	2.3
69.94010	2.4
88.61057	1.1
93.53769	1.1
98.22739	1.7
143.76894	1.5
163.03873	1.5
223.82159	1.1
227.05098	1.4
299.99750	1.4
354.17957	1.9
355.18692	7.9
383.22733	1.5
517.23993	5.4
541.24194	1.9
559.25134	26.3
585.22882	2.3
603.23950	100.0
604.24292	2.7
621.33691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93614	2.3
69.94010	2.4
88.61057	1.1
93.53769	1.1
98.22739	1.7
143.76894	1.5
163.03873	1.5
223.82159	1.1
227.05098	1.4
299.99750	1.4
354.17957	1.9
355.18692	7.9
383.22733	1.5
517.23993	5.4
541.24194	1.9
559.25134	26.3
585.22882	2.3
603.23950	100.0
604.24292	2.7
621.33691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
61.87713	0.5
67.05510	1.0
68.93929	0.4
69.75145	1.2
69.75490	0.7
79.05489	1.4
81.07053	0.9
83.04991	0.6
91.05465	2.8
93.07040	1.4
95.04946	3.8
95.08566	0.6
97.06519	0.4
97.21020	0.4
99.36849	0.4
105.07023	3.7
107.04960	0.6
109.06499	1.3
117.07005	0.9
119.04889	0.5
119.07818	0.4
119.08593	2.5
120.08994	0.4
121.06509	0.8
123.04166	0.6
123.08025	0.5
128.06218	1.8
129.06975	1.4
131.04924	1.0
131.08577	1.5
133.06499	0.9
133.10124	0.8
141.07025	0.5
142.07727	0.5
143.08575	2.1
145.06494	1.1
145.10109	1.2
147.08020	2.0
149.09613	0.5
157.10150	0.7
159.08057	0.4
159.11703	0.7
161.09622	1.1
165.09056	0.4
169.10135	0.7
171.08038	1.6
187.11115	0.9
194.00851	0.4
204.48335	0.5
223.09390	9.6
269.11490	1.1
329.13513	7.6
343.15173	1.1
347.14517	0.5
403.17255	100.0
404.17548	2.7
602.41876	0.5
603.27576	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	603.287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88593	3.6
154.90047	3.2
163.67529	3.3
188.13747	4.0
277.08719	5.7
321.12485	100.0
347.86151	3.5
511.34790	3.6
571.17242	4.4
603.23138	4.0
616.00531	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	603.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.7
69.16580	8.3
79.10888	1.2
85.95623	1.5
93.07049	1.1
100.11254	1.5
124.85152	1.3
156.53329	1.1
207.06519	1.2
221.13564	1.4
349.09247	2.0
355.24564	2.2
441.24466	12.4
517.29724	2.5
559.30847	19.5
603.29535	100.0
604.29858	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	603.2989
Annotation	His Gln Tyr Arg
Peak:m/z	Relative Intensity
69.03445	1.7
69.16580	8.3
79.10888	1.2
85.95623	1.5
93.07049	1.1
100.11254	1.5
124.85152	1.3
156.53329	1.1
207.06519	1.2
221.13564	1.4
349.09247	2.0
355.24564	2.2
441.24466	12.4
517.29724	2.5
559.30847	19.5
603.29535	100.0
604.29858	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	603.3136
Annotation	Withalongolide K
Peak:m/z	Relative Intensity
51.09295	0.7
55.05504	2.2
81.07068	1.7
83.04979	2.2
91.05494	1.8
91.65627	0.9
93.07035	1.6
95.08639	0.8
105.07021	2.7
105.12660	0.7
107.08592	1.9
109.10176	0.8
116.85526	0.7
117.07027	1.6
119.08608	1.0
123.18209	0.8
131.08577	2.7
145.10081	4.7
153.59288	0.7
159.11702	2.0
201.16364	1.9
203.05232	8.5
223.09399	1.1
323.20016	1.1
359.93469	0.7
423.25000	100.0
424.25345	3.7
425.26535	1.8
503.25778	1.3
603.31311	83.8
604.31586	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	603.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35931	1.3
53.03951	1.8
55.05508	18.7
65.03913	2.0
67.05500	19.1
69.03429	2.8
69.07084	1.3
69.49136	2.5
69.49522	2.5
71.04984	1.9
72.41364	1.1
79.05486	12.2
81.07049	18.6
83.04974	42.7
85.06528	1.7
91.05473	22.3
91.05993	2.2
93.07043	14.7
95.04955	10.1
95.08616	5.6
97.06522	1.7
101.06017	2.9
105.07022	37.8
106.07335	1.2
107.04953	1.2
107.08585	10.9
109.06496	3.6
109.10144	3.3
115.05446	4.3
116.06219	1.9
117.07024	15.9
119.08561	16.3
121.06471	5.2
121.10143	2.0
123.08031	2.1
128.06203	15.7
129.06999	16.9
130.07785	8.2
131.04910	1.3
131.08556	26.0
133.06468	3.3
133.10094	10.4
135.08037	3.9
137.09584	5.1
141.06981	4.1
142.07770	11.0
143.07410	2.6
143.08545	45.7
144.09264	1.7
145.06473	4.5
145.10109	69.4
147.08049	6.8
147.11661	5.3
149.09605	9.7
151.07478	1.4
153.06981	4.1
154.07791	2.0
155.08530	21.5
156.09363	6.3
157.10112	28.6
158.07224	1.4
159.08008	2.4
159.11674	10.6
159.14543	1.2
161.09601	19.2
161.13248	4.3
165.06996	7.4
166.07855	1.4
167.08501	3.3
168.09386	1.3
169.10106	5.2
170.10870	4.7
171.08031	4.4
171.11685	10.2
173.09607	34.2
173.13206	1.3
174.10161	1.3
175.11169	3.7
175.14798	3.8
178.61055	1.2
180.09299	6.5
183.10135	2.9
183.11702	3.0
184.08783	1.9
185.13243	35.6
187.11153	3.6
189.09061	2.2
189.12737	3.8
191.10678	2.5
195.11671	17.7
198.10466	2.4
201.12717	6.0
203.14311	18.3
213.10640	2.4
213.12711	39.3
219.13777	3.1
231.13774	100.0
232.14067	1.5
249.14790	8.7
265.31479	1.2
293.88055	1.3
316.78137	1.5
385.23480	1.6
403.24741	3.9
542.09351	1.5
603.32513	1.7
613.96478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
54.99401	0.4
60.23801	0.4
65.03931	3.2
66.62287	0.5
67.05489	1.3
69.03421	1.4
69.41163	2.4
81.03410	3.6
82.04204	1.0
85.02911	3.0
86.42979	0.4
93.03413	0.9
95.04952	1.9
97.02866	0.6
97.06497	1.0
107.04868	0.6
108.02075	0.6
109.02905	0.8
110.03625	1.4
111.04427	1.3
123.04430	2.2
125.05962	1.1
131.04950	0.8
135.04352	1.0
136.04807	0.6
138.03090	1.2
139.03899	1.2
140.04684	6.3
153.05499	2.2
155.07043	2.8
159.04486	0.6
163.03889	2.6
164.04286	0.7
167.07030	2.6
171.06497	4.8
177.05469	1.9
181.04935	100.0
182.05267	1.0
198.05005	0.4
199.05981	8.0
209.07996	1.1
211.05952	1.0
223.02626	0.5
239.07034	1.3
290.59354	0.5
297.07651	0.5
325.09140	5.4
343.10211	5.8
371.71518	0.5
597.13501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.05508	33.4
57.03424	2.5
57.07056	0.7
59.04984	0.6
65.77625	0.5
67.05502	3.5
67.87425	0.6
69.03420	4.2
69.92393	0.5
70.71684	0.6
71.04984	17.7
73.06538	1.4
79.05485	3.2
81.03404	11.7
81.07101	1.1
83.04973	100.0
83.45193	0.6
84.05318	1.0
85.02898	7.1
85.06535	19.8
87.04448	0.8
91.05479	2.3
93.07063	3.2
95.04966	1.0
97.02876	8.2
98.22666	1.2
99.04448	52.9
99.08069	1.2
101.06013	13.3
105.06986	3.2
107.04959	1.8
107.08591	3.9
108.04456	0.8
109.02875	11.5
109.06519	0.7
111.04426	2.4
117.05491	2.0
117.07027	1.5
119.08567	2.4
121.06516	0.8
121.10139	2.2
125.05963	1.8
127.03903	12.7
129.06976	0.8
131.08566	11.2
133.06471	0.8
135.04401	1.0
135.08006	0.8
135.11688	0.7
137.06003	0.9
137.09589	0.8
141.05478	0.7
143.06990	1.0
145.04910	4.7
145.10117	5.6
147.08044	0.9
147.11647	0.7
149.05989	0.8
149.09605	10.7
153.05466	1.1
161.05957	1.8
163.07568	0.7
163.11188	3.5
165.09151	1.6
167.10663	6.6
173.09630	1.0
179.07066	1.5
181.08588	7.8
185.08081	0.9
189.05472	1.4
191.10649	17.1
197.08118	0.8
197.11670	1.0
199.09631	15.1
199.11369	1.2
207.06447	3.2
209.08328	3.0
209.11705	23.0
210.12149	0.9
211.62364	0.6
217.10733	1.6
218.74553	0.6
225.07620	1.4
227.09254	10.0
227.12746	33.1
228.13104	0.8
243.08603	1.7
245.10187	20.2
261.09637	1.3
271.11600	0.6
307.11752	1.3
325.12805	10.7
343.13965	2.4
345.08450	0.7
356.38818	0.7
448.62830	0.7
604.44263	3.6
605.23016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.05505	37.1
57.03415	1.7
57.07071	5.8
59.04994	0.9
67.05199	1.0
67.05501	9.1
69.06702	1.2
69.07064	15.0
69.29387	3.9
71.08614	3.2
73.06538	2.1
79.05472	2.6
81.07050	29.8
83.04973	100.0
83.08623	6.0
84.05356	1.0
85.02882	2.4
85.10188	1.1
95.08598	37.6
96.08923	1.5
97.10155	7.7
101.06008	17.8
107.08599	1.3
109.10143	14.1
111.11713	8.6
113.09685	1.3
117.31379	0.8
123.11687	14.0
125.13230	2.7
137.13232	12.6
151.14804	13.5
154.79637	0.9
158.72873	0.8
163.87848	0.9
183.10152	33.5
196.61760	1.0
201.11176	5.5
207.21054	12.9
225.22139	14.6
226.10565	0.9
325.27359	4.1
425.32617	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	605.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
65.66268	1.3
69.03416	3.2
71.42834	2.2
75.09076	1.3
77.32437	1.6
81.03410	4.7
85.02895	6.3
87.00822	2.4
97.02860	2.8
103.46016	1.6
105.01848	1.8
107.08574	1.9
109.02861	3.0
127.03924	2.7
137.05946	3.5
144.05731	1.7
151.03931	19.2
151.05043	3.6
159.02925	1.7
159.08014	2.1
161.09645	1.7
166.17599	1.7
168.26103	1.5
197.31721	1.5
205.06607	1.4
215.07021	5.6
223.11186	1.5
235.07690	1.5
240.07713	4.5
251.10620	5.0
253.08572	2.5
255.06480	2.3
260.68726	1.5
263.06827	2.2
264.07730	2.0
268.07367	16.2
269.07529	1.9
270.08813	4.2
279.06790	2.3
279.10159	5.1
280.14230	2.1
283.09634	27.0
283.13229	9.0
284.10162	2.3
291.06512	2.1
293.11758	2.7
298.08487	2.1
298.15244	1.8
306.08871	6.6
307.09631	5.6
311.09174	32.3
311.12759	3.6
321.11224	12.0
324.09866	3.4
339.12247	32.5
357.13303	100.0
358.13821	3.4
425.79651	1.7
486.97705	1.9
561.26794	3.4
605.18884	8.9
605.25800	11.3
606.25525	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	605.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16748	0.3
51.08145	0.3
53.73343	0.3
54.65789	0.3
55.01870	0.6
59.31505	0.3
60.37059	0.3
66.04730	0.4
69.30899	0.3
71.41874	0.3
71.42257	0.3
78.33744	0.3
79.05505	0.5
81.03381	0.4
86.09676	0.4
91.05471	0.8
94.04165	1.2
95.04919	0.3
96.72911	0.3
102.46559	0.3
107.04877	0.3
115.05453	1.1
117.07018	0.9
122.03628	5.1
131.05022	0.3
137.05968	100.0
138.06282	1.7
141.05426	0.4
143.04916	6.1
145.06479	0.5
151.03900	18.6
151.04991	1.5
163.03909	0.7
165.05518	0.4
165.06989	0.3
175.07526	1.7
191.07013	0.3
193.14185	0.3
203.06944	1.6
205.08578	2.4
211.07127	0.5
240.83508	0.3
310.98822	0.3
321.11090	0.8
327.12250	8.4
339.12302	1.0
357.13287	55.6
358.13562	2.7
605.19006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08956	0.3
55.16817	0.4
65.62411	0.3
67.05500	0.4
69.15857	0.6
69.16253	1.9
87.04456	3.7
88.04829	0.4
103.33589	0.4
103.93611	0.4
139.03627	0.4
140.04471	0.4
163.03943	1.3
164.04227	0.7
185.05669	0.6
189.05223	10.0
190.05980	1.0
194.09384	0.5
198.05017	0.4
198.46335	0.4
203.06827	1.4
216.07591	1.5
217.08359	1.1
234.08643	1.6
287.12509	0.8
301.10483	3.3
315.11993	0.9
316.09091	0.8
316.12784	12.7
317.13684	1.4
318.10654	0.6
329.13654	0.5
345.23727	0.7
349.12573	1.0
359.11111	0.7
363.10529	3.3
377.12064	1.1
378.12817	6.1
379.13416	0.7
391.13980	0.5
443.17245	0.5
461.17691	0.8
472.03363	0.4
503.18927	0.8
513.21216	0.4
524.13019	0.8
543.21991	18.7
544.22485	1.0
545.19788	0.9
587.21136	0.9
605.21997	100.0
606.22363	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	606.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97558	5.6
56.63069	5.4
69.10263	43.7
78.34200	6.1
78.39324	5.7
87.27871	5.6
107.75060	6.0
176.01720	8.0
256.25543	7.0
277.12262	13.6
295.13257	100.0
315.92609	7.3
388.44302	7.2
463.56616	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	606.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	22.1
67.05505	38.0
69.03420	8.6
69.07063	24.9
70.06577	5.7
71.04978	11.0
79.05486	30.6
79.63427	4.6
81.07051	100.0
83.04964	7.0
85.02898	9.1
87.04446	10.5
91.05460	29.3
93.07037	64.5
95.04944	9.8
95.08602	53.1
97.06550	8.3
97.10155	5.4
98.23418	12.9
99.08075	9.1
104.05294	5.0
105.07016	40.8
107.08586	63.1
109.06511	6.7
109.10155	64.7
111.08086	4.0
117.07028	10.7
119.08567	62.5
121.10142	34.7
123.11698	8.1
125.09618	17.5
127.11224	9.6
131.08569	12.9
133.10124	28.8
135.11678	46.8
137.09599	5.4
137.13272	5.6
139.11169	9.4
143.08556	9.4
145.10115	32.8
147.04376	6.4
147.11671	22.9
149.13234	18.3
151.11244	6.0
155.10680	11.1
157.10124	19.4
159.11670	35.0
161.13272	27.3
163.11157	5.2
163.14778	5.6
165.12720	8.6
171.11670	15.3
172.19960	4.5
173.13271	17.3
175.14780	8.0
183.01913	4.8
185.13246	12.6
187.14766	9.9
189.16389	4.9
199.14789	12.8
201.16357	20.6
203.17899	6.6
209.15425	7.9
213.16347	26.6
217.15808	5.4
219.17410	10.2
260.62061	5.0
269.22733	29.9
287.23694	22.4
305.24728	7.1
312.08459	5.5
377.90948	4.5
570.42053	5.3
606.15393	14.7
607.20203	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	606.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96664	0.7
61.01127	2.3
64.38048	0.8
69.04097	0.8
71.04971	1.0
71.76373	0.7
72.38336	0.8
73.02916	1.6
73.04748	7.2
73.06552	1.2
75.02695	1.1
77.00172	1.6
77.00599	28.5
79.02167	2.2
83.66639	0.8
87.04463	1.6
89.06024	12.3
91.02142	0.9
91.05798	9.6
91.21644	0.9
93.03700	1.2
95.01637	89.6
99.02681	2.0
103.02124	1.0
105.07011	1.9
113.02708	2.7
114.07383	1.5
115.33717	0.9
117.03701	1.8
117.07340	6.7
117.09120	2.0
118.03206	8.2
119.01604	4.9
121.03173	9.4
133.08626	3.1
145.06783	21.3
145.07913	1.4
147.04707	100.0
148.05011	1.0
156.47418	0.8
159.10295	1.0
161.09911	4.5
165.05765	14.2
169.03496	2.9
182.43639	0.9
188.07368	1.6
189.09404	11.0
191.07324	33.3
221.08492	1.1
233.12003	2.3
235.09930	6.0
239.09418	10.1
277.14594	1.4
279.12460	1.9
298.13333	0.9
299.36298	0.8
367.17670	1.0
409.22501	6.8
450.02963	0.9
459.28522	0.9
547.22797	1.0
607.25244	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98164	0.5
53.03939	2.5
53.80582	0.5
54.54977	0.5
55.01871	3.6
57.03425	2.6
61.02916	2.7
68.99764	1.2
69.03422	8.4
70.70813	1.2
71.04978	2.8
73.02910	2.8
79.05473	1.0
81.03413	9.5
81.07093	0.6
85.02900	19.6
85.03413	1.1
87.00813	7.8
87.04440	0.7
91.05474	2.2
94.04178	3.4
95.04955	1.0
97.02885	15.4
99.04454	5.0
103.05449	1.7
105.01853	6.0
107.04956	0.9
109.02865	8.1
109.06499	1.7
115.03922	4.2
115.04668	0.6
115.04796	0.6
115.05441	4.2
117.01801	0.7
117.06998	0.8
122.03632	6.4
125.02331	0.5
125.05975	0.8
127.03905	13.1
128.06203	1.0
129.01846	0.8
129.06989	4.7
131.04929	3.7
133.02808	1.2
133.04979	1.1
137.05963	100.0
138.06285	1.3
138.82927	0.5
143.04904	6.0
144.05679	1.4
145.04936	7.3
145.06480	1.4
147.02905	0.9
149.05977	1.3
151.03891	1.8
151.07547	5.6
153.05420	1.3
155.93466	0.5
157.06450	5.1
159.02910	3.8
160.05185	9.6
161.04445	2.9
161.05905	1.8
163.03908	0.8
163.07530	4.0
172.05168	2.6
174.06720	2.6
175.07526	60.4
176.07953	1.1
177.05444	1.2
177.09146	1.0
179.05537	0.6
179.07002	0.8
185.05977	0.6
187.07524	26.2
188.08064	0.8
189.09085	9.5
191.10672	0.8
199.07520	1.0
201.03922	0.7
201.09088	2.7
203.08543	1.1
205.08595	9.8
205.10410	1.0
211.07536	2.0
217.08534	5.1
219.04990	1.3
219.08009	1.7
219.10167	5.0
227.06952	1.1
231.05090	1.5
231.08040	1.2
235.09570	7.3
239.06953	2.0
240.07819	1.0
241.08517	0.7
247.04402	1.6
247.07498	0.9
248.08350	2.9
251.10681	0.8
255.06509	1.5
256.07315	1.1
259.07480	0.7
260.08469	0.6
261.09149	1.2
263.10751	3.1
264.07895	1.0
265.08615	1.1
268.07468	0.7
270.08765	4.0
271.09552	7.9
276.07703	1.2
277.08411	1.3
279.09940	2.6
283.09683	1.6
291.10077	7.6
293.08197	0.6
293.11597	0.9
296.10287	0.7
305.11844	0.6
308.10516	0.8
311.12714	3.2
323.12750	9.0
325.14279	3.8
341.13797	9.4
357.13260	0.7
378.85822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
69.07074	1.1
71.28368	0.5
79.05470	0.5
81.07045	1.4
83.04967	1.5
85.02895	0.6
91.05474	0.5
93.07024	1.1
95.08582	1.1
97.02876	0.4
101.06011	0.8
105.07021	0.9
107.08575	1.0
109.02881	0.5
109.10147	0.5
119.08595	0.5
121.10091	0.7
123.11628	0.6
127.03922	0.5
142.97368	0.6
145.11774	0.4
255.06256	3.2
287.10233	0.5
315.84882	0.4
323.25845	0.7
347.08313	0.4
347.12469	9.3
391.11499	100.0
392.11862	3.3
468.54086	0.4
529.46497	0.4
563.22711	1.0
607.21716	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	607.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46431	1.5
54.06514	1.5
67.05501	2.8
67.64577	1.4
69.03420	1.7
69.07059	4.1
71.41120	1.5
75.04456	1.5
81.03413	3.5
81.07037	6.0
83.04967	1.8
83.08611	1.6
83.94572	1.4
85.02885	2.7
85.06538	1.5
89.03909	9.2
91.05469	2.9
93.07036	5.6
95.04954	3.0
95.08597	3.5
97.06509	1.4
105.07005	3.4
107.08565	2.8
109.10130	2.9
111.11692	1.6
117.03378	19.8
117.06994	2.2
119.08566	2.4
121.06564	1.7
121.10150	2.1
123.11599	1.6
133.10147	2.5
134.03604	1.9
135.04362	1.5
143.07014	1.6
145.01692	3.0
145.02840	59.6
147.04337	2.0
149.05991	5.3
159.08011	1.5
161.05869	1.7
163.03838	2.0
175.03954	2.6
177.05449	100.0
178.05794	3.0
180.15100	1.4
207.06497	5.9
212.27339	1.4
305.24664	3.2
323.25726	2.7
339.10611	3.6
341.92413	1.9
345.04929	1.8
607.26526	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05505	7.4
56.96561	38.8
57.03432	2.2
65.03936	1.8
65.37549	1.3
67.05505	12.1
68.98211	1.1
69.03426	3.1
69.07050	2.8
71.04954	2.4
79.05483	12.1
81.03406	5.2
81.07049	14.5
81.59334	1.2
83.04980	8.1
83.08622	2.1
84.96010	2.1
85.06532	9.0
89.48978	1.5
91.05473	27.6
93.07041	14.9
95.04964	15.0
95.08587	5.2
97.06502	3.1
98.97565	14.1
99.04389	1.8
99.05599	1.9
100.11269	2.0
101.06007	2.9
103.05441	2.5
105.07021	29.4
107.04926	4.8
107.08588	9.7
109.06509	2.8
115.00675	3.7
115.05418	4.6
116.98615	10.2
117.07014	21.7
119.08584	10.2
121.06491	2.9
121.10127	3.9
122.13271	1.3
123.08020	1.7
127.03898	2.2
128.06219	9.5
129.06990	13.8
130.07800	6.5
131.04916	3.1
131.08548	18.6
133.01669	2.1
133.06496	16.7
133.10120	5.9
134.99666	7.1
135.08034	2.7
135.11610	1.6
136.86455	1.4
139.00748	4.5
141.02238	1.9
141.06960	3.2
142.07747	4.8
143.00156	3.2
143.08572	13.2
144.05785	1.5
145.06488	6.7
145.10120	26.6
147.08022	3.2
147.11650	2.1
149.09607	5.0
149.13210	3.0
153.06984	2.9
154.07780	1.4
155.08557	9.5
156.09264	1.6
157.01724	14.7
157.10143	5.1
158.07259	1.9
159.03258	1.6
159.08064	1.8
159.11620	3.4
161.01244	2.9
161.09628	3.4
161.13264	2.2
165.07019	3.1
169.01772	1.5
171.08035	6.5
171.11714	2.4
173.09618	28.3
175.02773	50.3
175.11230	1.7
179.03841	1.5
182.52820	1.5
183.03362	2.6
185.13220	5.3
187.02742	2.2
187.04266	2.1
187.11090	2.1
189.12662	2.3
191.03731	1.5
191.10614	6.5
193.03848	17.7
195.03282	1.9
195.11769	3.1
195.13655	2.9
197.04875	2.1
198.04379	1.8
198.10405	1.4
199.02704	1.5
203.03807	2.6
205.05309	3.8
209.04886	2.9
213.12727	5.8
214.74571	1.3
217.03558	1.8
217.05396	5.0
221.04839	3.2
223.06345	1.7
227.05869	2.3
229.05307	6.7
231.13803	7.2
235.06500	6.4
239.05818	1.6
243.06848	2.9
245.08575	2.6
247.06381	12.3
249.14861	2.8
253.07436	2.4
259.06366	2.0
261.07913	4.0
265.07349	6.7
269.08435	7.7
275.09451	2.7
279.08917	2.0
287.09515	36.7
289.07382	1.8
299.09134	1.6
305.10596	21.6
323.11469	2.9
329.10428	3.6
339.17691	1.5
347.11649	35.7
365.12735	15.5
369.13535	3.8
387.14755	100.0
388.14822	5.9
395.20764	1.6
405.15808	56.4
406.16019	2.2
428.17532	9.4
447.16934	26.6
465.18011	2.2
487.19818	3.2
547.22455	2.2
607.25720	1.8
607.34924	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	607.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.2
67.05457	3.2
69.03388	0.8
69.07046	1.3
70.26504	1.5
79.05455	2.1
81.03363	2.5
81.07035	3.6
89.39154	0.8
91.05453	2.1
93.07008	2.9
95.04925	1.0
95.08565	1.4
105.06984	2.2
107.08575	1.7
109.02837	1.2
110.27689	0.9
112.82674	0.9
117.06957	1.1
119.08546	1.0
129.06996	1.1
131.08542	1.7
145.09995	1.2
159.11617	0.8
165.12721	0.8
195.13780	1.0
299.08890	100.0
300.09116	2.6
342.58765	0.8
347.12531	31.9
607.25067	49.5
607.34302	3.2
608.25397	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	607.2546
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.44469	0.4
55.80461	0.4
67.05494	0.8
71.43497	0.6
74.09702	1.3
76.01355	0.4
79.05491	0.7
81.07038	0.7
89.99719	0.5
91.05488	0.6
93.07048	0.7
95.08585	0.8
115.69971	0.5
119.08569	0.5
131.96907	0.5
158.36591	0.4
197.45143	0.4
257.15384	0.6
290.18756	0.7
299.20212	1.0
311.20288	0.7
339.23221	0.8
373.14816	0.6
374.14972	0.6
375.15689	0.6
386.47504	0.5
388.16833	1.2
389.17685	2.5
390.18216	1.4
391.19302	0.9
401.17737	0.9
402.18671	0.8
403.14615	0.7
403.19461	3.8
404.19965	1.4
405.20743	2.9
416.16119	0.9
417.16141	3.1
417.21152	2.0
418.17279	1.0
418.21967	1.0
419.22546	5.7
430.17627	0.9
431.18219	7.2
432.19028	3.3
433.19986	3.6
445.20209	4.9
446.20892	7.2
447.21591	8.4
448.22467	0.7
459.17551	1.3
459.22693	0.8
460.18314	1.1
461.19662	1.6
462.24826	0.6
473.19257	0.8
474.20370	5.2
475.21133	4.3
476.21469	0.8
478.23560	0.8
487.21219	1.6
490.23264	0.6
491.20245	2.7
501.22519	0.7
504.21552	0.8
506.22717	0.9
519.24011	13.4
520.24365	1.0
547.23346	11.7
548.23462	0.9
579.26093	5.6
607.25403	100.0
608.25677	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	607.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46317	1.1
51.81960	1.1
62.61119	1.1
66.59098	1.0
105.07048	1.5
185.04196	1.4
227.05246	1.7
245.06244	2.9
289.05453	5.1
294.96719	1.2
356.45990	1.6
359.21902	2.9
423.02936	1.2
471.95947	1.5
514.58203	1.3
521.26996	7.6
533.27338	2.8
545.26617	1.4
561.84106	1.3
563.28363	15.2
607.27246	100.0
608.27179	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	607.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46317	1.1
51.81960	1.1
62.61119	1.1
66.59098	1.0
105.07048	1.5
185.04196	1.4
227.05246	1.7
245.06244	2.9
289.05453	5.1
294.96719	1.2
356.45990	1.6
359.21902	2.9
423.02936	1.2
471.95947	1.5
514.58203	1.3
521.26996	7.6
533.27338	2.8
545.26617	1.4
561.84106	1.3
563.28363	15.2
607.27246	100.0
608.27179	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	607.2914
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
66.55511	5.4
73.96822	5.4
79.85953	4.9
118.98290	7.5
150.19034	5.6
168.69919	5.8
284.07895	6.0
325.50919	5.4
330.67123	6.0
386.00116	5.9
433.23593	9.4
445.19864	8.2
446.78891	6.5
450.73511	5.5
460.22635	12.5
461.23145	10.9
514.19592	5.7
547.27014	37.3
607.29077	100.0
608.29510	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	607.2911
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
52.74827	0.6
57.40639	0.5
58.82165	0.5
69.78187	0.8
69.78537	1.6
87.73447	0.6
92.80567	0.6
159.89651	0.5
160.89731	0.5
227.90929	0.6
240.31604	0.6
402.18350	1.0
403.19180	2.2
405.20767	1.1
416.20081	0.7
417.16263	1.1
417.20813	2.1
418.21515	1.2
419.22357	2.3
430.17108	0.6
431.18011	5.2
432.19223	0.9
433.24121	6.0
434.24417	0.6
445.19843	6.7
446.20755	3.1
447.21829	2.3
459.21506	3.3
460.22452	6.8
461.23267	8.0
462.23535	0.7
473.23535	1.5
505.22610	1.1
515.24451	0.8
519.27722	1.5
528.70557	0.7
532.24280	0.8
547.27014	32.9
548.27216	2.7
575.26074	0.9
579.29413	0.7
607.29089	100.0
608.29333	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	608.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01862	2.1
55.05508	27.8
57.03428	1.7
67.05491	5.9
69.03408	2.2
69.07961	11.2
71.04974	3.0
75.51962	1.4
79.05457	7.8
81.07048	5.1
83.04973	57.1
85.06519	2.2
91.05469	30.4
91.06405	1.4
93.07052	9.9
94.06574	1.9
95.04961	14.4
95.08614	3.0
97.06544	2.1
98.23531	2.8
103.05393	1.5
105.07019	31.0
107.04931	1.8
107.08578	3.0
109.06480	2.5
109.52190	1.4
113.85284	1.6
115.05452	10.6
116.44786	1.4
117.07009	45.6
117.07806	2.9
119.04944	2.3
119.08573	10.1
121.06505	3.8
121.10139	2.2
128.06195	19.0
129.06992	36.8
130.07819	8.5
131.07535	1.9
131.08551	39.4
133.10114	9.1
135.08000	2.5
141.07001	7.6
142.07762	7.0
143.08546	37.5
145.06421	7.2
145.10110	39.7
145.11226	3.0
147.08040	5.0
147.11749	1.8
149.09586	2.6
153.06995	4.9
154.07759	4.0
155.06036	1.4
155.08539	23.8
156.09332	7.4
157.10114	18.1
158.07262	6.2
159.08034	7.0
159.11703	7.6
161.09619	8.6
161.13257	3.5
165.07007	4.4
167.08511	1.5
169.10080	5.4
170.10884	2.1
171.08049	4.0
171.11662	14.7
171.12901	2.0
173.09605	100.0
174.10030	2.0
175.11188	5.5
180.09319	2.9
183.08018	3.9
183.10136	3.5
183.11658	2.1
185.09663	2.3
185.13220	20.3
187.11180	4.0
189.09172	1.7
189.12717	4.3
191.10822	1.8
195.11708	10.8
197.09575	2.2
198.10361	5.8
203.14342	8.2
213.12715	46.9
213.14648	2.9
230.15480	3.0
231.13777	53.0
248.16499	2.5
248.21907	1.8
273.14795	8.4
313.17542	2.0
331.18842	2.2
469.50113	1.5
517.17285	1.4
539.21155	1.5
543.04083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55522	2.2
52.81819	2.1
53.03934	5.0
55.01862	5.2
55.05508	14.5
55.52052	2.7
57.03430	3.5
57.07065	7.2
57.52958	2.3
60.04148	2.1
66.28407	2.3
67.05495	13.9
69.03419	10.2
69.07065	36.7
69.13229	16.2
71.04978	5.1
79.05490	11.4
81.03398	9.9
81.07056	45.6
83.08612	21.0
85.02912	20.8
85.06509	3.2
87.00829	11.8
87.04453	4.9
91.05457	10.1
93.07037	78.2
95.04955	34.1
95.08601	43.2
97.02927	3.7
97.06510	8.0
97.10152	5.4
98.23425	5.0
99.04428	4.8
105.01854	6.1
105.07014	10.5
107.08588	27.5
109.02876	7.9
109.06518	5.5
109.10141	24.5
111.08064	7.7
111.11714	4.7
117.06914	2.5
119.08569	8.7
120.08088	5.8
121.10135	27.7
122.06017	5.7
123.11700	26.9
125.09615	3.5
125.13229	2.5
127.03883	8.8
131.08542	4.6
133.10123	4.4
134.40875	2.3
135.11710	9.7
137.13231	7.3
139.11176	3.5
145.10133	3.6
147.11627	11.4
148.07559	10.4
149.13249	17.4
150.09019	2.7
159.02939	5.1
159.11662	9.6
161.13261	3.4
165.12718	2.8
167.14275	11.6
175.14891	2.7
185.15385	10.7
204.06615	3.5
229.08318	3.6
235.20517	3.3
237.10182	3.3
239.11787	4.0
249.10297	3.9
251.11717	4.2
261.25699	3.5
263.11774	11.8
265.13364	4.2
271.24185	7.4
274.32471	2.8
279.11188	3.9
279.20322	2.7
289.25275	29.4
291.11331	6.3
293.12827	7.1
295.26303	33.0
297.12390	3.3
307.26309	100.0
309.12357	6.6
319.10800	4.0
325.11874	4.1
325.27408	14.6
337.11743	22.7
338.12155	2.7
343.28412	5.1
351.13220	2.6
357.14462	5.6
369.14417	4.0
385.14658	7.0
468.18787	2.6
472.18848	3.3
473.17712	3.7
532.20532	7.3
564.23187	4.2
576.19720	6.8
591.15570	3.3
591.24152	48.8
608.21503	3.4
609.25317	4.8
639.86322	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	608.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18893	2.0
55.01870	2.9
55.05505	18.5
57.03431	1.7
64.99306	1.6
67.05510	10.2
69.07057	3.9
69.07972	1.9
69.18124	3.5
69.18537	6.1
70.14061	1.7
71.04970	4.3
79.05482	13.0
79.62659	1.6
81.03432	1.7
81.07042	12.3
83.04975	11.6
85.06507	2.9
91.05468	43.9
93.07040	14.4
95.04523	1.7
95.04978	19.7
95.08588	8.9
97.06512	3.1
97.10155	5.4
98.22735	4.2
101.06019	2.1
103.05439	3.8
104.10722	2.1
105.07017	65.2
107.04967	2.3
107.08591	9.2
107.09164	1.7
109.06509	7.9
115.05447	12.0
116.06262	4.5
117.07004	70.9
119.04925	6.2
119.08569	19.8
121.06490	7.4
121.10113	5.3
123.08036	2.1
128.06204	17.8
129.06992	43.4
130.07794	11.2
131.08554	49.8
133.06467	9.3
133.10121	21.8
135.08022	4.8
135.66577	1.6
141.06927	4.8
142.07761	14.8
143.08540	42.7
144.09296	3.7
145.06438	5.8
145.10106	78.3
146.10414	1.9
147.08017	9.5
147.11684	5.7
149.09613	6.6
151.07539	2.0
153.06950	5.0
154.07732	5.4
155.06009	2.0
155.08545	20.4
156.09344	5.8
157.10104	32.7
158.07254	2.1
159.08051	4.9
159.11685	13.1
161.09608	15.2
161.13232	3.9
163.11098	2.0
165.06964	3.1
167.08492	2.5
169.10107	5.3
170.10838	2.8
171.08037	3.9
171.11714	10.5
173.09599	100.0
173.13167	3.1
174.09987	2.8
175.11147	14.6
175.14793	3.2
177.16580	1.9
180.09282	1.8
183.11682	3.1
185.13240	35.6
187.11162	5.1
189.12724	7.0
190.08911	1.8
191.10648	18.5
195.11583	10.3
201.12708	3.8
203.14316	17.8
213.12714	29.7
219.13760	2.4
231.13783	54.2
249.14806	8.0
252.90034	1.9
315.19485	4.1
362.93356	1.8
430.55194	1.8
440.06161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
53.74751	0.3
57.03409	0.4
59.44469	0.3
68.99791	0.3
69.03430	2.6
69.07047	0.4
69.89999	0.7
69.90333	0.5
73.02906	0.4
79.05489	0.3
81.03396	2.4
81.07057	0.7
85.02900	2.0
87.00791	0.7
88.81987	0.3
97.02872	0.8
98.23405	0.6
101.46690	0.3
109.02872	1.4
127.03920	1.5
135.04411	0.8
137.02322	2.8
145.02780	0.3
145.04930	0.4
147.04419	0.6
161.09503	0.3
163.03830	1.3
175.03795	0.4
175.11626	0.4
177.05603	0.3
183.02992	0.8
187.05927	0.3
203.03384	1.5
217.09976	0.3
229.04993	0.6
242.05656	0.5
243.06557	0.6
245.06316	0.4
247.05927	0.5
254.05704	0.8
257.04401	3.6
260.03180	0.9
270.05353	1.6
271.05972	2.6
272.06848	0.5
273.07758	0.3
281.04208	0.4
282.05078	1.6
282.11484	0.4
283.06003	5.6
285.03900	17.1
286.04474	0.6
288.02545	0.8
289.05231	0.9
298.04657	0.7
299.05496	4.3
300.06250	5.9
302.04263	0.7
303.04938	18.6
310.04758	0.8
311.05466	10.4
312.02713	0.5
313.03378	0.8
314.04300	0.4
315.05078	0.7
316.05566	0.6
317.06329	1.7
327.04962	5.6
328.05725	21.0
329.06207	1.5
330.03772	0.5
331.04480	3.2
343.22424	1.3
345.06027	24.8
346.06763	8.7
360.08344	0.8
361.09131	100.0
362.09418	3.0
403.10342	0.8
523.14429	18.1
524.14600	0.6
565.15485	14.9
565.28406	1.6
566.15314	0.8
591.13495	4.8
591.27216	0.8
609.14276	17.6
609.28503	5.9
610.14960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09338	1.7
63.28456	1.6
70.31727	4.3
91.05772	2.4
98.22735	2.0
119.77875	1.8
137.82333	2.1
214.79774	2.1
272.48441	1.7
287.19989	2.9
315.06256	81.3
316.06552	4.6
317.07825	100.0
451.58130	2.1
496.69144	2.0
609.27472	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46089	0.3
64.79673	0.4
69.71436	1.3
77.87913	0.3
91.05752	0.3
248.23163	0.3
301.08313	100.0
302.08664	4.0
319.09344	0.8
331.09415	4.4
332.09897	0.4
342.10962	1.4
355.06924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06125	14.9
60.05645	4.8
66.22624	2.5
70.54712	4.7
73.04729	3.0
91.05792	6.0
107.18648	2.6
115.99362	2.6
163.03964	2.9
239.06825	28.7
239.09212	5.3
255.34767	3.1
308.81409	2.8
355.07068	7.1
409.14044	100.0
410.14542	3.3
468.43774	2.8
609.24457	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
59.24537	0.5
69.07063	0.6
81.07057	1.0
85.02876	0.6
95.08611	0.8
96.10837	0.5
98.22651	0.9
102.88800	0.5
108.52793	0.4
109.10175	0.5
122.49046	0.5
122.99362	0.5
138.26880	0.5
145.02856	1.3
161.50642	0.5
163.03925	0.9
163.14835	0.5
172.30392	0.4
175.03934	0.7
177.05426	2.4
180.15692	0.5
185.76595	0.5
191.03734	0.5
207.06502	1.1
218.85188	0.5
249.10960	1.1
393.11523	1.4
493.20380	30.8
494.20868	1.3
528.70422	0.5
609.25104	100.0
610.25543	7.5
610.95123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59704	1.0
53.03959	1.4
55.05254	1.8
55.05507	25.9
57.03432	2.7
65.03951	1.3
67.05504	3.1
69.03413	2.2
69.07077	1.3
71.04992	1.8
71.42572	1.2
73.06546	1.3
75.24653	1.0
79.05494	4.7
81.07053	9.3
83.04978	68.7
84.05334	1.2
85.06557	1.0
91.05429	12.6
93.07061	7.0
95.04958	6.4
95.08628	2.7
97.06528	2.5
101.06033	4.1
104.10768	1.4
105.07027	24.2
107.04961	1.0
107.08598	4.1
109.06509	3.4
115.05437	4.5
116.06214	1.1
117.07011	14.3
119.08561	10.3
121.06499	2.1
121.10130	2.2
128.06216	15.1
129.06993	25.8
130.07819	4.8
131.04935	1.2
131.08563	26.6
133.06493	4.0
133.10127	7.8
135.08066	1.1
136.06189	2.6
141.06950	7.4
142.07780	15.8
143.08554	50.6
144.08948	1.5
145.06468	4.9
145.10115	60.1
146.10455	1.4
147.08063	4.1
147.11708	1.7
149.09607	7.4
151.07576	1.5
153.06975	7.3
154.07782	3.1
155.08545	52.4
156.09325	11.9
157.10114	39.4
158.07370	1.2
158.56044	0.9
159.08092	2.9
159.11662	6.9
161.09622	9.7
161.13277	2.9
165.07005	9.8
166.07707	1.7
167.08583	3.8
168.09265	1.7
169.10095	8.2
170.10898	6.3
171.08054	7.7
171.11665	13.9
173.09612	52.5
174.10204	1.2
175.11177	4.1
175.14804	2.5
179.08488	1.8
180.09309	11.1
183.08197	1.5
183.10161	5.0
183.11734	4.3
184.12483	2.5
185.09651	2.9
185.13243	44.8
187.11229	3.4
189.12717	5.5
191.10681	3.3
195.11673	28.5
198.10429	2.2
201.12772	2.4
203.14307	19.6
213.12729	95.6
214.13080	2.1
215.10699	4.0
223.14650	1.1
231.13785	100.0
232.14120	2.5
233.11739	3.3
239.09508	1.4
249.14796	5.1
250.15663	1.0
273.14816	10.8
285.00995	1.1
291.15775	2.1
355.06961	3.3
365.19540	7.6
609.32886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74847	0.2
69.57475	1.1
71.66868	0.3
73.04741	0.3
85.33328	0.3
91.05801	1.1
128.34669	0.3
190.06279	0.3
199.91061	0.3
223.09433	0.8
239.09404	0.3
261.09500	0.5
285.00983	0.5
304.81796	0.3
320.01633	0.3
355.07025	1.2
409.25369	1.7
505.46268	0.3
509.30801	6.0
510.31152	0.5
609.36011	100.0
610.36353	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.22202	0.3
55.01870	1.6
55.05507	14.0
57.03430	3.8
57.07068	1.8
65.03936	1.2
66.14040	0.4
67.05499	23.8
69.06702	0.9
69.07064	10.9
69.15044	2.6
71.04993	0.9
74.00195	0.4
77.03932	0.7
79.05486	15.8
81.07047	20.8
83.04965	0.9
83.08616	6.4
85.06537	1.1
91.05457	14.2
93.07039	15.5
95.04951	2.4
95.08599	18.2
97.06490	1.9
97.10154	2.7
99.08104	0.6
103.05457	0.5
105.04500	0.8
105.07019	14.6
105.07728	0.7
107.08582	11.2
109.06517	1.2
109.10149	8.4
111.08089	1.2
115.05462	1.1
116.06208	0.5
117.07009	9.0
119.08568	13.2
121.10136	7.6
121.10973	0.5
122.14573	0.4
123.08056	1.1
123.11690	3.1
125.09656	1.2
128.06198	2.8
129.05524	0.6
129.07001	10.1
129.70778	0.4
130.07823	0.6
131.08554	12.9
133.10114	10.1
135.08078	0.4
135.11671	4.6
137.09587	0.7
137.13297	0.7
140.98616	0.4
141.06961	5.2
141.28830	0.5
142.07791	3.4
143.08542	15.3
144.09337	0.8
145.10110	14.1
145.11203	0.8
147.04701	0.6
147.11659	5.8
149.07797	0.5
149.09685	0.4
149.13264	3.0
151.11368	0.4
153.07027	1.2
154.07811	1.2
154.31310	0.4
155.08537	11.1
155.09790	0.6
156.09314	1.6
157.10117	13.4
159.11674	10.0
159.12950	0.7
161.13243	3.1
163.14827	0.8
165.07010	1.2
166.07770	0.8
167.05597	0.5
167.08522	5.0
168.09369	1.7
169.10115	13.2
170.10854	1.1
171.11665	12.3
173.13231	6.0
175.14822	2.7
178.07883	0.4
179.08542	2.2
180.09306	0.7
181.10110	8.3
182.10938	1.2
183.11670	14.6
184.12398	0.6
185.13231	8.5
187.14795	4.0
189.16360	1.1
192.09352	0.7
193.10117	3.0
194.10962	1.1
195.11671	9.1
196.12482	1.1
197.13251	11.1
198.13802	1.0
199.13139	0.8
199.14809	6.2
201.16451	1.4
203.17943	0.6
205.10263	0.6
207.11720	3.0
208.12419	0.7
209.13228	8.0
209.15164	0.5
211.14815	7.3
213.12910	0.4
213.14771	0.6
213.16423	3.3
214.17046	0.5
215.14406	0.4
215.18004	0.9
219.11664	0.6
220.12497	0.6
221.13219	2.7
222.13980	0.6
223.14795	6.3
223.16823	0.6
224.15422	0.4
225.12862	0.5
225.16379	5.8
227.14374	0.5
227.16006	0.5
227.18118	3.0
229.19499	0.5
231.17450	0.5
233.13138	1.0
235.14789	2.4
236.15547	0.5
237.16409	4.1
239.17993	3.1
241.15817	0.5
241.17642	0.5
241.19591	1.3
245.19237	0.4
247.14882	0.6
247.20667	0.5
248.19270	0.4
249.16414	1.4
251.17996	2.5
253.19562	1.7
255.21329	0.6
257.19244	0.8
259.20840	0.5
261.16379	0.7
261.19040	0.4
263.17984	1.3
265.19547	1.8
267.17197	0.5
267.21341	0.7
271.20566	0.9
275.20227	0.7
277.19467	0.8
279.21225	0.7
281.22864	0.5
283.20605	0.8
293.22684	0.5
295.20551	1.0
295.24075	0.5
297.21918	0.6
299.20001	0.5
299.23560	0.6
305.22830	0.4
307.20358	0.8
309.22159	0.8
311.20190	0.6
311.23706	1.0
313.21558	0.9
315.23309	0.6
321.22049	0.9
323.23669	1.4
325.25259	0.6
327.23224	0.8
335.23740	1.4
337.25262	1.4
339.23242	0.8
339.26932	1.0
341.24738	0.5
347.23871	0.6
349.25259	1.2
351.26880	1.6
353.24738	1.0
355.07062	1.6
361.25256	0.7
363.26944	1.2
365.24554	0.6
365.28397	2.0
367.26288	1.0
369.27966	0.7
377.28345	0.7
379.25900	0.6
379.29968	1.4
385.27448	0.6
391.29834	1.2
393.27353	0.7
393.31787	0.8
395.29361	0.9
403.29572	0.5
405.31796	1.0
407.29462	1.0
409.31155	0.9
418.34741	0.4
419.33698	0.7
421.30914	1.0
423.33313	0.5
425.30502	0.5
431.33331	0.5
433.30890	0.9
435.32404	0.8
439.32529	0.4
447.32520	1.6
449.34326	0.6
475.35257	0.8
485.34338	0.5
487.34607	0.6
499.39725	2.1
501.35941	0.8
517.40381	13.3
518.40851	0.7
521.36072	0.6
523.38190	0.5
525.35297	0.7
535.41595	6.2
539.37494	1.3
541.38885	0.5
551.41302	0.6
553.40747	0.8
573.42896	1.6
591.44019	11.3
592.44794	1.2
609.45062	100.0
610.45520	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	609.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01860	1.9
55.05511	17.6
57.03425	2.4
57.07063	3.2
59.21009	1.5
65.03944	2.2
67.05501	26.7
69.07066	12.0
69.65230	2.5
69.65611	2.2
69.84090	1.4
71.04997	1.6
73.04763	3.9
79.05487	21.2
81.07053	29.4
83.04983	4.2
83.08625	7.2
91.05425	17.7
93.07041	20.2
95.04957	3.7
95.08607	27.2
97.06515	2.7
97.10168	6.2
98.22649	2.2
99.08100	1.8
100.01566	1.6
105.07027	19.4
107.08599	11.5
109.10145	10.2
111.08054	1.4
117.07011	13.6
119.08561	17.0
121.10145	7.8
123.11718	2.4
128.06239	4.7
129.06996	15.8
131.08566	17.7
133.10127	13.2
135.11694	4.3
141.06978	5.7
142.07765	4.0
143.08539	20.0
145.10110	19.0
147.11676	8.5
149.13239	2.7
153.07008	1.8
154.07750	2.3
155.08548	14.1
156.09392	2.1
157.10114	16.8
159.11678	10.2
161.13271	4.6
165.06866	1.6
167.08586	7.6
168.09244	1.7
169.10120	17.2
170.10538	1.5
171.11681	14.2
173.09657	3.3
173.13223	6.7
175.14841	2.0
179.08614	4.1
181.10100	8.4
183.11653	16.5
185.13239	10.1
187.14827	5.2
193.10193	3.2
195.11684	10.5
196.12402	2.6
197.13257	12.8
199.13304	1.5
199.14861	5.9
200.25339	1.4
201.16451	2.1
207.11703	2.9
209.13235	8.8
211.14806	9.8
213.16399	5.5
215.17970	2.0
221.13315	3.0
223.14845	6.3
225.16408	8.2
227.18132	2.4
235.14922	3.1
237.16368	4.3
239.09570	2.4
239.17972	4.6
241.19563	2.8
247.14906	1.6
249.16510	1.6
251.17921	2.4
253.19664	1.5
257.19016	2.2
263.17767	2.0
267.21304	1.4
279.21017	2.1
285.01056	3.7
299.06180	2.0
323.23837	2.2
337.25620	1.7
349.25259	1.7
351.26895	2.2
355.06903	6.6
365.28476	2.4
377.28445	2.3
431.33594	1.9
435.32855	1.8
447.32410	2.2
493.32901	1.7
499.39499	4.0
515.38080	1.6
517.40405	14.1
518.40778	1.9
535.41663	7.2
591.44202	14.2
609.45087	100.0
610.45569	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	609.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.6
55.05504	40.0
57.03423	8.5
58.61374	5.3
67.05494	72.3
68.50436	5.2
69.07056	23.8
76.41108	4.9
79.05489	64.9
81.07043	69.3
82.02245	5.8
83.04961	6.0
83.08613	18.0
85.06495	6.0
91.05426	46.8
93.07035	62.4
95.04958	15.6
95.08586	59.8
97.10202	7.3
105.04498	5.7
105.07015	50.2
107.04965	5.5
107.08588	32.0
109.06457	6.3
109.10148	24.9
114.19129	5.9
117.07018	20.9
119.08572	41.8
121.10162	24.4
128.06204	7.6
129.06989	34.4
131.08565	41.3
133.10091	30.8
135.11760	12.8
141.06990	13.1
143.08569	29.3
145.10126	39.6
147.11728	17.5
149.09662	6.5
149.13191	6.5
155.08508	30.8
156.09387	4.9
157.10117	32.1
158.13922	5.2
159.11702	31.2
161.13286	9.9
167.08537	15.7
169.10089	40.4
171.11681	21.7
173.13243	12.0
181.10159	16.8
182.10782	5.6
183.11667	26.3
185.13266	13.4
187.14758	10.8
193.10013	6.1
195.11684	12.9
197.13237	24.4
199.14857	7.9
207.11714	7.6
209.13251	15.9
211.14790	10.3
213.16437	8.7
223.14636	11.2
227.17943	8.2
237.16325	8.0
239.18066	6.9
253.19496	9.2
443.48544	5.4
517.40906	7.8
591.43915	12.6
609.45160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
63.02374	0.9
67.05505	0.5
69.03420	0.7
69.07072	0.5
69.80532	0.6
69.80909	0.7
70.06583	1.1
73.04759	1.0
74.34053	0.3
78.04721	0.8
81.03392	0.8
81.07053	1.2
83.04955	0.5
84.05602	0.5
85.02892	0.6
85.06556	0.8
87.00805	0.3
89.03912	9.6
89.04466	0.6
91.05853	2.2
93.07041	0.7
95.04968	0.8
95.08614	0.8
97.02894	0.4
97.06535	0.5
98.23349	0.4
99.04427	0.3
103.05441	0.3
105.07045	0.7
105.83617	0.3
106.04163	0.6
107.08590	0.5
109.02869	0.4
109.06484	0.3
117.03371	23.8
118.03709	0.4
119.05006	0.3
119.08559	0.3
121.06477	0.4
125.06001	0.6
126.01068	3.7
127.01801	0.3
127.03889	0.5
134.03616	1.8
135.04425	1.7
135.11633	0.3
143.07077	0.3
145.02837	52.5
145.10068	0.5
146.03197	1.0
147.04294	0.3
149.05971	7.8
149.07178	0.4
159.11620	0.3
162.03070	0.3
163.03911	2.2
167.03687	0.4
167.05507	0.7
173.08200	1.7
173.09584	0.7
177.05455	100.0
178.05833	2.2
181.05029	0.4
186.05446	0.7
187.11133	0.6
205.12299	0.6
207.04320	2.7
208.05009	1.0
209.05846	1.9
210.04297	1.6
233.11740	0.4
239.09506	0.8
245.12827	0.3
254.04300	1.2
266.99847	0.3
272.05508	0.4
285.00906	1.1
289.05188	0.3
299.06055	0.8
321.09775	0.6
339.10721	1.3
355.07022	2.3
356.07632	0.3
373.64688	0.3
432.60016	0.3
554.34802	0.3
609.27570	0.3
610.23468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.5
57.64178	4.2
66.34146	3.7
67.05495	11.2
69.03427	11.5
69.07059	14.1
71.04984	10.3
73.04750	13.4
79.05482	15.8
81.03415	7.1
81.07040	16.8
83.04971	30.7
85.02892	18.2
85.06549	9.0
91.05347	4.5
91.05779	16.7
93.07044	24.0
95.04964	16.2
95.08601	11.9
97.02879	4.9
97.06522	38.7
98.23452	8.7
99.04470	8.4
105.07023	41.1
107.04945	14.8
107.08547	18.0
109.06491	24.1
111.08051	8.2
117.07011	6.8
119.04926	17.0
119.08603	10.0
121.06514	26.7
123.08115	3.6
125.05986	59.9
127.03944	5.4
127.07580	6.1
129.07030	5.2
131.08542	11.8
133.06448	8.1
135.11757	4.5
137.05988	6.5
139.07524	12.2
143.07014	50.6
145.06465	8.4
145.10112	69.5
145.73253	3.6
147.04401	9.1
147.11674	8.9
151.07556	8.7
156.48561	4.2
157.08568	15.8
158.07246	8.1
159.08005	6.2
159.11691	36.7
163.03944	3.9
163.11189	62.6
167.05568	7.3
169.10127	7.7
173.09592	46.1
177.12758	14.4
187.11151	52.8
191.10678	21.9
197.09663	6.3
205.12241	58.9
209.11705	7.2
215.10675	68.3
223.13260	13.8
233.11702	100.0
234.12189	4.4
239.09465	6.5
241.58162	3.8
251.12779	84.0
251.43671	3.9
268.97797	6.8
269.13815	74.1
285.00845	9.5
287.05530	25.4
290.31491	4.1
299.06171	9.9
303.05032	29.5
317.06378	4.9
355.06940	16.0
463.01190	4.2
473.89844	3.6
510.65555	3.7
535.59888	3.9
544.16180	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	610.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
67.05499	5.0
68.31019	1.1
69.03428	4.6
69.07056	6.9
69.17049	7.4
71.04978	5.8
73.04740	1.2
79.05492	12.1
81.03410	1.3
81.07056	4.7
83.04973	16.9
85.02895	8.9
91.05457	10.7
93.07039	13.6
95.04954	6.6
95.08604	5.7
97.02898	3.9
97.06525	17.7
99.04433	4.2
105.07019	23.4
107.04936	12.2
107.05477	1.1
107.08590	12.7
109.06480	8.0
111.04402	1.1
113.06042	1.2
117.07003	5.3
119.08549	4.0
121.06505	17.4
121.10140	1.7
122.15945	1.1
125.05978	29.4
127.03921	1.9
130.07846	1.2
131.08577	4.8
133.06493	5.1
135.08078	3.3
135.11682	4.2
137.02341	1.2
137.05992	3.2
139.07544	4.3
143.07011	28.7
143.08612	2.8
145.04996	2.1
145.06453	3.5
145.10114	44.3
147.11674	4.5
151.07530	5.5
157.10135	1.2
158.07269	2.8
159.08086	2.9
159.11688	11.6
163.11165	100.0
164.11549	1.9
169.10141	3.9
173.09598	32.3
177.12772	3.3
187.11154	19.7
189.12697	2.4
191.10651	21.3
193.30176	1.4
197.09665	3.7
205.12201	17.5
209.11769	3.8
215.10669	22.6
233.11699	68.1
234.12181	1.3
251.12793	22.1
269.13797	19.0
303.04947	29.9
444.46988	1.4
613.87970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.2
55.05531	6.8
57.03434	7.4
67.05501	9.5
69.03426	17.1
69.07062	26.6
70.06605	5.2
70.38421	8.5
71.01321	3.6
71.05001	12.6
73.04752	12.4
76.26244	4.0
76.41409	4.3
78.50714	4.3
79.05479	25.1
81.03418	16.4
81.07052	10.1
83.04975	67.9
85.02899	24.7
91.05465	14.5
91.05885	7.4
93.07060	19.9
95.04986	9.7
95.08567	5.8
97.02889	6.5
97.06532	48.0
99.04443	14.3
105.07018	59.4
105.13042	4.2
107.04949	7.7
107.08598	16.8
107.10191	3.8
109.02897	4.1
109.06537	11.0
117.07027	10.9
117.37205	4.4
119.04900	5.1
119.08568	12.7
121.06490	37.2
125.05978	92.7
127.03960	8.9
127.34412	4.3
129.06993	6.9
130.07791	6.2
131.08566	16.9
133.06511	11.6
133.10126	9.9
135.04446	8.2
135.08080	4.4
135.11751	4.7
137.06018	6.0
137.61821	4.2
141.07098	4.1
143.07033	98.8
143.08250	7.9
143.08606	7.2
144.43538	4.3
145.06575	8.5
145.10123	89.5
147.04367	6.0
151.07504	11.5
155.08537	5.1
158.07281	9.9
159.08089	10.2
159.11700	36.6
159.90332	4.1
163.03909	6.1
163.11153	27.5
164.49315	4.4
169.10135	9.3
173.09605	72.3
177.12782	10.1
187.11176	64.3
189.12933	4.6
191.10651	32.4
196.48441	4.4
197.09651	11.6
205.12192	68.1
209.11736	13.4
215.10672	73.7
233.11716	100.0
239.09494	5.1
251.12762	55.1
268.97784	7.2
269.13806	12.6
299.06219	4.3
303.04971	36.2
355.07028	19.4
377.15994	7.9
395.16882	9.8
413.18027	40.6
575.23206	10.0
599.59778	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	610.341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	22.9
67.12440	3.4
73.04748	18.7
80.12100	4.1
91.05789	41.7
98.96978	6.6
98.97575	75.2
105.62882	3.9
116.98608	56.8
122.99169	3.6
134.99651	37.6
149.04492	4.9
153.00703	4.7
167.05560	14.2
218.49847	3.4
239.09529	10.8
266.99811	3.4
268.97723	9.6
285.00958	17.5
299.06107	13.3
325.13321	5.1
341.16806	3.7
355.06927	34.3
373.07962	5.9
415.03458	3.7
418.99512	4.8
419.99817	3.8
463.28799	6.6
465.30234	9.6
491.21622	3.9
491.28381	7.8
501.32001	4.2
509.29388	16.3
525.32477	16.4
527.30298	53.2
543.33618	54.4
550.31647	4.5
566.34906	4.4
569.31244	26.5
587.23553	6.1
587.32501	100.0
605.33752	8.5
610.33832	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	610.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88160	7.7
67.20451	8.5
70.06578	8.8
70.39933	15.0
73.04748	55.3
88.07613	12.0
91.05791	100.0
96.68327	7.9
114.07333	12.7
115.09417	7.3
124.21031	8.2
150.06949	8.4
167.05519	23.8
167.10649	9.0
239.09515	27.5
268.97745	17.3
285.00848	35.8
299.06177	30.0
302.30463	70.6
355.07028	78.3
356.07108	15.1
409.70386	9.2
582.34009	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	611.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76365	1.3
70.30709	2.8
73.04761	2.2
88.07185	1.3
91.05791	8.5
105.99664	1.2
185.04214	21.0
205.04688	14.6
221.04181	10.9
249.13577	1.3
251.05225	3.1
252.78062	1.5
299.06223	1.9
323.47641	1.5
355.06918	2.8
356.06918	3.1
363.90524	1.4
383.09448	100.0
384.09845	3.3
498.09058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
50.60841	0.1
53.03939	0.2
53.44759	0.1
55.01868	0.4
55.05506	0.2
57.03434	2.0
59.04993	0.1
60.20959	0.1
61.02914	0.6
65.03934	0.1
68.99780	0.5
69.03420	1.2
70.06561	0.1
71.01374	0.1
71.04985	11.7
72.05322	0.1
73.02911	0.4
75.04475	0.5
81.03408	0.7
83.01340	0.1
83.04980	0.6
85.02895	15.9
86.03230	0.1
87.04439	0.3
90.36514	0.1
91.03947	0.2
93.03396	0.3
95.04956	0.2
97.02885	1.5
97.32394	0.1
98.23499	0.2
99.04438	0.4
101.06001	0.1
101.27171	0.1
103.03905	0.1
109.02877	0.6
111.00791	0.9
111.04446	0.5
117.07058	0.1
121.02856	0.7
123.04399	0.2
127.03892	1.0
129.05467	3.5
133.46484	0.1
135.04393	0.2
137.02335	2.8
137.03406	0.2
139.03920	0.1
145.02786	0.1
145.04941	0.8
145.06494	0.1
147.06496	1.0
149.02322	0.4
151.03937	0.1
153.01813	3.0
155.04878	0.2
161.05954	0.2
163.03871	0.4
163.06128	0.1
165.01810	1.6
166.02571	0.2
173.05957	0.3
177.05479	0.1
179.03311	0.1
183.02917	0.8
183.04372	0.1
187.03944	0.2
191.03429	0.1
191.07050	0.1
195.02905	0.2
201.05437	1.3
205.04939	0.2
211.04025	0.1
213.05539	0.1
217.05040	0.1
219.02881	0.1
219.06523	0.3
228.04198	0.1
229.04930	3.3
239.03447	0.1
247.06012	0.6
257.04404	2.3
274.04776	0.7
275.05380	0.2
285.03909	1.1
286.04434	0.1
287.05524	0.6
299.32922	0.1
302.04031	0.1
303.04944	100.0
304.05280	3.2
315.04810	0.1
324.12665	0.1
345.05893	0.3
369.05884	0.1
399.06827	0.1
465.10233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Cyanin
Peak:m/z	Relative Intensity
55.12877	0.2
55.35873	0.2
60.30722	0.2
65.06828	0.3
69.63932	1.0
73.04752	0.4
80.33287	0.2
91.05793	1.6
93.16457	0.2
137.02332	1.3
137.03284	0.2
147.38513	0.2
149.02299	0.5
167.05548	0.3
185.05959	0.3
189.05504	0.4
213.05429	1.2
231.06554	0.6
239.09470	0.3
241.04915	0.7
245.70825	0.2
247.85759	0.2
284.25894	0.2
285.01120	0.3
287.05460	100.0
288.05746	2.1
355.07025	0.5
356.06909	0.7
449.10733	11.0
450.11023	0.3
611.15924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49876	0.2
60.98653	0.2
69.09225	0.9
69.09662	0.7
77.09845	0.2
83.35986	0.2
125.82082	0.2
137.81331	0.2
283.45361	0.2
291.70966	0.3
317.11432	100.0
318.11740	2.9
335.12430	1.1
358.13965	1.3
453.49979	0.3
553.71960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40583	0.4
54.83710	0.5
58.08056	0.4
60.75982	0.5
93.07052	0.6
105.16763	0.4
107.08586	0.7
108.08118	0.8
120.08186	0.4
136.07632	0.5
138.09091	0.5
146.16599	0.5
166.08656	0.6
190.04962	1.0
203.05324	0.6
225.10281	0.7
243.04851	0.7
245.06253	2.2
264.86661	0.4
269.12885	0.6
287.03659	2.6
289.05273	10.8
289.26126	0.5
325.11972	0.7
345.23965	46.3
346.24475	1.3
347.25528	30.0
348.25919	1.3
363.25015	17.1
364.25369	0.5
366.14484	0.5
398.14987	1.1
399.15860	0.8
414.98187	0.6
458.16977	2.9
525.30353	3.8
567.31421	26.0
568.31488	1.0
611.30396	100.0
612.30682	5.4
636.96979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37303	0.7
50.80079	0.7
55.05507	1.5
67.05521	1.3
69.03428	1.3
69.07081	2.3
69.71471	2.7
73.04752	1.5
79.05483	1.2
81.07047	3.6
83.08611	1.5
83.81701	0.8
85.02916	1.1
91.05859	1.0
93.07052	1.7
93.78793	0.8
95.08625	2.8
97.02935	1.0
97.06489	0.7
97.10178	1.0
105.07014	1.2
107.08572	0.9
107.73228	0.7
109.10146	1.2
119.08598	1.4
121.10156	1.4
127.00041	0.7
133.10153	1.1
135.11742	1.5
145.02933	0.8
147.11746	0.7
167.07071	0.8
175.03915	0.7
177.05467	0.9
179.14381	0.7
181.04976	0.9
185.04208	1.3
203.05299	2.8
227.05257	1.0
235.20641	1.0
243.04718	1.2
245.06313	11.2
253.21552	1.2
271.04184	1.1
289.05298	11.1
303.05118	1.0
327.25717	7.9
345.23840	9.9
345.63004	0.7
347.25705	0.9
356.07300	0.7
363.24963	4.6
458.17065	1.2
469.80276	0.9
489.27960	1.0
507.29318	7.6
523.25281	2.6
525.30371	4.9
531.29376	2.9
549.30219	16.9
567.22473	1.1
567.31354	21.5
575.28223	13.8
593.29279	78.1
594.29639	4.1
611.30353	100.0
612.30847	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	611.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15332	0.8
61.91986	0.8
73.04759	1.9
85.02922	2.7
87.00809	1.3
91.05799	6.4
95.08605	7.8
97.02910	2.1
97.64994	0.9
100.70376	0.8
105.01884	1.0
108.01992	1.0
109.02891	1.3
109.10155	2.2
127.03964	2.4
133.10146	0.9
137.32475	0.9
145.05017	1.4
167.05592	1.1
169.06461	1.0
169.35727	0.9
175.07591	1.8
189.09132	0.9
199.07625	1.7
203.07063	1.5
221.08084	1.9
225.52376	0.8
227.07098	1.2
229.43491	1.0
229.53743	0.9
239.09488	1.5
239.38570	1.0
240.09622	1.1
243.04832	2.0
245.06355	2.6
249.34517	0.8
283.17047	1.7
285.00937	1.2
289.05222	2.9
301.17920	1.5
303.19836	1.2
309.14981	1.7
311.16507	2.9
328.16092	1.9
329.17419	6.1
345.24136	4.5
355.07141	2.8
356.07217	3.2
363.24930	7.9
507.29111	2.0
525.30304	4.5
531.29474	1.6
543.83350	0.9
549.30182	5.0
567.22681	0.9
567.31415	22.3
575.28357	6.5
593.29309	33.3
594.29541	1.3
611.30353	100.0
612.30432	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	611.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
55.05513	24.7
57.03424	6.2
57.07080	4.8
65.03931	3.6
67.05502	59.0
69.07064	19.7
70.93890	2.1
79.05487	42.1
81.07051	56.2
81.07505	4.0
83.04942	3.3
83.08627	10.4
85.06541	3.5
91.05451	32.5
93.07040	44.4
93.07599	3.0
95.04968	5.7
95.08601	40.2
97.06512	2.5
97.10139	4.7
105.04539	2.8
105.07024	39.5
107.08581	28.4
109.06512	3.0
109.10139	23.3
111.08115	3.7
115.05411	2.3
117.07024	17.9
119.08582	34.6
121.10129	25.1
123.11708	6.1
128.06186	2.5
129.06966	11.3
131.08557	29.2
131.09441	2.7
133.10127	32.1
135.11705	17.5
141.07036	3.6
143.08524	16.5
144.09358	2.1
145.10104	25.4
147.11690	22.7
149.13255	9.0
155.08589	7.7
157.10092	15.7
159.11668	21.1
161.13264	14.8
163.14813	3.5
167.08513	2.8
169.10132	6.9
171.11687	18.2
173.13274	16.5
175.14818	7.2
178.67352	2.2
183.11775	6.7
185.13258	12.9
187.14891	8.1
189.16483	3.0
195.11639	3.8
197.13219	4.4
199.14873	7.2
201.16444	4.2
203.17917	2.7
209.13225	3.1
213.16486	7.8
215.17967	4.8
223.14787	2.6
225.16414	3.9
227.18095	2.9
241.19623	11.8
243.21136	3.3
245.19319	2.5
257.19131	4.4
259.20590	26.3
261.22214	5.1
292.66513	2.0
311.23511	3.0
315.23428	2.7
325.25494	3.3
333.24146	14.9
335.25851	24.0
356.06989	2.7
519.41974	7.4
537.42688	7.6
582.81409	2.4
593.45441	7.5
611.36597	5.0
611.46625	100.0
612.47064	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	612.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55087	1.4
66.42564	1.7
69.15356	9.1
78.45235	1.4
79.05485	2.5
89.03912	7.1
91.05825	3.7
103.05468	4.5
115.05468	2.0
117.03371	7.0
125.05938	1.9
131.04877	3.0
135.04366	11.9
139.03902	1.9
145.02852	7.8
149.05998	1.6
151.91872	1.8
159.04445	3.0
160.07523	2.5
163.03905	39.0
167.05641	1.6
167.07053	5.0
168.08089	2.2
169.72284	1.7
170.09560	1.5
177.05444	11.3
181.04976	4.3
184.07542	2.0
185.54547	1.6
188.06979	1.6
196.07513	2.3
199.06367	1.5
200.07008	3.0
200.10759	1.7
202.08707	2.7
212.07094	4.8
213.07880	1.8
216.06552	1.6
217.07185	1.9
224.07065	2.9
226.04964	1.9
226.08641	5.7
228.06525	2.8
228.10170	6.0
240.06535	4.7
241.07326	3.2
242.08075	4.4
244.05954	2.6
252.06664	2.6
254.04509	2.0
254.08061	4.1
255.08727	3.5
256.05893	2.1
256.09695	5.1
257.06714	2.2
258.07623	6.5
266.08017	2.0
267.05215	2.2
268.05966	4.9
269.06738	3.5
270.07480	6.2
270.11206	1.7
272.05923	1.7
272.09143	4.9
279.05179	3.1
281.06631	1.8
282.04166	1.9
282.07626	4.4
283.08478	2.1
284.05704	2.9
284.09088	11.4
286.07126	11.6
286.10376	2.6
294.07858	2.3
296.05502	4.7
297.06284	8.3
298.07153	8.2
298.10297	2.8
300.08600	14.1
301.06308	2.0
301.09457	6.8
302.10205	3.0
308.05450	3.1
310.07013	5.3
311.07825	3.4
312.08585	15.4
313.09311	2.9
314.06522	6.7
314.10132	6.1
315.08224	2.8
316.08145	2.1
316.11670	2.7
324.04959	1.8
324.08386	2.4
325.05725	3.8
326.06406	7.1
326.09970	2.2
327.07275	2.2
328.08148	15.6
329.08945	11.7
330.09668	4.8
340.08157	21.4
341.08984	4.1
342.05978	4.7
342.09738	6.6
343.07843	2.9
344.07541	8.2
344.11288	21.4
355.07043	2.3
356.07370	3.6
357.07880	2.7
358.09238	17.5
368.07626	4.2
372.10745	74.7
373.11075	2.0
386.08636	29.6
390.11627	1.9
400.10419	3.1
404.09659	15.2
418.11429	9.6
504.42316	1.9
517.10059	2.6
520.12311	9.7
548.11847	97.4
549.11981	6.2
580.14447	100.0
581.14337	5.3
612.22778	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	612.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.1
53.03939	2.5
61.39210	0.6
67.05527	0.9
69.03428	0.8
70.36378	1.6
73.04743	1.0
73.77428	0.6
77.03915	1.9
79.05460	1.1
81.03377	1.1
81.07046	1.5
83.04960	1.2
83.64321	0.7
85.02895	2.8
89.03925	0.9
89.56905	0.7
91.05430	13.9
92.70008	0.8
93.07034	18.2
93.49770	0.6
94.33519	0.7
95.04960	9.9
95.08556	0.6
97.02914	0.7
97.56836	0.6
103.05457	16.3
105.04489	4.7
105.06998	0.9
107.04939	6.3
107.08659	0.6
108.08100	0.8
108.51098	0.7
111.04432	0.7
117.03311	1.0
119.04941	1.2
121.06493	100.0
122.06860	1.1
123.04417	4.8
125.02875	0.6
134.05920	0.7
135.04367	2.1
145.02786	2.0
146.05981	5.0
147.04404	2.0
162.05504	1.8
163.02820	0.8
163.03929	8.4
167.05659	0.8
167.06985	1.1
171.06517	0.9
174.05469	5.1
177.05527	0.8
178.05710	1.2
187.21455	0.6
190.04993	0.9
202.04982	3.5
210.09174	1.1
211.09035	0.8
224.09155	0.8
225.10146	1.6
226.10513	1.1
227.11707	0.8
237.07890	1.2
237.10223	1.0
238.08536	1.4
241.09660	0.9
245.43010	0.6
265.09784	0.8
266.07965	4.1
267.08722	1.4
267.11234	1.2
269.12714	1.4
284.09122	16.6
287.14053	1.0
289.05215	4.6
290.05673	1.0
293.09219	2.0
296.09116	3.0
297.09451	2.1
298.10648	1.3
299.06000	0.9
311.10385	1.1
312.08606	2.4
324.08600	1.5
325.12012	1.3
326.12448	1.2
329.13782	2.3
330.09525	0.9
345.24167	1.0
346.24124	1.0
347.14896	3.9
355.07266	1.0
357.06921	1.7
364.28397	1.8
404.14825	9.4
432.14209	1.6
458.17245	0.9
459.17523	1.2
491.12054	0.9
492.12823	18.0
493.13382	0.9
505.13089	2.7
506.14246	0.9
567.31232	2.4
568.31470	2.4
579.22150	1.4
580.22797	7.2
593.29742	1.1
611.30048	6.5
612.18359	47.6
612.30273	9.8
613.18634	1.5
625.77362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02509	0.5
53.03946	0.5
61.92806	0.5
65.03934	1.0
67.05511	1.5
69.03405	1.0
69.07057	0.8
69.08717	4.1
71.04997	4.3
79.05484	0.7
81.03410	4.0
81.07056	0.9
85.02899	1.1
85.06529	1.3
91.05471	17.0
93.07042	1.9
95.04964	1.5
95.08599	4.6
97.06512	6.3
103.05448	1.0
105.07018	7.2
107.08559	1.1
109.02872	1.3
109.10140	3.2
117.07001	0.7
119.04935	23.4
119.08562	2.0
121.06493	0.7
121.10127	3.9
123.08100	1.1
129.03400	0.6
129.07016	0.7
131.08556	6.0
132.02095	0.8
133.10118	100.0
134.10443	2.5
135.08031	0.8
137.06122	0.5
143.08528	1.0
145.10117	1.7
147.04393	23.9
147.11673	1.4
149.13251	1.6
157.03976	2.5
158.10905	2.4
163.03856	1.9
167.07019	1.7
171.27478	0.6
173.13249	24.2
174.13538	0.9
175.03894	44.3
176.04247	1.3
177.05484	0.7
179.07024	1.7
191.12540	1.2
191.14287	23.8
192.04121	1.0
192.14624	1.0
204.42406	0.5
207.06506	96.7
208.06781	2.6
225.07622	0.7
351.10727	5.4
369.07498	0.7
369.11801	8.0
558.20319	0.7
612.26221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65575	1.9
62.00338	1.5
69.59014	6.5
73.04736	1.5
82.76589	1.4
91.05783	4.6
94.23582	1.4
98.22710	1.6
167.08488	2.1
181.10085	2.0
193.10081	3.4
195.11687	1.8
209.09674	2.6
221.09566	4.1
222.10310	1.9
223.07640	2.2
223.14798	1.8
233.13226	3.3
235.07533	1.9
235.11147	2.3
236.08508	2.5
236.11966	2.4
237.09154	4.6
238.09895	4.9
239.10652	6.5
246.10448	3.2
249.09056	3.7
250.09923	4.1
251.14250	9.5
252.11415	5.5
261.12772	3.0
263.14249	1.9
264.11453	16.1
265.12216	3.9
266.12936	3.6
279.13791	100.0
280.14157	3.1
281.15329	58.5
282.15576	2.7
296.14267	4.0
297.14832	24.2
299.16287	8.4
301.08423	12.5
302.08682	13.9
334.11307	2.0
355.06821	3.2
357.06860	2.3
612.20850	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	612.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90898	1.8
63.02419	1.6
68.00061	1.8
68.59299	1.9
69.23802	1.9
69.37743	5.4
69.38139	4.5
73.04757	1.9
91.05778	5.4
125.79662	1.7
152.69028	1.7
178.07745	1.9
181.10110	2.6
193.10101	2.9
195.08084	3.1
208.08777	2.2
208.12495	2.0
209.09563	3.5
211.07515	2.5
218.10893	1.9
220.08507	2.0
220.12537	2.7
221.09445	3.9
222.10364	5.5
223.11058	2.6
223.14873	2.1
233.09694	2.9
233.13148	3.0
235.11224	2.9
235.14653	2.1
236.08316	6.6
236.11913	2.4
237.09064	5.9
238.09860	7.5
239.10628	6.5
246.10374	3.0
248.11931	2.5
249.09087	5.8
250.09833	6.0
251.10597	4.4
251.14340	6.1
252.11389	8.9
253.11998	2.7
261.12723	2.9
263.14334	2.9
264.11420	16.9
265.12158	1.7
266.13052	6.8
279.13757	97.8
280.14133	4.2
281.15329	100.0
282.15585	4.6
296.14105	2.3
297.14813	15.3
299.16422	5.5
312.12881	2.9
331.88263	1.7
346.16266	1.7
357.06866	2.7
533.98895	1.6
577.29010	2.0
619.76196	1.7
643.56158	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32086	0.7
51.80786	0.7
55.05505	9.1
57.07062	1.1
59.49803	0.8
65.03930	1.2
67.05490	6.5
69.07070	4.2
69.28528	3.6
71.08612	0.7
72.38912	0.7
73.04764	1.3
76.29652	0.5
79.05483	5.4
81.07042	9.0
83.04971	27.0
83.08580	1.1
84.95106	0.7
85.06537	2.3
89.13429	0.7
91.05431	12.3
93.07043	10.6
95.04954	1.6
95.08607	8.0
99.04440	1.7
101.06002	2.0
105.07019	23.4
107.08582	12.9
109.10143	5.3
115.05442	1.9
117.07008	18.4
119.08559	13.6
121.10118	6.1
123.11696	1.0
128.06200	0.8
129.06978	2.9
130.07793	5.3
131.08560	16.8
132.41246	0.7
133.10129	8.4
134.99745	0.7
135.11641	2.0
143.08566	4.0
144.09341	2.2
145.10106	77.5
146.10530	0.9
147.11710	1.6
147.54459	0.7
149.13252	0.8
157.10170	1.2
158.10880	1.2
159.11682	30.5
161.13231	11.0
163.11121	1.6
173.13231	5.9
175.14766	1.3
177.12700	1.1
183.10147	2.7
199.09677	2.4
201.16360	100.0
202.16682	2.2
219.17387	6.9
241.09445	0.8
285.00711	1.1
357.06638	1.3
374.70578	0.7
429.95203	0.8
529.31769	1.2
589.33954	2.0
613.36920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.05504	34.1
57.03428	1.4
67.05501	5.3
69.03418	1.6
69.07053	7.0
71.04989	2.2
73.04736	2.3
73.06562	1.4
73.09171	1.2
79.05481	8.7
81.07049	8.1
83.04969	100.0
84.05304	2.2
91.05413	16.4
93.07034	21.6
95.04965	9.3
95.08585	9.2
97.06503	2.5
98.22758	5.5
98.23445	2.7
101.06008	16.0
103.05505	1.5
105.07017	27.9
105.07716	1.6
107.04955	1.7
107.08582	15.0
109.06521	3.4
109.10159	4.7
115.05447	2.6
117.07023	8.5
119.08559	16.1
121.06490	4.1
121.10125	9.4
128.06230	5.0
129.07013	11.2
131.08553	17.1
133.10112	21.7
135.08069	2.7
135.11655	8.5
137.09593	1.7
142.07771	8.0
143.08556	17.6
144.09306	2.1
145.10120	9.4
147.04407	2.2
147.08037	4.7
147.11670	8.6
149.09598	1.7
149.13269	4.1
155.24159	1.4
156.09329	4.3
157.10112	21.1
159.11664	15.7
161.09608	9.1
161.13261	2.4
169.10077	1.7
171.11685	4.5
173.13268	7.2
175.11151	4.1
175.14833	3.9
177.12706	6.8
183.10139	23.5
187.14737	1.5
189.16335	11.7
191.14276	3.9
193.04933	1.6
194.59357	1.4
199.14793	28.4
201.11259	7.1
201.16364	3.1
217.15872	39.2
235.16904	5.6
259.16751	2.6
273.06381	1.5
277.18134	1.6
355.06805	2.1
356.07278	1.7
357.06876	3.1
377.23169	4.3
377.89224	1.7
463.15530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50142	1.2
54.24464	1.0
66.80228	1.0
68.25516	1.2
71.32200	1.3
85.02909	1.4
91.05827	1.2
95.08605	3.5
122.03630	1.6
122.44832	1.0
125.83539	1.2
131.04939	1.1
137.05965	31.0
153.96002	1.1
158.40721	1.0
161.05923	2.0
177.05388	1.2
185.04225	1.3
192.79768	1.2
224.58783	1.2
249.83473	1.2
283.16940	1.6
297.11295	1.8
330.17941	1.5
407.14496	6.3
425.15656	4.1
441.71579	1.5
507.19836	24.7
507.26608	1.8
509.18161	2.4
527.18896	3.2
551.18732	5.5
569.19873	84.5
570.20270	3.5
612.30487	2.2
613.18872	100.0
613.29919	3.3
614.19141	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.6
56.96560	33.8
59.38916	1.5
66.03303	1.6
67.89977	1.4
70.60002	2.4
70.60352	2.1
73.04713	1.5
79.05477	2.3
81.07026	2.8
83.04974	3.1
84.96021	4.9
91.05846	1.6
95.08582	2.4
98.47587	1.7
98.91936	3.7
98.97571	74.9
101.59303	1.6
105.07004	3.1
107.08542	2.1
110.97565	5.6
112.99117	25.8
116.98606	40.9
117.06973	1.6
119.08613	1.8
124.99158	2.2
128.98616	7.7
131.00159	40.7
134.99652	15.7
137.20723	1.4
140.00183	3.4
142.07799	1.5
143.00131	10.4
143.08501	1.8
146.99638	4.4
149.01213	41.8
149.02371	3.5
152.98616	2.1
154.01682	2.1
157.10092	2.6
158.99631	33.1
159.11703	2.7
161.01210	13.0
162.99229	1.6
167.02304	5.9
170.99680	3.4
173.01207	7.1
177.00693	46.7
177.02248	2.8
185.01167	3.2
189.00681	5.1
191.02255	6.1
195.01723	4.9
199.02747	10.9
199.14844	8.4
200.02267	5.3
201.00758	2.2
203.02252	5.7
207.01720	1.7
209.01196	4.6
215.02277	4.8
217.03796	7.5
219.01767	9.7
227.02232	3.2
233.03267	3.0
237.02759	8.9
251.16454	1.8
255.03851	2.1
256.63431	1.7
259.16681	2.7
275.04333	18.6
293.05392	66.4
311.06464	13.8
316.06982	4.8
316.72668	2.0
317.17841	100.0
318.18347	3.0
334.08047	2.6
335.18887	35.6
336.19153	2.0
358.20456	9.1
377.19803	11.0
391.21616	3.0
399.87323	1.7
497.23846	5.2
530.31714	3.0
537.29889	4.5
553.26819	74.2
554.26917	3.7
590.34747	4.1
613.36127	1.8
614.36481	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61883	0.3
56.08305	0.4
56.26194	0.3
58.46945	0.4
70.02699	0.9
70.03070	0.8
84.04502	0.5
101.07127	0.8
127.01647	0.4
127.03901	0.4
133.10103	0.6
163.03920	0.7
167.06976	1.1
171.71851	0.4
181.05063	0.7
206.52751	0.4
242.11259	0.5
306.31345	0.4
337.12076	0.4
350.23120	0.4
365.26614	5.8
393.26065	0.8
427.54550	0.4
497.30765	1.2
509.30936	0.6
527.31830	7.9
528.87140	0.4
539.31976	1.5
551.31219	0.5
569.32910	34.1
570.33398	1.7
573.77356	0.4
595.30774	1.3
613.31891	100.0
614.32355	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60812	0.4
53.49636	0.5
56.02364	0.4
64.11573	0.4
67.43507	0.5
69.27417	0.7
69.27827	1.5
76.39915	0.4
78.89468	0.4
91.05810	0.9
151.78969	0.4
216.78064	0.4
365.26511	4.7
381.62180	0.5
393.26382	1.3
509.30499	0.6
527.31915	16.0
569.32916	36.4
570.33435	0.9
613.31891	100.0
614.32587	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	613.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.2
67.05492	2.4
69.07085	1.4
69.13903	7.5
74.09715	6.4
76.00191	1.3
79.05481	2.4
81.07044	2.2
91.05497	4.2
93.07038	4.1
95.04981	1.8
95.08620	1.5
105.07039	4.7
107.08585	2.9
117.07032	2.9
119.08584	2.5
121.10110	1.1
128.06207	1.4
131.08595	3.2
133.06592	1.3
133.10124	2.5
133.99893	1.1
141.22226	1.2
143.08542	1.9
145.10124	3.1
155.08549	1.4
173.09637	2.2
195.11685	1.3
223.09406	28.4
224.25987	1.4
238.14082	1.3
242.38185	1.2
248.08818	1.2
253.12164	1.3
271.13013	18.5
327.56647	1.2
357.06595	2.0
413.22955	100.0
414.23373	5.8
542.56055	1.1
559.38965	1.3
613.36304	7.6
620.29181	1.4
640.20929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4819
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03950	0.9
55.01866	0.8
55.05263	1.0
55.05510	10.8
57.03433	4.2
57.07066	2.5
65.03940	1.2
67.05500	39.6
69.07063	12.7
69.73836	1.5
69.74189	1.8
71.04994	1.1
72.22008	0.8
76.35192	0.7
77.03954	1.0
79.05488	21.4
81.07050	39.2
83.08611	7.9
85.06544	1.6
91.05476	16.1
93.06448	1.2
93.07040	25.2
95.04952	3.9
95.08598	33.1
97.06525	1.0
97.10149	2.9
99.08097	1.3
105.04550	0.9
105.07013	15.0
107.08592	15.6
109.06516	0.8
109.10148	17.8
111.08150	1.1
111.11732	0.9
117.07001	6.6
119.08570	15.6
121.10137	16.3
123.11700	9.0
125.09576	0.9
129.07007	2.6
131.08549	14.4
133.10126	15.0
135.11696	12.8
137.13261	3.1
142.07750	0.9
143.08551	3.6
145.10109	11.6
147.11670	12.7
149.13237	8.0
151.14862	2.2
155.08463	1.2
157.10135	4.1
159.11685	11.7
161.13243	8.2
163.14836	4.6
169.10118	0.9
171.11742	4.4
173.13252	8.2
175.14844	4.8
177.16443	2.4
181.10114	0.8
183.11722	1.6
185.13289	4.3
187.14813	5.2
189.16347	1.8
191.17944	1.0
193.19662	0.9
197.13258	1.4
199.14812	2.7
201.16399	2.7
203.17972	1.9
208.07335	0.8
211.14914	1.0
213.16483	1.6
215.18011	1.9
217.19559	2.7
227.18100	1.0
229.19336	0.9
231.21158	1.7
241.19685	4.1
243.21146	3.4
247.20609	1.7
257.18927	1.0
259.20566	11.0
261.22122	15.4
262.22491	0.9
263.23743	2.8
273.21860	0.8
277.21771	1.3
279.23328	1.1
281.73572	0.9
285.22308	1.0
287.23633	1.5
291.23331	1.0
295.22577	1.1
298.38333	0.9
299.23605	1.7
313.25256	1.2
315.23175	1.5
315.26837	1.1
317.24802	2.5
323.25858	0.9
327.26639	0.9
329.24750	0.8
333.24191	6.2
335.25769	19.9
337.27338	11.7
337.80322	0.8
341.28564	1.6
355.30026	1.7
383.32965	0.9
402.76553	0.7
410.23117	0.8
411.32574	1.2
422.45151	0.8
475.33926	1.2
489.36075	1.5
503.37030	1.6
515.37347	0.9
521.43542	7.7
522.03723	0.8
522.43542	1.0
529.38989	1.9
539.44562	3.4
543.40125	1.7
595.47253	13.3
596.46967	1.3
613.48193	100.0
614.48553	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	614.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01864	3.1
57.03434	0.7
61.02914	0.9
69.03410	1.5
71.04986	0.9
77.03952	0.5
79.05491	5.0
81.03382	1.0
83.31998	0.5
85.02894	5.3
89.20663	0.5
90.04676	1.0
91.05476	1.8
95.04963	2.1
97.02885	2.6
99.04460	1.3
103.05453	5.3
105.07016	48.2
107.04985	0.8
115.05447	9.7
117.07011	0.7
118.04152	2.6
118.69383	0.5
123.04420	1.5
127.03918	1.2
131.04915	1.5
133.06476	47.4
134.06816	0.7
137.05960	0.6
143.04935	0.9
143.06039	4.4
145.04926	0.8
145.06520	0.7
147.04391	0.6
148.89136	0.5
149.05956	0.7
151.03883	0.8
155.07092	0.7
161.05960	100.0
162.06331	1.8
165.05481	0.6
167.07007	5.6
172.05136	0.7
180.08635	2.5
181.04930	1.0
183.06491	1.1
189.05431	1.8
193.08580	91.6
194.08937	1.3
205.08504	0.5
206.05779	0.9
213.06168	0.5
221.08102	2.2
233.08044	7.5
251.09113	2.0
263.09158	3.5
281.10135	3.0
291.11993	0.6
303.04935	0.7
417.15189	1.4
453.17300	1.5
614.17456	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45419	1.9
55.05513	1.8
60.32946	1.7
71.18996	2.0
75.04482	18.2
79.05493	1.8
81.03449	2.5
85.02911	3.4
89.03918	11.6
107.04954	3.2
115.51441	1.5
117.03379	9.8
119.07069	2.3
135.04393	15.2
143.08498	1.9
145.02843	9.9
158.06013	6.5
161.05969	2.4
163.03900	50.9
164.04155	2.4
170.06018	2.8
171.08107	2.5
182.08125	2.3
189.09120	7.3
195.08054	3.2
198.05460	2.8
199.07553	2.5
200.07121	2.9
203.10536	2.4
210.07584	14.3
213.04164	2.9
213.09148	19.0
217.08652	5.2
227.10666	3.2
228.06540	34.9
229.12450	2.6
231.10132	5.2
241.03746	2.6
254.08167	2.4
255.13876	4.6
260.09161	3.3
265.15915	3.0
269.03287	2.9
272.09256	2.7
283.16885	21.1
285.18427	4.7
288.08658	14.7
290.87503	1.9
300.08728	6.8
301.17892	10.3
303.19595	3.0
310.07022	2.8
313.17935	5.2
316.08142	100.0
317.08658	8.3
328.08237	2.6
331.19022	66.3
332.19357	3.7
346.09274	4.1
360.11017	2.4
420.12686	8.0
452.15527	2.6
614.42340	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	614.3323
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
54.07213	0.6
56.05026	1.0
58.06596	3.6
59.05005	0.7
67.05473	0.5
67.66789	0.6
69.66978	1.7
71.04987	1.8
72.08143	2.8
75.04487	4.5
79.05482	1.4
85.02912	0.6
91.05491	2.4
95.04979	1.8
97.06560	0.9
101.06013	0.6
103.05424	1.1
105.03395	4.5
105.07029	1.5
107.04919	0.6
108.08160	0.8
109.06523	1.1
111.08088	2.7
115.05481	1.2
117.07033	1.9
121.06533	1.9
128.06236	0.8
129.07007	1.8
131.08548	0.9
135.08080	2.7
138.09120	0.7
140.10693	1.3
141.07024	1.6
143.08536	1.2
145.06525	1.0
147.08128	1.2
148.11198	0.7
151.07547	0.7
152.10745	1.4
153.07077	1.1
153.09227	0.6
155.08623	1.0
158.09669	1.0
159.08101	1.4
160.11230	0.9
163.07622	0.9
165.07016	1.4
167.08565	1.4
169.10062	0.9
171.08116	1.3
171.10374	0.6
172.11212	0.8
173.09676	0.8
177.09161	1.1
178.07736	1.1
178.12286	1.2
179.08655	1.6
185.09598	0.9
191.08568	1.4
193.10132	0.6
197.09697	0.6
199.25908	0.7
202.07809	1.0
203.08606	1.8
204.09344	1.3
205.10104	2.7
207.11674	0.6
215.08618	1.5
216.09375	0.8
217.10167	2.3
219.11786	1.6
221.09689	0.9
229.10138	2.2
231.08200	0.8
231.11693	1.5
233.09627	0.6
235.11259	1.6
246.10368	0.9
247.11171	1.2
249.12888	0.8
261.12820	1.7
265.12161	0.6
274.15982	0.8
277.11850	0.6
292.16898	0.6
293.15408	1.1
318.18655	1.0
334.17908	1.0
336.19388	1.0
350.21439	0.6
368.22235	0.9
378.20612	0.7
384.21906	1.1
385.20343	0.8
386.23157	0.7
396.21744	1.1
398.23508	0.8
400.24597	0.8
410.23288	2.0
416.24371	2.0
428.24380	3.9
429.24496	0.7
442.25974	9.9
460.26932	14.7
461.27106	0.9
474.28696	1.4
492.29544	27.0
493.30029	0.8
614.33209	100.0
615.33484	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	614.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92209	1.1
55.05508	10.0
56.96557	4.2
57.07059	3.2
67.05495	2.7
68.69302	0.9
69.07058	4.7
70.06594	6.7
71.08637	1.4
71.15324	1.1
79.05479	7.5
81.07056	8.1
83.04974	21.3
83.08630	2.1
85.06530	2.7
88.07633	4.1
91.05466	10.2
93.07050	9.7
95.04948	2.1
95.08577	2.9
98.97562	8.5
100.11243	1.7
101.06019	1.3
102.09171	3.9
103.05463	1.5
105.03387	2.8
105.07028	19.6
107.08584	10.7
109.10132	1.3
110.97655	1.1
112.99130	2.8
115.05421	3.0
116.98603	4.5
117.07005	7.6
119.08567	10.4
121.03705	1.0
121.10123	1.7
128.06213	8.9
129.06981	17.8
131.00185	4.0
131.08549	16.8
133.10124	5.0
135.11603	1.5
141.06984	2.1
142.07761	16.4
143.08557	36.0
144.09343	3.0
145.06429	1.6
145.10115	11.2
147.11710	1.9
149.01234	2.5
149.02342	4.4
149.05933	8.1
155.06088	1.4
155.08539	5.1
156.09413	6.0
157.10115	48.1
158.99638	3.9
159.11691	24.3
160.11986	1.3
161.01285	1.9
161.09570	1.7
169.10088	3.8
170.10896	4.1
171.11661	9.8
173.13239	3.5
175.11232	1.7
177.00729	4.1
183.10143	2.1
184.12468	3.2
189.16411	1.3
191.02295	1.1
193.04974	3.3
199.14806	100.0
200.15102	2.3
217.15848	14.2
233.85315	1.1
256.26288	8.0
259.16937	23.9
270.32501	1.1
293.05374	3.8
294.05530	1.4
297.07574	2.0
317.17862	4.0
318.18253	5.9
330.85162	1.1
335.18896	2.1
336.19302	2.3
341.10037	5.3
385.09192	2.3
554.27155	7.4
591.34601	1.8
614.37024	23.9
622.78711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.4
57.07069	3.0
58.71413	1.5
65.82063	1.4
67.05491	4.2
69.07048	4.6
69.73271	3.5
69.73679	2.7
70.06585	2.6
71.05003	1.5
73.39185	1.7
79.05489	6.1
81.07054	9.0
83.04977	41.4
85.06525	2.3
88.07623	3.7
91.05458	12.2
93.07024	9.9
93.07517	1.5
95.04961	3.4
95.08615	4.7
98.23383	2.6
98.97567	1.8
102.58562	1.3
105.07017	20.3
107.08568	10.3
109.06494	1.9
109.10201	2.2
115.05485	2.2
117.07018	7.5
118.70708	1.3
119.08562	14.7
121.10159	2.8
128.06192	7.9
129.06999	11.0
131.08542	12.4
133.10104	7.1
134.99686	2.2
141.06956	2.5
142.07779	14.5
143.08572	31.9
144.09291	3.9
145.10081	8.9
149.02332	2.2
149.05998	4.2
155.08578	3.4
156.09344	5.2
157.10110	45.0
159.11693	21.2
163.70837	1.7
169.10133	5.7
170.10866	1.8
171.11679	10.3
173.13231	3.2
175.11201	3.3
175.14738	1.8
183.10210	3.9
184.12474	4.0
189.16457	2.0
193.04961	4.2
199.14801	100.0
200.15092	3.3
207.91138	1.6
217.15858	15.9
240.57739	1.5
256.26382	4.7
259.16901	25.8
297.07590	2.1
300.29013	2.7
341.10153	2.3
529.31958	2.0
531.32233	2.8
591.34778	2.7
614.37170	12.0
615.34119	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.1
57.03444	1.6
57.07066	1.6
57.18834	1.1
65.03941	1.0
67.05503	5.2
69.07056	7.7
70.06554	1.0
73.06547	3.3
77.97898	0.9
79.05474	4.7
81.07047	7.3
82.96532	1.1
83.04966	20.7
83.08620	1.7
85.06535	2.3
86.09687	1.6
89.05986	1.1
91.05444	9.3
93.07021	10.6
95.08599	8.6
98.23333	1.2
101.06001	15.7
105.07016	26.2
107.08569	11.0
109.06522	1.3
109.10165	5.3
109.62499	1.1
115.05428	1.6
116.06205	1.3
117.06994	18.8
119.07049	5.5
119.08562	14.4
121.10115	6.4
129.06999	2.2
130.07779	7.4
131.08554	18.3
133.10101	6.5
135.11688	1.5
143.08540	6.1
144.09283	2.9
145.10104	78.8
146.10445	2.1
149.06013	1.2
157.10092	3.7
158.10901	2.2
159.11676	27.7
159.12955	2.2
161.13245	9.8
163.11089	1.9
171.11601	1.0
173.13274	4.7
177.12798	1.5
183.10190	3.7
186.13954	1.3
193.04915	1.4
199.14774	2.8
201.11188	4.6
201.16354	100.0
202.16702	4.5
219.03220	1.2
219.12236	2.9
219.17413	5.9
261.18387	1.2
341.10199	2.8
394.87839	1.2
484.51151	1.1
614.26563	2.5
614.36218	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	614.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84074	2.1
55.05482	2.4
57.07072	46.2
67.93381	2.4
69.07048	8.4
71.08621	46.5
71.44332	2.6
73.06544	5.6
83.08606	2.5
85.09702	2.8
85.10172	33.8
87.04437	8.1
88.56798	2.6
89.06023	100.0
93.08197	2.3
97.10166	2.8
99.11716	6.1
111.11710	4.7
113.13255	7.4
117.09109	7.3
123.16954	2.5
125.13271	3.5
127.45314	2.5
131.07062	3.8
133.08591	66.1
177.11206	29.5
178.07738	2.3
208.08791	2.8
213.08998	3.0
221.13719	5.2
227.10344	3.7
249.12688	5.0
250.13033	5.7
267.13803	5.7
268.14041	6.7
283.17197	4.0
292.55527	2.8
315.28809	4.3
326.31372	2.6
347.18472	17.0
348.18832	21.3
415.25351	6.1
597.45532	7.0
614.48053	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	615.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34208	0.5
69.08479	3.6
70.80753	0.5
72.75201	0.5
79.25546	0.5
105.07063	0.9
135.08055	0.7
148.11295	2.4
151.03998	0.9
163.04012	1.2
212.28516	0.5
229.12233	1.3
231.13528	6.0
242.91531	0.5
247.13268	1.7
270.23721	0.5
326.50891	0.5
347.07486	0.9
354.84769	0.5
358.19275	0.5
363.06824	6.2
365.08536	1.8
523.15839	1.0
553.20435	59.4
554.20685	2.0
571.21466	100.0
572.21814	4.4
614.42645	1.2
615.20386	51.1
615.42328	1.8
616.20068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10770	1.5
91.94811	1.7
146.96039	1.5
212.79572	1.7
267.57260	1.5
305.11490	35.3
314.19025	1.5
328.90927	1.7
333.10947	100.0
334.11200	3.6
370.64432	1.6
374.13675	2.0
506.66037	1.9
597.22546	7.8
615.23383	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	615.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25336	0.8
56.96558	1.9
59.98960	0.9
68.43780	0.8
69.11470	3.3
69.11894	4.0
90.89619	0.9
94.39816	0.9
100.35926	1.0
119.38393	1.1
119.76659	1.0
122.62534	0.9
134.45309	0.9
158.92999	0.9
239.02199	1.5
300.06686	1.2
305.11472	30.8
313.09351	1.3
318.07620	1.1
320.08679	1.1
327.09064	4.0
333.10950	100.0
334.11176	1.9
335.15182	3.1
341.07022	1.8
345.10107	2.0
346.48477	1.1
353.23639	1.1
357.10187	1.9
374.13812	2.4
465.43430	1.0
478.21490	1.0
615.26947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	2.3
71.01660	1.4
71.08643	1.8
71.38057	2.1
87.04473	4.0
89.06023	52.1
89.91393	1.3
91.47184	1.3
107.07109	2.3
112.72079	1.4
133.08600	33.1
134.09009	3.0
177.11200	14.1
194.00058	1.5
209.66338	1.4
221.13937	2.2
277.47763	1.5
305.11768	1.6
315.06516	2.7
317.11441	100.0
318.11908	3.2
321.14560	39.2
323.15854	1.7
327.20169	1.9
358.14328	2.7
415.25220	7.5
447.97284	1.7
615.27246	65.0
616.27637	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	615.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34994	12.0
76.44476	2.1
79.05515	2.5
83.04955	2.2
91.05486	5.5
93.07036	2.7
104.07081	3.1
105.07013	5.1
119.08567	2.3
131.08546	4.4
145.10101	6.9
147.03926	2.4
173.09589	4.9
191.45601	2.1
225.10997	16.5
230.92354	2.3
271.12973	10.4
314.33328	2.3
331.15109	100.0
332.75632	2.1
533.19702	4.1
533.27173	46.9
534.27277	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	615.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.1
58.76448	0.1
69.18779	0.1
69.19192	0.4
70.06571	0.1
71.27907	0.1
79.05479	0.3
91.05459	1.2
103.05440	0.3
104.06252	0.3
105.07016	2.9
114.12798	0.4
116.06211	0.1
117.07025	0.1
118.06527	0.2
120.08105	0.9
130.06439	0.1
131.07268	0.2
132.08066	1.4
133.08853	9.8
134.09203	0.3
144.08052	0.1
146.09628	0.3
147.10457	0.2
148.11186	100.0
149.11546	2.0
193.13365	0.1
248.12784	0.1
318.70032	0.1
336.03815	0.1
363.00510	0.1
423.19174	0.1
448.53146	0.1
468.20914	0.1
570.26123	0.7
615.31689	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95387	0.4
55.30824	0.4
66.99213	0.5
69.17773	3.0
78.93442	0.5
81.07060	0.6
81.43616	0.5
93.07114	0.5
95.08547	0.5
108.08160	0.7
110.09705	0.5
120.08090	0.6
123.08137	0.4
136.07576	0.7
138.09137	1.0
148.07578	1.0
163.03864	0.6
166.08635	0.8
167.09012	0.7
237.10107	0.8
238.10802	0.7
239.11702	0.9
251.11603	0.6
252.12341	0.9
263.11560	0.9
264.12201	0.8
268.11603	0.8
279.11246	1.0
280.11765	0.8
282.13190	0.6
285.12222	1.1
286.12485	1.2
287.13440	0.6
297.12442	1.1
298.12653	0.8
299.13242	0.6
310.12885	0.7
322.12738	0.6
325.11539	0.8
326.12103	0.7
337.11923	0.8
338.12186	1.4
339.12323	0.6
367.28146	4.2
409.29022	0.9
432.17926	0.6
449.19427	0.7
450.19669	1.9
451.20084	1.9
452.20963	0.7
462.19388	0.9
478.18906	1.0
479.20172	0.7
480.20587	0.8
491.20178	0.7
492.20535	2.0
494.22147	0.6
511.32376	1.6
529.33478	7.1
553.33453	1.9
571.34509	28.4
572.34888	2.3
597.24371	0.8
597.33264	2.3
615.33496	100.0
616.33984	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	615.335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29132	0.3
50.68636	0.3
51.38092	0.2
54.32804	0.2
70.67735	0.5
79.74129	0.3
109.33627	0.3
118.19115	0.3
167.21703	0.3
298.88748	0.3
367.28149	4.6
395.27661	0.9
409.28790	0.4
427.76999	0.3
511.32095	1.7
524.30359	0.3
529.33356	14.0
530.33661	0.7
553.33392	1.4
571.34467	28.1
572.34589	1.7
597.32208	0.9
615.33417	100.0
616.33820	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	615.335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.7
67.31369	0.4
67.58043	0.4
68.88408	0.4
69.07065	0.7
69.16785	2.5
69.17210	0.8
81.07065	1.6
83.62054	0.5
85.02927	0.6
91.05454	0.7
93.07051	0.8
95.08611	0.8
98.23473	0.9
105.07021	0.6
107.08604	1.1
109.10203	0.8
119.08558	0.9
121.10110	0.7
135.11674	0.6
147.04388	0.5
156.34953	0.5
163.03928	0.8
171.52879	0.4
175.03798	0.5
189.16290	0.7
201.16400	0.6
203.05316	1.9
207.06419	0.9
212.52769	0.5
224.04092	0.4
227.05270	0.6
228.17508	1.1
245.06311	6.4
250.58638	0.4
289.05264	15.1
331.25955	0.5
349.27090	19.0
367.28149	11.9
407.33011	0.6
511.32288	0.6
529.33478	3.0
545.46277	0.5
548.14441	0.5
553.33093	0.6
571.34467	20.4
572.34888	1.6
597.32635	3.7
615.33459	100.0
616.33868	6.2
632.46863	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	616.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03727	7.2
77.18850	6.8
84.05629	22.0
84.69572	7.6
126.01083	10.4
145.02812	15.6
163.03941	33.5
164.04243	14.2
174.08981	18.6
175.09796	77.3
177.05490	14.5
178.61311	7.4
209.05885	100.0
210.06561	17.7
212.05908	13.3
256.05927	67.5
339.93069	8.3
428.92621	8.5
616.21252	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	616.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
64.11382	1.9
66.95438	2.1
69.03439	3.1
70.79556	2.7
79.05482	6.5
81.03416	11.4
85.02892	7.3
91.05479	3.4
95.04993	3.0
97.02821	2.6
105.07008	3.1
107.04924	14.0
111.04399	2.0
115.05457	7.1
117.06984	16.0
123.04374	4.8
128.06203	2.9
129.06966	3.2
131.08522	3.6
133.06432	2.2
135.04382	4.7
139.03934	3.5
141.06943	2.9
144.05724	3.8
145.06468	34.6
155.06018	6.8
156.05695	7.8
157.06485	4.1
159.08028	7.2
161.05899	3.0
162.07584	3.7
167.07027	76.4
173.05968	69.8
173.95023	2.2
175.07356	2.5
180.08592	2.7
181.04935	5.1
183.89090	2.1
187.07553	9.1
190.06253	35.9
202.06213	6.2
203.07004	5.2
205.08588	100.0
206.08888	2.1
217.08582	45.9
219.08171	4.2
219.10194	5.5
221.06001	3.2
223.09576	2.5
235.07401	3.5
235.09604	27.9
247.07448	4.6
247.09662	12.2
248.08270	5.3
263.10687	3.7
265.08185	2.5
265.10715	29.7
269.08014	6.3
271.09540	2.6
275.07071	3.0
276.07846	3.8
279.10263	3.1
291.06552	2.5
291.10077	4.6
293.08005	4.3
299.09244	3.2
307.09561	2.6
308.10303	3.1
315.08633	16.3
319.09592	3.0
323.12656	3.9
330.10901	22.3
331.11652	4.1
337.06900	2.3
337.10583	3.4
339.12128	2.4
343.11832	2.5
351.12186	8.3
353.10089	2.8
368.12543	4.2
369.13403	2.5
371.14886	5.8
383.14856	41.5
401.15909	28.0
474.87753	2.0
506.56586	2.1
526.53467	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79196	0.9
55.01865	3.0
65.03930	4.5
67.05499	1.1
68.99782	1.1
69.03429	0.9
70.06586	1.4
71.44134	1.1
74.63651	1.1
75.04468	4.1
78.04706	2.5
78.89768	0.9
79.05488	3.1
81.03404	2.2
84.04470	1.4
85.02899	4.7
86.09695	1.1
89.03901	1.8
91.05475	13.7
93.03395	14.8
93.07042	7.1
95.04967	6.7
97.06519	3.0
103.05460	10.6
105.04510	1.8
105.07018	12.4
106.04171	31.9
107.04942	3.4
109.02837	1.1
111.04437	5.1
115.05440	3.6
117.03366	1.5
118.04176	2.1
119.04942	1.7
121.05610	1.8
121.06490	32.9
123.04420	1.8
124.05209	1.1
125.05966	7.9
131.04933	5.3
133.06487	12.8
134.03600	5.0
135.04370	4.2
137.05992	5.2
139.03886	5.8
139.07513	3.7
143.05984	1.2
145.02834	2.5
147.04353	1.3
148.05209	3.0
149.05965	52.5
151.03908	1.0
151.07556	2.9
153.05458	3.5
153.09099	14.6
161.05962	23.0
161.88106	1.2
163.03941	5.1
163.07462	4.8
166.06245	1.5
167.07022	10.4
177.05455	26.4
181.04970	9.0
181.08589	21.5
187.07503	1.3
191.07005	19.9
191.08647	1.6
193.08571	21.8
197.06052	1.1
209.08063	100.0
210.08398	2.0
219.08174	1.7
223.07600	1.1
247.07559	1.6
251.06981	1.3
263.06961	1.1
265.08432	1.8
265.10861	2.2
275.06873	1.1
291.06509	2.1
293.08075	2.4
319.06155	1.1
337.07138	2.0
355.07996	2.0
383.07632	2.2
387.14157	1.8
401.16214	1.0
402.43579	1.1
616.22418	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	616.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67907	0.3
55.05476	0.6
56.05030	1.2
56.96563	4.6
60.07871	0.5
60.08161	6.5
61.61597	0.3
62.06079	0.4
67.05494	1.6
69.07069	0.5
70.06576	0.5
71.07366	5.5
72.08149	1.0
74.32056	0.4
79.05495	0.8
79.73522	0.3
81.07034	1.7
83.04958	0.3
86.09698	22.6
87.81251	0.4
91.05467	0.6
91.52061	0.3
93.07040	1.1
94.37894	0.4
95.04973	0.6
95.08605	1.0
97.16672	0.3
97.96809	0.4
102.92635	1.0
104.10735	100.0
105.07020	0.5
105.11069	0.8
107.08588	0.7
110.97628	0.5
118.92066	0.8
119.08574	1.0
121.10163	0.9
123.08002	0.3
124.99990	1.2
128.98611	0.7
133.10127	0.5
134.28728	0.3
136.93105	2.7
145.10150	0.4
146.99667	0.9
154.94148	4.9
155.08421	0.4
162.94690	1.4
165.09181	0.4
167.10780	0.4
171.11819	0.4
172.95235	4.8
175.11295	0.4
180.95683	6.5
181.02682	0.4
190.96277	2.1
198.96780	18.8
210.96809	1.4
216.97818	12.6
216.99867	0.7
221.15404	0.4
221.98422	1.1
227.09454	0.5
228.97821	2.5
236.98270	0.5
239.99440	0.5
240.09959	1.7
244.02443	0.5
245.10590	0.4
254.99329	2.1
258.04071	0.4
279.12653	0.4
282.04108	1.1
290.51511	0.4
296.05634	0.4
300.05188	1.1
314.06793	0.9
317.17841	25.0
318.18179	1.1
328.57703	0.4
335.18890	10.7
336.19250	0.5
358.20529	2.0
373.20273	0.9
397.14642	0.6
437.17471	2.1
441.17020	1.8
453.17139	2.7
471.18127	4.1
497.19598	4.5
500.24423	9.7
501.24673	0.5
524.34369	0.5
556.27051	18.1
616.28979	10.1
616.40637	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98643	0.2
89.03919	0.4
103.60718	0.2
104.43072	0.2
105.07069	0.2
110.65134	0.2
117.03392	0.5
125.04966	0.2
135.04417	0.5
145.02844	0.7
150.31679	0.2
163.03893	3.1
168.96291	0.2
219.62006	0.2
231.13571	0.3
249.14670	0.2
294.05304	0.2
314.50754	0.2
409.11081	1.3
450.34811	0.2
492.17648	0.2
582.59186	0.2
587.33392	0.2
602.23596	0.3
617.25616	100.0
618.25891	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	617.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50387	1.9
59.03393	1.6
62.88315	1.9
89.06063	4.7
91.93623	1.9
103.07202	2.1
104.54849	1.9
144.49615	1.9
264.11441	2.6
279.13879	7.6
284.91846	2.0
297.14774	3.8
303.13849	3.4
304.14297	3.2
306.12189	9.6
318.12219	3.5
318.48221	2.9
319.13049	21.5
321.14786	4.2
335.12634	5.5
336.13312	14.1
337.14014	5.9
543.60522	2.1
617.28723	100.0
618.29077	8.5
645.41864	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35304	3.2
58.06557	3.6
62.35276	3.9
69.07082	3.2
69.11179	20.5
81.07043	5.5
83.04993	4.0
89.06014	6.3
91.05466	4.7
93.07025	9.3
95.04955	3.9
95.08603	4.6
105.07025	12.3
107.08593	5.3
109.06502	3.5
109.10133	5.0
119.08585	6.5
121.10159	7.6
133.08670	4.0
133.10144	6.1
135.97539	4.0
136.90173	3.7
145.10123	6.5
147.11731	4.0
151.07558	3.1
157.10095	3.5
159.11676	6.1
161.13261	3.7
167.10631	5.7
169.10164	4.8
181.12344	4.4
185.67471	3.7
221.15350	5.2
222.77560	3.7
257.03827	3.5
271.94388	3.3
339.12064	26.9
617.30817	100.0
617.40930	7.7
618.31146	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	617.329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31128	1.4
55.05507	1.9
57.07056	2.1
62.79835	1.6
67.05501	2.3
69.07043	2.5
70.67337	2.8
79.05466	3.1
81.07043	6.0
83.04954	1.4
85.75260	1.3
86.09675	1.8
91.05477	5.1
93.07010	8.1
95.04972	2.1
104.10716	4.4
105.07035	5.5
107.08588	4.9
109.02625	4.5
109.06461	1.6
117.07012	4.2
119.08556	4.5
121.06477	1.9
121.10152	2.7
123.04169	3.6
129.06984	1.9
131.08548	4.0
133.10136	3.2
145.10130	2.1
149.13335	2.3
155.18456	1.5
159.11693	5.4
161.09677	2.1
221.15428	1.7
223.09366	22.9
257.15195	6.4
259.12933	1.6
317.17136	23.0
323.14606	100.0
324.15042	1.7
417.22229	2.0
559.28223	3.0
601.52673	1.8
617.32831	87.3
618.23895	2.1
618.33081	3.5
632.18115	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3502
Annotation	Cussovantoside C
Peak:m/z	Relative Intensity
52.10659	0.5
69.07975	3.3
71.59122	0.5
79.05487	0.5
81.07034	0.8
83.08621	0.7
85.02886	0.6
89.60595	0.5
95.08567	0.7
97.06522	0.7
121.10175	0.7
133.12761	0.6
135.04442	0.6
137.70714	0.5
163.03841	1.1
209.41342	0.6
245.06378	0.9
289.05258	1.4
295.06036	0.7
323.05701	0.6
351.28851	1.3
365.14639	0.6
369.29797	4.4
387.70953	0.6
513.34052	2.5
531.35077	6.6
555.34949	4.4
573.36047	20.6
574.36426	1.7
581.32544	0.6
599.33978	12.4
617.35016	100.0
618.35376	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	617.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16276	0.5
54.88992	0.5
67.05509	0.8
69.03381	0.7
79.05485	0.7
81.07040	1.6
85.02880	0.8
89.03915	0.8
95.04966	0.9
97.06527	4.4
103.60592	0.5
107.04953	0.6
121.10074	0.6
125.34843	0.5
135.04430	2.0
139.03888	1.3
145.02847	1.3
149.02406	0.6
163.03876	6.0
181.04932	0.9
201.36662	0.6
203.05257	2.3
221.05965	1.3
227.05214	1.0
229.03253	0.8
231.10141	1.6
245.06308	8.7
249.05560	1.0
267.06610	1.1
271.04166	0.8
277.04974	0.7
277.10815	0.7
289.05270	26.3
290.05640	0.7
295.06094	1.7
323.05356	2.5
351.28653	6.9
369.29691	8.6
370.29581	0.7
405.11823	0.6
409.11066	0.8
503.61530	0.7
531.35077	2.5
555.34937	1.2
569.32648	1.0
573.35962	13.0
574.36365	1.0
599.34003	7.2
600.35120	0.6
617.34991	100.0
618.35205	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14517	0.5
54.45741	0.5
55.04621	0.5
70.62799	0.8
88.31501	0.5
223.00641	0.6
238.98569	0.6
289.05444	0.7
351.28879	1.1
369.29782	3.3
491.06946	0.6
507.19141	0.6
513.33972	2.0
531.34808	5.3
555.34955	2.7
573.26862	1.1
573.36047	21.8
574.36420	1.1
585.19751	0.6
599.33881	8.4
617.35040	100.0
618.35126	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	618.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
56.05041	1.5
56.96288	0.3
56.96560	4.9
57.14534	0.3
58.06591	0.9
60.07866	0.5
60.08161	6.9
67.05500	0.7
69.07041	0.3
70.06596	0.4
71.07367	5.8
72.08141	1.1
72.96030	0.6
73.59492	0.3
81.07043	0.9
86.09700	22.1
93.07025	0.5
95.08583	0.3
98.97647	0.4
102.92593	1.5
104.10734	100.0
105.11053	0.9
106.84482	0.3
109.10120	0.7
118.92066	0.9
125.00002	1.5
136.93097	3.1
146.99544	0.3
154.94165	4.6
162.70662	0.3
162.94704	1.2
169.05330	0.3
172.95227	6.5
180.95700	7.4
181.02696	0.3
188.94679	0.3
189.04416	0.3
190.96284	3.3
198.96773	24.8
210.96770	2.1
216.95740	0.7
216.97839	13.8
221.98451	1.1
228.97798	3.2
236.98300	0.6
239.09573	0.3
239.99432	0.4
240.09875	2.3
246.98828	0.4
254.99419	1.2
255.03697	0.3
258.04074	0.4
273.00430	0.4
282.04111	1.0
283.02121	0.4
300.05237	1.0
314.06839	0.8
319.19385	12.1
320.19830	0.4
335.19025	0.5
337.20462	19.9
338.20975	0.6
355.21619	0.6
360.22119	1.5
375.22049	0.7
394.03851	0.3
439.19058	1.4
443.13077	0.4
443.18423	1.8
455.18863	1.3
473.19739	6.1
496.21155	0.3
499.21289	4.7
502.25998	10.9
558.28638	15.5
559.28912	1.1
618.30762	11.1
619.31537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08908	4.7
51.62732	3.4
51.68572	3.5
55.05505	26.5
57.07063	25.7
62.99962	3.7
65.03916	4.3
67.05505	20.7
69.03423	9.2
69.07062	8.8
69.24912	9.7
69.25313	15.4
71.05012	4.2
71.47696	3.8
79.05508	19.8
80.31209	3.9
81.07040	36.7
83.04970	6.3
83.08618	34.7
85.06535	8.3
87.04461	100.0
89.06033	8.2
91.05479	36.5
93.07032	43.0
95.04955	27.8
95.08587	19.7
97.06524	11.3
103.87957	4.1
105.07024	89.5
105.07726	4.4
106.07290	5.6
107.08578	36.7
109.06505	11.8
109.10165	7.4
111.08071	6.6
113.05513	3.8
117.07008	14.6
119.08556	52.6
121.06504	12.2
121.10177	24.9
123.08058	21.2
125.06010	6.7
125.09615	7.5
128.06241	11.0
129.07005	15.4
130.07787	7.0
131.08560	45.1
132.09303	5.5
133.10106	24.3
135.08037	15.8
135.11717	6.2
136.35834	4.4
137.09575	8.8
139.11137	6.0
141.07024	5.1
142.07790	15.5
143.08539	29.3
143.59779	3.7
144.09315	5.0
145.06474	4.6
145.10106	48.3
147.07990	22.4
147.11728	9.8
149.09668	9.7
151.07515	7.2
155.08556	14.1
156.09337	14.1
157.10121	44.4
158.10764	6.6
159.11681	21.1
160.08861	7.9
161.09648	11.1
161.13249	6.8
163.11160	9.4
165.09109	19.7
165.21930	4.3
167.08606	5.1
167.10684	7.0
169.10155	17.2
170.10822	4.3
171.11626	19.2
172.12485	8.0
173.09610	7.9
173.13240	11.2
175.11194	11.7
177.31258	4.9
179.08530	4.6
181.10056	6.1
181.12219	15.0
183.11681	11.0
185.09621	4.8
185.13252	12.6
187.11220	6.2
187.14792	7.9
189.12791	9.3
190.13593	6.1
193.10112	5.8
193.12227	6.9
195.11766	10.8
196.12486	4.8
197.13292	14.4
199.11082	5.4
199.14844	5.1
203.14333	11.2
207.11722	6.6
207.13803	7.8
208.12503	5.6
208.14598	9.4
209.13199	11.6
209.15294	4.3
211.14784	8.8
213.12825	5.3
221.15363	48.7
225.14635	7.8
233.15413	10.2
234.16020	8.1
241.15886	3.8
247.16974	7.3
249.16266	5.2
271.17169	5.1
286.19263	4.9
287.20078	43.3
299.19980	9.7
325.21570	13.0
352.23883	51.4
365.24661	10.5
387.88791	4.8
395.25952	4.9
472.32047	4.6
525.35535	9.4
538.36487	75.5
614.24017	4.4
618.42126	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
53.98786	4.0
55.05509	44.8
57.07066	19.7
59.04997	4.8
59.60676	4.0
67.05515	23.8
69.03423	16.0
69.07070	8.8
69.71449	9.2
71.04996	6.9
72.69526	4.1
75.33204	3.6
79.05489	37.8
81.07043	46.2
83.04966	14.9
83.08608	51.3
85.06525	9.6
87.04449	62.8
91.05464	53.9
93.07040	65.1
95.04943	30.3
95.08608	44.2
97.06534	23.7
98.22780	8.5
99.42394	4.6
105.04543	7.1
105.07021	95.7
107.04930	5.8
107.08586	51.5
108.08971	4.3
109.06506	21.4
109.10152	15.7
111.08060	10.3
116.06238	6.2
117.06986	28.4
119.08567	83.1
120.09354	7.7
121.06482	17.7
121.10128	47.0
122.74977	4.8
123.08054	27.9
125.05974	7.5
125.09583	13.2
128.06223	12.1
129.06990	29.7
130.07794	9.8
131.08551	57.3
132.09328	6.3
133.06590	5.5
133.10144	31.6
135.08057	21.9
135.11682	6.6
137.09637	14.1
139.11140	6.0
141.06987	5.4
142.07735	27.5
143.08549	41.7
144.09355	19.5
145.06458	7.3
145.10106	73.8
147.08066	31.2
147.11713	15.9
149.09601	12.1
151.07555	12.9
155.08557	16.3
156.09335	17.0
157.10120	54.2
158.10919	14.4
159.08052	9.5
159.11687	36.6
160.08823	13.2
161.09651	12.1
163.11194	18.4
164.17326	4.3
165.09091	39.6
167.08537	8.3
168.09337	8.2
169.10106	22.6
170.10983	5.7
171.10358	5.5
171.11630	27.3
172.12396	5.1
173.09657	8.5
173.13252	14.1
175.11186	16.9
179.08566	9.4
179.14395	4.7
181.10080	17.2
181.12230	22.2
182.10887	5.4
183.11685	25.5
184.12454	6.6
185.13213	13.2
187.11258	10.3
189.12721	12.0
190.13544	10.8
190.60687	4.2
193.10146	12.7
193.12239	12.2
194.10986	7.2
195.11678	19.7
196.12503	4.7
197.13251	27.1
199.11285	9.0
201.12758	6.1
203.14345	14.6
207.11688	11.3
207.13824	12.5
208.14566	14.9
209.13223	16.0
211.11154	5.9
211.14774	11.7
212.15315	4.4
213.12717	8.7
215.14450	4.3
219.13779	8.7
221.13278	10.1
221.15294	72.7
223.14894	10.5
224.15544	5.4
225.12906	6.2
225.14906	13.6
233.15404	14.8
234.16113	20.4
237.12761	10.9
243.17456	4.4
247.17088	9.8
277.21643	6.8
286.19418	7.5
287.20004	55.2
293.18890	4.5
299.19968	13.5
325.21939	11.2
337.21579	10.2
339.23007	5.3
352.23920	81.4
353.24484	6.9
365.24759	15.9
395.25800	9.3
438.31555	4.6
472.31952	8.7
498.04456	4.8
525.35645	10.8
538.36438	100.0
539.36133	9.9
618.42267	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	618.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36434	1.6
53.03936	2.3
55.01862	2.2
55.05503	41.3
57.03405	1.5
57.07057	6.0
58.87077	1.6
59.05005	2.4
65.03911	4.3
67.05495	24.3
68.24641	1.5
69.03423	8.7
69.07054	17.7
71.04976	6.6
72.11903	1.5
72.66281	1.6
77.03903	3.5
79.05479	34.1
80.06257	3.8
81.07043	45.8
83.04962	21.0
83.08606	63.9
85.06531	8.6
86.09654	2.3
87.04447	4.7
91.05464	47.7
93.06435	3.6
93.07032	64.2
95.04952	35.7
95.08599	28.8
96.05750	1.9
97.06514	21.7
97.10143	2.7
99.04432	6.6
99.08098	2.2
103.05411	4.2
104.10725	11.9
105.07014	100.0
107.04945	7.3
107.08572	61.3
109.06502	18.0
109.10148	27.5
111.08064	7.0
113.05972	1.6
113.09602	9.8
115.05421	6.3
116.06230	3.4
117.06993	24.5
119.04929	2.5
119.08567	76.3
120.09357	3.0
121.06477	11.7
121.10120	51.4
123.08046	22.8
123.11675	8.9
125.09614	21.1
128.06212	13.4
129.06975	22.2
130.07765	7.6
131.08545	50.4
132.09285	5.1
133.06456	2.5
133.10115	51.4
133.11148	2.6
135.08018	13.6
135.11665	8.0
137.09583	5.1
139.11154	12.6
141.06963	11.7
142.07759	23.3
143.08548	48.5
144.09334	13.1
145.06470	5.8
145.10101	75.5
146.07220	2.7
146.10823	3.3
147.08029	12.7
147.11679	19.4
148.08769	2.0
149.09573	15.8
151.07483	2.1
151.11125	4.2
153.06996	6.3
154.07762	4.1
155.08551	19.8
155.10622	13.0
156.09334	21.4
157.10106	63.3
158.07233	2.0
158.10881	8.1
159.08038	14.5
159.11671	37.9
160.08849	13.2
161.09593	15.9
161.13237	7.0
163.11136	5.9
165.06929	10.4
165.12729	2.9
166.07747	4.7
167.08534	14.1
167.10625	18.3
167.14345	2.1
168.09279	6.3
169.10115	34.2
170.10863	6.3
171.08015	3.0
171.10223	3.2
171.11642	33.2
172.08757	1.7
172.12390	4.5
173.09616	8.8
173.13220	15.6
174.10356	2.4
174.13707	2.0
175.11110	12.0
175.14742	3.1
177.12712	2.6
178.07729	3.2
179.08545	10.5
179.14343	4.2
180.09331	6.9
181.10124	15.3
181.12189	25.5
182.10925	12.2
182.12375	2.5
183.11668	31.5
183.13429	3.2
184.12415	6.3
185.09636	4.6
185.13222	21.4
186.14037	3.0
187.11163	6.4
187.14650	8.0
189.12701	5.8
190.13406	5.0
191.14270	10.9
192.09314	4.7
193.10081	17.4
194.10864	9.9
195.11700	28.1
195.13588	3.8
196.12422	7.2
197.09543	2.7
197.13197	33.5
198.13956	2.2
198.96761	3.7
199.11130	5.6
199.14784	16.7
201.12695	4.5
201.16367	3.7
203.14259	6.8
205.10085	5.2
206.10909	7.0
207.11653	19.1
207.13550	4.0
208.12445	9.5
208.14444	3.4
209.13255	25.3
209.15190	3.6
210.13916	5.9
211.11145	3.4
211.14789	23.6
212.15540	3.1
213.12640	7.9
213.16385	6.9
215.14279	21.9
217.09888	1.8
217.15793	3.0
218.10844	2.5
218.16646	3.6
219.11581	5.4
219.13667	2.3
220.12384	5.6
221.13190	13.2
221.15356	19.6
222.13972	3.3
223.14786	15.4
224.15630	2.4
225.12659	5.6
225.14803	10.9
225.16408	6.4
227.14194	5.9
228.14891	2.0
228.38171	2.1
229.15804	3.3
231.11589	2.7
231.17380	4.4
232.12373	2.1
233.13113	9.6
233.15343	39.3
234.13831	3.8
234.16016	3.7
235.14880	9.0
235.16872	2.9
237.12645	2.1
237.16519	12.5
239.14264	3.4
239.17935	2.9
241.15802	5.8
243.11589	2.3
244.12427	3.3
245.13199	4.4
245.15411	2.1
246.13972	3.7
246.16222	3.2
247.14716	8.7
247.16989	4.9
249.16371	10.2
251.14200	2.1
251.17924	4.5
253.15733	3.4
255.17419	34.3
257.13159	3.4
257.18857	3.8
258.13870	2.9
259.14713	6.1
260.15448	4.0
261.16348	6.8
262.17310	2.4
263.17847	7.4
265.19458	5.5
267.17380	2.7
268.18347	2.7
269.18948	6.2
270.19730	9.1
271.20401	3.2
273.16077	3.6
273.18610	4.1
275.17813	5.1
277.19366	6.1
279.17496	2.4
281.19040	4.0
282.19742	4.5
283.20496	6.8
285.18484	5.1
286.19250	3.9
287.20190	4.0
289.19528	4.1
294.19714	2.3
295.20462	4.9
297.18643	3.2
297.21927	1.8
298.19244	1.9
299.20010	7.4
303.21182	2.5
307.20630	3.7
311.19977	2.3
312.20795	2.8
313.21799	2.5
315.21317	2.5
319.20258	1.8
322.22949	2.5
323.23648	2.2
330.23346	2.5
331.24207	2.2
335.23633	2.5
337.20718	2.0
337.25171	5.1
345.21902	2.5
347.23538	6.0
349.25323	3.6
360.24368	3.4
361.25153	2.3
365.24640	7.3
367.26099	5.8
375.26517	2.9
383.25702	14.3
399.26492	3.5
411.30777	1.9
414.29007	1.9
429.31516	3.3
457.30872	4.9
567.37872	2.2
582.39825	2.7
585.38947	1.9
595.34174	2.3
600.41351	3.1
618.43384	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	618.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	52.2
57.07066	27.7
58.89481	7.1
65.94746	6.0
67.05495	24.5
67.44318	5.9
68.86176	7.9
69.03409	10.0
69.07066	17.2
71.04972	11.4
71.43186	8.3
71.43568	6.6
75.99899	6.5
79.05488	31.3
81.07042	32.0
83.04966	9.3
83.08608	44.7
85.06528	7.7
87.04454	100.0
91.05469	56.3
93.07059	43.1
95.04962	28.5
95.08589	22.5
97.06516	20.7
105.07019	76.7
106.60199	7.2
107.08595	50.8
109.06508	14.4
109.10133	25.2
117.06994	21.4
119.08558	85.5
121.06515	14.6
121.10143	31.0
123.08053	23.1
125.09587	10.0
128.06248	10.3
129.06990	21.9
130.07797	14.2
131.08545	29.0
133.10121	37.0
135.08005	13.1
137.09613	8.5
139.11200	13.1
141.07028	13.5
142.07777	24.6
143.08543	44.4
144.09372	10.6
145.10080	50.7
147.07983	10.8
147.11676	18.5
149.09648	10.4
149.13292	7.1
155.08534	22.3
155.10612	12.9
156.09363	21.1
157.10101	54.9
158.10799	11.8
159.11674	29.5
160.08864	16.9
161.09621	11.9
165.06978	9.7
167.08553	9.2
169.10223	16.0
170.10921	11.8
171.11679	30.3
173.13307	12.1
179.08537	9.2
180.09274	8.6
181.09982	10.1
181.12244	14.5
183.11653	23.3
185.13242	19.0
189.12753	11.5
193.10065	12.2
195.11707	23.3
196.12479	9.5
197.13200	18.0
199.14787	13.2
205.10239	7.9
206.10928	9.7
207.11655	10.1
207.13684	7.1
209.13251	13.6
211.14780	10.4
221.15294	13.5
225.14825	20.4
233.15408	9.9
234.16153	8.2
261.16397	8.9
287.19855	8.1
352.23889	10.8
365.24597	8.5
534.03284	8.2
538.35999	12.8
618.42303	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	619.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	4.7
67.05490	7.0
70.11941	7.0
79.05444	5.5
80.66453	3.8
81.03410	5.3
81.07034	4.0
81.11539	4.0
83.08588	4.3
91.05476	5.3
93.07053	6.2
95.08591	6.6
96.95808	3.8
105.06974	5.5
107.08547	5.7
119.08549	5.8
131.79814	4.0
147.11737	4.4
206.04156	4.7
239.06738	15.5
282.07532	3.9
323.22574	4.0
330.32144	4.2
350.80182	4.1
419.14639	100.0
445.63831	4.1
454.43396	4.0
526.36212	5.5
531.19458	4.7
604.50043	4.5
619.25305	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
55.05506	8.2
57.03428	4.1
57.07068	1.6
67.05497	16.6
69.07069	10.4
69.19598	5.0
79.05491	5.4
81.07051	16.8
83.04982	1.1
83.08623	4.0
87.04429	0.8
91.05471	4.1
93.07038	4.8
95.08605	11.9
97.06532	1.4
97.10172	1.7
104.10796	0.7
105.07024	2.5
107.08580	2.6
109.10162	4.5
118.47558	0.8
119.08573	1.4
120.96648	1.7
121.10165	2.2
121.74164	0.8
123.11698	1.5
133.10121	1.9
135.11693	1.4
176.99307	1.3
203.05276	5.7
240.64526	1.0
265.00778	4.0
283.01868	100.0
284.02405	1.1
321.14560	8.4
324.04572	1.7
337.27341	20.7
439.22363	1.2
533.95239	0.8
559.89795	0.9
596.34857	1.0
619.28503	17.7
620.28906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.9
69.34403	3.4
71.36954	0.6
76.71540	0.6
80.65764	0.6
127.32806	0.6
283.01910	2.0
321.14572	100.0
322.14865	4.1
339.15619	0.9
362.17239	2.5
439.22128	1.2
578.33112	0.9
619.27191	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	619.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16703	5.1
81.05915	0.7
96.87302	0.6
112.46008	0.7
123.09821	0.7
175.28114	0.8
301.74429	0.8
321.14560	100.0
322.14908	3.1
342.92163	0.8
362.17212	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
67.05490	4.3
69.07075	3.5
69.84943	6.3
79.05493	4.8
81.07052	5.3
83.04943	2.0
83.08591	3.6
86.68496	2.2
91.05477	9.1
93.07034	6.1
95.04939	2.8
95.08613	4.1
104.10736	3.3
105.07021	13.8
107.08562	4.5
107.63731	1.9
117.07011	6.4
119.08562	10.5
121.10172	3.0
131.08571	4.3
133.10139	4.9
141.05211	6.4
145.10123	2.3
147.11760	2.4
159.11676	6.8
161.13226	6.4
223.09392	8.6
241.10440	17.7
301.17703	5.8
341.15662	100.0
342.16159	3.8
401.22717	2.0
524.16931	2.0
619.24280	3.5
619.34387	69.7
620.35187	2.5
622.23004	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05508	5.8
56.28599	0.4
57.03431	1.5
61.02920	0.9
63.36213	0.4
63.62345	0.4
65.16355	0.4
67.05506	1.9
67.68543	0.4
69.03441	0.7
69.21970	2.6
71.04993	0.5
81.03410	0.6
83.04978	43.3
83.40935	0.4
85.02901	88.0
86.03231	0.6
87.04464	1.0
91.05512	0.5
91.85098	0.4
97.02863	1.2
99.04488	0.6
108.04498	0.4
109.02872	2.6
111.04441	28.3
121.75774	0.5
127.03905	8.3
129.05473	11.0
151.07524	1.2
171.06516	100.0
172.06837	1.4
187.05986	0.4
218.07532	0.4
231.08640	15.6
293.37311	0.5
338.32651	0.4
419.64261	0.4
602.86542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1809
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
51.34711	0.3
55.05503	1.9
57.03412	0.6
61.02913	1.1
69.03423	38.3
69.10281	0.3
69.77232	1.1
71.01337	0.9
71.04987	4.4
78.60024	0.3
81.03417	0.3
83.04974	10.4
85.02893	4.0
87.04455	0.7
87.24834	0.3
91.83379	0.3
111.04439	9.3
121.00925	0.3
121.02845	1.5
129.05463	19.8
137.02350	0.7
137.05925	0.4
145.06085	0.5
146.53513	0.3
147.04434	0.6
153.01820	2.2
155.38454	0.3
165.01813	1.2
183.02853	0.7
185.05974	0.5
189.07571	6.5
213.05336	0.4
213.99275	0.3
216.74174	0.3
241.04927	0.5
258.05188	0.5
287.05463	100.0
288.05902	1.6
299.05600	0.5
379.08286	0.6
397.09024	0.5
433.11310	6.3
546.07196	0.5
573.70789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.35685	0.5
50.69162	0.5
57.34745	0.4
65.04546	0.6
71.23615	0.4
131.54568	0.4
163.76118	0.6
271.12402	0.4
300.14792	0.6
308.13284	0.5
374.15182	0.8
375.15964	0.7
376.16571	0.6
387.16010	1.1
388.17047	1.4
389.17694	3.6
390.18219	1.1
391.19125	1.0
401.18161	0.8
402.14102	0.8
402.18536	1.3
403.19516	5.0
404.19894	3.1
405.20721	1.9
415.19794	0.9
416.15891	1.0
416.20761	0.9
417.16125	3.6
417.21164	2.1
418.17224	0.6
418.22079	0.8
419.22440	7.5
420.22736	1.3
429.16644	0.6
429.21463	0.6
430.17786	0.8
431.17975	7.1
431.23694	0.7
432.19046	3.5
433.20004	2.6
443.18790	0.6
444.19217	1.0
445.20187	7.5
446.20929	6.9
447.21729	9.5
448.22836	0.6
459.22769	3.0
460.22913	0.6
461.19629	1.0
473.19785	1.5
474.20410	6.1
475.21219	6.9
476.22247	0.7
477.22855	0.6
487.21161	2.8
488.13071	0.5
488.21826	0.9
491.20938	1.6
501.22815	2.0
504.21048	0.8
505.25867	1.9
518.23303	0.6
519.21002	0.7
529.22522	1.0
533.25482	14.3
534.25580	0.9
561.24915	21.7
562.25305	1.6
589.24506	1.1
593.27429	4.5
621.26971	100.0
622.27289	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	622.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16469	1.9
55.05507	8.2
59.65699	2.4
65.71082	2.1
67.05506	7.6
69.03409	3.0
69.07055	18.1
71.05003	3.5
79.05483	9.4
81.07035	11.6
83.04960	11.0
85.06572	4.1
91.05466	39.7
91.05985	3.4
93.07054	10.6
95.04940	17.9
95.08615	8.8
97.06526	4.7
103.05455	2.8
105.07018	53.4
107.08592	7.7
108.18677	2.0
109.06525	8.8
115.05450	7.3
116.06250	2.1
117.07002	57.1
119.04954	4.5
119.08566	15.8
121.06516	6.1
121.10150	5.4
123.08079	3.1
128.06215	15.9
129.06995	35.9
130.07782	8.9
131.08551	45.0
133.06468	4.9
133.10107	18.9
135.08029	5.3
141.06992	3.4
142.07777	15.5
143.08556	41.3
145.06500	4.8
145.10095	61.5
147.08034	6.7
147.11687	3.1
149.09618	7.7
153.06998	5.8
155.08521	18.2
156.09341	5.9
157.10104	24.7
158.07263	2.9
159.08098	4.5
159.11685	13.2
161.09604	10.5
165.06978	4.7
168.09375	2.6
169.10141	5.3
170.11050	3.1
171.08049	5.1
171.11674	11.2
173.09599	100.0
173.11113	4.9
173.13107	3.5
175.11151	14.9
175.14783	3.2
185.13254	30.2
187.11157	5.0
189.12788	6.5
191.10616	15.1
195.11632	11.4
198.10524	2.8
201.12775	2.1
203.14317	19.3
213.12743	26.7
231.13770	50.5
249.14859	7.9
329.20853	3.8
362.14615	2.1
371.31989	2.6
409.95715	2.2
439.08304	2.8
577.14349	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	623.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.6
57.07098	1.7
59.90455	1.9
63.50291	2.1
67.05500	19.0
69.07066	11.9
69.73910	5.5
70.13968	1.8
73.99401	1.7
75.90870	1.7
79.05479	16.6
81.03428	7.1
81.07051	21.0
83.04984	3.3
83.08616	8.0
85.06546	2.1
86.43133	1.8
91.05475	20.1
91.36407	1.7
93.07033	16.1
95.04969	7.9
95.08604	11.0
97.10177	8.0
105.07031	19.7
107.08604	7.6
109.06467	4.2
109.10172	5.2
111.08086	1.8
115.05460	2.5
117.07032	12.0
118.85955	1.7
119.08547	10.0
121.06451	2.2
121.10123	2.6
123.11704	2.6
125.09638	5.7
128.06189	4.4
129.07018	9.0
131.08549	13.0
133.10138	7.3
135.11703	2.9
141.06996	4.6
142.07805	2.4
143.08585	11.9
145.10115	13.0
147.08061	2.5
153.06981	2.2
155.08586	8.0
157.10126	6.2
159.11713	4.4
167.08591	4.0
169.10129	6.7
171.11719	5.0
173.09654	7.5
173.13237	2.3
175.11177	2.1
179.08617	3.1
180.09351	2.2
181.10127	4.0
183.11739	6.1
185.13260	4.5
189.11292	4.5
195.11731	4.0
197.13281	3.6
207.11723	2.5
209.13264	2.2
211.14864	2.4
213.12770	3.0
221.13322	2.7
225.16432	2.2
227.12743	3.7
229.30579	1.9
231.13841	4.1
239.17967	2.1
275.20093	3.0
291.19571	8.3
307.48383	2.2
391.19217	3.5
401.17667	2.6
405.20905	3.2
407.22137	3.4
413.17322	2.6
415.19208	6.8
429.20825	4.8
435.21954	3.7
443.22931	4.0
444.19568	5.3
445.20029	2.9
447.17960	4.6
457.20889	3.0
462.20139	4.1
471.21786	7.2
473.19229	3.3
474.20291	3.3
475.22321	2.6
485.19675	3.6
486.20288	3.7
489.23337	10.6
490.19595	4.0
499.21179	16.6
500.18692	3.5
501.22617	6.1
503.20712	6.2
517.22369	12.4
525.35413	2.6
527.21002	2.3
529.22180	10.1
535.23425	3.4
545.21796	50.0
546.21521	2.9
573.21075	17.1
577.25061	2.4
605.23889	100.0
605.41772	6.8
606.24103	6.3
623.25031	75.6
623.42590	34.9
624.25275	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81498	3.6
71.62045	3.8
72.61636	4.6
78.97827	3.6
92.19963	3.8
98.22647	12.8
99.27016	3.6
109.28236	4.1
111.35333	3.6
163.93185	3.6
405.21036	6.3
406.21286	8.3
407.22467	18.3
420.22864	5.2
421.23843	17.6
422.24323	5.6
429.20959	4.0
443.22147	5.2
475.20874	7.8
476.21957	7.7
477.22955	6.2
485.23425	9.0
489.22702	5.7
499.21045	14.0
503.24213	15.5
535.26929	11.5
545.25336	45.2
573.24695	10.2
591.26501	5.0
605.27722	19.4
621.12524	4.5
623.18970	6.2
623.28638	100.0
624.28894	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06768	1.2
51.01207	1.2
52.11761	1.3
71.89037	1.6
73.06551	1.3
79.14709	1.5
89.06022	8.7
133.08662	5.1
177.11209	4.0
254.97310	1.7
389.17859	2.2
391.08255	1.7
391.19208	3.0
392.19910	2.5
404.20776	1.6
405.20868	4.4
406.21353	3.0
407.22186	9.9
413.17737	1.6
414.18393	1.8
420.23434	1.7
421.23801	9.5
422.24826	2.4
428.19858	3.2
429.20648	8.8
430.21964	3.3
443.22214	4.6
444.23062	3.6
447.17584	1.6
457.24060	2.8
458.24796	5.6
459.21448	8.2
461.19717	5.2
462.20145	3.0
468.22522	1.7
472.22800	7.4
473.23550	4.2
475.21280	4.9
476.22119	4.8
477.22775	3.1
485.23621	13.6
486.24075	4.8
489.22818	3.9
499.21741	3.3
500.22141	2.9
503.24380	10.4
513.22607	3.4
514.23663	2.0
515.25140	1.9
517.25970	8.6
529.26532	1.9
535.27185	5.1
545.25439	93.1
546.25641	5.6
564.27448	2.2
573.24896	23.6
591.25574	3.1
605.27527	99.7
606.27820	7.4
623.28564	100.0
624.28986	4.5
644.25775	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
54.39025	1.8
55.01868	2.7
55.05512	15.9
57.03428	5.7
61.02916	20.9
65.03926	2.7
65.92474	1.9
67.05499	29.5
69.03425	5.3
69.07053	10.3
73.02903	7.5
77.65416	1.8
79.05481	26.9
81.03391	4.9
81.07044	29.2
83.04952	4.2
83.08604	7.3
85.02891	15.8
85.06570	3.0
91.03960	10.0
91.04938	3.3
91.05470	40.0
93.07027	33.8
95.04960	9.3
95.08585	15.3
97.02887	13.0
97.06532	6.1
97.10167	3.2
103.05445	2.0
105.04554	2.4
105.07016	36.5
106.68849	2.1
107.04939	3.7
107.08576	12.7
109.06512	4.9
109.10142	7.7
111.08079	4.2
115.05466	3.7
117.07016	27.0
119.08581	15.7
121.06497	5.6
121.10133	8.0
121.92724	2.1
123.08043	4.7
125.09614	2.0
127.03900	3.4
128.06192	6.1
129.06990	33.9
131.08537	33.5
133.06458	5.4
133.10115	7.3
135.08026	7.9
135.11673	4.3
137.09650	2.6
141.06985	15.8
142.07758	4.3
143.08551	26.3
145.06479	7.6
145.10107	17.3
147.08022	4.8
147.11699	5.0
149.09634	4.9
149.13306	2.4
154.07706	3.6
155.08537	21.5
157.06541	4.0
157.10132	14.8
159.08087	5.8
159.11705	8.4
161.09634	4.4
161.13284	3.9
163.11201	2.9
167.08546	15.4
169.10115	15.5
171.08086	2.6
171.11641	9.0
173.09575	3.5
175.11163	3.2
177.12730	3.0
178.84415	2.0
179.08566	3.7
181.10083	7.2
183.11682	8.9
185.09602	3.1
185.13249	6.1
187.11176	4.0
187.14795	3.1
192.09340	2.3
193.10155	6.9
194.10840	2.8
195.11670	11.0
197.13261	7.9
199.11316	2.5
199.14842	3.7
201.12791	3.1
207.11720	4.9
209.13242	7.9
211.11249	2.9
211.14865	4.0
213.12837	4.2
213.16386	3.1
215.14273	8.9
221.13194	9.9
223.14784	4.4
235.14819	4.8
239.14301	7.6
241.15787	4.4
244.48479	2.0
249.16336	2.6
253.15950	3.6
257.15271	3.3
259.17023	2.2
271.17010	3.2
275.16260	2.6
285.18787	2.2
315.21213	2.1
323.23642	6.9
333.22125	13.4
341.24817	6.7
351.23135	46.9
369.24203	31.1
387.25336	19.6
425.26620	7.4
443.27893	100.0
444.28024	3.9
461.23935	2.4
461.28906	63.5
462.29065	3.4
503.29907	2.7
540.93451	2.3
595.17999	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02567	0.8
69.03438	0.9
69.07060	1.7
71.04983	1.4
82.54054	1.0
83.04959	1.0
86.09697	100.0
87.47621	0.8
89.29641	0.9
91.05470	9.3
98.22630	1.7
103.05460	2.4
105.03407	2.1
107.05008	1.2
118.06529	28.5
119.04933	1.1
119.07355	6.4
120.08095	12.2
130.06468	1.4
136.07593	4.9
146.05989	65.4
147.06311	1.6
156.13815	11.8
162.05508	2.8
165.06956	2.0
166.07797	1.0
167.08566	1.7
169.10143	1.2
169.97752	0.8
174.12769	2.2
178.07784	2.9
179.08546	2.3
181.10062	1.1
182.08186	2.2
184.13315	12.2
186.12822	1.9
188.14395	2.3
191.08528	2.5
195.08014	1.6
198.06662	1.4
203.15512	3.1
207.08063	2.9
208.08572	0.9
209.09636	1.2
211.07578	1.7
214.06427	1.1
214.12274	2.2
219.08038	4.2
220.08798	1.7
221.09610	3.2
223.07599	4.8
225.05457	2.7
226.06163	1.3
231.14902	13.2
235.07472	4.3
236.08264	2.0
236.10706	4.3
237.09012	4.7
241.04994	2.5
242.11682	2.2
243.06607	1.1
247.07553	3.7
247.14436	1.4
248.08250	1.5
249.09157	5.2
251.07013	3.2
252.07616	1.3
253.08656	2.4
254.09375	1.4
259.14395	49.3
263.06967	1.3
264.07767	3.1
265.08545	9.5
266.09372	7.4
267.06506	2.8
267.10117	5.5
268.07251	2.6
270.11267	1.5
275.13864	6.1
277.08484	1.5
281.08078	6.7
282.08658	9.5
282.11359	5.3
283.09470	4.4
294.08923	1.5
295.09622	3.1
295.16434	4.3
299.13913	2.1
312.10162	1.3
321.14429	5.1
329.18549	7.0
383.19431	2.1
395.19592	3.1
412.22171	1.8
414.27649	3.8
440.21689	11.4
442.27054	1.3
527.50708	0.9
623.25256	1.2
623.34564	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	0.6
57.76019	0.7
64.15222	0.6
65.03934	2.2
67.05484	0.9
68.91280	0.6
69.07075	0.6
78.59368	0.6
79.05492	7.9
80.05019	1.3
81.03396	0.7
81.07031	1.3
89.03905	1.6
89.65340	0.6
91.05444	4.3
92.04999	1.5
93.05796	1.5
93.07054	5.8
94.06566	8.1
95.04957	1.8
95.08595	1.0
96.08109	1.5
103.05450	5.3
105.04482	0.7
105.05743	2.1
106.06564	1.8
107.07355	0.8
108.04448	1.0
108.08120	14.5
109.08449	0.8
110.09657	2.2
111.61359	0.6
116.04966	7.5
117.05765	0.8
118.06503	3.8
119.07301	2.1
120.04458	8.4
120.08101	39.7
122.06028	13.0
122.09652	2.1
124.07578	1.8
132.08102	1.3
134.06026	3.4
134.09682	0.7
136.07571	28.5
136.08623	1.4
137.07941	0.7
138.05492	9.3
138.09099	3.6
138.97998	0.6
141.80058	0.6
144.04439	14.6
145.04877	0.8
146.05995	11.0
148.07561	100.0
149.07941	2.4
150.05495	3.1
150.09154	3.0
152.07047	1.8
158.06012	0.6
160.03935	1.4
160.07570	1.4
162.05453	5.3
163.03899	4.1
164.07082	2.5
166.04988	6.5
166.08636	8.4
168.08228	0.7
170.08347	0.7
172.03926	45.2
173.04301	1.6
174.05496	2.9
176.07100	0.9
180.06593	0.9
182.09637	1.2
183.09145	1.2
184.09935	1.3
186.05484	1.0
188.07086	1.4
190.04990	20.8
192.06586	1.4
194.08243	0.8
194.09822	0.8
195.09094	1.2
196.09874	1.5
197.10658	3.9
198.07787	1.1
198.11411	1.3
199.12270	0.7
204.06549	36.1
205.06744	1.1
207.09148	0.8
208.09662	3.3
209.10803	3.5
210.11392	1.5
211.08812	1.0
211.12317	2.7
212.09387	6.2
213.10246	2.7
216.06523	2.8
218.04584	1.2
219.09189	0.8
220.07616	0.7
221.10770	1.6
222.05905	0.7
222.07867	2.6
222.11533	2.4
223.08633	2.5
223.12257	2.3
224.09392	7.2
225.10204	9.7
226.10912	2.4
227.11725	5.8
229.13091	0.8
234.07532	2.6
235.08632	2.6
236.09256	4.8
237.10217	22.2
238.11002	4.9
239.08138	3.7
239.11731	5.6
240.08998	1.1
241.09714	4.8
241.13393	1.2
249.10262	3.4
250.07288	1.8
250.11032	2.2
251.08139	4.1
251.11784	11.2
252.08678	41.2
252.12646	1.7
253.09674	11.2
253.13338	2.1
254.10088	0.9
255.11267	11.5
260.05508	0.8
261.10220	0.8
263.11819	2.1
264.09030	2.4
265.09720	25.6
266.10321	3.6
267.08621	0.8
267.11288	4.4
268.08423	1.1
269.09277	1.0
269.12820	1.2
271.10779	3.2
273.12274	1.4
278.06570	12.3
278.09808	1.1
279.08160	0.9
279.11285	17.2
280.08453	2.5
280.11844	2.4
281.09247	2.1
281.12802	5.1
282.09891	1.1
283.10788	8.5
285.12460	3.0
291.11191	1.3
292.08154	2.2
293.09177	20.1
293.12540	1.3
294.09988	3.4
295.10696	2.1
296.11514	1.5
297.12244	7.9
299.10278	2.6
299.13629	0.9
300.10919	1.3
302.12991	0.9
307.10739	10.1
309.12274	4.4
311.10165	3.8
311.13864	1.2
312.10928	4.5
313.11823	6.0
315.13388	2.0
316.14514	1.6
323.10248	1.3
323.25739	0.7
325.11774	15.8
327.13391	2.8
328.13922	0.8
332.17419	0.7
333.14352	1.8
335.10214	10.3
339.09659	1.0
339.13336	11.8
340.10532	2.9
341.07193	0.8
341.11285	16.2
342.12000	0.9
353.11264	17.4
354.11578	1.1
357.14352	1.2
359.12048	3.6
360.17059	1.2
367.12964	1.8
373.13785	3.3
381.87830	0.7
385.13837	4.6
390.18033	1.5
400.16583	1.4
402.18195	0.6
411.06366	0.8
411.11819	14.1
412.11923	1.0
416.19482	1.3
418.17474	1.7
432.19315	3.2
442.17535	3.4
443.14584	4.8
444.19019	2.3
446.17453	0.8
460.18689	17.6
470.17084	2.7
478.19528	1.2
488.18140	62.6
489.18604	3.3
492.21347	1.2
506.19220	11.1
507.20206	3.0
520.20874	3.3
523.19330	1.0
524.20642	1.1
530.19153	2.2
532.16888	1.0
548.20081	2.6
550.17743	1.1
551.11261	1.0
551.18982	10.8
564.19763	7.4
574.18170	6.8
592.19232	53.1
593.19464	3.6
596.22205	1.2
606.20386	1.5
624.21753	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32617	0.7
55.01854	1.4
55.05509	0.8
65.03930	1.5
67.05489	1.6
69.07063	0.8
69.45623	3.5
69.57494	0.7
79.05484	7.3
80.05022	2.5
81.07038	2.4
85.02922	0.8
88.36990	0.7
89.03922	1.5
91.05437	5.2
92.04971	1.2
93.07045	7.4
94.06563	10.0
95.04958	2.1
95.08607	1.1
98.23521	0.8
103.05454	6.0
103.54623	0.8
105.05784	1.3
105.07058	1.6
106.06538	1.3
107.07322	1.3
107.08582	1.8
108.04450	1.3
108.08108	16.1
109.10145	1.6
110.06106	0.7
110.09660	2.3
116.04978	6.2
117.05770	0.9
118.06531	2.3
119.07328	1.5
120.04435	6.2
120.08094	34.9
121.10150	0.8
122.06017	14.7
122.09615	2.2
124.07592	1.8
132.08113	1.1
132.67085	0.9
134.06027	2.6
135.11697	1.2
136.07561	25.9
138.05479	9.1
138.09117	3.3
144.04422	10.8
145.02826	0.9
145.10133	1.3
146.05977	9.2
147.04462	0.7
147.11700	1.4
148.07553	100.0
149.07907	2.3
149.13274	1.1
150.05479	4.1
150.09099	2.4
152.07056	2.3
160.03932	1.9
160.07539	1.0
162.05479	5.6
163.03900	1.9
164.07059	3.2
166.04976	6.5
166.08621	7.4
167.05348	1.0
170.76830	0.8
172.03920	40.1
173.04327	1.2
174.05489	3.2
177.05516	2.3
180.06509	1.0
180.10199	0.9
182.09625	1.7
183.09224	1.0
184.09940	1.8
186.05515	1.2
188.07071	2.2
190.04985	23.1
194.08174	1.2
194.09721	1.3
195.09186	1.0
196.07243	0.9
196.09972	2.2
197.10730	1.9
198.11496	1.8
199.12268	1.1
204.06549	24.0
204.08545	1.3
206.08032	1.1
208.09755	2.5
209.10748	2.6
210.11461	1.5
211.08704	0.9
211.12314	3.1
212.09453	5.0
213.10185	2.2
216.06544	3.8
218.04611	1.4
220.07541	0.8
220.09912	0.8
221.10695	0.8
222.07809	1.8
222.11487	1.9
223.08736	2.6
223.12244	2.6
224.09326	5.5
225.10204	9.2
226.10980	1.8
227.11743	5.8
234.07573	2.7
235.08569	1.6
236.09320	4.0
237.10193	20.5
238.10878	3.4
239.07999	3.6
239.11746	6.8
240.87830	1.0
241.09692	3.2
246.84840	0.8
247.69043	0.8
249.10266	1.8
250.07236	1.6
250.10872	2.0
251.08095	3.3
251.11777	12.3
252.08661	40.7
252.12599	1.9
253.09717	10.5
253.13313	1.9
255.11232	10.2
263.11868	1.9
264.08923	3.2
265.09683	26.7
266.10272	5.3
267.11264	6.3
268.08450	1.2
269.12726	1.7
271.10739	4.9
271.14377	1.0
277.09818	1.0
278.06583	14.8
278.10339	1.3
279.11237	15.4
280.08362	2.5
280.11832	1.3
281.09317	2.5
281.12827	5.5
282.10709	1.1
283.10754	7.3
285.12363	2.4
286.16660	0.7
287.13269	0.8
289.09854	1.5
291.11270	1.6
292.08240	3.0
293.09183	23.0
294.09778	4.5
295.10660	2.9
296.11551	1.4
297.12308	8.1
298.24704	0.8
299.10217	3.8
299.13510	1.3
300.11163	1.5
305.24695	2.0
307.10727	11.0
309.12326	3.9
311.10226	4.7
311.13461	1.1
312.11005	5.7
313.11746	6.7
314.12738	1.0
315.13492	1.2
316.14368	2.3
323.10199	2.7
325.11804	15.0
327.13397	2.4
330.15933	1.9
331.16986	1.1
333.14493	1.8
335.10181	11.9
339.13412	5.5
340.10483	2.8
341.11298	16.0
353.11273	16.8
354.11868	0.9
359.12289	3.0
360.16769	1.0
367.12848	1.6
372.16904	1.1
373.13782	2.2
385.13895	4.9
392.25055	0.8
400.16617	1.4
411.11853	12.7
418.17432	2.2
429.12671	1.3
432.19193	2.4
442.17453	1.9
443.14395	2.6
444.19211	2.3
458.20520	0.8
460.18640	15.1
470.16940	2.8
488.18124	54.3
489.18390	3.5
506.19241	9.9
507.19791	1.9
512.17920	1.0
520.20544	2.1
524.20508	1.3
530.18848	2.2
538.21790	1.4
548.20221	3.8
550.18140	0.9
551.18860	10.1
564.19977	5.3
574.18152	6.8
592.19183	50.8
593.19147	1.6
596.21246	1.2
606.20599	1.1
624.21582	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01863	1.0
55.05499	1.4
57.03429	1.5
57.07073	37.2
64.35859	0.8
67.05493	2.1
69.03428	9.0
69.07069	4.3
71.04990	1.8
77.43527	0.7
79.05486	2.6
81.03412	15.5
81.07049	6.1
83.04972	1.1
83.08633	1.3
85.02900	13.3
85.06538	6.7
89.03914	4.6
91.05443	0.9
93.07038	4.3
95.08593	4.4
97.02882	12.3
99.04434	2.7
103.07584	4.3
104.92762	0.7
105.07023	2.4
107.04949	1.8
107.08569	3.0
109.02866	9.9
109.10142	5.9
111.04430	2.7
111.11732	1.4
112.70500	0.7
117.03343	4.2
119.08588	1.7
121.06473	2.5
121.10155	4.3
123.11703	1.8
127.03905	13.8
131.08521	0.8
133.10115	2.0
135.04398	10.2
135.11714	2.3
136.44246	0.8
136.49849	0.7
137.13097	0.8
139.03891	4.6
139.11163	1.3
140.66031	0.7
142.09013	0.8
142.62857	0.7
145.02823	8.9
145.04939	5.3
145.10112	1.0
148.07585	0.9
153.12704	1.2
161.13220	1.1
163.03893	100.0
164.04271	1.0
171.81770	0.8
177.05452	1.1
181.04926	5.1
181.12263	0.7
184.54538	0.8
201.05411	1.7
229.10696	20.2
247.11748	16.9
247.14127	1.4
271.05966	1.7
277.25497	0.8
287.23523	1.1
293.24667	2.0
297.12488	0.8
305.24670	4.5
309.11942	0.9
310.17319	0.9
311.25519	1.4
323.09189	0.9
323.25809	8.1
460.17624	2.1
488.17181	2.4
580.22540	1.3
624.25732	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	624.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
67.21958	0.8
69.03421	3.9
69.78398	2.8
70.06584	0.9
70.75694	0.9
79.05451	1.1
79.85880	0.7
81.03434	2.9
85.02919	5.4
87.00814	3.6
87.04486	0.9
94.04171	1.3
97.02886	9.1
99.04448	2.4
105.01858	1.2
106.93224	0.7
107.04958	1.2
108.31665	0.8
109.02876	1.4
109.06506	1.4
111.04464	1.0
111.36037	0.8
115.05450	5.9
117.07034	3.1
120.08097	1.6
121.02825	0.8
122.03670	3.7
125.05985	2.0
127.03914	8.0
128.06250	1.3
129.06996	5.1
131.04936	3.3
133.07654	1.0
137.05969	73.7
141.65140	0.7
143.04921	9.3
145.04944	4.3
145.06517	1.6
151.03882	1.4
151.07523	1.3
153.05469	2.2
157.06464	4.8
160.05188	18.6
161.05965	2.8
163.03880	1.9
163.07568	1.6
172.05182	2.2
173.05922	0.8
174.06743	2.1
175.07536	100.0
176.07805	2.0
177.05511	1.1
187.07530	31.4
188.08035	0.8
189.09096	7.3
205.08594	24.2
205.10445	1.5
206.08919	0.9
211.07484	1.5
212.74307	0.8
217.08604	2.6
219.08038	1.5
231.05020	3.2
231.08044	1.0
235.09615	23.1
239.07095	1.5
248.08244	2.3
249.05917	1.5
251.10645	1.2
255.06592	1.2
263.10571	1.5
266.08810	1.3
270.08792	1.8
271.09595	3.1
276.07980	1.3
279.10071	1.5
287.05667	1.6
291.10013	6.2
311.12692	3.1
323.12653	5.9
341.13828	7.0
623.39044	1.1
625.31268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	4.2
54.22138	2.9
55.14519	2.9
60.49404	2.9
69.03428	22.6
70.28474	3.1
73.02909	5.9
81.03408	14.1
85.02896	28.5
87.00822	8.2
95.04962	4.4
97.02883	8.1
99.04460	6.0
101.34492	3.0
105.01860	5.8
109.02884	11.6
127.03920	21.4
147.04329	3.1
151.03926	5.3
159.02875	5.1
167.05592	4.2
222.06631	3.2
225.04326	5.4
231.04907	5.3
235.07510	3.6
239.09428	4.1
247.07655	3.3
252.07683	3.7
265.08594	38.8
266.09326	3.1
277.08640	3.7
291.10178	10.7
294.08920	4.9
295.09613	8.4
295.13202	3.8
297.11108	2.9
309.11166	43.3
311.12363	3.0
323.12769	15.2
337.10556	8.1
341.13797	100.0
350.11298	4.6
353.13748	6.2
365.13852	9.2
379.15494	3.5
383.14847	35.1
431.14703	6.4
449.15942	12.8
535.15936	4.5
553.16949	6.6
589.18549	6.4
624.19757	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	624.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	4.2
54.22138	2.9
55.14519	2.9
60.49404	2.9
69.03428	22.6
70.28474	3.1
73.02909	5.9
81.03408	14.1
85.02896	28.5
87.00822	8.2
95.04962	4.4
97.02883	8.1
99.04460	6.0
101.34492	3.0
105.01860	5.8
109.02884	11.6
127.03920	21.4
147.04329	3.1
151.03926	5.3
159.02875	5.1
167.05592	4.2
222.06631	3.2
225.04326	5.4
231.04907	5.3
235.07510	3.6
239.09428	4.1
247.07655	3.3
252.07683	3.7
265.08594	38.8
266.09326	3.1
277.08640	3.7
291.10178	10.7
294.08920	4.9
295.09613	8.4
295.13202	3.8
297.11108	2.9
309.11166	43.3
311.12363	3.0
323.12769	15.2
337.10556	8.1
341.13797	100.0
350.11298	4.6
353.13748	6.2
365.13852	9.2
379.15494	3.5
383.14847	35.1
431.14703	6.4
449.15942	12.8
535.15936	4.5
553.16949	6.6
589.18549	6.4
624.19757	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	624.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.0
55.05500	4.3
58.99585	8.6
69.93453	1.8
71.73596	1.8
74.00665	5.7
75.01492	2.0
76.02221	37.0
76.03989	9.8
80.93902	1.9
81.07043	2.6
83.06075	2.2
84.04496	22.6
85.04022	22.6
85.92304	1.8
92.01687	10.1
95.08597	7.9
95.68513	1.7
97.10174	2.4
109.10127	3.6
112.03970	5.3
113.03481	7.4
116.01683	9.2
129.06589	3.5
130.04993	35.1
131.04509	18.7
139.03085	2.9
142.03239	3.3
143.05063	2.3
144.01173	6.0
149.03833	3.4
149.05888	2.6
160.00635	5.0
162.02188	20.5
163.03867	3.0
177.03278	100.0
179.04845	65.5
179.06383	4.0
181.06126	2.7
181.17497	2.2
185.03795	8.0
185.09654	5.6
187.69376	2.8
191.10762	2.6
203.10649	5.1
205.03226	2.3
205.30638	2.1
215.10660	4.6
221.06328	4.3
228.31178	2.0
231.04431	5.7
233.06015	5.4
235.08018	3.1
239.09344	3.3
240.42871	2.0
245.05977	2.4
268.69348	2.0
288.06564	8.2
299.20020	17.7
306.07513	20.9
308.09061	40.0
320.57587	2.1
331.17181	5.4
344.24606	2.0
357.18695	4.1
374.21579	2.7
400.10120	2.1
439.88925	2.7
477.23880	9.6
531.24896	4.5
606.28284	15.2
625.27679	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	624.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19413	1.6
55.05504	13.4
56.05034	2.2
57.03433	5.4
57.07066	1.9
67.05499	20.7
67.22516	1.7
69.07069	12.0
69.67027	5.9
71.07372	7.6
79.05494	6.1
81.07054	22.2
83.08613	5.6
86.09698	56.4
87.93426	1.6
91.05471	4.3
93.07037	7.0
95.08601	16.5
97.10167	4.0
104.10721	9.9
105.07053	3.5
107.08575	3.8
109.10170	6.8
119.08538	2.2
121.10108	3.1
123.11726	2.1
124.38998	1.7
133.10065	3.0
146.98166	70.3
161.13252	2.2
161.30455	1.4
164.04295	1.6
203.00812	11.5
206.05449	3.2
262.08112	13.1
284.13309	1.7
299.06958	2.2
311.37543	1.6
337.27405	15.3
359.25479	2.2
461.20221	5.8
483.24777	77.9
484.25137	3.5
539.22736	1.9
542.32104	100.0
543.32654	7.0
564.28705	2.0
624.30823	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	624.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.2
57.03431	3.6
62.84715	2.7
67.05502	8.4
69.07079	2.8
71.04984	6.1
74.09734	6.2
79.05479	10.3
81.07053	11.4
82.40361	2.8
83.04967	14.6
85.06567	5.3
86.09680	4.6
91.05448	33.4
93.07048	12.2
95.04967	23.1
95.08649	5.1
99.04436	7.2
103.05461	3.3
105.07036	35.7
107.08565	4.0
109.06490	5.3
115.05470	9.1
117.07012	57.1
119.08595	12.3
128.06227	11.0
129.07010	30.6
130.07779	9.6
131.08553	31.5
133.06496	3.6
133.10118	14.7
141.07027	4.5
142.07788	6.7
142.59654	3.3
143.08565	36.3
145.06549	5.9
145.10120	44.7
146.98175	5.3
147.08041	9.2
147.11661	6.9
154.07811	4.0
155.08565	19.2
156.09378	5.7
157.10143	19.4
158.07343	3.1
159.08035	3.7
159.11696	9.1
161.09595	7.1
165.07002	3.2
169.10146	8.6
170.10828	3.3
171.11670	16.2
172.64755	4.1
173.09612	100.0
173.13348	3.6
175.11224	8.2
183.11703	3.6
185.13266	25.7
189.12709	9.2
191.10681	4.5
195.11746	11.7
201.12706	4.0
203.14360	10.2
213.12717	36.8
231.13734	35.6
233.11786	9.2
249.14973	5.4
288.13593	3.3
483.24805	4.9
521.37793	3.6
542.31641	8.4
606.71722	3.2
646.95850	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	624.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60521	0.7
53.03953	1.0
55.01855	2.0
55.05500	7.2
57.03422	1.1
57.07082	1.0
57.56202	0.9
59.05012	1.1
63.45917	0.7
65.03922	2.3
66.03888	0.7
67.05493	10.6
69.03416	3.1
69.07060	2.5
71.04971	5.0
77.03906	1.1
79.05479	15.5
81.03391	1.0
81.07051	13.8
83.04972	12.4
85.06531	3.7
91.05468	49.6
93.07030	18.3
95.04955	22.6
95.08578	6.9
97.06524	4.8
99.04449	8.0
99.08054	1.2
103.05449	2.9
105.07018	64.6
106.07363	1.2
107.04971	3.7
107.08580	11.0
109.06497	8.0
111.08081	1.3
115.05429	10.3
115.94048	0.8
116.06219	3.6
117.07005	65.1
119.04929	3.5
119.08566	24.7
121.06493	6.1
121.10145	4.8
123.08045	2.9
128.06201	19.6
129.06989	41.7
130.07782	12.1
131.04883	1.0
131.08553	48.6
133.06470	8.2
133.10109	23.1
135.08035	5.0
135.11655	0.9
137.05992	1.0
137.09615	1.4
141.06952	6.3
141.96388	0.8
142.07758	15.3
143.08545	47.9
144.05658	1.0
144.09248	2.4
145.06496	5.1
145.10106	79.2
146.10431	1.8
146.98193	1.1
147.08008	10.8
147.11678	6.3
149.09607	7.5
151.07491	1.1
153.06992	3.5
154.07784	3.2
155.06052	2.0
155.08531	23.4
156.09320	7.7
157.06522	1.4
157.10104	29.5
158.07253	3.5
159.08012	4.7
159.11668	14.2
161.09604	16.5
161.13229	4.6
163.11162	3.3
165.06932	4.7
167.08537	1.8
168.09320	1.1
169.10065	6.1
170.10921	4.3
171.08040	6.4
171.11678	13.6
172.08835	1.5
173.09598	100.0
173.13254	3.5
174.10089	1.9
175.07564	1.2
175.11169	11.8
175.14780	4.3
177.09181	1.0
179.10686	1.7
180.09322	3.1
183.08025	1.3
183.11693	1.9
185.09660	1.9
185.13226	29.8
187.11179	5.9
189.09103	1.2
189.12700	6.1
191.10623	19.1
195.11681	9.4
198.10384	2.2
199.09679	1.7
201.12703	3.2
203.14291	19.4
206.05571	1.0
213.12712	30.0
231.13771	53.9
232.14122	1.3
233.11649	6.2
246.53490	0.9
249.14839	6.8
262.14587	0.9
273.14838	1.3
291.15863	2.4
309.16824	1.8
540.30695	0.9
556.79657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01861	6.8
55.05500	16.1
57.03429	6.1
57.07068	9.0
59.04987	3.6
61.02918	3.8
61.96274	1.8
65.03921	2.4
67.05503	21.7
69.03423	24.6
69.07062	66.2
71.04985	8.2
73.02914	4.3
74.20908	2.3
79.05485	14.2
81.03413	17.8
81.07050	72.1
83.05010	4.6
83.08604	16.4
85.02902	41.6
85.06538	5.7
87.00824	17.7
91.05444	12.4
93.07037	56.7
95.04971	12.6
95.08604	50.9
97.02916	13.0
97.06516	9.7
97.10159	6.2
99.04440	7.0
99.08086	5.5
105.01860	9.2
105.07021	20.2
107.04911	2.5
107.08595	36.6
107.09258	4.6
109.02866	12.5
109.06527	9.5
109.10144	51.7
111.08093	8.7
111.11732	12.6
115.07578	2.2
117.07001	3.7
119.08574	18.7
121.06511	5.3
121.10133	54.7
123.08057	5.9
123.11695	28.4
125.09638	5.8
127.03897	27.7
127.11185	7.9
131.08553	6.6
133.10130	19.6
135.08080	4.2
135.11678	32.9
137.09607	6.2
137.13225	8.7
139.11176	23.9
143.08609	4.1
145.04970	5.9
145.10127	7.5
147.11652	10.3
149.09601	8.0
149.13249	9.0
151.11195	8.2
151.14873	2.3
153.12732	24.9
155.10660	4.7
157.10143	9.1
159.02846	5.0
159.11693	10.6
161.09581	4.8
161.13222	4.5
163.03903	6.6
163.11182	8.6
163.14803	2.6
165.12749	3.2
167.10684	12.5
167.14285	4.3
171.13866	3.2
173.13249	4.5
175.11189	4.2
175.14774	4.7
177.16383	2.4
181.12209	7.0
187.14746	2.5
193.15906	2.5
203.17929	4.1
205.15683	2.4
213.16490	2.1
239.09531	2.0
243.21016	2.9
259.24231	3.6
261.22110	6.0
269.22620	5.0
277.25223	7.1
279.23068	15.8
287.05453	3.7
287.23630	19.2
293.24774	18.5
305.24734	54.1
306.25198	2.5
311.25717	11.2
323.25769	100.0
341.26913	9.5
359.28024	3.8
405.95932	2.6
448.79544	2.1
581.29236	2.8
625.28839	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	624.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75986	2.7
53.03963	4.8
55.01875	8.8
55.05512	22.7
57.03428	5.7
57.07072	11.8
59.05022	3.8
61.02953	4.0
67.05489	17.6
68.25607	2.7
69.03430	26.9
69.06704	5.0
69.07064	64.1
69.07890	15.8
71.04993	8.2
71.08611	4.5
77.95875	2.7
79.05467	17.3
81.03415	15.5
81.07060	57.3
83.04974	9.5
83.08613	16.9
85.02898	39.3
85.06545	8.3
87.00819	18.3
89.03870	3.3
91.05478	9.7
93.07048	45.9
95.04960	11.7
95.08601	53.8
97.02886	16.1
97.06548	10.8
97.10168	6.3
99.04442	5.3
99.53586	2.8
100.11297	2.9
105.01870	5.3
105.07007	14.2
106.83141	3.0
107.04946	3.5
107.08578	36.9
109.02860	12.5
109.06516	15.3
109.10165	41.0
111.08050	8.8
111.11724	9.1
117.01870	3.2
117.03380	8.3
119.08591	14.7
121.06512	7.9
121.10141	47.2
123.08068	7.5
123.11668	19.4
127.03889	16.9
127.11189	8.5
131.08572	3.8
133.10106	13.2
135.11690	25.0
137.09624	7.9
137.13248	10.4
139.11159	16.2
145.02867	25.2
145.04993	3.1
145.10081	6.3
147.11696	5.8
148.07549	4.7
149.09596	6.6
149.13295	10.5
151.11153	5.6
153.12764	19.0
158.54074	3.2
159.11705	7.3
163.03903	16.1
163.11195	7.1
163.14897	3.5
165.12697	4.2
167.10678	13.5
173.13400	3.8
175.11320	3.2
175.14807	5.1
177.05455	36.9
179.10689	3.7
181.12273	5.1
187.14806	4.6
189.16379	3.6
225.04216	3.7
231.05125	5.3
239.09583	5.0
243.21288	5.0
249.14799	3.4
261.22266	8.1
269.22644	4.0
277.25293	7.0
279.23233	19.8
287.05463	5.6
287.23727	12.4
293.24734	14.1
305.24695	46.7
311.25769	18.4
323.25787	100.0
324.26437	3.3
341.26624	13.8
359.27698	3.6
428.78183	3.1
430.17780	6.1
463.22537	3.1
507.21957	5.0
520.30872	3.2
625.27753	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	625.1549
Annotation	kaempferol 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
55.01868	0.2
65.03946	0.2
66.77453	0.1
68.40201	0.2
68.99783	0.3
69.03394	0.2
69.07029	0.1
70.01436	0.4
70.06578	0.2
71.04971	0.1
81.03413	0.2
85.02899	0.6
87.00832	0.3
89.03896	0.2
92.83488	0.1
97.02863	0.3
100.11199	0.1
107.04912	0.2
109.02879	0.5
115.05399	0.2
117.03372	0.2
117.07024	0.2
119.04904	0.2
120.08096	0.2
121.02844	0.5
123.04421	0.2
127.03902	0.3
129.07014	0.3
132.74585	0.1
133.06441	0.2
135.04385	0.4
137.02342	2.6
137.03381	0.3
137.05934	0.9
138.06247	0.2
139.03946	0.2
141.06926	0.2
143.04904	0.4
145.02841	0.5
145.04881	0.1
145.06390	0.2
147.04399	0.3
149.02315	0.6
149.06090	0.2
150.03156	0.2
151.07520	0.3
155.26367	0.1
157.06453	0.5
161.05975	0.6
163.03900	1.8
163.07582	0.2
165.01880	0.2
166.77240	0.1
166.89778	0.1
171.04424	0.2
175.03815	0.2
175.07486	0.4
177.01903	0.1
177.05403	0.4
185.05971	0.6
189.05414	0.5
193.05013	0.2
197.06143	0.2
199.03966	0.2
203.07031	0.2
210.14922	0.3
213.05424	2.4
216.04153	0.4
225.04042	0.2
229.04892	0.2
231.06570	0.9
241.04868	1.0
259.05981	0.4
269.04398	0.5
287.05463	100.0
288.05716	2.0
301.06924	0.2
311.12787	0.2
317.06406	0.4
331.15402	0.5
343.15823	0.2
625.15173	1.6
625.23999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1743
Annotation	Rhamnocitrin 3-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
56.82560	1.1
60.28947	1.3
65.31533	1.1
69.17580	7.4
87.52286	1.2
105.49564	1.3
124.03075	1.3
124.97000	1.4
137.38524	1.3
167.20918	1.4
185.04173	5.7
201.05373	1.6
202.06195	2.6
205.04698	17.6
215.19969	1.5
221.04266	3.4
229.04897	1.4
230.05707	2.4
239.09529	1.5
257.04456	1.6
258.05289	4.8
265.06854	2.0
286.04694	24.3
287.05521	6.4
301.07040	100.0
302.07367	5.3
383.09494	31.3
383.14313	2.5
463.12439	14.9
464.12347	2.0
527.96838	1.3
535.84369	1.4
625.19623	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.21
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18881	0.8
70.24053	2.0
70.94921	0.7
83.49628	0.7
92.93579	0.9
94.04229	0.8
98.22800	1.2
102.26418	0.8
140.60381	0.9
151.07538	1.4
163.03889	1.2
165.54997	0.8
166.90529	0.7
175.57109	0.8
178.90070	0.8
204.21359	0.8
395.12988	3.1
607.26685	1.2
625.20856	100.0
626.20856	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	625.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33844	0.8
55.13047	0.7
67.05506	1.1
69.08104	4.5
91.05471	1.3
93.07041	0.9
94.06573	3.0
95.04940	0.9
106.06539	4.8
107.07333	1.6
108.08087	1.3
118.06540	2.1
120.08102	1.5
122.06042	3.2
132.08060	0.8
136.07570	11.4
146.06062	0.9
148.07553	12.4
149.08302	0.9
150.19214	0.8
152.07045	4.5
163.03914	1.1
164.06989	1.4
166.08611	35.1
171.64326	0.8
174.09105	1.4
184.07446	0.8
184.86481	0.8
197.10794	1.0
205.39137	0.9
206.08269	1.6
207.09103	1.1
209.10738	1.8
211.08551	1.0
212.09314	1.7
219.09181	1.0
220.09892	1.9
221.10692	5.4
225.10104	5.6
226.11053	1.2
228.41565	0.8
229.13313	1.0
234.07840	1.5
235.08653	1.9
236.09358	1.6
237.10196	1.9
238.10861	1.8
239.11794	1.1
242.85521	0.8
246.07556	1.5
248.09367	1.7
249.10152	12.0
250.11035	6.3
251.11693	1.7
253.09659	7.1
255.11096	1.0
256.60922	0.7
262.11014	1.2
263.08328	1.2
263.11694	1.8
264.08658	1.7
265.09769	2.2
268.09781	0.8
271.11447	1.3
271.14398	7.4
276.08716	2.3
277.09692	6.8
278.10565	2.1
279.11279	7.9
283.10883	1.1
284.11511	4.1
287.05511	1.3
289.15433	6.0
293.09122	2.3
294.10007	1.1
295.10583	1.2
297.12424	2.7
299.14075	0.9
300.14929	1.1
305.09167	29.7
306.09506	1.2
307.10583	4.6
309.12369	5.7
310.13321	1.2
312.14917	3.1
313.12485	1.3
313.15857	1.2
314.12866	2.4
314.16483	2.1
315.13684	2.6
321.12152	1.1
322.09274	2.0
322.13013	0.9
323.10233	14.5
323.13824	0.9
324.14969	2.1
326.12775	3.0
326.16525	2.7
327.13574	5.5
328.14383	17.4
328.17892	0.8
329.15015	3.7
337.11783	32.7
338.12518	2.3
338.16394	1.9
339.13513	4.5
340.14307	7.1
341.15115	5.6
342.12265	3.8
342.15979	19.1
343.12970	1.4
343.16742	11.1
346.12900	1.3
352.14575	2.3
353.15244	1.6
354.12198	2.6
354.15979	6.2
355.13022	1.6
355.16782	2.4
356.13882	10.7
356.17685	1.4
357.14606	2.6
366.16135	1.4
367.12897	2.1
367.16666	2.4
368.13766	5.7
368.17761	1.1
369.14581	3.7
370.15390	21.6
370.19638	1.2
370.22757	1.0
371.16162	10.8
377.22934	42.5
378.23190	0.9
381.14816	1.0
382.11313	1.3
382.15448	3.4
383.16193	1.8
384.16959	3.4
385.13864	1.5
386.14883	2.8
386.19141	1.5
387.15955	1.9
388.16415	1.0
396.13232	2.4
396.17542	1.8
397.13962	7.1
398.15054	1.7
399.15845	1.0
400.16486	4.1
401.13492	2.3
401.17844	1.4
402.18069	15.3
403.18640	2.1
407.16504	1.1
410.15033	4.2
411.15652	2.7
412.16483	3.5
414.14322	8.7
414.18237	7.7
415.14874	2.4
416.15994	8.0
424.16321	3.9
426.18240	4.6
427.15018	2.1
428.15964	12.1
429.16794	50.2
430.17569	100.0
431.18121	5.4
441.16974	1.3
442.17554	35.0
443.17831	2.7
452.16049	2.2
453.16675	1.5
454.17654	11.5
455.14667	2.6
456.15430	16.5
457.16116	8.1
458.17032	9.8
459.17700	1.3
470.17059	59.8
471.17548	6.7
472.18716	6.8
488.17969	2.4
502.19662	44.7
503.20377	9.8
504.21240	1.8
547.23267	1.0
551.22552	1.4
575.22943	12.0
581.29425	6.4
593.23859	11.8
625.28094	18.0
626.27936	0.9
627.54358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2823
Annotation	Khelmarin C
Peak:m/z	Relative Intensity
71.42483	2.5
103.10580	2.1
113.53894	2.1
121.06502	14.3
201.05493	8.1
215.67789	2.7
240.35069	2.4
265.08551	2.9
282.09015	3.4
285.16940	2.4
313.07043	3.1
323.09216	5.6
359.21765	4.1
377.23154	4.5
460.17438	5.2
488.17096	9.0
519.29132	3.1
534.23505	2.4
563.28442	11.1
581.29230	16.2
607.27094	25.6
625.28210	100.0
626.28772	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3578
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01871	3.7
55.05508	14.3
57.03429	2.8
57.07044	1.6
65.03938	1.5
67.05161	2.6
67.05499	36.5
68.05814	1.4
69.07062	11.0
69.69627	5.5
71.04985	2.5
72.21626	1.5
75.78736	1.6
79.05487	25.0
81.03400	1.8
81.07054	31.8
83.04974	3.0
83.08605	4.9
85.06535	3.0
90.41498	1.5
91.05469	37.6
93.07036	25.8
95.04964	8.1
95.08597	22.6
97.06512	4.4
97.10146	4.9
99.15846	1.5
105.04543	2.1
105.07024	39.7
107.04945	3.9
107.08578	14.6
109.06544	2.2
109.10140	10.4
111.08125	1.8
111.39320	1.5
115.05412	2.1
117.07015	16.8
119.08569	20.4
121.06526	3.9
121.10135	10.0
121.36359	1.6
123.08080	2.0
123.11685	2.3
128.06233	3.7
129.06990	14.4
131.08549	30.4
133.06494	2.8
133.10112	14.2
135.08025	3.8
135.11703	5.3
141.06989	6.1
142.07758	2.6
143.08551	15.5
145.06433	3.8
145.10109	19.4
147.08057	3.6
147.11694	5.3
149.09572	2.5
150.97058	1.9
155.08545	7.6
156.09433	2.0
157.10092	11.5
158.14803	1.6
159.11679	10.6
161.09587	4.1
161.13246	2.2
167.08531	3.4
169.10130	7.0
171.11652	8.0
173.13248	3.2
181.10127	1.7
183.11658	9.0
185.13268	6.4
185.93445	1.6
187.11237	1.5
187.14787	2.3
195.11639	2.3
197.13272	4.9
199.14871	2.5
209.13354	3.6
211.14775	2.8
213.16359	2.1
221.13203	1.6
223.14865	2.7
225.16179	1.6
227.18073	1.8
231.13860	2.2
237.16335	1.9
256.92462	1.9
257.18991	1.5
258.75900	1.6
259.16934	1.5
259.20444	1.6
263.17886	1.7
270.36319	1.7
273.18289	2.7
275.20163	2.9
287.05460	1.5
335.23474	2.2
343.26126	3.0
353.24643	11.1
371.25806	15.1
389.26843	20.6
427.28687	2.3
445.29440	100.0
446.29889	6.3
463.30780	32.9
513.36060	1.8
516.52496	1.8
525.28503	4.4
543.29688	3.8
561.31042	11.4
602.31201	1.6
603.32025	6.2
607.43060	6.2
625.31775	7.1
625.44348	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	625.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.0
56.27751	2.8
57.03415	4.1
62.55751	2.7
67.05505	26.7
69.07059	10.1
69.37782	14.9
72.23371	2.5
79.05512	16.6
79.05885	3.1
81.07053	19.3
83.08594	4.1
91.05477	21.6
93.07040	18.9
95.04982	6.2
95.08591	14.5
97.06527	2.9
98.23500	5.3
105.07033	28.9
107.04957	2.9
107.08572	11.8
109.10126	5.8
109.74632	2.6
117.06992	12.0
119.08570	15.4
121.10139	9.3
129.07007	11.8
131.08574	20.1
131.35808	2.7
133.10136	11.9
135.08105	3.0
141.06960	5.0
143.08559	7.7
145.10101	11.5
155.08513	4.1
157.10106	3.5
159.11684	5.3
169.10152	5.2
171.11676	6.8
185.13222	3.8
197.13182	3.4
281.78763	3.0
343.26068	4.8
353.24582	8.0
371.25760	12.5
389.26767	14.7
445.29486	100.0
463.30331	22.4
609.46484	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35643	4.1
53.03941	4.7
55.01873	44.4
55.05509	22.2
57.03431	10.5
57.07061	4.7
65.03927	4.9
67.05507	64.3
69.07068	71.5
71.04971	5.6
71.43143	4.4
76.99833	3.9
78.66858	3.9
79.05489	51.5
81.03408	6.4
81.07050	70.3
82.48821	3.8
83.04974	7.4
83.08609	16.3
91.05473	68.3
93.07048	46.3
95.04970	13.9
95.08600	46.9
97.06520	50.2
97.10143	4.9
99.08103	7.0
103.05463	4.5
105.07025	100.0
107.04948	17.0
107.08587	26.9
109.10142	28.2
111.08100	4.7
117.07004	31.8
119.08571	53.6
121.10133	19.0
123.08031	7.8
125.09621	8.0
128.06241	5.8
129.06973	20.9
131.08553	45.6
133.10124	46.6
135.11673	16.1
141.06966	10.2
142.07660	6.1
143.08540	24.5
145.10109	43.1
147.11688	34.2
149.09612	13.9
149.13231	8.4
155.08572	16.7
157.10143	26.1
159.11679	31.6
161.13261	23.9
163.11223	7.2
167.08585	4.1
169.10088	20.3
171.10281	8.6
171.11705	29.2
172.11873	4.5
173.13261	16.8
175.14763	9.0
177.12732	5.3
179.14308	11.3
180.80145	5.0
181.10149	11.7
183.11687	17.0
185.13258	18.3
187.14883	10.6
195.11717	13.3
197.13239	9.8
199.14786	11.7
201.16348	7.0
209.13278	10.2
211.14832	7.8
213.16324	7.6
214.31488	4.9
218.31322	4.9
221.13271	6.7
241.19554	20.0
257.19055	7.0
259.20630	23.4
273.18399	6.2
275.20084	63.2
279.67770	5.0
293.21149	8.8
315.19125	4.5
315.22989	5.7
323.82837	4.2
333.24136	14.7
349.23776	35.5
419.33054	5.0
421.30988	5.5
435.32516	10.2
437.34116	19.4
501.36105	5.2
509.36423	8.0
511.37674	11.6
513.35565	11.3
515.38751	6.2
529.38849	9.8
533.39648	11.3
551.40808	6.8
607.43585	84.7
608.43341	5.0
625.44550	95.4
626.44928	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	626.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
52.89575	0.3
53.03943	0.5
55.01877	0.4
57.03428	0.8
61.02921	0.4
61.10678	0.3
69.03427	0.8
69.07474	0.6
69.07880	1.6
69.89463	0.3
73.02900	0.3
79.05495	2.2
81.03403	0.7
81.07034	0.5
85.02902	1.7
89.03915	0.3
91.05470	1.2
95.04963	1.1
95.08601	0.4
95.27098	0.3
97.02879	1.1
99.04436	1.8
103.03951	1.5
106.06546	100.0
107.06859	1.0
109.02872	1.2
109.06508	0.5
117.05478	2.2
118.06515	0.8
119.04913	0.4
121.02808	0.4
123.04414	2.2
124.07581	1.9
127.03904	2.4
128.07098	0.3
135.04416	0.7
137.05968	5.8
145.02873	0.4
145.04951	1.1
147.04372	1.8
148.07549	1.0
151.21436	0.3
153.05476	1.0
161.06013	0.5
163.03859	2.1
167.07156	0.6
175.03856	0.7
177.05505	0.8
181.08597	0.5
192.08073	3.1
197.08067	0.9
201.07549	0.7
207.06506	1.6
210.09200	0.7
210.97766	0.3
219.08600	0.8
220.07527	3.0
226.08565	0.4
238.08591	10.2
250.10793	0.5
256.09647	1.6
270.11270	2.4
271.50177	0.3
279.16916	0.3
288.05698	0.5
360.15613	0.6
361.16321	1.6
430.17068	0.7
435.19916	1.8
497.01816	0.3
608.18018	0.4
626.23157	0.5
627.30133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43588	0.3
53.03940	0.4
53.60393	0.3
55.01867	0.7
57.03419	0.5
61.02920	0.4
65.03915	0.4
67.05455	0.3
69.03422	2.5
70.71473	0.4
71.04993	0.4
73.02895	0.3
79.05466	0.4
81.03416	2.3
85.02898	5.4
87.00819	2.5
91.05452	2.0
94.04184	0.6
95.04959	0.9
95.26877	0.4
97.02887	2.2
99.04453	0.9
103.05460	8.0
105.01864	1.6
105.07021	0.6
107.04984	0.7
107.08598	0.4
109.02885	1.6
109.06475	0.4
115.03895	0.4
115.05470	0.8
117.07014	2.5
119.04926	1.4
121.06454	1.0
121.10075	0.4
122.03639	1.7
123.08049	0.5
127.03889	2.7
128.06204	0.7
129.06987	0.8
131.04910	16.0
133.06483	0.9
134.07272	0.4
135.08051	0.9
136.05185	0.4
137.05965	25.6
137.21942	0.4
138.06316	0.7
143.08519	1.0
145.04990	0.9
145.06471	0.8
147.07985	0.4
149.05930	0.7
151.03914	0.4
151.07521	7.2
159.02870	1.0
161.05968	2.5
162.06784	2.1
163.07524	38.7
164.07863	0.9
165.09099	0.5
171.08040	0.9
175.07536	4.1
177.09088	100.0
178.09430	2.3
181.04958	0.4
181.06442	0.3
187.07571	0.5
189.09076	1.3
193.10147	0.6
194.07301	0.3
195.08101	1.1
195.10133	2.7
203.10629	0.9
207.10127	0.4
219.10034	0.9
221.09517	0.9
221.11700	17.7
222.12088	0.4
223.07515	0.6
227.10587	1.5
233.09671	0.5
249.11287	0.4
250.41492	0.4
251.10637	0.4
253.12331	0.6
255.10175	1.1
265.08575	1.0
269.07971	0.5
281.11844	0.7
285.11093	1.0
287.12732	1.9
293.11548	0.4
297.11078	0.6
299.12741	1.9
311.12689	2.0
313.14331	1.6
323.12665	0.4
325.14084	0.4
327.15958	0.8
331.15359	7.4
332.15543	0.5
343.15356	3.5
355.15051	0.5
367.15045	0.5
397.16278	0.5
421.16342	0.9
543.18579	0.5
639.59949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01854	2.3
55.05505	11.4
57.03435	2.1
57.07069	1.7
59.04981	1.2
65.03928	2.0
67.05497	9.1
69.03419	5.0
69.07079	3.4
69.07828	8.4
71.04985	4.8
79.05481	13.7
81.07050	12.2
83.04977	27.2
85.06522	3.6
87.04461	1.6
91.05463	34.4
93.07032	22.7
94.06512	1.1
95.04958	53.4
95.08585	7.3
97.06512	5.0
99.04443	2.8
101.06006	3.8
103.05489	2.8
105.04504	1.3
105.07017	65.7
106.07350	1.6
107.04950	4.0
107.08574	16.4
109.06492	9.3
109.10179	3.2
111.08029	1.5
115.05446	7.2
116.06209	1.8
117.07011	44.3
119.04914	2.5
119.08571	25.9
121.06499	10.8
121.10159	9.6
123.08052	4.7
123.59173	1.5
125.05960	3.1
125.09594	1.4
128.06210	13.5
129.06996	29.0
130.07765	12.8
131.08553	45.2
133.06462	18.9
133.10112	21.1
133.11035	2.2
135.08023	7.6
135.11678	4.3
137.05945	2.1
137.09592	2.7
141.06992	3.6
142.07765	15.7
143.07437	1.6
143.08551	31.9
143.09630	2.2
144.09320	2.7
145.06483	5.0
145.10107	100.0
147.08037	11.9
147.11656	9.5
149.09601	9.0
151.07545	4.6
151.11224	1.7
153.07011	1.7
155.05980	1.5
155.08546	13.4
156.09315	7.2
157.10107	22.9
158.07277	3.6
159.07970	2.3
159.11693	10.6
161.09581	16.3
161.13248	7.3
163.11064	7.0
165.06975	3.2
169.10100	5.6
170.10979	2.9
171.08055	1.9
171.11649	11.8
173.09599	70.9
173.13144	2.4
175.11192	11.5
175.14778	7.9
179.10654	1.7
180.09300	2.0
183.10211	8.2
183.11601	2.3
185.09543	1.3
185.13251	24.0
187.11205	5.1
187.90964	1.3
189.12721	13.1
191.10654	28.0
195.11644	7.0
198.10405	2.3
201.11118	2.0
203.14272	26.3
203.16031	2.3
205.12268	1.7
207.10088	1.7
213.12730	21.5
221.15289	2.1
231.13771	61.4
233.11748	4.6
249.14842	13.6
291.15915	1.6
294.71689	1.3
309.16879	2.0
473.92517	1.3
579.03149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68161	1.8
55.05505	7.0
57.03460	2.5
64.64320	1.7
65.03938	2.9
65.40963	2.0
66.64265	1.5
67.05499	6.5
67.26869	1.7
71.04994	4.6
74.39103	1.7
77.10293	2.0
79.05500	9.6
80.70152	1.9
81.07047	8.8
83.04977	18.9
85.06541	2.7
91.05473	35.5
91.56820	1.7
93.07041	10.4
95.04957	21.4
95.08601	5.0
97.06523	2.6
101.06026	6.0
103.05451	4.3
105.07026	48.2
106.07361	2.2
107.04990	3.3
107.08601	5.2
109.06519	6.3
115.05466	8.5
116.06276	1.9
117.06181	2.9
117.07020	55.0
117.07812	4.2
118.07381	3.0
119.04945	4.5
119.08561	15.5
121.06475	6.8
121.10153	2.5
128.06244	15.9
129.06996	40.3
130.07784	8.4
131.08560	35.5
133.06476	6.8
133.10130	13.6
135.08067	4.5
141.06982	7.2
142.07759	14.6
143.08553	40.8
144.05682	2.3
144.08998	2.2
145.06468	5.4
145.10123	59.9
146.10454	2.5
147.07994	10.4
147.11650	3.6
149.09642	3.6
153.06984	2.4
154.07753	3.0
155.08531	24.7
156.09291	6.1
157.10098	23.9
158.07271	4.2
158.10478	2.6
159.07999	3.7
159.11684	10.1
161.09596	12.3
161.13258	2.7
165.06992	4.2
167.08517	2.2
169.10132	5.9
170.10925	2.7
171.08058	4.3
171.11691	14.1
171.16489	1.7
173.09622	100.0
174.09996	3.8
175.11159	10.5
180.09354	4.7
183.10138	2.7
185.09650	2.6
185.13228	22.4
189.12791	5.4
191.10678	7.5
195.11697	12.4
203.14284	15.1
206.14462	2.3
213.12720	35.6
214.12993	2.0
231.13792	52.0
232.14096	4.4
233.11697	7.3
246.49397	2.0
247.69160	1.9
249.14879	4.4
269.82358	2.1
284.45456	2.1
501.35831	2.2
505.82211	2.1
511.12570	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01858	1.2
55.05506	36.3
57.03431	2.1
61.43654	0.9
65.03906	1.4
67.05511	5.4
69.03402	2.2
69.07053	1.3
69.12694	2.8
69.13106	3.5
71.04984	2.0
77.03886	1.4
79.05483	10.4
81.07051	10.3
83.04972	81.7
85.06514	2.5
91.05468	30.3
93.07035	13.4
95.04960	19.6
95.08622	5.2
97.06506	3.6
98.22697	2.3
101.06017	1.9
103.05457	2.9
105.07018	45.1
107.04945	1.7
107.08590	6.3
109.06505	6.2
115.05433	11.7
116.06209	2.4
117.06164	2.3
117.07006	44.8
119.04945	2.6
119.08572	15.1
121.06480	4.0
121.10119	2.2
123.08032	1.7
128.06203	19.8
129.06992	39.2
130.07794	9.6
131.08554	44.1
133.06471	6.2
133.10109	13.6
133.91330	1.0
135.08032	4.2
141.06987	5.0
142.07774	10.0
143.07016	3.5
143.08549	36.7
145.06464	6.1
145.10107	59.0
146.07188	1.0
147.08018	8.3
147.11670	3.6
149.09583	7.3
151.07484	1.5
152.06293	1.7
153.06958	4.8
154.07703	2.5
155.06012	2.5
155.08534	26.9
156.09348	8.5
157.10109	19.3
158.07256	3.3
159.08017	3.7
159.11681	9.3
159.26698	1.0
161.09581	9.8
161.13235	4.3
163.11163	2.5
165.06978	3.2
167.08531	2.4
169.10062	6.3
170.10864	2.3
171.08022	5.8
171.11656	13.4
172.08849	1.1
173.09607	100.0
174.09967	2.5
175.11160	9.0
175.14816	3.2
180.09282	3.1
183.10109	2.8
183.11641	1.7
184.08955	1.6
185.09692	2.2
185.13243	23.0
185.14748	2.0
187.11214	3.2
189.12683	5.0
191.10631	8.7
195.11694	9.5
198.10359	3.5
201.12721	2.5
201.21487	1.2
203.14304	12.6
213.12724	35.2
231.13783	51.0
249.14828	4.7
273.14877	5.7
313.17947	1.0
331.18936	4.3
349.19983	3.2
404.97400	1.1
409.34604	1.2
546.21490	1.1
626.32019	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02368	0.4
79.05486	1.8
89.03910	10.8
89.78735	0.3
89.82275	0.3
91.05482	0.4
95.04958	0.7
107.04933	3.3
114.55760	0.3
115.05455	0.3
117.03371	11.9
123.04427	2.6
133.02834	0.8
135.04404	23.3
137.02347	1.0
137.03407	0.4
145.02835	13.7
147.04366	0.7
160.05173	0.3
161.05977	0.4
163.03888	100.0
164.04207	1.4
165.07004	0.6
171.34119	0.3
193.06398	0.4
205.04828	0.3
221.05974	0.9
223.07542	0.4
238.10538	0.3
239.06969	0.7
247.07571	0.5
249.05421	0.4
251.06956	0.4
255.06415	0.3
267.06491	1.1
268.07205	0.5
285.07516	2.4
293.08069	1.7
295.06036	0.7
322.44434	0.3
337.07138	0.6
379.24435	0.7
447.10825	2.8
492.93411	0.3
536.73535	0.3
583.30377	0.7
627.29449	2.2
648.68573	0.3
659.09821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1547
Annotation	Quercetin 3-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
50.68648	0.3
52.23907	0.3
53.03928	0.8
55.01859	1.1
57.03426	1.6
61.02925	2.3
62.30032	0.3
63.93256	0.3
68.99780	0.6
69.03424	4.4
69.07904	0.3
69.33424	1.7
70.06569	0.3
71.04974	0.3
73.02902	0.6
81.03415	2.4
83.01342	0.4
85.02897	21.0
91.03940	1.2
97.02882	6.4
99.04433	1.0
109.02854	2.3
110.07094	0.3
111.00777	1.0
121.02859	0.9
121.06504	0.4
127.03896	4.0
137.02332	2.9
137.69290	0.3
145.04950	6.3
149.02347	0.5
153.01794	3.4
155.85934	0.3
163.03888	1.3
163.05984	0.9
165.01799	1.7
183.02895	0.7
201.05412	1.4
219.02995	0.3
229.04976	3.0
247.06078	0.6
257.04382	2.2
274.04843	0.7
285.03934	1.2
303.04950	100.0
304.05344	2.2
345.05966	0.7
369.05817	0.4
440.05917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80394	2.1
60.37371	2.1
65.80706	2.1
69.01524	2.4
70.04753	4.6
124.02439	2.1
214.05856	2.2
288.62836	2.3
317.88251	2.2
333.08810	100.0
333.12827	4.9
333.17221	4.6
334.09018	2.8
351.18137	5.6
504.80557	2.7
614.70868	2.7
627.31653	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	628.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	11.0
58.14190	1.9
59.73250	1.9
60.19145	1.8
66.18340	1.7
68.94730	2.0
70.50227	4.8
81.07036	1.9
81.32716	2.2
81.47030	2.0
86.09706	10.3
98.97591	11.8
104.29342	1.9
105.07025	2.1
116.98592	10.0
121.10148	1.9
125.00032	5.9
134.99654	5.8
145.10094	1.9
179.14297	2.6
184.07321	20.4
251.31349	1.9
274.24084	1.8
286.07910	2.3
301.81879	2.0
327.14938	3.6
425.07291	1.9
445.29370	5.8
447.25537	4.3
479.28412	8.1
481.26367	2.3
485.26385	2.6
491.27594	2.9
497.29300	8.9
509.29034	2.6
513.28583	6.6
515.30389	21.7
527.30188	8.8
531.29974	17.6
533.31537	30.2
534.31744	2.9
544.36169	2.3
545.31299	15.2
554.83673	2.1
569.29028	4.0
587.32434	100.0
588.32513	7.9
605.33533	95.1
606.33856	5.8
628.35608	19.8
629.35370	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	629.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89538	0.8
55.48101	0.8
69.20940	5.2
70.45770	0.9
81.07058	1.2
96.42943	1.0
98.23440	1.8
100.10406	1.0
110.13787	0.9
117.03361	1.3
131.10139	0.9
135.04459	1.1
135.08110	1.3
145.02910	1.3
163.03928	3.7
167.86853	0.8
177.05524	1.2
200.46181	0.9
231.13617	4.8
257.96649	0.9
377.08566	5.4
379.10052	1.1
529.15204	1.0
548.45563	1.0
567.21954	56.0
568.22308	4.1
577.74078	0.9
585.23041	100.0
586.23431	7.0
629.22021	50.0
630.22186	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	629.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.7
67.05488	0.9
70.06544	0.5
70.74302	0.6
79.05467	0.9
83.04965	1.3
91.05467	3.0
93.07025	1.1
95.04955	2.1
95.08605	0.6
105.07008	2.0
107.08530	1.1
109.58531	0.5
117.06987	1.9
119.08561	0.7
121.02607	0.7
121.06511	0.9
128.06183	1.1
129.06935	2.2
130.07361	0.6
131.08521	2.3
133.10136	1.1
141.06958	0.7
143.08646	1.2
145.10101	2.6
146.10422	0.8
149.09628	0.5
155.08511	0.9
156.88164	0.7
157.10132	1.1
158.17395	0.7
169.10098	0.7
173.09576	3.6
174.09984	1.5
213.12804	0.9
221.07846	7.1
231.13855	0.8
271.12985	3.8
319.99396	0.6
321.13043	100.0
322.13400	3.0
331.15121	26.6
332.15482	0.9
337.17435	5.7
615.99524	0.6
629.29077	12.7
630.29828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2968
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
50.31405	0.2
51.02398	0.2
58.43574	0.2
65.03926	0.2
66.90968	0.2
68.85803	0.2
69.03416	0.6
69.07060	1.1
69.83026	0.5
69.83427	0.4
70.02970	0.4
74.02431	0.5
77.03917	0.4
82.82686	0.2
83.04975	0.7
86.09701	48.8
87.10059	0.3
91.05472	10.7
93.07030	1.0
95.04979	0.6
98.22835	0.3
103.05458	5.2
104.04977	0.3
105.03394	3.3
105.04501	0.3
105.07009	0.4
106.06557	0.4
107.04951	0.7
112.07580	0.5
115.05447	0.7
116.05000	1.2
117.05750	1.0
117.07023	0.5
118.06535	27.7
119.04961	1.6
119.07333	7.0
120.08095	100.0
121.06494	0.5
121.08431	1.7
123.04419	0.7
129.07013	0.3
130.06516	2.0
131.04916	2.0
132.05685	0.4
132.08081	0.9
134.06116	0.3
134.08383	0.4
136.07568	6.9
141.10223	0.5
144.04462	0.2
144.08055	0.8
145.10095	0.5
146.05994	61.6
147.04393	0.4
147.06332	1.3
148.07535	0.4
162.05527	2.5
162.09128	21.7
163.09503	0.5
165.05450	1.5
165.06877	0.5
167.08522	2.5
169.10109	0.4
170.05994	0.4
172.03954	0.4
174.05521	0.5
174.12758	2.5
178.07744	0.3
179.08524	0.5
182.08101	1.7
186.12775	2.4
188.14343	2.2
190.08614	14.7
191.08714	0.5
193.10155	0.4
195.08038	1.4
197.09621	0.3
203.15421	3.8
204.13841	0.4
206.09572	1.1
207.07925	0.3
208.11205	0.5
209.09555	0.4
214.12178	0.5
219.08046	0.8
220.11253	0.3
221.09572	1.2
223.07518	5.2
228.10181	0.4
231.14911	12.1
232.13206	0.3
232.15190	0.5
236.10683	6.8
237.09030	0.3
237.55585	0.2
246.09055	0.3
247.07658	0.3
247.14355	1.2
248.10658	1.8
249.15973	0.5
253.13264	0.4
254.11720	0.3
259.14398	41.1
260.14679	1.5
264.10159	0.7
265.08569	4.3
265.13324	0.7
270.11267	1.6
275.13873	6.0
276.10153	0.9
282.11240	7.4
293.12820	1.9
295.16501	5.7
299.13889	2.7
303.13385	0.3
309.12650	0.3
309.15866	1.1
321.14395	3.9
327.13303	1.1
335.13852	10.7
336.14230	0.3
349.19070	0.3
353.99921	0.2
366.86612	0.2
377.18576	0.3
383.19586	3.1
395.19659	3.1
396.19894	0.3
399.81427	0.2
412.22302	1.6
418.41449	0.2
420.22812	4.6
422.20425	0.2
423.18991	0.6
440.21786	8.1
441.21811	0.5
448.22305	1.9
548.10437	0.2
595.87762	0.3
611.27661	0.7
629.29700	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09074	0.4
62.15419	0.4
71.43181	0.4
86.09718	0.7
95.12314	0.3
120.08112	0.7
146.05989	2.1
163.03925	0.6
190.05049	0.5
208.75743	0.4
227.11829	0.4
259.14413	0.4
287.14026	0.5
299.13986	1.6
363.25250	0.5
381.26065	5.9
390.18213	0.6
423.27261	0.6
432.19009	0.8
525.30280	0.8
543.31207	5.6
544.31445	0.4
567.31036	2.7
585.32428	35.8
586.32959	2.1
611.30829	1.0
629.31366	100.0
630.31665	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	629.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50580	0.4
55.01875	0.8
58.06591	2.3
58.83180	0.4
59.07365	1.2
60.08160	5.6
67.05505	0.9
69.03426	0.5
79.05487	0.8
81.07059	0.6
84.08101	0.4
89.03925	0.7
91.05471	4.0
93.07054	0.8
95.04970	1.7
99.04491	0.5
99.59322	0.4
101.93171	0.4
103.05459	5.6
105.07001	2.8
107.04953	1.5
110.03651	0.4
111.04415	0.5
115.05454	0.8
119.04961	0.8
119.07353	0.8
119.08559	0.4
120.08096	14.3
121.02815	0.4
123.04430	1.7
124.07594	0.6
126.01047	0.7
130.06541	1.3
131.04919	9.2
133.06514	0.7
134.09787	0.5
135.04430	1.1
136.07559	0.9
137.05971	1.7
143.04852	0.5
145.02893	0.7
145.06436	0.8
146.06015	0.7
147.04408	1.2
147.08063	0.5
148.07616	1.3
148.11235	1.0
151.03937	2.4
153.05490	1.1
159.04483	0.7
161.06012	1.2
163.03879	3.2
163.07544	1.1
165.05452	0.9
167.06996	7.2
175.07513	1.0
177.05524	0.6
177.09087	2.1
178.02600	0.4
179.07022	1.5
181.04947	4.3
189.05511	1.1
189.09102	1.1
190.12308	1.1
193.04810	0.5
193.08421	0.4
200.10686	1.0
202.12305	1.8
203.07072	1.5
207.06487	4.6
207.15010	0.9
214.12354	0.5
219.06471	2.6
219.10092	0.8
221.08102	3.2
222.12764	1.2
225.05522	0.5
225.07590	0.9
231.10211	0.8
233.08122	0.6
237.07640	0.6
239.95529	0.4
245.06192	0.5
248.12906	0.8
251.09125	0.9
279.08664	0.7
289.05096	0.6
289.10678	0.7
317.10175	0.7
323.09320	0.5
343.11902	0.6
363.25089	1.5
381.26065	3.9
403.13858	1.3
412.79846	0.5
415.13660	0.8
423.27319	0.5
513.29877	0.7
525.30200	1.1
543.31464	6.9
555.31262	1.5
567.30792	0.5
570.25836	4.9
585.32416	25.2
586.32861	0.9
601.33893	4.8
611.20367	0.5
611.30145	0.7
629.31567	100.0
630.32080	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	629.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.3
55.05514	0.6
58.06298	0.4
58.06594	14.1
59.07372	4.9
60.08156	29.2
65.03924	0.6
67.05494	1.0
69.75713	0.5
69.76067	0.7
70.06563	0.5
72.08147	0.7
77.03880	0.6
78.93779	0.2
79.05486	1.3
79.24599	0.2
80.05027	0.3
84.08138	2.2
86.09685	0.4
91.05470	15.2
92.05794	0.3
93.07036	2.7
94.06543	0.6
95.04958	2.8
96.08137	0.7
103.05453	17.6
104.06264	2.0
105.04476	0.8
105.07016	10.1
105.16635	0.3
106.06545	2.6
106.07246	0.4
107.04941	1.8
110.06040	1.5
112.07568	0.7
115.05455	0.7
117.05768	0.4
117.07023	2.0
118.06540	2.1
119.04927	1.7
119.06503	0.4
119.07309	5.0
120.08088	76.4
121.06489	0.7
121.08431	1.5
122.13119	0.2
123.04375	1.8
124.07571	2.7
128.04948	0.5
129.06992	1.1
130.06506	8.1
131.04910	25.7
131.07269	1.1
132.05261	0.6
132.08080	2.7
133.06445	0.7
134.06006	0.8
134.09642	1.8
135.06793	1.1
136.07570	4.0
142.07671	0.3
143.08559	0.6
144.08031	1.3
145.05344	0.6
145.06476	0.9
145.10110	0.6
146.05988	4.8
147.04350	0.8
147.09134	0.8
148.07553	8.7
148.11179	5.5
157.10085	0.5
158.05998	1.3
159.09218	0.3
160.07611	1.5
161.09599	0.7
162.05542	0.6
165.05466	1.8
169.10092	0.3
171.07990	0.3
172.07568	0.8
172.11180	0.4
173.09641	2.7
174.12834	0.5
175.08679	2.0
175.11226	0.3
177.09081	9.5
182.08101	0.7
184.11212	0.4
185.09567	0.9
186.05415	0.3
186.09131	0.4
186.12788	1.4
187.08734	0.4
187.11165	0.3
187.13477	0.3
188.07059	0.8
189.09035	3.8
190.12233	9.1
193.10112	0.6
200.10670	7.6
200.12459	0.5
201.06592	1.0
201.09027	0.4
202.12242	7.5
203.08238	0.8
204.09435	0.3
205.10147	0.9
207.14880	7.1
207.16702	0.5
208.15155	0.3
212.10735	0.9
213.09233	0.5
214.12241	4.3
215.08223	0.9
215.13115	0.6
216.10225	1.1
216.13768	0.5
217.13379	0.3
219.10143	6.2
219.14851	0.7
222.12744	7.0
222.14761	0.5
228.10179	1.1
229.13390	0.7
230.11743	0.3
231.10138	3.3
231.14917	0.4
233.09850	0.4
236.12840	1.6
242.11790	0.7
245.12831	0.6
246.11343	1.2
248.12776	3.4
250.12329	0.9
257.12836	0.8
260.12747	0.4
261.39764	0.3
263.13989	0.3
267.14966	0.7
267.70212	0.3
273.19571	0.4
274.10727	0.9
279.14587	0.2
290.11575	0.3
304.17047	0.5
307.14444	1.2
321.19598	0.6
329.14755	0.3
332.16516	0.3
333.19714	0.6
347.17493	0.4
349.18979	1.5
350.17584	0.6
353.18546	0.3
367.20126	1.7
375.17163	0.8
377.18536	0.3
383.19452	0.4
392.19650	1.0
393.18265	0.3
395.19696	1.2
423.18979	1.1
514.26764	0.4
524.25629	0.3
542.26227	1.3
570.25879	25.6
571.26196	1.8
601.33734	29.5
602.33936	2.1
629.33228	100.0
630.33502	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	630.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
55.05508	2.9
66.21166	1.4
67.05499	5.1
69.03444	2.2
69.07058	3.8
70.02222	3.8
71.04993	3.3
74.52322	1.5
79.05485	6.8
81.07053	15.9
83.04973	4.8
83.08608	2.9
85.02918	3.5
85.06574	1.9
91.05476	5.6
93.07047	18.1
95.04971	6.3
95.08588	18.7
97.02905	2.5
97.06519	9.3
98.23434	1.7
99.04452	10.5
105.07028	11.4
107.04953	2.1
107.08575	7.7
109.06496	12.5
109.10140	1.8
111.08060	8.7
113.05988	2.7
119.08556	7.3
121.06493	36.5
121.07327	2.7
121.10159	2.3
123.04403	1.6
123.08108	2.2
123.11723	2.9
125.05954	8.8
127.07558	4.7
133.06500	2.2
133.10152	8.6
135.04411	3.1
135.08054	5.3
139.07523	6.1
143.07028	4.3
143.08575	2.5
145.10072	2.8
147.08026	2.9
147.11659	16.5
151.11198	4.8
157.08565	5.5
157.10100	5.3
159.06534	5.3
161.13284	4.2
163.03835	1.9
165.12767	6.1
166.07799	2.2
169.12234	7.0
171.11662	8.0
175.11154	13.5
177.05478	5.1
181.04948	1.9
181.10011	2.4
189.12724	10.5
193.12239	14.4
199.11171	12.4
207.13853	6.6
209.08160	3.3
211.13246	12.9
217.10071	2.0
217.12199	41.1
229.14253	7.5
235.13260	53.6
236.13499	2.0
253.14326	100.0
254.14566	2.2
271.15381	25.8
289.16431	38.1
297.26663	1.6
310.26089	1.4
331.51019	1.4
568.71887	1.8
647.88696	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
57.07072	32.9
67.05509	1.8
69.07066	1.9
69.27956	3.4
69.99254	0.8
71.08623	22.9
73.06546	8.3
83.08613	2.4
85.10178	18.8
87.04466	7.3
89.06025	100.0
89.28166	0.7
90.06393	1.2
95.08595	1.3
97.10162	3.7
99.11732	4.4
107.07081	3.6
107.08618	0.9
109.10151	0.8
113.13256	1.7
117.09118	6.7
130.08601	2.0
131.07040	3.1
133.08597	51.9
135.10202	1.2
155.17955	5.8
161.11777	1.7
165.83383	0.9
175.09540	1.0
177.11212	23.3
199.20544	3.6
213.74985	1.0
221.13719	4.0
224.35962	0.8
239.14789	0.9
243.23131	8.5
262.04797	0.9
265.16302	1.7
283.17545	1.9
287.25934	4.1
309.18936	1.6
327.20142	1.1
388.78867	0.8
437.34891	1.1
459.27750	2.2
489.35745	1.3
613.44995	4.2
630.47534	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	631.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26654	0.7
69.15305	2.1
69.15706	3.6
95.01087	2.2
107.46799	0.8
109.02862	1.6
109.41114	0.9
121.02598	3.1
127.00017	1.1
127.03886	1.3
137.05972	4.5
138.02887	2.8
155.03104	0.9
159.04153	8.5
160.04744	0.8
161.05998	2.4
167.03215	3.1
169.04613	1.4
181.04907	2.0
201.03621	1.0
201.09065	1.7
204.07579	2.2
213.07228	1.1
233.07863	2.6
240.93155	0.9
243.04723	4.3
247.09326	0.9
258.16638	0.8
271.04379	1.5
287.03799	2.5
297.11337	1.1
325.14288	2.4
327.12369	1.1
337.12482	2.3
343.15424	1.6
349.12579	5.2
351.10492	1.7
365.12210	2.6
366.12787	5.6
379.13696	2.3
383.14651	3.4
393.11496	3.2
407.13110	2.7
408.13898	11.8
409.14868	2.5
411.13980	1.3
437.10577	1.1
451.17844	1.3
452.12878	9.5
527.19073	1.9
545.11871	0.8
545.19751	11.6
546.20245	1.4
555.70422	1.1
587.20941	91.6
588.21136	5.1
631.19867	100.0
632.20160	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	631.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39477	1.3
59.92963	1.3
62.96940	1.4
69.07066	3.1
71.42354	1.6
94.06561	4.1
122.06029	13.6
139.02705	1.6
140.07043	24.8
146.06007	10.3
162.05441	1.9
172.03941	12.9
174.05496	13.4
176.07077	5.5
190.05014	3.2
191.05748	1.7
192.06564	1.7
197.10710	1.9
204.06540	23.0
206.08130	9.0
211.08617	2.3
225.10269	4.6
227.11720	11.4
237.10315	2.2
239.11745	3.0
251.11771	3.0
253.09760	2.2
261.12253	2.0
265.09543	2.0
267.11209	3.1
269.12866	9.8
271.10724	4.6
283.10718	10.3
284.11523	7.5
285.12320	5.7
287.13901	24.8
295.10788	2.1
297.12399	3.7
301.12103	2.8
313.11804	27.1
314.12750	2.1
315.13571	3.0
316.14456	5.5
316.70300	1.5
326.16696	1.7
328.14615	3.1
329.11786	2.8
330.12546	3.7
330.16028	6.4
331.12820	8.4
331.16751	7.7
332.17664	1.9
342.12115	4.0
343.13443	3.2
344.17578	6.8
345.14520	10.7
356.13907	4.4
357.14505	4.2
358.15622	8.3
370.11261	1.8
370.15387	2.5
372.17038	4.3
382.11694	3.6
383.12616	2.9
384.13406	9.4
385.14120	4.1
390.18152	4.5
398.14920	13.9
399.15750	27.4
400.16522	30.9
402.14145	1.8
412.16492	3.1
414.18121	5.5
415.18414	1.8
417.16885	7.2
418.17432	8.7
431.18326	2.2
440.15793	5.3
441.16251	1.8
458.17053	33.2
459.17786	22.2
460.18439	3.8
490.19839	5.7
491.20377	2.6
555.25732	2.7
581.23590	6.0
587.32562	4.4
599.24957	100.0
600.25421	7.2
631.31689	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	631.309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75337	1.2
60.05036	1.5
67.05490	2.7
69.03378	1.4
71.42349	1.5
74.61106	1.1
75.43432	1.3
79.05494	2.4
79.78710	1.2
91.05492	3.8
93.07042	2.2
95.04976	3.4
95.08565	1.8
105.07018	5.2
107.08575	2.3
109.10126	1.6
117.06982	2.6
119.08571	3.7
123.08049	2.9
131.08575	3.5
133.10120	2.3
143.08611	1.5
145.10117	3.1
147.11656	1.7
157.10117	2.9
159.11729	2.0
165.09065	2.2
173.09663	2.2
221.15381	3.9
223.09421	5.8
257.63162	1.5
271.13010	4.8
323.14618	100.0
324.14920	2.6
331.15137	42.0
399.24796	1.4
412.76401	1.4
631.30658	18.3
631.42316	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	631.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.0
67.05497	0.8
73.18951	0.6
79.05469	1.2
81.07039	1.1
83.04977	1.2
85.06503	0.7
91.05449	1.9
93.07047	1.9
95.04923	1.2
102.57296	0.7
105.06999	3.7
109.06521	0.9
109.70014	0.7
115.05538	0.6
117.06988	1.9
119.08545	1.1
121.10150	1.0
123.04191	1.5
128.06177	0.9
129.06961	0.9
131.08543	1.7
133.06487	0.7
133.10114	1.6
143.08551	1.5
145.10115	3.3
155.08521	0.8
156.05110	0.6
161.09483	0.8
163.50273	0.6
169.10092	0.7
173.09583	1.1
183.06265	10.2
223.09389	2.7
229.23927	0.7
263.21118	0.7
271.13016	3.9
281.09952	1.2
283.11490	100.0
284.11755	2.2
284.54996	0.7
313.14111	1.2
324.02039	0.8
371.18268	20.7
372.18399	1.2
431.20361	12.3
432.20120	0.7
455.32880	0.7
631.20599	0.7
631.30853	11.0
631.40375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
57.03443	0.8
59.05013	0.7
63.64499	0.6
65.90949	0.5
67.05506	3.4
69.03419	0.9
69.07064	0.8
71.04971	0.7
79.05489	5.1
81.03406	1.2
81.07053	3.9
83.01125	0.7
83.04987	2.0
83.08604	1.4
83.77276	0.6
85.06568	1.5
91.05482	8.8
93.07047	6.6
93.23833	0.6
95.04952	6.7
95.08606	2.5
97.06528	1.3
98.22701	1.3
105.07024	7.5
107.04972	0.6
107.08588	3.2
109.06506	3.9
109.10175	0.8
111.08089	0.6
115.05471	1.3
117.07018	4.1
119.08582	4.0
121.06522	1.2
121.10113	3.1
123.08072	1.3
123.11642	0.6
125.09589	0.7
128.06265	1.4
129.06972	3.0
130.07800	1.4
131.08566	4.2
133.06561	0.9
133.10126	2.6
135.08034	0.7
141.05229	2.8
141.06953	1.2
142.07751	1.6
143.08542	3.8
144.09320	0.8
145.06439	1.0
145.10130	4.7
147.08032	1.3
147.11685	1.2
149.09642	2.5
151.07607	0.8
153.06947	1.0
155.08559	1.6
156.09300	0.9
157.10120	2.6
159.11707	1.3
161.09578	1.7
165.09125	1.7
169.10158	1.1
171.08073	1.3
171.11720	1.3
173.09619	5.1
175.11198	0.8
179.14351	0.7
181.10133	0.9
185.11812	0.9
185.13318	1.5
193.04898	0.6
195.11778	0.7
197.13300	0.8
203.14310	0.9
213.12709	1.0
221.15375	3.9
223.09418	10.7
233.15302	0.6
237.74706	0.8
253.11925	3.7
287.16522	0.6
313.14072	23.4
314.14206	0.6
315.87219	0.6
321.13120	1.1
322.13403	1.3
323.14606	11.3
327.15756	1.2
331.15152	1.7
371.18155	0.7
431.20374	100.0
432.20624	3.0
434.29446	0.7
438.27145	0.6
539.37183	1.7
599.41882	0.9
631.30963	3.3
631.43420	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	631.3299
Annotation	Isogambogenic acid
Peak:m/z	Relative Intensity
53.91806	0.5
54.95389	0.4
60.81358	0.6
80.21332	0.4
85.43738	0.5
108.18916	0.5
122.09697	0.8
130.06534	0.6
163.03978	0.6
197.10750	0.5
202.65944	0.5
213.28218	0.5
245.06323	0.8
265.09708	0.9
278.73926	0.5
292.35223	0.6
325.11917	0.5
339.13312	4.0
365.26486	1.1
367.13010	1.1
382.26590	0.6
383.27499	4.0
385.37915	0.5
399.15610	2.0
400.16177	0.6
476.21902	2.1
527.31824	1.5
545.32861	4.5
559.46350	0.6
569.32825	3.1
587.33917	25.8
588.34631	2.3
599.24310	0.9
613.31818	2.1
631.32910	100.0
632.33203	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	631.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44781	0.5
69.17136	2.4
70.62554	0.4
76.04807	0.4
79.26993	0.4
109.02911	0.5
163.04028	0.4
181.04988	0.5
181.94183	0.4
224.09462	0.4
227.13115	0.4
317.45215	0.5
383.27661	5.0
383.32388	0.7
411.26987	1.0
425.28519	0.8
527.31848	1.7
539.31696	1.1
545.32953	9.7
546.33649	0.6
569.24445	0.6
569.32678	2.4
587.33923	30.0
588.34375	1.5
599.24030	0.5
613.31964	2.8
631.23853	7.0
631.32904	100.0
632.23962	0.9
632.33276	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	631.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17766	0.5
60.15962	0.4
81.07041	0.6
83.04974	0.9
91.05482	0.8
107.23892	0.4
119.08539	0.5
152.03371	0.5
159.11714	0.6
161.13219	0.4
169.99098	0.5
182.08087	0.4
245.49637	0.4
309.33667	0.4
365.26443	0.5
383.27631	4.9
383.32135	0.5
411.27408	0.6
412.47067	0.5
425.28882	0.5
527.31915	1.6
545.32861	11.4
546.33264	0.8
569.32764	1.6
587.33960	27.3
588.34125	1.9
613.32025	1.9
631.32959	100.0
632.33209	7.7
653.74475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.05505	20.9
57.03429	2.7
57.07060	4.0
58.06601	2.0
61.02919	5.8
65.03931	3.4
67.05502	21.2
69.03428	14.4
69.07069	17.6
69.42272	6.5
71.04982	2.6
72.01105	1.5
77.03870	1.7
79.05049	2.1
79.05486	23.1
81.03418	5.0
81.07051	48.4
83.04978	26.5
83.08614	13.8
85.02892	24.6
91.05475	32.9
93.07039	43.4
95.04956	16.4
95.08598	58.2
97.02885	10.2
97.06515	4.7
97.10174	3.0
98.22644	2.2
99.08080	12.0
103.05474	2.9
105.07024	65.7
107.08590	69.6
109.02899	3.1
109.06522	11.0
109.10149	38.5
111.08062	6.9
115.05466	2.4
117.06997	9.6
117.67786	2.0
119.04925	6.3
119.08573	100.0
120.08102	3.1
120.08918	1.6
121.06525	2.7
121.10146	56.2
123.08066	7.6
123.11700	18.8
125.05984	1.7
125.09601	8.5
127.03899	5.1
128.06171	2.6
129.07001	8.8
130.07780	2.4
131.07654	3.3
131.08560	47.2
133.10123	57.7
135.08017	2.2
135.11656	24.3
137.09583	6.1
137.13234	2.9
139.11121	2.4
141.06960	2.9
142.07796	4.4
143.08565	31.6
144.09285	2.6
145.05023	2.2
145.10114	79.2
146.10509	2.1
147.08022	2.5
147.11671	32.4
149.08379	3.5
149.09608	5.2
149.13240	12.8
151.07516	3.8
151.11159	12.2
155.08487	9.7
156.09331	7.4
157.10117	40.8
158.10858	5.5
159.08095	2.2
159.10359	3.1
159.11685	63.0
160.12192	2.1
161.09636	2.3
161.13217	19.9
163.07536	4.6
163.11194	3.2
163.14807	11.6
164.10706	54.6
165.12747	5.6
168.09383	2.1
168.90216	1.7
169.10097	14.0
170.10873	6.1
171.11668	31.2
172.12436	4.7
173.09526	2.3
173.13248	40.2
175.14809	30.1
175.72369	1.7
177.09085	2.2
177.16428	8.2
181.10138	4.3
182.10860	2.6
183.11665	16.5
184.12419	4.8
184.97569	1.7
185.13246	58.9
187.14792	72.1
189.16380	16.4
191.14278	11.4
191.17946	3.3
193.15845	5.0
195.11673	7.0
196.12488	2.3
197.13237	23.1
198.13800	1.8
199.14806	61.8
199.16684	3.3
200.15231	1.9
201.12622	2.0
201.16359	56.9
203.14297	39.0
203.17926	4.7
205.15862	16.4
207.06456	2.1
209.13216	9.5
211.14792	22.3
213.16360	57.9
214.16991	4.0
215.14354	4.4
215.17932	13.8
217.15866	13.5
219.13805	3.1
219.17433	18.7
221.13245	2.2
223.14824	5.6
225.16394	5.6
227.14151	1.8
227.17908	8.5
229.15834	5.2
231.13869	2.9
231.17407	18.8
233.15327	11.3
235.14882	3.3
237.16417	4.6
239.17973	10.2
241.15874	2.3
241.19489	14.1
243.17456	2.9
243.20959	2.5
244.09561	2.2
245.15327	16.0
247.17059	3.7
249.14839	23.9
251.17920	3.8
253.19429	11.8
255.21115	6.6
257.18958	2.4
259.16946	17.0
262.10837	2.9
263.11020	3.4
263.17792	2.4
265.19565	6.1
267.21118	18.2
269.22607	1.9
271.20538	2.7
277.17996	7.8
279.20926	2.8
281.22549	3.4
283.20584	4.2
287.20163	2.4
299.19992	7.5
299.23392	2.7
313.21628	1.9
317.22394	2.6
323.23721	1.7
325.21844	1.9
331.24112	2.2
335.23761	2.7
337.25156	2.2
339.22925	2.2
349.25189	2.5
351.26917	2.7
365.27966	2.1
369.24231	2.1
387.30402	8.6
395.25873	1.9
405.31506	87.9
406.31738	4.0
407.33017	26.6
408.33109	2.1
415.29865	3.3
423.32492	22.5
433.30902	24.0
451.32056	36.1
469.33124	18.9
492.86060	1.8
540.16473	2.3
587.34583	2.3
613.31073	3.4
631.32373	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	632.8949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95187	1.1
69.51115	5.2
94.93014	6.6
112.89579	8.1
114.89349	3.4
136.94012	100.0
138.93828	4.4
162.81271	1.2
174.53688	1.2
180.92982	1.8
236.91551	1.6
238.91214	1.3
243.63519	1.2
253.07875	1.3
278.95209	27.8
279.95398	1.4
294.92923	98.0
295.93469	1.3
312.94174	1.3
376.93076	2.2
392.90585	37.6
434.98520	2.7
436.94073	23.1
437.02512	2.8
452.91605	11.5
482.91858	1.4
534.91760	2.2
619.13312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01295	2.0
70.01637	5.2
75.15796	1.8
81.07023	2.6
85.02921	2.0
86.98953	2.2
105.70721	2.2
114.20299	2.2
153.20674	1.9
163.03941	2.4
178.94807	1.8
220.03365	2.6
231.13545	5.4
381.07947	5.4
383.09421	2.3
452.67529	2.4
571.21429	58.7
572.22083	2.8
589.22510	100.0
590.22748	7.4
633.21283	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	1.7
69.14069	2.9
69.14479	1.8
78.83163	0.8
81.03360	0.7
88.43596	0.6
93.01744	0.8
93.07009	1.1
94.06549	1.7
102.36320	0.6
105.07040	0.9
105.30155	0.8
106.06523	1.0
107.07309	0.7
108.08094	1.1
115.97605	0.7
120.08091	1.1
122.06017	4.6
134.05954	1.4
136.07573	11.3
140.07051	6.3
146.06006	6.3
148.07581	5.5
150.09116	1.5
152.07033	2.2
163.03986	0.7
164.07072	10.5
166.08675	2.5
172.03925	2.0
174.05472	2.9
176.07054	18.0
177.40364	0.7
190.05077	1.3
192.06480	1.8
204.06596	1.6
210.11316	1.1
211.12320	1.5
218.08342	0.8
221.10794	1.0
222.11516	0.8
223.12213	2.1
225.10239	3.2
227.11703	1.5
235.12248	2.2
236.12996	0.9
237.10106	5.5
237.13895	1.0
238.10997	11.6
239.11803	10.0
249.10185	2.4
250.10867	1.7
251.11749	7.2
252.12282	1.0
253.13313	2.6
261.10059	1.3
263.11731	4.3
264.09030	1.2
264.12390	1.0
265.09760	3.3
265.13321	11.2
266.10510	1.7
266.13864	0.8
267.11206	4.0
268.12094	0.8
269.12799	1.5
271.14392	5.6
275.11624	1.1
277.09811	1.7
277.13297	3.3
278.10547	3.9
279.11264	100.0
280.11948	8.3
281.12839	2.6
283.10779	2.5
283.14145	1.1
285.12204	1.2
287.13821	4.7
291.11298	2.4
292.12036	0.9
293.12790	4.9
294.13516	1.1
295.10806	1.3
295.14337	1.9
296.11829	2.1
297.12317	47.5
298.13004	6.9
299.13770	1.1
309.12289	15.0
310.13077	9.0
311.13702	4.1
312.09793	0.7
313.11694	3.9
315.13278	0.8
319.10757	1.8
321.12292	9.0
322.12964	1.2
323.10312	1.5
324.10962	1.8
325.11905	4.7
331.12976	2.2
337.07578	1.1
337.11786	25.6
338.12506	10.5
339.13373	80.3
340.13843	5.8
360.16971	1.3
369.14444	1.8
371.16016	14.5
372.16418	0.8
384.79980	0.7
392.19818	1.2
400.16507	1.9
401.17245	1.2
418.17285	1.2
419.18317	0.9
420.19177	1.3
438.19907	4.4
442.17581	3.7
450.19833	1.2
460.18613	38.6
461.18903	4.2
464.17786	1.1
465.18854	1.1
466.19531	1.2
478.19684	26.4
479.20401	4.4
480.21289	6.8
510.22476	3.9
583.25677	2.0
589.32764	1.7
601.26514	79.8
602.26849	6.5
633.32178	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	633.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50900	0.5
56.02074	0.6
56.22119	0.5
63.24175	0.6
67.05511	0.7
69.03422	0.6
69.75221	1.2
69.75609	1.5
79.08389	0.6
79.09412	0.7
81.03439	0.7
100.25990	0.7
105.76427	0.6
131.04919	0.9
136.07527	2.5
140.07021	1.7
163.03925	1.4
164.07146	2.9
176.07037	1.8
233.15291	0.6
237.10130	1.2
238.11028	1.6
239.11684	1.5
251.11690	0.9
263.11758	2.8
265.09427	0.9
265.13202	2.7
271.14273	1.3
279.11279	12.1
280.11859	0.9
281.12817	0.8
297.12305	6.3
298.12845	1.4
309.12296	6.2
310.12915	2.1
311.13657	1.1
313.11826	0.9
321.12158	1.3
337.11798	4.8
338.12570	2.0
339.13345	9.4
340.13983	0.7
367.24292	0.9
369.14386	5.8
370.14978	1.3
371.12006	0.8
371.16080	8.2
379.10034	0.7
380.81689	0.6
382.04068	0.8
385.25363	2.7
413.18054	0.7
460.18671	4.9
478.19791	3.6
479.20462	0.7
510.15479	0.9
510.22351	14.3
511.22174	1.0
529.33209	2.1
547.30145	5.6
553.33276	1.8
571.34674	4.1
589.31573	30.3
590.32379	1.5
597.32318	0.8
601.26611	9.6
602.26141	1.1
615.33533	7.3
633.30884	100.0
634.31177	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	633.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58443	0.7
69.10492	3.3
69.10900	1.6
81.07068	1.4
85.02899	1.7
103.05424	0.8
107.08579	1.1
120.08175	0.8
130.70590	0.7
136.07640	1.9
138.09212	1.4
154.08627	1.1
162.10474	0.8
163.03908	3.8
164.07202	1.6
166.08728	2.5
176.07101	0.9
182.71341	0.8
188.03560	2.7
206.04601	1.1
211.97704	0.8
263.12033	1.1
279.11484	3.3
297.12610	1.9
309.12555	2.6
310.13245	0.9
337.11954	2.1
338.12625	1.0
339.13412	4.2
341.11255	4.9
345.14508	0.9
356.38089	0.9
367.28543	1.4
369.14780	3.5
371.16122	3.3
385.29474	2.6
460.18765	1.6
478.20175	1.6
510.22318	4.1
511.32739	1.4
529.33527	4.2
547.34253	6.9
553.33313	6.1
571.34424	9.3
589.35620	22.5
590.35565	1.7
597.32343	4.2
601.26929	4.0
615.33466	17.9
616.34241	1.3
633.34662	100.0
634.34967	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	634.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56979	6.9
55.93535	9.5
72.93777	15.1
76.72685	8.0
89.07036	7.5
99.01523	8.0
117.03358	9.1
123.04358	12.4
131.04883	10.5
135.04428	26.9
144.55756	8.2
145.02852	17.1
150.98419	9.9
163.03914	61.5
165.07039	32.6
168.92757	7.8
178.97882	26.3
181.04924	18.4
181.06406	11.8
193.06491	14.5
194.97400	39.2
196.98888	9.1
197.06078	12.7
199.97513	9.2
205.06494	11.4
205.96637	10.2
206.97374	35.7
211.07629	10.0
212.98415	55.7
218.97406	12.4
221.06003	24.3
223.07510	63.2
223.97699	17.1
224.98410	77.2
226.99959	14.2
234.96852	64.1
242.97252	8.9
249.05589	11.6
251.07036	11.0
252.97820	100.0
256.98843	9.9
267.00986	24.6
272.98712	8.4
276.99387	28.6
283.00436	11.6
284.98392	11.9
285.01843	13.8
287.00095	19.1
292.98880	24.2
293.99741	9.6
295.00452	51.2
296.98544	12.5
297.01935	8.4
299.00055	12.5
302.99677	9.8
304.98941	12.7
308.98315	21.0
311.00000	36.3
313.01318	39.4
320.98340	20.0
322.99982	58.5
326.99350	10.6
329.01044	10.5
337.98648	28.1
338.99454	72.6
340.00140	12.7
341.01068	30.3
342.99048	11.2
350.99460	85.0
357.00571	27.9
364.97501	11.1
366.98926	42.4
368.00006	11.2
369.00528	68.4
384.99896	43.6
387.01703	29.1
394.98438	48.1
403.00998	20.5
404.03427	10.5
412.99490	50.7
429.04123	9.2
431.00507	47.3
475.04929	16.9
485.02841	14.3
493.05466	24.3
503.04218	58.2
504.04416	8.1
519.03735	17.5
547.03180	88.1
565.04370	24.0
593.03540	43.3
611.04742	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	634.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.3
57.03431	2.2
61.02919	1.3
61.40268	1.2
65.59577	1.4
67.05518	1.9
69.33836	2.7
69.34247	4.4
69.87675	1.3
73.57890	1.1
76.75196	1.3
83.04457	2.0
83.04970	34.6
84.05274	1.3
85.02896	76.6
91.05463	1.6
97.02881	1.5
98.06013	1.3
109.02876	1.9
111.04437	24.3
127.03873	7.6
129.05463	8.9
131.12036	1.2
163.03876	1.5
171.06512	100.0
172.06900	2.3
231.08626	16.0
548.34991	3.2
590.35950	7.5
633.34100	2.5
634.35254	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	634.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26097	1.3
55.01871	1.7
55.05503	6.2
56.97010	1.1
57.07052	1.2
57.34464	1.2
59.58929	1.4
63.47849	1.5
65.03931	2.2
67.05498	19.0
69.03438	2.1
69.07066	2.5
69.84798	3.3
69.85163	2.8
71.04987	5.8
79.05489	11.3
81.07048	12.0
83.04977	6.7
85.06524	2.4
89.06013	3.0
91.05473	36.9
93.07029	17.4
95.04947	19.8
95.08576	7.4
97.06520	3.9
103.05466	2.1
105.07018	53.6
106.26928	1.3
107.08595	8.7
109.06517	7.6
109.10187	3.8
115.05428	8.9
116.06255	2.0
117.07001	59.7
118.29957	1.4
119.04956	4.1
119.08552	17.6
121.06484	8.6
121.10123	5.0
123.08059	3.5
127.05539	1.5
128.06204	15.1
129.06979	32.9
130.07776	9.3
131.08549	45.5
133.06409	7.1
133.10121	21.6
135.08025	5.1
137.09573	7.2
141.07027	6.5
142.07764	12.9
143.08553	40.2
144.09274	2.7
145.06483	5.9
145.10109	64.9
147.08009	8.9
147.11684	4.4
149.09607	5.0
153.06978	1.9
154.07733	3.0
155.08540	13.3
156.09346	6.2
157.10110	28.5
158.07249	4.1
159.08044	3.4
159.11679	10.9
161.09615	11.4
161.13269	4.0
163.11128	3.2
165.06979	2.2
169.10138	4.0
170.10902	2.3
171.08084	4.2
171.11624	11.0
173.09599	100.0
173.13112	3.0
174.09927	2.6
175.11182	15.6
180.09315	3.3
183.11673	2.5
183.53853	1.4
185.13234	25.7
187.11147	5.6
189.12756	4.6
191.10648	19.1
195.11688	5.8
201.12712	1.6
203.14313	17.2
213.12727	17.5
231.13777	27.5
249.14946	6.2
327.19489	2.2
416.27859	5.0
464.87164	1.6
634.40521	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27294	2.0
53.03942	2.8
53.52774	2.0
55.05496	6.3
57.07063	20.0
67.05499	12.5
69.03410	8.2
69.07054	5.6
71.04984	4.0
71.08627	42.5
73.06553	2.1
79.05478	16.7
81.07047	17.4
82.84658	2.2
83.04961	15.4
85.06561	3.8
85.10180	21.7
87.04457	18.5
87.05566	2.1
89.06023	92.4
89.17238	2.4
91.04937	4.1
91.05473	55.5
93.07030	25.8
95.04955	27.9
95.08578	11.3
97.06521	5.8
101.06007	2.7
103.05438	3.4
105.06349	4.2
105.07020	66.1
107.04931	8.7
107.07089	4.5
107.08582	16.0
109.06496	10.0
109.10139	5.8
110.30121	2.0
115.05441	10.3
116.06208	6.3
117.07006	64.4
119.04925	9.7
119.08564	26.1
121.06493	35.6
121.10142	5.4
123.08075	5.4
127.14780	3.2
128.06184	18.3
129.06984	43.2
130.07805	11.3
131.07016	7.7
131.08556	50.4
131.09517	1.8
133.06444	8.0
133.08592	70.7
133.10103	29.5
135.08035	13.9
135.11589	2.5
141.06973	8.8
142.07793	13.1
143.08557	47.6
145.06464	7.5
145.10114	74.0
147.08041	19.7
147.11679	5.2
149.09602	12.8
151.11131	3.8
153.06931	4.0
154.07843	4.1
155.08516	22.2
156.09285	7.6
157.10124	33.0
159.07964	3.1
159.11717	12.3
161.09595	13.6
161.13217	6.1
163.11166	9.4
165.07030	4.6
165.09065	13.2
167.10616	4.8
169.10092	6.9
170.10757	2.3
171.08015	3.7
171.11652	16.6
173.09602	100.0
173.13168	3.6
175.09772	3.3
175.11162	21.3
175.14746	4.3
177.11215	23.3
180.09348	3.8
183.11644	4.6
185.13228	25.5
187.11162	5.1
189.12701	8.4
191.10622	19.7
193.12340	3.1
195.11720	11.7
203.14281	15.4
209.11708	6.4
211.13271	3.2
213.12695	27.9
221.13710	4.8
231.13776	48.0
247.20592	15.9
249.14798	7.9
255.15602	2.8
273.22061	4.2
279.15637	2.3
291.23126	35.2
335.25668	9.2
491.28329	5.3
617.42700	5.6
634.44727	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	635.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.48445	0.4
58.22063	0.3
60.59031	0.3
64.65425	0.4
65.03934	0.8
66.04709	0.4
69.64992	0.8
69.65383	0.5
79.05479	0.7
81.07041	0.4
85.02937	0.4
88.49847	0.3
91.05448	0.9
94.04173	1.8
107.04932	0.7
114.67627	0.3
115.05428	1.1
117.07006	1.2
122.03638	5.9
123.04433	0.4
137.05963	100.0
138.06293	1.3
143.04916	3.1
145.06454	1.8
147.08044	0.4
151.03877	2.1
152.40230	0.4
153.05380	0.7
155.06027	0.9
161.05968	0.4
167.07022	9.4
171.06477	1.1
173.05943	3.5
173.07278	0.5
173.45560	0.3
175.07553	1.1
181.04938	15.6
189.05411	0.4
203.07014	1.3
205.08505	2.3
221.08034	0.5
233.08014	1.5
235.09483	2.0
256.44925	0.4
357.13263	7.1
369.13095	0.7
387.14337	67.3
388.14716	2.9
514.62946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2977
Annotation	Rescinnamine
Peak:m/z	Relative Intensity
57.07072	2.0
58.82559	1.4
71.08633	2.9
71.09776	1.8
83.46938	1.1
84.23180	1.1
87.04483	1.7
87.31890	1.1
89.06052	6.1
91.05499	1.3
94.17895	1.1
95.08639	1.5
96.58323	1.3
102.95911	1.1
121.06477	1.5
133.08609	5.2
159.79631	1.1
189.09138	1.6
201.09053	1.9
204.25266	1.2
213.09096	8.8
231.10234	1.3
246.79999	1.4
283.16977	1.9
304.10641	2.5
305.11560	4.5
353.17163	21.6
466.61725	1.2
572.97833	1.3
635.29773	100.0
636.30280	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	636.41
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37162	2.9
55.05504	6.0
67.05511	8.2
69.07056	10.3
79.05484	19.0
79.88744	3.4
81.07038	13.2
83.04973	13.4
85.06551	3.1
86.09702	6.3
91.05474	40.8
93.07008	18.1
95.04980	20.4
95.08598	10.0
95.25686	3.8
97.06521	7.8
103.05399	3.6
105.07021	51.1
107.08582	10.1
109.06482	7.9
109.74310	2.8
115.05405	9.2
116.06198	4.4
117.07003	60.3
119.04928	4.4
119.08553	21.0
121.06493	7.5
122.92953	4.0
128.06189	17.7
129.07005	34.3
130.07788	11.7
131.08548	45.8
133.06554	8.6
133.10097	21.2
135.08035	5.7
135.11694	9.5
141.06963	9.8
142.07767	12.5
143.08548	42.1
145.06477	6.8
145.10114	67.5
147.08037	9.1
147.11694	4.3
149.09541	5.4
155.08543	21.8
156.09290	5.6
157.10139	23.0
159.08083	4.3
159.11728	7.1
161.09602	14.6
161.13255	4.8
165.06973	6.7
169.10165	4.5
171.08034	6.1
171.11726	15.2
173.09593	100.0
175.11143	12.8
175.14748	4.6
184.07301	22.6
185.09721	3.2
185.13228	35.1
187.11191	5.5
189.12717	8.2
191.10638	17.2
195.11690	9.2
202.15932	3.7
203.14282	19.1
213.12730	29.8
231.13780	51.8
243.74496	3.4
249.14848	10.6
343.22675	3.6
448.48883	3.5
575.27362	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	637.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
56.05031	1.6
57.07079	0.6
58.46092	0.5
69.58102	1.2
74.10320	0.5
86.06060	100.0
87.06398	0.8
90.98318	0.5
95.04975	0.8
98.06046	21.9
98.22734	0.6
107.04905	1.0
111.04446	2.7
113.06017	1.2
115.08682	75.2
116.09048	0.7
121.01089	0.7
125.07121	5.9
130.08626	1.3
131.34158	0.5
135.04410	2.0
137.05975	0.6
139.03912	3.1
141.06587	1.5
142.08611	2.5
148.09663	0.6
149.00569	2.0
151.07555	1.2
151.24626	0.5
165.00069	0.7
165.05484	0.5
192.99559	1.9
195.01120	1.8
195.04727	0.8
196.04285	0.5
206.02769	1.3
221.02626	1.1
225.07504	0.9
227.11952	0.5
227.13876	3.6
266.04822	1.5
289.10681	0.7
289.58008	0.6
295.12799	1.0
302.03799	0.5
309.09009	6.7
310.33902	0.6
327.10031	2.2
354.94226	0.6
421.14075	0.9
439.15335	4.2
507.14304	30.4
508.14456	2.4
566.72510	0.8
619.19653	9.2
620.19739	1.0
636.29816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06650	3.8
68.54169	4.2
71.43221	3.8
117.42815	5.3
134.20343	4.0
387.78183	4.2
393.20203	5.3
405.20718	5.0
415.19409	10.5
421.20331	4.4
429.21140	6.9
457.20081	5.0
458.20755	4.9
486.20209	5.2
487.21222	4.4
490.19879	6.0
497.41568	4.2
499.20688	7.6
513.19006	6.0
517.22064	13.3
531.23596	10.6
549.24933	9.2
559.23315	69.0
577.23669	5.4
587.22284	14.9
619.25513	70.7
620.26013	6.8
628.05322	5.5
637.26373	100.0
638.25708	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	637.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69696	0.6
69.71467	2.3
82.85190	0.6
85.97832	0.6
97.18900	0.7
134.81018	0.7
139.24005	0.6
178.91861	0.7
196.45053	0.6
201.00696	0.6
272.11816	0.7
328.42392	0.6
373.15268	0.8
377.17783	0.7
385.14346	0.8
386.15820	0.8
387.16202	1.1
391.19113	1.2
392.19647	0.8
393.20517	2.4
399.15976	2.3
400.16852	2.0
401.17627	3.8
402.18979	0.8
407.22208	2.9
413.17682	2.8
414.18665	3.1
415.19324	7.2
416.20197	1.1
417.20895	1.2
421.20184	2.2
427.19461	1.8
428.20413	3.0
429.21118	7.6
430.21295	2.7
435.21661	1.5
439.18851	0.9
441.16492	0.7
443.18182	2.8
443.22485	3.1
444.18793	5.4
445.20099	2.0
455.18460	1.6
456.19452	2.3
457.20517	5.3
458.21030	5.7
471.22116	8.5
472.22787	6.5
473.19604	3.4
474.20261	1.6
484.19019	1.1
485.19449	3.2
486.20428	4.9
487.20752	3.5
488.22052	1.3
490.19818	2.3
499.21222	10.8
500.21719	2.4
502.19803	1.4
503.25269	3.1
513.19781	1.2
514.19971	1.0
516.21271	1.6
517.22321	3.2
527.20667	2.1
531.23810	10.6
543.24194	1.5
544.21472	0.9
545.21814	1.4
549.24908	1.5
559.23322	100.0
560.23480	6.9
587.22766	18.8
619.25446	87.8
620.25958	6.8
637.26508	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	638.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68925	0.5
79.05434	2.0
80.04982	0.7
87.13653	0.5
91.05417	2.1
93.05751	0.7
93.06967	2.2
94.06566	3.2
98.23515	1.3
103.05403	2.6
103.06026	0.6
105.05711	0.5
106.06511	0.8
107.07278	0.9
108.08116	4.1
110.09653	1.0
118.06478	1.8
120.04437	3.0
120.08093	16.5
122.06023	6.7
122.09604	2.3
124.07575	0.9
131.93842	0.6
132.08032	1.2
134.05934	0.9
134.09639	1.1
136.07565	8.2
138.05467	0.8
138.09052	1.1
144.04433	1.1
144.08107	0.7
146.05992	4.3
146.40793	0.6
148.07555	30.5
150.09090	2.5
151.09926	0.7
152.07002	1.7
160.03882	1.1
160.07524	1.6
162.05444	1.1
162.09044	1.5
164.07018	3.7
164.10681	1.9
166.05019	0.6
166.08623	3.8
172.03951	3.4
176.06960	0.9
176.10699	0.8
177.07756	1.3
178.08551	1.1
180.10196	3.3
185.10670	0.9
188.07024	0.6
190.04910	2.5
192.10175	1.6
194.08113	2.4
196.09805	1.0
197.10716	1.9
204.06563	4.4
206.08096	2.0
207.08998	0.6
208.09583	1.3
209.10696	2.6
210.11356	1.0
211.08498	1.3
211.12177	1.4
212.09392	2.4
213.10144	1.2
222.11421	0.6
223.08643	2.3
223.12259	2.4
224.09389	3.0
224.12823	1.4
225.10136	5.6
226.10692	1.2
227.11732	2.5
233.10696	1.4
234.11484	0.6
235.08617	3.0
235.12267	1.7
236.09210	2.8
237.10182	13.1
238.10968	1.9
239.08102	3.1
239.11725	7.5
241.09633	2.6
247.08551	0.6
248.09219	2.6
249.10225	7.5
250.10944	4.1
251.08144	4.5
251.11766	9.9
252.08760	1.6
252.12512	2.5
253.09705	6.8
253.12212	0.9
253.13380	0.9
254.10379	1.0
255.11259	3.2
261.10178	3.4
262.10931	1.5
263.07922	1.3
263.11789	8.1
264.08920	1.6
264.12381	0.6
265.09665	13.9
265.13257	1.5
266.10394	2.9
266.13770	0.9
267.11264	9.0
268.11917	1.0
269.09192	1.0
269.12811	2.8
271.10748	4.5
271.14365	0.9
276.08820	1.0
277.09650	3.7
277.12851	0.9
278.10455	5.9
279.07635	5.7
279.11224	15.7
280.08728	1.0
280.11859	3.4
281.09564	3.8
281.12769	3.7
282.09863	2.3
283.10718	9.0
284.11349	1.3
285.12320	1.7
287.13742	0.8
289.09674	10.5
290.10364	0.9
291.11118	6.2
292.08551	0.6
293.09158	5.0
293.12790	5.7
294.09982	6.6
294.13275	1.1
295.10681	7.0
295.14346	1.6
296.11478	4.0
297.08664	1.8
297.12311	4.7
298.09476	1.1
299.10150	3.3
299.13840	2.2
305.09299	1.5
305.12759	0.6
306.09830	2.0
307.10693	5.6
308.11441	2.1
309.12326	5.0
310.13037	0.7
311.10193	13.0
311.13892	2.7
312.10989	4.7
313.11865	3.9
314.12570	2.7
315.13715	0.9
316.14114	1.1
317.09207	1.9
319.10602	0.7
321.08725	1.0
321.12256	1.5
323.10260	1.9
323.13895	2.3
324.11069	2.0
325.11926	5.1
326.12613	7.5
327.13327	13.4
328.14072	0.9
329.14896	3.1
330.15903	0.8
331.16467	0.8
335.10196	12.4
335.13754	0.7
336.10840	1.3
337.11612	3.3
339.13351	63.5
340.10416	3.3
340.13797	3.0
341.15073	0.8
342.12271	0.8
342.15982	0.8
343.12833	0.7
344.13916	1.1
344.17685	0.8
349.11667	1.0
351.13300	1.8
352.10464	1.8
353.11139	1.3
353.14862	1.3
354.11929	6.0
354.15808	1.1
355.12823	14.3
355.16946	1.0
356.13574	1.8
357.14508	1.2
358.15439	1.2
365.11301	0.7
367.12845	21.6
368.13281	1.4
369.14557	1.3
370.15399	1.2
371.12241	4.3
371.16357	0.9
372.12997	0.7
372.17120	0.9
376.16656	1.6
381.14526	1.0
383.16318	1.1
384.13037	1.1
385.13705	0.8
386.14655	3.7
387.15384	5.2
390.18063	1.4
399.15533	7.0
400.16257	1.7
401.16632	0.7
402.18353	0.7
412.16400	0.7
413.16974	1.3
414.18201	1.2
418.17502	1.3
432.19449	0.8
442.17493	2.1
446.20963	1.1
458.20624	0.8
459.18549	0.7
461.19101	0.9
462.20801	0.9
470.17041	2.5
474.20325	3.1
486.20221	2.9
494.23090	0.7
502.19659	5.1
512.18274	1.3
520.20782	1.0
521.21521	2.4
530.19232	6.1
534.22321	5.5
552.23444	11.4
562.21771	37.3
563.22156	2.6
574.18085	0.9
594.24384	100.0
595.24518	7.0
606.20746	9.1
620.22125	4.4
638.23346	80.2
639.23590	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.234
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.6
67.05449	0.5
70.93645	0.6
79.05485	1.9
80.04971	0.6
91.05416	1.3
93.05770	0.5
93.07041	2.2
94.06559	3.1
95.04904	0.5
96.08083	0.5
103.05417	1.8
105.04402	0.4
105.05737	0.6
106.06456	0.6
107.07282	1.0
108.04425	0.5
108.08111	4.3
110.09673	0.6
118.06474	1.3
118.18277	0.4
120.04456	3.4
120.08094	14.0
122.06017	8.4
122.09610	1.5
124.07494	0.6
127.85963	0.4
132.08026	0.7
134.05995	0.5
134.09676	0.7
136.07570	7.0
138.05453	0.6
138.09068	1.2
146.05954	3.5
147.95305	0.4
148.07562	27.0
149.07854	0.7
150.09137	2.5
150.37596	0.4
152.06995	1.5
160.07578	0.9
162.09120	0.6
163.03731	0.6
164.07040	2.2
164.10596	0.7
166.08594	2.9
172.03889	1.1
172.07530	0.5
174.05461	0.8
176.10670	0.7
180.10193	2.5
183.09100	0.4
184.09894	1.1
185.10698	0.5
186.05493	0.5
188.07028	0.5
190.04964	1.7
194.08081	1.7
194.09627	0.5
196.09798	0.8
197.10698	1.3
199.12276	0.4
204.06653	0.5
206.08070	0.5
207.08965	0.5
208.09734	1.6
209.10680	1.1
210.11449	0.6
211.08618	1.1
211.12175	1.1
212.09358	1.6
218.08038	0.5
220.09866	0.5
221.10712	1.0
222.11476	0.7
223.08630	1.5
223.12291	2.1
224.09427	2.0
224.12737	0.7
225.10190	5.0
226.10895	1.0
227.11856	2.4
233.10622	1.7
234.11467	0.6
235.08644	2.6
235.12257	0.8
236.09346	2.3
237.10219	13.0
238.10977	3.6
239.08253	2.3
239.11768	5.0
241.09656	1.0
241.13417	0.4
247.08556	0.8
248.09305	2.7
249.10193	10.0
250.10953	3.4
251.08110	4.3
251.11732	9.9
252.08871	2.7
252.12509	1.9
253.09668	7.0
253.13196	1.1
254.10431	0.8
255.11235	6.6
256.11731	0.7
258.07819	0.6
261.10202	6.8
262.10941	2.4
263.08133	1.4
263.11777	9.5
264.08905	1.3
264.12387	0.8
265.09689	12.8
265.12939	0.6
266.10406	3.1
267.11264	9.8
268.11832	1.0
269.09232	0.9
269.12775	1.4
271.10709	2.4
273.12427	0.5
275.08136	0.4
276.08801	1.0
277.09680	3.4
277.13211	0.9
278.10489	4.8
279.07678	4.0
279.11221	16.1
280.12000	3.4
281.09146	2.8
281.12372	3.1
282.09888	1.4
283.10764	8.6
283.14038	0.6
284.11337	0.8
285.12323	0.9
289.09683	13.1
290.10352	1.8
291.08167	0.5
291.11215	10.2
292.08548	0.6
292.11743	1.1
293.09180	2.7
293.12756	4.4
294.10046	5.8
294.13501	1.0
295.10751	7.7
295.14270	1.1
296.11520	4.7
297.08817	0.9
297.12277	2.7
298.09433	1.1
299.10300	2.1
305.09244	0.8
305.12595	0.7
306.09949	1.4
307.10748	5.6
308.11487	1.7
309.08829	0.5
309.12259	3.7
310.12985	1.6
311.10193	10.4
311.13885	3.3
312.11038	4.1
313.11545	1.9
314.12650	1.7
315.13611	0.6
316.14279	0.5
317.09201	1.9
319.10455	0.7
321.08563	1.2
321.12384	1.2
323.10159	2.3
323.13873	4.3
324.10983	3.8
325.11761	3.2
326.12582	7.1
326.16354	0.5
327.13351	8.4
328.14108	0.8
329.15060	1.2
330.15918	0.8
333.12378	1.2
335.10202	19.2
336.10773	1.4
337.11923	1.6
339.10358	2.6
339.13370	60.4
340.10349	4.4
340.13794	3.0
341.14874	0.7
342.16034	0.6
343.13321	0.6
344.13843	0.9
344.17682	0.6
349.11850	1.7
351.13443	1.9
352.10431	1.8
353.11212	1.3
353.14932	0.8
354.12103	8.4
354.16034	1.4
355.12848	17.0
355.16565	0.8
356.13345	2.0
358.15472	0.8
366.12051	0.5
367.12848	39.4
368.13452	2.6
368.17654	0.6
369.14938	0.7
371.12338	0.8
372.17032	0.6
381.14685	1.2
382.15405	0.8
383.16040	0.5
385.13724	0.7
386.14536	0.7
386.19040	0.6
387.15723	0.5
390.17966	0.8
395.12180	0.6
398.18744	1.1
399.15604	1.0
400.16379	1.0
402.18414	0.5
414.18408	1.9
416.15817	0.5
418.17572	1.3
424.16611	0.5
442.17590	1.6
444.19189	0.6
446.16470	0.5
458.20767	1.3
459.18060	0.6
460.18857	0.8
461.19214	0.6
470.16974	5.0
474.20291	2.7
478.19412	0.6
486.20135	3.4
488.18195	1.2
493.21951	0.7
502.19754	4.8
503.20078	0.8
512.18268	1.1
518.23059	0.6
520.20709	5.1
521.21490	2.0
530.19141	11.6
531.19617	1.4
534.22357	3.9
546.18475	0.7
547.19568	0.6
562.21790	41.5
563.22034	3.3
574.18170	16.3
574.27411	0.5
575.18713	0.9
578.21100	4.7
588.19849	1.6
594.24597	0.6
606.20782	100.0
607.21075	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	638.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76635	0.5
65.03889	0.6
67.05459	0.7
70.92582	0.4
71.70254	0.4
74.95591	0.4
75.83668	0.4
79.05490	2.5
80.04971	1.0
91.05420	1.6
93.05743	0.6
93.07033	2.8
94.06564	3.2
95.04918	1.2
96.08070	0.6
103.05402	2.2
105.05737	0.6
107.07283	1.1
108.07452	0.5
108.08100	5.1
110.09601	0.6
118.06481	1.7
119.07215	0.7
120.04439	4.5
120.08092	15.0
121.08447	0.5
122.05253	0.7
122.06019	8.7
122.09616	2.0
129.06993	0.6
130.06425	0.5
132.07988	1.0
134.05977	1.3
134.09625	1.0
136.07561	8.4
138.05458	0.9
138.09055	1.4
146.05983	4.6
148.07550	30.7
150.05428	0.7
150.09142	3.1
152.07053	2.2
160.07588	0.9
162.09103	1.0
164.07007	1.9
164.10701	0.8
166.08601	2.7
172.03937	1.2
172.07443	0.6
175.25241	0.5
176.10606	0.8
180.10161	2.5
182.09581	1.0
183.09158	0.7
184.09845	0.9
185.10547	0.5
190.04979	1.9
194.08105	1.6
194.09714	0.9
195.09088	0.5
196.09763	0.6
197.10684	2.4
204.06502	0.8
204.09982	0.5
207.09178	0.6
208.09637	1.4
209.10608	1.9
210.11420	1.4
211.08569	1.1
211.12215	1.5
212.09378	1.6
213.10135	0.6
216.06375	0.6
220.09723	0.6
221.10760	1.3
222.07726	1.1
223.08643	2.4
223.12161	2.2
224.09401	2.5
225.10170	5.7
226.10916	1.1
227.11737	4.1
233.10675	1.4
235.08531	2.8
235.12267	1.2
236.09346	2.3
237.10181	14.8
237.13783	0.9
238.10881	4.0
239.08058	2.9
239.11725	6.0
241.09647	1.8
247.08817	0.6
248.09290	2.7
249.10199	10.7
250.10986	4.6
251.08116	6.2
251.11742	11.6
252.08844	2.8
252.12463	2.1
253.09688	7.5
253.13359	0.9
254.10248	1.0
255.11203	5.9
258.07498	0.7
261.10184	7.8
262.10983	2.5
263.08508	0.9
263.11755	9.9
264.08868	1.8
264.12250	0.5
265.09702	14.8
265.13013	1.0
266.10489	3.4
266.13202	0.5
267.11261	11.2
267.14322	0.9
268.11908	0.9
269.09052	0.9
269.12726	1.2
271.10675	3.0
275.08145	0.7
275.11871	0.6
276.08780	1.1
277.09601	4.7
277.12659	0.6
278.06467	0.7
278.07303	0.8
278.10428	5.9
279.07632	5.5
279.11224	20.2
280.08939	0.8
280.11938	4.9
281.09103	3.9
281.12778	3.5
282.10019	1.6
282.13205	0.7
283.10742	10.4
284.11276	1.0
285.12372	1.2
287.13797	0.7
289.09680	13.8
290.10336	2.0
291.08017	0.4
291.11221	8.9
292.08398	0.7
292.11859	1.5
293.09149	3.5
293.12784	5.3
294.10019	6.1
294.13232	0.9
295.10748	7.9
295.14075	0.9
296.11517	5.1
297.08615	1.5
297.12299	3.1
298.09384	1.3
299.10239	3.3
299.13141	0.5
303.11285	0.7
304.08392	0.6
305.09009	0.7
306.09705	2.0
307.10712	5.8
308.11502	2.6
309.12210	4.5
310.09576	0.5
310.13107	1.1
311.10181	11.0
311.13828	3.6
312.10895	4.2
312.14255	0.7
313.11780	2.5
314.12573	2.0
315.13593	1.0
316.14337	0.6
317.09256	3.0
319.10635	0.7
321.08734	1.1
321.12271	1.7
323.10156	2.5
323.13852	3.5
324.10980	3.8
325.11737	2.9
326.12524	6.0
327.13330	9.6
328.14264	1.3
329.14996	1.2
330.16016	1.0
333.12283	0.7
335.10214	19.4
336.10797	1.4
337.11783	2.0
339.13351	66.7
340.10428	6.0
340.14029	3.4
341.11227	0.7
341.15176	1.0
342.16019	1.0
343.12936	0.8
349.11710	2.3
351.13409	2.7
352.10495	1.8
353.11237	0.9
353.15344	0.6
354.12097	7.7
354.16034	1.1
355.12857	18.3
355.16516	0.8
356.13547	1.8
356.17532	0.7
357.14597	0.9
358.15448	1.2
367.12845	39.9
368.13306	2.4
368.17343	0.5
370.15387	0.6
372.17188	0.9
381.14380	0.9
382.15445	1.4
383.16272	0.9
386.14642	0.8
395.12396	0.7
399.15692	1.6
400.16339	1.1
412.16849	0.5
413.17676	0.6
414.18079	1.8
416.16043	1.0
418.17465	1.3
430.17365	0.6
432.19272	0.7
433.20050	0.7
442.17624	2.6
446.16760	1.0
458.20578	1.4
461.19174	0.6
462.19687	0.6
470.16980	4.5
474.20224	3.2
486.20419	3.1
488.18088	1.2
493.22476	0.6
502.19653	4.6
512.18066	1.4
518.23004	0.6
520.20782	6.3
521.21289	1.6
530.19073	12.6
531.19403	0.8
534.22241	5.5
535.22845	0.6
546.18298	0.9
562.21753	42.9
563.22095	2.3
574.18115	16.9
575.18561	1.4
578.21381	5.7
588.19543	1.8
594.23401	0.8
606.20740	100.0
607.21051	7.0
624.21454	0.7
638.23566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42828	0.4
62.10117	0.4
62.83385	0.4
65.03943	0.5
67.05525	0.7
69.11584	0.4
69.12521	2.9
79.05500	2.7
81.07079	0.6
91.05497	1.8
93.05732	0.6
93.07044	2.8
94.06570	2.8
95.04962	0.9
95.07392	0.4
96.08124	0.6
103.05465	1.6
104.27285	0.5
105.05765	0.6
105.07010	0.8
106.06565	0.6
107.07343	0.5
108.08110	4.9
110.09703	0.5
114.07844	0.5
118.06550	1.4
119.04905	0.5
119.07303	0.8
120.04449	4.0
120.08090	15.3
122.06003	7.6
122.09686	1.6
132.08118	1.1
134.06013	0.5
134.09685	0.6
136.07559	7.7
138.05531	1.0
138.09125	0.7
138.41199	0.4
145.02821	0.7
146.06007	2.8
146.09683	0.7
147.04410	1.0
148.07552	23.8
150.09097	2.7
152.07072	1.7
160.07588	0.8
162.09123	0.8
163.03885	0.8
164.07106	1.8
166.08592	2.6
172.03932	1.1
172.07637	0.6
176.10818	1.2
177.05440	0.8
180.10208	1.7
182.09712	0.5
184.09969	0.6
190.05011	1.7
194.08162	1.0
196.09972	0.7
197.10771	1.7
198.11513	0.7
204.06516	0.6
206.08153	0.7
208.09616	0.9
209.10756	2.5
210.11603	0.6
211.08711	0.9
211.12352	1.1
212.09531	1.5
213.10197	0.7
219.09319	0.6
221.10680	0.7
222.07878	0.6
222.11462	0.8
223.08730	1.9
223.12363	1.5
224.09409	2.4
224.13170	0.8
225.10211	4.8
226.10977	0.9
227.11740	2.2
233.10779	1.4
234.11441	0.7
235.08528	2.8
235.12282	1.1
236.09392	2.5
237.10188	11.8
237.13803	0.6
238.10905	2.6
239.08136	1.8
239.11707	4.4
239.13550	0.4
240.12357	0.5
241.09770	1.4
241.13376	0.4
242.53264	0.4
248.09500	2.8
249.10173	10.4
250.10950	3.8
251.08061	4.8
251.11760	9.0
251.14185	0.6
252.08823	1.9
252.12540	2.1
253.09688	6.8
253.13535	0.7
254.10417	1.0
255.11217	4.8
258.07602	0.6
261.10254	4.8
262.10883	2.6
263.08374	1.2
263.11765	8.6
264.09006	1.3
264.12543	1.1
265.09692	13.3
265.13034	0.8
266.10361	3.6
266.13815	0.4
267.11249	9.3
268.11993	1.0
269.09399	1.2
269.12894	1.7
271.10684	2.2
274.11224	0.5
276.08948	1.6
277.09787	3.9
277.12512	0.6
278.07318	0.6
278.10489	5.5
279.07745	4.6
279.11331	17.3
280.11951	3.1
281.09268	3.9
281.12869	3.2
282.10172	1.0
282.13312	0.5
283.10745	10.5
283.14108	0.6
284.11487	0.8
285.12326	0.6
289.09662	12.9
290.10431	2.1
291.07950	0.4
291.11215	8.7
292.12051	1.1
293.09244	2.9
293.12860	5.2
294.10037	4.7
294.13269	1.0
295.10718	6.6
295.13965	0.8
296.11441	3.5
297.08780	1.2
297.12360	2.8
299.10095	2.1
303.11331	0.6
305.09186	1.1
305.12646	1.0
306.09827	2.3
307.10733	4.9
308.11578	2.0
309.08829	0.9
309.12204	4.3
310.13123	1.4
311.10300	9.6
311.13919	2.7
312.11014	3.7
313.11853	1.8
314.12750	1.7
315.13687	0.6
316.14548	0.7
317.09152	2.9
319.10739	0.6
321.08694	1.3
321.12363	1.1
323.10333	1.9
323.13968	3.3
324.10956	3.2
325.11829	3.1
326.12616	5.5
327.13318	8.0
328.14194	0.8
333.12323	1.5
335.10226	17.5
336.10913	1.3
337.08212	0.6
337.11914	1.9
339.09793	2.0
339.13342	54.9
340.10516	5.5
340.14120	2.3
343.13177	0.7
344.13821	0.6
349.11823	1.2
351.13486	1.8
352.10529	1.5
354.12073	7.0
354.16006	1.2
355.12860	16.1
355.16650	1.0
356.13434	1.3
357.14597	0.7
358.15274	0.9
367.12836	35.6
368.13446	1.8
369.14795	0.5
370.15359	0.6
372.13062	0.6
372.17252	0.7
377.11115	0.5
381.14505	1.0
382.15305	0.5
383.16058	0.8
384.13226	0.6
385.14056	0.7
388.16617	0.5
390.18073	0.6
395.12265	0.9
396.17313	0.7
399.15723	1.2
400.16516	0.8
402.18365	0.9
404.16470	0.5
414.18210	1.3
415.18756	0.5
418.17651	1.3
442.17422	2.1
446.16360	0.7
446.21399	0.7
470.17093	3.9
474.20236	2.8
486.20480	2.9
488.18127	0.8
492.20914	0.6
493.22211	0.7
502.19739	6.2
512.17896	1.8
520.20667	5.3
521.21222	1.8
530.19141	11.2
531.19275	0.7
534.22321	3.7
546.18280	1.0
562.21735	39.7
563.22009	3.0
574.18085	15.3
575.18347	1.6
578.21246	4.9
588.19928	1.4
606.20721	100.0
607.21124	7.5
637.37750	1.0
638.23358	0.8
638.37976	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.1
51.02366	0.1
53.03933	0.3
53.80471	0.1
55.01863	0.1
57.07071	0.9
69.78514	0.3
77.03933	0.2
79.05493	1.0
81.03436	0.1
85.02899	0.5
85.06046	0.2
85.06537	3.2
85.07050	0.2
88.43772	0.1
95.04959	1.9
97.02835	0.1
105.04483	0.7
107.04945	100.0
108.05278	1.3
127.03889	0.1
145.04924	0.3
145.08591	3.3
163.03885	0.1
191.09129	1.6
198.84460	0.1
216.21280	0.1
218.89359	0.1
618.11334	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	638.274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19339	1.7
55.01869	4.3
55.05518	2.2
58.99584	8.1
67.05522	1.8
69.07066	2.8
70.02948	15.8
70.09946	4.8
72.04507	2.0
74.00667	7.7
74.02470	3.1
76.02219	31.9
76.04007	15.4
81.07059	2.4
82.88423	1.9
83.06091	8.3
84.04505	24.1
85.04022	25.4
88.03981	1.8
92.01688	12.8
93.07053	2.9
94.23887	1.6
95.08627	5.7
98.22729	2.2
99.05578	8.3
101.03398	1.6
109.07645	4.9
109.10154	4.4
112.03983	4.2
113.03484	8.8
116.01679	10.2
116.03460	3.0
122.44171	1.7
129.06589	10.1
130.04994	34.5
131.04521	19.9
142.03230	3.7
144.01173	3.9
145.06073	76.7
149.03824	2.2
153.06607	4.1
155.08142	4.8
160.00658	4.7
162.02170	14.4
169.06093	2.1
171.07855	2.1
177.03293	100.0
179.04842	31.1
181.06129	3.0
185.03757	9.5
187.05682	2.6
189.09077	3.1
193.03168	13.1
195.04799	4.0
197.09596	2.5
199.07248	5.1
203.05289	2.9
205.03271	2.1
207.04819	3.0
211.07585	3.4
213.05807	2.2
213.09087	10.9
217.06903	2.2
217.11687	2.1
219.04918	2.4
221.06454	2.6
227.05338	4.4
227.10780	2.6
231.04385	24.6
233.06079	6.5
235.07872	2.4
239.10715	4.3
240.11253	2.4
241.06859	2.6
245.06265	5.6
252.55241	2.0
255.13908	2.8
259.07892	2.7
265.15887	2.1
267.13834	3.8
274.10403	11.0
277.08600	2.3
281.15433	3.2
282.16211	3.1
283.16898	10.6
288.06534	7.7
295.16992	5.4
297.13165	3.8
301.18066	4.8
306.07574	15.1
308.08978	14.0
313.18066	4.1
315.14148	5.0
327.14270	4.0
331.18997	5.3
333.20532	2.5
345.15204	7.5
347.16794	4.7
363.16199	15.0
365.17563	5.4
406.20413	12.5
479.22025	4.8
491.22122	12.0
509.23181	49.5
520.32410	2.2
545.22876	2.2
563.15997	2.9
563.24194	41.9
564.23724	2.5
620.25690	3.2
638.27411	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	638.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96644	2.7
55.01877	3.3
55.05507	4.5
63.70569	2.5
64.14314	3.4
69.07072	3.2
70.02957	18.0
74.00666	5.0
76.02213	20.9
76.04001	17.6
83.06103	8.7
84.04511	16.3
85.04024	22.6
86.99042	2.6
92.01702	10.3
95.08595	7.7
99.05579	9.8
103.06110	2.6
112.03974	5.5
113.03485	6.3
113.98564	3.0
116.01674	6.3
116.03450	3.3
129.06567	4.0
130.04994	30.6
131.04501	15.1
140.54372	2.7
145.06073	100.0
147.42542	2.9
149.03870	4.0
153.06631	3.2
155.08215	3.7
159.02094	3.1
160.00563	4.5
162.02203	11.7
177.03291	82.5
179.04866	26.0
185.03792	8.3
193.03157	11.9
199.07370	4.2
202.82857	3.2
213.09093	14.8
215.05235	3.4
221.06372	3.0
231.04347	24.1
233.06023	8.2
239.10667	6.5
243.04897	3.2
245.06329	8.2
253.12148	3.3
267.13760	3.8
269.13354	3.5
271.07855	3.8
274.10483	16.8
281.15372	5.2
283.16943	13.6
288.06424	6.1
295.16971	6.8
306.07559	13.5
308.09128	18.0
313.17856	10.6
315.14069	6.0
317.20853	3.5
327.14182	7.6
331.18945	8.0
341.15570	5.2
345.15164	7.9
347.16757	8.9
359.16730	3.9
363.16092	8.1
365.17740	10.1
371.16904	3.4
389.17719	4.3
406.20438	16.8
479.22217	3.4
491.22073	12.6
509.23120	47.6
563.24249	25.0
620.26050	8.1
638.27142	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	638.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.6
55.01848	2.2
55.05501	4.7
60.08132	1.6
65.03912	2.2
67.05494	11.5
69.03410	2.4
69.07057	4.3
69.22165	4.4
69.22569	3.3
71.04982	4.5
71.07357	3.8
79.05480	15.4
81.07048	12.6
83.04986	6.9
83.05371	1.3
85.06522	3.0
86.09704	16.6
91.05471	39.8
93.03432	1.3
93.07037	18.0
95.04956	19.5
95.08605	8.1
96.37016	1.6
97.06509	5.0
97.36498	1.3
98.23411	3.4
99.42124	1.2
101.02077	1.4
103.05450	4.2
104.10742	13.9
104.40137	1.6
105.07019	58.0
106.07361	1.7
107.04944	4.0
107.08591	8.6
108.08120	1.5
109.06508	7.6
109.10132	1.7
115.05448	7.5
116.06208	2.7
117.07011	59.1
119.04949	2.4
119.08578	17.9
121.06477	6.9
121.10126	6.1
123.08064	2.4
124.99998	2.9
128.06224	16.1
129.06995	39.2
130.07809	14.1
131.08556	43.6
133.06444	6.6
133.10110	19.8
135.08047	5.9
135.11737	2.4
141.07014	3.9
142.07751	12.7
143.08556	40.4
144.09210	1.6
145.06439	5.4
145.10114	67.7
146.98183	9.9
147.08031	8.6
147.11716	7.3
149.09590	4.4
151.07607	2.2
153.06967	3.5
154.07712	4.2
155.08522	14.3
156.09344	6.7
157.10115	26.3
158.07269	3.7
159.08054	3.0
159.11693	11.4
161.09613	13.1
161.13191	4.8
163.11142	3.8
165.07001	4.5
169.10078	4.6
170.10883	3.6
171.08073	5.8
171.11658	15.3
173.09605	100.0
174.09978	2.5
175.11192	15.7
175.14825	2.7
179.10721	1.7
180.09306	2.1
183.11671	3.0
184.07375	9.5
185.09663	2.1
185.13234	23.3
187.11163	4.3
189.12729	4.3
191.10648	22.6
195.11697	5.9
201.12668	1.8
203.00797	6.8
203.14278	16.5
213.12756	20.0
217.09093	1.5
219.13788	1.7
231.13771	34.8
233.11684	6.2
244.16975	1.7
249.14812	4.2
262.08112	4.5
262.17889	1.9
314.58209	1.2
314.87970	1.6
322.20056	7.1
330.19028	1.6
340.21027	2.4
481.23053	11.0
489.44379	1.5
497.20413	3.2
535.17291	11.1
540.30518	15.8
541.31030	2.0
556.28070	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	639.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
95.57423	1.1
100.06340	1.0
106.46497	0.9
142.60286	0.9
172.09695	0.9
205.10242	1.0
233.09645	2.1
247.16527	1.1
255.64726	1.1
261.09131	1.0
299.57095	1.1
301.08408	2.5
311.12708	1.1
331.09357	100.0
332.09723	2.7
351.06866	1.9
361.09244	5.8
372.12057	3.6
379.10110	8.1
450.95721	1.0
465.70596	1.1
468.18243	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
69.16216	4.1
69.16631	5.3
71.32988	1.1
78.40108	1.4
81.07034	2.6
83.04972	5.0
92.53942	1.4
95.08610	2.7
105.07054	3.9
108.68139	1.3
109.10174	1.4
110.69668	1.5
119.08589	3.9
133.10115	2.5
147.11685	6.0
148.12102	1.9
161.13277	1.7
167.63594	1.6
203.17975	6.5
204.18333	3.6
204.26360	1.3
260.31625	1.4
391.19122	3.3
392.20148	1.9
405.20624	6.8
406.21414	3.9
407.22269	9.6
419.22546	2.4
420.22748	6.6
421.23911	16.5
422.24530	4.2
433.24042	4.1
434.24850	1.8
446.25183	1.6
449.19351	2.5
450.20892	1.7
451.21359	10.1
452.22101	2.0
463.21500	1.6
465.22867	24.1
466.23602	3.2
475.25671	1.9
479.24637	1.6
491.20956	2.6
493.25977	2.7
501.23199	2.6
503.24277	18.1
504.24567	2.7
507.27295	11.8
508.28378	4.1
523.23505	6.0
533.25732	2.9
535.27063	21.0
536.27405	2.5
537.24969	12.2
551.26550	6.6
552.27209	24.5
561.17181	1.6
561.25134	5.1
579.25903	11.6
580.26929	3.1
595.29022	9.2
621.27026	21.8
622.26263	2.0
639.28058	100.0
640.28351	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	639.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17191	0.7
55.05497	1.4
57.03433	1.2
61.02920	5.2
67.05503	7.0
69.03421	2.0
69.26163	0.7
73.02907	2.3
79.05480	2.5
80.43329	0.6
81.02980	0.9
81.03388	4.0
81.07042	2.9
83.04960	1.2
83.08601	1.3
85.02898	5.1
91.03959	2.1
91.05485	2.4
93.07052	1.8
95.08582	1.0
97.02883	4.0
101.02381	1.9
105.07021	1.2
107.08537	1.6
109.02895	0.9
109.10159	7.0
111.08050	0.6
117.07027	1.0
119.08561	1.6
127.03912	2.2
130.00697	0.7
135.08157	0.7
135.11678	1.0
145.04945	0.7
145.10136	1.5
163.03928	0.9
163.11183	1.7
173.11757	2.2
195.09969	0.9
206.47089	0.6
229.14322	1.0
243.08376	2.3
267.15829	1.1
413.17776	7.8
459.28137	0.8
467.18680	7.1
572.06891	0.8
639.29767	100.0
640.30310	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	640.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03934	0.7
53.78419	0.2
55.01867	1.3
57.02432	0.2
57.03417	0.3
61.02906	0.4
68.99801	0.4
69.03419	1.8
70.71578	0.4
71.04962	0.5
71.60960	0.2
77.03917	0.4
81.03404	2.1
85.00317	0.2
85.02905	4.3
87.00830	2.1
91.03921	0.3
95.04957	0.9
96.37112	0.2
97.02353	0.2
97.02897	1.6
99.04446	0.8
103.05457	37.6
104.05788	0.5
105.01886	1.2
105.04523	0.6
107.04951	0.3
108.14075	0.3
109.02872	1.5
111.04428	0.6
121.63992	0.2
125.05992	1.1
127.03911	2.7
129.01814	0.3
131.04913	100.0
132.05223	2.1
133.02831	0.3
137.05959	2.5
145.04979	1.3
145.06415	0.5
153.05453	1.4
159.02838	1.2
160.05156	0.3
163.07524	41.0
164.07877	1.0
175.07497	0.7
177.05475	0.6
177.09100	0.3
177.16447	0.3
191.07007	1.5
203.07014	3.6
204.07405	0.3
205.08594	0.5
221.08014	0.5
231.05013	0.4
233.08052	0.8
357.13147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.8
57.03424	0.6
69.03430	2.4
69.57911	1.8
73.02899	0.6
74.09369	0.4
77.03932	0.5
81.03406	1.9
85.02901	6.3
87.00815	1.6
95.04950	0.5
97.02892	2.9
99.04447	1.1
103.05462	26.1
105.01846	1.4
107.04993	0.8
109.02859	2.4
115.04713	0.5
127.03918	4.7
131.04919	100.0
132.05246	2.3
132.93025	0.5
135.48167	0.5
137.05005	0.5
137.05927	2.8
143.04930	0.5
145.04929	2.1
145.06483	1.1
149.05968	0.6
153.05429	1.5
159.02875	1.8
160.05196	0.8
161.41515	0.5
163.07530	55.4
164.07870	0.7
165.05383	0.5
175.07573	0.7
177.05556	1.0
177.09084	1.0
187.07407	0.8
191.07014	5.7
203.07019	11.0
205.08630	1.4
221.08087	2.0
231.04961	0.7
233.08081	3.1
339.12289	1.0
357.13254	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02671	0.3
51.02396	1.1
53.03025	0.3
53.03939	1.1
53.70193	0.4
55.01870	4.7
55.05514	0.4
57.03436	0.9
58.79945	0.4
59.04983	0.5
61.02913	0.9
65.03932	1.0
68.99796	0.5
69.03426	5.2
69.35420	1.0
69.35811	0.7
71.04984	1.7
72.75089	0.3
73.02917	0.7
77.03895	0.4
79.05479	0.8
81.03413	4.8
83.04966	2.0
85.02899	10.6
87.00826	4.4
89.03900	2.3
91.05469	1.7
93.03399	1.1
95.04951	1.2
97.02891	4.2
99.04440	2.9
101.06015	1.1
103.05460	36.2
104.05801	0.5
105.01865	2.5
107.04955	1.4
109.02886	3.3
111.04446	1.8
115.05458	0.6
117.01885	0.5
117.03362	2.1
117.07025	1.3
119.04929	2.2
122.03635	0.6
125.05969	2.1
127.03910	6.0
131.04916	100.0
132.05223	2.0
134.78050	0.4
135.04410	5.9
137.05966	14.5
143.04916	1.3
144.05630	0.5
145.02843	3.9
145.04967	1.9
145.06454	2.1
147.04393	9.6
149.05995	1.1
151.03888	1.4
151.07539	0.6
153.05458	7.3
157.06471	0.6
159.02866	1.7
159.04259	0.6
160.05177	1.4
160.28947	0.4
161.05948	1.0
163.03894	27.0
163.07526	50.2
164.04240	1.1
164.07880	0.7
165.05437	0.6
167.07072	1.0
169.06435	0.6
173.05956	0.4
175.07530	3.5
176.04619	0.9
177.05486	2.0
177.09128	1.6
179.06982	0.8
183.85506	0.4
187.07538	1.2
191.07011	6.9
197.05936	0.7
201.09070	1.6
203.07019	15.3
205.08598	3.0
209.08026	0.5
210.14923	0.6
215.06934	0.9
217.08443	0.6
221.08138	2.7
223.09575	1.6
229.08473	0.8
231.04860	0.5
233.08055	5.8
247.09700	0.6
251.09158	1.5
253.08714	0.4
255.02754	0.9
265.07034	1.0
277.08475	0.5
335.29700	0.4
337.05429	0.5
339.12064	0.9
357.13306	2.1
365.05063	0.5
369.13345	0.4
381.12958	0.5
417.15292	0.5
444.04575	0.5
624.39917	0.5
640.16425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.7
55.05501	6.4
57.03431	2.4
65.65158	1.6
67.05500	6.1
67.05851	1.6
69.27267	9.6
70.83033	1.6
73.08466	1.5
75.52932	1.6
79.05491	8.7
79.49345	1.8
81.07050	9.0
83.04971	7.4
91.05482	27.7
93.07042	9.3
95.04955	19.9
95.08604	5.3
97.06516	3.3
98.22622	2.7
101.06012	5.9
103.05490	2.0
104.10744	7.3
105.07026	37.1
107.04972	2.1
107.08591	4.7
108.87583	1.6
109.06532	4.9
111.08086	1.9
115.05476	8.3
116.06249	2.4
117.07017	46.9
118.07287	1.8
119.04926	4.2
119.08587	13.4
121.06521	5.2
121.10169	1.7
123.08112	1.8
128.06204	13.5
129.07004	35.1
130.07803	8.5
131.08556	25.9
133.06456	3.2
133.10121	12.0
135.08069	2.6
141.06975	2.5
142.07733	9.1
143.08568	31.3
145.06499	3.2
145.10112	53.5
147.07994	5.0
147.11708	5.2
147.13571	1.8
149.09723	2.6
153.06981	2.8
154.07741	1.9
155.06042	2.2
155.08519	21.6
156.09326	7.7
157.10110	19.0
158.07237	3.4
159.08052	4.8
159.11694	7.3
161.09607	10.5
161.13234	2.6
165.07002	3.4
169.10133	6.5
170.11006	2.3
171.08052	2.9
171.11659	12.8
173.09610	100.0
175.11186	10.2
180.09300	2.3
183.07953	2.2
183.11726	2.2
185.09700	2.0
185.13242	20.8
187.11185	3.6
189.12695	3.7
191.10675	7.3
195.11626	5.5
198.10342	2.8
203.14311	11.7
213.12752	25.5
231.13802	40.5
233.11685	7.0
244.17128	1.9
249.14914	2.1
291.15796	2.5
305.97958	5.0
322.19971	9.7
643.76135	1.8
655.73322	2.1
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
63.70274	0.7
70.01312	0.7
85.02898	0.8
90.70920	0.6
97.02882	0.9
141.01891	0.7
163.03929	1.3
165.09062	0.9
181.04875	1.0
205.12201	1.2
299.20050	1.3
300.34799	0.7
330.32806	0.7
393.22229	1.2
399.27075	0.8
414.67014	0.8
428.95041	1.0
641.18311	100.0
642.18561	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	641.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17730	0.1
55.02374	0.2
68.02586	0.2
69.82957	0.3
69.83306	0.4
97.99179	0.2
98.23349	0.2
103.23295	0.2
111.45243	0.2
152.85486	0.2
208.26030	0.2
232.46246	0.2
303.09869	100.0
304.10236	3.9
312.99411	0.1
321.11035	0.6
326.67535	0.1
329.00302	0.2
344.12582	1.1
361.10413	9.4
362.10794	0.5
393.96515	0.2
458.69174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39106	1.3
52.49469	1.2
61.02929	2.6
62.92276	1.2
65.03954	1.7
67.05496	7.7
69.03419	2.5
69.26529	4.0
69.26932	3.2
71.38575	1.3
73.00398	1.2
73.02911	2.4
79.05492	2.1
81.03418	3.6
81.07066	3.1
83.05006	1.5
85.02915	5.0
85.82778	1.4
91.03989	2.4
91.05482	3.7
93.07041	2.1
94.06567	7.3
95.08614	1.6
97.02895	3.8
99.04474	1.5
101.02400	2.7
103.99180	1.3
106.06579	1.4
107.04990	1.4
108.04470	2.4
108.08116	8.1
109.02853	1.4
109.10155	7.9
116.05013	3.5
119.08569	1.6
120.04462	9.0
122.06020	8.8
131.08620	1.6
134.06030	3.1
136.07564	20.2
144.04407	6.5
146.06010	6.5
152.07120	2.0
160.03941	3.5
162.05551	4.7
163.03995	1.5
164.07037	7.9
167.07224	1.9
167.72426	1.2
172.03917	22.3
172.07614	1.8
173.11703	1.9
174.05489	3.1
176.07147	2.4
176.45703	1.3
183.09288	1.5
186.09212	1.5
187.08632	1.6
190.04964	12.6
193.12323	1.7
196.09860	1.3
197.10817	4.2
199.08698	1.4
199.12329	4.6
203.05330	1.4
204.06548	32.7
204.08307	1.8
205.78087	1.3
207.02217	1.6
209.10812	1.6
210.09363	1.7
211.08684	5.2
212.09435	2.3
213.10217	2.8
221.10927	1.8
223.08777	2.3
224.09563	2.7
225.10179	13.6
225.11826	1.1
226.11050	1.6
227.11757	22.3
236.09441	1.8
237.10080	6.4
238.11049	3.0
239.11746	7.5
241.09840	3.1
241.13335	2.9
243.08391	1.3
243.11491	1.9
249.10335	5.2
251.11989	3.7
253.09685	9.6
255.11534	1.9
264.09012	2.7
265.09836	4.0
267.11221	8.6
269.12781	28.0
271.10751	26.9
277.09842	4.9
278.10687	1.6
279.11337	3.0
281.08862	1.4
283.10861	4.8
284.11731	3.9
285.12323	7.9
287.10632	3.7
287.13824	32.6
287.16812	1.8
293.09464	3.3
294.10141	2.9
295.10751	10.7
297.12430	10.6
299.20190	2.2
300.11584	1.4
301.12320	1.9
302.13037	2.3
313.12552	2.7
314.13058	4.4
315.14069	1.8
316.11053	2.0
316.14487	3.1
317.15103	1.6
323.10269	32.5
325.11981	4.3
326.16791	1.5
328.10864	3.4
328.14633	4.7
329.11667	3.4
329.15329	1.4
330.12424	2.9
330.16177	4.2
331.13278	1.4
331.16998	4.2
334.84409	1.5
341.11456	7.9
342.12360	10.1
342.15887	1.8
343.13281	4.4
344.14105	2.2
355.13208	5.0
356.13977	7.4
357.14828	2.7
358.15475	8.0
366.16504	1.4
369.15308	1.7
370.15582	4.9
371.16483	2.8
372.16919	1.9
378.18137	1.9
382.12213	5.9
383.12900	4.3
384.13358	5.6
385.14362	1.9
386.14899	3.3
386.19116	2.9
390.18063	3.0
394.15536	1.9
397.14655	2.7
398.14954	21.6
398.58066	1.3
399.15704	32.5
399.20633	1.9
400.16553	4.6
402.14212	2.4
404.16229	4.4
413.17746	7.0
414.18222	4.6
416.15997	15.5
417.16632	2.9
422.17343	1.7
428.16217	3.0
430.17569	2.8
440.16232	4.8
446.16980	10.4
458.17072	50.4
459.17499	3.9
469.20676	5.9
490.19745	11.5
563.23126	1.7
565.24231	6.7
567.22369	13.0
581.23981	4.4
591.22229	12.8
609.23389	87.3
610.23828	6.4
640.44440	3.0
641.31506	100.0
642.32178	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
55.01885	0.7
55.05512	0.8
57.03429	1.8
61.02921	3.3
67.05494	5.5
67.57027	0.7
69.03430	2.6
71.04991	0.7
73.02921	2.5
76.35669	0.6
79.05479	1.4
81.03424	3.0
81.07073	2.1
83.08613	1.3
85.02900	5.6
91.03961	2.4
91.05473	2.3
93.07076	1.2
95.04975	1.0
95.08598	0.9
97.02876	4.3
98.23530	1.2
101.02348	1.4
109.02898	0.9
109.10143	5.3
110.77626	0.6
111.04420	0.6
119.08589	2.1
121.10178	0.7
127.03962	1.2
129.07034	0.6
133.10104	1.1
136.05536	0.6
136.07626	1.0
144.74211	0.5
146.06146	0.7
147.11674	1.3
157.10089	0.7
172.03961	0.7
173.11783	1.8
175.11172	0.9
190.04994	0.8
193.12317	1.3
195.10123	1.0
204.06589	1.3
211.13452	1.2
225.10272	0.9
229.14362	0.7
243.08476	2.3
251.12508	1.7
260.42471	0.7
267.11072	0.8
269.12903	1.6
271.10803	1.8
285.12503	0.8
287.10703	0.7
287.14099	1.7
297.12802	0.7
323.10306	1.3
398.15085	0.7
399.15781	1.0
402.09595	0.6
413.17810	8.1
458.17114	1.7
469.20398	5.9
478.19580	1.1
518.19672	0.9
567.21985	1.0
591.22168	1.1
597.32483	0.9
609.23383	4.6
641.31421	100.0
642.31873	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	642.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01871	3.0
55.05492	0.9
57.03431	2.2
61.02922	1.3
68.99799	1.6
69.03426	9.7
69.78231	1.9
70.06627	1.7
71.04997	1.8
73.02902	1.7
81.03408	9.1
81.03750	0.7
85.02902	20.3
87.00823	7.7
91.05494	2.1
93.26642	0.8
94.04191	3.4
95.04923	0.9
97.02890	7.4
99.04444	2.9
103.05482	2.9
105.01845	5.0
107.04948	1.5
109.02871	6.4
115.03941	1.9
117.03350	1.1
119.04917	1.8
122.03649	6.6
127.03896	8.6
128.06255	2.5
128.78172	0.8
129.01859	1.2
129.07005	9.2
131.04915	7.4
135.04352	2.0
137.05966	100.0
138.06323	1.7
143.04913	1.4
145.02861	2.0
145.04955	4.0
145.06488	3.2
146.07343	1.1
147.04398	5.1
149.05962	5.3
151.03947	3.9
151.07573	4.4
153.05487	1.7
155.04906	1.4
157.06477	15.8
159.02907	3.6
160.05190	1.4
161.05989	3.1
163.03891	5.9
163.07564	7.6
172.05299	1.4
174.06778	5.9
175.07471	5.8
177.05489	3.4
177.09123	3.5
179.07045	3.4
185.05934	0.9
187.07547	9.0
189.09094	34.0
191.07036	3.3
191.08551	1.4
193.08522	1.2
199.07619	1.0
201.09035	1.0
202.07755	1.1
203.08589	3.6
205.08495	5.0
207.10121	1.9
217.08588	19.9
218.58653	1.0
219.02953	1.5
219.08051	3.8
219.10194	10.9
220.08734	1.5
231.05072	2.0
231.08058	6.2
232.08891	1.4
233.08051	1.2
235.09631	40.1
247.07613	3.1
248.08337	6.5
251.10646	2.5
259.07672	1.5
261.09100	1.5
263.10617	5.6
276.07803	3.4
277.08591	1.3
279.10123	6.3
283.15390	1.3
291.10141	19.0
292.10648	1.3
296.10529	1.4
307.09497	1.4
308.10464	2.1
309.11169	3.1
311.12698	12.5
323.08957	1.7
323.12753	28.7
325.14072	2.4
329.13733	8.4
335.12738	1.8
341.13831	27.6
342.14224	1.4
359.14984	1.6
365.13629	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51416	0.8
53.03936	1.1
55.01885	1.1
55.05503	5.5
57.03424	1.3
57.07058	0.8
58.23654	0.7
61.02921	3.0
67.05495	12.9
67.21152	0.8
69.07061	5.2
71.04986	0.9
71.38683	0.9
73.02921	1.2
79.05481	10.1
81.07052	13.7
83.08595	2.2
85.02885	2.4
85.06515	1.1
91.05467	15.8
93.07038	13.4
95.04958	2.9
95.08598	8.3
97.06512	1.9
97.10175	1.3
105.07018	14.9
107.04913	1.7
107.08603	6.9
109.06496	1.6
109.10134	3.6
117.07001	7.0
119.08566	11.2
121.06507	1.0
121.10109	4.4
125.09692	0.9
128.06198	1.4
129.06972	4.0
131.08559	13.8
133.06445	1.1
133.10123	6.6
135.08061	1.1
135.11659	1.7
141.06964	2.8
143.08504	5.4
145.10118	7.8
147.08026	1.6
147.11678	1.4
149.09605	1.7
155.08551	2.4
157.10100	4.5
159.08054	1.5
159.11676	2.7
167.08521	1.0
169.10120	2.4
171.11725	1.6
173.13235	1.9
181.10097	1.7
183.11710	2.3
185.13219	1.6
195.11603	1.7
197.13255	1.7
199.14798	1.3
211.14908	0.9
213.12836	1.2
213.16360	1.4
215.14366	1.4
227.14438	1.1
233.15454	1.0
285.12784	0.9
335.23712	1.0
343.26285	1.7
353.24640	5.6
371.25668	5.2
389.26929	5.2
427.27966	1.3
432.84232	0.9
445.29440	100.0
446.29810	5.5
463.30469	23.5
568.52942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.2
57.07061	6.4
64.52130	2.3
67.05501	20.6
69.03419	3.0
69.07060	6.2
70.06582	11.2
71.08612	2.5
71.30528	2.3
79.05497	16.2
81.07060	20.6
83.04979	4.4
83.08616	4.5
86.09719	2.3
88.07617	12.8
88.67300	2.0
91.05485	21.4
93.07021	16.1
95.04957	2.9
95.08588	15.3
97.06559	2.8
97.10173	3.7
102.09203	10.9
103.84182	2.2
104.10748	2.7
105.07005	22.4
105.07562	2.3
107.08580	7.9
109.10163	6.2
117.07021	10.6
119.08588	9.9
121.06506	4.2
121.10124	8.5
128.06226	2.9
129.06993	7.8
131.08554	21.5
133.10114	5.9
135.08040	2.4
143.08572	6.7
145.10074	12.3
147.07990	3.2
147.11697	3.0
149.02324	20.0
149.09583	3.3
157.10094	7.1
159.08032	3.3
171.11725	4.3
173.13268	3.1
181.10107	2.7
185.13264	2.8
187.14645	2.4
193.04965	28.2
195.11665	3.6
198.79463	2.4
209.13339	3.4
223.14734	3.0
284.29410	23.1
305.97928	5.0
341.06519	10.8
353.24820	7.9
359.07632	5.4
371.25665	6.2
385.09070	22.9
389.26825	7.2
427.28516	3.2
445.29468	100.0
446.29938	3.6
453.45877	2.6
463.30521	47.4
499.57715	2.4
642.26355	4.6
642.36237	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	643.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52258	0.3
51.79324	0.3
52.02433	0.2
53.03944	0.4
65.03940	1.2
65.27184	0.3
69.03422	0.9
71.04968	0.3
71.32192	0.3
75.16727	0.2
78.53085	0.2
78.85779	0.3
81.03407	3.7
82.61278	0.2
85.02893	1.0
89.03889	0.5
91.05473	9.3
97.02842	0.5
99.04458	0.3
106.10239	0.3
109.02863	0.7
115.47426	0.2
117.03331	0.3
119.04931	23.1
120.05245	0.5
127.03929	0.8
135.04416	2.5
137.02348	1.1
137.03337	0.3
143.03404	0.4
145.02831	0.8
147.04393	100.0
148.04764	1.6
149.02216	0.3
163.03906	2.5
165.05479	3.1
173.02330	0.9
177.05455	1.0
191.03354	2.9
200.45619	0.3
201.01714	0.4
207.02997	0.4
219.02859	41.5
220.03146	0.9
222.41617	0.3
223.14362	0.2
231.46455	0.2
257.04489	0.6
258.82590	0.3
285.03961	0.9
291.08575	4.2
303.04880	1.4
309.09644	3.2
317.06430	0.4
541.66217	0.3
545.12354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	0.7
67.05428	1.7
69.07010	0.9
79.05431	1.4
81.06953	2.2
91.05409	1.5
93.06975	1.2
95.04853	0.6
95.08536	1.1
97.06435	0.8
97.10066	0.7
98.22613	1.2
105.06940	1.6
117.06960	0.7
119.08471	0.7
133.09830	0.7
145.09923	0.9
145.28886	0.6
157.10056	0.8
170.88705	0.7
222.27725	0.8
291.19376	0.7
333.23972	0.7
341.10031	1.0
396.11960	1.2
397.12735	1.5
409.12955	1.3
410.13712	2.3
411.14587	5.5
412.15250	3.2
413.15973	2.1
423.14975	0.9
424.10864	1.2
424.15475	1.9
425.16266	9.2
426.16754	8.5
427.17261	2.1
428.18405	1.9
438.12057	3.0
439.13519	12.8
440.13116	1.2
440.19028	5.3
441.19278	31.3
442.19385	4.2
451.13586	0.9
452.14230	3.6
453.15167	15.7
454.15469	4.5
455.16351	0.8
463.13965	1.4
467.17224	23.5
468.17725	14.8
469.18686	12.3
470.18845	2.2
471.16376	1.0
479.16913	1.1
481.14728	12.6
482.15451	4.8
485.18271	1.4
495.16324	3.8
496.16968	21.9
497.17767	3.5
509.17917	1.8
512.20599	0.9
514.21643	2.1
523.19672	1.3
527.22528	1.6
528.19067	1.0
540.20129	0.8
542.21295	1.5
555.22357	20.8
556.22601	2.4
568.19415	1.1
583.21832	100.0
584.22113	12.6
587.24756	1.1
611.21478	2.7
614.23566	0.9
615.24524	8.2
643.23773	74.0
644.24115	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	643.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02837	0.5
53.59437	0.4
53.76926	0.4
57.72074	0.4
65.03913	1.2
67.05468	1.4
71.02543	0.6
79.05466	1.3
80.04985	1.1
82.06568	0.8
89.03869	1.6
91.05442	1.4
92.04970	0.8
93.05762	0.9
93.07033	2.8
94.06554	4.7
95.04961	0.6
95.07347	2.4
96.08112	5.6
106.06508	1.7
107.07303	1.0
108.04440	2.1
108.08108	9.7
110.06052	0.8
110.09670	8.1
116.04961	5.3
118.06512	0.9
120.04479	3.5
120.08102	6.5
122.05992	4.5
122.09633	1.0
124.07557	2.3
132.04401	0.7
134.05997	3.7
134.09573	0.4
136.07564	7.0
138.09106	8.2
144.03313	0.8
144.04420	11.0
144.08179	0.5
146.05988	5.5
148.07562	2.6
150.09131	2.6
152.07051	0.9
160.03935	2.4
162.05470	6.5
164.07039	1.9
166.08615	9.0
166.91965	0.5
172.03917	58.0
173.04259	1.5
174.05463	2.0
176.07040	2.5
178.04906	0.7
182.08273	1.1
182.09673	1.0
183.09090	0.7
184.09930	1.2
186.09244	0.8
190.04967	11.9
196.07594	0.6
196.09862	0.9
197.10632	2.3
198.07759	0.7
198.11423	0.7
199.08672	1.3
199.12239	2.4
204.06534	100.0
205.06822	2.0
209.10716	1.5
210.07600	0.6
210.09346	0.7
210.11523	0.5
211.08655	3.6
211.12318	0.8
212.09373	2.6
213.10199	1.7
222.11517	0.7
223.08557	1.2
223.12262	1.0
224.09372	2.8
225.10188	10.3
226.10971	1.5
227.11763	12.5
235.08597	0.6
236.09367	2.3
237.10222	3.7
238.10973	2.2
239.08176	0.7
239.11743	3.8
241.09756	1.6
241.13275	1.1
245.12947	0.7
249.10170	1.8
250.11079	0.6
251.08168	0.7
251.11781	2.9
252.08881	1.0
253.09656	5.9
253.13487	0.6
255.11363	1.1
257.12823	0.8
263.08130	1.5
263.11691	1.1
264.08893	3.0
265.09726	2.5
266.10593	0.5
267.11276	4.5
269.12778	8.1
271.10706	7.5
273.12332	4.1
277.09753	2.3
278.10519	0.8
279.11230	2.6
281.09497	0.7
281.12839	1.1
283.10706	6.2
284.11423	4.5
285.12317	8.4
286.13159	1.2
287.10681	0.9
287.13861	17.7
289.13226	0.5
293.09277	0.9
295.10754	1.9
297.12280	7.0
298.10919	0.7
299.14102	3.4
300.11450	1.0
302.12891	0.8
307.10733	1.1
309.12424	2.2
311.14240	0.9
312.14841	1.4
313.12625	1.1
314.12927	3.2
315.13638	2.0
316.10971	1.0
316.14407	2.3
318.16074	0.6
319.10611	0.7
321.08575	0.6
321.12415	0.8
323.10190	5.5
325.11765	8.5
326.12717	1.6
326.16434	1.3
327.13525	3.1
327.17151	0.9
328.10825	3.7
328.14438	2.7
329.11493	1.1
329.15103	2.3
330.12170	1.3
330.16043	2.5
331.16736	1.7
337.11838	1.1
338.13074	0.7
339.13437	2.1
340.14401	1.4
341.11798	2.1
341.15436	0.7
342.12369	7.9
342.16116	1.2
343.12955	4.2
343.16522	0.5
344.13852	1.6
344.17761	0.6
353.12778	0.8
354.12140	0.9
354.15961	1.4
355.13379	2.2
356.13876	5.7
357.14398	21.9
358.15488	3.5
366.16113	1.0
368.14182	0.8
370.11841	0.7
370.15567	4.2
371.16254	1.5
372.17401	0.9
376.16342	0.7
378.18265	1.4
380.14029	1.0
382.11816	4.9
383.12531	2.8
384.13165	4.0
385.14206	1.7
386.14395	2.3
386.18723	1.9
388.16837	1.0
390.18076	2.5
394.15442	1.0
397.14151	0.9
398.14920	16.1
399.15698	20.3
400.16418	2.4
402.18115	1.4
404.16092	4.0
412.16592	1.8
414.18213	3.2
416.15970	13.9
416.21271	1.0
417.16422	1.4
422.16721	1.5
428.15976	2.3
430.17630	2.3
440.15829	3.1
441.16711	0.7
446.17023	10.9
447.17599	0.8
456.15564	1.0
458.17068	29.3
459.17557	1.6
460.18616	0.8
474.16476	1.4
478.19876	1.5
490.19687	8.8
491.19647	0.7
492.79654	0.5
539.25745	0.6
565.24481	1.5
567.26062	3.3
569.23804	5.3
575.22455	0.8
583.25397	2.2
593.23779	8.4
611.24896	66.8
612.25134	7.8
625.26184	0.7
643.27167	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01867	0.6
62.14487	0.4
65.03922	1.2
67.05482	0.5
69.49383	2.1
74.19498	0.4
79.05499	1.2
80.05008	1.0
82.06558	1.2
89.03917	1.1
90.22106	0.5
91.05468	1.3
92.04990	0.8
92.33794	0.4
93.05763	1.0
93.07059	2.3
94.06556	5.2
95.04956	0.9
95.07346	2.3
96.08121	5.3
97.06512	0.5
98.23518	0.4
106.06528	1.3
107.07304	0.6
108.04470	2.7
108.08100	8.5
110.06052	0.5
110.09673	8.1
115.50253	0.4
116.04970	5.0
118.06547	0.7
120.04472	3.4
120.08099	7.2
121.06464	1.1
122.06022	4.3
123.06768	0.5
124.07603	3.0
129.71233	0.4
132.04431	0.5
134.05997	3.8
136.07574	8.1
138.09117	9.7
144.04431	10.5
145.05099	0.5
146.06004	5.3
148.07562	2.2
150.05455	0.8
152.07057	1.2
158.09615	0.8
160.03908	2.9
160.07605	0.5
162.05486	6.2
164.07053	1.5
166.08620	11.6
172.03915	50.3
172.07581	1.3
173.04225	1.2
174.05478	2.0
176.07098	3.4
178.04968	0.7
182.09645	0.8
183.09232	0.8
184.09877	0.9
185.10768	0.8
186.05469	0.5
186.09053	0.5
190.04980	9.9
195.09039	0.6
196.09895	1.0
197.07074	0.5
197.10733	1.9
198.11414	0.7
199.08664	0.9
199.12286	2.1
204.06541	100.0
205.06866	1.9
207.09218	0.7
208.10002	0.7
209.10725	1.4
210.09138	1.5
210.11353	0.6
211.08589	3.6
211.12234	0.8
212.09416	1.9
213.10173	1.2
214.10794	0.6
220.09860	0.5
222.11424	0.5
223.08661	0.8
223.12178	1.0
224.09377	1.3
225.10193	8.7
226.10968	1.6
227.08252	0.6
227.11746	13.5
228.12256	0.9
235.08640	0.7
236.09462	1.9
237.10114	3.6
238.10938	1.9
239.11821	3.3
240.08890	0.6
241.09647	1.3
241.13297	2.2
243.11353	0.6
249.10104	2.4
250.10927	0.9
251.08011	0.8
251.11801	2.7
252.08887	0.9
252.12361	0.5
253.09709	4.7
253.12213	0.6
253.13139	0.4
254.10202	0.6
255.11205	1.2
257.12869	0.7
259.14536	0.7
260.53128	0.4
261.10220	0.6
262.11029	0.6
263.08170	1.3
263.11740	0.9
264.08960	3.0
264.11734	0.4
265.09671	1.9
266.10321	0.7
267.11230	2.8
269.08862	0.7
269.09335	0.7
269.12820	11.8
270.09882	0.8
271.10712	7.8
273.12302	5.2
277.09702	2.0
279.11252	3.6
281.09271	0.8
281.12814	1.2
283.10678	5.3
284.11536	5.1
285.12238	6.4
286.13168	1.8
287.10660	1.0
287.13870	19.1
288.11542	0.6
289.13388	0.6
291.11096	0.6
293.09161	1.1
295.10846	1.6
297.12326	7.1
298.10626	0.6
299.13977	3.6
302.13040	0.9
304.14313	0.6
307.10745	1.1
309.12216	0.5
311.14011	1.6
312.14960	1.3
313.12921	2.1
314.12741	2.1
315.13654	1.6
316.10922	1.2
316.14438	1.9
317.15244	0.8
321.08685	0.5
323.10229	6.1
325.11758	10.1
326.12857	0.8
326.16455	1.2
327.13528	3.9
328.10858	1.3
328.14331	2.8
329.11392	0.9
329.14975	2.5
330.12384	0.8
330.15906	2.4
331.13156	0.9
331.16794	1.2
337.11624	0.6
339.13846	2.3
340.14575	0.9
341.11615	1.3
341.15475	0.6
342.12323	6.5
342.15952	0.7
343.13058	4.6
344.13821	1.8
352.14423	0.7
354.12109	0.7
354.16025	1.0
355.13129	1.5
355.16968	0.6
356.13895	6.2
357.14429	16.2
358.15292	4.0
365.11270	0.6
366.11945	0.5
367.13126	0.8
368.14075	0.6
369.11008	0.8
369.15408	1.0
370.11655	0.8
370.15466	5.5
371.16223	1.5
372.17026	1.3
372.96265	0.4
374.18469	0.8
378.18240	1.4
380.13797	1.2
382.11731	3.3
383.12454	2.0
384.13168	4.3
385.14102	2.1
386.14130	2.4
386.19058	3.1
387.15662	0.8
388.16663	0.9
390.18042	2.0
394.15430	1.0
395.13889	0.5
397.14676	0.8
398.14960	17.0
399.15741	24.1
400.16287	3.1
401.13226	0.7
402.18137	1.3
404.15979	5.2
412.16287	1.8
414.18375	3.6
416.15994	13.6
417.16553	0.9
422.16733	1.5
428.16046	1.8
430.17645	3.1
440.16086	4.0
441.14929	0.6
446.17053	13.3
447.17325	1.2
448.18561	1.0
458.17072	37.0
459.17328	2.0
460.18488	1.1
478.19751	1.5
488.18384	0.6
489.18918	0.5
490.12518	0.5
490.19690	9.7
520.20490	1.2
522.22101	1.0
562.76422	0.5
565.24304	1.8
567.26147	2.6
569.23883	7.2
575.22882	0.7
583.25159	2.6
593.23859	6.3
594.23938	0.6
611.24921	57.0
612.25256	4.4
643.27710	10.1
644.27808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17247	0.5
65.03944	1.9
67.05482	0.6
69.30778	2.7
79.05475	2.0
80.04995	0.8
81.05784	0.9
82.06579	1.4
89.03909	1.1
91.05470	1.2
92.04983	1.5
93.05751	1.3
93.07049	2.1
94.06557	6.2
95.04951	1.2
95.07362	2.7
95.45571	0.5
96.08115	7.9
97.06499	0.6
98.22735	1.1
105.05794	0.8
106.06551	2.1
108.04465	2.9
108.08102	12.9
110.06095	0.5
110.09665	10.3
116.04954	4.8
118.06522	1.0
120.04453	4.5
120.08079	8.8
122.06020	5.8
124.07568	9.2
132.04504	0.5
134.06009	4.3
136.07561	9.9
136.08603	0.6
138.05478	0.8
138.09119	11.7
144.04437	8.7
144.08099	1.0
146.05998	7.4
148.07547	4.0
150.05518	0.7
152.07088	2.1
160.03931	4.3
162.05478	4.8
164.07037	2.7
166.06448	0.6
166.08615	13.9
167.07338	0.7
168.08159	0.6
170.09705	0.6
172.03915	30.7
172.07564	1.1
174.05493	2.6
176.07048	4.1
178.04959	0.8
181.08842	0.9
182.08298	1.2
182.09723	1.0
184.09906	0.8
186.05492	0.7
187.08624	0.9
190.04956	22.8
195.09193	1.1
196.09877	1.2
197.10703	3.5
198.07858	0.6
199.08670	1.2
199.12257	2.7
204.06529	47.7
205.06969	1.1
207.09235	1.0
208.09775	0.8
209.10739	2.2
210.07611	1.0
210.09245	1.7
210.11461	1.1
211.08636	5.0
211.12039	1.1
212.07559	0.8
212.09344	3.5
213.10191	1.5
214.10928	0.6
221.10820	0.9
222.07660	0.8
223.08725	2.1
223.12260	1.6
224.09465	2.4
225.10176	14.5
226.11008	1.8
227.11745	18.6
235.08649	1.3
236.09331	2.7
237.10234	4.6
238.10992	2.2
239.08156	1.0
239.11742	4.8
241.09715	1.8
241.13339	1.9
245.12737	1.0
249.10147	3.1
250.10988	1.7
251.08263	2.0
251.11813	3.6
252.09021	1.6
253.09659	9.4
253.13371	0.9
255.11284	1.8
257.12967	1.0
261.10394	0.6
262.10864	0.6
263.08109	1.1
264.08887	4.3
265.09662	3.0
265.13315	1.3
266.10440	1.0
267.11264	4.0
268.08307	1.0
269.12805	21.1
271.10699	12.4
273.12283	6.4
275.11755	0.9
277.09686	2.7
278.10355	0.8
279.11285	4.8
281.09274	1.6
281.12857	1.6
283.10687	7.9
284.11462	5.4
285.12308	7.9
286.13101	2.1
287.13846	19.1
288.11292	0.7
288.14557	0.6
289.13327	1.2
291.11111	0.7
293.09167	0.9
294.10052	0.9
295.10852	2.3
297.12265	12.2
298.10645	1.0
299.10956	0.7
299.13947	5.8
300.11407	1.5
301.12787	0.7
302.12845	1.7
305.09525	0.7
307.10767	1.9
309.12677	0.8
311.14438	0.7
312.14920	1.9
313.12524	2.8
314.12878	3.7
315.13760	1.6
316.10931	1.2
316.14435	2.7
317.15436	0.8
321.12280	0.8
323.10214	7.4
324.10858	0.7
324.14789	0.6
325.11755	29.4
326.12579	1.8
326.16675	1.4
327.13513	4.4
327.17212	1.3
328.10840	4.9
328.14499	2.7
329.11639	0.9
329.15216	1.1
330.12262	1.4
330.16006	2.2
331.13275	0.8
331.16830	2.0
338.12802	0.8
339.13477	2.4
340.14655	1.3
341.11798	1.8
342.12308	10.5
342.15948	1.1
343.12952	8.4
343.16788	0.8
344.13885	1.8
344.17682	1.1
352.14517	0.9
353.12482	1.1
354.12274	2.7
354.16168	1.5
355.12802	2.7
355.17090	1.1
356.13879	8.3
356.17740	0.5
357.14444	10.0
358.15448	5.5
360.17273	0.6
365.11359	1.1
367.13263	1.4
369.10974	0.9
370.11661	1.3
370.15585	7.3
371.16373	1.7
372.12958	1.1
372.17044	1.8
373.14282	0.9
378.18082	2.2
380.13937	0.9
382.11752	6.0
383.12582	4.4
384.13083	6.2
384.17566	1.2
385.13956	2.7
386.14090	2.8
386.19177	3.4
388.16620	1.5
390.18011	3.7
391.18530	0.7
394.15356	0.9
396.16833	0.7
397.14835	0.8
398.14926	23.0
399.15714	32.0
400.16446	2.9
401.13495	1.5
402.18112	2.1
404.15970	7.3
412.16565	2.6
414.18088	5.4
416.16006	22.8
417.16486	1.8
422.16736	2.3
428.16064	3.2
430.17517	3.3
431.18326	0.7
440.15997	6.2
441.15994	0.7
446.17035	17.1
447.17529	1.3
448.18417	1.2
458.17038	43.7
459.17410	1.7
476.18274	1.1
478.19934	1.2
490.19626	9.6
491.20453	0.6
499.92749	0.6
549.24774	0.7
551.22931	0.8
565.24237	3.8
567.25940	3.3
569.23792	9.4
570.23846	0.9
583.25604	3.4
593.23938	12.0
593.33350	0.9
611.24890	100.0
612.25208	6.4
643.28333	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.4
62.48531	0.3
65.03919	2.1
67.05466	1.2
77.03902	0.4
79.05488	2.1
80.05005	1.6
81.05775	0.8
81.07011	0.5
82.06546	1.5
89.03899	1.7
91.05464	2.2
92.04967	1.3
93.03386	0.6
93.05769	1.6
93.07027	3.8
93.41829	0.3
93.65637	0.4
94.05990	0.6
94.06557	8.1
95.04934	1.3
95.07341	4.7
95.08563	0.4
96.07529	0.6
96.08120	10.8
97.06493	1.0
103.05428	1.2
105.04535	0.4
106.06531	2.9
107.07301	0.7
108.04469	4.9
108.08102	16.1
109.08884	0.4
110.05998	0.6
110.09666	15.4
116.04958	4.5
117.05740	0.7
118.06496	1.3
120.04453	7.0
120.05268	0.3
120.08089	12.9
121.06468	0.5
122.06022	7.9
123.06786	0.8
124.07577	11.4
132.04373	0.9
132.08049	0.5
134.05994	5.6
136.07555	15.1
138.05440	0.9
138.09120	17.8
144.03300	0.5
144.04430	8.1
144.08038	0.8
145.05365	0.4
146.04874	0.6
146.05986	8.6
148.07558	5.5
150.05499	0.4
150.09111	0.4
152.06087	0.3
152.07072	2.9
156.08113	0.3
157.08813	0.4
158.05939	0.4
158.09628	0.6
160.03925	5.2
160.07574	0.5
161.07184	0.4
162.05478	5.5
163.06242	0.4
164.07040	2.9
166.08615	23.8
167.07210	0.9
167.08876	0.5
168.08136	0.5
170.09641	0.8
172.03911	31.9
172.07452	1.7
173.04233	1.0
174.05486	3.1
174.09160	0.5
176.07024	5.1
178.04959	0.7
180.08006	0.5
181.04868	0.5
181.08861	0.5
182.08321	1.0
182.09637	1.6
183.09160	0.9
184.09895	0.9
184.11343	0.5
185.10699	0.5
186.05460	0.4
186.09113	0.9
187.08713	0.7
188.07121	0.5
190.04968	27.2
191.05318	0.6
191.06972	0.4
192.06522	0.8
192.08064	0.3
195.09184	1.0
196.07640	0.3
196.09894	0.9
197.07004	0.6
197.10707	3.1
198.07811	0.9
198.09346	0.5
198.11493	0.3
199.08627	1.2
199.12312	2.9
204.06532	60.2
205.06813	1.6
206.08231	0.4
207.09163	0.5
208.07704	0.3
208.09792	0.7
209.10704	2.5
210.07536	0.8
210.09122	2.3
210.11360	0.7
211.08600	5.5
211.12277	1.4
212.09314	4.0
213.10201	2.1
214.10939	0.5
215.11830	0.4
220.09991	0.6
221.10762	0.9
222.07628	0.4
223.08636	1.7
223.12198	1.7
224.09213	2.1
225.06697	0.5
225.10187	13.8
226.10815	1.9
227.11746	22.9
228.12219	0.7
229.13254	0.6
233.10764	0.6
234.11478	0.6
235.08551	1.8
236.09337	4.1
237.10201	6.3
238.07256	0.6
238.10930	2.7
239.08080	0.7
239.11754	6.1
240.12370	0.5
241.09723	1.8
241.13298	1.9
243.11194	0.8
245.12852	0.9
247.08476	0.4
248.09412	0.9
249.10167	4.6
250.10944	2.1
251.08134	1.4
251.11739	5.1
252.08934	1.4
252.12450	0.4
253.09691	9.7
253.13260	0.9
254.10228	0.7
255.11259	2.8
257.12839	1.1
261.10269	1.1
262.08575	0.6
262.11108	0.8
262.13510	0.4
263.08090	2.6
263.11707	2.2
264.08838	4.8
265.09689	3.2
265.13245	0.7
266.10391	1.7
267.11212	4.3
269.12805	28.6
270.09967	0.7
270.13177	1.4
271.10696	13.7
272.11011	1.0
273.09576	0.6
273.12329	8.9
277.09698	3.7
278.10437	1.2
279.08057	0.6
279.11230	6.3
281.09225	1.4
281.12827	1.7
282.09998	0.7
283.10693	8.6
284.11472	6.7
285.12296	8.8
286.13220	2.4
287.13861	26.7
288.14136	1.0
289.09695	0.8
289.13205	0.7
291.11096	1.6
293.09103	1.3
293.12613	0.6
294.09799	1.0
295.10730	2.8
296.11453	1.5
297.12305	13.9
298.10727	1.1
298.13541	0.5
299.13962	6.8
300.11621	0.8
300.14975	0.7
301.12555	0.8
302.12854	1.1
303.13782	0.5
305.09250	1.5
307.10736	2.4
308.11310	0.6
309.12433	0.8
310.13815	0.6
311.11108	1.0
311.14359	1.1
312.11966	0.9
312.15335	2.1
313.12531	3.2
314.12848	3.1
315.13702	2.5
316.10822	1.6
316.14441	3.1
317.15088	0.9
318.16016	0.4
319.10663	0.4
321.08817	0.6
321.12350	1.3
323.10196	10.7
323.13861	0.5
324.11472	0.7
324.15100	0.9
325.11755	36.0
326.13077	2.8
326.16022	2.4
327.13544	6.0
327.17294	1.0
328.10797	4.3
328.14453	3.9
329.11594	0.9
329.15341	1.9
330.12262	1.7
330.16003	3.1
331.13446	0.8
331.16766	2.8
332.13974	0.5
332.17416	0.4
335.10211	0.7
337.11838	1.1
338.13068	0.9
339.14151	2.2
340.10889	0.7
340.15076	1.5
341.11719	2.4
341.15640	0.7
342.12381	9.9
342.16049	2.1
343.12949	9.8
343.16205	0.6
344.13834	2.1
344.17606	0.9
346.19257	0.5
352.14709	1.5
353.12201	1.5
354.12021	1.9
354.16510	2.0
355.13031	3.4
356.13895	8.7
356.17679	0.5
357.14447	12.2
358.15424	6.3
359.15985	0.5
360.17212	0.7
365.11337	2.4
366.16074	1.2
367.13425	3.1
368.10004	0.8
368.14023	1.2
368.17676	0.8
369.11044	0.6
369.15579	1.7
370.11673	1.3
370.15628	7.6
371.16846	2.0
372.17346	1.6
374.14676	0.6
376.16690	0.7
378.18124	2.8
380.13846	1.9
381.14575	0.6
382.11761	6.3
383.12518	3.8
384.13153	6.8
384.17203	1.2
385.14056	3.3
386.14297	3.6
386.19336	3.7
387.15564	0.8
388.16458	1.4
390.18063	4.8
391.18597	0.3
394.15616	2.4
395.13907	1.1
396.17572	0.7
397.14993	2.2
398.10956	0.4
398.14935	25.4
399.15723	35.5
400.16458	4.5
401.13806	1.4
402.13620	0.5
402.18588	1.8
404.15933	8.7
405.16159	0.5
412.16580	3.1
413.15469	1.1
414.18256	4.9
415.17184	0.4
416.15961	24.8
417.16360	2.0
422.17087	3.2
423.12976	0.5
428.16074	4.8
430.17374	4.6
440.15970	8.8
441.14288	3.0
442.17258	0.5
446.17032	25.3
447.17368	2.0
448.18552	2.2
458.17047	67.3
459.17374	4.8
460.18515	1.8
461.17374	1.0
472.18747	1.3
473.17130	1.0
476.18008	1.0
478.19644	2.4
488.17990	0.6
490.19632	10.5
491.19986	0.9
520.20715	3.6
521.20544	0.5
522.22266	0.8
523.23212	0.9
525.24634	0.5
539.26611	0.9
541.24579	0.7
543.25397	0.4
547.24298	0.4
549.24780	0.6
551.22675	1.1
552.23114	0.6
554.20477	0.4
565.24475	3.4
567.25824	4.5
569.23828	13.0
570.24133	0.9
575.22748	1.4
583.25385	3.5
593.23865	13.1
594.23077	1.8
611.24915	100.0
612.25269	9.2
625.26404	0.5
626.24780	6.0
627.25012	0.4
643.27576	2.4
649.27643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01867	5.7
57.03429	4.0
61.02914	4.1
68.99776	2.4
69.03429	17.6
69.57870	2.0
73.02891	5.2
79.05471	2.6
81.03399	16.9
85.02895	34.5
86.99734	2.0
87.00829	17.6
91.05482	12.3
95.04948	4.7
97.02885	14.7
99.04444	6.1
102.14001	2.4
103.03961	4.3
103.05457	24.1
105.01867	7.9
105.07012	9.9
107.04953	14.5
109.02872	16.9
111.04398	4.9
115.05385	3.4
117.07023	4.0
119.04929	10.1
121.06462	3.5
122.03608	5.8
127.03915	15.4
129.07016	2.9
131.04921	30.1
133.02895	2.1
133.06470	12.4
135.08025	2.4
137.05966	100.0
143.04938	2.6
145.04926	5.7
145.06464	3.4
147.04404	5.9
149.05954	10.5
150.22878	2.3
151.03966	2.4
151.07518	21.9
155.14211	1.9
157.06503	2.8
159.02882	4.5
159.04321	3.4
161.05968	38.5
161.09601	6.9
162.06628	4.1
163.03851	2.6
163.07536	58.7
165.09129	5.9
169.30731	2.0
174.06792	3.5
175.07472	11.7
177.05478	6.3
177.09091	17.9
179.06998	4.7
181.08572	8.9
187.07469	4.1
189.03951	4.6
189.09111	21.7
190.71951	2.0
191.06989	22.0
195.08025	3.5
197.05890	3.2
201.09084	3.5
203.06978	14.1
207.08333	4.1
207.10158	46.6
215.06932	5.1
217.08563	3.4
219.10088	7.3
221.11661	3.3
223.07434	2.5
229.08575	8.0
231.05020	4.2
233.08131	6.3
237.08904	2.5
247.09665	2.7
249.11334	2.6
255.10277	3.5
257.08035	4.7
273.11185	5.2
275.09109	3.2
287.12781	8.0
293.10132	3.1
297.11221	4.7
311.12659	11.9
313.14404	8.3
325.14264	2.5
331.15359	40.6
343.15363	6.8
379.10242	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	644.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22187	4.3
55.05508	9.8
57.03440	9.0
65.90707	4.8
67.05508	12.3
69.03431	15.7
69.07063	37.5
71.04993	6.7
79.05489	24.3
81.03416	20.8
81.07067	13.1
83.04980	63.6
85.02889	5.8
89.03941	5.1
90.44345	4.8
91.05466	23.5
93.07039	17.8
95.04994	14.0
97.02890	5.5
97.06521	61.1
99.04451	16.8
105.07027	56.6
107.04987	6.2
107.08595	14.3
109.02872	6.1
109.06496	11.4
117.03362	6.4
117.07020	10.7
119.04964	8.4
119.08569	10.6
121.02859	46.9
121.06497	40.6
121.10137	5.9
122.03203	13.1
125.05982	100.0
127.03908	4.9
130.07770	6.5
131.08569	15.5
133.06517	12.3
133.10109	7.4
135.04419	13.0
137.05937	25.2
139.03891	8.2
141.06999	6.3
143.07018	80.9
143.08679	7.7
144.09334	5.9
145.02863	7.3
145.06502	13.7
145.10117	84.8
147.04391	22.1
147.11661	7.4
151.07576	13.9
158.07275	7.5
159.08018	6.7
159.11665	31.7
163.03911	54.9
163.11243	11.6
164.04262	6.6
169.10127	8.4
172.08777	6.3
173.09607	76.8
177.12785	13.1
187.11166	62.7
191.10692	23.7
205.12260	57.7
209.11653	12.2
215.10641	64.3
233.11743	54.1
238.59404	4.5
251.12772	20.7
285.16797	9.4
413.17908	32.4
419.07724	6.3
435.95804	5.0
571.37000	4.8
574.44720	5.1
612.25250	7.4
638.70032	4.9
645.31128	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72274	0.8
55.55035	0.8
56.15010	0.6
64.14904	0.8
67.28225	0.7
69.23211	3.7
95.51285	0.9
103.92373	0.7
175.83241	0.7
304.06946	2.0
305.11426	4.8
363.11984	100.0
364.12259	4.3
404.14835	2.5
439.72754	0.8
501.83331	0.9
608.42126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13342	2.8
69.45623	1.9
70.05542	6.9
77.68974	2.3
92.13415	2.5
103.51234	2.1
104.10740	5.3
104.95712	2.1
107.55148	2.1
174.01144	2.2
285.58401	2.2
298.98560	2.4
337.10464	100.0
338.10767	4.0
347.12531	47.9
347.16708	1.9
418.64423	2.7
422.24466	3.0
619.16046	2.5
627.20068	3.9
645.26068	65.2
645.44360	4.6
646.26569	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	645.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.4
67.05489	2.2
69.75333	2.0
69.75702	2.2
79.05487	4.3
81.07066	1.3
82.06548	2.1
86.54781	1.1
89.03880	1.4
91.05484	4.1
93.05757	1.5
93.07029	6.1
94.06575	12.6
95.04958	2.0
95.07341	8.2
95.08630	2.0
96.08125	16.9
106.06543	5.3
107.07343	1.7
108.04481	2.2
108.08111	22.3
110.09672	28.7
116.04954	1.5
118.06539	2.1
120.04433	5.2
120.08102	22.8
121.08878	1.2
122.06018	17.3
124.07574	18.0
132.08078	3.1
134.05984	4.4
134.09703	1.3
136.07564	51.8
138.05496	2.3
138.09132	41.0
144.04431	4.6
146.05980	13.4
148.07544	24.3
150.05478	1.4
150.09122	11.7
152.07054	30.1
152.08205	2.3
160.03969	2.8
160.07579	3.1
162.05486	3.4
162.09116	1.3
164.07063	12.6
165.07834	1.9
166.08629	67.9
167.09129	1.3
172.03922	30.1
172.07663	1.3
173.09550	1.5
174.05649	2.5
174.09158	3.4
176.07080	3.6
182.08148	4.2
184.09950	1.8
185.10724	1.2
190.04965	22.7
194.08040	2.1
196.09891	1.4
197.10799	2.4
198.11464	9.2
199.12321	2.5
200.06947	1.2
203.79314	1.1
204.04590	2.9
204.06538	61.2
205.06859	4.4
209.10701	3.1
210.09552	1.2
210.11478	7.7
211.12274	16.2
212.09361	2.5
212.13028	6.1
213.10178	1.7
213.13867	1.3
214.11142	1.3
218.08157	2.9
221.10715	2.4
222.11481	2.1
223.08809	1.8
223.12247	14.0
223.33731	1.3
224.09427	3.4
224.12965	2.6
225.10191	15.1
225.13837	3.7
226.10890	10.0
227.11742	10.8
228.12097	1.6
229.13318	4.4
235.08646	2.9
235.12222	3.5
236.09442	4.3
237.10208	18.3
237.13780	2.8
238.10985	18.2
239.11761	18.8
240.12387	2.6
241.07083	1.2
241.09673	2.3
241.13322	4.2
243.11292	1.2
246.07623	6.3
248.09464	1.9
249.10237	11.0
250.10928	8.4
251.07983	2.3
251.11778	26.2
252.08995	3.8
252.12462	8.7
253.09650	4.6
253.13341	12.6
254.10670	1.9
255.11288	6.9
256.12061	10.4
257.12833	3.9
261.10010	1.5
262.08484	1.4
262.10947	5.9
263.07925	2.8
263.11740	22.0
264.08722	7.6
264.12433	5.8
265.09686	14.7
265.13315	13.8
266.10522	12.4
266.13284	1.9
267.11237	32.2
268.11862	4.8
269.12811	14.7
270.13312	2.3
271.10828	3.6
271.14380	11.9
273.12338	8.8
276.12430	1.8
277.09769	3.5
277.13336	1.8
278.10458	6.3
279.11267	56.0
280.11948	11.4
281.12808	20.4
282.09882	3.1
282.13461	2.3
283.10779	11.5
283.13947	2.1
284.11499	22.0
285.12314	77.9
286.12668	3.7
287.13797	8.6
289.15302	4.7
291.11282	17.5
292.11920	4.9
293.09241	4.9
293.12802	22.0
294.09842	1.6
294.13623	2.2
295.10724	6.6
295.13931	2.5
296.11496	10.3
297.12311	94.3
298.12894	8.9
299.13870	13.5
304.14484	1.4
307.10699	4.8
309.12283	40.6
310.13058	10.0
311.10208	9.9
311.13882	5.7
312.11053	4.2
313.11661	3.9
313.15314	1.7
315.13721	1.3
316.14267	1.5
319.10706	16.6
320.11404	1.8
321.12317	26.0
323.10251	22.3
323.13641	1.8
324.10812	3.7
325.11761	34.7
326.12308	5.6
327.13358	22.5
328.14093	2.3
329.15088	1.8
330.16220	1.2
332.17773	1.4
337.11792	81.7
338.12146	5.5
339.13324	9.8
341.11221	4.0
341.15054	1.8
343.12848	5.1
344.13791	2.5
344.17538	1.6
346.19049	3.1
348.20560	1.9
355.12805	4.5
356.13834	2.7
357.14413	15.4
358.15204	4.5
359.16141	5.8
360.16815	2.0
362.18683	2.8
367.12918	3.1
369.14423	7.8
370.15546	2.6
371.15958	3.6
372.17029	2.4
373.13721	4.8
374.18729	2.5
376.20203	3.3
378.21915	1.6
385.13748	4.9
386.14392	2.5
386.18790	2.1
388.16132	2.5
390.18076	4.7
391.18436	1.5
392.19617	6.8
396.17081	1.4
399.15366	2.5
400.16220	4.6
401.16693	4.0
402.18332	7.9
403.18781	1.4
404.19833	9.6
406.17096	3.1
412.16418	3.4
414.18054	2.6
416.19641	3.7
417.16507	1.4
418.17218	5.3
420.19022	3.3
421.19693	2.0
422.20642	6.9
430.17587	21.0
431.18164	2.4
432.19159	14.2
434.20667	1.5
436.18503	3.1
442.17548	5.6
444.19058	4.5
446.21005	9.3
448.18597	59.7
449.19366	51.0
450.20200	42.7
458.16849	3.3
459.17627	3.2
460.18573	44.4
461.19086	4.4
462.20239	8.6
463.20898	1.7
472.18494	3.6
474.20160	11.9
476.18066	21.0
477.18875	17.0
478.19556	20.5
480.21024	3.6
490.19690	82.4
491.20383	21.8
492.21188	30.7
493.21780	7.2
522.22357	44.1
523.23035	17.2
524.23529	3.4
545.69116	1.4
567.25757	4.3
571.25287	3.3
585.26196	2.8
595.25421	25.0
596.24451	1.7
601.30865	2.8
613.26440	100.0
614.27014	7.9
645.29126	21.2
646.30194	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.291
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24152	8.8
75.79227	2.8
91.05486	5.3
93.07037	6.2
94.06566	9.2
95.07362	9.0
96.08135	17.5
106.06561	5.8
108.08132	23.0
110.09676	27.3
120.04441	4.1
120.08079	23.8
121.08880	3.2
122.06042	7.2
124.07620	9.1
134.05957	4.2
136.07570	42.7
138.09137	39.0
146.06070	9.2
146.87239	2.9
148.07561	21.1
150.09154	8.8
152.07068	27.7
160.07603	3.1
164.07040	9.8
166.08626	51.4
172.03920	25.5
174.08627	3.2
176.06969	3.4
190.04988	20.7
198.11533	6.2
200.36125	3.1
204.06540	33.0
209.10912	3.6
210.11517	9.5
211.12346	13.2
212.13185	5.3
223.12271	15.9
225.10260	17.6
225.13945	3.8
226.11011	11.5
227.11839	7.8
237.10265	27.7
237.13701	3.8
238.10953	18.0
239.11812	17.6
246.07651	3.4
249.10207	11.3
250.10956	6.5
251.11806	32.4
253.09708	6.7
253.13382	12.2
255.11279	3.9
256.12134	9.1
262.10977	7.3
263.11807	21.4
265.09744	17.1
265.13303	10.4
266.10483	8.5
267.11209	33.2
268.11758	6.2
269.12943	14.9
271.14487	9.7
273.12323	6.5
278.10641	5.5
279.11246	57.7
280.11923	4.6
281.12961	15.5
282.10013	6.4
283.10733	10.1
284.11478	18.7
285.12329	60.1
287.13873	6.6
291.11368	14.1
292.12073	4.8
293.09897	3.7
293.12704	21.0
295.10760	5.1
296.11511	9.8
297.08923	5.1
297.12320	83.0
298.13043	6.5
299.13864	11.6
307.10931	4.6
309.12332	25.1
310.13089	6.4
311.10315	9.7
312.11032	4.2
319.10739	11.5
321.12341	26.8
322.12726	3.4
323.10342	18.3
325.11752	34.2
327.13379	14.0
337.11758	61.6
338.12054	3.3
339.13492	7.0
341.11523	4.0
342.16357	5.5
346.19104	5.6
357.14642	10.6
359.16055	5.6
372.16464	4.0
378.40073	3.9
390.18088	6.3
392.19989	3.7
404.19470	9.4
418.17590	5.6
430.17349	20.1
432.19104	13.7
436.18640	5.1
446.20627	12.5
448.18652	56.3
449.19437	53.5
450.20203	31.7
460.18674	46.5
461.19308	7.1
462.19977	7.5
472.18845	4.5
474.20380	7.6
476.18033	25.3
477.19037	15.7
478.19855	19.9
480.20999	5.0
490.19635	86.3
491.20331	24.2
492.21320	30.2
522.22192	30.6
523.22717	12.9
567.25665	3.8
595.25604	20.0
613.26453	100.0
614.26306	6.7
645.28754	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	645.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49504	2.1
57.52278	2.3
64.05927	2.2
65.03938	2.2
67.05519	2.2
72.33484	2.1
79.05496	3.2
82.06565	2.1
85.62413	2.0
91.05476	3.7
93.07027	5.2
94.06558	12.1
95.04959	3.1
95.07341	8.7
96.08123	14.9
106.06565	5.8
107.07335	3.3
108.08108	29.0
110.09679	25.5
116.32119	2.0
120.04462	5.9
120.08099	20.4
122.06013	12.0
124.07578	15.9
134.06015	4.4
136.07562	32.9
138.09138	34.1
144.04436	6.1
146.06006	9.3
148.07545	25.8
150.09140	9.1
152.07043	25.2
160.07594	2.6
162.05476	4.0
163.03900	7.3
163.23235	2.3
164.07088	9.9
166.08620	58.7
172.03935	32.9
174.09201	3.6
176.07082	5.4
190.04948	20.6
197.10652	2.4
198.11555	5.8
199.12230	2.8
204.06548	38.5
208.09891	2.2
209.10712	2.8
210.11490	11.1
211.08649	2.9
211.12350	11.8
212.09261	2.7
212.13100	5.2
218.08128	4.7
221.10733	4.3
223.08716	3.0
223.12224	17.9
224.09320	3.2
225.10236	17.0
225.13840	4.2
226.10910	12.1
227.11731	8.6
235.12332	3.2
237.10153	22.7
238.11000	15.9
239.11743	19.0
241.13326	3.5
248.09273	2.5
249.10124	12.1
250.10942	10.1
251.11774	29.6
252.08798	2.8
252.12436	7.4
253.09726	3.5
253.13393	4.7
255.11269	4.6
256.12036	7.4
257.12866	3.5
262.10953	8.2
263.07852	2.3
263.11752	28.2
264.08743	5.8
264.12476	5.3
265.09872	14.3
265.13171	15.0
266.10458	12.4
266.13153	2.2
267.11224	33.9
268.11755	5.2
269.12790	10.3
271.10794	6.8
271.14371	12.0
273.12283	6.2
275.11691	2.8
277.09671	2.4
278.10501	5.4
279.08133	3.5
279.11240	51.3
280.11975	9.5
281.12692	19.3
282.09677	3.1
283.10693	11.9
283.14114	2.4
284.11548	18.7
285.12305	61.0
286.12689	4.2
287.13937	4.1
289.15436	5.4
291.11243	26.0
292.12027	5.1
293.12851	21.6
295.10779	6.1
296.11536	13.6
297.12308	75.1
298.12894	5.6
299.13876	10.2
307.10690	4.6
309.12289	36.2
310.13028	6.2
311.10233	10.5
311.13766	5.1
312.11176	3.3
313.11612	3.2
319.10648	14.1
321.12216	25.6
323.10284	18.1
323.13586	3.7
324.10858	5.2
325.11734	37.5
326.12317	4.2
327.13376	16.0
331.16766	2.5
337.11807	79.7
338.12244	5.2
339.13321	7.4
340.14148	3.1
341.11227	3.0
343.12823	6.7
346.19247	3.3
351.13354	2.7
355.13107	2.5
357.14462	14.1
358.14999	4.7
359.16086	4.2
369.14554	7.5
371.16132	3.5
373.13705	3.3
374.18622	2.8
376.20166	2.8
385.13974	5.1
390.18127	6.1
397.22989	5.0
400.16595	5.4
401.16974	3.6
402.18219	5.4
404.19745	6.4
406.17654	3.4
412.16306	2.9
416.19962	2.8
420.18875	2.9
422.20490	5.3
430.17578	13.1
431.17929	2.6
432.19092	8.2
436.18573	4.3
442.17303	5.1
444.18909	3.3
446.20618	9.3
448.18704	50.9
449.19403	47.6
450.20203	40.4
460.18658	41.8
461.19128	9.9
462.20142	7.7
463.20761	3.2
472.18607	4.6
474.20523	11.4
476.18256	16.2
477.18857	15.2
478.19748	19.0
480.20935	3.3
490.19739	96.0
491.20248	19.8
492.21207	26.9
493.21674	4.7
522.22217	20.8
523.22711	12.5
567.25507	3.4
571.25269	2.7
595.25336	22.1
601.29675	6.0
613.26501	100.0
614.26587	8.9
645.28882	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	645.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85685	1.6
63.58876	1.5
67.05503	2.1
69.17408	10.1
79.05493	4.7
80.05042	2.6
82.06589	3.8
91.05491	3.7
93.07060	6.3
94.06554	10.8
95.05025	1.5
95.07375	5.3
96.08127	16.7
98.23512	3.0
102.51391	1.5
103.05483	1.9
106.06597	6.4
107.07318	2.2
108.08102	24.0
110.09676	29.1
110.10438	1.7
116.05000	1.9
120.04514	3.2
120.08097	23.6
121.08920	2.0
122.06033	11.4
124.07609	12.7
132.08163	2.1
134.06039	4.2
136.07559	47.0
138.05580	2.3
138.09134	42.2
138.10150	2.5
140.40289	1.6
144.04491	4.3
146.05983	12.6
146.09695	3.2
148.07558	24.4
150.09132	7.5
152.07050	29.0
152.08174	1.9
160.03987	3.2
160.07596	3.7
162.05551	6.2
163.03955	2.4
164.07101	7.8
165.07806	2.8
166.08614	57.2
167.09146	1.6
172.03932	24.1
174.05455	1.7
174.09195	2.0
174.52411	1.6
176.07060	3.6
190.04956	19.7
197.10744	4.7
198.11409	7.8
199.12222	1.4
204.06540	36.2
204.08304	2.9
208.10045	1.6
209.10782	4.0
210.11469	12.1
211.12280	15.1
212.09482	4.1
212.12997	3.7
213.10207	3.6
213.13876	2.3
218.08142	4.2
222.11534	2.5
223.08809	2.0
223.12257	16.5
223.13976	1.5
224.09349	2.4
224.12970	2.4
225.10222	18.7
225.13899	5.6
226.10941	13.3
227.11859	7.7
229.13428	2.8
235.08705	1.8
235.12302	3.8
236.09509	2.3
237.10139	20.1
237.13942	2.1
238.10867	14.4
239.11758	16.6
241.09744	3.9
241.13321	3.3
242.10530	1.9
243.11339	1.8
246.07741	2.2
248.09387	2.0
249.10194	13.9
250.10931	10.5
251.08203	3.9
251.11746	28.9
252.08923	5.9
252.12512	7.7
253.09683	4.1
253.13377	10.9
255.11372	5.2
256.12003	7.5
257.13007	3.3
261.10141	2.0
262.10947	9.4
263.08441	2.8
263.11743	27.1
264.08990	6.9
264.12479	7.6
265.09766	13.5
265.13168	12.3
266.10516	14.5
266.13275	2.3
267.11255	34.3
268.11945	1.8
269.12808	12.5
271.10980	3.6
271.14450	15.4
273.12402	7.2
277.09659	3.8
277.13461	3.5
278.10611	6.6
279.11264	54.9
280.11981	12.2
281.12799	16.1
282.10342	1.9
282.13583	3.6
283.10733	9.3
283.13879	1.7
284.11478	19.6
285.12302	63.2
286.12766	2.2
287.14005	4.0
289.15454	3.7
291.11249	15.9
292.12003	4.0
293.09616	2.8
293.12723	16.8
295.10812	6.7
296.11517	6.8
297.12299	83.4
298.12961	6.6
299.13904	13.9
307.10831	1.9
309.12250	28.1
310.13092	7.0
311.10330	10.5
311.14023	4.2
312.11072	5.2
313.11917	4.4
316.14099	2.6
319.10757	10.8
321.12314	26.6
322.12897	2.7
323.10217	19.8
323.13736	2.7
324.11044	2.0
325.11826	34.5
326.12347	2.4
327.13373	16.2
328.14349	2.8
331.16794	1.8
332.17740	2.5
337.11777	72.0
338.12445	5.3
339.13480	9.0
341.11310	3.6
343.12903	3.1
348.20743	2.2
355.12851	2.6
357.14420	11.8
358.15402	2.7
359.16068	3.4
360.16891	3.4
367.12961	1.9
369.14545	4.5
370.15457	2.5
371.16025	3.5
373.14157	2.0
374.18802	2.9
376.20245	4.1
381.09875	1.9
385.13913	2.9
390.18109	3.7
392.19754	6.1
400.16525	3.2
402.18054	7.8
403.19064	2.1
404.19858	7.7
406.17587	2.0
412.16837	3.8
416.19708	4.9
418.17313	3.0
420.19086	3.8
422.20761	4.6
430.17551	21.5
431.17960	2.8
432.19101	11.9
433.20209	2.6
436.18466	3.1
442.17648	5.5
444.18988	2.8
446.20969	11.2
448.18582	64.1
449.19373	53.8
450.20169	46.5
460.18619	48.4
461.19321	4.9
462.20175	9.0
463.20728	2.0
472.18677	3.9
474.20331	9.9
476.18045	26.0
477.18765	22.0
478.19681	19.3
480.21524	2.6
490.19702	94.2
491.20282	23.2
492.21289	33.2
493.22037	7.9
522.22290	27.8
523.22919	16.4
524.23749	3.5
567.26190	3.7
571.25635	2.9
595.25415	19.6
613.26489	100.0
614.26788	10.3
645.29120	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	646.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01857	3.1
55.05493	6.3
55.39227	1.4
57.03428	4.3
61.02924	3.1
63.04595	1.6
65.03931	1.5
67.05498	7.1
69.03411	10.7
69.07050	3.6
71.04976	4.9
79.05479	11.2
81.03422	10.0
81.07039	11.9
83.04985	13.7
85.02898	15.1
85.06542	9.3
91.04939	2.7
91.05473	37.4
93.07033	20.4
95.04967	19.4
95.08604	11.3
97.02893	8.3
97.06519	10.4
99.04432	3.3
101.06019	2.9
103.05441	3.6
103.53633	1.7
105.07027	53.8
107.04949	3.6
107.08566	9.1
109.02864	8.0
109.06519	10.5
111.04431	1.5
113.05988	1.8
115.05455	5.8
116.06221	2.2
117.07013	32.0
119.04939	2.2
119.08572	19.8
121.06489	5.6
121.10130	4.6
123.08077	4.8
127.03897	15.0
128.06198	16.3
129.06993	27.8
130.07790	6.9
131.04910	1.6
131.08556	43.2
133.06490	10.8
133.10123	15.6
134.11971	1.7
135.04347	2.3
135.08038	4.1
137.09612	3.4
141.06969	3.7
142.07782	8.9
143.07414	2.8
143.08553	48.6
144.09230	2.7
145.06422	3.5
145.10110	100.0
147.08015	9.9
147.11655	7.1
149.09590	4.1
153.06931	2.9
154.07736	1.6
155.06052	2.2
155.08559	24.7
156.09305	5.9
157.10100	18.5
158.07219	2.6
159.08049	3.1
159.11671	15.6
161.09641	12.6
161.13206	7.5
163.03902	3.8
163.11113	9.8
165.07031	4.8
169.10133	5.1
170.10880	2.4
171.08052	4.6
171.11685	13.0
172.08745	1.7
173.04527	1.8
173.08167	3.5
173.09608	48.1
173.13281	5.4
175.11214	8.7
175.14822	5.3
180.09358	5.5
183.11674	5.9
185.13237	23.1
187.06009	5.9
187.11189	8.9
189.09195	1.7
189.12743	13.9
191.10666	25.3
191.14345	2.5
195.11670	11.7
197.13156	1.8
201.12750	11.6
203.14317	19.1
205.07109	2.2
205.12216	3.6
209.11740	1.9
213.12717	29.5
219.13788	12.7
221.15288	1.8
231.11491	3.5
231.13785	68.6
249.14832	34.6
249.17288	2.9
267.15903	1.9
310.35101	1.6
325.40393	1.6
393.19098	2.0
646.30402	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	647.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01868	0.6
57.03423	0.7
61.02914	1.3
66.04704	0.6
69.03427	3.7
69.28745	1.4
71.04987	0.4
78.90865	0.4
79.05483	1.5
81.03416	1.8
81.07050	1.0
85.02905	7.6
85.03410	0.4
91.03948	0.3
91.05450	1.4
94.04198	3.8
95.04982	0.6
97.02895	2.5
99.04443	0.8
103.05437	1.7
105.07034	4.3
107.04970	0.9
109.02862	0.7
109.06519	1.7
115.05466	2.0
122.03642	8.4
127.03902	1.2
128.06226	1.1
131.04944	0.9
133.06502	3.5
135.04437	0.4
137.05971	100.0
138.06325	1.6
139.05457	0.5
141.06950	0.5
143.06050	0.5
145.04933	0.4
146.03618	3.0
147.04486	0.4
149.05972	0.7
156.05641	0.5
159.08084	0.8
161.05972	33.4
162.06581	0.4
167.04929	0.4
168.05637	0.3
171.08020	1.1
175.07562	0.8
177.05473	0.5
178.07660	0.4
184.05173	1.5
187.07532	2.0
189.07002	0.5
189.55836	0.3
190.07857	0.4
191.08522	1.4
192.09288	0.9
194.49107	0.3
199.07527	10.4
202.07762	6.8
203.08536	11.6
204.09235	0.8
205.06442	0.6
215.08559	1.0
219.08047	3.9
220.08821	4.4
229.06425	0.5
230.07304	1.6
231.08031	18.7
232.08780	4.0
233.05849	0.4
233.09575	0.6
234.06754	0.4
235.07423	0.5
235.11139	1.4
237.09042	0.8
242.07022	0.4
243.08035	0.5
245.06136	0.4
245.09547	1.2
247.07535	2.7
248.08305	8.4
249.09039	1.5
251.10747	0.6
258.06815	2.1
259.07538	15.1
260.08276	9.5
261.08951	1.1
262.09903	1.0
263.10663	8.1
265.08621	1.2
273.08972	1.0
275.07028	1.6
276.07809	7.5
277.08554	2.9
280.10947	0.5
290.09454	0.4
291.10144	52.6
292.10733	4.4
293.08066	1.8
293.11362	0.7
295.09634	1.3
295.13184	1.4
308.10382	2.4
323.12762	41.6
324.13074	1.4
333.11310	0.5
335.12750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23781	0.9
70.92841	1.1
77.16515	0.7
103.80605	0.8
172.68134	0.9
172.73859	0.7
179.66837	0.7
297.61746	0.8
307.12827	1.6
335.12485	100.0
336.12860	3.8
353.13721	1.3
376.15240	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	647.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05161	0.4
55.58627	0.3
56.23033	0.4
62.44153	0.4
69.62993	0.9
69.63383	0.9
72.60226	0.3
77.94950	0.3
87.40623	0.4
95.96262	0.3
98.23414	0.8
169.06927	0.4
249.17030	0.4
305.11548	1.9
321.14587	18.9
322.14987	1.0
349.10425	100.0
350.10757	4.1
367.11554	0.6
390.13016	0.7
408.59784	0.4
601.98352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50641	1.7
58.50120	1.7
69.08334	13.0
86.72396	1.8
93.06991	1.9
96.30907	1.7
105.07028	2.5
113.04805	1.9
119.08622	2.5
168.83563	1.6
171.69678	1.8
190.30061	1.7
239.06769	22.2
268.01321	1.7
269.03992	1.8
339.12115	10.6
447.17773	100.0
448.18033	5.2
501.25616	2.2
573.14557	1.8
647.28125	34.5
648.28772	2.8
676.63007	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67233	0.4
70.67573	0.7
78.28889	0.4
81.37934	0.4
145.47139	0.4
190.84538	0.4
190.96170	0.4
193.16609	0.4
243.08463	0.8
259.07703	0.5
429.26059	1.7
467.27875	0.4
485.28802	1.6
547.35321	0.4
647.33954	100.0
648.34277	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	648.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01856	2.2
55.05505	5.0
67.05493	10.8
69.03425	2.4
69.07063	4.3
69.79543	2.5
69.80864	1.1
71.04969	2.9
76.90986	1.2
77.03891	1.7
77.77924	1.3
79.05479	10.3
81.03416	1.1
81.07040	15.8
83.04970	10.8
85.06540	3.2
85.10120	1.0
87.04460	2.6
89.06015	3.3
91.05475	31.3
91.71193	1.1
93.07035	13.4
95.04956	18.8
95.08599	6.6
97.06519	4.3
103.05458	2.4
105.04507	2.1
105.07022	55.1
107.04958	1.9
107.08595	7.5
109.06513	7.5
111.08068	1.4
115.05431	7.8
116.06205	3.5
117.07010	51.9
118.07488	1.5
119.04951	2.1
119.08559	15.3
120.92825	1.0
121.06475	5.5
121.10132	4.7
123.08051	2.9
128.06223	10.9
129.06993	30.9
130.07797	9.1
131.08554	38.9
133.06509	6.8
133.08611	2.8
133.10114	20.4
135.08023	2.0
135.11700	1.5
141.06956	3.7
142.07751	13.8
143.08546	32.2
144.09291	1.7
145.06461	4.9
145.10109	62.0
146.10484	2.1
147.08008	8.4
147.11676	9.2
149.09616	3.9
151.07552	1.4
153.07001	2.3
154.07742	3.1
154.78952	1.1
155.05989	1.4
155.08533	17.9
156.09309	6.1
157.10110	26.4
158.07245	2.2
159.08029	3.8
159.11673	11.9
161.09616	10.2
161.13231	5.0
163.11154	3.4
165.07004	2.2
165.12738	4.6
169.10075	5.5
170.10924	3.2
171.08052	4.9
171.11658	13.7
173.09605	100.0
173.13268	4.7
174.09975	2.9
175.11157	14.8
175.14819	3.2
177.09094	1.2
180.09300	3.2
183.11684	1.8
185.13239	30.7
187.11217	4.3
189.09064	1.4
189.12718	6.2
191.10658	22.4
195.11690	9.3
198.10402	1.7
201.12770	3.4
203.10670	1.5
203.14276	22.1
213.12735	25.7
219.13795	1.8
231.13779	52.4
232.14217	1.5
249.14783	7.3
305.24643	1.9
338.47324	1.3
355.22504	2.2
442.73441	1.1
485.58435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.21
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01444	1.1
56.02613	1.3
59.97408	1.1
62.17776	1.2
63.38502	1.2
78.24404	1.2
81.15965	1.2
84.04527	1.3
87.67589	1.3
102.82349	1.2
103.28728	1.4
103.56636	1.2
124.93967	1.2
151.73570	1.4
152.30469	1.2
155.80064	1.1
175.03700	4.2
202.05983	2.7
204.07578	6.3
219.06277	2.6
351.10342	2.1
393.11749	4.7
401.15717	23.8
402.16101	1.5
407.13147	3.4
452.40253	1.2
563.20813	11.4
578.50800	1.5
605.13995	1.1
605.21973	77.0
606.22675	5.4
649.20966	100.0
650.22089	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	649.21
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01444	1.1
56.02613	1.3
59.97408	1.1
62.17776	1.2
63.38502	1.2
78.24404	1.2
81.15965	1.2
84.04527	1.3
87.67589	1.3
102.82349	1.2
103.28728	1.4
103.56636	1.2
124.93967	1.2
151.73570	1.4
152.30469	1.2
155.80064	1.1
175.03700	4.2
202.05983	2.7
204.07578	6.3
219.06277	2.6
351.10342	2.1
393.11749	4.7
401.15717	23.8
402.16101	1.5
407.13147	3.4
452.40253	1.2
563.20813	11.4
578.50800	1.5
605.13995	1.1
605.21973	77.0
606.22675	5.4
649.20966	100.0
650.22089	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	649.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92776	0.6
60.96940	0.6
69.87121	2.2
79.01612	0.8
80.26026	0.6
91.05479	0.8
91.12363	0.5
91.66182	0.5
95.01101	1.6
98.23362	0.7
103.05508	0.6
113.02118	1.1
119.04932	0.7
131.04955	1.4
138.02925	1.3
138.99883	0.5
141.05243	1.2
147.04402	5.4
159.04240	2.2
181.04803	0.9
185.04260	2.3
185.05663	1.4
189.05330	0.9
199.05692	0.8
204.07603	4.0
227.05272	3.0
233.07872	0.8
237.13048	0.6
239.31210	0.6
243.04814	2.0
246.34497	0.6
271.04294	1.3
322.82178	0.8
337.12762	0.7
365.11993	0.9
366.12741	0.9
374.52017	0.6
379.13715	1.2
393.11536	1.4
401.15567	4.8
407.13174	1.8
408.13812	2.1
428.24026	0.6
429.15155	2.7
452.12958	5.4
545.19617	1.2
557.20258	0.8
563.20898	11.1
587.20990	1.4
601.18829	2.7
605.21997	66.1
606.22070	4.0
631.20294	2.8
649.20966	100.0
650.21210	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	649.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
86.46873	1.4
86.71016	1.5
121.87681	1.8
138.67429	1.9
196.81648	1.4
335.04813	2.6
335.08871	62.7
336.09363	4.8
337.14072	100.0
338.14258	4.1
378.16806	2.5
452.05328	2.0
455.28534	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52505	1.1
51.05047	1.0
55.05502	2.2
57.07059	1.4
62.32000	1.0
65.03918	1.3
67.05491	4.1
69.07053	4.5
78.46703	1.2
79.05511	1.7
81.07047	8.2
83.08601	5.6
84.16746	1.1
89.03896	6.3
89.06036	2.1
91.05479	5.1
91.99923	1.1
93.07008	7.2
95.08598	15.2
97.10149	1.3
105.07016	11.2
107.08579	12.4
109.10127	8.2
117.03362	19.5
117.37563	1.0
119.08573	18.8
121.06488	1.3
121.10126	10.7
123.11703	6.4
131.08559	4.3
133.08583	1.6
133.10121	13.8
134.03625	2.3
135.04451	1.7
135.11664	8.9
137.13225	1.5
143.08569	1.7
145.01677	2.4
145.02827	47.9
145.10120	6.3
147.11656	12.0
149.05968	8.4
149.13295	6.7
151.14760	1.7
159.11682	6.3
161.13251	6.6
163.03842	3.4
163.14806	3.6
171.11649	1.5
173.13225	4.5
175.14793	9.8
177.05447	100.0
177.16338	10.7
178.05783	1.9
187.14816	3.9
189.16360	18.9
191.17950	3.0
195.06509	32.6
195.11469	1.1
199.14857	1.3
201.16362	17.5
203.17931	21.2
207.17429	3.7
213.16328	5.3
215.17947	12.5
217.19495	2.1
227.17804	1.2
229.19478	3.2
235.16867	1.2
241.19604	1.7
243.21088	1.8
247.16867	3.8
249.18521	1.5
255.21118	2.1
259.16962	1.2
261.18472	3.1
284.10403	1.2
338.24356	1.4
391.33502	7.1
395.03485	1.2
407.93930	1.3
409.34485	7.2
411.32507	4.3
437.34119	20.8
455.35120	1.5
529.24445	1.6
634.55396	1.4
649.27985	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4093
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
55.05509	3.8
55.14403	0.5
57.07073	1.0
59.46738	0.5
63.14811	0.5
67.05497	3.6
69.07069	5.1
69.27769	1.3
69.28176	1.6
79.05475	2.5
81.07046	9.3
83.08608	5.1
88.33303	0.6
89.03910	7.0
89.06013	0.6
91.05434	4.2
93.07029	8.4
95.08593	15.9
96.26469	0.5
97.10151	1.4
99.94137	0.6
105.07014	10.6
107.08580	15.7
109.10137	6.5
117.03365	16.8
117.06950	0.7
119.08559	18.3
119.09413	0.9
121.10125	13.0
123.11691	7.8
129.74017	0.5
131.08566	3.3
131.96617	0.5
133.10110	13.1
134.03593	1.7
135.04393	2.6
135.11676	9.2
137.13210	1.5
143.08513	3.1
145.02827	47.8
145.10098	7.5
146.03165	1.2
147.11664	9.9
149.05956	8.2
149.13243	6.8
150.86986	0.6
153.09077	1.8
157.10066	1.9
159.11685	7.1
161.13254	5.8
163.03908	2.3
163.07562	1.1
163.14851	5.1
169.10135	0.8
171.11678	1.2
173.13254	3.5
175.14792	6.9
177.05447	100.0
177.16354	11.7
178.05809	1.2
179.10771	0.6
185.13185	1.1
186.05428	1.4
187.14761	3.3
189.16359	15.5
191.17940	4.5
195.06500	36.8
196.06964	0.9
197.13200	1.2
199.14854	2.0
201.16365	11.0
203.17918	22.1
205.15848	2.8
205.19501	0.9
207.17377	2.1
211.14793	0.6
213.16397	2.9
215.17921	13.8
217.15816	0.8
217.19466	1.6
219.17426	0.7
220.69868	0.7
225.16454	0.6
227.17868	1.0
229.19423	1.3
231.17451	1.0
233.15298	0.6
235.16797	2.1
241.19537	1.2
243.21124	1.5
247.16896	6.3
249.18462	1.9
253.19519	1.4
261.18469	8.7
267.20969	1.1
269.22690	1.5
295.24258	1.2
299.19992	1.0
301.21497	0.9
313.25165	0.8
355.26089	1.4
381.28040	0.9
391.33636	6.6
394.28632	0.7
409.34595	6.1
411.32446	6.8
437.34064	25.9
438.34442	1.0
443.54254	0.7
455.35150	0.7
479.14816	0.7
642.51764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.4
55.01871	11.9
55.05503	29.5
56.66830	1.9
57.03440	12.2
59.04996	2.1
61.02926	3.5
65.03934	3.5
67.05500	66.6
68.99796	2.6
69.03426	28.7
69.07060	13.9
71.04983	16.5
73.02907	3.2
78.70944	1.9
79.05488	65.3
81.03413	27.6
81.07051	58.6
83.04984	24.0
83.08605	15.9
85.02901	45.7
85.06544	4.9
87.00820	21.9
91.05473	63.6
93.07033	41.0
93.07595	2.5
95.04970	11.0
95.08596	34.2
97.02864	17.0
97.06529	22.8
97.10157	24.7
98.23504	5.6
99.04460	10.6
99.92686	2.1
103.69544	2.2
105.01837	11.1
105.04519	2.0
105.07022	47.4
107.04952	3.0
107.08591	49.0
109.02863	18.5
109.06536	6.1
109.10152	27.2
111.04388	2.6
111.08079	4.8
115.03949	2.6
115.05417	2.2
117.07010	22.4
119.08566	34.2
121.06532	3.0
121.10134	20.5
123.08069	5.8
123.11688	6.5
125.09618	17.4
127.03905	35.3
128.06229	3.4
129.01776	4.9
129.05467	2.8
129.06960	12.0
130.83287	2.0
131.08566	41.7
133.06511	3.4
133.10115	27.2
135.08081	4.5
135.11700	8.8
137.09599	4.7
141.07001	5.1
143.08554	8.7
145.04980	7.1
145.06242	2.0
145.10123	32.0
147.04469	2.1
147.11661	18.9
149.09602	4.5
149.13260	2.5
155.08551	5.6
155.10681	2.8
157.10136	9.8
159.02921	8.2
159.11691	19.8
161.09631	2.8
161.13255	8.4
169.10143	5.1
171.11682	13.2
173.09727	2.1
173.11766	10.3
173.13268	8.6
175.14938	2.4
177.12790	3.6
179.14307	5.1
183.11746	5.7
189.11220	16.8
197.13257	4.2
211.14847	2.6
227.12714	4.8
229.14279	28.7
229.19441	2.2
231.04974	5.9
239.17953	13.0
257.18961	23.1
259.20560	4.0
275.20099	35.0
277.15411	2.7
278.30258	2.3
293.21130	7.7
331.22836	3.5
337.23965	2.9
349.23712	63.1
350.24063	2.3
367.24768	100.0
368.25122	4.7
391.24265	2.3
431.20276	2.5
433.18024	3.0
451.19330	49.1
615.29407	2.8
651.28906	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	650.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01126	2.4
63.82374	0.8
64.83694	0.7
65.13993	0.7
71.43498	0.9
73.02902	2.7
73.04745	6.6
73.06541	1.7
73.48869	0.9
77.00594	21.9
79.02154	1.5
87.04444	3.8
89.06012	16.9
91.02126	0.8
91.05786	13.6
93.03677	1.1
95.01630	88.1
96.38847	0.9
99.02654	1.9
103.02128	1.8
105.07038	0.9
113.02650	3.7
114.07375	1.7
117.03692	1.6
117.07354	5.0
117.09126	1.1
118.03191	5.6
119.01605	4.8
121.03161	8.9
133.08600	3.9
145.06767	15.9
147.04701	100.0
148.04787	0.9
159.10149	1.3
161.09946	3.5
161.11787	0.9
162.05751	0.9
165.05765	17.7
165.07159	0.9
167.05540	1.0
169.03433	2.4
177.11137	1.1
184.07277	0.9
188.07352	1.6
189.09430	9.9
191.07320	31.4
205.12477	1.0
221.08398	1.7
233.12001	1.7
235.09949	8.9
239.09457	14.5
240.09863	0.9
265.11072	1.3
267.70657	0.7
277.14581	1.2
279.12518	3.0
318.82489	0.8
339.48221	0.9
411.20444	1.2
415.68878	0.9
453.25339	5.3
651.24054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.7
60.08157	5.3
67.05491	4.1
69.07054	2.6
70.61031	1.4
70.61369	1.4
71.04973	1.4
71.07375	3.1
74.11017	1.0
79.05481	4.3
81.07038	5.3
83.04967	4.3
83.08608	2.5
85.06541	1.3
86.09698	30.2
91.05480	14.4
93.07060	6.0
95.04980	6.8
95.08592	2.1
97.06505	1.2
97.10121	1.1
98.98468	4.1
103.05455	1.5
105.07021	19.3
106.84318	1.0
107.08592	3.7
109.06526	2.0
111.08067	1.2
115.05454	3.5
116.06241	1.2
117.07011	18.9
119.04895	1.0
119.08569	7.2
121.06517	1.4
121.10146	2.5
123.08033	1.1
124.99992	20.1
128.06215	6.1
129.06993	11.8
130.07773	3.9
131.08563	19.0
133.06464	2.0
133.10107	7.9
135.08046	1.3
141.07031	1.2
142.07764	4.6
143.08546	15.4
145.06508	2.9
145.10121	22.3
147.08041	3.1
149.09541	1.3
149.13246	1.4
155.08537	6.0
156.09319	1.6
157.10133	9.3
159.08072	1.8
159.11705	4.3
161.09671	5.0
161.13330	1.3
163.07619	1.5
165.06908	1.2
165.60423	1.0
167.14281	1.4
169.10110	2.3
171.08145	1.5
171.11626	5.5
173.09605	34.5
173.13261	2.0
175.11188	4.5
175.14998	1.4
177.09264	0.9
184.07324	100.0
185.13197	9.1
187.11252	1.6
189.12752	2.0
191.10696	5.1
195.11696	3.9
201.12643	1.3
203.14294	8.3
213.12735	9.9
230.18410	0.9
231.13785	21.1
237.60420	1.0
239.02312	1.2
249.14720	1.6
261.84943	1.1
409.78244	1.2
415.28070	1.3
489.68848	1.0
521.91351	1.5
599.56451	1.3
650.43671	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	650.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05008	0.9
59.71725	0.5
60.08164	7.4
71.07372	3.3
86.09697	33.2
98.98460	3.5
104.10737	2.1
124.99992	22.5
125.00943	0.7
146.12361	0.6
148.44548	0.5
158.19383	0.6
184.07327	100.0
185.07756	0.9
224.05598	0.5
238.56952	0.5
267.10345	0.6
342.91788	0.5
409.72794	0.5
650.43573	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	651.226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92145	1.2
67.93680	1.2
69.90060	1.1
70.02155	3.5
75.04486	2.0
83.81273	1.2
105.07040	1.3
111.79615	1.2
119.08588	1.2
145.02971	1.1
157.27881	1.3
163.03926	1.6
175.07553	3.1
210.68677	1.0
235.89883	1.3
243.04819	3.1
248.92366	1.2
271.13046	3.3
299.12595	1.4
317.08606	1.9
359.09637	1.9
377.10458	2.0
411.10797	1.3
426.12796	3.6
433.18481	2.0
439.06351	5.7
475.19394	4.9
503.65762	1.3
549.10077	7.0
559.08258	1.3
565.22546	5.1
591.10706	2.1
593.39941	1.6
607.23596	32.8
608.23901	2.1
619.10486	11.4
645.34204	1.2
651.13000	10.9
651.22418	100.0
652.22717	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	651.2809
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
54.48119	4.2
67.05506	3.4
71.43619	3.8
105.95239	3.4
400.16534	4.6
407.22400	4.9
407.27771	4.3
411.31998	4.1
414.18594	4.4
415.18900	10.5
428.19974	4.5
429.20981	9.4
444.18820	5.1
472.22614	7.5
473.19528	7.3
486.20346	4.1
489.22855	5.9
499.21121	9.2
517.22314	9.4
531.23456	10.4
559.23267	94.6
560.23535	10.6
587.23035	20.8
619.25409	100.0
620.25494	8.2
642.34833	4.8
651.27698	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	651.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.4
69.03430	0.5
74.76391	0.3
79.05512	0.4
81.03415	0.5
81.07068	0.4
85.02908	0.7
91.05478	0.8
93.07049	0.3
93.31236	0.3
94.64031	0.3
95.04975	0.4
95.08604	0.3
98.23533	0.6
100.15294	0.3
105.07022	0.8
112.89079	0.3
117.07034	0.4
119.08586	0.4
131.08557	0.5
145.10129	0.6
195.11710	0.3
203.05299	1.1
223.09424	1.9
253.12074	0.8
271.13031	1.0
289.14078	0.7
293.09799	0.3
325.93179	0.3
333.13156	0.4
351.14151	0.3
362.13354	0.5
415.53137	0.3
433.18219	6.3
434.18552	0.3
451.19370	100.0
452.19757	4.5
468.19919	0.3
573.09528	0.3
606.29199	0.3
651.30115	5.0
652.30756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56516	1.4
63.38363	1.7
83.74465	1.8
85.76569	1.6
87.25461	1.4
98.23473	2.2
98.36631	1.4
119.55330	1.3
182.82982	1.5
184.07310	4.1
213.09090	3.3
229.34972	2.0
302.56021	1.5
305.15250	3.9
320.13898	2.4
321.14609	10.5
353.17453	2.2
389.48370	1.5
619.52533	1.6
651.32831	100.0
652.33081	8.3
661.91852	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3349
Annotation	Strychnogucine C
Peak:m/z	Relative Intensity
57.03434	1.7
61.02925	3.3
62.03780	0.7
65.03843	0.9
66.19658	0.7
67.05492	5.0
69.03416	2.1
69.07054	1.4
69.53404	3.3
71.01328	0.7
73.02910	2.1
79.05488	3.0
81.03412	1.1
81.07036	3.2
83.08588	0.8
85.02909	2.9
88.50786	0.7
91.03958	1.8
91.05487	1.0
93.07018	4.3
95.04951	1.2
95.08599	1.2
97.02893	2.5
98.23360	1.6
101.02376	0.9
107.08593	2.4
109.02888	1.3
119.08604	0.7
120.11361	0.8
127.03915	1.3
135.11714	2.7
145.04961	0.8
149.13269	1.5
243.08382	2.0
350.32797	0.8
351.50769	0.9
439.19449	6.7
453.20956	6.7
573.28827	0.8
628.31836	1.3
651.33386	100.0
652.33661	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	651.375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58143	0.9
56.03208	1.0
57.99583	1.1
68.53783	1.1
69.07066	2.1
69.53951	4.1
69.54318	2.0
71.08619	2.5
86.09699	100.0
91.05468	8.4
99.08141	1.2
103.05462	4.0
105.03395	1.8
118.06532	24.3
119.04942	2.3
119.07327	5.9
120.08096	12.9
133.00983	1.0
136.07559	5.6
146.05991	64.7
158.69240	1.2
162.05518	2.7
163.03928	1.2
167.08528	1.4
174.12798	2.0
182.08098	2.2
184.16946	10.4
186.12793	2.2
188.14374	3.6
191.07001	1.0
195.08092	1.1
203.15457	2.9
212.16406	11.6
214.12268	3.4
223.07533	2.6
231.14868	14.1
236.10789	5.3
242.11734	1.7
245.41559	1.0
259.14395	54.2
265.08578	3.3
275.13919	7.0
282.11240	4.6
295.16556	4.5
299.13855	1.2
306.08054	1.1
321.14423	5.1
337.14066	17.8
357.21655	6.6
383.19510	1.6
395.19577	2.3
412.22067	2.5
431.48376	1.2
440.21777	13.3
442.30829	2.4
470.46347	1.0
532.89960	1.2
628.31116	2.4
651.21771	1.7
651.37531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.9
61.02892	1.7
67.05498	5.0
69.03436	3.7
69.07056	3.6
70.06551	1.5
71.42105	1.3
79.05492	9.6
79.65023	1.5
80.53504	1.7
81.07049	12.3
82.33720	1.4
85.02901	12.1
85.06528	2.3
91.05454	12.9
93.07041	15.2
95.04946	2.2
95.08596	15.2
95.76331	1.3
97.02892	4.5
99.04430	1.3
99.08074	4.8
103.05464	3.8
105.07021	30.3
107.08578	25.0
109.06516	2.7
109.10122	7.2
117.07030	2.4
119.08575	64.7
121.06499	35.3
121.10115	12.0
123.08035	2.8
123.11697	3.1
127.03917	4.1
129.07011	1.6
131.04968	7.3
131.08548	15.0
133.06467	3.6
133.10118	37.2
135.04414	4.0
135.08028	6.7
135.11713	14.2
137.05946	5.5
143.08534	6.3
145.02879	2.7
145.10132	21.1
147.04459	2.3
147.08026	10.9
147.11668	20.8
149.13264	2.3
153.67516	1.6
157.10062	8.3
158.10963	3.0
159.08080	2.6
159.11682	15.7
161.05995	1.7
161.09641	11.3
161.13245	45.0
163.03899	12.3
163.07584	1.8
163.14804	6.2
169.10097	1.7
171.11682	5.6
173.09630	3.8
173.13252	18.3
175.11192	4.1
175.14812	10.3
177.16336	2.5
179.14290	4.0
180.08675	5.1
183.11699	4.4
185.13242	9.1
187.11214	3.2
187.14803	100.0
188.15207	3.0
189.12724	17.4
189.16296	7.8
191.14290	14.6
191.17984	2.4
197.13199	3.8
199.11189	3.2
199.14836	6.1
201.12741	2.9
201.16357	21.4
202.16698	1.8
203.14355	9.4
203.17909	3.1
207.13834	3.1
211.14673	2.2
213.16399	3.3
215.14273	17.5
217.15866	8.8
221.15335	1.6
227.18054	2.0
229.15889	4.1
241.15886	1.6
263.17822	2.2
287.05237	1.9
303.21191	2.4
319.23898	2.5
321.21976	3.6
337.25134	3.3
349.25061	8.4
373.28925	9.0
391.29932	37.4
393.31339	3.7
409.30978	49.8
419.29263	5.7
427.13144	3.2
427.31973	7.9
437.30536	30.0
455.31442	12.0
608.22693	1.8
652.21533	16.2
653.21558	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00691	0.2
63.79365	0.2
65.03904	0.4
77.03886	0.6
78.04675	0.6
79.05450	0.6
81.03365	0.3
81.07037	0.3
89.03914	3.2
93.03339	0.3
95.04948	0.4
105.03351	0.8
106.04175	1.3
107.04942	1.5
109.02859	0.4
111.04371	0.7
117.03378	3.6
118.04086	0.3
121.02813	0.8
122.03598	0.9
123.04406	3.4
125.09530	0.3
133.02798	0.8
134.03621	9.5
135.04407	6.4
136.05106	0.3
137.02335	5.1
139.03929	1.5
145.02821	4.4
147.04430	1.6
149.02327	1.4
150.03098	3.4
152.04652	0.4
153.06956	0.4
154.02570	0.4
162.03151	1.6
163.03888	28.3
164.04146	0.8
165.06967	1.5
173.02275	1.5
175.03844	0.3
179.03374	2.8
180.04158	11.5
181.04828	0.7
181.06464	1.2
191.03406	3.0
192.05641	0.7
193.06487	0.7
194.07127	0.4
197.05936	0.5
209.06017	0.8
210.06816	0.6
211.07413	0.6
213.03247	0.2
213.05414	0.9
220.05112	0.6
221.05978	3.3
222.06708	0.5
223.07494	0.5
237.05386	2.5
238.06233	4.6
239.06955	2.4
241.04784	0.3
249.05432	3.2
255.06514	3.3
265.04944	5.1
266.05679	5.1
267.06491	26.9
268.07150	3.2
283.05972	26.6
284.06613	3.1
287.05341	0.5
293.01190	0.5
293.04395	4.9
294.05191	15.8
295.05908	4.6
299.05420	0.4
311.05481	7.3
312.06232	100.0
313.06583	3.8
330.07339	0.7
371.07584	1.1
445.08939	0.7
455.07553	3.0
463.11923	0.3
473.08646	7.8
474.09192	0.7
491.09634	5.8
491.16159	0.5
492.10461	50.6
493.10876	2.1
523.12445	0.3
627.39832	0.3
647.78619	0.3
653.12512	0.4
653.29352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.2
62.06078	1.2
70.02918	1.4
72.68137	1.0
76.59454	1.1
82.06588	12.0
84.04497	18.3
85.02886	1.2
88.03976	7.9
90.77402	1.0
100.07621	6.0
107.04955	3.6
110.06038	4.8
111.04446	3.2
121.01074	4.6
124.44570	1.0
126.05521	4.4
128.07074	23.2
130.05016	1.4
135.04427	3.8
139.03882	5.0
149.00528	6.2
153.07043	1.1
154.04982	8.0
156.06546	21.4
163.04010	1.9
165.00072	1.3
165.07027	1.3
172.06052	1.5
174.07616	11.2
181.04919	1.7
192.99591	4.7
193.06470	2.1
195.01099	100.0
196.01378	1.6
197.06047	1.3
200.05486	3.5
215.10249	5.7
221.05960	5.5
225.05490	2.8
239.07162	1.8
249.05490	7.3
251.07025	2.9
255.06569	2.5
261.10825	2.9
267.06458	6.2
271.05841	2.5
277.04929	2.5
279.06277	1.1
280.78479	1.1
282.04327	6.4
295.06021	9.6
297.11740	1.1
310.85809	1.0
313.06802	1.2
317.06512	1.4
323.05484	5.2
325.07016	1.1
341.06735	2.0
447.97241	1.2
448.82193	1.1
455.11359	3.6
473.12439	1.5
480.09311	4.4
592.09949	1.6
625.27277	1.2
653.16473	19.1
654.16302	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1705
Annotation	Ricinitin
Peak:m/z	Relative Intensity
51.91124	0.1
56.95652	0.1
68.99785	0.1
69.60453	0.5
81.03414	0.2
97.02881	0.2
109.02851	0.3
121.02843	0.2
123.04469	0.1
129.06993	0.1
137.02332	1.2
143.04865	0.1
149.02266	0.3
155.66615	0.1
157.06451	0.2
161.05949	0.2
175.03918	0.2
185.05966	0.4
189.05417	0.3
199.04027	0.1
199.54901	0.1
213.05396	1.1
216.04164	0.2
217.04854	0.1
231.06389	0.5
241.04909	0.7
242.05775	0.2
259.05951	0.2
269.04395	0.4
287.05450	100.0
288.05771	3.5
359.79108	0.1
449.10757	5.4
450.10925	0.4
491.11755	3.4
492.12140	0.2
653.16492	0.6
683.68762	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	653.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34492	0.2
74.88816	0.1
81.03419	0.2
98.23364	0.1
111.85873	0.1
121.02892	0.2
137.02338	1.2
143.04956	0.1
149.02289	0.4
157.06477	0.3
161.05913	0.3
165.01881	0.2
171.04501	0.2
175.03844	0.2
185.05952	0.4
189.05507	0.2
199.04013	0.2
213.05421	1.5
215.69333	0.1
231.06572	0.5
241.04947	0.9
259.05957	0.2
269.04407	0.4
287.05466	100.0
288.05801	3.4
423.31781	0.2
449.04654	0.3
449.10733	4.2
450.10718	0.2
491.11795	10.0
492.12033	0.4
653.16809	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01870	6.0
57.03411	2.3
60.32676	0.8
61.02914	3.0
68.99790	1.9
69.03423	15.0
69.41993	4.4
71.04984	2.4
73.02917	4.6
78.04691	1.0
79.05475	3.9
81.02958	1.7
81.03412	24.3
85.02896	42.7
85.03414	2.1
86.03249	1.0
87.00815	16.0
91.03941	0.8
91.05479	3.0
94.04176	1.5
95.04918	1.8
97.02881	21.1
98.23399	1.7
99.04450	8.3
103.05453	3.0
105.01856	13.4
105.07016	4.2
107.04957	8.1
107.09097	0.9
108.04458	3.7
109.02861	18.7
111.04369	1.4
111.09373	0.9
111.28657	0.8
115.05460	8.4
117.01839	2.6
117.07003	10.6
119.08572	2.2
122.03639	3.7
123.04372	2.8
124.05131	1.8
125.05879	1.2
125.39561	1.0
126.05538	2.1
127.03901	32.8
128.06203	2.1
129.01804	2.8
129.06982	7.1
131.04919	2.7
131.08546	2.0
132.05658	1.4
133.06468	4.3
135.04407	1.3
137.05960	66.7
138.06308	1.7
143.04926	5.8
144.05663	2.9
145.04945	13.9
145.06465	23.5
147.02835	1.3
147.04362	1.0
147.08034	3.3
149.05927	1.3
151.03896	3.1
151.07512	1.3
153.05464	1.9
155.05942	4.6
156.05670	2.5
157.06454	6.1
159.02888	10.9
159.08051	5.1
160.05170	11.9
161.05969	7.2
163.03874	4.6
163.07474	1.9
167.07024	44.5
172.05182	2.1
173.05969	33.3
174.06639	2.0
175.07524	100.0
176.07840	3.5
177.05423	2.9
184.05186	1.5
184.45955	0.8
185.05984	1.1
186.06543	0.9
187.07516	30.7
189.09084	5.8
190.06218	15.8
191.06979	3.4
191.08456	0.9
193.08594	16.2
198.06287	1.0
199.07538	3.2
201.09056	2.4
202.06235	3.3
203.06973	5.7
205.08580	77.1
205.87845	1.0
206.07240	1.2
206.09006	2.0
211.07654	1.0
213.03902	1.6
217.08563	31.0
218.07228	2.4
218.09070	1.6
219.08206	1.6
219.10097	5.6
221.09526	1.9
223.09631	1.8
230.06554	1.2
231.04932	5.9
231.08072	1.4
233.09535	2.9
234.06686	1.6
235.09616	41.4
236.07756	0.8
236.10052	1.0
239.06952	1.5
241.08524	3.4
246.06560	1.0
247.07428	1.3
247.09590	7.1
248.07832	2.1
249.09041	2.7
249.11296	1.2
257.08096	1.3
261.09235	5.0
263.07043	2.6
265.10687	31.8
266.08670	1.1
269.07941	2.4
277.08475	3.2
278.09384	2.1
281.11652	2.0
285.07626	4.8
289.08643	1.6
290.09402	1.1
293.08463	1.1
293.11615	4.5
294.08746	1.7
300.09903	10.5
301.10565	4.4
306.08780	2.4
307.09604	1.6
309.11166	4.2
313.10568	0.9
321.11209	8.3
322.11621	1.6
323.09131	1.5
326.11322	1.6
338.11569	1.3
339.12183	1.9
341.13785	11.8
344.09531	1.0
353.13800	19.3
355.15292	5.6
371.14853	36.1
372.15256	1.8
479.17966	1.1
624.20355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62117	0.7
65.03923	1.6
69.03424	1.2
69.42023	2.8
81.03413	6.1
85.02920	1.0
89.03936	0.8
91.05479	16.6
93.03407	1.0
95.04955	2.2
97.02866	0.8
101.94898	0.7
103.05423	0.8
105.03345	1.1
107.04950	1.7
109.02847	1.4
111.04438	1.9
117.03388	0.7
119.04932	27.1
123.04414	12.8
124.04755	2.8
125.02345	2.1
125.09626	1.1
127.38408	0.7
131.04895	1.5
132.02078	1.0
133.02837	1.4
134.03593	0.8
135.04454	4.4
137.02339	5.5
138.02658	2.3
139.03871	2.2
141.06960	4.1
145.02809	0.7
147.04401	25.3
148.04654	1.1
148.24908	0.7
149.02315	1.0
151.03778	0.7
157.03973	3.4
159.04375	1.0
160.05177	1.8
163.03886	6.1
164.04268	2.7
165.06958	2.4
166.07356	1.4
169.06488	4.0
170.06839	1.3
175.03902	48.0
176.04208	0.8
177.05267	0.7
178.07329	0.8
179.07071	1.2
181.04999	0.8
191.03427	0.9
192.03961	1.3
193.06506	2.2
194.06958	1.1
197.05975	3.6
198.06265	1.5
207.06512	100.0
208.06895	1.2
209.04448	1.6
212.07982	0.9
215.06995	2.2
221.06004	5.4
222.06393	3.3
222.39563	0.7
223.07481	2.2
223.13231	1.2
224.07776	1.5
225.05444	1.8
226.05795	1.2
233.05934	1.1
238.05705	0.9
238.33084	0.8
239.07014	3.3
240.07280	1.6
241.14253	1.5
243.06384	1.4
243.55927	0.7
249.05446	6.6
250.05830	5.5
251.06879	0.9
251.12755	1.2
252.07025	0.7
253.04900	2.2
254.05359	1.6
255.06395	1.2
267.06583	5.0
268.06915	5.9
269.04483	1.4
269.07593	1.3
270.04651	0.8
271.06018	8.1
272.06351	6.0
277.04834	4.1
278.05307	4.1
279.06180	1.1
281.04346	1.5
282.04819	1.6
285.07614	3.2
286.07758	3.5
295.06015	9.8
296.06320	8.2
305.04346	0.8
306.04642	1.0
313.07089	5.5
314.07422	5.9
322.03970	0.8
323.05396	4.5
324.05798	5.3
337.07336	1.0
342.06888	1.2
351.10733	5.6
353.08157	1.2
365.07678	1.0
369.11722	11.8
382.07968	1.1
384.08859	0.9
400.09229	1.8
401.09961	1.2
410.07690	1.6
411.08502	1.5
427.08063	2.2
428.08347	5.0
429.09308	3.0
430.09619	1.9
456.07837	1.4
457.08896	1.2
458.09354	0.9
474.08826	2.0
580.13379	1.0
608.12305	1.4
626.13947	2.5
654.13129	21.1
655.13318	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05505	29.8
57.03415	0.8
57.07060	3.1
59.04972	0.7
61.55527	0.6
65.72649	0.6
67.05499	9.6
69.07063	6.4
72.99328	0.6
79.05476	10.2
81.07048	17.4
83.04970	100.0
83.08618	1.9
84.05292	1.0
84.85828	0.7
85.06533	4.9
91.05468	17.3
93.07031	21.5
93.27805	0.7
95.04987	2.0
95.08595	21.5
95.69281	0.7
97.06529	1.1
99.08098	1.6
99.78400	0.7
101.05991	5.2
105.07021	26.2
107.04929	1.7
107.08579	14.0
109.06477	0.9
109.10143	8.7
111.08100	1.5
115.05429	1.6
116.06255	0.8
117.07008	12.6
119.08569	17.2
121.10126	22.4
123.08066	2.8
123.11703	1.0
125.09617	1.4
128.06273	0.9
129.06989	1.5
130.07771	2.9
131.08553	16.4
133.10112	17.3
135.11676	17.2
136.04732	0.7
143.08586	2.0
144.09349	0.8
145.10109	37.7
147.11691	4.6
149.09619	2.3
149.13252	1.4
155.66095	0.8
157.10106	1.5
159.11674	22.0
161.13242	8.6
163.11174	5.3
171.11713	1.0
173.13246	3.3
175.14845	1.7
177.12717	1.3
183.10141	25.7
186.14055	5.1
189.16353	6.4
191.17892	3.9
201.11200	2.4
201.16356	40.5
202.16690	1.1
207.17299	0.8
219.17410	22.1
237.18520	1.1
356.32932	0.8
435.45636	0.8
590.30914	0.8
643.06042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.7
54.43865	0.5
55.01871	0.5
56.02395	0.4
63.02379	0.6
65.03930	2.6
67.05490	0.6
69.31367	0.8
69.31751	1.1
71.46957	0.4
77.03925	0.6
79.05479	1.8
81.03408	1.1
89.03910	6.3
91.05447	2.0
93.03397	2.1
95.04944	1.8
98.68105	0.5
105.03405	1.3
105.04514	0.5
105.07038	0.5
107.04939	6.3
109.02922	0.5
110.06189	0.4
111.04431	9.7
117.03373	8.4
123.04414	17.5
127.03884	0.5
131.04935	0.6
133.02846	2.8
133.95720	0.4
134.03613	3.2
135.04402	23.3
137.02338	10.8
137.03418	1.1
139.03879	13.2
141.07022	0.5
145.02838	12.2
146.03653	0.6
147.04369	4.0
151.03853	1.3
160.05159	1.5
162.03087	1.0
162.47055	0.4
163.03883	100.0
164.04263	1.2
165.06996	2.4
173.02322	4.4
175.03922	1.5
176.06197	1.1
177.05533	1.0
177.06873	0.7
179.03394	1.7
180.04149	3.9
181.04953	7.3
181.06433	0.7
183.08025	0.5
187.03882	0.6
189.06941	1.0
191.03386	8.6
193.06458	2.3
194.07233	1.0
195.08058	0.7
197.06004	2.8
200.17406	0.4
204.05721	1.1
205.04794	0.5
205.06456	5.0
207.08026	0.6
209.05994	0.5
211.07553	2.0
213.05380	0.5
215.03380	1.0
217.06544	0.4
219.08112	0.4
221.05959	7.4
222.06711	2.9
223.07523	3.7
225.05438	1.3
227.06868	0.6
232.05243	0.5
233.04033	3.7
233.06114	2.0
235.07556	0.9
237.05417	1.8
239.06967	4.4
240.07683	0.7
242.05745	2.3
243.06557	2.3
245.05960	1.0
246.11203	0.4
247.07550	0.6
249.05429	6.2
250.06204	8.1
251.07007	8.3
253.04890	1.8
255.06549	2.5
257.08035	0.8
261.05411	0.8
263.06970	2.9
265.04953	1.4
266.05618	3.5
267.06485	10.9
268.07278	19.2
269.07950	1.7
273.05408	1.9
275.07175	0.9
277.04852	4.1
278.05713	5.6
279.06473	13.5
281.04404	1.0
282.05237	1.2
283.06006	1.0
285.07593	0.9
286.68585	0.4
291.06451	11.3
293.08044	0.5
295.05966	26.2
296.06741	9.2
297.07492	9.1
307.05994	0.7
313.06958	3.6
319.05957	12.6
320.06757	2.3
321.07608	1.2
325.07263	0.5
335.05573	1.2
336.06259	1.3
337.07019	5.1
347.05557	1.2
347.62527	0.5
353.07471	0.9
365.07965	1.1
371.07721	2.0
381.07495	2.4
383.09186	1.2
385.07053	0.5
393.07535	1.6
397.07040	0.5
399.08197	1.3
409.06992	1.5
411.08511	1.1
413.08691	3.6
421.06897	0.6
427.08133	6.7
429.09622	4.4
431.07510	2.0
439.07977	4.0
445.09103	0.8
447.10809	0.6
457.09149	12.5
458.09457	1.0
475.10300	3.5
499.10153	0.6
517.11267	10.7
533.10297	1.3
611.11475	1.9
625.13287	4.6
627.14355	0.8
637.13306	0.9
655.14282	4.7
663.87286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.7
54.43865	0.5
55.01871	0.5
56.02395	0.4
63.02379	0.6
65.03930	2.6
67.05490	0.6
69.31367	0.8
69.31751	1.1
71.46957	0.4
77.03925	0.6
79.05479	1.8
81.03408	1.1
89.03910	6.3
91.05447	2.0
93.03397	2.1
95.04944	1.8
98.68105	0.5
105.03405	1.3
105.04514	0.5
105.07038	0.5
107.04939	6.3
109.02922	0.5
110.06189	0.4
111.04431	9.7
117.03373	8.4
123.04414	17.5
127.03884	0.5
131.04935	0.6
133.02846	2.8
133.95720	0.4
134.03613	3.2
135.04402	23.3
137.02338	10.8
137.03418	1.1
139.03879	13.2
141.07022	0.5
145.02838	12.2
146.03653	0.6
147.04369	4.0
151.03853	1.3
160.05159	1.5
162.03087	1.0
162.47055	0.4
163.03883	100.0
164.04263	1.2
165.06996	2.4
173.02322	4.4
175.03922	1.5
176.06197	1.1
177.05533	1.0
177.06873	0.7
179.03394	1.7
180.04149	3.9
181.04953	7.3
181.06433	0.7
183.08025	0.5
187.03882	0.6
189.06941	1.0
191.03386	8.6
193.06458	2.3
194.07233	1.0
195.08058	0.7
197.06004	2.8
200.17406	0.4
204.05721	1.1
205.04794	0.5
205.06456	5.0
207.08026	0.6
209.05994	0.5
211.07553	2.0
213.05380	0.5
215.03380	1.0
217.06544	0.4
219.08112	0.4
221.05959	7.4
222.06711	2.9
223.07523	3.7
225.05438	1.3
227.06868	0.6
232.05243	0.5
233.04033	3.7
233.06114	2.0
235.07556	0.9
237.05417	1.8
239.06967	4.4
240.07683	0.7
242.05745	2.3
243.06557	2.3
245.05960	1.0
246.11203	0.4
247.07550	0.6
249.05429	6.2
250.06204	8.1
251.07007	8.3
253.04890	1.8
255.06549	2.5
257.08035	0.8
261.05411	0.8
263.06970	2.9
265.04953	1.4
266.05618	3.5
267.06485	10.9
268.07278	19.2
269.07950	1.7
273.05408	1.9
275.07175	0.9
277.04852	4.1
278.05713	5.6
279.06473	13.5
281.04404	1.0
282.05237	1.2
283.06006	1.0
285.07593	0.9
286.68585	0.4
291.06451	11.3
293.08044	0.5
295.05966	26.2
296.06741	9.2
297.07492	9.1
307.05994	0.7
313.06958	3.6
319.05957	12.6
320.06757	2.3
321.07608	1.2
325.07263	0.5
335.05573	1.2
336.06259	1.3
337.07019	5.1
347.05557	1.2
347.62527	0.5
353.07471	0.9
365.07965	1.1
371.07721	2.0
381.07495	2.4
383.09186	1.2
385.07053	0.5
393.07535	1.6
397.07040	0.5
399.08197	1.3
409.06992	1.5
411.08511	1.1
413.08691	3.6
421.06897	0.6
427.08133	6.7
429.09622	4.4
431.07510	2.0
439.07977	4.0
445.09103	0.8
447.10809	0.6
457.09149	12.5
458.09457	1.0
475.10300	3.5
499.10153	0.6
517.11267	10.7
533.10297	1.3
611.11475	1.9
625.13287	4.6
627.14355	0.8
637.13306	0.9
655.14282	4.7
663.87286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78194	0.9
56.96564	28.6
57.07056	1.1
71.43624	0.8
77.56278	0.9
84.96002	2.5
95.08611	0.8
98.97575	48.7
116.98615	42.7
128.98363	0.9
134.99649	28.1
140.00166	2.8
153.00720	3.2
158.01225	3.0
179.08647	1.1
189.06995	1.1
190.07745	14.4
203.08603	1.3
204.09338	1.5
205.08357	0.7
205.10089	20.4
210.64284	0.9
215.08540	2.3
218.07297	5.5
218.09113	1.0
233.09586	46.8
234.09944	1.9
246.06883	2.0
255.10207	1.4
261.09085	100.0
262.09393	4.1
269.04846	1.3
283.06625	1.1
287.06052	1.5
294.01788	1.4
295.06485	1.9
298.05237	5.4
299.05823	11.4
307.06378	3.4
312.02954	1.8
313.27411	4.6
316.06110	2.9
317.06876	3.3
323.05838	2.9
325.07471	10.6
335.05911	6.7
340.75058	1.2
341.06848	1.4
343.08551	3.3
348.03079	2.4
348.09000	1.1
349.03958	1.2
352.02356	2.0
353.06946	16.7
366.04126	4.4
367.04639	1.7
367.08594	2.4
371.07944	6.4
377.06891	45.6
378.06854	1.1
395.07990	97.8
396.08240	2.8
413.09122	6.8
418.09595	13.7
577.12946	2.0
577.21417	1.2
595.14130	4.9
613.15106	2.6
655.27277	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18056	0.4
56.04892	0.4
58.36034	0.5
78.86685	0.5
89.03946	0.7
91.85119	0.4
107.04942	0.6
117.03473	0.4
131.65584	0.4
133.10115	0.7
135.04445	1.1
145.02809	0.8
163.03876	3.9
180.86163	0.4
213.45647	0.4
285.50143	0.4
389.23227	0.6
407.24088	4.9
435.23691	0.7
449.25214	0.5
459.38132	0.5
495.25595	0.7
528.53839	0.5
537.26788	1.0
551.28314	1.1
569.29230	6.1
570.29877	0.8
593.29065	0.9
611.30304	43.6
612.30597	2.8
637.28308	2.8
655.29272	100.0
656.29700	7.5
683.94562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18056	0.4
56.04892	0.4
58.36034	0.5
78.86685	0.5
89.03946	0.7
91.85119	0.4
107.04942	0.6
117.03473	0.4
131.65584	0.4
133.10115	0.7
135.04445	1.1
145.02809	0.8
163.03876	3.9
180.86163	0.4
213.45647	0.4
285.50143	0.4
389.23227	0.6
407.24088	4.9
435.23691	0.7
449.25214	0.5
459.38132	0.5
495.25595	0.7
528.53839	0.5
537.26788	1.0
551.28314	1.1
569.29230	6.1
570.29877	0.8
593.29065	0.9
611.30304	43.6
612.30597	2.8
637.28308	2.8
655.29272	100.0
656.29700	7.5
683.94562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93310	0.3
55.01876	0.8
57.03431	0.4
69.03434	1.0
71.40962	0.3
73.02911	0.3
79.05499	1.3
81.03419	1.3
81.07013	0.3
85.02898	2.9
87.00827	1.1
88.72931	0.3
91.05427	1.4
95.04962	0.4
97.02895	1.1
99.04454	0.4
103.05456	0.8
104.06245	0.3
105.01874	0.5
105.07026	6.9
107.04958	1.1
107.08604	0.4
109.02879	1.1
109.06473	0.3
114.76575	0.3
115.05435	1.7
117.07008	2.5
118.04150	0.5
119.04943	0.4
121.06505	1.8
123.04406	0.7
123.08034	0.9
127.03929	1.3
128.06181	0.5
131.04922	1.0
131.08565	0.6
132.05756	0.4
133.06485	8.7
135.08035	0.7
137.05956	0.6
143.08566	0.9
145.04980	0.4
145.06487	0.9
147.04352	0.5
149.05963	0.5
151.07527	4.9
157.06427	0.4
159.02904	0.7
160.05203	0.7
161.05965	7.5
161.09587	0.5
162.06766	1.8
163.03899	0.5
163.07564	0.6
165.09048	0.3
167.07030	10.9
171.08058	0.9
173.06004	0.4
174.06821	0.3
175.07527	3.5
177.09094	100.0
178.06223	0.5
178.09451	2.1
181.04962	0.5
181.08569	1.6
189.09109	1.5
191.07004	1.6
193.08586	46.8
194.08881	1.3
195.10213	2.7
203.10651	1.4
207.08138	0.4
207.10101	0.4
209.38486	0.3
219.10153	0.8
221.11705	17.2
222.12045	0.6
225.09042	0.3
235.07388	0.3
263.07294	0.4
283.09485	0.4
285.11240	0.5
309.11203	0.9
317.13708	0.3
327.12216	0.3
329.13724	0.8
333.94824	0.3
341.13626	1.0
343.15396	0.6
361.16357	4.6
373.16470	2.2
375.17789	0.6
656.22852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73202	0.4
53.03934	1.1
55.01852	0.9
55.05495	1.9
65.03986	0.4
67.05489	2.1
69.03423	2.6
69.07066	4.1
71.04984	4.5
74.36127	0.4
79.05480	3.3
81.03415	3.6
81.07036	1.6
83.04974	11.8
85.02904	0.9
85.06536	1.8
89.03922	0.4
91.05466	6.1
93.07030	4.3
95.04964	3.0
95.08610	4.3
97.06526	14.2
99.04446	2.0
101.06020	0.5
103.05437	0.8
105.04559	0.5
105.07022	16.4
107.04945	1.2
107.08574	3.5
109.02876	1.2
109.06513	1.9
109.10153	5.0
112.00907	0.4
112.52823	0.5
115.05460	0.7
117.06985	2.0
118.07818	0.5
119.08604	3.5
119.09377	0.7
121.06501	5.9
121.10132	4.7
123.08058	1.1
125.05984	14.3
127.03930	0.8
129.06987	1.4
130.07784	0.8
131.08554	9.0
133.06485	1.6
133.10120	100.0
134.10432	1.8
135.04422	0.8
135.08049	1.3
137.05991	0.7
143.07027	14.1
143.08524	2.2
144.09337	1.5
145.06447	1.6
145.10112	16.2
146.10461	0.6
147.11670	1.6
149.09615	0.7
149.13199	1.0
151.07526	2.5
151.11171	0.6
155.08511	0.9
157.10028	0.7
158.07254	1.4
158.10905	2.8
159.08040	1.4
159.11684	5.4
163.03897	0.7
163.11177	3.2
169.10121	1.3
171.11745	0.7
172.08780	0.6
173.09634	11.2
173.13239	24.4
174.13646	1.2
177.12720	1.9
179.10602	1.2
180.69768	0.5
187.11179	10.2
191.10683	3.8
191.14297	26.3
192.14589	0.6
197.09641	0.6
205.12221	10.3
209.11789	1.4
215.10674	10.4
233.11691	10.4
251.12762	3.6
316.55954	0.5
335.25583	0.4
377.15613	0.5
395.17078	1.9
413.18048	6.2
441.33920	0.5
648.80969	0.5
656.31586	0.8
656.56848	0.5
657.30060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24909	3.2
59.57444	2.6
61.97711	2.9
68.53993	3.1
68.93710	2.7
69.06758	2.8
70.14227	8.8
72.54301	3.1
75.19656	3.0
78.08215	2.8
78.41490	3.0
85.97381	2.8
95.30373	2.7
149.02290	3.2
237.90552	3.5
319.07205	100.0
319.13089	11.9
377.07709	5.1
519.01697	3.2
628.14368	3.3
658.34851	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	657.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.1
71.42612	0.9
74.84953	0.9
79.05499	1.5
94.06559	4.0
96.08117	2.9
105.07022	1.0
106.06535	3.3
108.04485	2.0
110.45029	0.9
116.04963	2.0
120.04424	4.0
124.07583	6.4
128.56575	0.8
134.06020	7.3
138.05498	2.3
144.04451	3.4
144.07961	0.9
146.05991	4.0
148.07513	1.0
152.07057	17.3
160.03922	3.0
162.05449	2.4
163.03885	2.0
170.08363	1.3
172.03914	14.5
176.07016	1.2
180.06541	8.0
182.08356	1.1
182.64331	0.9
183.09267	1.2
184.09933	1.5
185.10773	1.0
188.03348	1.0
190.04962	11.6
196.09895	2.8
197.10768	3.7
199.12299	2.6
204.06544	16.6
209.10780	2.6
210.09328	1.8
210.11165	0.9
211.08667	3.1
211.12236	1.3
212.09479	2.2
213.10214	3.0
221.10674	1.2
222.07771	1.5
223.08560	1.3
224.09386	2.1
225.10191	11.6
226.10922	1.9
227.11774	12.6
233.10722	1.0
236.09393	2.5
237.10164	7.7
238.07646	0.9
238.10922	2.3
239.11766	6.2
241.09647	3.2
241.13338	1.0
243.11342	0.8
249.10316	2.6
251.08148	1.8
251.11911	1.1
252.08855	3.0
253.09692	7.3
261.09927	1.0
262.37549	0.8
263.08179	1.1
263.85760	0.8
264.08804	4.0
265.09653	7.9
266.10165	1.9
267.11185	5.7
269.12811	17.9
271.10757	14.6
277.09607	2.3
279.11285	1.2
283.10693	7.6
284.11438	1.6
285.12357	5.1
287.10229	11.5
287.13864	8.4
293.09164	3.6
294.09811	1.8
295.10730	2.5
296.11807	0.9
297.12286	4.4
300.11639	1.1
301.12506	1.4
302.12796	1.4
303.75333	0.9
311.10190	3.8
312.15030	1.3
313.11746	7.4
314.12613	3.1
315.13675	2.0
316.11023	0.9
316.14502	2.6
318.15863	1.2
323.10242	6.3
328.10712	3.7
328.14285	1.7
329.11435	2.5
329.15030	1.4
330.12344	1.9
330.15982	1.6
331.16727	1.7
339.09726	12.5
339.13559	1.3
340.10742	1.6
340.14594	0.9
341.11520	3.2
342.12289	7.4
342.15976	1.8
343.13147	4.1
344.13879	2.0
352.14554	1.7
354.16141	1.6
355.13055	1.4
356.13818	5.5
357.10727	4.9
357.14539	1.3
358.15494	4.8
365.11172	1.6
370.15649	4.2
371.12561	2.8
372.17438	1.2
378.18253	2.0
382.11740	2.2
383.11871	1.2
384.13425	3.4
386.14749	2.2
390.18048	2.8
394.15396	1.2
398.14935	12.4
399.15701	12.8
400.16617	1.9
404.15988	6.1
412.16229	1.5
414.17877	4.7
416.16003	16.4
417.16476	2.4
422.16824	3.1
428.15918	2.3
430.17731	1.5
440.16116	5.3
446.17062	11.8
458.16974	18.0
490.19418	2.0
509.22473	0.9
553.24463	1.6
559.34784	0.9
579.22485	1.6
581.23541	6.2
583.21790	13.0
584.21942	1.2
597.22839	3.3
607.21777	10.8
625.22864	100.0
626.23260	7.6
657.24792	2.3
657.35040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68169	1.9
60.22625	1.9
67.05483	2.5
75.32015	1.9
77.03934	2.2
79.05473	4.2
80.05019	2.2
81.03390	2.2
81.07056	4.5
89.03905	2.8
91.05475	4.2
92.04938	2.1
93.05740	2.1
94.06555	3.5
95.08529	1.8
97.07198	2.0
105.06982	3.3
106.06540	3.4
107.07336	13.3
108.04464	2.4
108.08112	73.2
109.58416	1.9
116.04980	15.3
117.55759	1.9
118.06551	2.5
120.04459	9.2
120.08070	4.4
121.08884	2.3
122.06030	8.5
122.09657	33.6
134.06030	4.5
135.06766	3.8
136.07523	4.1
137.05984	2.1
144.04442	21.5
146.06001	20.5
148.07597	5.5
150.09128	100.0
160.03917	4.1
162.05490	9.7
163.03915	5.7
172.03922	59.6
172.05334	4.1
174.05518	9.4
175.07471	2.5
175.90091	2.0
176.07053	6.3
190.04973	45.2
192.06546	2.6
195.09111	2.4
197.10745	3.6
198.07741	2.1
199.08678	2.1
204.06538	99.6
210.11565	2.4
211.08691	9.3
213.10318	13.1
223.08667	3.7
224.09447	2.4
225.10228	7.1
225.13901	2.0
227.08133	4.0
227.11929	3.0
235.08690	3.0
236.09456	3.2
237.10170	8.0
238.11049	3.3
239.08147	30.1
239.11740	2.9
240.12436	2.2
241.09697	2.9
249.10237	7.0
251.08105	6.7
251.11797	4.5
252.08945	6.7
253.09665	12.0
253.13292	4.4
255.07683	3.9
255.11174	7.4
257.09210	8.4
257.12701	5.4
263.11691	3.3
264.08972	3.5
265.09744	11.9
266.10519	4.1
267.11307	4.2
269.09250	4.3
269.12781	6.1
271.10657	6.5
273.12238	11.1
277.09622	2.4
278.10501	2.2
279.07660	4.7
279.11166	3.7
281.09192	14.2
281.12811	23.2
283.07111	6.0
283.11050	4.6
283.14404	11.7
287.14191	2.8
291.11060	2.5
294.09763	4.1
297.09076	2.9
299.06839	4.4
299.10257	25.5
300.11145	3.2
301.08176	5.3
309.12292	88.0
310.12817	5.0
311.10867	2.9
311.13980	18.2
312.11267	5.4
312.14954	4.8
313.08255	2.5
314.12936	5.8
315.09680	5.7
316.14432	5.1
317.11298	34.7
323.10159	7.2
325.08136	3.0
325.11911	3.1
327.10101	3.6
327.13397	20.1
328.10751	3.8
329.11658	5.8
330.12375	2.9
337.11911	2.4
338.12848	3.5
340.10794	4.3
340.82983	2.4
341.11313	4.5
341.12460	2.9
341.15146	16.0
342.12381	13.9
343.13086	6.0
344.13925	4.9
344.17853	2.5
354.12225	3.8
356.13684	12.6
358.15491	4.5
366.12424	3.0
368.10242	6.3
370.11847	8.8
372.17053	3.8
382.11816	5.6
383.12741	3.0
384.13431	24.0
385.14389	12.5
395.08682	3.2
396.13501	4.2
397.10135	3.0
398.14804	6.0
400.12424	2.6
400.16891	4.5
402.14389	9.0
410.11362	8.5
411.11993	6.3
414.14612	2.7
424.12787	4.5
426.14331	4.4
428.12497	15.0
429.13071	17.7
432.15247	4.7
442.13937	3.9
444.15445	12.4
446.13300	28.8
452.12704	3.6
470.13495	9.0
476.14120	18.3
488.14474	78.4
489.14688	3.3
520.16864	12.9
537.24542	2.4
553.24115	4.5
563.22644	5.9
579.22235	6.8
581.23773	29.7
583.21442	8.2
597.23102	7.1
607.21881	22.6
625.22845	97.3
626.23059	5.4
657.30829	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	658.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.38842	0.3
55.59360	0.3
57.03434	0.3
65.03938	2.2
67.52807	0.3
67.76065	0.3
69.03422	2.8
69.24587	0.4
69.24989	1.4
71.04967	0.5
75.36035	0.3
81.02957	0.5
81.03412	7.6
81.03896	0.5
85.02899	2.9
87.27314	0.3
95.04961	6.0
97.02880	6.4
99.04443	1.1
109.02864	3.5
111.04438	2.5
115.05438	0.4
121.02856	100.0
122.03202	0.9
127.03910	3.0
137.05968	6.0
139.03889	19.4
143.04912	0.5
145.04950	1.1
151.07605	0.4
157.06479	0.4
159.62964	0.3
160.05229	0.8
163.03906	0.5
169.61412	0.3
171.19867	0.3
172.03923	0.5
175.07538	4.3
181.15730	0.3
187.07558	1.4
187.36671	0.3
204.06505	0.4
205.08485	0.3
217.08540	0.3
235.09779	0.5
245.02916	0.3
261.92358	0.3
265.07034	12.5
283.08109	10.4
291.10233	0.5
323.12900	0.4
324.28012	0.3
341.13641	0.4
342.11948	0.3
430.70529	0.3
493.82840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09018	0.4
69.21535	1.3
69.21946	1.3
106.16552	0.5
108.25773	0.5
126.82120	0.4
157.85260	0.5
174.07874	0.4
186.59882	0.4
187.76488	0.4
220.24289	0.5
244.10881	0.5
249.93457	0.6
277.73102	0.5
304.61679	0.5
317.07834	75.3
318.08301	2.8
335.08862	0.5
358.10590	1.2
365.13577	100.0
366.13959	4.7
383.14691	1.5
396.14813	0.4
406.16290	1.3
661.80023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08907	3.0
69.09312	1.3
91.05439	0.6
135.08012	1.6
163.03886	1.2
229.12048	1.9
231.13530	4.9
247.12952	1.1
336.26428	0.6
407.09415	4.9
409.10904	1.7
488.07886	0.7
491.15640	0.9
521.72498	0.7
552.15704	0.6
560.61725	0.6
567.18463	0.9
597.23035	55.3
598.23718	4.1
612.65771	0.6
615.24097	100.0
616.24463	6.8
659.23059	40.1
660.23529	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2333
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
53.69942	1.1
53.75397	1.2
54.31963	1.3
69.30322	7.6
77.29867	1.4
98.22684	2.5
98.23337	3.5
135.08000	1.5
385.13165	2.5
386.14386	1.9
399.14206	5.2
400.15323	7.8
401.15564	5.1
408.12479	1.9
410.13974	2.0
411.15442	1.4
412.15536	2.5
413.15796	3.9
414.16620	6.3
415.16663	1.8
417.15900	1.6
421.12912	2.6
422.13586	6.9
423.14471	7.9
424.15231	4.0
425.16064	1.9
426.16531	2.6
428.18060	2.7
429.18515	2.5
430.19040	1.6
435.14578	4.5
436.15479	7.2
437.16159	14.1
438.16547	3.7
441.15405	2.5
442.16183	2.2
443.16476	2.3
450.16965	4.3
451.17609	4.8
452.18518	4.1
455.17477	1.8
456.17422	2.5
457.17801	2.9
464.14667	3.8
465.15201	4.5
466.16043	1.6
469.14667	1.8
470.19403	2.3
477.15250	2.2
478.16180	4.5
479.16989	4.0
480.18335	8.5
482.15277	4.7
483.16437	6.0
484.16507	8.1
493.19131	9.6
494.15558	2.4
494.19669	2.6
495.16537	6.4
496.17010	3.4
498.14584	2.2
506.15274	1.6
507.16605	3.1
508.17166	8.2
509.18277	8.2
510.14636	2.9
511.15195	2.3
511.20221	1.9
512.16248	20.0
513.16669	4.4
521.18341	11.3
522.15350	5.0
524.16663	1.7
539.18994	4.4
540.19543	12.5
543.22113	2.2
549.18414	1.8
553.20734	12.7
554.21045	2.7
571.21576	5.4
572.22119	19.4
573.21759	2.0
581.20258	51.8
582.20117	7.0
598.20386	1.9
599.20953	46.7
600.14575	1.3
600.21509	17.6
609.19305	2.1
613.22888	18.9
614.22870	1.9
622.22900	3.2
631.23883	3.3
641.22400	100.0
642.22705	12.2
644.20508	1.8
659.23230	30.9
660.23450	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	659.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34032	2.0
69.30150	10.0
77.93268	2.0
79.05479	3.4
80.04996	2.2
91.05479	4.3
93.07050	3.3
94.06547	10.7
95.04952	2.8
96.08118	5.4
98.22576	2.1
106.06557	9.3
108.08113	8.9
113.44007	2.0
120.04455	3.7
120.08113	3.9
121.08916	2.4
122.06031	6.7
122.09686	4.8
124.07587	9.0
129.60597	1.9
134.06007	18.8
136.07564	73.4
138.05511	4.9
138.09090	2.6
144.04469	3.3
146.05956	11.0
146.09662	2.9
148.07567	18.2
150.09167	6.5
152.07050	76.7
155.98480	1.9
160.03864	2.1
162.05472	3.8
164.07068	5.5
165.07852	4.0
166.08609	23.3
168.06627	5.4
169.23943	2.2
172.03888	15.6
174.05544	2.4
174.09232	3.2
180.06554	23.4
190.04980	14.3
195.09149	3.5
196.09906	2.4
197.10786	5.0
198.09309	2.7
198.11482	9.3
199.12241	3.2
203.51283	2.2
204.06551	37.0
205.06898	2.4
209.10719	6.8
210.11485	7.2
211.08789	2.3
211.12326	11.2
212.09346	3.3
212.13022	6.4
213.10263	4.0
215.11905	3.9
222.11476	3.2
223.08685	5.0
223.12257	15.3
224.12959	2.2
225.10175	19.4
225.13708	2.4
226.10898	10.2
227.11784	6.6
229.13365	3.1
231.93219	1.9
235.12273	4.9
236.09404	4.4
237.10164	27.0
237.13722	2.5
238.10956	21.3
239.07999	2.6
239.11755	20.8
241.09737	4.4
241.13350	4.0
242.35750	2.0
243.11197	12.2
247.12215	2.2
249.10179	11.9
250.10939	12.7
251.08070	4.4
251.11754	31.0
252.08978	5.8
252.12489	8.2
253.09688	5.8
253.13388	14.1
255.11087	5.9
256.12036	6.1
257.12766	3.9
262.11038	6.0
263.11765	21.1
264.08929	8.4
264.12589	7.9
265.09787	21.3
265.12933	12.7
266.10529	13.3
267.11267	37.9
268.11755	5.3
269.09317	3.0
269.12814	10.1
271.10919	4.8
271.14386	11.5
276.12521	2.6
277.09671	4.1
277.13120	3.0
278.10544	4.9
279.11270	47.7
279.14172	4.1
280.11914	7.0
281.09570	3.8
281.12845	17.4
283.10748	11.8
284.11526	18.1
285.12296	65.9
286.12836	4.2
287.10217	9.9
287.13885	7.3
289.15448	3.2
291.11371	14.4
292.11929	3.6
293.09210	8.4
293.12878	16.3
294.09915	2.8
295.10770	6.5
296.11505	9.7
297.08865	4.1
297.12277	74.5
298.12881	8.2
299.13824	5.2
301.11966	2.9
302.12845	4.5
303.13428	13.6
309.12231	32.6
310.12958	4.8
311.10190	10.3
311.13812	5.2
312.10797	5.3
313.11874	11.5
314.13202	2.5
315.13715	2.7
316.14261	4.9
318.16052	3.2
319.10757	16.9
321.12280	19.8
323.10214	16.5
325.11804	16.3
327.13406	13.7
328.14294	3.1
330.16003	3.7
332.17398	4.3
333.18237	2.2
337.08044	4.1
337.11740	58.4
338.12115	4.9
339.09659	10.1
339.13425	5.1
341.11349	5.4
342.15869	2.6
344.13898	4.1
346.15573	2.3
346.19138	9.3
356.13977	2.4
357.10779	6.2
357.14795	3.8
358.15308	3.2
360.16995	5.1
369.10233	2.4
369.14691	4.9
370.15433	5.0
371.12265	5.4
372.17160	4.6
373.14090	5.4
374.18567	7.4
376.16544	8.8
387.11636	3.0
388.16479	4.5
390.18027	5.4
392.19534	15.7
400.16602	4.4
402.18146	12.5
404.15897	7.6
412.16580	5.7
414.18082	3.3
416.19870	5.6
418.17514	8.1
420.19141	8.6
430.17648	15.3
433.20184	3.0
435.17688	3.5
438.26163	2.0
442.17719	4.7
446.16730	4.8
448.18643	27.1
450.16568	4.4
458.16949	4.8
460.18689	24.7
461.19373	8.6
462.16470	6.3
463.11145	3.6
463.17297	50.0
464.18021	45.2
465.18280	3.3
476.18176	17.7
477.18875	3.3
488.18118	10.5
490.16107	20.7
491.16748	22.0
492.17380	22.6
493.22012	6.9
504.17612	100.0
505.18121	22.3
506.19150	26.6
536.20166	41.0
537.21228	10.1
538.21375	3.1
543.66876	2.4
581.23450	5.0
583.25275	3.4
585.23224	3.4
599.24640	6.1
609.23273	24.1
610.23615	3.4
615.32507	2.9
627.24390	88.8
628.24609	8.0
641.25360	11.7
659.26672	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	659.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05470	0.6
69.03408	1.0
69.24960	3.3
76.93568	0.6
79.05482	1.5
81.03365	1.1
81.07004	0.7
82.06590	0.6
82.61481	0.5
85.02882	1.2
86.77298	0.5
87.00764	0.7
89.03896	1.2
93.07040	1.3
94.06557	3.1
95.04941	0.8
95.07337	1.6
96.08122	4.1
97.02901	0.9
105.01872	0.8
106.06544	1.1
108.04459	0.7
108.08127	3.7
109.02814	0.6
110.09671	6.0
116.04959	3.3
120.04457	1.1
120.08115	3.8
122.06036	6.1
124.07587	5.9
130.06522	0.8
134.06013	0.8
136.07562	7.0
137.08360	0.8
138.09125	7.2
143.08493	0.7
144.04414	5.8
146.05968	1.7
147.04382	1.1
148.07597	1.3
150.05443	1.7
152.07045	1.1
155.08498	1.0
157.08817	0.8
157.09956	0.7
160.03949	2.7
160.07599	0.6
162.05437	3.1
163.03879	1.0
164.07036	0.8
165.07880	0.7
166.08612	12.8
170.09654	3.7
172.03925	30.9
172.07541	0.9
172.09880	1.1
172.11177	1.9
174.05310	0.6
176.35466	0.6
183.06697	0.8
184.07555	0.7
186.09085	0.9
186.11237	0.5
187.12277	4.9
190.04994	6.7
195.39638	0.6
197.10709	1.0
198.09126	21.8
199.09431	0.7
199.12210	0.7
200.09344	2.4
200.10866	1.4
201.10207	0.7
201.13872	1.0
204.06544	43.7
205.06932	0.9
205.68542	0.6
212.10841	4.3
214.22360	0.9
215.11783	19.7
225.10132	2.9
226.08621	5.4
227.08194	1.4
227.11748	2.5
228.08812	1.2
229.09735	0.8
229.13364	0.7
231.11235	1.0
237.10118	1.1
239.11813	0.7
240.10190	2.6
241.09718	2.2
241.13481	1.1
242.10533	2.0
243.11263	98.5
243.60332	0.6
244.11565	4.3
253.09842	0.9
255.11270	7.0
256.11804	0.8
257.12836	5.1
267.11218	0.9
269.09067	0.7
279.11331	0.9
285.12302	100.0
286.12729	4.1
297.12527	1.3
298.13040	0.7
301.11877	5.6
302.12503	1.8
303.13358	89.5
304.13718	4.3
325.11774	9.9
343.12955	1.1
357.14429	3.4
358.15244	2.0
418.17712	1.5
430.17746	1.0
456.15649	0.7
462.16498	2.4
470.17282	1.8
474.16617	2.9
476.18152	2.5
488.17978	1.0
494.19348	1.1
518.19611	0.7
583.25287	2.7
599.24786	1.3
609.23572	1.1
613.26331	1.7
623.24841	1.7
627.24536	4.5
641.25861	10.6
642.26617	1.2
658.26794	0.7
659.31464	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63673	4.0
54.65488	4.9
62.99053	4.1
64.19468	4.4
64.37009	4.1
68.79350	4.5
71.42463	4.3
79.05512	7.6
82.41805	4.3
85.59028	4.4
88.34396	4.8
91.05502	7.4
93.07052	6.4
94.06582	11.8
96.08132	15.5
106.06590	7.0
108.08113	19.6
110.09675	22.6
120.04494	6.4
120.08086	21.5
122.06036	10.3
124.07602	12.7
134.06000	6.4
136.07571	53.4
138.09146	34.9
144.04460	5.3
148.07562	15.5
152.07104	12.1
157.11581	5.0
162.05487	6.3
164.07011	9.0
166.08643	44.3
171.95973	4.4
172.03937	16.5
180.10173	23.6
190.05023	12.1
198.11598	8.8
204.06512	27.3
209.10564	7.3
210.11531	11.0
211.12372	22.8
223.12344	19.4
225.10135	24.6
226.10930	11.1
227.11806	16.6
237.10202	28.3
238.10979	17.3
239.11798	19.7
241.13329	14.6
245.49727	5.3
249.10162	14.6
250.10887	7.5
251.11790	49.3
252.08777	5.8
252.12498	15.0
253.09865	5.0
255.11313	16.7
262.11115	13.7
263.11777	34.1
264.09024	7.6
264.12460	11.8
265.09747	20.3
265.13196	9.3
266.10550	18.7
267.11224	45.7
269.12769	9.1
270.13629	16.2
277.09637	6.3
278.10529	7.5
279.11249	71.8
280.11658	8.0
281.12631	6.2
283.14523	12.0
285.12231	9.7
287.14084	7.4
291.11252	13.3
293.09457	10.3
293.12839	18.0
296.11481	11.6
297.12329	13.5
298.13083	28.6
299.13870	73.3
301.15533	6.9
307.10880	5.9
309.12137	8.6
310.13144	13.0
311.13879	71.6
312.14536	5.9
319.10831	10.0
323.10156	10.5
323.13782	58.7
324.14536	8.6
325.11963	29.0
325.15359	7.5
326.12628	11.3
327.13351	9.6
329.14536	6.4
335.13861	27.6
337.11792	26.7
339.13376	15.4
341.14957	16.0
344.13852	6.4
351.13324	33.7
353.14993	7.4
355.12726	7.1
356.17648	5.3
359.12067	4.9
359.16122	5.9
369.14737	5.5
372.16934	6.1
372.48663	5.2
376.19943	5.1
388.16272	5.2
400.16364	6.3
402.18103	5.2
404.19724	6.4
412.16626	8.9
432.19427	10.4
434.19223	4.6
435.21576	5.2
436.22180	8.6
444.18973	23.4
450.19894	7.6
460.22507	8.6
462.20251	65.9
463.20963	56.9
464.21790	44.5
474.20273	47.1
475.21207	5.6
476.21756	51.9
488.21622	7.9
490.19739	30.9
491.20258	18.1
492.21112	20.3
494.22998	5.5
504.21286	79.4
505.21817	19.6
506.22516	11.1
507.23538	10.9
525.21838	4.7
536.24286	30.8
537.24414	16.7
585.26581	6.1
609.26880	28.9
627.28064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05255	0.8
55.05507	8.5
55.73675	0.4
55.75283	0.4
56.05029	0.6
57.05811	1.0
60.02653	0.4
61.38816	0.4
65.24973	0.4
69.92546	0.8
69.92859	0.4
72.08150	100.0
73.08492	1.0
84.04501	6.6
86.06069	2.9
102.05540	6.3
109.82922	0.4
114.05508	6.0
130.04990	2.0
138.09166	1.3
139.03926	0.4
143.11790	10.2
148.06029	9.2
155.11778	0.7
156.10190	1.4
157.09752	0.9
171.11264	5.3
176.35455	0.4
183.11270	5.1
185.09196	21.2
201.12291	5.2
211.10754	1.2
221.07886	0.4
229.11781	7.9
247.12872	5.0
256.16541	12.0
256.19131	0.8
273.03030	0.4
284.16025	32.4
285.16302	1.3
300.15491	5.7
328.18619	1.0
355.08881	0.4
358.16129	1.6
371.22864	0.4
376.16800	1.9
399.22498	0.8
413.20276	32.6
414.20676	1.7
475.24252	0.7
512.27045	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
57.03442	0.4
61.02938	0.4
65.03932	2.3
65.56225	0.2
69.03428	2.2
71.01328	0.2
71.04976	0.5
71.43391	0.3
72.58722	0.2
73.26561	0.2
73.60127	0.3
74.64052	0.3
78.14225	0.3
78.25992	0.2
79.61107	0.2
81.02962	0.4
81.03415	6.2
84.35719	0.2
85.02905	2.8
86.09688	0.3
89.03895	0.8
95.04964	6.1
97.02884	5.4
97.13579	0.3
99.04453	0.5
105.04519	0.3
106.06539	0.6
107.04922	0.3
109.02855	2.9
111.04450	2.1
117.03378	1.1
121.02858	100.0
122.03203	1.2
127.03925	2.0
135.04401	2.3
139.03888	17.1
140.04256	0.3
145.02852	1.5
145.04941	1.2
163.03891	13.5
177.05446	0.3
181.04936	0.4
188.71263	0.3
247.06174	0.3
265.07053	9.7
266.07367	0.3
283.08093	13.4
284.08539	0.5
377.19812	0.3
407.66061	0.2
589.51904	0.3
601.20361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01874	0.8
55.05507	6.5
57.03434	8.4
57.07084	1.1
61.02920	2.1
65.03936	1.3
67.05501	34.2
69.03417	0.8
69.07067	13.0
70.06586	1.4
70.50556	1.1
71.04982	1.8
71.06939	0.5
71.08632	0.6
73.02912	0.9
77.03934	0.9
79.05487	20.6
79.05950	1.1
81.03423	1.2
81.07050	47.7
83.04993	3.7
83.08614	9.2
85.02900	1.4
85.06535	2.9
91.03979	0.7
91.05478	10.7
93.07036	37.6
94.07381	0.7
95.04948	4.2
95.08599	10.2
97.02854	0.7
97.06514	7.5
97.10166	1.5
99.08095	1.7
105.04498	0.6
105.07026	4.2
107.08585	20.4
109.06507	1.4
109.10131	2.3
111.08081	3.6
113.09622	1.0
117.07009	4.5
119.08565	1.5
121.06512	1.0
121.10133	12.5
123.11720	1.1
131.08551	4.8
133.10138	3.8
133.45490	0.5
135.08044	1.2
135.11678	4.1
139.11214	0.8
139.77763	0.5
147.11674	0.8
149.02330	1.7
149.13245	20.4
150.02661	0.9
151.11177	0.9
159.11696	8.7
165.12657	0.5
166.37099	0.5
177.12738	3.7
193.04990	1.6
194.05273	1.8
195.13768	7.4
213.14914	0.7
227.01514	0.5
251.16391	0.6
269.17447	53.1
270.17825	1.7
277.77710	0.5
301.29547	1.2
306.88809	0.6
385.09058	0.8
385.28036	0.5
386.09488	1.6
387.09482	1.0
463.30502	100.0
464.30789	5.5
660.36530	7.6
661.44818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03938	0.9
55.05502	6.3
57.03434	4.6
57.07064	0.7
61.02912	2.3
65.03922	1.2
67.05501	28.2
68.55272	0.6
69.03432	0.9
69.07066	9.6
70.74177	0.9
70.74529	0.8
71.04977	2.5
79.05045	0.9
79.05489	15.9
80.05808	1.0
81.03413	1.5
81.07050	35.3
83.04975	2.8
83.08609	8.1
85.02901	2.1
85.06531	2.1
88.03512	0.6
91.03951	0.9
91.05470	11.0
91.06049	0.8
93.06447	1.2
93.07039	25.1
95.04958	3.2
95.08599	10.7
97.02892	1.3
97.06522	5.4
97.10163	0.8
99.08085	0.6
103.10770	0.7
105.07015	5.4
107.04910	0.9
107.08585	15.0
109.06518	1.3
109.10150	2.3
111.08071	2.9
117.07014	5.0
119.08568	3.9
121.06492	2.2
121.10133	6.7
123.11680	2.3
129.07007	2.1
131.08562	6.6
133.10095	7.8
133.44023	0.6
135.08067	1.1
135.11696	4.4
143.08583	1.9
145.10106	1.7
147.11668	1.0
149.09613	1.1
149.13228	10.4
151.11139	1.2
157.10103	1.3
159.11665	6.3
169.10124	0.8
177.12778	2.7
195.13765	5.8
197.13239	0.9
213.14828	1.2
251.16495	1.7
269.17450	31.2
270.17715	0.9
343.26251	0.8
353.24728	1.4
362.28909	0.6
371.25757	2.7
389.26907	1.2
411.14456	0.8
427.27921	0.8
445.29462	14.6
446.29407	1.1
463.30505	100.0
464.30746	7.1
481.31781	1.2
515.19379	0.7
526.88135	0.8
579.58679	0.7
607.34497	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	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01875	1.0
55.05511	8.0
57.03439	5.7
57.07058	1.4
61.02921	3.2
67.05499	33.1
69.07063	10.6
70.47986	1.0
71.04990	2.6
73.02924	1.3
75.10495	0.8
79.05486	17.4
81.03418	2.0
81.07048	43.5
83.04971	2.1
83.08601	7.8
85.02895	2.0
85.06551	2.9
91.05470	13.9
93.07030	31.8
95.04954	4.6
95.08598	11.5
97.02896	1.2
97.06528	5.6
97.10117	1.1
99.08103	1.6
105.07018	6.8
107.04971	0.9
107.08580	15.5
109.06535	1.3
109.10159	3.8
111.08084	3.2
117.07008	6.3
119.08585	5.1
121.06512	2.1
121.10115	8.8
123.11710	2.4
129.06992	2.2
131.08556	8.5
133.10106	10.8
134.11449	0.9
135.08054	1.8
135.11690	6.6
143.08566	1.2
145.10107	2.4
147.11693	1.4
149.02341	4.6
149.13239	14.9
150.04387	0.8
155.08574	1.2
157.10150	1.6
159.11679	7.3
169.10194	1.0
171.11658	1.4
177.12788	2.2
183.11653	1.4
185.13353	1.1
193.04968	4.3
195.13716	7.3
213.14836	1.5
237.07538	10.9
251.16469	2.8
269.17444	29.0
317.99518	0.9
335.23544	1.1
353.24734	3.1
371.25574	1.7
389.26822	1.5
427.28387	1.2
429.11801	1.1
445.29474	17.0
446.29968	1.7
461.10483	0.9
463.30487	100.0
463.61539	1.0
464.30624	5.8
481.31534	1.4
607.34827	6.0
650.29871	0.8
661.15143	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	660.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.0
53.03939	2.5
55.01860	2.2
55.05507	6.5
57.03433	1.7
57.07075	1.0
58.16080	0.8
65.03932	3.1
67.05498	10.4
69.03415	2.2
69.07056	2.6
69.20731	2.3
69.21154	2.7
71.04989	4.5
77.03914	2.1
79.05042	1.3
79.05485	22.2
81.07047	30.2
82.07419	1.1
83.04968	12.3
83.08620	1.3
85.06535	3.8
90.95557	0.8
91.05470	46.5
93.07034	24.6
95.04956	22.0
95.08595	8.2
97.06504	5.4
99.04424	1.1
99.08123	1.0
101.06007	2.0
102.04653	1.1
103.05450	3.0
105.04564	1.8
105.07018	63.2
107.04923	2.7
107.08591	11.5
109.06502	8.3
109.10154	1.6
111.08056	1.5
115.05428	9.9
116.06224	3.7
117.07005	61.3
118.96769	0.8
119.04907	5.3
119.08561	21.4
121.06515	7.5
121.10169	4.5
122.29845	0.9
123.08049	3.2
124.19706	1.0
128.06207	19.7
129.06990	37.4
130.07794	12.8
131.04881	0.8
131.08553	47.0
132.08894	1.2
133.06468	6.6
133.10110	27.4
135.08058	5.7
135.11691	3.1
137.05995	1.0
141.06950	7.0
142.07767	17.0
142.08850	1.1
143.08543	42.5
144.05748	1.1
144.09219	3.1
145.06496	6.2
145.10107	75.2
146.10435	1.0
147.08037	8.1
147.11679	7.9
149.09578	4.5
149.13243	3.5
151.07523	1.3
153.07002	3.8
154.07704	3.0
155.05981	2.1
155.08533	19.9
156.09291	7.0
157.10109	30.5
157.11397	1.9
158.07248	2.5
158.10893	1.4
159.08049	3.1
159.11681	13.9
161.09596	13.2
161.13214	5.3
163.11217	2.3
165.06931	5.6
167.08562	1.8
167.10672	1.0
168.09334	1.2
169.10132	5.8
170.10887	3.5
171.08035	5.2
171.11667	12.8
173.09598	100.0
173.13022	4.5
174.10086	1.6
175.11165	18.5
175.14799	4.3
177.09059	1.5
177.12723	6.3
179.08510	0.9
179.10663	0.9
180.09323	3.5
183.10204	1.1
183.11667	3.0
185.09724	2.0
185.13231	37.1
187.11188	5.7
187.14703	1.1
189.12688	6.5
191.10641	21.7
193.12158	1.0
195.11662	9.4
197.13261	1.0
201.12720	3.7
203.14294	23.1
213.12704	25.7
219.13840	1.3
231.13771	54.4
232.14063	1.5
249.14803	8.2
332.00766	0.8
349.21616	1.0
425.26776	1.5
552.20593	2.6
602.21899	0.9
624.71063	1.2
646.24213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05506	17.5
57.03432	2.2
57.07059	3.5
67.05496	15.6
69.07056	16.6
71.05000	1.6
71.08614	1.8
72.82752	1.3
79.05482	17.6
81.07049	18.7
83.04965	1.6
83.08605	16.4
85.06561	1.3
91.05479	9.5
93.07027	22.8
95.04944	1.6
95.08587	14.2
97.06527	4.2
97.10184	3.8
97.94246	1.2
98.98433	1.8
105.07027	6.0
107.08581	14.3
109.10154	5.1
111.08070	4.6
117.06985	1.6
119.08567	3.2
121.10144	10.6
123.11708	1.7
125.09665	1.8
131.08574	2.2
133.10115	2.7
135.11702	3.1
145.10114	3.2
147.11739	1.4
147.60602	1.4
149.13226	11.4
167.14351	6.2
174.54616	1.3
184.07307	3.0
185.15439	1.6
228.19669	2.8
241.17947	16.9
259.19092	1.6
261.22067	1.6
275.66058	1.2
288.54572	1.1
308.63922	1.1
335.25711	3.7
368.02878	1.5
379.77762	1.3
519.40399	100.0
520.40460	7.0
617.11456	1.6
647.52716	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59497	2.2
70.02123	3.5
70.02463	4.2
75.59264	2.0
94.46058	1.7
98.22694	2.2
178.66422	2.4
209.34137	2.2
215.03198	3.4
307.12967	31.1
321.26071	2.4
333.10953	90.4
334.11285	2.6
351.12006	100.0
351.15491	3.7
352.12381	2.3
661.15137	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	661.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12743	2.6
54.02140	2.5
70.35336	4.2
71.65038	2.8
94.72834	2.6
115.20077	2.5
149.02371	4.8
193.05040	4.2
210.28595	3.5
295.81525	3.1
315.41412	2.9
319.09375	100.0
320.09717	5.1
341.63144	3.2
365.13568	92.1
366.13831	4.2
406.15680	3.5
429.12076	5.9
473.14526	4.7
626.84784	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	661.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45542	1.3
65.03940	1.6
79.05489	3.6
80.04996	1.6
82.06568	3.3
91.05450	2.3
93.07044	6.8
94.06567	8.6
95.07343	6.1
96.08123	14.4
97.06525	1.7
107.04929	1.7
108.04420	1.7
108.08118	16.2
108.64803	1.6
110.09680	24.5
116.04976	4.4
120.04478	5.3
120.08095	17.9
121.02863	4.8
122.06006	5.3
124.07568	9.2
128.34464	1.5
133.54015	1.6
134.05997	2.3
136.07576	15.6
138.05489	3.3
138.08066	2.6
138.09126	42.6
144.04428	5.7
146.05997	6.2
147.69260	1.5
148.07579	5.9
152.07076	3.5
160.03931	2.9
160.43738	1.5
162.05472	3.8
163.03891	8.6
164.04248	3.8
164.07025	2.7
166.05026	3.3
166.08621	61.5
167.08989	2.0
172.03922	37.6
175.64017	1.5
176.07037	2.6
178.04984	3.1
190.04973	15.2
199.12257	3.3
204.06569	31.3
209.10760	2.3
210.11374	2.0
211.08546	2.1
211.12259	2.5
212.09482	3.5
213.10242	2.8
222.11462	2.5
224.09496	1.6
225.10207	8.4
226.10840	2.4
227.11819	7.3
233.10736	2.9
236.09291	1.9
237.10234	9.2
238.11037	3.9
239.08080	1.7
239.11810	7.4
241.09680	5.6
241.13364	1.8
243.11320	1.8
245.12686	1.9
247.14447	2.5
249.10165	3.4
250.11041	2.5
251.08096	2.6
251.11809	6.0
252.08791	2.5
253.09714	11.7
255.11336	3.1
263.11856	2.3
265.09741	20.5
266.10464	6.3
267.11292	8.3
269.12796	6.8
271.10687	5.6
273.12381	7.4
278.06482	4.4
279.11292	7.5
280.08438	2.4
281.09137	3.7
281.12775	7.3
283.10889	7.7
284.11349	2.1
285.12363	7.4
287.13785	6.4
291.11496	2.7
293.09177	21.6
294.09918	5.3
295.10733	4.2
297.12421	9.3
299.10144	3.0
301.11847	1.8
307.10764	4.9
309.12259	10.2
311.10083	2.4
312.11038	5.2
313.11819	6.1
323.10281	2.9
325.11801	24.3
327.13351	3.4
335.10236	6.6
337.11844	2.3
341.11316	18.5
342.12112	2.2
343.13165	2.2
353.11279	15.0
353.34412	1.6
356.14008	2.6
357.14395	9.7
373.13913	8.7
385.14032	4.4
398.14966	3.9
399.15756	7.1
404.15546	1.8
406.21310	2.4
416.15613	4.1
428.15909	2.4
434.20551	4.7
438.19736	2.4
446.16888	7.0
447.16968	1.9
458.17017	11.6
460.18515	5.0
462.19986	4.7
465.18753	11.1
478.19501	9.4
479.20789	2.8
488.18234	11.3
492.20883	2.4
499.17569	2.1
506.19226	100.0
507.19775	11.4
520.20605	5.8
521.21442	14.4
522.22076	2.3
538.21881	15.5
539.21863	2.0
569.23944	2.3
593.23480	2.4
611.24915	34.0
612.25043	2.3
617.24945	2.2
646.97363	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00794	1.1
52.91878	1.2
63.50132	1.1
79.05489	2.2
80.05004	1.8
82.06544	1.9
82.27143	1.1
87.13285	1.1
91.05466	2.4
93.07030	5.8
93.39474	1.3
94.06560	8.1
95.07333	5.4
96.08131	17.5
108.08091	14.5
110.09670	29.6
116.04969	3.4
120.04462	5.9
120.08096	22.7
122.06013	7.9
124.07560	4.0
134.06042	2.9
136.07558	13.3
138.05498	7.4
138.09123	43.6
144.04431	12.2
146.05980	5.8
148.07535	7.6
152.07030	2.2
160.03894	2.5
162.05478	6.1
164.07039	2.0
166.04929	3.4
166.08626	67.3
172.03917	72.6
174.05418	2.2
184.09877	1.4
190.04956	18.4
197.10693	2.1
199.97015	1.2
204.06538	100.0
205.06796	2.1
211.12283	1.8
212.09386	4.1
213.10297	2.7
224.09415	1.8
225.10150	4.5
227.11832	5.9
236.09325	1.8
237.10172	15.6
238.10895	2.5
239.08260	1.5
239.11769	5.5
241.09654	2.3
251.08116	1.5
251.11838	7.6
252.08878	1.4
253.09683	8.2
253.13394	2.1
255.11235	4.0
265.09668	21.1
266.10443	3.9
267.11197	4.2
268.08377	2.1
269.09271	1.8
269.12769	3.9
271.10696	5.4
273.12210	6.7
278.06595	1.4
279.11246	10.4
280.08365	1.6
281.09402	3.0
281.12781	5.3
283.10834	9.6
285.12250	3.9
287.13876	5.5
293.09152	18.8
294.09875	2.7
295.10571	2.0
296.11301	1.6
297.12363	8.0
299.10364	2.8
299.13699	2.8
307.10751	5.4
309.12253	2.8
311.10239	2.5
312.11136	2.3
313.11868	7.8
325.11829	19.2
327.13452	2.9
329.15161	1.7
335.10251	6.7
337.67294	1.2
339.13464	3.0
341.11298	22.8
342.12158	2.8
343.12781	2.9
353.11359	13.9
355.12970	1.7
357.10336	2.5
357.14423	34.8
358.15036	2.5
373.13889	6.0
385.13931	10.2
398.14798	3.3
399.15689	4.8
416.15854	3.3
418.17810	1.7
446.16931	2.8
458.17166	6.6
460.18466	5.5
465.18680	4.4
478.19708	8.9
488.17871	11.1
490.19528	3.8
492.21515	2.6
506.19177	99.8
507.19196	4.3
510.22165	4.3
520.20557	14.4
538.21777	25.1
539.21643	1.9
593.23785	1.4
601.45386	1.2
611.24951	18.3
629.25732	2.1
643.27466	2.7
661.27972	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	661.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13349	0.5
67.05496	0.8
72.42787	0.7
76.04015	0.6
81.03410	0.6
81.07047	1.4
91.05468	0.9
95.08623	0.8
107.08627	0.9
112.14419	0.6
112.51499	0.7
123.04429	0.6
131.08533	0.7
135.80299	0.6
243.08353	1.1
261.50821	0.7
358.39157	0.6
443.23834	3.1
463.30597	0.8
464.30856	2.7
484.71490	0.6
499.26315	4.1
633.32568	1.8
661.31775	100.0
662.32196	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	661.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67511	0.3
53.77861	0.3
58.75977	0.4
69.86028	0.3
91.05475	0.5
91.66129	0.3
93.07014	0.5
94.06568	0.5
96.08135	1.3
97.06503	0.5
108.08125	1.2
110.09661	1.8
120.08111	1.5
124.07555	0.4
133.10127	1.1
136.07588	1.3
138.09142	3.1
164.07159	0.4
166.08612	3.1
205.12001	0.6
210.11566	0.6
211.12286	1.1
223.12242	0.8
225.13911	0.6
236.09441	0.6
237.10213	0.8
237.14064	0.4
238.10902	0.5
239.11874	0.4
241.50398	0.4
243.11467	0.4
248.09473	0.4
249.10168	1.9
249.14639	0.9
250.10980	1.6
251.11819	2.3
253.09868	0.4
253.13310	0.5
261.10233	0.8
262.10913	0.5
263.11774	2.6
265.09744	0.8
265.13409	1.1
267.11288	0.7
269.12772	0.9
270.13657	1.0
277.09647	0.6
277.14105	2.7
279.11264	2.5
281.12793	0.4
283.10724	0.6
283.14459	0.5
285.12372	0.5
291.11560	1.2
293.09476	0.4
295.10727	2.2
297.12430	1.8
298.13092	1.1
307.10776	0.6
309.12375	2.9
310.12900	0.9
311.10712	0.5
311.13687	1.7
319.10876	0.4
325.11841	0.6
329.15042	0.6
330.15683	0.4
335.10153	0.8
336.11432	0.5
337.12067	1.4
341.15164	0.4
353.11554	0.5
355.12692	0.9
357.14508	1.1
367.12918	1.5
373.13831	0.6
377.19678	0.4
391.17285	0.9
393.15079	1.5
393.19351	0.7
403.18930	0.5
411.19995	2.1
418.10309	0.4
419.16394	0.5
432.19025	2.7
435.16382	0.8
435.21780	0.7
453.17325	4.5
462.20175	1.4
463.20969	4.1
464.21915	1.3
490.19357	0.9
494.22867	1.6
495.23093	0.6
506.19281	1.6
508.20535	0.7
520.20825	4.5
521.21350	0.9
522.22412	2.4
529.23895	1.8
538.21912	2.2
539.22638	0.5
543.25488	0.9
544.26227	2.3
585.27063	1.2
599.31665	2.7
601.29907	3.9
602.30365	0.5
611.25055	0.5
617.32910	0.4
643.30670	0.8
661.31854	100.0
662.32135	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	662.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
55.01859	1.6
65.03932	7.2
67.05523	1.1
68.99799	0.4
69.03431	1.5
70.06585	0.4
70.17754	0.8
71.01355	0.3
73.02925	0.5
81.03404	3.2
85.02900	4.3
93.03398	9.3
95.04986	0.5
97.02901	2.4
99.04447	0.4
107.01341	0.6
109.02879	2.5
111.04436	28.8
111.76577	0.3
112.04778	0.4
117.25955	0.3
127.03897	2.4
135.04393	0.6
137.02336	100.0
137.03392	5.2
138.02632	1.6
139.03889	61.4
140.04207	1.3
145.02783	0.3
145.04944	1.1
149.02306	0.5
155.03377	72.3
156.03702	1.4
163.03896	1.4
165.00075	0.4
167.03384	64.1
168.03757	1.0
180.08647	0.6
180.99525	0.5
185.04410	0.5
195.12288	0.3
200.33907	0.4
206.02814	0.4
215.23792	0.3
234.02098	1.2
252.03204	0.4
274.91602	0.4
281.06424	0.5
289.72064	0.3
299.07599	1.6
321.05872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01865	1.8
55.05500	2.0
57.03434	4.5
61.02911	1.9
67.01878	0.9
67.05502	4.5
68.99761	2.1
69.03421	11.7
69.07063	1.9
71.01355	1.1
71.04956	1.6
73.02903	5.8
75.03263	0.7
79.05478	2.0
81.03411	7.5
81.07051	5.1
83.01315	0.8
83.04964	4.5
85.02405	1.6
85.02894	21.7
87.00824	8.5
91.03941	0.7
91.05475	2.5
93.07007	3.4
93.59328	0.7
95.04943	2.3
95.08598	6.4
97.02888	14.1
97.06508	1.6
99.04442	5.9
103.03939	4.2
103.05471	0.9
105.01849	5.7
105.07026	2.7
107.04943	1.1
107.08572	3.1
108.08843	0.7
109.02868	25.6
109.06535	4.2
109.10155	12.0
111.04436	3.8
115.03921	2.3
117.06976	1.4
119.08562	2.1
121.06535	1.2
121.10148	1.2
123.04408	2.7
123.08071	1.7
125.02321	2.3
125.05965	1.0
127.03025	1.3
127.03902	15.6
129.01810	1.5
131.08545	3.2
133.06499	1.2
133.10106	1.4
135.04401	1.3
135.08028	2.6
137.02370	1.3
137.05965	2.0
137.09616	8.2
139.03954	1.6
141.05431	0.9
142.07693	0.9
143.08533	2.6
145.04948	3.1
145.06447	6.7
145.10115	2.8
147.02876	1.0
147.04382	1.0
147.08044	1.3
149.05998	1.1
149.09592	1.0
151.03879	4.9
151.07607	3.6
153.05460	1.4
155.08646	1.0
157.10114	1.5
159.02844	2.4
159.08054	3.2
159.11613	2.0
161.05946	10.8
161.09572	1.8
161.10915	0.7
163.03882	1.9
163.07492	4.0
165.05490	2.2
165.09103	0.8
167.07025	1.2
168.09348	1.7
169.04918	1.1
171.02878	1.0
173.05981	1.8
173.09624	1.7
173.13252	4.0
175.07536	1.7
177.05450	3.1
181.04938	2.5
183.11673	4.1
186.10310	0.9
187.07462	1.6
187.11150	2.8
189.03946	3.9
191.07002	22.6
191.14291	1.8
193.04922	0.8
199.07527	1.3
199.11101	0.8
201.12747	11.6
205.08762	0.8
205.12244	1.0
211.06119	0.8
211.11154	3.2
213.03928	1.6
214.09789	1.4
217.12163	5.1
219.10355	0.7
219.13782	10.7
223.05989	1.7
229.12218	41.4
230.12668	1.2
231.04944	1.7
241.07008	2.9
247.13278	70.5
248.13620	2.0
265.14322	100.0
266.14581	4.1
273.05997	2.7
327.07214	1.1
363.08810	0.9
495.18399	2.5
513.19629	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	662.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01862	2.1
55.05503	13.6
57.03428	17.0
57.44678	1.2
61.02917	2.4
61.78179	1.1
62.42695	1.1
65.24815	1.2
67.05496	42.8
69.03421	5.0
69.07057	12.9
71.01343	4.7
71.04986	6.3
75.45100	1.1
77.03936	1.5
78.16684	1.2
79.05488	38.8
81.03408	50.1
81.07047	28.7
83.04967	17.4
83.08607	15.8
85.02895	14.9
85.06540	4.6
86.09705	4.3
91.03993	2.2
91.05471	31.8
93.07028	44.2
93.07597	2.4
95.04958	20.4
95.08585	8.3
97.02901	3.6
97.06525	13.9
97.10146	10.5
99.04443	1.5
99.08099	2.0
105.07024	14.8
107.04955	5.5
107.08585	30.7
107.09255	2.6
109.06500	3.2
109.10172	6.4
111.04456	2.9
111.08073	6.8
113.05984	1.6
117.07027	5.3
119.08555	16.1
121.06507	2.0
121.10133	12.1
123.08067	2.6
125.06046	1.3
125.09644	1.6
129.07010	6.4
131.08551	6.4
133.06544	1.6
133.10112	7.7
135.11681	43.3
135.12639	2.4
137.09566	1.9
142.07805	2.1
145.10136	8.9
147.11662	10.0
149.09627	4.8
153.12775	2.7
157.10103	8.9
163.11192	7.9
175.11192	9.8
181.12204	10.8
182.87994	1.3
184.07343	10.1
193.12219	23.1
199.13373	1.6
211.13275	40.1
214.35997	1.4
255.15891	100.0
256.16089	2.2
267.15857	22.6
285.16928	28.8
333.32642	1.2
352.95441	1.4
379.12634	14.1
380.13385	6.5
434.14563	3.7
435.48215	1.3
447.27359	35.1
448.27991	1.6
465.28430	91.1
466.28708	5.7
484.18417	2.7
562.98010	1.4
569.21362	2.1
587.22418	5.2
601.23950	2.0
619.25018	1.6
621.33258	1.5
630.23883	1.9
631.22272	1.6
662.32257	8.0
663.23749	10.8
663.33551	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	662.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01858	2.4
55.05506	9.0
57.07061	3.1
61.94290	1.4
65.03946	1.9
67.05496	15.9
69.03404	2.2
69.07072	3.1
71.04985	4.8
71.07372	2.0
77.03905	2.2
78.10177	1.6
79.05482	16.9
81.07046	21.5
83.04968	10.9
83.08583	3.7
85.06567	3.0
85.41713	1.6
86.09704	7.3
87.04453	8.2
91.05464	49.1
93.07040	19.0
95.04951	20.1
95.08591	11.4
97.06518	2.9
98.22706	4.6
98.88100	1.5
103.05463	2.6
105.04533	2.2
105.07018	61.8
107.04947	2.7
107.08581	12.8
109.06493	9.6
109.10130	4.5
114.51350	1.7
115.05446	11.4
116.06245	5.9
117.07002	61.1
119.04904	3.4
119.08561	23.0
121.06501	9.7
121.10134	4.7
123.08056	3.2
124.99990	7.1
128.06209	16.1
129.06990	32.1
130.07776	12.2
131.08553	44.9
133.06476	8.4
133.10120	23.0
135.08061	5.8
135.11665	1.7
137.09508	1.6
141.06960	5.2
142.07738	14.8
143.08539	44.0
143.09622	2.6
144.09300	3.7
145.06482	5.5
145.10109	73.7
147.07996	8.3
147.11694	5.0
149.09590	5.8
153.06989	4.5
154.07803	2.9
155.08553	16.9
156.09322	5.1
157.10104	28.5
158.07240	4.1
159.08011	4.7
159.11668	12.3
161.09622	11.5
161.13239	4.6
163.07513	1.8
165.06920	3.8
169.10159	6.6
170.10991	1.9
171.08015	4.1
171.11670	11.6
173.09598	100.0
173.13181	4.2
175.11182	16.2
175.14763	2.1
179.08679	1.7
179.14322	3.4
180.09315	2.4
183.07945	1.7
183.10234	2.1
183.11668	2.5
184.07306	27.1
184.08830	2.0
185.13235	28.3
185.14755	2.6
187.11147	6.2
189.12741	5.8
191.10649	18.7
195.11656	10.9
201.12796	2.3
203.14285	20.1
203.79614	1.5
213.12717	20.9
229.14307	2.7
231.13776	40.3
249.14810	6.1
262.10187	1.5
311.25681	2.2
320.65253	1.7
357.41757	1.6
380.73904	1.6
535.24390	1.6
662.43439	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	662.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01864	1.5
55.05505	16.5
57.03438	1.0
57.07072	4.1
58.72295	0.7
60.26987	0.6
65.03931	1.6
67.05496	28.0
69.07062	19.4
70.55690	1.4
71.04978	1.8
71.08617	1.2
73.06547	0.8
79.05485	10.8
79.39767	0.6
81.07050	33.0
82.07385	1.0
83.04960	2.0
83.08612	18.4
85.06544	1.5
87.04462	10.0
91.05466	7.3
92.05804	1.4
93.07034	13.7
93.07610	1.1
94.07407	0.6
95.04967	2.7
95.08597	20.1
96.12686	0.6
97.06525	4.7
97.10152	4.9
98.98464	1.4
99.08109	0.9
101.05975	0.7
105.04533	0.8
105.07020	7.4
106.07336	1.2
107.08576	10.4
109.06570	0.7
109.10154	7.7
111.08112	2.8
115.34492	0.7
117.07016	3.5
118.07349	1.0
119.08591	2.8
121.06549	0.6
121.10129	5.2
123.11726	3.1
125.09611	1.9
128.06218	0.8
129.07014	2.0
130.15889	0.9
131.08580	3.0
132.08894	1.5
133.10136	4.1
135.11697	1.9
137.13222	1.1
143.08534	2.0
144.08871	0.8
145.10094	3.6
146.10451	1.9
147.11713	1.7
149.13234	10.0
155.01031	0.7
157.10213	0.9
161.13304	1.0
167.14290	5.3
173.09587	4.8
174.09967	2.5
175.14839	0.7
184.07376	2.7
185.13397	1.3
185.15392	3.1
186.13596	1.0
213.12718	0.6
214.13104	0.9
228.19568	4.5
231.13766	1.5
232.14143	1.8
241.17947	14.6
245.22672	1.3
255.15608	0.6
259.19138	1.8
263.23764	2.0
306.28006	0.9
337.27405	3.3
406.30624	0.6
429.37344	0.8
447.38290	0.8
521.41974	100.0
522.42468	6.7
531.27869	0.8
662.43994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	41.1
60.56993	0.6
63.63589	0.7
64.80271	0.6
65.37229	0.6
70.21912	0.8
70.22234	1.5
72.46292	0.7
73.71436	0.8
81.12706	0.8
84.96030	1.9
86.39476	0.6
93.55574	0.6
98.97576	17.2
116.98610	14.1
134.99652	8.6
153.00648	1.4
178.07817	0.8
191.08543	1.4
195.58879	0.7
203.08592	1.3
204.09354	6.2
207.11713	2.2
209.09590	0.7
219.11705	7.5
221.09464	1.2
224.08209	1.2
225.76208	0.7
232.08820	3.0
235.11177	2.4
237.09125	1.0
247.11147	5.9
250.09952	3.4
255.06731	1.0
262.02878	5.5
263.03714	0.9
265.12216	24.7
269.04865	0.7
271.06436	1.1
279.03287	6.5
280.04022	9.3
281.04724	1.3
283.06390	1.9
284.03720	1.5
287.05850	1.3
291.06732	4.3
294.02005	1.9
297.04382	21.4
297.07935	2.4
298.05106	100.0
299.05869	14.4
299.09384	1.9
300.06635	4.6
301.07394	1.2
303.06744	0.9
307.06381	2.1
309.07932	11.3
311.05740	1.8
311.09534	1.8
312.03143	5.7
312.06650	1.1
313.03827	0.9
313.07431	0.9
314.04593	2.4
315.05331	5.2
315.08929	2.8
316.06155	59.2
317.06912	8.2
318.07706	2.8
320.06223	1.2
321.07291	6.5
323.05887	4.5
324.06622	2.7
325.07510	8.9
326.07980	1.8
327.09009	73.5
328.09457	2.1
329.10614	2.3
332.09506	0.8
335.05865	1.3
337.07358	1.8
338.04245	0.9
339.09018	19.2
341.06931	9.2
341.10550	1.5
342.07629	1.7
343.08569	3.8
344.09076	1.4
345.10077	33.6
350.10605	3.5
351.08942	5.6
352.05688	0.8
353.06982	5.3
355.08344	1.0
357.10056	32.3
358.10703	1.1
359.08115	2.0
362.10373	1.3
363.09204	1.1
369.10062	9.3
371.07983	3.5
375.11093	5.7
380.11591	2.1
381.10068	76.4
382.10468	3.0
392.11325	1.0
399.11145	71.5
400.11490	1.3
422.12671	9.9
532.15869	0.9
543.18378	10.3
555.18317	3.6
561.19421	16.8
573.19305	7.9
584.20856	1.0
591.20251	4.6
603.20508	1.6
619.79144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82170	0.4
68.86659	0.4
71.43301	0.6
103.01766	0.4
125.00967	0.4
125.05999	0.5
153.48482	0.4
193.76985	0.4
213.88283	0.5
228.86943	0.5
487.23990	0.6
550.38654	0.5
663.31311	100.0
664.31763	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	663.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41582	1.1
55.05519	1.3
61.02919	4.0
67.05502	4.0
69.03437	1.8
71.43405	1.4
73.02897	2.2
79.05484	5.4
81.03410	1.6
81.07037	3.2
85.02900	3.6
91.03986	2.0
91.05493	3.6
93.07043	4.6
95.08602	2.1
97.02883	2.7
105.07027	2.0
107.08565	2.7
119.08531	1.7
131.66739	1.4
133.10159	2.4
135.11702	2.3
141.63431	1.2
144.32332	1.3
145.10126	1.7
179.54849	1.5
182.31090	1.4
243.08286	1.9
400.49780	1.3
439.19452	3.7
451.19305	1.7
453.20834	1.9
465.21112	2.5
517.61407	1.4
603.30829	1.9
663.33417	100.0
664.34058	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	663.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17830	0.4
55.37389	0.3
55.47748	0.4
56.19772	0.4
64.57770	0.3
65.06374	0.3
69.58852	1.1
71.92412	0.4
76.96384	0.3
77.67381	0.3
83.95440	0.4
98.96664	0.4
99.04455	1.0
102.36201	0.4
105.07025	0.4
145.10147	0.4
149.02324	2.2
150.02658	0.8
193.04993	1.1
194.05357	0.6
203.05249	0.5
234.03760	0.4
243.08499	0.8
247.73965	0.4
309.65918	0.4
391.75070	0.4
413.17819	0.6
430.12057	1.2
440.96396	0.4
445.25510	2.1
474.14899	1.2
501.28110	2.3
635.33435	0.5
663.33386	100.0
664.33618	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	664.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01873	0.5
55.05508	5.7
56.03697	0.3
57.03431	1.7
61.02925	0.6
65.03938	0.8
66.21336	0.3
67.05505	2.1
69.03419	1.2
69.51913	1.3
71.04974	0.5
81.03418	1.1
81.07061	0.7
83.04974	49.9
84.04492	0.4
84.05283	0.5
85.02897	100.0
86.03234	0.8
87.00824	1.2
87.04460	1.1
91.05516	0.8
93.07025	0.3
95.08613	0.4
97.02872	2.3
99.04455	0.8
101.06047	0.7
105.01866	1.3
105.07028	0.9
108.28990	0.3
109.02872	3.0
111.04433	29.4
112.04762	0.5
117.07034	0.4
119.04904	0.6
119.08552	0.8
127.03900	9.7
129.05466	12.8
131.08563	0.7
145.04976	0.6
145.10123	1.5
146.02185	0.3
147.04349	0.5
151.07536	1.5
153.05396	0.6
159.02965	0.4
159.11707	0.8
160.18588	0.3
161.13303	0.5
163.03918	1.1
171.06508	99.5
172.06848	1.7
173.13281	0.6
181.04926	0.4
201.16393	2.2
205.79144	0.3
209.49084	0.3
210.11049	0.3
213.03923	0.8
219.17442	1.1
231.04941	1.3
231.08614	17.0
236.98134	0.4
277.10693	0.5
309.96704	0.4
343.94888	0.3
350.94565	0.3
370.51675	0.3
441.52576	0.4
612.76184	0.4
643.80084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87347	0.8
53.03931	2.3
55.01853	1.6
55.05504	39.1
57.03413	1.9
63.31375	0.9
65.03926	1.9
65.35036	0.9
67.05495	6.9
69.03411	1.8
69.07043	1.4
71.04974	4.3
76.26375	0.9
79.05482	10.8
81.07040	11.8
83.04968	82.1
84.05309	1.2
85.06535	2.6
91.05466	38.9
93.07024	13.0
95.04951	17.3
95.08584	4.1
97.06492	5.1
99.04430	4.0
101.06053	1.7
103.05443	2.9
105.04497	1.3
105.07013	49.9
107.04962	2.3
107.08563	7.0
109.06474	6.4
111.08041	1.1
115.05433	10.6
116.06228	3.3
117.07000	51.1
118.95071	0.9
119.04922	3.3
119.08559	14.2
121.06470	4.4
121.10123	2.4
123.08053	2.2
128.06197	15.7
129.06985	46.5
130.07809	9.1
131.04921	1.3
131.08545	54.0
132.08936	1.9
133.06450	5.4
133.10101	13.4
135.08035	5.7
137.05952	1.0
141.06961	7.0
142.07770	11.6
143.07416	2.1
143.08540	41.7
144.08975	1.1
145.06468	5.7
145.10103	54.6
146.10547	1.3
147.07993	7.8
147.11659	4.1
149.09584	7.6
151.07549	1.9
152.06230	1.4
153.06998	5.0
154.07747	4.8
155.05997	2.4
155.08533	24.8
156.09305	7.6
157.10097	21.2
158.07249	4.1
159.08005	5.5
159.11674	9.7
161.09607	13.3
161.13252	4.1
163.11153	2.7
165.06964	4.4
167.08598	1.4
169.10121	7.4
170.10849	3.0
171.08035	5.3
171.11655	15.5
172.08751	1.7
173.09595	100.0
174.10007	3.1
175.07552	1.1
175.11160	7.5
175.14799	2.5
180.09341	3.9
183.08026	1.7
183.11647	2.0
185.09697	2.1
185.11684	2.0
185.13216	22.3
187.11131	5.6
189.08997	1.1
189.12720	6.6
191.10612	6.4
195.11702	10.9
197.09698	1.0
198.10429	1.9
201.12683	2.8
203.14273	12.2
213.12715	39.5
231.13766	57.1
232.14183	1.8
249.14824	5.3
273.14838	11.4
331.18903	3.1
349.19937	4.2
662.46179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.6
67.05479	7.8
68.23257	3.3
69.07008	4.4
70.82909	3.8
79.05484	13.2
81.07035	11.3
83.04967	12.2
83.08598	8.8
85.06533	5.2
91.05469	43.8
93.07048	15.1
95.04968	18.7
95.08553	5.2
97.06518	4.7
97.10174	9.7
103.05438	4.9
105.07021	58.3
107.04934	4.1
107.08584	9.2
109.06500	6.6
115.05441	11.7
117.07018	64.8
119.08582	20.5
121.06467	6.8
121.10141	7.6
123.07988	3.6
128.06203	16.0
129.06989	40.0
129.97884	2.7
130.07767	10.2
131.04887	4.0
131.08556	54.2
133.06522	7.9
133.10094	21.2
135.08092	3.7
141.06931	5.6
142.07738	14.5
143.08554	50.5
144.09268	3.8
145.06459	4.6
145.10103	78.6
147.08023	8.0
147.11635	6.0
148.90466	3.3
149.09612	7.8
153.06970	5.1
155.08562	23.7
156.09300	6.8
157.10117	30.3
159.11668	13.5
161.09615	13.2
161.13280	4.9
169.10104	5.3
171.07956	4.0
171.11662	13.0
173.09610	100.0
173.11113	6.2
175.11104	15.4
175.14844	3.3
180.09373	3.8
184.07332	4.7
185.13243	31.2
189.12679	5.4
191.10715	11.6
195.11617	6.4
203.14275	22.3
205.12190	3.2
213.12689	30.7
231.13766	48.7
249.14780	5.0
474.48703	3.1
498.87079	3.4
551.84973	3.4
646.48523	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13724	0.5
57.39207	0.4
59.42548	0.5
62.37052	0.5
69.94179	0.4
77.68646	0.4
125.83176	0.5
128.30656	0.5
146.05988	2.5
289.09457	2.4
290.10037	1.1
291.07190	0.5
309.11948	1.4
333.08347	0.9
335.09973	23.2
347.09747	0.7
354.15866	1.0
361.11426	1.9
379.12561	3.0
380.13351	0.7
392.17142	0.8
394.11270	1.0
407.12411	1.1
408.12656	1.1
414.18158	0.8
418.15216	0.6
422.14777	0.8
423.15009	0.6
436.16254	3.1
452.15469	0.6
468.15344	5.0
480.15274	10.7
481.16104	1.1
545.24725	0.7
547.22803	0.7
560.20050	2.3
565.24188	1.0
589.24176	5.9
592.22314	0.8
605.23926	4.0
621.26825	0.7
633.23096	100.0
634.23499	6.8
665.25702	69.8
666.26001	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	665.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
53.11756	0.3
55.05499	1.0
57.03430	1.1
61.02918	3.9
62.46151	0.3
67.05502	2.9
69.03417	2.1
69.07053	0.9
69.52198	1.9
71.04974	0.5
73.02909	2.8
79.05485	3.0
81.03403	1.1
81.07046	4.7
83.04955	0.9
83.08606	1.0
85.02900	4.0
91.03965	3.5
91.05479	1.0
93.07046	3.6
95.04941	0.6
95.08595	1.3
97.02884	2.7
97.06521	0.9
99.04450	0.9
99.22045	0.3
101.02386	1.4
105.07004	0.7
107.08596	1.6
108.02857	0.4
109.06612	0.4
111.08088	0.5
117.07034	0.9
121.10154	1.0
127.03920	1.0
127.35143	0.4
131.08563	1.2
133.10129	1.1
135.11681	0.7
143.82129	0.4
149.13245	1.8
152.61784	0.4
159.11729	0.7
185.04253	0.4
193.04919	0.4
195.13808	0.9
203.05447	0.6
235.13136	1.6
243.08365	1.8
269.17603	1.1
291.15790	0.8
453.20886	16.6
454.21222	0.8
503.29538	0.5
589.54688	0.4
665.34955	100.0
666.35345	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	665.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54567	0.2
50.85690	0.2
51.83088	0.2
53.03922	0.3
55.01849	0.4
55.05503	0.7
57.03420	1.4
60.52268	0.3
61.02919	3.5
67.05496	4.5
69.03419	1.8
69.07059	1.8
70.37456	0.4
71.04987	0.8
73.02908	2.7
79.05491	2.6
81.03412	0.8
81.07046	6.4
81.07504	0.5
83.04987	0.4
83.08604	1.3
85.02905	2.8
85.06528	0.3
91.03956	1.7
91.05468	1.7
93.07034	4.1
94.00354	0.2
95.04984	0.6
95.08584	1.5
97.02881	3.3
97.06524	1.1
97.10192	0.3
99.04459	0.6
99.08076	0.3
101.02384	1.3
105.07043	0.5
107.08586	2.5
109.02907	0.4
111.08098	0.7
117.07017	0.6
119.08624	0.3
121.10120	1.6
127.03885	1.5
131.08566	0.7
133.10106	0.7
135.11685	0.6
145.05017	0.4
149.13249	3.0
151.21249	0.3
159.11658	1.4
159.36842	0.3
169.45363	0.2
177.12779	1.0
185.04245	0.5
195.13869	0.4
203.05309	0.4
235.13068	2.1
243.08382	2.2
269.17526	0.7
291.15689	0.5
390.99988	0.3
397.41592	0.3
453.20905	14.0
454.21219	0.9
500.66461	0.3
503.29730	0.4
665.34961	100.0
666.35236	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	665.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
57.03429	1.3
57.07049	0.6
61.02918	4.3
67.05492	3.0
67.97780	0.6
69.03419	2.7
69.07058	1.3
73.02910	2.2
79.05495	2.6
81.03406	1.8
81.07043	6.3
83.08623	1.5
85.02905	4.6
91.03955	3.1
91.05479	2.2
93.07034	4.1
95.04944	0.7
95.08617	1.8
97.02879	3.4
101.02368	0.8
105.07027	1.2
107.08596	1.9
120.13548	0.8
121.10138	1.7
131.08521	0.8
133.10158	1.8
149.13281	2.1
151.07465	1.0
159.11700	1.1
192.56009	0.8
235.13177	1.3
243.08423	1.8
246.32433	0.9
269.17664	1.4
278.80701	0.8
406.00333	0.8
429.15146	0.9
453.20816	14.3
565.94189	0.7
665.34973	100.0
666.35272	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	665.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
57.03425	0.9
57.30709	0.5
61.02924	4.1
67.05494	3.5
69.03426	2.2
69.07066	0.8
70.70660	0.8
73.02902	2.2
79.05480	2.2
81.03452	0.7
81.07047	4.8
83.08621	0.8
83.80309	0.5
85.02909	3.0
91.03952	1.9
91.05479	1.2
93.07009	3.1
97.02903	2.8
97.06512	0.6
101.02361	1.8
105.07066	0.7
107.08609	1.8
117.07017	0.7
121.10149	0.7
127.03908	1.0
131.08528	0.9
133.10129	1.1
135.11671	0.9
149.13245	1.4
159.11797	0.9
185.04199	0.7
195.13908	1.2
203.05208	0.7
235.13120	2.0
243.08362	1.5
269.17535	1.7
283.21381	0.5
291.15613	1.0
397.81274	0.5
453.20926	16.9
454.21280	1.0
519.89178	0.6
560.59479	0.5
665.34979	100.0
666.35303	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	665.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59893	0.6
55.05495	0.7
58.43872	0.7
67.05486	1.3
71.04967	0.6
71.43037	0.5
71.43494	0.8
79.05483	0.9
80.42561	0.5
81.07034	1.5
90.94993	0.6
91.05476	2.0
93.07032	1.6
95.04951	1.5
96.87730	0.7
105.07034	2.2
107.08602	0.7
117.07034	1.5
119.08585	0.6
129.06973	1.0
130.07787	0.8
131.08498	1.2
133.06459	0.8
143.08516	0.8
145.10110	2.5
166.47313	0.6
172.54747	0.7
173.09637	2.0
217.12025	2.1
223.09381	18.6
223.11465	1.3
230.14951	0.8
253.11980	1.3
271.13013	19.3
447.25049	1.5
456.06879	0.7
465.26068	100.0
466.26389	7.6
479.07733	0.7
523.42328	0.8
665.36371	4.1
666.36658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13032	1.5
66.68777	1.7
69.75243	3.3
94.21520	1.9
97.24844	1.6
144.44447	1.7
150.41942	1.5
173.89912	1.8
185.04379	2.1
265.47385	1.7
335.12503	100.0
336.12973	5.1
353.09314	3.3
353.13589	55.5
353.22943	56.0
353.27313	2.9
354.13895	4.1
410.13022	3.8
411.13855	2.5
419.42023	1.6
435.98303	1.7
461.15887	1.7
498.06619	1.6
665.20404	9.9
665.30463	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	665.4047
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
50.27629	1.7
55.05503	7.2
67.05500	7.1
69.07057	6.3
69.11532	12.6
78.30458	1.8
78.64808	1.8
79.05473	5.5
81.07041	12.0
83.08624	10.8
89.03916	7.0
91.05476	7.1
93.07044	10.2
95.08598	26.2
104.75963	1.7
105.07025	11.9
107.08582	23.3
109.06493	1.9
109.10127	11.3
115.40292	1.9
117.03375	17.4
119.08572	31.1
121.10133	14.3
123.11690	8.2
129.06938	2.2
131.08560	7.6
133.10110	12.3
134.03621	4.0
135.04384	3.4
135.11656	11.7
137.13190	3.6
143.08551	5.5
145.02837	48.1
145.10107	14.7
147.11691	12.1
149.05975	7.5
149.13232	7.0
157.10101	4.9
158.10962	2.5
159.11685	15.0
161.13248	7.2
163.03871	5.3
163.14764	4.2
169.10066	4.6
171.11681	7.2
173.13261	9.3
175.14777	9.8
176.21288	1.7
177.05455	100.0
177.16380	7.0
178.05678	2.1
179.14320	1.9
185.13261	8.6
186.05489	2.1
187.14806	13.9
189.16412	17.2
191.17892	4.2
195.06517	33.6
197.13210	2.6
199.14801	7.7
201.16371	23.2
203.14346	4.0
203.17914	9.6
205.15845	5.5
207.17410	4.5
211.14763	3.8
213.16330	6.7
215.14505	2.6
215.17931	5.8
219.13852	2.5
219.17418	2.5
227.18080	2.1
231.17339	2.6
233.15353	2.9
241.19333	2.6
245.15318	3.4
247.17012	2.5
249.14876	5.0
253.19507	3.6
255.21115	2.0
257.22632	2.3
259.16846	4.9
267.21167	2.3
389.31970	7.8
407.33182	14.4
409.30911	13.6
435.32605	32.8
453.33487	12.9
485.67529	2.1
511.44562	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	666.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26100	0.2
55.01616	0.5
55.01865	7.3
56.05032	0.3
63.02370	0.6
65.11199	0.3
68.32013	0.3
69.11803	2.0
70.02940	0.7
74.00677	0.3
76.03990	1.3
79.05470	1.2
83.06089	2.9
84.04495	9.1
84.05002	0.5
87.68463	0.2
89.03901	7.3
91.05450	0.4
95.04967	0.5
99.05583	0.4
102.05513	0.5
107.04937	2.2
107.06076	0.5
111.04404	0.3
112.03949	8.2
114.66763	0.4
117.03364	6.7
121.01098	0.5
122.51550	0.3
127.02090	1.2
129.06581	7.2
130.04988	32.5
130.53471	0.3
135.02637	1.8
135.04396	16.7
136.55115	0.3
137.00543	1.0
139.02126	0.7
139.03838	0.7
145.02831	10.9
145.06047	2.5
147.02634	2.0
147.04434	0.4
147.07629	1.1
149.00546	6.4
150.03099	0.4
153.06567	0.6
155.01604	1.0
155.08180	0.4
160.05049	0.8
161.05788	0.3
163.02246	4.3
163.03880	100.0
164.04224	1.8
165.00049	1.8
167.01602	2.9
173.00510	1.0
173.40997	0.3
175.02100	1.6
175.03638	0.4
178.02574	2.2
179.01616	1.8
180.06540	4.0
181.03148	0.8
181.04799	0.8
181.06230	0.5
183.01123	2.6
187.03844	1.2
189.05408	0.4
191.00008	0.5
191.01601	6.6
192.02292	0.5
192.07703	0.8
192.99451	0.5
193.03175	1.1
195.01094	14.0
199.07100	1.0
201.00035	0.6
208.04289	1.2
209.02646	8.4
209.04604	0.6
211.00548	7.5
219.01096	2.7
236.03796	0.8
237.02139	14.3
237.04524	0.7
254.04460	0.3
255.03160	5.3
264.03079	0.8
266.04700	0.5
272.05881	4.4
282.04248	0.5
294.04218	2.8
301.03970	0.4
309.10651	0.5
312.05307	2.1
320.05893	0.3
321.05566	0.3
329.07843	0.5
339.06644	0.8
340.04681	0.6
357.07355	1.4
358.05823	5.0
366.06485	0.3
367.09177	0.3
371.05615	0.4
375.08524	34.2
376.08667	1.1
383.09027	4.7
388.86331	0.3
399.05191	0.4
401.09784	0.5
411.08344	1.2
417.06277	0.7
429.09503	4.6
434.09134	1.3
441.09467	0.6
444.07428	0.5
462.08487	7.6
463.08737	0.4
474.08420	0.7
486.11618	1.2
487.10083	0.4
501.08929	0.4
504.12778	11.2
505.12674	0.7
520.08911	0.4
537.11658	4.7
538.11945	0.4
565.50659	0.3
591.12756	6.5
649.13165	0.4
650.15228	0.4
666.16388	1.8
680.78094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.3
56.05033	2.5
56.81853	0.5
57.04540	0.5
58.85290	0.4
60.04520	1.2
65.03923	1.0
70.02949	26.5
71.06084	1.2
72.04517	1.2
74.00672	0.8
74.02433	3.6
75.93388	0.5
76.04002	9.3
79.05505	0.6
82.06582	1.6
83.06098	3.9
84.04498	9.1
85.50599	0.5
88.03974	3.3
89.03896	1.1
91.05476	0.9
93.03394	1.6
95.04987	0.5
96.04494	1.1
99.05569	7.1
103.05047	0.9
103.44808	0.5
107.04929	2.0
107.06093	1.4
108.04449	1.3
109.07610	2.5
110.06031	1.7
111.04440	7.1
112.03956	1.6
116.03431	3.5
117.03400	0.7
117.06577	1.1
119.04978	0.6
121.01096	2.3
123.05517	0.4
124.03961	1.3
125.07114	1.6
126.05497	0.8
127.05010	1.3
129.06595	2.9
130.04996	7.2
131.04964	0.7
135.04402	7.3
135.05513	1.6
136.03920	0.9
137.00349	0.5
137.07127	2.3
139.03900	9.4
142.05011	0.5
145.06068	100.0
145.61755	0.5
146.06425	1.4
147.02623	0.6
147.04390	1.0
149.00549	6.2
151.53577	0.5
153.06578	6.8
155.08113	3.5
160.00624	2.8
161.00587	1.2
163.02132	1.5
163.03899	5.5
165.00063	2.5
165.06577	0.9
169.06097	1.4
173.00536	0.6
175.02089	0.7
175.03772	0.7
175.06282	0.6
177.03253	0.6
177.05437	0.8
178.79904	0.5
179.01610	14.2
179.03189	0.8
181.04884	1.6
181.06116	1.9
183.07559	0.8
187.05331	0.8
189.00027	1.5
191.01633	1.2
192.99567	3.2
193.03175	1.7
193.06148	0.8
194.02707	5.7
195.01100	24.1
196.01483	0.5
199.07108	9.1
200.99977	0.6
207.01097	7.0
208.04254	2.8
209.02617	0.5
209.05663	0.7
211.07135	11.8
219.01076	3.2
236.03781	6.2
236.50664	0.5
237.02151	1.0
254.04749	0.5
256.09204	0.6
257.07593	0.9
264.03244	32.8
265.03549	1.0
274.10294	3.7
280.08176	1.0
280.11304	0.5
297.05304	1.7
322.03705	2.3
329.18451	0.5
339.06473	3.4
347.06842	0.8
365.07986	0.8
375.08401	0.7
393.07498	7.4
405.07465	1.8
411.08429	2.4
434.08875	1.6
463.30081	0.5
468.10703	2.9
504.12534	0.6
537.11798	4.3
591.12781	13.6
592.12836	1.0
634.17426	0.6
648.15222	0.6
666.16217	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	666.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.1
56.05034	0.7
63.02370	0.8
64.85014	0.3
65.03942	0.4
69.24578	1.7
70.02946	3.8
74.00267	0.5
74.00658	6.0
76.03996	1.8
79.05482	1.6
83.06088	2.7
84.04495	12.1
88.03972	0.4
89.03906	10.9
91.05428	0.4
95.04968	0.9
99.05564	1.8
107.04941	3.4
107.06078	0.5
109.07625	2.3
112.03950	8.3
116.03444	0.4
117.03368	10.8
121.01073	1.5
126.52682	0.4
127.02134	0.4
127.05009	0.4
129.06580	5.5
130.04988	35.3
133.02916	0.3
135.02701	0.8
135.04402	23.3
136.04712	0.4
137.00529	0.9
139.02095	0.4
145.01678	0.8
145.02834	16.9
145.06065	11.3
146.03140	0.4
147.02628	1.0
147.04417	0.5
149.00542	7.1
149.02345	0.6
151.02069	0.5
153.03639	0.8
153.06575	3.5
155.01576	2.0
155.08107	2.6
160.05042	0.5
163.02272	3.3
163.03883	100.0
164.04202	2.0
165.00026	2.5
167.01633	3.6
173.00534	0.5
175.02150	0.9
175.06230	0.6
177.03244	0.7
178.02614	1.0
179.01675	1.8
179.03177	0.4
180.06534	2.2
181.03146	1.2
181.04590	0.4
181.06126	0.7
183.01073	2.0
191.01604	4.6
192.99556	1.0
193.03162	0.7
195.01086	6.8
195.02762	0.2
196.01561	0.4
199.07112	3.6
202.03448	0.4
208.04280	1.1
209.02660	10.9
211.00558	2.8
211.07144	0.7
219.01038	2.2
226.05270	0.4
229.01601	0.5
236.03593	0.4
237.02129	7.3
254.04765	1.6
255.03247	3.5
266.04440	0.4
272.05838	12.1
274.10056	0.6
282.04306	0.6
286.04721	1.1
294.04227	1.3
301.03967	0.6
301.07059	4.1
311.06848	1.2
311.87283	0.4
312.05319	4.3
329.08130	0.4
338.06915	0.5
339.06479	0.4
340.04828	0.7
347.44714	0.3
352.79486	0.4
357.07538	0.7
358.05853	5.1
366.06323	0.4
375.08533	37.2
376.08899	1.4
383.09094	1.8
401.09973	0.7
411.08621	0.6
429.09537	4.8
434.09201	2.6
441.09561	0.6
453.12463	0.3
462.08569	6.8
486.11456	0.7
487.10275	0.6
504.05811	0.7
504.12762	10.2
505.12881	1.2
537.11798	1.8
591.12683	6.6
631.43341	0.4
666.15363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1862
Annotation	Isoscutellarein 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)-glucoside
Peak:m/z	Relative Intensity
53.40625	0.1
55.01801	0.4
66.13164	0.1
69.61774	0.5
83.06020	0.5
84.04423	0.6
84.04892	0.2
89.03846	0.5
90.22537	0.1
92.01639	0.2
111.05495	0.3
112.03895	0.3
117.03277	0.4
129.06599	0.8
130.04980	1.7
131.05263	0.3
135.04451	0.7
136.04691	0.3
145.02798	0.7
146.03151	0.3
147.04346	0.2
149.00529	0.3
150.02937	0.2
151.03828	0.2
163.02069	0.2
163.03877	4.6
164.04233	1.5
164.93217	0.1
165.01831	0.2
167.01450	0.2
167.89355	0.1
174.03091	0.2
191.01471	0.2
192.01935	0.2
195.01064	0.3
196.01395	0.3
201.05438	1.1
202.06236	1.8
209.02618	0.3
211.00444	0.3
213.05392	0.6
216.04196	0.2
229.04907	0.9
230.03963	0.2
230.05737	2.0
237.02129	0.5
238.02461	0.2
243.02959	0.2
244.03642	0.3
257.04501	0.9
258.05188	5.6
268.03723	0.8
269.04395	0.3
272.05786	0.2
285.03836	0.4
286.04669	19.9
287.05032	0.5
295.04385	0.2
301.07019	100.0
302.07315	2.5
343.04282	0.2
375.08459	1.0
376.09003	0.9
384.09253	0.2
463.12396	7.4
464.12802	0.2
469.41263	0.2
505.13666	5.2
538.11981	0.2
592.12848	0.3
667.18884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83782	0.5
68.43722	0.5
71.42384	0.5
73.02917	1.0
73.69333	0.5
76.43955	0.5
79.42952	0.5
85.02899	0.9
123.04424	0.7
137.05939	0.5
139.03766	0.6
155.03090	0.7
173.33859	0.6
185.04248	0.8
188.40488	0.6
215.05275	0.9
227.05339	1.1
243.04724	0.9
243.06871	0.6
245.06398	0.7
269.11450	0.7
271.05957	0.7
287.12463	3.1
311.65320	0.6
315.12122	1.1
317.08569	1.0
335.09622	0.7
359.09628	1.9
370.57196	0.5
375.09052	1.6
377.10666	2.8
403.08585	0.6
423.50589	0.6
431.16895	1.3
449.17963	1.4
463.19229	1.2
491.18958	2.5
563.20239	0.7
579.23950	1.0
581.22144	5.3
595.23419	4.1
623.23029	21.4
624.23114	1.7
638.67554	0.7
640.25403	0.6
667.22021	100.0
668.22632	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	667.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
61.59988	1.3
69.03459	1.5
69.20872	8.9
98.22732	3.0
103.05437	1.8
105.07040	6.4
107.75963	1.8
115.05502	1.7
122.03633	5.2
126.47934	1.3
127.63487	1.4
131.04936	3.5
133.06520	4.8
137.05971	58.6
143.06015	2.1
146.03642	6.0
151.07562	1.6
161.05966	60.2
162.06454	1.7
163.07510	3.1
169.06573	2.0
175.07549	26.0
177.05428	1.9
179.08617	2.6
181.06473	1.7
189.06908	1.5
194.07259	3.5
205.06483	2.6
205.10158	2.8
207.08090	2.7
215.08516	1.8
218.07269	2.5
219.08183	2.0
219.10207	4.3
221.05962	4.3
222.06787	3.4
222.99507	1.3
224.08347	2.2
233.09538	5.4
234.10341	2.9
235.07616	3.8
236.08315	2.1
237.05482	3.4
237.09113	5.1
239.10660	2.6
247.07477	1.7
249.05458	1.5
249.09029	1.7
250.06290	3.5
250.09921	3.6
251.06897	1.8
252.07811	3.8
253.08563	1.8
261.09109	6.6
263.07068	4.6
264.07831	4.3
265.08594	26.8
265.12473	1.9
267.10150	5.0
269.08194	2.5
277.08286	1.8
278.09375	5.8
279.10040	2.6
283.13336	2.1
284.10385	2.0
293.11731	13.7
297.11252	6.6
299.12854	2.5
311.12747	84.5
312.13211	2.5
325.14487	2.5
343.15384	100.0
344.15622	4.1
408.97351	1.8
419.60043	1.4
431.50586	1.5
571.34271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3296
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
52.95027	0.6
55.05519	0.9
57.03434	1.6
61.02923	3.5
67.05503	2.2
69.03429	1.5
70.24446	1.5
73.02914	2.6
79.05488	2.7
81.03425	2.8
81.07052	1.1
85.02911	4.2
91.03956	2.3
91.05487	2.4
93.07044	2.3
93.36760	0.7
95.04959	1.1
95.08588	0.8
97.02898	2.6
97.06526	0.7
97.10173	1.2
99.04445	0.7
101.02373	1.7
104.56179	0.6
105.07014	0.9
107.08603	1.8
109.10178	0.8
119.08682	0.8
121.10107	0.8
127.03938	1.3
133.10176	0.9
135.11705	2.8
145.05003	0.8
145.10179	0.9
147.11638	0.9
163.03911	1.7
216.43747	0.6
221.11563	1.4
239.05495	0.7
243.08498	1.5
251.12604	1.4
307.15387	0.7
439.19370	8.6
469.20459	5.2
635.23834	1.8
659.89648	0.8
667.32953	100.0
668.33484	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	667.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96733	0.3
69.03391	0.4
69.07065	8.6
69.83910	1.3
73.06539	0.5
83.04991	0.6
84.82630	0.4
86.09698	100.0
87.10046	0.8
88.88143	0.4
91.05469	8.1
97.06517	2.0
103.05455	3.5
105.03397	1.1
105.07023	0.6
106.06592	0.4
113.10717	0.6
114.09152	1.7
115.05452	0.4
115.07533	1.7
117.05754	0.6
118.06529	23.8
119.04917	1.6
119.07327	4.4
119.66568	0.3
120.08092	13.0
123.04417	0.8
126.09129	1.1
130.06497	1.2
132.08093	0.9
136.07565	6.5
140.10667	0.4
141.10210	1.4
144.08006	0.5
146.05994	51.7
147.04355	0.5
147.06291	0.9
158.06052	0.6
162.05481	2.5
164.07039	1.0
165.05457	0.9
167.08521	1.1
169.10144	1.0
174.12752	1.2
182.08131	2.7
182.15355	5.4
186.12813	2.2
188.14352	4.6
195.08112	0.8
200.16481	4.6
203.15347	0.4
204.13783	0.8
210.14838	1.5
214.12213	2.6
219.07970	0.5
223.07440	1.8
228.10063	0.7
228.15927	6.0
231.14879	7.2
232.13257	0.8
233.16457	4.5
236.10660	3.3
242.11731	1.2
247.14473	1.0
250.41631	0.4
259.14398	36.1
260.14673	0.9
265.08572	2.7
270.11237	1.3
275.13861	6.8
277.04868	0.4
277.15381	0.5
282.11209	2.9
290.63412	0.4
295.16428	4.7
299.13797	1.9
303.44666	0.4
309.11890	0.4
321.14520	3.0
329.22049	0.9
347.09827	0.4
355.20270	2.2
372.22665	1.5
373.21036	2.6
383.19382	1.2
395.19550	1.9
412.22134	0.8
440.21817	13.1
440.27841	0.7
441.22147	0.5
458.23016	0.5
468.21277	4.2
525.30487	0.6
536.21088	0.4
536.27527	3.9
553.30188	3.2
649.35962	5.2
667.19757	0.6
667.37280	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87732	0.7
65.82062	0.7
69.07069	8.9
69.87027	2.6
83.04995	1.0
86.09702	100.0
91.05462	8.8
97.06567	1.1
98.23448	0.9
101.57543	0.8
103.05465	3.5
105.03371	1.5
114.09144	1.7
118.06537	23.4
119.04989	1.4
119.07313	4.8
120.08118	12.4
123.04417	1.1
126.09146	0.9
130.06532	2.6
132.08104	1.7
136.07565	7.8
141.10225	3.1
144.08156	1.1
146.05998	45.7
162.05505	2.3
164.07080	1.8
165.05502	1.5
174.12802	1.5
182.08183	4.0
182.15367	4.3
186.12801	3.1
188.14322	10.1
196.18661	0.8
200.16449	3.8
204.13907	2.1
214.12273	4.0
223.07558	1.1
227.17610	1.3
228.10170	0.8
228.15936	4.9
231.14876	7.7
232.13390	1.6
232.15613	1.1
233.16527	6.9
236.10675	3.5
242.11893	1.5
243.14981	1.3
259.14392	38.3
260.14636	1.2
265.08517	1.6
270.11200	2.2
275.13876	4.1
282.11203	3.1
295.16513	7.4
299.13977	2.0
321.14267	4.4
329.22318	1.4
344.23218	0.9
355.20151	3.5
364.08044	1.0
372.22745	2.4
383.19739	2.5
395.19714	1.9
423.19162	1.2
440.21866	10.7
468.21289	12.1
476.38104	0.8
517.07465	0.8
536.27557	9.5
553.29962	6.9
649.36102	7.6
667.37085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68642	0.7
67.05477	1.1
79.05482	1.4
81.07059	0.9
88.32191	0.7
91.05482	3.0
93.07013	1.7
95.04967	1.8
105.07044	2.7
107.87245	0.8
114.16915	0.8
117.06982	1.4
129.07021	1.5
131.08566	1.6
133.06505	1.0
145.10123	2.7
155.08571	1.3
173.09540	1.5
205.58780	0.8
219.13504	0.9
223.09399	19.5
241.48206	0.7
248.26518	0.7
253.11955	1.2
271.13034	16.5
272.13754	0.7
467.27618	100.0
468.27936	5.5
523.80426	0.8
647.27094	0.9
667.38873	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	667.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23764	1.6
53.79466	1.7
55.05509	4.0
66.50787	2.2
67.05511	10.0
67.24239	1.8
68.05123	1.6
69.03429	12.4
69.07051	5.0
69.45719	7.1
79.05487	8.9
81.03406	6.7
81.07049	18.4
83.04948	3.1
83.08591	2.8
85.02887	5.4
91.05473	10.0
93.07040	15.7
95.04958	11.5
95.08587	19.1
96.08128	1.7
97.06527	3.0
97.10178	2.2
98.23424	3.0
99.04443	5.2
102.26921	1.6
105.07026	22.2
107.08592	19.5
109.03572	1.7
109.06468	3.2
109.10146	13.7
111.08083	1.9
117.06993	4.9
119.08573	28.6
121.10132	17.8
123.11714	3.4
129.06932	2.8
131.08531	15.4
133.10115	19.0
135.04417	3.0
135.11670	6.8
137.05989	2.2
142.07771	2.5
143.08548	7.4
145.10129	16.7
147.11673	12.4
149.13312	2.8
153.09029	2.1
157.10100	9.9
159.11699	16.7
161.13213	14.3
163.03935	8.5
163.14812	8.8
169.10168	2.2
171.11642	6.7
173.13268	7.9
175.14835	8.7
177.16422	6.4
183.11693	2.2
185.13222	5.2
187.14803	15.4
189.16374	20.4
191.14346	3.4
191.17896	2.3
193.12170	2.4
197.13266	3.5
199.14740	10.5
201.16367	16.0
203.14308	5.3
203.17990	5.1
205.15919	4.0
213.16405	6.0
215.17900	13.6
217.15900	10.8
233.15321	3.2
235.16931	6.3
241.19431	2.4
243.20966	2.2
247.16936	3.4
267.15814	2.5
355.26257	2.8
382.20938	2.0
405.31744	8.3
421.25793	2.2
423.32568	9.9
433.30884	2.2
439.32053	14.7
442.33856	2.7
451.31973	10.7
469.33118	100.0
470.33411	8.2
487.34134	6.5
545.25623	1.8
604.39130	2.2
667.32318	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	668.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.3
57.03423	1.9
61.02924	3.4
67.05486	13.3
69.03417	5.4
69.07056	10.6
79.05474	9.6
81.03402	2.3
81.07048	30.4
82.07377	2.1
83.04988	6.0
83.08620	7.7
85.02897	17.5
91.05460	14.6
93.07043	31.8
95.04948	2.4
95.08598	55.9
97.02877	5.0
97.06530	2.2
97.10164	3.2
105.07020	37.2
107.08582	54.9
109.02822	1.8
109.06516	3.8
109.10153	30.3
111.08064	9.2
117.07021	5.3
119.08563	53.2
121.06498	2.7
121.10129	33.1
123.08090	2.9
123.11702	13.3
125.09625	24.0
127.03899	4.6
129.07034	2.7
129.84604	1.7
131.08559	24.8
133.10110	41.4
133.11018	3.1
135.08076	2.4
135.11674	18.3
137.09648	4.6
137.13293	1.9
143.08525	7.1
145.04921	2.0
145.10106	51.0
147.11668	31.3
149.09637	2.7
149.13274	15.2
151.11154	2.5
152.05629	1.8
156.09332	2.2
157.10109	10.4
159.11667	31.5
161.09662	3.7
161.13235	19.9
163.11183	3.3
163.14777	17.5
167.10701	2.2
169.10143	2.7
171.11635	9.7
173.13251	32.7
175.11215	1.8
175.14812	33.3
177.12941	2.0
177.16357	30.7
180.08711	4.3
185.13281	6.0
187.14801	63.9
187.16513	3.2
188.15141	2.1
189.12849	4.5
189.16371	47.4
189.18015	3.6
191.14352	12.1
191.16376	2.4
191.17914	15.2
193.16011	1.9
197.13217	2.2
199.14804	18.0
201.16353	51.1
203.14342	7.3
203.17937	50.4
205.15857	100.0
205.19568	4.7
207.17358	3.1
209.15343	2.2
211.14722	3.3
213.16365	24.0
215.17903	19.8
217.15863	8.2
217.19501	2.5
219.13918	2.1
219.17453	11.3
221.15433	4.3
223.16872	7.3
227.17906	5.5
229.15579	2.4
229.19475	2.6
231.17419	5.5
233.19017	3.9
235.16881	7.7
239.09569	1.7
239.18098	3.0
241.19525	4.3
243.17168	1.9
243.21092	1.9
247.16922	10.9
249.18463	6.5
255.21074	4.0
259.20581	1.8
261.18500	4.8
267.21078	4.6
275.20044	1.6
281.22540	2.3
286.27295	1.9
341.24542	4.1
377.32178	3.7
379.33603	2.8
389.32004	13.9
395.33359	4.4
398.21924	1.7
407.27957	3.5
407.33032	49.9
408.33606	2.8
409.34610	5.5
423.32312	8.8
425.34158	10.7
435.32544	30.2
441.33533	4.7
443.35120	5.9
453.33646	50.1
454.33942	3.3
471.34964	2.1
615.38477	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	668.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56862	1.4
55.05509	6.5
57.03439	2.0
57.07063	3.2
61.02929	13.1
67.05502	11.5
69.03418	4.6
69.03769	1.5
69.07063	11.9
73.02903	3.6
79.05483	10.5
81.07047	30.5
81.07497	2.3
83.04977	7.3
83.08619	6.5
83.22970	1.5
85.02901	15.6
91.03941	6.5
91.05476	14.7
93.07043	23.5
94.40154	1.7
95.04967	3.6
95.08598	46.3
96.08942	1.5
97.02888	5.9
97.06519	2.6
97.10175	4.4
98.23616	2.7
99.08096	1.6
105.07030	27.4
106.02671	1.6
107.08584	37.1
109.02869	2.5
109.06536	3.5
109.10152	25.1
111.04446	2.2
111.08118	3.8
117.03358	1.9
117.07032	6.0
119.08573	41.4
121.10135	26.7
123.08064	2.3
123.11692	16.9
125.09647	11.3
127.03870	2.9
131.04904	2.1
131.08549	18.6
133.10132	30.5
135.04405	1.9
135.08020	2.2
135.11670	12.7
143.08551	4.9
145.02873	2.5
145.04942	2.7
145.10098	35.0
147.11681	27.7
149.13249	15.7
151.11221	2.3
153.09154	2.2
157.10077	8.9
159.11674	23.4
161.09599	4.6
161.13234	17.9
163.03868	8.0
163.14799	14.0
169.10078	2.7
171.11728	5.6
172.12167	2.1
173.13239	25.0
175.14809	29.6
177.05486	1.9
177.12752	2.1
177.16385	26.1
180.08670	4.0
185.13261	6.5
187.14810	55.0
189.12790	2.1
189.16364	34.3
191.14316	9.9
191.17917	10.1
193.15784	1.7
199.14755	9.2
201.16364	36.4
203.14326	7.3
203.17932	39.5
204.18304	1.6
205.15868	100.0
205.19571	5.5
206.16193	2.5
207.17435	6.1
209.15540	2.0
213.16347	15.1
215.17879	10.2
217.15891	5.7
217.19469	3.1
219.17407	6.8
221.15347	6.1
223.16917	8.4
227.18007	3.6
229.19492	2.2
231.17532	3.8
231.54155	1.9
233.15199	2.0
235.16875	4.9
241.19571	4.3
243.21013	3.0
247.17004	6.8
249.18527	7.3
255.21167	2.4
261.18433	2.9
267.20901	2.3
367.29852	1.8
377.32062	5.4
379.33560	2.9
389.32144	10.2
395.33127	5.6
407.33057	40.5
408.33414	2.3
409.34726	3.9
423.32483	7.5
425.34338	12.5
426.34271	1.9
435.32568	23.9
441.33975	4.0
441.53381	1.7
443.34955	9.2
453.33606	52.8
454.33975	3.4
471.34613	3.9
489.36316	2.5
615.38562	3.3
668.39990	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88866	6.0
52.50146	5.4
69.07077	5.5
71.42580	6.2
81.07038	17.6
83.08580	6.8
85.02915	12.6
93.07013	21.8
95.08619	30.2
99.71781	5.4
105.06996	13.9
105.92316	5.1
107.08578	37.3
109.10165	15.9
119.08571	36.6
121.10138	24.7
131.08565	16.9
133.10127	24.0
135.08089	6.3
135.11667	16.2
145.10097	40.6
147.11676	17.3
149.02245	5.3
149.13216	9.0
159.11739	33.0
161.13248	16.5
163.03960	5.2
163.11206	17.3
163.14809	10.0
173.13235	12.2
174.90729	5.9
175.14879	23.8
177.16348	20.2
180.08681	6.6
186.16925	6.1
187.14816	37.3
189.16342	45.1
191.17984	9.0
192.23978	6.4
201.16406	92.4
203.17915	17.5
205.15860	100.0
207.17455	32.9
215.17896	11.8
219.17444	10.7
223.16855	13.6
238.42349	5.9
241.19504	12.3
247.16917	18.0
368.93375	5.9
407.33041	71.3
425.34103	76.9
435.32483	17.9
443.35184	11.8
453.33444	20.1
471.34491	16.0
489.35678	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	669.1811
Annotation	Okanin 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)
Peak:m/z	Relative Intensity
50.88367	0.2
53.03939	0.3
65.03930	1.0
67.05482	0.4
69.03425	1.1
69.38708	0.2
71.04987	0.3
79.05479	0.4
81.03410	3.1
81.07047	0.8
85.02911	1.1
89.03913	0.9
91.05476	9.6
91.98238	0.2
93.07034	0.8
95.04958	0.3
95.08601	0.6
97.02874	0.6
97.91214	0.2
99.04450	0.4
105.07027	0.5
107.04954	0.4
107.08565	0.8
107.33244	0.3
109.02862	1.4
109.10139	0.5
111.04472	0.4
117.03344	0.8
119.04939	19.8
119.08578	0.7
120.05251	0.4
120.08890	0.3
121.02916	0.2
121.10176	0.3
122.03631	0.4
125.09612	0.6
127.03938	0.4
133.10086	0.3
135.04399	1.7
137.02966	0.2
137.05966	5.3
138.09106	0.5
143.70100	0.3
145.02798	1.3
145.10135	0.3
147.04399	100.0
148.04730	2.2
151.03894	0.5
151.05034	0.3
157.10110	0.3
159.11682	0.5
160.12054	0.2
161.05928	0.5
163.03900	8.4
165.05470	4.2
166.08652	0.4
171.11714	0.3
187.14821	0.4
197.13208	0.3
200.15350	0.4
201.16324	0.3
291.08633	4.1
309.09784	1.9
327.12454	0.3
357.13260	2.8
358.54370	0.3
406.31808	0.5
407.32336	0.3
434.18295	0.4
434.31412	0.4
452.32233	0.5
507.19577	0.4
549.93207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02379	0.3
53.03939	1.0
55.01876	2.7
57.03428	0.9
61.02941	0.7
68.99774	0.5
69.03426	4.2
70.25288	0.6
71.05001	1.0
73.02917	1.4
77.03918	0.3
79.05502	0.3
80.05006	0.3
80.72573	0.3
81.03416	4.2
82.07005	0.3
83.53895	0.2
85.02902	10.0
87.00821	4.0
91.03973	0.3
91.05474	0.3
95.04958	1.3
97.02891	3.9
99.04459	2.9
102.04681	0.3
103.05463	36.1
104.05788	0.4
105.01865	2.8
105.04541	0.4
105.07094	0.4
107.04945	0.6
108.04462	1.3
109.02876	4.5
109.06469	0.3
114.47270	0.3
115.05470	0.5
117.01817	0.7
121.02865	0.5
123.04424	1.0
126.05569	0.5
127.03913	7.0
129.01831	0.7
131.04921	100.0
132.05263	1.7
133.06488	0.8
137.06000	2.0
139.03963	0.3
145.04955	3.0
145.06372	0.4
147.02936	0.4
153.05461	0.4
153.26854	0.2
155.07027	0.4
159.02885	2.4
161.05978	1.1
163.03871	0.8
163.07533	51.0
164.07887	0.7
165.05458	0.4
167.07077	2.0
172.05167	0.6
173.06032	0.4
175.07533	0.6
177.04019	0.3
177.05412	0.3
179.07040	0.3
181.04979	0.3
183.06512	0.8
189.05414	2.0
191.07025	0.5
193.08615	0.3
200.04749	0.4
203.06987	0.4
205.08664	0.6
206.05750	0.9
207.06454	0.6
207.10231	0.5
207.68039	0.3
209.08089	0.3
218.05647	1.3
221.08069	3.5
225.07593	0.6
230.06563	0.5
231.04933	1.6
233.08075	13.2
234.08308	0.5
235.09776	1.3
245.08130	0.5
248.07639	0.6
249.05641	0.3
251.09171	3.9
253.10611	0.3
263.09164	4.9
278.46188	0.3
281.10330	0.3
367.25150	0.3
387.14221	0.9
404.51782	0.3
427.50317	0.3
465.71558	0.3
487.02777	0.3
536.41742	0.3
544.60406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77967	0.3
54.78898	0.3
55.17042	0.3
56.36409	0.3
69.81488	0.3
69.81811	0.9
80.60780	0.3
140.26007	0.4
186.06906	0.3
195.45695	0.4
261.02188	0.4
272.01428	0.9
273.02130	0.3
274.03000	0.4
275.03461	0.5
287.03793	0.6
288.04541	0.4
289.01657	0.4
297.01920	0.4
299.03613	0.6
336.99048	0.3
353.08386	0.8
354.09314	0.4
355.10059	0.7
356.10770	1.1
357.11652	0.6
371.09384	2.5
372.09998	0.4
374.11905	0.9
385.11322	0.5
387.12589	2.2
388.13153	1.8
403.12183	1.3
406.14603	0.9
495.16312	0.4
506.15457	2.8
507.16617	0.5
508.17102	0.8
520.17017	0.7
521.17590	0.4
522.18677	1.6
523.15802	0.9
524.16821	0.9
525.16602	0.4
526.18701	0.3
534.18817	1.5
535.18665	0.6
537.70764	0.3
538.18164	0.7
540.19580	0.6
542.17804	0.3
548.20068	1.0
551.18756	0.8
553.20190	0.6
554.17487	2.0
555.17291	0.3
556.19434	0.4
576.23193	0.7
582.20569	1.1
590.24689	2.5
591.25592	1.3
593.23975	0.4
606.24127	0.8
608.25940	0.9
621.26593	2.8
622.27203	2.8
623.24542	0.7
626.27234	0.5
638.26007	0.4
639.27679	16.1
640.28278	1.7
670.29480	100.0
671.29675	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	671.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
55.01857	1.6
59.84733	0.6
60.69168	0.6
63.20963	0.5
63.63310	0.6
65.03931	4.0
67.05498	1.7
69.77094	2.6
70.35388	0.6
75.37949	0.6
75.55140	0.6
77.03927	2.8
78.04694	1.0
79.05473	1.3
81.03394	1.5
89.03939	1.0
91.05463	2.9
93.03394	2.3
94.04175	1.8
95.04958	4.4
103.05450	1.0
105.03388	4.0
105.04485	1.2
106.04208	0.6
107.04951	4.2
109.02827	1.5
111.04424	5.9
115.05431	0.8
117.03396	0.8
119.04927	0.9
121.02865	5.0
122.03643	5.7
123.04420	100.0
124.04747	1.1
131.04921	3.0
133.02844	1.9
134.03621	8.1
135.04405	14.6
137.02333	16.7
137.03343	1.0
139.03873	9.0
141.06952	8.1
147.04379	8.2
149.02304	6.6
150.03105	17.4
151.03847	1.1
152.06209	1.4
153.06889	0.6
154.02577	1.9
159.04436	4.6
160.05141	0.8
163.03888	53.1
164.04251	1.3
164.05908	0.7
165.06990	6.9
167.04904	0.7
167.08566	2.3
168.05714	1.1
169.06473	14.4
173.02292	0.7
175.03885	3.0
176.04694	0.8
176.06160	1.0
177.05476	1.2
177.06966	2.2
181.04980	7.4
181.06421	1.5
183.08083	1.2
187.03917	3.4
187.07532	2.6
191.03372	13.8
193.06494	4.5
194.07248	2.2
195.08073	2.7
196.05234	0.9
197.05968	19.3
198.06503	1.0
203.03381	2.9
205.04764	1.1
205.06470	8.9
209.04443	14.0
209.06300	1.2
211.07533	3.6
213.05472	2.6
215.07019	6.9
221.05942	14.8
222.06706	2.2
223.07521	27.0
224.07747	0.9
225.05453	6.3
231.02972	2.0
233.05943	8.5
237.05440	0.8
239.06999	18.6
242.05725	25.9
243.06331	4.5
249.05447	19.5
249.07941	1.4
250.06160	2.7
251.07018	13.8
251.09599	0.9
252.07567	0.9
253.04936	5.6
255.06485	2.6
257.07974	0.9
261.05597	1.2
263.06989	0.7
266.05734	0.9
267.06482	17.0
268.07278	72.0
269.04819	1.1
269.07950	9.0
271.05981	67.0
272.06375	1.8
275.20248	0.9
277.04889	10.6
278.05722	0.7
279.06329	5.4
281.04431	2.8
283.06036	0.9
285.07547	55.9
286.07831	2.0
293.04410	0.8
294.04929	1.1
295.05972	21.7
296.06168	1.4
297.04117	0.8
297.07306	1.5
312.06210	1.6
313.07037	32.9
314.07324	1.3
319.06100	1.1
323.05411	11.7
325.08499	1.3
331.08115	10.5
337.08051	2.3
341.06635	2.8
353.08090	2.0
355.08685	1.2
357.05521	0.7
365.07581	1.1
381.07632	2.5
382.08011	0.8
383.08548	1.6
395.09036	1.1
399.08527	3.0
401.10193	2.1
409.07199	1.0
411.08640	2.6
412.09305	1.9
417.09595	0.8
427.08130	6.4
429.09695	2.0
445.09396	1.8
455.07562	3.8
457.09058	1.0
473.08670	2.3
493.12155	0.7
521.10809	2.0
583.23260	2.9
625.13239	1.3
627.14624	2.6
635.12500	1.0
637.49933	0.7
653.12848	58.1
654.13300	4.5
667.55530	0.7
671.13733	60.6
672.14264	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	671.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
54.03148	0.5
55.01844	1.6
65.03918	0.8
68.99744	0.6
71.01324	0.5
77.03909	1.4
79.05454	1.4
81.03403	2.6
84.22879	0.5
91.05471	4.8
93.03379	1.0
95.01283	0.7
95.04962	2.7
96.16525	0.5
97.02847	2.0
102.62522	0.5
103.05432	1.4
105.03352	2.1
105.04470	1.6
107.01270	2.0
107.04917	1.2
109.02825	2.2
111.02289	0.5
111.04428	1.1
114.96070	0.6
115.05434	3.1
117.07022	0.9
118.04138	1.5
119.04895	1.9
121.02862	4.9
123.03500	1.0
123.04417	19.9
124.04740	0.6
125.02348	17.8
127.03885	0.8
131.04906	3.3
133.02829	4.7
134.03574	1.7
135.04404	5.5
137.02345	47.8
137.03407	5.3
138.02681	0.8
139.03868	2.8
141.05904	1.1
141.06978	19.0
142.07246	0.7
143.04897	1.3
145.06456	0.8
147.04404	6.2
149.02298	3.4
150.03116	5.4
152.06239	2.7
153.06926	1.8
155.08501	0.6
159.04442	3.7
159.08023	1.1
160.05183	0.9
161.02271	2.6
161.05833	0.7
163.03894	8.3
165.01865	0.9
165.06982	11.9
166.07800	0.6
167.08572	4.4
168.05663	1.7
169.06477	33.3
170.06717	0.7
175.03819	2.7
176.06200	2.1
177.05530	0.9
177.06958	3.4
181.04955	0.8
181.06448	1.7
183.07988	1.3
187.03912	5.6
187.07513	4.8
191.03389	1.6
193.06479	9.4
194.07164	1.1
195.08009	5.3
197.05963	23.8
198.06384	0.7
203.03334	1.2
205.04890	1.9
205.06506	12.7
206.06865	0.7
209.04372	2.6
211.07501	3.8
213.01904	0.8
213.05347	1.8
213.08804	0.7
215.04910	1.0
215.07004	21.8
221.05946	19.5
222.06557	2.0
223.07527	43.3
224.07869	1.9
225.05457	10.6
226.06076	1.1
227.06950	0.6
230.45155	0.6
231.02853	9.4
233.05954	14.0
234.06581	0.6
239.07001	20.9
240.07570	1.8
241.08513	1.7
242.05806	3.1
243.06490	9.1
249.05458	30.0
250.06117	2.6
250.81815	0.5
251.07019	34.5
252.04257	1.1
252.07268	1.2
253.04961	4.0
255.06459	2.6
257.08038	1.2
257.76428	0.6
261.05341	0.8
262.06082	0.5
265.04837	0.6
266.05566	0.8
267.06488	25.2
268.07159	5.8
269.04993	1.0
269.08051	17.9
270.08060	0.8
271.05978	84.9
272.06265	2.6
277.04916	20.1
278.05576	1.6
279.06488	4.6
281.04245	2.9
283.05942	1.4
285.07559	14.8
285.10748	0.8
286.08044	0.6
294.05286	1.0
295.05978	36.4
296.06357	1.1
297.07455	3.3
305.04343	0.8
313.07028	100.0
314.07419	4.3
319.06046	0.7
321.03836	1.4
323.05450	25.3
324.06094	0.7
331.08142	7.6
336.31189	0.5
337.06995	1.2
341.06622	6.0
357.05969	1.6
381.07520	0.7
383.07532	0.7
387.08356	0.8
393.06262	0.6
399.08670	0.6
409.06998	0.6
410.07352	0.6
411.07767	0.6
427.08075	4.3
429.09549	1.4
455.07382	2.6
473.08685	2.5
543.09430	1.0
579.12775	0.6
607.11926	0.8
625.13702	1.2
653.12848	33.6
654.13086	2.4
671.13849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33624	1.0
52.79193	0.9
55.01850	2.2
65.03915	1.3
68.99754	1.0
71.19704	1.0
76.32363	1.1
79.05464	1.4
81.03387	3.1
91.05450	5.9
95.01304	1.1
95.04967	4.2
97.02852	2.4
103.05473	2.9
105.03371	2.9
105.04522	2.2
107.01324	1.8
107.04944	3.7
109.02884	2.1
111.04436	2.0
115.05438	4.0
117.07060	1.5
118.04172	1.7
119.04949	2.1
121.02845	6.7
123.04422	37.9
125.02356	19.1
127.03960	1.1
129.07010	1.3
131.04904	6.7
133.02795	5.4
134.03639	2.6
135.04393	10.9
137.02344	47.7
137.03453	4.9
139.03889	4.1
141.06973	27.3
143.04970	1.7
147.04411	10.1
149.02328	6.5
150.03105	9.4
151.03903	2.5
152.06186	3.8
153.06966	2.1
155.08594	1.5
159.04378	7.5
159.07999	1.1
160.05235	5.2
161.02342	2.0
161.05981	1.3
163.03915	17.7
165.06970	13.8
167.08563	5.1
168.05830	1.0
168.12279	1.0
169.06476	42.1
173.05931	1.2
175.03845	5.3
176.06194	2.9
177.05566	1.8
177.06981	4.9
179.03377	3.0
181.04979	2.6
181.06477	3.4
183.08046	1.2
187.03893	8.9
187.07565	8.2
191.03395	2.2
193.06502	9.2
194.07191	1.2
195.08025	5.1
196.05115	1.0
197.05956	34.4
198.06488	1.3
203.03413	1.5
205.04933	1.4
205.06509	14.2
209.04437	3.5
211.07541	7.8
213.05501	2.1
215.07007	25.5
221.05960	26.3
222.06635	1.7
223.07530	46.5
224.08066	1.8
225.05406	12.5
226.06259	1.5
230.79086	1.0
231.02814	9.0
233.05986	17.6
235.07419	2.0
237.05385	2.6
239.07019	20.2
240.07681	2.6
241.08563	1.4
242.05676	6.6
243.06490	9.5
247.07526	1.3
249.05457	37.5
249.09344	1.4
250.06003	3.2
251.07019	36.6
252.04152	1.6
252.07436	1.7
253.04790	6.5
255.06540	3.7
261.05045	1.3
266.05826	1.2
267.06503	24.5
268.07217	11.2
269.04852	1.9
269.08047	19.9
271.05991	94.4
272.06232	3.5
277.04938	21.6
277.07956	2.2
278.05756	1.2
279.06470	8.1
281.04498	4.3
285.07474	18.8
291.06659	1.4
295.06009	43.1
296.06418	2.1
297.07587	3.5
303.19659	1.6
305.04364	1.9
309.07681	1.3
311.05661	1.2
313.07047	100.0
313.10349	4.8
313.14484	3.9
314.07318	3.3
323.05453	25.6
331.08142	9.3
337.06946	6.0
341.06580	6.4
341.13953	2.1
353.07831	1.3
357.06219	2.1
381.07709	1.3
382.08221	1.4
383.08337	1.7
399.08377	2.1
401.09769	1.5
427.08340	7.3
429.09598	3.0
445.09167	2.0
445.14771	8.9
455.07480	2.0
473.08582	2.8
563.13025	1.2
579.12665	1.8
607.12689	1.3
625.12994	2.4
653.12823	42.3
654.13092	2.4
671.13397	5.9
671.23572	4.7
697.61371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65656	0.6
53.03936	1.2
55.05511	8.4
57.03434	4.2
65.03928	1.6
67.05498	29.9
69.03452	0.9
69.07062	10.5
69.08822	0.8
69.74149	1.7
71.04987	2.0
73.06556	0.9
77.03916	0.8
79.05488	31.7
81.03400	3.0
81.07049	34.5
83.04980	6.7
83.08618	5.5
85.02896	1.4
85.06530	3.1
91.05475	21.7
93.07037	39.9
95.04958	7.7
95.08591	13.7
97.06532	5.1
97.10175	1.5
99.08077	1.0
105.04510	2.2
105.07024	14.1
107.04951	1.9
107.08593	13.5
109.06502	3.0
109.10149	1.9
111.08070	2.5
115.05424	0.7
117.07002	4.5
119.08562	9.1
119.18159	0.8
121.06503	1.5
121.10128	6.4
123.08066	1.7
127.07579	0.9
128.06213	0.9
129.07014	6.7
131.08556	3.8
133.10143	5.7
135.11713	2.8
137.84814	0.8
143.08519	3.9
145.10124	2.8
147.11690	12.4
149.13249	10.6
159.11620	4.1
161.09607	1.2
161.13231	4.5
163.31207	0.8
171.11679	9.1
177.12767	2.2
189.12749	3.6
195.13802	3.4
207.13776	10.6
225.14990	1.3
248.01143	0.8
269.17441	29.1
275.04742	0.9
281.17447	23.1
281.20468	1.4
475.30518	100.0
476.31009	7.1
643.15839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.1
57.03432	4.6
57.07072	36.0
57.32151	1.2
59.36433	1.1
61.02924	8.9
62.18357	1.0
67.05498	11.2
69.03429	1.8
69.07058	7.0
71.08622	27.0
73.02905	4.5
75.04486	2.3
79.05503	1.9
81.07050	16.8
82.26000	1.2
83.08617	10.0
85.02891	13.8
85.10172	15.6
91.03945	12.8
91.05487	1.6
95.08598	21.3
96.92239	5.9
97.02907	6.8
97.10159	5.1
109.10149	11.3
109.98313	1.3
111.11780	2.2
123.11698	5.9
127.03896	3.3
137.13261	2.1
145.04956	4.1
151.14821	1.7
163.05994	8.8
239.23680	24.2
257.24719	5.4
313.27328	100.0
314.27621	3.6
331.28375	25.7
475.32617	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31517	0.9
51.66739	0.8
55.05507	4.4
56.27677	0.8
57.03433	3.6
57.07071	36.9
61.02919	12.6
67.05499	7.1
69.03433	1.4
69.07060	7.1
71.08627	24.1
73.02907	4.4
75.04469	1.6
78.30401	0.9
81.03420	1.1
81.07053	12.1
81.40490	0.8
83.08611	10.2
85.02902	16.5
85.10168	14.1
91.03951	13.1
95.08598	20.2
97.02895	7.1
97.10159	6.1
99.11729	1.2
109.10143	9.7
111.11719	2.1
123.11697	4.6
125.13315	1.0
127.03880	4.6
137.13226	2.4
145.04955	7.1
158.18457	1.0
161.91095	0.9
163.06013	9.7
163.14079	1.0
215.89403	0.8
221.22606	1.0
234.10062	1.2
239.23692	20.3
251.95692	1.0
257.24771	3.6
261.09091	2.7
262.09552	1.1
313.27332	100.0
314.27621	2.9
331.28391	32.4
332.28806	0.9
350.67593	0.9
394.04202	1.4
657.13788	1.0
675.96515	1.0
690.27838	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
59.89340	1.1
63.02375	0.9
65.03937	15.3
67.05497	2.3
79.05479	3.9
81.07056	1.5
89.03903	4.7
91.05463	9.2
93.03390	15.3
95.04958	2.7
103.05433	1.2
105.03390	1.4
105.07054	1.3
107.04939	22.3
111.04432	63.0
115.05444	11.7
117.03368	3.2
119.04915	3.9
123.04420	39.5
128.02985	1.1
131.04909	2.2
133.06494	1.1
135.04404	65.2
136.04713	1.0
137.02339	10.8
137.05949	3.6
139.03886	100.0
139.23001	1.2
141.06989	1.6
143.04907	10.8
145.02768	2.6
147.04372	3.5
151.03893	1.0
153.05449	3.2
153.06850	0.9
156.35770	1.2
159.04332	1.3
161.05971	19.8
163.03894	34.0
164.04243	1.3
165.06996	4.8
167.08545	1.4
169.06480	1.6
177.05467	1.3
177.06961	1.2
181.04944	60.6
187.03931	6.7
189.06984	1.2
193.06398	6.0
197.05969	5.3
203.03409	5.9
205.04927	9.0
205.06537	4.5
206.07092	1.2
211.07454	3.0
213.01854	4.4
215.06940	1.7
219.08018	1.3
221.05940	25.5
223.07494	7.6
225.05511	9.2
231.02927	5.3
231.06516	3.1
233.05933	4.4
234.06493	1.7
235.07359	1.6
237.05420	1.2
239.07040	8.0
243.06534	4.1
247.07567	4.1
249.05440	38.9
250.06018	3.8
251.07036	9.7
252.04068	2.1
253.04941	9.2
253.07300	1.0
253.08183	0.9
255.06418	5.3
261.05600	1.4
263.06924	2.5
266.05585	1.6
267.06470	15.8
267.11145	1.8
268.07214	3.0
269.04633	1.8
269.08060	6.4
271.05969	20.4
272.06409	1.5
273.52673	1.1
275.07089	3.7
277.04910	22.3
277.62372	1.1
278.05524	2.1
279.06500	19.0
280.06979	1.2
281.04404	6.9
291.06296	1.4
293.08096	3.7
295.05978	58.4
296.06247	1.7
297.07535	5.0
305.04510	2.5
307.05994	3.5
309.07693	2.4
313.06976	6.4
319.06070	2.8
321.08646	1.3
323.05457	66.4
324.05869	3.1
325.07037	6.0
335.05536	1.5
337.06851	2.7
339.10010	1.6
341.06470	12.0
353.06650	2.7
355.09659	2.5
365.06787	5.0
367.09589	2.7
383.08987	4.4
385.10629	2.5
387.08533	3.7
393.07446	1.4
395.09082	2.8
401.09979	2.3
403.11731	1.9
411.08859	5.1
413.10001	3.5
415.07849	1.7
429.09644	9.0
431.11368	1.8
439.08261	2.2
447.10748	10.5
457.09079	3.2
475.10132	3.7
493.10925	3.3
521.10822	10.8
548.16516	1.1
629.30914	3.7
655.13751	1.1
656.21082	1.4
673.29626	8.5
673.39240	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	673.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26271	0.7
52.59002	0.8
55.05505	1.1
56.39944	1.0
65.03936	2.1
65.64287	1.1
67.05502	2.2
67.60073	0.9
69.03411	1.2
69.23843	5.6
73.02876	1.0
75.92191	0.9
79.05460	1.9
81.03394	2.0
81.07036	1.2
85.02895	1.2
88.07284	0.9
89.03905	7.6
91.05471	2.0
93.03402	1.5
95.04936	1.5
97.02869	1.0
97.10161	1.0
98.23479	1.6
102.47274	0.9
105.01887	1.5
105.03374	1.2
107.04932	3.5
107.08588	1.5
111.04424	5.6
115.05412	1.2
117.03366	8.0
117.07091	0.8
119.08590	0.9
123.04420	11.4
127.03884	1.3
128.43895	0.9
129.06941	1.5
129.63966	0.8
133.02827	5.2
135.04398	21.0
137.02330	1.8
139.03871	9.6
145.02803	11.7
151.03900	4.8
160.05147	1.9
163.03886	100.0
164.04279	2.3
173.02332	2.6
181.04961	4.2
191.03363	3.7
206.18243	1.0
221.05916	1.5
239.06958	1.0
249.05440	1.4
251.06963	1.7
267.06390	2.4
268.07294	3.5
283.10843	1.3
295.06012	10.8
296.06674	1.1
301.11905	2.1
313.07080	6.0
314.07587	1.3
321.07510	1.2
359.07544	4.2
361.09299	2.1
361.14294	3.5
365.06674	1.1
413.17715	1.7
429.09299	1.5
447.21683	2.0
457.25766	1.7
458.26282	1.2
493.11133	4.6
550.22693	1.0
654.46747	1.0
673.26196	4.1
673.34302	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	673.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78247	0.8
54.89057	0.9
56.61377	0.8
79.05485	2.0
85.22796	0.8
85.71605	0.8
88.87842	0.8
89.03904	6.4
93.03361	1.1
105.39246	1.2
107.04964	2.7
111.04430	2.3
117.03378	8.1
123.04436	7.8
124.68738	0.9
135.04411	19.7
135.05351	1.4
137.02345	1.3
139.03909	3.9
145.02831	11.2
147.04398	1.7
151.03960	1.2
163.03899	100.0
164.04230	1.6
173.02390	1.8
181.04974	2.1
191.03366	2.1
249.05333	1.5
255.06639	1.4
267.06589	1.8
268.07321	3.8
269.07932	1.2
280.74649	0.9
285.07654	1.2
295.05988	7.5
313.06998	2.6
314.07672	1.6
429.09842	1.8
493.11145	1.5
608.62341	1.0
673.30426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01862	1.3
65.03938	14.9
67.05467	0.6
69.19104	2.3
69.19511	1.4
75.81464	0.7
77.03909	1.9
79.05495	3.7
80.92918	0.5
81.03401	0.8
89.03899	3.4
91.05476	11.0
93.03395	25.2
95.04976	3.1
99.54276	0.6
103.05428	0.6
105.03410	1.0
105.04508	1.7
107.04945	23.4
111.04433	65.7
112.04737	0.7
115.05441	15.3
117.03369	2.2
119.04926	4.0
123.04420	45.9
125.78721	0.6
131.04933	2.3
133.06490	0.8
135.04404	62.8
136.04663	0.8
137.02341	11.6
137.03378	1.1
137.05952	2.6
139.03888	100.0
140.04259	1.5
141.06923	0.7
143.04904	12.3
147.04420	3.1
153.05452	3.4
153.06912	1.1
159.04419	2.1
161.05963	25.5
161.86801	0.6
163.03888	22.3
165.06981	7.0
169.06485	2.1
175.03867	1.4
176.06259	0.7
177.05481	1.4
177.06970	1.7
181.04942	63.4
182.05206	0.9
183.08063	0.7
187.03851	6.3
189.06924	0.7
191.03427	1.1
191.08620	1.0
193.06488	5.2
195.07922	1.2
197.05969	5.8
203.03360	6.3
205.04932	12.8
205.06548	4.6
207.08005	0.7
209.04388	1.2
211.07501	3.6
211.32315	0.6
213.00052	0.8
213.01854	3.7
213.05502	1.0
215.06992	2.5
217.06519	0.8
218.07393	0.7
219.08040	1.1
221.05960	26.6
222.06538	1.2
223.07529	8.9
225.05449	9.6
229.06575	0.7
231.02792	6.4
231.06581	2.4
233.05972	6.7
234.06651	1.4
235.07539	1.9
237.05406	0.7
239.06902	7.3
240.07390	0.9
242.05801	0.9
243.06488	2.6
245.05823	0.8
247.07527	4.5
249.05447	40.1
250.06123	4.4
251.07014	11.1
252.04147	2.5
253.04907	8.2
254.05829	0.6
255.06432	4.0
259.03754	0.9
261.05463	2.4
263.06845	5.0
266.05649	1.6
267.06476	13.7
268.07074	2.9
269.04547	1.5
269.08066	6.0
271.05984	27.9
272.06378	0.8
273.05405	2.2
275.06924	3.0
277.01907	1.3
277.04922	24.1
278.05624	3.2
279.06485	13.6
279.09293	1.2
280.07251	0.8
281.04507	6.9
281.07523	1.1
283.05936	1.1
284.03281	0.8
284.08191	0.7
286.08801	0.6
291.06296	3.4
293.07736	4.7
295.05969	56.5
296.06461	2.7
297.07468	7.3
299.05270	1.0
301.07452	0.7
305.04419	5.3
307.05960	3.5
309.07825	2.7
313.06818	6.0
319.05792	3.5
321.08524	1.1
323.05460	67.2
324.05795	3.6
325.07028	5.8
327.10327	0.9
335.05499	2.4
337.07767	5.4
339.09747	0.9
341.06519	10.4
347.05457	2.8
349.08688	0.8
353.06375	3.5
355.09534	3.6
359.08969	1.3
365.07205	6.2
366.08984	0.8
367.09457	2.2
369.07480	2.5
371.08411	1.0
373.10748	0.9
383.09058	4.5
385.10638	2.2
387.03818	1.3
387.08612	17.5
388.09128	1.8
389.10349	0.7
393.07318	1.5
395.09064	2.7
401.10199	3.9
403.11752	2.0
411.08554	8.1
413.10172	4.9
415.08096	12.6
416.08783	0.8
429.09647	11.7
431.11041	2.7
439.08200	1.5
447.10715	13.8
457.09204	6.6
475.10217	17.1
493.11139	3.1
503.09479	1.4
521.10748	11.6
524.98022	0.8
655.14130	0.9
673.14911	1.9
689.49414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34470	0.2
63.02372	0.8
69.07269	1.5
73.90668	0.2
77.48953	0.2
79.05475	1.8
81.03402	0.4
85.02888	0.3
89.03908	10.6
89.04461	0.5
95.04958	0.9
95.08619	0.3
98.23501	0.5
103.05438	0.2
104.30343	0.2
105.03355	0.4
105.07065	0.3
107.04940	3.2
109.02929	0.3
117.03367	9.2
123.04420	6.3
127.03890	0.3
133.02823	0.3
134.03542	0.3
135.04399	20.8
136.04750	0.4
136.07603	0.3
137.02335	2.3
139.03867	0.4
145.02837	13.1
147.04347	0.9
151.03864	0.3
159.04395	0.3
160.05214	1.0
161.05942	0.6
162.62590	0.2
163.03882	100.0
164.04245	2.1
165.06995	0.5
169.06458	0.2
175.03966	0.4
177.05421	0.3
179.03452	0.3
181.04929	1.1
181.06345	0.3
191.03387	1.7
193.06406	0.4
197.05881	0.3
205.06493	0.5
206.93576	0.2
209.04471	0.5
215.07022	0.4
221.05959	2.0
223.07530	1.4
233.05988	0.5
237.05353	0.8
239.07045	0.9
247.07565	0.3
249.05469	1.8
250.06201	0.7
251.06940	1.7
253.04813	0.4
255.06554	0.8
267.06512	2.1
268.07205	3.6
269.08005	1.7
271.05942	0.8
279.06531	0.5
283.05948	0.8
285.07535	3.6
291.06357	0.3
293.08142	0.5
295.06009	1.9
297.07462	0.3
307.06009	0.3
313.07004	4.5
314.07755	1.1
319.06284	0.3
325.07034	0.5
331.08093	0.6
337.08405	0.5
339.13071	0.4
341.11404	0.3
383.08380	0.5
390.48309	0.2
401.09970	1.3
418.93216	0.3
429.09589	0.8
447.10718	1.0
475.10196	0.5
490.19611	0.3
493.11218	7.3
494.11517	0.4
518.19470	0.3
550.21814	2.9
551.22278	0.3
609.21942	0.4
673.39264	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	673.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60583	0.5
67.05505	0.7
74.26163	0.6
74.95823	0.5
77.05216	0.6
79.05483	1.4
81.07056	0.8
91.05473	1.4
93.07036	1.8
94.06567	2.3
95.04991	0.8
95.07317	1.5
96.08121	5.4
98.22706	1.8
107.08668	0.6
108.08106	4.3
109.08907	0.7
110.09678	10.1
117.03397	0.8
120.08101	5.5
122.05991	3.0
123.04433	1.0
124.07617	0.9
134.06061	1.2
135.04416	1.6
136.07556	4.8
138.09134	10.3
139.03938	0.6
145.02879	1.3
147.04456	0.6
148.07576	2.5
163.03886	7.1
166.08626	12.3
192.06506	0.6
196.23422	0.6
209.10709	1.7
221.10789	0.9
223.12277	0.9
225.10211	1.2
233.10973	0.7
235.08730	1.8
236.09409	4.2
237.10190	16.6
238.10860	1.5
239.11942	1.5
249.10214	12.0
250.07283	0.8
250.10971	3.4
251.08173	1.0
251.11800	4.5
252.61383	0.5
253.09682	2.6
255.11243	1.3
261.10202	1.6
263.08112	1.4
263.11823	1.4
264.08899	8.8
265.09741	6.9
267.11304	4.1
269.09067	0.6
276.09018	0.9
277.09686	10.2
278.10379	3.4
279.11215	10.3
280.11987	2.4
281.09335	3.0
281.12140	0.6
282.09891	1.5
283.10858	1.7
285.12527	0.8
289.09628	1.0
291.07983	1.2
291.11118	1.0
292.08401	1.8
293.09192	39.6
293.12711	3.3
294.09763	2.0
295.10822	2.6
297.08771	0.7
305.09149	7.5
306.09775	1.7
307.10706	9.8
309.08667	3.4
309.12344	2.8
311.10175	1.9
311.13724	0.9
312.11078	1.2
313.11780	4.2
317.15063	1.1
319.10748	1.3
321.12338	1.2
323.10211	5.8
324.11227	1.4
325.11813	4.7
326.12570	0.7
327.13306	1.4
333.08701	5.0
335.10339	0.7
337.11826	3.1
338.12506	1.3
339.13409	7.3
340.14392	1.4
341.11154	0.9
342.12445	1.2
343.12955	0.9
344.13892	0.7
351.09735	20.5
352.10150	1.1
352.14160	0.7
353.11261	1.8
353.15158	1.1
354.12213	1.0
355.13025	2.4
356.14001	0.9
357.14767	0.8
365.11380	2.9
366.12054	2.9
368.13821	1.1
369.14767	1.4
370.11185	1.2
371.12265	3.5
382.11484	1.3
383.12222	5.8
384.13031	1.0
384.17343	1.2
385.13696	3.0
396.13358	1.1
397.13885	5.3
398.14548	3.1
398.19223	1.0
410.15408	0.9
412.16245	1.3
414.08188	0.6
414.14145	0.8
416.16083	0.9
418.17496	3.2
428.16235	1.4
438.14441	1.6
446.17026	12.1
447.16965	1.0
456.15405	6.8
458.17111	0.7
459.27411	0.8
476.18002	4.2
478.19635	10.7
479.19861	0.9
486.16925	0.8
488.18185	2.0
490.19727	1.6
511.34106	1.7
518.19177	2.2
519.19885	2.6
520.20691	1.1
536.20056	3.9
550.21820	46.5
551.22565	100.0
552.22943	5.9
591.22229	0.6
609.23468	3.0
623.24738	2.2
633.79852	0.7
641.25952	12.6
642.26031	1.0
673.39264	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	673.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49167	0.7
55.05490	0.9
93.07011	1.0
97.46341	0.6
102.53242	0.7
123.04411	1.7
125.88713	0.8
135.04439	1.3
139.03934	1.2
145.02843	1.5
153.05528	1.3
159.11615	0.7
163.03889	3.5
181.04982	1.3
200.24104	0.8
239.11475	0.8
279.11209	0.8
295.06067	2.1
339.09802	0.9
339.13507	2.3
351.21506	3.0
367.12878	1.1
371.07928	1.1
407.24112	2.3
425.25098	7.3
453.24820	2.5
459.18643	0.9
518.19214	4.6
550.21783	3.1
569.29004	1.8
587.30261	11.8
588.30365	0.9
629.31342	45.3
630.31757	3.0
673.30365	100.0
674.30707	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	673.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.1
56.05029	0.8
57.05814	1.2
60.95985	0.3
70.54588	0.3
72.08149	100.0
73.08468	0.9
77.65094	0.3
79.95649	0.4
83.05011	0.4
84.04496	8.5
86.06075	2.7
100.07596	0.5
102.05532	5.6
114.05524	5.7
116.07064	0.6
118.69873	0.3
123.04379	0.4
135.04474	0.4
138.09126	1.1
143.11786	9.7
144.06557	7.0
156.10179	0.8
157.09714	1.0
161.39406	0.4
162.07616	11.8
163.03862	0.7
171.11267	5.6
183.11259	4.6
185.09195	21.2
185.52527	0.3
186.09570	0.4
201.12329	4.0
211.10747	1.0
224.84752	0.4
229.11806	7.9
256.16556	11.4
257.16760	0.5
261.14447	5.3
272.16043	0.6
284.16025	32.4
285.16306	1.2
300.15503	5.8
307.68283	0.4
328.18677	1.0
372.17648	1.3
390.18704	1.2
399.22275	0.6
413.20267	33.6
414.20731	1.8
419.95200	0.4
467.95959	0.4
489.24945	0.6
512.27026	2.2
531.70483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01871	0.4
57.03435	0.3
64.31537	0.3
65.03929	2.6
67.83585	0.3
69.03426	2.7
70.98222	0.4
71.04986	0.5
77.03945	0.2
81.03410	6.8
85.02901	2.7
94.11384	0.3
95.04963	6.0
97.02882	6.1
99.04449	1.3
99.40324	0.3
103.05460	17.3
105.04503	0.3
108.04491	0.3
109.02870	3.6
111.04426	1.9
118.24376	0.3
120.96913	0.4
121.02853	100.0
122.03156	1.3
127.03876	2.6
131.04912	52.3
132.05208	0.7
135.04370	0.3
137.05951	1.9
139.03883	18.6
140.04233	0.4
145.04950	1.2
146.06361	0.3
153.05359	0.3
163.03891	0.9
163.07529	23.9
164.07895	0.7
172.00040	0.3
175.07481	0.3
177.05478	0.5
179.10539	0.3
191.06993	0.9
203.07030	2.8
205.08458	0.3
221.08133	0.4
224.46696	0.3
233.08031	1.0
252.97293	0.4
265.07050	10.3
266.07321	0.4
283.08090	9.6
357.13431	0.3
371.94565	0.3
681.00177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01248	0.2
53.03942	1.2
55.01874	0.8
63.72498	0.3
65.03932	2.4
69.03422	2.7
71.04980	0.5
76.06580	0.3
77.03911	0.6
81.03411	8.5
81.93053	0.2
85.02895	2.7
95.04960	6.4
97.02883	6.0
99.04443	0.8
103.05459	21.8
105.04510	0.4
109.02880	3.9
111.04443	2.5
117.03350	0.3
121.02855	100.0
122.03188	1.6
127.03906	2.0
130.19438	0.3
131.04913	56.9
132.05223	1.2
135.04372	0.7
137.05991	1.3
139.03889	17.2
145.02898	0.5
145.04915	1.1
145.06386	0.3
151.03848	0.4
153.05492	0.4
163.03915	2.0
163.07527	20.9
164.04208	0.5
164.07951	0.5
175.07518	0.4
177.05434	0.6
191.06949	0.9
203.07011	3.1
221.08063	0.7
233.08040	0.4
236.33972	0.3
265.07053	9.5
266.07318	0.4
283.08099	8.6
461.84583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05492	7.6
57.03440	8.7
67.05495	21.1
69.07059	10.4
71.04976	1.5
75.25993	1.4
79.05483	20.9
81.03411	4.6
81.07050	32.8
83.01341	2.8
83.04971	8.0
83.08617	6.7
85.02895	4.6
91.05474	10.1
93.07033	30.8
95.04967	6.0
95.08587	14.0
97.06504	4.9
97.10157	1.7
105.07004	7.7
105.62908	1.6
107.04962	3.6
107.08591	17.6
109.06555	2.5
109.10142	2.6
111.08057	3.1
113.09723	1.6
117.07015	7.1
117.86177	1.4
119.08567	5.4
121.06487	2.7
121.10136	10.3
123.08046	2.1
125.05975	2.1
131.08569	3.4
133.10135	6.1
135.08037	2.8
135.11664	16.5
145.10088	10.6
149.13249	10.2
159.11690	6.8
163.03889	4.9
163.11136	19.2
181.12265	2.5
195.13777	5.2
206.12344	1.7
222.68655	1.6
227.12807	16.8
254.88187	1.7
269.17456	53.3
283.15378	33.6
380.72031	2.0
463.30356	3.7
477.28442	100.0
478.28900	8.8
648.16541	1.6
675.26544	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	674.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01868	5.3
55.05506	11.8
57.03180	0.6
57.03430	11.1
57.07074	2.0
59.04986	1.4
61.02913	3.2
62.37086	0.6
65.03922	0.6
67.05499	32.3
69.03407	1.3
69.07062	9.1
70.26021	1.5
71.01352	1.1
71.04980	4.5
73.02905	0.8
77.03924	0.7
79.05486	23.8
79.15915	0.6
81.03417	5.5
81.07050	41.9
83.01338	4.4
83.04976	9.9
83.08620	10.2
85.02910	3.2
85.06531	2.6
91.03957	1.0
91.05470	13.4
91.05982	1.2
93.07038	34.7
95.04961	6.3
95.08602	13.1
97.02884	3.0
97.06516	7.4
97.10159	1.5
98.22850	0.7
99.04453	0.9
99.08115	1.4
102.09161	0.9
103.05448	1.1
105.04488	1.2
105.07013	5.4
107.04958	5.0
107.08586	18.5
109.06503	6.0
109.10172	2.1
111.04440	1.4
111.08106	3.5
111.11695	0.9
117.07017	6.1
119.08569	4.0
121.06503	2.6
121.10139	11.1
123.08054	4.7
123.11713	1.1
125.05979	1.0
125.09631	0.9
129.07018	1.5
130.07771	1.3
131.08533	5.2
133.10130	4.0
133.17897	0.6
135.08069	2.1
135.11688	8.4
137.09660	0.9
139.11156	1.4
145.10107	7.7
147.08003	1.5
147.11632	0.7
149.02353	2.6
149.13252	14.2
151.11200	0.7
153.12738	1.3
155.08565	1.0
159.11676	6.3
163.11176	11.5
171.11565	1.0
173.09666	1.5
177.12738	2.1
181.12262	1.4
191.10626	1.3
193.05005	1.3
195.13773	6.4
209.11659	3.4
213.14778	0.7
227.12762	2.1
228.23213	1.6
265.14459	1.9
269.17456	61.1
270.17853	1.6
283.15366	38.2
284.15787	2.1
429.11835	0.9
451.01031	0.7
459.27319	1.7
477.28436	100.0
478.28827	7.1
674.35553	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	674.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19460	3.6
55.05502	8.2
65.03932	4.4
67.05499	19.2
69.03439	3.3
69.26429	12.9
69.26827	7.0
71.04971	6.1
79.05479	24.5
81.07051	34.1
83.04969	9.9
85.06562	4.9
86.09695	4.9
89.77589	3.0
91.05472	43.8
93.07027	25.5
95.04958	25.3
95.08606	15.0
98.23477	6.9
105.07014	66.5
107.08592	11.9
109.06510	10.7
115.05408	8.6
117.07007	58.3
119.08558	24.1
121.06492	5.6
121.10123	8.1
128.06213	14.8
129.06990	35.5
130.07773	6.4
131.08557	58.8
133.06480	8.0
133.10132	26.6
135.08086	6.4
141.06995	5.8
142.07773	16.7
143.08559	52.4
145.06479	6.6
145.10095	71.1
147.08035	10.8
147.11673	8.0
149.09541	6.2
154.07829	4.0
155.08546	20.7
156.09312	5.4
156.98949	3.2
157.10118	26.9
159.11684	14.2
161.09604	12.5
161.13182	4.2
165.06967	6.7
167.10815	4.0
169.10202	6.8
171.11688	15.4
173.09602	100.0
173.13239	5.4
175.11153	18.2
177.09033	4.9
184.07346	9.8
185.13243	36.6
187.11115	5.6
189.12743	9.4
191.10620	11.6
191.14317	8.9
195.11734	10.6
203.14291	20.3
213.12708	31.5
219.11623	3.6
231.13783	58.0
249.14935	9.4
293.19342	3.2
447.27975	3.7
627.34857	3.4
698.89832	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	674.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49797	0.5
53.12159	0.5
55.68140	0.5
56.05014	0.8
58.06583	0.5
60.07917	0.5
60.08162	5.7
67.05494	0.8
69.76917	1.0
69.77258	1.0
71.07367	3.2
73.77045	0.5
86.09701	30.1
98.98467	2.7
101.41527	0.5
104.10733	2.0
124.99052	0.5
124.99992	20.7
184.07330	100.0
185.07724	1.1
228.20726	0.5
305.99896	0.4
548.50720	0.5
674.43536	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	675.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10694	0.3
57.60498	0.4
61.89464	0.4
69.48705	1.4
69.49049	0.6
70.06586	0.4
88.07635	0.6
98.23386	0.5
99.18674	0.3
100.32052	0.4
149.02324	0.9
163.03896	1.7
171.76454	0.4
193.04958	0.7
228.23203	0.5
255.17392	0.5
257.11676	1.0
289.41916	0.4
317.11526	2.5
335.12509	47.2
336.12848	1.5
353.57620	0.4
363.11990	100.0
364.12357	5.2
376.15100	0.7
381.12872	1.0
404.14627	1.4
599.59534	0.5
675.35687	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36706	0.4
54.56466	0.4
61.42651	0.4
67.05486	0.6
69.11439	3.2
75.84853	0.4
79.05489	0.5
81.07090	0.5
81.10078	0.5
83.21892	0.4
93.07041	0.6
94.28705	0.4
97.19006	0.4
127.53815	0.4
183.30058	0.5
211.48428	0.5
445.18820	0.6
454.16833	0.6
455.12903	0.6
456.14008	0.5
457.15091	0.5
467.12680	0.7
468.13889	2.2
469.14615	7.0
470.15634	2.0
471.16629	1.1
481.14841	2.9
482.15817	8.9
483.16595	10.3
484.17538	2.3
485.17719	0.9
495.16550	3.0
496.17413	5.9
497.18173	36.6
498.18863	4.6
499.20471	0.9
500.17584	0.6
510.18961	2.5
511.19861	5.1
512.20447	2.1
513.17487	0.8
515.19440	1.7
523.16742	0.7
525.17731	0.7
528.16467	1.8
538.20172	0.8
541.17242	1.4
542.17816	2.2
555.18610	3.6
556.19336	3.0
557.20203	3.1
569.20587	0.7
571.21472	0.5
573.23468	0.7
616.20953	1.1
617.22131	1.0
625.23938	0.7
629.22437	0.9
643.23938	5.8
644.24756	6.6
645.23364	1.2
657.25732	5.6
660.24194	1.3
675.26532	100.0
676.15784	0.9
676.26691	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	675.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02806	0.7
64.98998	0.7
69.14310	4.9
72.66512	0.6
94.06564	1.9
95.07355	0.9
96.05190	0.7
96.08138	3.1
108.08115	3.4
110.09652	5.1
116.04994	1.4
120.04463	1.9
120.08100	3.1
124.07615	1.3
136.07549	4.1
138.09129	7.7
144.04440	1.6
144.81273	0.7
146.06004	1.1
148.07559	1.1
152.07092	1.4
160.03954	1.0
162.05394	1.3
166.08609	6.0
170.48421	0.7
172.03940	6.7
174.05507	0.8
190.04968	1.2
194.08167	1.0
196.09863	1.2
199.12437	0.8
204.06549	14.6
223.08749	0.9
223.12404	0.8
225.10307	2.5
227.11728	3.4
236.09381	1.0
237.10222	3.9
238.11086	1.2
239.11810	2.0
241.09703	1.2
248.09251	1.0
249.10182	3.5
251.08168	1.1
251.11815	4.0
253.09793	2.5
255.11241	1.0
261.10193	1.5
263.11780	2.3
264.08820	0.9
265.09735	5.0
266.10583	1.3
267.11285	2.1
269.12845	1.6
271.10788	2.0
273.12424	0.9
277.09799	1.9
278.10419	1.8
279.07773	2.3
279.11307	6.2
280.12085	2.0
281.09256	1.3
281.12674	0.8
283.10849	4.6
284.11401	0.8
285.12585	1.1
287.13940	4.2
289.09869	2.5
293.09210	2.1
293.12756	1.9
294.09988	2.8
294.13190	1.0
295.10748	2.2
296.11514	2.2
297.08667	0.8
297.12228	1.1
299.10336	1.6
306.09717	1.0
307.10815	1.6
309.12210	1.3
311.10315	4.8
311.13602	1.2
312.11115	1.1
313.12012	1.2
314.12680	1.8
323.10284	1.6
324.10831	1.1
325.11780	2.4
325.32971	0.8
326.12576	1.5
327.13397	5.1
330.15723	0.8
335.10330	2.4
337.11945	1.0
339.13354	24.2
342.12396	1.4
354.12140	2.1
355.12836	6.0
357.14423	6.0
358.15115	1.0
367.12906	9.5
368.13330	0.8
370.15454	1.1
371.12140	0.9
371.16428	1.6
386.14655	1.4
387.15320	1.7
398.14996	2.7
399.15619	5.1
416.16092	1.9
458.17053	5.2
460.18536	0.9
479.20743	1.2
480.20709	0.9
490.19696	2.8
492.21326	1.6
520.20795	6.4
552.23370	100.0
553.23810	7.1
567.26398	0.9
611.25031	14.4
612.24921	1.2
643.27789	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	675.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54627	0.8
52.96160	0.7
56.07346	0.7
63.98745	0.7
69.16666	3.5
74.23734	0.8
91.05475	1.0
93.07049	0.9
94.06538	1.0
95.07307	0.7
96.08121	1.8
98.23438	1.4
108.08103	2.6
110.09662	3.8
120.04453	0.9
120.08100	2.7
122.06013	1.0
124.07607	1.1
136.07582	2.9
138.09116	6.4
144.04466	1.3
146.06003	0.7
148.07594	1.0
150.09097	0.7
152.07097	1.2
152.10683	0.7
160.03928	0.8
162.05550	1.2
164.07033	1.1
166.08617	6.7
172.03888	6.7
176.07137	0.7
190.05011	1.7
204.06532	17.3
204.08305	1.3
208.89403	0.7
224.09352	0.7
225.10219	2.5
227.11847	1.9
236.09435	0.7
237.10271	2.6
238.10916	1.1
239.11745	1.6
249.10271	1.9
250.11153	0.9
251.08136	1.3
251.11824	3.4
253.09753	3.1
255.11433	0.9
261.10220	0.8
263.11807	1.6
265.09607	4.2
266.10449	1.0
267.11368	2.0
269.12845	2.0
271.10803	2.6
277.09576	1.1
278.10535	2.3
279.07971	1.6
279.11319	5.2
281.09265	2.0
281.12912	1.1
283.10760	2.7
284.11444	1.0
285.12192	1.6
287.13898	6.2
289.09790	2.0
293.09271	1.2
293.12897	2.1
294.09821	3.2
295.10852	2.7
296.11600	1.3
297.12415	2.1
299.10321	1.6
299.13730	0.9
306.09799	0.9
307.10742	1.4
311.10245	2.2
311.13760	0.9
312.11078	1.5
313.11926	1.4
314.12561	2.1
323.10239	1.3
323.13766	0.7
324.11078	1.5
325.11880	2.5
326.12494	1.8
327.13327	5.0
335.10321	3.2
339.09186	1.2
339.13336	24.8
340.13947	0.9
342.12296	0.9
354.12161	2.2
355.12787	7.0
357.14365	5.0
367.12839	14.7
367.16980	1.1
368.13470	0.8
371.12125	1.6
371.16324	1.2
379.28052	0.8
387.15491	1.9
398.15018	2.3
399.15549	6.2
414.18182	0.9
416.15933	2.1
430.17862	0.8
446.17227	1.6
458.17169	4.9
479.20493	1.6
490.19763	1.9
492.21210	3.0
520.20807	7.7
552.23346	100.0
553.23553	7.0
611.24927	15.2
612.25214	1.5
643.27271	2.7
657.39587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09298	2.6
54.04992	2.9
55.84175	3.0
59.22747	3.0
65.86319	3.0
89.43099	2.5
94.83073	3.2
95.07348	6.4
96.08154	4.9
97.90093	2.6
108.08096	6.0
110.09677	13.1
115.34294	2.5
120.04464	4.9
120.08116	6.4
122.06008	4.8
124.07613	4.0
126.24350	2.8
134.48380	3.5
136.07570	10.7
138.09126	18.8
160.05310	2.9
166.08665	25.5
172.03902	11.1
190.05020	10.7
197.10753	4.6
204.06555	11.0
208.24295	3.2
225.10222	7.3
226.11029	4.0
227.11766	8.2
237.10156	5.1
241.09692	9.1
251.08138	3.4
251.11804	4.6
253.09735	7.3
263.11926	3.5
265.09775	8.7
266.10406	6.0
267.11282	11.9
269.12750	9.5
271.10709	9.9
279.11224	11.8
280.11948	5.7
283.10742	10.8
285.12296	11.1
287.13861	10.1
293.09329	4.3
293.12796	5.9
294.09961	4.6
295.14053	3.2
296.11548	3.3
297.12125	7.9
299.10297	4.0
299.13995	4.9
300.11166	9.9
311.10217	6.1
312.10956	4.8
314.12527	9.0
315.13123	18.8
323.10251	5.2
325.11697	14.1
327.13373	11.5
328.14282	3.5
335.10196	7.0
339.13394	40.1
354.12180	6.0
355.12811	13.7
356.75110	3.0
357.14462	4.6
365.11276	3.2
367.12646	18.1
398.15060	9.6
399.15656	12.4
404.15668	3.3
416.15863	11.4
420.19052	7.9
440.15607	4.3
446.16934	11.4
458.17191	21.1
479.20108	4.0
480.21457	26.6
488.17850	6.0
490.19992	5.2
520.13269	6.5
520.20795	100.0
521.21478	42.5
522.21710	5.2
552.23370	42.6
553.24188	31.8
593.22705	3.7
611.25000	53.7
612.25446	7.9
617.40436	3.7
643.27399	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27056	1.7
79.05482	2.9
83.30962	1.9
88.12942	1.8
91.05468	2.1
93.07047	3.5
94.06563	6.0
95.07343	4.6
96.08141	9.6
108.04470	2.9
108.08133	12.8
110.09680	15.0
120.04480	3.8
120.08088	10.7
122.06027	4.1
124.07589	7.4
124.75696	1.5
125.62614	1.8
127.54269	1.9
134.06107	2.2
136.07567	13.1
138.09142	19.2
144.04410	2.9
146.06027	4.6
148.07579	4.5
150.09164	2.5
152.07054	2.1
160.03928	2.3
164.07117	2.4
166.08644	26.2
169.55974	2.0
172.03998	13.3
180.10240	1.9
190.04979	13.6
196.09906	1.9
197.10782	2.1
198.73552	1.7
204.06534	19.6
209.10652	2.9
211.08611	4.4
212.09488	3.9
223.08546	2.4
224.09425	2.5
225.10158	9.6
226.11009	3.5
227.11804	7.9
237.10234	7.1
239.08180	3.0
239.11792	6.0
241.09727	5.9
249.10246	6.9
250.10866	4.4
251.08151	2.9
251.11906	8.8
253.09558	9.5
255.11330	2.9
261.10211	3.9
263.11667	4.0
264.08911	3.6
265.09683	14.7
266.10565	3.2
267.11212	13.4
269.12921	15.2
271.10730	11.2
273.12335	5.5
277.09796	5.0
278.10504	5.4
279.07892	3.9
279.11218	14.4
280.11722	3.3
281.09161	6.1
281.12665	4.9
283.10904	11.8
285.12320	6.8
287.13782	15.0
289.09808	5.4
291.11343	3.8
293.09244	6.3
293.12662	4.1
294.09872	6.9
295.10767	4.8
296.11719	2.0
297.12256	7.1
299.10123	3.3
299.13855	3.8
300.11151	4.4
307.10672	2.5
309.12350	5.3
311.10208	6.5
311.13498	3.4
312.11084	4.7
313.11670	3.8
314.12540	4.8
314.23807	1.8
315.13324	16.5
323.10336	6.0
323.13760	3.9
325.11853	16.8
326.12686	7.1
327.13535	13.5
328.14273	3.1
335.10132	9.8
339.13397	53.2
340.10443	2.9
340.14221	3.4
342.12320	3.3
343.12943	3.0
353.11346	3.6
354.12112	4.4
355.12958	17.1
356.13644	5.0
357.14420	6.3
367.12833	29.8
370.15533	3.3
382.11792	2.3
384.12961	2.1
398.14734	8.7
399.15790	12.5
400.16571	2.4
404.15945	3.9
414.18192	4.4
416.15860	10.4
420.19086	7.2
422.17075	2.2
430.17636	3.2
440.16000	3.1
446.16891	10.8
458.17068	23.6
474.20206	2.4
478.19489	3.3
479.20596	2.8
480.21353	18.3
488.18015	6.4
490.19437	7.0
492.21167	6.0
493.21817	2.6
520.20740	100.0
521.21521	33.1
552.23425	31.1
553.24164	12.5
567.25806	2.1
569.23578	2.9
593.23578	5.9
611.15155	4.0
611.24976	72.8
612.24841	7.3
643.26984	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	676.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21458	0.6
57.03415	0.6
58.60404	0.6
65.03941	0.7
67.05489	1.7
69.03404	1.1
70.82558	0.8
70.82880	0.9
77.75277	0.6
79.05511	0.7
79.48663	0.7
81.03405	2.8
85.02882	1.6
86.00716	0.6
89.03899	4.4
97.02857	1.3
107.04944	1.6
109.02863	0.9
117.03368	5.2
119.03523	2.8
124.99660	0.6
135.04405	12.2
135.06665	1.2
136.06172	100.0
137.04562	2.1
137.06604	0.9
145.02835	10.3
146.04599	1.0
148.06152	3.4
159.06622	4.2
163.03886	71.1
173.08205	1.5
175.09846	1.5
178.07211	1.2
181.04967	1.3
185.08212	20.4
187.08530	1.0
202.10855	35.4
203.10818	0.6
220.11914	52.9
221.12294	1.3
265.53488	0.7
268.10294	0.9
307.08173	3.0
325.09076	1.0
352.16211	3.2
382.17206	5.5
393.43277	0.8
419.33185	0.7
460.14816	0.7
514.21259	0.8
537.61859	0.8
544.20331	72.0
545.20905	3.8
570.58813	0.7
676.24677	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	676.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03946	3.1
53.35218	1.2
55.01854	3.1
55.05499	14.1
57.03434	16.4
57.07061	1.2
61.02908	4.2
65.03922	2.1
67.05495	43.2
69.03422	2.8
69.07057	13.5
69.49194	6.2
71.04975	5.0
79.05482	30.9
81.03408	50.6
81.07045	56.1
83.04961	13.6
83.08611	26.2
85.02896	16.7
85.06528	4.3
91.05469	29.0
93.07031	40.1
95.04956	21.6
95.08591	15.8
97.02872	2.6
97.06527	7.7
97.10148	3.7
98.22721	1.7
99.08059	2.1
105.04516	1.4
105.07021	19.1
107.04924	4.7
107.08582	20.0
109.06511	3.3
109.10117	4.2
109.39945	1.2
111.04424	2.6
111.08074	10.2
117.07001	3.8
119.04984	1.3
119.08556	13.1
121.06485	2.6
121.10137	12.8
125.09566	1.4
127.07529	1.3
129.06969	10.7
131.08545	13.2
131.42163	1.4
133.06421	2.3
133.10132	12.0
135.08029	1.5
135.11674	4.2
137.09596	2.0
142.07820	1.6
145.10054	2.1
147.08032	2.5
147.11681	11.1
149.09601	4.4
149.13226	17.0
155.04115	1.4
157.10074	9.8
159.11652	6.9
165.12750	2.4
175.11176	10.9
177.12732	4.7
193.12210	30.6
195.13716	9.1
211.13261	45.0
216.98320	1.5
248.95314	1.2
267.15878	29.4
269.17426	65.1
285.16928	35.9
286.17395	1.5
461.28836	64.9
462.29099	3.7
479.29971	100.0
480.30206	5.3
483.16153	1.6
489.47458	1.4
497.17648	2.6
498.18304	3.9
498.91284	1.4
645.24371	2.3
676.26740	17.8
677.28821	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	676.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01868	0.8
55.05255	0.7
55.05503	8.5
57.03418	1.6
57.07064	1.8
61.02901	2.5
61.45989	0.5
65.03935	0.6
67.05499	6.2
69.03423	5.1
69.07067	3.8
69.76238	1.4
69.76591	1.0
71.04984	1.3
73.02882	0.6
73.81164	0.6
77.03958	0.7
79.05479	7.1
81.03390	2.3
81.07050	20.0
83.04971	22.9
83.08590	1.3
85.02898	11.4
85.06524	2.3
91.05462	10.7
93.06466	0.5
93.07037	13.7
95.04939	1.8
95.08594	17.7
97.02876	4.2
97.06511	1.5
99.04408	0.8
99.08109	0.6
101.06026	1.0
105.07017	40.8
107.08587	16.1
109.02862	1.5
109.06523	1.0
109.10141	8.4
111.08055	1.3
115.05422	0.6
117.07006	9.2
119.08569	26.7
121.10130	9.3
123.08026	2.3
123.11693	2.3
125.09622	1.5
127.03907	2.3
129.06964	2.3
130.07771	2.2
131.08546	18.8
133.10103	15.9
135.11690	3.1
137.09586	0.7
137.13300	0.6
139.11160	0.7
142.07776	0.9
143.07028	3.7
143.08548	3.2
144.09348	3.7
145.04959	2.4
145.10107	40.2
146.10620	0.9
147.11662	12.6
149.02393	0.6
149.09572	1.0
149.13231	4.8
157.10094	5.4
158.10855	1.2
159.11671	52.2
160.12074	0.7
161.08136	0.8
161.13235	45.8
163.11177	2.2
163.14780	1.1
169.10075	1.1
171.11691	2.1
172.12462	1.3
173.13240	8.2
175.14766	2.6
177.12737	1.5
179.14177	1.4
183.10115	2.3
183.11670	1.3
185.13251	1.4
187.14827	1.6
189.16360	8.4
191.17856	1.2
199.14746	2.4
201.16356	67.2
202.16722	2.0
203.17934	9.3
205.15913	0.9
207.17421	3.4
211.14778	1.1
213.16338	1.5
217.15843	3.0
219.17415	100.0
220.17743	2.9
225.16409	0.9
228.47565	0.6
230.23729	0.5
231.17442	2.1
237.18462	5.8
243.17397	0.9
284.58575	0.6
309.18301	0.6
315.19196	0.6
345.20584	1.9
351.21530	1.5
363.21530	5.4
381.22589	3.1
472.69031	0.6
522.75732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16773	0.3
53.03930	0.5
55.05512	1.7
56.90689	0.3
57.03438	1.6
57.07082	0.5
57.22829	0.3
61.02922	4.5
67.05501	9.3
69.03422	2.3
69.07067	1.7
69.36044	0.4
69.36315	1.5
71.04985	0.9
73.02913	3.4
79.05483	6.9
81.03431	1.8
81.07052	9.5
83.04993	0.9
83.08616	1.6
85.02899	4.8
85.06530	0.5
91.03960	2.6
91.05463	4.3
93.07032	8.2
95.04980	1.5
95.08598	5.2
97.02879	3.6
97.06541	1.2
97.10172	0.5
98.22709	0.3
99.04476	0.7
99.08095	0.4
101.02394	1.1
105.04515	0.4
105.07012	3.1
107.08579	4.3
109.02868	0.7
109.06537	0.5
109.10154	2.2
111.11739	0.3
115.03923	0.4
115.05424	0.3
117.07024	1.1
119.08578	2.2
121.10139	2.8
123.08097	0.4
123.11724	1.3
125.09754	0.3
127.03906	1.4
129.06993	0.6
131.08553	1.9
133.10115	1.6
135.11703	1.9
137.13281	0.4
143.08604	0.5
145.04979	0.7
145.10124	1.1
146.60390	0.3
147.11700	1.8
149.13251	2.9
159.11705	1.3
161.13269	1.1
163.05981	0.5
163.14883	0.7
165.12733	0.4
171.11737	0.9
173.13300	0.9
177.16466	0.4
185.04225	0.4
187.14841	0.5
195.13745	0.4
203.05304	0.4
207.13928	0.3
233.22449	0.3
235.13118	1.0
243.08426	1.8
243.20988	2.1
247.13098	1.1
261.22119	4.0
291.15826	0.4
296.56201	0.4
303.15665	0.6
335.25793	1.6
353.26788	1.7
400.07431	0.3
431.23227	0.3
453.20938	7.9
453.26913	0.5
454.21191	0.4
465.20862	7.3
465.27014	0.5
466.21652	0.5
677.34973	100.0
678.35327	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	677.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.05504	1.4
55.87191	0.5
57.03433	1.3
57.07097	0.5
58.79116	0.5
61.02924	4.9
61.75328	0.5
67.05502	4.4
69.03439	2.9
69.04545	0.8
69.07089	1.3
71.05002	0.6
73.02917	3.9
79.05492	4.0
81.03416	1.9
81.07059	5.8
83.04962	1.0
83.08614	0.8
85.02908	4.0
91.03959	2.0
91.05472	2.8
93.07046	5.5
95.04961	1.1
95.08624	1.9
97.02876	3.2
97.06565	0.6
99.04454	0.9
101.02367	1.6
105.07036	2.6
107.08559	2.4
109.10169	0.6
117.07052	1.5
119.08609	1.4
121.10160	1.1
127.03922	1.2
129.07047	0.8
131.08601	0.5
133.10136	1.8
135.11737	0.7
145.04955	0.5
147.11703	1.6
149.13327	1.2
159.11760	0.9
161.13248	0.7
163.74080	0.6
171.11656	1.1
195.13815	0.5
243.08464	1.8
247.13139	1.3
269.17374	0.7
453.20932	7.6
465.20840	6.4
470.00153	0.5
526.04883	0.6
677.35010	100.0
678.35510	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	677.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09192	0.3
53.62601	0.4
57.68708	0.3
57.72118	0.3
59.63036	0.4
60.79185	0.4
71.43673	0.5
137.71814	0.4
149.31235	0.4
156.17773	0.4
185.04227	0.8
193.05032	0.9
214.80751	0.4
256.26428	1.5
259.08002	0.8
347.09631	1.2
431.55045	0.4
515.31873	26.4
516.32245	1.3
677.37073	100.0
678.37268	6.4
690.79187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	0.3
58.64836	0.3
59.23960	0.3
59.36268	0.3
62.86744	0.3
70.06583	0.6
78.60821	0.3
87.03886	0.3
88.07614	1.3
91.05483	0.4
95.04953	0.5
102.09184	0.7
105.03355	0.4
137.09636	0.4
149.02379	1.3
166.31396	0.3
177.15927	0.3
185.04198	0.9
193.04951	1.8
203.05281	1.1
256.26260	3.7
259.07986	1.3
347.09366	1.0
365.10480	3.3
387.13840	0.4
401.14877	0.4
402.15555	0.5
421.13077	1.0
431.19434	0.5
454.48373	0.4
515.31885	19.8
516.32703	1.5
537.29962	0.5
573.21704	0.4
579.29376	0.4
590.22369	1.4
630.95605	0.4
677.37067	100.0
677.53265	4.3
678.07294	0.6
678.37421	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	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53363	1.0
53.03941	2.7
55.01864	1.7
55.05506	13.0
56.04327	1.1
57.03429	4.4
57.07073	6.4
61.02919	25.0
65.03931	2.2
67.05498	74.9
69.03415	2.2
69.07055	12.6
70.13151	1.6
70.13491	2.3
71.04981	2.6
71.08620	1.4
73.02908	8.0
75.04461	1.5
79.05485	47.2
81.03450	2.0
81.07048	77.9
82.07437	1.4
83.04980	3.3
83.08621	8.0
85.02894	26.0
85.06531	2.2
91.03946	24.9
91.04496	1.6
91.05464	22.5
93.07036	57.0
95.04967	4.5
95.08596	60.6
97.02884	11.6
97.06533	3.3
97.10172	3.1
98.22777	1.6
99.04446	1.6
99.08115	3.0
103.03942	1.0
105.04528	2.4
105.07019	21.0
107.08582	37.9
107.49703	1.2
108.08904	1.2
109.06474	2.1
109.10143	31.0
111.08067	2.5
111.54970	1.0
113.09641	1.2
115.03920	1.8
117.07011	9.2
119.08551	15.6
121.10136	35.4
123.08063	1.9
123.11688	17.9
125.09642	1.5
127.03908	9.5
127.11121	1.3
129.07051	1.4
131.08548	20.8
133.10106	13.9
135.11685	29.6
137.09628	2.1
137.13216	6.5
139.11168	2.2
145.04948	12.5
145.10107	16.1
147.11688	11.2
149.09636	1.4
149.13243	19.7
151.11148	1.5
151.14798	2.3
153.12753	2.3
153.58034	1.3
159.11665	16.1
161.13246	9.6
163.06004	18.0
163.14795	15.1
165.12737	2.9
173.13217	14.8
175.14827	4.2
177.12720	1.4
177.16368	5.9
179.14323	2.5
187.14801	8.7
191.14291	1.6
201.16418	2.6
205.15866	1.9
207.35515	1.3
215.17969	2.0
233.22624	3.9
233.30966	1.3
243.21059	35.3
251.90338	1.1
261.22107	100.0
262.22546	2.5
263.23663	2.0
279.23145	2.4
335.25775	16.4
353.26828	28.1
443.28668	1.3
677.34821	4.3
677.54352	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08650	1.3
53.03924	2.0
55.01871	1.4
55.05508	17.2
56.16715	1.4
57.03429	9.2
57.07077	3.8
59.38050	1.4
60.29595	1.3
61.02923	20.0
65.03938	2.8
67.05496	81.6
69.03429	4.5
69.07063	15.3
69.59587	2.5
69.60001	4.3
71.04999	2.9
71.08620	1.8
73.02911	11.2
73.86788	1.5
78.17728	1.3
79.05485	52.6
79.05945	3.0
81.03427	4.1
81.07048	92.5
81.65697	1.2
83.02274	1.3
83.04982	2.4
83.08621	8.2
85.02898	21.0
85.06561	4.3
89.80321	1.4
91.03947	20.9
91.05468	24.4
91.05981	1.8
93.07034	67.0
94.07349	1.4
95.04984	4.2
95.08593	69.6
97.02888	14.2
97.06554	4.8
97.10189	4.0
98.22649	2.3
99.04471	1.6
99.08111	3.3
101.02363	2.4
105.07012	22.6
107.08578	42.1
109.06544	4.3
109.10139	38.3
111.08127	2.9
115.03931	2.7
117.07001	9.3
119.08563	19.3
119.09285	1.6
120.00669	1.3
121.10127	34.9
123.08129	2.3
123.11694	18.5
125.09675	3.2
127.03912	7.3
129.07051	1.5
131.08539	20.4
133.10118	15.5
135.11673	28.0
135.12624	1.7
137.09602	3.2
137.13243	10.5
139.11227	2.3
145.04942	8.0
145.10106	17.0
145.11081	1.4
147.11676	13.1
149.13235	22.1
151.11180	3.3
151.14804	3.8
159.11671	16.3
161.13225	13.4
163.05994	10.6
163.11209	2.3
163.14771	12.5
165.12764	3.4
171.11714	1.7
173.13240	16.5
175.14873	4.4
177.12776	2.6
177.16458	7.0
179.14328	2.3
187.14764	9.2
191.14291	2.7
201.16481	2.9
205.15900	2.0
233.18993	2.3
233.22693	3.8
243.21068	31.3
243.23453	1.8
261.22104	93.7
262.22595	2.7
264.38458	1.7
279.23303	3.8
288.46341	1.5
328.54691	1.4
335.25757	36.6
336.26340	2.0
353.26819	27.7
453.21014	4.6
454.21188	1.5
465.21204	6.0
497.31061	5.0
527.41907	1.6
677.34979	100.0
678.35095	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	678.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62790	5.2
54.72930	4.7
55.05500	11.9
58.82200	4.6
67.05495	18.4
69.07061	17.6
69.49474	12.8
69.49870	8.0
71.08633	5.1
75.61918	4.3
79.05494	14.7
81.07038	20.6
83.04963	11.4
85.06551	6.4
86.09699	21.1
89.06018	11.8
91.05466	43.1
93.07037	22.2
95.04961	18.3
95.08595	13.9
103.05503	7.5
105.07015	74.9
107.08596	14.2
109.06477	6.9
109.59505	5.1
115.05420	9.0
117.06997	79.6
117.07786	7.6
117.63758	5.7
119.04934	6.8
119.08588	24.9
119.89075	4.7
121.06460	5.6
121.10166	7.0
124.99981	13.0
128.06184	25.9
129.06996	50.1
130.07765	12.2
131.08548	65.1
133.06523	7.2
133.10095	30.2
135.08015	6.7
141.06926	7.6
142.07774	16.7
143.08548	52.7
145.06444	7.9
145.10112	79.7
147.08061	6.4
147.11668	9.6
153.07033	6.3
154.07718	8.1
155.08528	22.3
156.09328	8.8
157.10094	37.9
159.07993	7.9
159.11696	9.5
161.09593	14.6
169.10146	8.3
171.11653	15.0
173.09595	100.0
174.12225	5.4
175.11136	9.6
184.07314	47.2
185.13208	30.5
187.11118	8.9
189.12825	6.4
191.10713	14.2
192.16542	6.1
195.11670	13.9
203.14317	24.5
209.60353	4.7
213.12727	30.1
231.13760	60.1
249.14871	9.5
455.53751	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	679.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71902	1.0
69.18428	3.2
69.18837	3.6
71.49933	0.9
115.73592	1.0
125.83831	1.1
135.32431	1.2
140.72453	1.2
162.36279	1.1
163.03920	1.9
181.05026	1.2
203.06766	1.4
204.07552	8.7
205.04712	32.5
205.06532	2.1
214.94101	1.0
217.08347	1.2
219.06371	1.1
230.00223	1.1
232.07089	3.2
249.07558	2.6
423.12674	3.0
431.16690	38.8
432.17267	2.3
437.14590	3.5
467.11679	1.3
481.12921	1.6
593.22125	8.9
635.23065	51.1
635.33649	2.6
636.23419	3.7
679.22040	100.0
680.22180	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	679.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05500	1.2
57.03428	1.2
61.02924	3.3
67.05502	2.8
69.03424	2.3
69.07066	0.6
69.08385	1.6
69.08804	1.1
71.05002	0.5
73.02911	2.6
79.05486	2.1
81.03428	1.7
81.07057	2.7
83.01314	0.5
83.04966	1.0
83.08624	1.2
85.02900	3.1
86.09725	0.4
91.03956	1.8
91.05505	1.4
93.07037	2.8
95.04984	0.5
95.08569	0.7
97.02893	2.7
97.06569	0.5
99.04446	0.9
100.11216	0.8
101.02382	1.4
105.07029	0.5
107.04980	0.4
107.08600	1.6
109.02896	1.0
117.06976	0.6
119.08579	0.5
121.10157	1.3
123.08118	0.5
127.03921	1.2
131.08635	0.6
133.10162	0.8
135.11749	0.6
145.10133	1.1
149.13266	0.9
159.11729	0.5
163.11237	1.1
182.15421	0.6
185.04253	0.5
203.05325	0.5
209.16519	0.5
210.14818	0.5
234.15472	0.4
243.08366	4.9
249.11046	0.6
269.17352	0.8
283.00128	0.4
283.15201	0.4
439.19321	0.5
453.20853	5.3
467.18774	6.5
679.32910	100.0
680.33234	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	679.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
57.03431	0.9
59.04991	0.4
61.02916	3.0
67.05502	2.1
68.21344	0.4
69.03429	1.1
69.07073	0.6
71.01338	0.5
71.04976	0.4
73.02914	2.2
77.86868	0.3
79.05495	1.7
81.03414	2.0
81.07053	3.0
83.04958	0.7
83.08616	0.8
84.39400	0.4
85.02893	3.7
87.61901	0.4
91.03952	2.0
91.05486	1.4
93.07041	2.8
95.04967	0.5
95.08598	0.8
97.02898	2.9
97.06523	0.7
99.04456	0.8
99.92309	0.4
100.11257	1.1
101.02380	1.3
105.07008	0.8
107.04958	0.4
107.08575	1.2
109.02849	0.7
111.04438	0.4
117.07069	0.9
119.08547	0.5
121.10151	0.8
125.00052	0.4
127.03907	0.8
130.68997	0.4
131.08510	0.9
133.10141	0.6
135.11731	1.0
145.10081	0.9
149.13246	0.6
163.11198	1.3
174.03128	0.4
182.15349	0.6
184.07358	0.7
185.04192	0.9
209.11739	0.6
209.16446	0.7
210.15007	0.8
235.13191	0.5
243.08368	4.4
249.10988	0.7
269.17578	1.0
280.29178	0.4
283.15396	0.9
289.24301	0.4
439.19418	0.7
453.20859	4.7
467.18762	7.6
517.27551	0.6
679.32886	100.0
680.33289	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	679.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42115	0.7
55.05508	1.5
56.44740	0.6
57.03421	1.5
60.08179	0.6
61.02916	4.0
67.05499	4.7
69.03426	2.3
69.07063	1.6
71.04987	0.8
71.25856	0.5
73.02921	2.6
79.05495	3.0
81.03414	1.6
81.07050	5.4
83.05001	1.0
83.08600	1.2
85.02895	3.5
86.09688	1.3
87.84749	0.6
91.03955	1.8
91.05475	1.8
93.07037	4.3
95.08633	1.2
97.02886	3.5
99.04470	0.9
100.11240	1.0
101.02399	1.2
105.07035	0.7
107.08592	2.4
107.12950	0.6
109.02881	0.8
111.08055	0.8
121.10160	1.3
125.00040	0.9
127.03931	1.1
133.10179	0.9
135.11700	1.7
145.10049	0.7
148.03165	0.7
149.13231	1.6
159.11813	0.7
163.11201	1.6
177.17325	0.6
184.07339	6.3
185.07669	1.0
209.16512	0.7
210.15022	1.1
227.12866	1.5
243.08548	1.8
249.11002	3.3
316.07809	0.6
373.95865	0.8
416.62595	0.7
453.20987	7.8
467.18753	5.6
491.03305	0.8
507.99850	0.8
672.16040	0.7
679.32892	100.0
680.33356	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	679.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01879	0.5
55.05501	1.4
57.03430	1.8
57.05904	0.5
58.37971	0.4
60.48881	0.5
61.02918	4.1
62.38556	0.5
64.19465	0.4
67.05500	4.0
69.03420	1.6
69.07055	1.0
71.04994	1.0
71.51819	0.4
73.02912	3.1
78.34646	0.5
79.05489	2.4
81.03423	1.7
81.07062	4.6
83.01352	0.4
83.04960	0.9
83.08614	0.9
83.47614	0.5
85.02900	3.5
91.03958	2.0
91.05489	1.4
92.22434	0.5
93.07046	4.0
95.08607	1.9
97.02885	3.5
97.06533	1.0
99.04447	0.9
101.02370	1.9
103.04012	0.6
106.53385	0.4
107.04977	0.8
107.08579	2.7
109.02887	0.7
117.07024	1.2
119.08591	0.7
121.10170	1.9
127.03918	1.2
131.08612	0.6
135.11743	1.4
135.18028	0.4
145.10143	0.8
149.13300	1.9
159.11693	0.8
163.11169	1.4
164.40578	0.5
170.24901	0.4
184.07352	0.7
203.05269	0.6
243.08406	2.0
249.10892	0.7
269.17657	0.7
323.82703	0.6
453.20990	9.8
467.18927	4.1
679.32928	100.0
680.33380	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	679.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
67.05490	0.6
69.83556	1.2
81.03407	0.5
86.47569	0.4
96.01875	1.1
100.11288	1.3
105.07034	0.4
109.02672	1.2
121.10261	0.4
127.92229	0.4
137.09451	1.1
157.25415	0.4
166.09691	0.6
180.11230	0.7
181.12068	0.5
182.15479	0.5
187.07320	0.5
195.13573	0.8
209.11513	4.0
210.15007	0.6
223.13026	1.9
245.11481	4.2
265.17914	1.1
290.96194	0.6
293.21008	0.5
335.25461	3.0
337.23459	7.0
337.27039	0.5
351.24860	2.1
359.22015	0.5
472.35181	0.6
498.33032	2.3
499.34143	2.0
501.32330	0.8
511.91727	0.4
516.34204	25.2
517.34961	6.1
661.39423	0.9
679.40491	100.0
680.40833	7.8
680.50818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50759	0.6
52.05526	0.6
53.03930	1.0
55.01867	1.5
55.05499	1.7
65.03938	16.4
68.23055	0.7
70.93121	1.1
79.05477	3.9
81.03420	0.8
83.08604	1.7
84.08970	0.7
89.03905	2.1
91.05476	10.3
93.03400	17.9
95.04954	2.0
100.07576	0.7
100.11261	7.5
101.11577	1.5
105.04466	0.9
107.04948	21.8
109.06490	0.6
111.04433	74.5
112.04764	1.7
117.03371	2.1
119.04957	4.0
121.23947	0.6
123.04401	2.0
128.07060	0.8
128.99521	0.6
135.04405	61.4
136.04773	1.0
137.02351	11.4
137.03383	1.4
137.05942	5.0
138.02707	0.7
139.03888	100.0
140.04182	1.5
151.03915	0.7
153.05475	1.0
163.02827	0.4
163.03893	17.6
181.04942	53.8
182.05266	1.0
182.15356	2.7
183.15674	1.2
189.06975	1.5
193.06453	0.9
205.06483	1.8
209.16472	2.0
210.14861	2.1
210.16747	1.4
211.15254	0.8
217.06366	0.6
221.06104	1.3
226.07805	0.8
233.05951	1.4
235.07439	0.8
237.05536	1.5
239.08589	1.5
240.09230	0.7
241.10042	1.3
245.05991	1.0
247.07657	1.0
249.05389	1.6
250.07916	1.6
251.08521	1.7
252.09164	1.5
253.10066	0.8
255.08116	1.2
261.05490	2.3
262.06177	1.0
263.06693	1.4
263.08871	1.1
264.09418	0.8
265.04877	2.0
267.07932	0.9
268.08768	1.0
269.09570	2.7
271.07507	0.8
273.05582	1.2
277.04922	0.9
278.05402	0.8
279.08188	5.8
280.08752	0.9
281.04376	1.0
281.09616	2.6
283.07544	1.2
284.08432	1.0
285.09131	1.0
289.04752	3.1
290.05734	0.8
291.06378	1.4
295.05966	0.7
297.09122	5.5
298.09470	0.9
300.07788	0.7
301.08517	0.6
307.07739	4.7
308.08133	3.0
309.09030	4.0
310.06290	0.9
311.07062	1.5
313.08563	1.5
315.09970	0.9
317.04468	2.6
318.05170	1.0
319.05658	3.0
321.09198	0.9
323.05585	1.5
324.07837	1.7
325.08612	9.2
326.09131	1.8
327.10074	1.6
328.07184	1.0
329.08115	3.1
333.03867	0.9
335.07147	3.2
336.07626	1.2
337.08621	8.1
338.08997	0.8
339.06366	1.5
341.08041	1.8
342.08856	0.8
343.09592	2.6
345.03970	2.2
346.04736	1.3
347.05493	3.6
352.07169	1.3
353.08066	21.0
354.08646	2.9
355.09692	5.9
356.06631	1.1
357.07434	4.8
363.05136	5.7
364.06525	0.9
365.08054	6.5
366.08670	1.3
369.07562	1.3
370.08652	1.3
371.09137	7.5
372.09796	0.8
373.03406	11.2
377.08337	0.8
380.06738	1.0
381.07520	17.8
382.08014	3.4
383.09088	7.5
385.06903	4.2
387.08640	1.9
391.05380	2.0
392.06723	0.9
393.07416	3.6
397.06955	1.8
398.07538	1.2
399.08563	11.3
408.98462	0.8
409.07047	12.9
410.07681	2.5
411.08615	10.1
413.06473	9.7
415.08102	2.4
421.06897	1.9
427.08096	30.2
428.08536	1.9
429.09573	2.7
437.06512	10.4
439.08151	7.7
441.06015	20.2
455.07587	77.3
456.07983	4.9
457.09210	7.9
465.06033	1.9
473.08664	2.0
483.07083	44.9
484.07321	2.2
485.08606	0.8
501.08093	10.1
527.39056	0.7
653.12402	0.7
662.50299	1.1
680.51404	7.3
681.12305	17.0
681.51422	2.5
682.12451	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.2
55.01855	0.3
55.05501	1.9
65.03913	0.3
66.04700	0.4
67.05484	0.5
70.06576	0.7
70.66531	0.5
79.05473	0.5
81.03385	0.3
81.07044	0.8
82.06562	0.6
83.04958	0.4
83.08615	1.2
84.08124	0.4
84.08945	0.3
85.02884	0.4
88.26015	0.2
89.03944	0.3
91.05470	0.8
93.07045	0.4
94.04163	1.3
95.04954	0.4
100.07613	0.6
100.11246	8.1
101.11575	1.6
105.07024	0.5
105.35401	0.2
107.04921	0.4
109.06426	0.3
110.06010	0.4
111.04418	1.4
112.04759	0.3
115.05437	0.7
117.03359	0.4
117.07003	0.8
119.08623	0.3
122.03636	4.6
127.08657	0.4
128.07050	1.0
131.04929	0.3
133.02882	0.3
133.10197	0.2
135.04401	0.7
137.05965	100.0
138.06308	1.6
139.03940	0.3
139.08643	0.5
139.37924	0.2
140.07076	0.4
140.09032	0.3
141.05440	0.2
143.04916	6.1
143.07031	0.3
143.50832	0.2
145.02847	0.5
145.06477	0.5
145.10138	0.2
147.04410	0.5
149.05945	0.4
151.03899	12.6
151.05000	1.2
152.07019	0.2
156.57587	0.2
161.05989	0.4
163.03868	2.4
166.08623	0.2
173.09564	0.3
175.07544	1.6
177.05446	0.9
182.15378	2.1
183.15742	1.0
186.88959	0.2
203.06950	1.4
205.08597	2.3
209.16519	2.1
210.14888	2.7
210.16794	1.0
211.15202	1.4
226.19057	0.5
272.54520	0.3
323.57291	0.2
326.28137	0.3
327.12259	7.1
327.28339	0.4
328.12903	0.2
337.22940	0.3
357.13284	55.1
358.13785	1.4
373.12946	0.5
410.28793	0.2
491.20645	0.2
562.16760	0.2
601.23859	0.3
612.88556	0.3
662.49951	1.4
663.51569	0.3
680.51410	10.0
681.51550	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	681.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90424	2.5
67.05496	3.0
69.12353	12.6
69.12750	3.9
75.53750	2.4
81.07054	3.7
86.57928	2.4
93.24754	2.6
96.81781	2.3
110.01392	2.5
117.50728	2.4
177.44406	2.4
519.58057	3.1
605.21564	5.6
649.09601	3.5
649.20532	95.2
650.21307	7.4
681.23029	100.0
681.36530	12.2
682.23297	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	681.324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	0.6
70.06608	0.7
70.22916	1.3
70.23236	0.6
73.39783	0.7
79.05521	0.6
88.07652	0.6
119.08485	0.5
161.27545	0.5
164.92075	1.2
187.30211	0.5
256.26352	4.1
257.26636	2.7
269.10699	0.8
287.11877	0.6
436.23193	0.6
449.92374	0.6
469.17917	1.1
487.18472	1.4
639.33972	0.6
679.48975	0.7
681.32471	100.0
682.32922	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	681.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
57.03432	2.2
61.02920	3.9
65.03937	0.5
67.05503	2.9
69.03424	2.5
69.07072	1.2
69.70617	1.7
73.02895	2.8
79.05480	2.6
81.03397	3.0
81.07061	4.1
83.04972	0.8
83.08620	1.0
85.02901	4.0
91.03950	2.2
91.05453	2.6
93.07033	2.9
95.04958	1.7
95.08620	1.2
97.02885	3.0
98.23439	0.6
99.04485	0.6
101.02422	1.2
105.07047	1.9
107.08607	1.4
119.08541	0.8
121.10159	1.4
127.03909	0.8
129.07045	0.8
131.08559	1.4
133.10109	1.0
147.11748	0.8
149.13251	0.8
157.10130	0.9
159.11684	0.7
186.22171	1.2
186.76424	0.5
193.12213	1.4
203.05460	0.6
211.13345	0.8
235.12996	0.8
243.08434	2.1
251.12531	0.6
255.35910	0.5
416.93323	0.6
453.20941	5.3
469.20453	8.5
681.34460	100.0
682.34955	7.2
685.13971	0.7
701.31512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05441	0.9
69.03378	1.3
71.17881	0.8
79.05437	1.0
81.07010	1.1
85.02902	3.4
85.06499	1.0
87.50477	0.6
91.05403	0.9
93.06964	2.3
95.08517	0.7
97.02802	1.0
105.07040	3.8
107.08539	1.2
119.08495	2.8
121.10072	1.6
131.08524	1.1
133.10141	3.3
138.91977	0.7
145.10109	1.0
147.11661	1.0
149.13206	1.3
157.10123	0.7
159.11621	3.0
161.13245	4.4
183.06261	11.2
189.16310	1.0
201.16402	0.9
223.09360	1.4
246.52661	0.8
259.16663	2.1
283.11499	45.4
284.11957	1.5
421.21933	100.0
422.22134	4.1
445.16861	0.9
613.66577	0.8
681.34503	44.4
682.34393	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	681.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59495	0.9
55.05505	2.8
55.93260	0.9
61.67854	0.9
69.07063	1.9
71.42650	0.7
78.91048	0.8
79.66051	0.8
83.08604	6.0
85.39297	0.9
86.09700	100.0
87.10032	0.9
87.76406	0.8
91.05476	7.4
103.05471	3.1
105.03402	1.4
111.08096	2.6
118.06538	23.6
119.04932	1.1
119.07340	2.9
120.08094	11.5
130.06454	0.9
132.14990	0.9
136.07547	7.0
141.10219	1.1
146.05998	53.6
147.06297	1.0
149.55159	0.8
162.05525	2.1
164.07085	1.1
174.12823	1.4
182.08101	2.5
186.12766	1.5
188.14262	5.1
196.16977	3.0
214.12265	2.3
214.18002	4.4
223.07547	2.2
224.16435	2.3
231.14967	7.6
232.13237	1.5
233.16544	3.2
236.10721	3.3
242.11836	1.2
242.17432	6.4
259.14401	36.0
260.14468	1.2
265.08597	1.5
270.11240	2.1
275.13919	5.2
282.11371	2.2
295.16422	4.7
299.13974	1.2
321.14398	4.5
369.21628	2.4
372.22983	1.6
383.19641	1.6
395.19339	1.4
412.22171	1.2
423.19287	1.1
440.21774	13.6
468.21277	4.7
476.33218	0.9
536.27386	4.3
553.30109	3.9
663.36993	3.3
681.38525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.0
55.01866	9.2
55.05260	0.9
55.05507	4.0
56.05833	1.0
57.03425	3.1
61.02922	3.6
65.03942	3.8
66.57003	0.9
67.05496	1.9
68.99773	1.7
69.03425	19.5
69.77326	3.8
71.05000	2.1
73.02919	5.3
79.05496	1.3
81.03017	0.8
81.03412	33.8
83.08607	3.5
85.02899	50.7
86.06065	1.3
87.00826	20.3
89.44790	1.0
91.03963	1.9
91.05479	2.9
93.03390	3.0
94.04195	1.6
95.04986	1.8
97.02879	20.0
98.22730	1.5
99.04448	13.3
100.11247	16.9
101.11582	4.5
103.05475	2.8
105.01863	14.7
107.04947	6.9
108.02083	1.5
108.04499	1.3
108.05268	1.7
109.02875	22.4
109.06511	1.4
110.06070	1.0
111.04438	9.6
114.05553	0.9
115.05445	7.0
117.01887	2.3
117.07017	16.4
122.03649	4.5
125.06020	3.3
127.03904	46.6
128.06204	2.4
128.07050	1.7
129.01845	2.9
129.06996	9.7
131.04926	8.2
135.04399	6.7
137.05965	69.0
138.06354	1.6
139.03885	8.1
140.04225	1.1
141.05472	2.6
141.74919	0.9
143.04922	3.9
144.05714	2.5
145.04971	17.6
145.06482	50.9
146.06837	1.4
147.02885	2.7
147.08032	2.1
149.06009	1.2
151.03900	93.7
151.05016	10.7
152.04179	1.1
153.05446	5.6
155.04924	2.1
157.06477	11.1
159.02884	17.9
160.05168	10.4
161.05913	2.7
161.09605	1.4
163.03886	1.6
163.07571	5.0
165.05464	8.7
171.04422	4.0
172.05200	5.2
173.05942	6.2
174.06747	3.5
175.07529	23.6
176.07994	1.5
177.04086	1.1
177.05493	4.4
177.09087	12.0
181.04942	4.7
182.15352	4.8
183.04482	1.3
183.15755	2.7
187.07513	31.4
188.04684	1.8
189.09085	8.6
190.06258	2.7
191.06998	1.4
191.08557	1.5
195.06563	1.2
201.05438	2.5
203.07014	61.1
204.07529	1.1
205.06693	2.2
205.08583	31.4
207.07986	1.3
209.16493	4.0
210.14890	5.3
210.16772	2.3
211.15218	4.0
213.03876	1.4
215.06975	6.9
217.08499	1.2
218.07385	1.1
219.08058	4.9
226.19099	1.6
227.06996	1.6
231.04927	9.0
233.08057	100.0
234.06424	1.5
234.08537	2.4
235.07516	3.1
236.08243	2.5
237.09087	1.1
247.07556	4.5
248.08260	1.8
249.05724	1.7
249.09006	2.0
251.10602	5.0
252.07724	1.4
261.09125	4.0
262.06064	1.3
263.07053	2.4
264.07806	3.8
265.08539	2.8
267.10101	2.5
269.08032	2.3
271.09711	2.4
277.08575	5.7
278.09421	1.6
279.10129	11.7
280.10718	1.5
281.07925	1.9
283.09677	1.8
284.10388	2.9
289.08514	2.9
293.10056	4.9
295.06342	1.7
295.09610	1.9
296.10431	1.9
297.11237	3.2
306.08963	2.9
307.09592	10.3
309.11234	5.8
311.12729	12.5
312.10046	2.1
321.11136	15.2
324.09863	1.9
327.12256	15.2
327.28259	1.1
329.13803	4.0
339.12280	39.3
340.12650	1.7
351.12146	2.3
354.08429	1.6
357.13284	42.4
357.17761	2.3
358.13715	1.5
369.13245	1.5
382.07559	1.5
428.08612	1.5
440.08408	1.5
455.07889	2.0
456.07950	6.8
483.07211	1.8
484.07306	3.7
502.08554	1.1
635.51050	1.3
663.51001	4.8
681.51617	22.9
682.12457	2.3
682.51526	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	682.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06026	0.4
52.63193	0.4
53.03947	1.2
55.01855	1.4
55.05502	0.8
57.03431	0.7
59.93092	0.4
61.02911	1.0
61.52197	0.4
67.05499	0.7
69.03431	3.7
69.07056	2.0
71.04974	1.1
73.02891	0.6
79.05489	2.7
81.03416	3.3
81.07052	2.1
83.04971	3.8
85.02901	9.3
88.85120	0.5
91.05482	2.8
93.07020	1.8
94.04179	2.9
95.04947	1.6
95.79150	0.5
96.68764	0.5
97.02895	3.1
97.06513	2.9
99.04449	2.1
100.11222	0.5
103.05435	1.3
105.07014	9.6
107.04945	1.7
107.08548	1.1
109.02850	1.3
109.06506	1.7
111.04433	0.8
112.85056	0.5
115.05444	2.1
115.06170	0.5
117.03279	0.6
117.07002	1.6
119.04915	0.5
119.08570	0.7
121.06523	2.2
122.03635	7.2
125.05988	7.2
127.03910	1.6
128.06200	1.3
129.06952	0.7
131.04936	1.6
131.08562	1.3
133.06487	4.0
133.10117	1.3
135.04391	1.3
135.11578	0.5
137.05965	100.0
138.06325	1.1
139.03873	1.4
139.07489	0.5
141.06985	0.8
143.06006	0.6
143.07025	6.5
143.08264	0.7
143.08449	0.6
145.05049	0.8
145.06436	1.4
145.10123	6.5
146.03644	2.4
147.04396	0.7
147.11691	0.5
149.05981	0.8
151.07527	1.1
153.06938	0.5
155.06029	0.5
156.05695	0.6
158.07256	0.7
159.04414	0.5
159.07957	1.1
159.11694	2.5
161.05963	35.0
162.06342	0.6
163.03915	1.5
163.11147	2.0
167.05011	0.5
169.10078	1.1
171.07968	0.6
173.09595	6.1
175.07520	1.2
177.05418	0.8
177.12766	1.3
181.04918	1.4
181.06425	0.8
184.05147	1.9
187.07565	2.0
187.11166	4.7
187.14818	0.6
189.07010	0.8
191.08603	0.9
191.10655	1.7
192.09216	0.8
199.07535	9.2
202.07745	5.8
203.08528	11.2
204.09221	0.7
205.06471	0.7
205.12238	4.4
209.11700	1.0
213.07008	0.7
215.08521	1.1
215.10657	4.8
219.08064	3.2
220.08815	4.0
221.09627	0.5
230.07185	1.7
231.08020	19.9
232.08702	3.0
233.09541	0.6
233.11708	6.0
235.11169	0.9
241.08725	0.7
245.09656	1.3
247.07584	3.3
248.08319	10.1
249.08899	1.0
251.10474	0.7
251.12772	3.9
258.06796	1.7
259.04785	0.8
259.07520	16.1
260.08295	14.1
261.08994	1.6
263.10657	8.8
265.08618	1.0
269.13849	1.0
273.09021	0.7
275.07031	1.5
276.07782	8.4
277.08582	2.3
290.09338	0.9
291.10129	65.9
292.10635	4.4
293.08041	1.7
293.11288	0.5
295.09790	1.0
295.13126	1.0
308.10425	1.9
323.12744	90.0
324.13040	4.0
359.33508	0.6
365.13763	0.7
377.15750	0.9
389.13190	0.5
395.16800	1.0
413.18210	3.4
442.13345	0.5
485.17709	1.1
618.66437	0.5
681.51379	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.05513	9.9
57.04120	4.1
57.07061	4.1
61.02922	4.1
65.03946	4.1
67.05499	11.3
69.03426	11.8
69.07063	8.9
70.18689	5.8
70.19001	5.3
77.01497	3.3
79.05494	16.2
81.03438	7.3
81.07059	39.2
83.04987	15.7
83.08610	5.1
85.02895	36.0
91.05478	24.7
93.07043	42.1
95.04955	4.8
95.08598	48.3
97.02900	11.2
97.06548	4.3
100.11245	8.2
101.11620	5.8
105.07018	64.0
107.08595	53.1
109.02859	4.9
109.06522	7.2
109.10173	29.4
111.04453	6.2
111.08088	17.8
114.86290	3.7
117.07004	8.2
119.08582	75.3
121.06493	7.0
121.10138	34.9
123.04372	3.2
123.08060	6.0
123.11659	8.4
125.05956	3.7
127.03890	6.2
128.06299	3.9
129.06984	9.8
131.08546	45.1
133.10114	54.3
135.08037	5.0
135.11694	16.2
137.05981	23.2
137.09653	10.4
138.06332	4.5
143.08562	30.9
145.02834	12.0
145.04883	7.6
145.10110	82.0
147.04439	5.4
147.11676	41.9
149.13225	8.2
151.03922	25.5
151.04987	5.5
151.11171	4.3
152.04210	7.4
153.05461	3.6
155.08484	6.5
156.09363	8.5
157.10109	43.5
158.10869	4.2
159.11679	61.1
161.09592	8.9
161.13249	32.8
162.07628	5.8
163.03883	12.9
163.11153	5.5
163.14787	10.3
165.12740	8.5
169.10124	13.3
170.10899	4.9
171.11688	37.4
172.12338	4.1
173.13242	56.4
175.14825	39.0
177.05457	12.7
177.12872	5.3
177.16313	8.5
179.14381	6.8
180.08693	11.5
181.10152	4.1
183.11685	24.9
183.15820	3.7
184.12476	7.7
185.13249	68.0
187.14828	60.4
189.12747	7.3
189.16385	19.9
191.14265	21.4
191.17912	4.4
195.11615	4.4
197.13246	17.9
199.14798	74.5
199.16653	4.1
201.12843	7.5
201.16365	25.0
203.14317	36.2
203.17908	8.7
205.12427	3.7
205.15877	49.2
209.13219	8.9
209.15332	7.3
210.14893	3.8
211.14821	18.2
213.16376	19.5
215.14386	11.8
215.17863	4.7
217.15869	51.6
219.13802	5.4
219.17421	19.4
221.15404	16.3
223.14830	8.3
225.16397	8.4
229.15910	9.9
231.13765	7.9
231.17468	11.4
233.08072	5.8
233.15376	19.3
237.16287	5.0
239.17941	13.3
241.19666	5.9
243.17279	4.2
245.15318	4.9
247.16867	7.1
253.19550	5.5
255.17282	4.0
257.19034	8.7
269.18997	4.5
271.20618	6.0
339.12079	3.8
373.12753	12.5
373.28989	7.5
374.13147	18.6
385.28619	4.5
391.29861	28.4
393.31503	6.3
403.29922	30.6
405.31348	6.4
409.31042	6.9
419.29285	13.3
421.31049	57.2
423.32419	8.5
431.29401	6.1
437.30338	27.8
439.31934	10.6
449.30508	76.3
450.30264	3.7
455.31433	13.2
457.33112	64.7
467.31534	100.0
468.31528	4.4
473.32687	5.5
484.56946	4.0
485.32693	27.1
503.33527	26.2
681.51764	5.7
682.51410	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	683.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22421	1.4
67.05453	1.6
68.81714	1.3
71.43356	1.6
79.05476	2.0
81.07007	3.5
85.02844	1.8
91.05799	1.8
93.07004	1.6
97.02837	1.8
121.10104	1.3
132.50699	1.2
225.04259	1.3
322.49347	1.7
429.08383	1.4
453.20450	3.0
455.91568	1.5
466.81906	1.5
639.32874	1.9
651.22449	1.7
665.33594	5.4
683.29590	100.0
684.29620	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	684.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15920	1.2
53.03941	4.6
55.01860	3.4
55.05507	9.9
56.05842	4.1
57.03432	2.8
57.07075	2.1
58.33771	1.2
61.02916	1.5
61.10315	1.1
67.05505	2.7
68.99804	1.3
69.03429	10.8
69.07063	1.9
70.06586	2.6
70.52145	2.5
71.05000	1.9
73.02921	3.6
73.04748	2.7
77.20374	1.1
79.05496	5.5
81.03409	21.5
81.07055	11.2
81.48819	1.3
82.06574	3.0
83.04980	2.1
83.06927	1.2
83.08607	7.1
84.08952	3.9
85.02898	29.4
87.00826	10.2
89.16997	1.2
91.03940	1.3
91.05481	4.2
93.07047	5.5
95.04956	3.5
95.08597	11.0
97.02895	12.2
98.23387	1.4
99.04458	5.2
99.70280	1.2
100.07620	3.7
100.11250	42.2
101.11572	22.7
102.11887	2.2
105.01846	10.1
105.07023	11.7
106.06554	6.3
107.04936	7.2
107.08571	10.3
108.04495	1.4
109.02872	10.6
109.10133	5.9
110.06066	1.9
111.04441	3.8
112.04778	2.0
112.07619	1.6
115.05466	4.4
117.01845	2.0
117.07008	13.9
119.08567	16.3
121.10151	5.5
123.04434	1.6
123.11726	3.4
124.05212	2.1
126.05558	1.9
127.03912	20.8
127.05401	1.3
127.11197	2.4
128.06221	2.0
128.07071	2.9
129.01851	1.4
129.07368	2.0
131.08578	9.7
133.06500	1.7
133.10092	7.1
135.11699	6.7
137.06001	3.6
139.08672	2.4
140.08960	1.6
143.08611	1.9
144.05702	3.3
145.04976	9.4
145.06476	31.8
145.07568	2.1
145.10103	12.6
146.06819	1.2
147.11649	6.5
149.13232	2.5
151.03871	1.5
153.05411	1.4
155.06007	7.2
156.05730	6.4
157.06483	1.7
157.10132	4.0
159.02888	7.6
159.08064	5.5
159.11705	9.1
161.05898	6.4
161.13255	4.9
163.03879	2.8
163.14783	2.1
165.06985	1.3
167.05627	2.6
167.07014	50.2
171.11699	1.7
173.05963	61.7
173.13264	11.8
174.06383	1.6
175.07518	2.6
175.14868	3.8
177.05446	2.1
177.16350	3.5
179.14423	1.8
181.05023	2.2
182.15399	7.8
183.11655	1.5
183.15721	11.8
184.05145	1.5
184.16057	5.1
185.13278	3.5
185.16301	2.7
187.07585	5.4
187.14795	13.0
189.16383	6.0
190.06239	37.4
191.07031	1.4
191.14270	3.1
199.14745	6.4
201.16322	10.0
202.06242	4.1
203.06999	6.2
203.14316	2.2
203.17949	9.1
205.08578	100.0
205.15846	8.9
206.08977	2.2
209.16493	4.8
210.14900	4.9
210.16832	8.6
211.15225	10.4
211.17113	4.3
212.15459	8.0
212.17328	1.5
213.15863	3.6
215.07092	2.2
217.08572	44.2
218.09300	2.0
219.10199	5.3
219.17436	1.5
221.15494	2.1
221.19038	4.9
223.09720	2.9
231.05000	3.5
231.10164	1.4
235.09618	32.6
237.09088	1.5
247.07494	2.3
247.09641	7.3
248.08168	3.8
263.10754	2.2
265.08435	1.4
265.10712	40.9
269.08160	2.3
275.07083	2.0
277.08929	1.5
282.08884	1.4
288.74576	1.3
291.10117	4.0
293.11667	1.8
299.09186	1.7
311.12814	4.5
315.08582	7.2
319.09518	1.4
323.12753	2.1
328.28580	2.1
330.10953	12.5
331.11716	3.4
337.10693	2.2
339.12216	1.6
343.12000	2.2
343.15610	4.9
351.12036	5.8
352.13174	1.3
353.05511	1.3
353.09927	1.6
369.13461	2.4
371.14935	4.5
383.14810	17.0
385.16931	1.6
401.15894	17.6
405.31406	5.7
407.33319	2.7
423.32703	2.0
439.32315	2.0
441.33728	7.6
443.35349	1.9
451.32043	11.5
459.34833	2.7
469.33392	2.4
487.33914	1.9
665.51263	12.2
666.50885	1.7
683.52179	80.7
684.52435	17.9
685.51990	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01863	2.4
55.86953	0.9
56.11333	0.8
56.48741	0.9
57.03424	3.9
61.02920	33.5
67.94486	1.1
69.03423	11.8
69.23717	6.3
73.02907	15.8
81.03375	2.2
85.02893	82.1
88.24528	1.2
88.97222	0.9
91.03945	51.7
97.02884	32.6
97.03406	0.6
98.22703	2.3
99.04424	3.4
103.03912	1.9
109.02864	5.8
115.03913	3.9
127.03904	39.3
129.29886	0.9
131.49825	0.9
145.04939	47.1
163.05998	100.0
289.09088	1.5
307.10181	1.7
317.84341	1.1
325.11243	26.2
401.33490	0.9
489.28714	1.1
622.92706	1.4
629.47113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
57.03420	2.4
61.02917	11.6
69.03424	5.9
69.17311	10.4
73.02907	4.3
73.04729	4.0
81.03415	6.2
81.07034	2.2
83.04974	6.3
85.02899	34.8
91.03949	20.1
91.05467	10.4
94.04150	1.9
95.04964	6.4
95.08595	3.3
97.02897	11.1
99.04445	24.1
103.03938	4.8
103.05443	4.2
105.07011	6.3
107.04977	9.7
107.08653	2.0
107.76942	1.9
109.02864	10.1
109.06557	2.8
111.04436	6.2
115.05436	2.9
119.04935	16.6
119.08575	3.9
121.06479	2.9
122.03646	3.8
122.54045	1.8
125.68015	2.0
127.03909	34.6
128.06154	3.6
129.07004	14.7
131.04904	7.0
131.08545	5.2
133.06462	2.9
135.04387	3.9
135.08130	4.4
136.05133	2.7
137.02345	1.9
137.05966	91.4
138.06261	3.6
143.04973	1.9
145.04964	17.3
145.06023	2.7
147.11766	2.3
149.05992	8.8
151.03905	7.4
151.07533	75.4
157.06514	14.2
161.05968	25.5
161.07185	3.5
161.09654	5.3
163.03871	3.7
163.06007	28.7
163.07541	22.5
165.07014	4.7
167.05592	3.9
167.07114	2.3
167.08556	4.0
173.13417	3.1
174.06738	8.2
175.07535	11.9
177.09071	6.0
178.07797	2.9
179.08574	2.6
187.14868	2.8
189.05432	2.0
189.09087	50.4
193.06448	6.7
193.10129	6.8
195.07990	8.2
201.09024	2.4
201.16403	2.3
203.08511	2.7
203.17937	2.5
207.10147	7.4
209.09505	1.9
210.06732	2.4
211.07607	2.3
217.42755	1.9
220.08913	2.0
221.06035	11.0
221.09579	15.4
223.07576	3.2
224.08347	3.7
225.09091	11.0
227.10695	15.5
229.08562	2.3
231.08118	1.9
235.07559	2.0
237.05309	1.9
237.09071	2.1
238.09895	1.8
239.10751	2.3
240.07886	2.5
241.12158	2.2
248.08322	2.0
249.09106	11.0
252.07893	3.2
253.08658	12.8
253.12245	32.8
254.12607	2.4
255.10155	15.5
261.09140	3.1
265.08618	9.9
265.12018	2.0
266.09235	2.4
267.10126	11.4
269.08002	3.6
270.08780	3.7
272.10440	4.1
278.09381	3.0
281.11615	16.5
283.09830	2.5
283.13330	3.2
284.10327	2.0
285.11227	31.8
287.12766	26.3
293.11728	8.2
295.05991	2.7
297.11163	4.5
311.12738	21.5
313.14304	50.3
314.14609	2.1
323.12653	1.9
325.11252	5.8
331.15366	100.0
332.15686	4.7
333.13312	5.9
339.12283	2.5
343.15384	43.7
344.15353	2.6
351.14563	3.8
355.06720	2.2
358.45471	2.3
359.02753	5.5
369.16840	2.2
397.16302	4.9
410.11298	2.1
411.17856	7.0
429.08884	3.6
439.17465	48.5
457.18570	59.9
458.19022	4.1
475.19522	31.8
633.94745	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01861	2.8
61.02924	9.4
65.04632	1.9
67.05475	2.6
69.03420	3.7
73.02911	3.8
73.04748	7.0
77.03938	1.8
79.05478	2.4
81.03419	5.4
83.04974	10.4
85.02906	26.3
91.03952	16.6
91.05860	11.2
95.04964	4.2
97.02896	11.2
99.04454	18.3
103.03957	5.2
103.05463	45.2
105.07013	11.6
107.04951	6.1
109.02876	16.9
109.06500	2.6
115.03920	2.1
115.05458	4.9
119.04904	2.5
121.06518	2.6
122.03641	2.6
123.04393	3.3
127.03907	31.7
129.07016	2.8
131.04919	100.0
132.05226	2.6
133.02808	2.4
133.06464	15.7
135.04445	3.5
135.08107	2.9
137.02307	1.9
137.05965	66.2
138.06303	2.8
139.03880	3.9
141.06985	4.4
145.04962	14.9
145.06030	2.0
145.06410	2.0
146.03598	3.6
147.04440	6.7
149.05977	5.5
151.03958	3.5
151.07535	8.1
153.05414	2.7
157.06578	1.8
158.07263	4.1
161.05965	62.5
161.09636	4.7
162.06624	4.1
163.03870	3.4
163.06017	27.1
163.07545	39.2
167.05574	5.3
169.06447	7.4
171.08060	2.8
173.09578	2.7
174.06764	4.2
175.07504	14.3
177.05513	5.5
177.09125	4.8
179.03409	2.0
179.06982	4.8
187.07521	2.5
189.09100	13.5
191.07123	3.5
191.10704	1.8
201.09109	16.9
205.10106	2.3
207.10185	7.6
219.10109	20.5
221.09734	2.9
222.06766	4.1
223.07375	2.1
225.04132	2.5
233.09599	5.3
237.05475	4.1
237.09068	4.8
239.07063	3.0
239.09435	3.1
240.84483	2.3
249.05434	3.1
250.10054	2.6
253.12292	4.6
254.09447	2.4
255.10347	2.4
261.09134	4.8
265.04871	4.4
265.08615	8.6
265.12234	7.5
267.06509	2.2
267.10141	2.0
269.08307	1.9
271.05984	2.3
277.05267	1.9
279.10107	3.5
281.11536	2.1
282.08987	3.5
284.10367	2.6
285.11142	2.4
287.12833	2.3
293.11584	19.0
295.05975	3.4
297.11221	26.3
297.14542	4.4
299.12717	7.8
310.11929	3.2
311.05530	10.9
311.12616	3.2
313.06824	2.4
313.14316	5.3
315.12265	3.8
323.05499	2.7
325.11130	5.9
325.14374	36.2
327.12183	9.4
331.15402	7.9
333.13287	5.2
343.15366	34.0
345.13394	23.3
352.05222	2.4
355.06918	4.1
359.02872	4.3
363.10394	2.1
363.14240	9.5
412.63745	2.4
425.19415	3.5
429.08823	5.8
439.17374	4.4
451.17484	18.9
457.18436	3.6
469.18362	17.7
577.20813	11.8
595.21704	7.5
598.24634	2.0
684.14240	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	684.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01868	1.3
55.05511	9.6
57.03436	3.1
57.20457	0.9
57.24765	0.9
57.39234	1.0
60.87412	0.9
61.24185	0.9
65.03924	0.9
65.19740	1.0
67.05499	27.9
69.06748	0.9
69.07062	5.6
73.04751	2.7
73.06546	1.4
76.06436	1.0
79.05488	45.0
80.46805	0.9
81.03424	5.0
81.07051	23.7
81.07500	1.6
83.04979	10.8
83.08626	3.7
85.06544	2.3
89.60479	1.1
91.05435	28.0
93.07037	41.5
95.04964	16.5
95.08602	15.7
97.02902	1.4
97.06517	3.1
97.10184	1.5
101.05997	0.9
105.04531	3.4
105.07021	24.9
107.04953	4.2
107.08582	8.0
109.06524	2.9
109.10144	2.9
117.06992	4.8
119.08576	15.4
121.06490	1.4
121.10160	3.2
121.51308	0.9
123.08057	3.6
128.06227	1.2
129.07007	11.4
131.08543	1.8
133.10104	5.4
135.08070	1.1
137.09552	1.3
143.08548	6.1
145.10107	8.4
147.08090	2.0
147.11681	22.7
161.09627	2.8
161.13271	7.7
163.07579	1.1
163.11174	1.7
167.05614	2.3
171.11662	17.0
189.12735	7.4
189.58420	1.1
192.22444	1.0
200.71420	1.2
207.13783	18.0
225.04300	2.8
225.14801	2.3
239.09503	1.7
263.16403	1.2
281.17456	44.0
285.01007	1.5
353.95303	1.4
359.03018	3.1
429.08777	2.9
469.29581	1.8
473.77432	1.1
487.30521	100.0
488.30823	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	684.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.1
55.05499	15.5
55.65033	2.7
57.03447	3.9
61.02917	31.1
65.03924	4.8
67.05496	15.9
69.03435	13.5
69.07060	10.4
69.15720	18.6
71.04987	4.5
73.02908	15.0
73.04742	12.7
74.30049	2.6
79.05482	13.9
81.03400	7.7
81.07047	37.4
83.04972	8.4
83.08603	9.3
85.02898	100.0
91.03957	43.1
91.05428	13.7
91.05814	13.7
91.44614	2.8
93.07032	44.4
95.04960	9.5
95.08601	50.5
97.02892	32.6
97.43211	2.9
99.04433	5.9
99.08104	3.3
103.03960	3.5
104.65609	2.8
105.03404	10.5
105.07017	51.2
105.07662	5.4
107.07920	6.0
107.08586	66.7
109.02859	4.6
109.06516	8.6
109.10137	29.3
111.08066	9.3
114.01849	2.8
115.03949	5.3
115.05424	4.5
117.05445	2.9
117.07022	8.7
119.08570	75.4
121.06470	7.4
121.10117	36.8
123.08076	7.0
123.11708	16.6
125.09628	34.4
127.03909	38.2
129.06964	6.4
130.07697	2.9
131.08556	43.9
133.10130	49.5
135.03447	2.8
135.04388	3.8
135.08041	4.0
135.11661	17.0
137.02257	4.3
137.05949	20.0
137.09595	4.7
142.07748	4.3
143.08537	13.5
145.04939	56.6
145.10121	54.7
147.04358	4.0
147.08101	4.4
147.11667	35.7
148.03888	4.6
149.13242	12.0
151.11179	4.5
152.10764	3.6
156.09393	3.0
157.10117	23.7
159.11705	45.3
161.05957	19.8
161.09630	4.5
161.13266	23.7
162.07652	4.0
163.03935	4.4
163.06013	91.6
163.07446	4.8
163.11121	3.9
163.14780	17.4
167.05583	6.8
169.10117	4.7
171.11688	12.9
172.12439	3.7
173.13229	46.2
175.07556	7.7
175.14783	31.3
177.16400	15.6
180.08711	3.5
181.10121	3.2
183.11678	8.8
185.13232	37.9
187.14793	67.1
189.12721	4.0
189.16402	28.2
191.14328	27.1
191.17972	7.0
197.13165	5.4
199.14810	36.1
201.12720	3.3
201.16394	56.9
203.14320	23.1
203.15916	3.5
203.16231	3.4
203.17920	27.4
205.15875	50.1
209.13303	5.7
209.15340	9.1
211.14642	7.2
213.16335	28.4
215.14391	3.4
215.17929	13.0
217.15768	6.7
219.17439	12.8
221.06012	3.6
221.15373	7.2
222.99799	3.1
225.04237	8.0
225.16302	6.4
227.17772	4.7
231.17438	7.0
233.19077	4.6
239.09540	6.2
241.19368	5.1
243.17557	4.4
245.15393	7.2
247.16956	7.2
249.14825	20.9
253.19615	5.4
259.16916	4.0
263.16327	3.6
265.08548	8.3
267.21188	4.8
285.00858	4.2
295.06015	3.6
311.12680	23.0
325.11218	23.7
336.31677	3.6
343.15378	44.4
344.15933	3.8
355.07159	5.3
359.02744	11.1
377.31659	3.5
387.30191	6.3
393.31796	4.4
405.31464	51.1
406.31866	5.6
407.32993	13.4
421.30618	4.5
423.32654	31.4
425.34052	3.9
429.08972	8.9
433.31042	27.6
439.31921	10.3
441.33600	6.0
451.32010	72.0
452.32254	7.5
469.33078	48.8
470.33490	5.2
631.37775	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	684.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	12.3
57.07090	4.3
57.43256	4.0
61.27610	3.9
67.05498	14.2
69.03432	4.7
69.07066	13.7
69.18148	7.5
69.18561	20.7
70.43616	3.9
74.85535	4.3
79.05476	19.0
81.07054	46.0
83.04948	7.0
83.08612	13.1
85.02901	18.6
87.08837	4.5
91.05422	24.3
93.07040	54.1
95.04947	5.8
95.08597	73.2
97.06532	5.7
99.08097	11.0
105.07020	56.7
107.08584	88.6
109.06529	7.8
109.10143	33.2
111.08096	12.0
117.07030	9.6
119.08571	100.0
121.06449	5.7
121.10128	58.9
123.08108	7.3
123.11700	14.9
125.09613	42.3
131.08565	47.8
133.10120	65.7
135.07991	5.2
135.11650	29.0
137.05945	19.9
137.09599	9.6
137.13310	3.9
143.08598	21.7
145.10106	68.5
147.04410	17.6
147.11682	44.2
149.09572	5.2
149.13210	9.9
151.07567	5.4
151.11194	5.8
157.10083	30.2
159.11658	56.4
161.13269	28.9
163.03931	15.3
163.07558	7.9
163.14786	13.4
167.05502	5.0
169.10149	6.9
171.11690	25.9
173.13246	53.0
175.11148	4.3
175.14796	36.7
177.05426	5.2
177.16354	30.7
181.04895	6.1
183.11644	9.0
184.12459	4.4
185.13275	36.6
187.14795	81.7
189.16403	22.3
191.14282	16.6
193.15823	6.6
197.13315	12.4
199.14821	48.8
201.16362	63.1
203.14281	41.3
203.18021	8.5
205.15837	42.4
209.13210	5.0
211.14841	13.3
213.16350	44.6
215.14311	6.5
215.17949	11.1
217.15741	9.7
219.17430	11.5
221.15324	9.0
225.16353	7.5
229.15752	4.0
231.17401	10.1
233.15099	4.8
235.16965	5.4
239.09402	4.6
239.18033	5.3
241.19531	4.3
245.15500	5.7
247.16818	6.8
249.14822	14.1
251.17989	6.8
252.74319	4.1
259.16788	11.0
265.19400	8.7
267.21072	11.4
281.22580	6.6
289.05301	5.2
308.32602	4.0
341.24442	4.7
387.30283	10.0
393.31516	8.7
405.31546	71.3
407.32895	8.6
411.32437	6.8
421.30737	5.3
423.32434	30.9
429.08954	6.0
433.30984	40.8
439.32001	13.1
441.33994	6.5
451.32007	89.8
452.32205	7.7
469.33142	55.5
487.34424	7.8
505.34885	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	684.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	20.0
57.07065	4.8
66.47112	5.2
67.05508	25.0
69.07062	10.3
70.49307	9.1
73.04737	8.9
79.05487	30.2
81.07050	57.5
83.04987	53.5
83.08624	10.7
85.02879	9.7
91.05466	20.3
93.07037	56.2
95.04948	16.5
95.08601	73.1
97.02858	11.9
99.08083	7.6
105.07034	65.8
107.08593	83.8
109.06503	20.9
109.10175	38.3
111.08083	11.7
117.06952	6.3
119.04944	5.8
119.08566	100.0
120.68864	5.8
121.10118	43.2
123.08051	12.2
123.11678	16.9
125.09633	35.2
129.07002	5.9
131.08563	46.8
133.10127	53.6
135.04430	8.1
135.08066	4.5
135.11702	24.0
137.05989	9.0
137.09563	6.9
143.08554	20.8
145.02878	8.3
145.10112	65.9
147.04324	10.6
147.11662	58.5
149.13184	23.8
151.11150	7.7
157.10101	29.3
159.11646	54.4
161.13246	30.1
163.03906	21.9
163.07562	5.6
163.14813	11.1
167.05565	8.1
169.10120	13.2
171.11647	26.1
173.13274	40.7
175.14745	27.6
177.05495	10.4
177.16367	10.9
183.11612	9.3
185.13213	39.2
187.14796	40.1
189.09024	5.8
189.16370	16.5
191.14313	7.2
193.15843	7.0
195.11693	5.4
197.13206	15.6
199.14764	46.9
201.16351	54.3
203.14256	24.4
205.15848	21.4
209.13185	6.1
211.14728	12.1
213.16371	29.4
217.15845	11.8
219.17473	7.4
221.15343	5.2
225.16423	7.1
227.17958	10.3
231.17467	7.6
233.15369	9.3
237.16512	6.0
239.17906	12.2
243.17570	6.0
245.15294	18.0
247.16879	10.8
247.45486	5.1
249.14792	22.2
259.16888	12.4
311.05460	8.8
341.28345	14.9
355.06888	7.0
359.02646	8.0
387.30511	14.1
391.12482	6.7
393.27573	10.7
405.31580	68.9
407.33014	10.9
411.28830	9.8
420.78281	5.6
423.32581	32.6
433.31042	35.1
439.32040	7.1
451.32083	89.6
469.33179	44.1
489.18289	6.7
513.99768	5.1
530.18781	19.6
562.21484	8.4
631.37701	30.9
652.25958	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	685.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
53.60182	1.6
54.25307	1.7
55.01870	4.0
57.44977	1.3
61.02932	2.3
64.92934	1.6
65.03922	11.1
66.86032	1.7
67.05476	2.5
69.15159	6.0
69.15560	3.8
77.03936	3.4
79.05493	3.3
81.03414	4.3
83.91214	1.3
85.02908	22.7
89.03917	4.2
91.03972	2.5
91.05395	9.7
93.03423	9.4
95.04974	5.7
97.02914	4.8
98.22569	2.7
103.05455	1.7
105.03397	4.1
105.04498	3.3
107.01313	2.4
107.04954	15.0
109.02850	2.3
111.04440	39.3
117.03348	3.6
119.04942	6.8
121.02850	7.4
122.03671	3.4
123.04426	60.1
124.04762	1.9
125.02340	17.1
127.03922	2.8
131.04927	4.7
133.02849	19.5
134.03659	4.2
135.04408	47.2
136.04778	1.9
137.02342	72.8
137.03433	6.1
137.05952	11.1
138.02692	1.8
139.03893	56.6
141.06996	20.6
145.04974	3.1
147.04408	9.1
149.02336	7.9
150.03143	15.6
150.62352	1.4
151.03915	9.4
151.47623	1.5
152.06219	3.5
153.05469	9.1
153.06708	1.4
154.05795	2.7
155.06064	2.0
155.08566	1.5
157.02835	3.4
159.04347	3.4
159.87633	1.4
161.02313	3.2
163.03923	29.9
163.06039	3.5
164.33221	1.5
165.05475	24.2
165.07001	14.6
166.06244	22.3
166.07582	2.5
167.07091	1.7
167.08571	5.9
169.06480	35.0
170.06804	1.5
173.05951	2.2
176.04642	1.8
176.06133	1.7
177.05521	3.4
177.06940	3.7
181.04962	32.4
181.06392	2.7
183.07996	1.6
185.78915	1.5
187.03917	4.1
187.07515	5.6
189.06995	2.2
191.03395	5.4
193.06468	9.6
194.07195	2.4
195.08038	4.9
197.05965	21.3
203.03375	7.8
205.06485	6.8
209.04413	6.3
211.07510	7.1
213.01846	3.5
213.05424	3.1
215.07030	20.0
219.08206	2.0
221.05972	40.3
222.06531	3.3
223.07559	17.5
225.05545	9.6
231.03069	1.5
233.05975	4.8
237.05467	5.0
238.06160	2.9
239.07056	25.6
240.07613	2.5
241.08507	2.1
242.05717	5.3
243.06465	9.8
245.04231	8.5
249.05447	72.6
250.06024	6.0
251.07027	4.5
252.04240	2.3
253.04874	8.3
255.06555	6.1
261.05441	6.5
263.07043	2.9
265.04907	6.4
265.08228	2.0
266.05652	2.7
267.03647	2.0
267.06482	39.4
268.07245	11.7
269.04596	2.0
269.07870	3.6
270.04901	2.0
271.05988	85.8
272.06464	3.6
277.04944	35.0
278.05713	6.1
279.06558	6.5
281.04440	6.4
283.05948	2.0
284.03311	2.1
285.07507	23.2
289.04886	5.0
291.06570	2.7
293.04388	8.2
294.05176	2.7
295.06003	75.5
296.06458	4.1
303.08621	2.7
305.04443	7.3
307.06342	2.2
309.07883	1.9
313.07034	94.4
314.07248	3.1
317.04272	7.2
318.05023	1.9
319.05719	1.4
321.03922	4.2
323.05469	50.1
325.08337	2.9
327.08640	17.4
331.08237	9.2
333.03741	4.4
337.07248	6.4
341.06595	12.0
351.05057	4.5
353.08109	7.2
357.06958	2.4
359.03009	2.0
365.07455	2.4
371.08936	4.1
381.07559	7.2
383.08322	2.5
397.07031	2.3
399.08554	11.1
402.67883	1.7
409.06876	3.6
411.08875	2.2
413.05859	1.7
427.08044	37.0
428.08383	4.5
429.09567	7.2
455.07620	48.2
456.07571	3.7
457.09369	2.6
459.10425	8.9
461.12161	3.6
473.08554	17.2
487.09860	13.6
505.11362	8.2
533.09912	2.0
557.75696	1.7
607.11548	2.6
625.13422	3.4
653.12817	100.0
654.13287	7.7
685.15216	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58707	1.5
70.87555	1.4
73.04709	1.7
80.23858	1.3
81.03414	3.3
85.02895	4.2
89.03925	1.9
91.05438	5.2
91.05838	3.5
95.04974	5.5
97.02857	2.4
103.05469	2.9
105.03384	5.6
105.04527	2.0
107.01295	2.3
107.04951	1.9
109.02860	2.3
111.04421	1.6
115.05436	3.7
118.04115	2.1
119.04935	3.0
121.02861	5.7
123.04418	22.7
125.02351	21.2
131.04903	6.2
133.02855	10.5
134.03654	2.1
135.04419	6.7
137.02333	43.5
137.03445	4.6
137.05928	2.6
141.06970	25.5
143.04909	2.7
145.02795	1.4
147.04434	9.6
149.02275	3.9
150.03111	6.1
151.03906	10.7
151.04976	2.1
152.06221	5.1
153.06981	3.4
159.04353	2.5
161.02330	4.2
163.03896	11.9
163.06003	3.0
165.01772	1.3
165.06955	11.2
167.08525	5.7
168.05722	1.8
169.06473	43.1
169.07910	2.4
170.25679	1.6
173.02324	1.8
175.03906	5.0
177.05423	1.5
177.06984	3.4
179.03355	5.8
181.04922	1.8
181.06508	1.9
183.08009	2.7
187.03903	13.1
187.07518	6.2
188.04620	2.0
191.03435	4.7
193.04953	1.6
193.06419	7.6
194.07216	7.0
195.08104	4.7
197.05978	26.7
203.03394	2.5
205.04855	4.8
205.06517	13.0
209.04323	3.0
210.06786	2.8
211.07568	7.2
213.05376	2.3
215.07018	24.3
221.05887	15.1
222.06769	5.5
223.07524	19.4
225.05415	8.5
231.02890	24.7
233.05959	9.2
237.05551	2.7
237.09053	14.3
238.06267	3.3
239.03450	1.5
239.07002	23.9
240.07629	2.5
241.08530	1.7
242.05733	2.6
243.06511	7.1
248.04639	4.3
249.05431	18.4
250.06334	9.1
251.07004	4.1
253.04984	2.5
253.08495	2.0
257.08047	4.5
263.07043	6.4
265.08633	22.8
266.05704	6.8
267.06543	13.4
268.07104	8.0
271.05991	95.0
272.06311	2.0
277.04938	18.1
278.05585	2.7
279.06467	2.0
281.07999	12.9
283.06213	3.4
283.09622	15.4
285.07535	13.4
291.06409	4.5
293.07877	3.5
294.05157	7.4
295.05875	6.8
299.09048	4.9
309.07562	23.8
310.07932	2.5
311.05841	2.6
311.09061	3.8
313.07037	100.0
314.07382	3.8
319.06088	2.7
327.08633	34.1
331.08118	10.2
335.05652	2.1
337.07034	34.5
355.08084	8.6
357.06012	5.7
359.03058	1.7
441.09683	2.1
469.09125	1.8
491.10016	1.8
529.10883	1.6
667.14325	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	685.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97450	0.2
53.03937	0.4
63.02370	0.4
69.03438	1.4
69.07082	0.2
73.04775	0.3
74.50308	0.2
78.66991	0.2
79.05483	1.0
80.30801	0.2
81.03417	3.0
85.02899	1.2
86.09713	0.3
88.69772	0.2
89.03915	6.7
91.05819	0.4
95.04942	0.5
95.08630	0.4
97.02916	0.4
99.04453	0.2
103.05434	0.3
105.04520	0.3
107.04964	2.1
109.02888	0.9
111.04427	1.0
117.03378	7.2
119.04963	0.3
119.08634	0.3
125.70233	0.3
127.03923	0.3
131.04913	0.2
133.58812	0.2
135.04413	16.9
136.04765	0.3
137.02354	0.6
137.05974	2.7
138.06335	0.5
139.03870	1.1
145.02846	10.8
146.03159	0.3
147.04324	0.5
151.03876	0.7
163.03897	100.0
164.04250	2.0
181.04973	4.0
191.03482	0.3
192.57172	0.2
201.63643	0.3
255.06537	0.3
260.14478	0.2
265.04929	0.3
283.05994	1.0
307.08093	3.7
313.12509	0.2
318.84262	0.3
325.09378	3.2
551.55627	0.3
685.26270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.1
52.22733	0.6
53.03937	1.7
55.01872	1.0
59.63594	0.6
63.02354	0.8
65.03912	1.0
67.05493	3.9
68.99783	2.3
77.03920	10.1
79.01827	0.6
79.05482	2.5
81.03416	1.0
85.06470	0.6
89.03910	9.0
91.05820	0.9
95.04958	12.2
105.03387	20.9
105.04510	2.1
107.04945	7.3
109.02873	2.3
111.04433	1.5
117.03369	8.3
121.02840	2.0
122.03595	0.9
123.04417	65.8
124.04768	1.1
127.03884	0.8
132.16991	0.8
133.02838	84.5
134.03680	6.7
135.04408	23.6
137.02325	2.6
139.03857	1.1
145.02831	14.5
146.03444	0.8
147.04369	2.5
149.02306	3.8
150.03084	1.7
151.03894	13.9
152.06166	0.9
153.06947	1.3
158.18956	0.7
161.02325	4.8
162.03072	2.9
163.03888	100.0
164.04254	1.9
165.06975	1.6
169.06502	0.6
173.02328	23.9
179.03377	34.3
180.03749	2.4
181.05130	0.8
181.06418	3.6
181.64320	0.7
185.05988	0.8
191.03374	27.9
192.03767	0.9
193.06476	1.3
196.05067	0.7
204.04257	0.8
209.05968	2.5
213.05457	1.3
219.04469	0.6
221.05899	1.8
225.04225	0.9
231.02853	0.8
236.69040	0.6
237.05460	2.2
238.06093	1.1
239.06963	1.8
249.05309	1.0
255.06499	2.2
265.04892	3.6
266.05545	1.3
267.06464	3.5
271.05933	0.9
283.05933	6.6
293.04480	1.5
295.05981	35.3
296.06406	1.6
311.05450	23.8
312.06104	6.9
313.07022	19.3
314.07318	0.9
323.05414	1.9
329.06454	7.4
330.06998	1.0
341.06494	1.0
473.08627	26.8
474.08960	1.0
489.07913	2.4
491.09637	34.6
492.10001	1.4
507.03522	0.7
507.09366	8.6
570.97888	0.7
626.78973	0.7
685.33832	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
52.20876	0.1
53.03935	0.2
65.03922	0.9
67.37385	0.1
69.03429	0.7
69.16016	1.0
71.34290	0.1
81.03414	3.0
85.02905	0.9
91.05470	6.4
97.02872	0.4
98.22652	0.3
98.27596	0.1
99.04460	0.4
103.35870	0.1
109.02865	1.1
118.29005	0.2
119.04933	17.1
120.05254	0.3
127.03908	0.4
135.04390	0.5
137.05913	0.3
138.06375	0.2
145.02866	0.2
147.04395	100.0
148.04720	2.1
155.85530	0.2
163.03876	3.5
163.05121	0.3
165.04048	0.3
165.05460	5.8
200.23514	0.2
291.08566	3.6
309.09647	4.7
359.15100	0.2
409.71185	0.2
534.12677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.58191	0.2
57.10236	0.2
65.03937	0.8
69.03419	0.7
71.15440	0.2
71.40815	0.2
72.72509	0.2
73.04762	0.3
77.39049	0.2
80.67512	0.2
81.03411	2.2
81.07055	0.3
85.02899	1.1
89.03915	0.6
91.05455	6.5
93.07038	0.3
97.02875	0.5
99.04425	0.3
103.97388	0.2
105.07041	0.3
107.08586	0.4
109.02869	1.2
109.10136	0.3
117.03403	0.3
119.04926	17.7
119.08515	0.4
127.03889	0.5
127.91594	0.2
131.08519	0.2
135.04398	1.1
137.05927	0.4
145.02841	0.7
145.04935	0.2
145.10059	0.5
147.04387	100.0
148.04745	2.3
159.11613	0.3
163.03886	8.0
165.05438	4.5
175.96304	0.2
181.04976	0.3
185.13278	0.2
200.50928	0.2
291.08545	4.2
309.09637	5.1
354.68976	0.2
359.96707	0.2
406.31442	0.4
532.60986	0.3
604.66907	0.2
700.40137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
57.04612	0.6
69.22398	2.7
79.05456	1.0
81.03397	2.5
81.33040	0.6
82.15245	0.5
85.02897	15.7
85.03414	0.8
89.03889	1.0
91.05440	2.5
94.04177	2.1
99.04446	12.0
103.03937	30.9
103.05441	6.7
105.07028	3.6
107.04942	1.3
109.02856	0.9
109.06520	1.3
115.05442	0.6
117.07030	0.8
119.04957	0.9
121.06525	3.0
122.03632	4.5
124.25607	0.5
127.03904	21.6
129.00200	0.5
129.06963	0.7
131.04913	9.4
133.06471	19.2
135.04428	1.8
135.08047	6.9
136.04787	0.5
137.05966	100.0
138.06297	1.6
142.61588	0.5
143.04955	0.5
145.03000	0.7
145.04947	15.8
145.06450	3.3
147.08034	1.6
149.05991	0.9
151.07535	5.9
157.06461	1.2
163.03912	9.2
163.06010	17.2
163.07532	31.4
164.04222	3.8
164.07878	0.8
171.08052	1.4
175.07552	1.7
177.09116	0.9
187.07355	0.7
187.38049	0.5
188.08211	0.6
189.09084	2.3
203.10608	2.3
214.44937	0.5
235.11133	1.1
245.09554	0.8
253.77090	0.5
263.10559	1.0
295.05942	0.7
295.13284	13.7
327.15878	28.1
328.16107	1.2
345.17017	3.7
391.86911	0.6
621.19830	0.7
633.32196	0.6
685.51727	4.6
686.52063	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	686.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44278	0.6
55.01862	0.9
57.05183	0.6
65.03934	1.0
69.03422	1.3
69.19467	2.8
69.19875	1.2
73.04758	0.8
79.05476	1.2
81.03411	1.4
83.04969	0.8
85.02895	4.7
87.00829	0.9
90.04716	0.7
91.05419	4.3
95.04955	1.7
97.02885	1.2
99.04459	0.6
103.05437	2.3
104.10738	0.7
105.07027	1.4
106.04115	0.8
107.04947	6.2
108.05714	2.5
109.02830	1.3
111.04408	2.4
115.07617	0.6
117.03352	0.8
117.07008	1.1
119.04956	4.3
121.06482	1.4
123.04354	0.8
127.03914	1.7
131.04901	4.5
133.06485	1.4
135.04420	3.3
135.08029	1.7
136.05203	5.4
137.05949	4.4
138.06749	0.7
139.03839	1.0
145.02782	1.1
145.06483	1.6
146.07268	1.4
147.04405	12.6
147.05571	0.7
147.07993	2.1
148.05174	4.5
149.06021	0.9
150.06711	1.2
151.03925	1.5
151.07527	100.0
152.07896	1.9
159.08023	1.3
160.08786	0.9
161.05933	3.8
161.09624	1.1
162.06702	0.9
163.03897	7.1
163.07549	5.8
165.05415	0.8
165.09117	5.6
166.06247	8.6
167.05666	0.9
167.07007	3.0
171.07971	1.4
172.08766	1.4
173.06024	1.4
174.06737	1.1
175.07567	2.4
176.08286	2.4
177.05516	0.6
177.09128	9.7
179.07101	0.8
179.10649	1.9
180.07799	1.1
181.08578	56.1
182.08958	1.6
185.09479	0.6
186.10349	1.0
187.07501	1.3
188.08351	2.8
189.09077	3.1
190.09845	1.6
191.07042	0.7
191.10713	3.6
193.08647	3.1
194.09357	0.9
195.10133	3.8
201.09047	1.6
202.09900	2.9
203.07063	0.9
203.10666	5.5
205.08549	1.1
206.09195	0.7
207.10132	2.3
208.11005	0.6
216.11469	2.2
217.08607	1.1
217.12177	5.0
219.10060	0.7
219.81912	0.7
221.11763	2.6
233.11720	2.4
235.13271	1.1
243.10120	0.8
247.13322	2.2
251.12683	1.4
265.14270	1.0
288.32816	0.6
345.17102	1.1
353.17432	1.9
354.18228	2.4
358.69681	0.7
370.17728	9.5
385.20071	32.9
403.21112	33.0
404.21310	2.0
413.19403	1.1
427.21060	1.0
453.18671	1.0
464.88303	0.6
471.20163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05507	12.1
57.03432	13.2
57.07076	2.1
59.04993	4.2
60.13111	0.7
61.02920	4.6
61.35500	0.8
65.03928	2.8
67.05499	100.0
68.05843	1.2
69.03425	1.7
69.07058	8.0
69.80994	2.4
70.89589	0.8
71.04980	2.5
73.02927	0.9
77.03923	0.9
79.05484	20.9
81.07048	40.7
82.41924	0.7
83.08620	7.2
85.02880	4.0
85.06541	2.5
91.03965	1.6
91.05468	14.6
91.05989	1.2
93.07034	26.7
94.07376	0.8
95.04961	2.5
95.08596	27.5
97.02894	2.7
97.06532	1.8
97.10157	2.7
105.07019	8.5
107.08584	16.3
107.09245	1.3
109.06519	1.3
109.10145	71.9
110.10485	1.5
111.08078	3.1
111.17415	0.7
117.07005	2.2
119.08572	12.2
121.10128	12.2
123.08076	1.0
123.11686	5.0
125.09637	1.2
131.08557	6.3
133.10115	5.4
135.11671	7.9
137.09593	4.2
145.04846	0.9
145.10097	3.6
147.11673	4.1
149.13283	4.8
155.10667	7.3
159.11694	4.0
161.13300	3.2
163.14838	1.8
173.11748	18.5
173.13286	3.7
175.14836	1.0
177.16312	1.0
187.14835	2.9
189.11200	0.9
213.84828	0.6
219.97667	0.7
225.74966	0.9
225.94484	0.7
227.12659	3.8
229.14328	84.0
230.14700	3.2
242.24648	0.8
243.21062	4.3
259.20370	0.9
261.19351	0.6
261.22092	18.3
279.23270	1.3
317.24640	4.3
335.25760	77.3
336.26056	3.8
379.30411	0.8
397.31201	1.3
471.34775	0.9
489.35693	59.6
490.35938	4.1
507.36685	1.7
637.96106	0.8
665.96899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.05502	12.4
57.03431	11.2
57.07062	1.9
58.77398	0.8
59.04168	0.7
59.04996	4.0
59.84391	0.8
61.02913	4.1
65.03925	2.1
67.05494	95.8
69.03426	1.9
69.07060	7.9
70.70880	1.5
71.04977	4.1
73.02915	1.9
79.05480	18.8
79.66416	0.9
81.07045	31.0
83.04983	1.1
83.08618	8.7
85.02875	4.6
85.06535	3.0
91.03959	1.3
91.05471	12.9
93.07027	23.0
95.04966	2.0
95.08589	24.3
97.02888	2.6
97.10183	1.6
105.07004	7.5
107.08572	11.8
109.06526	1.2
109.10142	75.3
110.10493	1.1
111.08069	2.9
117.07024	3.4
119.08561	8.6
121.10128	10.1
123.11691	4.7
125.09613	1.2
131.08568	4.0
133.10120	4.2
135.11664	6.1
137.09610	3.8
137.13237	1.1
145.10123	3.4
147.11693	2.6
149.13200	4.5
155.10658	7.1
159.11703	3.7
161.13255	2.4
163.14816	3.0
173.11746	18.5
173.13254	3.4
175.14938	1.0
177.16429	0.9
207.70320	0.9
227.12755	5.2
229.14313	100.0
230.14775	1.7
243.21074	4.4
261.22110	14.5
317.24719	2.5
335.25751	70.5
336.26093	2.1
397.30936	2.0
489.35699	37.3
490.35977	2.4
507.36902	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	687.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12840	0.6
69.78334	2.3
85.00287	0.8
87.79285	0.7
91.05830	0.9
99.47685	0.8
105.69379	0.7
117.07072	0.8
135.04485	0.7
137.05984	1.0
139.03981	1.0
144.49483	0.7
148.29637	0.8
151.03896	2.2
163.03938	1.5
175.07518	1.1
181.04994	1.2
205.08479	0.9
212.86909	0.8
227.05307	0.8
261.72818	0.8
295.05920	1.6
429.09180	0.8
439.13550	9.2
459.33347	0.8
541.16840	1.1
583.17822	1.6
601.18817	13.4
601.27863	1.1
625.19073	1.1
643.19891	66.1
644.20142	5.6
686.52692	1.1
687.18848	100.0
687.46564	5.0
688.19073	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	687.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92635	0.8
56.01991	0.8
61.17052	1.1
68.05108	0.9
70.32712	0.8
70.34193	2.1
71.16798	0.8
81.07018	1.1
81.82320	1.0
91.05841	0.9
95.08588	1.0
105.07023	1.3
107.08607	1.2
112.07621	1.2
184.07396	2.0
188.08281	0.9
217.04701	9.0
242.21353	0.8
283.39835	1.0
283.43008	1.1
321.85309	0.9
379.58423	1.0
392.41333	0.8
437.15167	0.8
488.60443	0.9
493.32959	2.5
687.38568	100.0
688.38721	7.4
690.15924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02369	0.9
64.82105	0.3
67.05479	0.7
70.49332	0.6
77.03922	1.1
78.04707	0.7
79.05483	0.8
81.03394	0.9
81.07064	0.6
85.02892	0.5
88.21391	0.3
89.03912	3.0
89.35081	0.3
91.05457	0.6
95.04950	2.1
103.05486	0.5
105.03391	1.8
105.04504	0.7
106.04154	1.0
107.04928	0.9
109.02866	0.8
111.04464	0.6
115.05408	0.6
117.03387	2.1
121.02908	0.4
122.06030	0.5
123.04419	64.1
124.04762	0.7
126.46705	0.3
127.04002	0.4
131.04890	1.0
134.03625	3.7
135.04405	15.3
137.02342	5.4
137.03363	0.7
139.03914	1.1
143.04898	0.6
145.02849	1.2
147.04393	1.5
149.06000	0.4
150.05516	1.3
152.06334	0.4
158.03682	0.4
159.04424	0.5
161.05972	1.0
163.03873	6.5
165.06992	1.0
175.03859	0.8
177.05461	1.4
177.06920	0.7
178.07700	0.5
179.08505	0.5
181.04956	0.8
181.06433	0.6
187.03876	0.7
189.06931	0.9
193.06413	0.8
195.08076	0.4
197.05832	0.4
203.03363	0.7
205.06528	1.2
209.06052	0.4
210.06778	1.0
211.07516	0.9
212.08286	0.3
213.05449	0.5
221.06017	2.0
222.06702	0.7
223.07556	1.9
231.02742	0.3
233.05920	0.6
234.06715	0.5
237.05458	0.6
238.06311	1.5
238.95676	0.4
239.06969	1.7
240.07819	0.9
243.06377	0.4
243.76967	0.4
249.05492	1.9
250.06274	1.1
251.06990	2.0
252.07651	0.6
253.04950	1.0
255.06546	0.6
263.06927	0.7
265.04907	1.0
266.05643	0.5
267.06485	3.8
268.07312	1.4
269.08032	1.0
277.04803	0.7
278.05927	0.4
279.06516	1.5
283.06061	0.4
291.06329	0.6
293.04449	0.9
295.05988	3.8
296.06729	0.5
297.07471	4.3
307.06180	1.1
311.05542	0.8
313.07016	3.4
314.07846	0.7
315.03574	0.3
319.05963	0.8
323.05426	1.7
324.06122	0.6
325.07208	1.2
341.06540	0.4
353.08112	0.5
369.06012	53.3
370.06458	2.3
371.09088	0.4
381.07504	0.5
382.06802	0.6
383.08078	0.4
399.08392	1.0
409.07242	0.4
427.08047	1.7
445.09012	2.7
473.08655	1.2
491.09674	100.0
492.10010	5.5
531.09558	0.4
566.13257	0.4
653.13397	0.5
687.36859	1.4
688.23309	0.5
688.37421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78061	2.1
59.17869	2.2
60.75459	2.1
64.76377	2.4
66.05180	2.1
67.80690	2.7
85.08752	2.8
86.36378	2.5
89.03902	3.8
95.04959	3.4
105.03403	5.2
106.21317	2.0
107.04971	3.5
111.04459	2.8
117.03370	4.8
123.04421	58.5
125.02343	3.6
131.04938	2.5
133.02864	15.8
135.04410	14.6
137.02327	21.6
139.03896	3.7
139.48351	2.2
141.06987	6.0
145.02844	7.8
147.04355	4.3
150.03105	3.2
150.05463	3.6
151.03894	5.6
151.06264	3.2
156.27516	2.4
161.02383	3.1
163.03897	42.3
164.04234	4.0
165.07024	3.0
169.06461	13.5
172.74979	3.0
173.02313	6.2
179.03410	7.5
187.03873	4.6
191.03369	52.4
197.05943	9.7
205.06548	5.0
215.07057	7.6
220.69810	2.8
221.06038	11.3
223.07544	14.4
225.05559	6.2
231.02821	3.5
233.06017	4.2
239.07014	8.1
243.06537	4.3
249.05507	13.5
251.07005	12.5
253.04823	3.3
267.06433	15.9
268.07144	3.3
269.08002	8.9
271.06006	26.5
275.04477	2.7
277.04926	5.5
283.06097	2.6
285.07559	7.3
295.05988	20.5
312.06229	13.4
313.07028	100.0
314.07230	4.0
323.05438	10.1
331.08279	4.9
341.06454	6.2
463.10184	5.1
473.08228	4.4
491.09741	23.4
646.54309	2.5
653.12909	20.0
689.21277	3.6
689.34717	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	688.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01861	4.5
55.05506	9.1
57.03432	4.8
61.02923	1.5
64.61871	1.2
67.05499	8.6
69.07047	4.9
70.22046	2.3
71.04983	2.4
79.05484	15.4
81.03409	7.6
81.07043	11.0
83.01325	4.6
83.04977	6.6
83.08616	7.7
85.02896	4.6
91.03915	1.6
91.05462	8.3
93.07041	21.4
95.04952	4.6
95.08588	15.0
97.02902	2.6
97.06537	3.5
99.04476	2.7
105.07020	8.2
107.04935	6.2
107.08587	11.7
107.42757	1.4
109.06511	3.6
109.10168	2.4
111.04440	2.1
111.08082	1.8
113.73066	1.4
117.06967	4.9
119.08559	5.9
121.06476	2.8
121.10152	6.4
123.04462	1.6
123.08080	4.9
130.07784	1.5
131.08527	2.7
133.10072	2.0
135.11670	20.2
145.10120	15.5
163.03908	3.2
163.11162	25.8
181.12195	5.9
191.10767	1.6
209.11755	4.2
227.12743	20.9
245.98895	1.5
283.15366	100.0
284.15790	3.0
342.23761	1.2
491.26282	61.5
492.26358	3.8
497.14233	1.6
677.20709	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.01875	5.1
55.05510	21.7
56.63328	2.8
57.03429	10.6
65.03947	4.9
67.05505	53.1
69.03436	3.7
69.07068	28.9
69.15997	16.8
71.05001	6.5
75.41024	2.9
75.80917	2.8
79.05487	76.3
81.03415	54.0
81.07048	49.2
83.04970	21.8
83.08618	18.9
85.02918	15.9
85.06543	4.6
91.05466	61.4
91.05991	4.7
93.07040	74.4
93.07608	6.4
94.23489	3.0
95.04958	38.2
95.05451	3.6
95.08601	22.5
97.06553	5.1
97.10171	7.7
105.04533	5.0
105.07018	45.3
107.04972	8.1
107.08600	14.2
109.06494	7.4
109.10177	4.4
109.10918	3.4
111.08096	8.5
111.11716	10.6
115.05470	3.7
117.07022	12.0
118.96659	3.0
119.08591	26.1
121.10156	12.2
123.08064	6.5
129.06978	19.8
129.12767	17.9
131.08556	10.6
133.06406	3.6
133.10121	21.4
142.07776	3.3
143.08577	5.1
145.10130	6.8
147.08057	6.4
147.11658	38.4
149.02344	10.8
149.09599	5.6
157.10149	9.3
161.13260	8.2
167.03424	3.2
171.11684	24.9
175.11182	7.2
189.12764	12.7
193.12202	26.2
207.13821	28.2
211.13278	26.2
267.15897	30.8
277.14130	3.3
281.17471	100.0
282.17770	6.4
285.16959	30.1
378.50897	3.3
473.28836	75.3
474.29254	6.5
477.10843	8.7
491.30038	86.3
492.30069	4.4
657.15002	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	688.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	22.3
57.03436	13.5
67.05499	48.2
69.07063	50.9
69.08743	56.6
79.05487	75.5
81.03407	53.3
81.07047	36.4
83.04989	20.6
83.08616	17.4
85.02900	21.9
91.05460	56.2
93.07044	59.3
95.04981	28.5
95.08610	24.5
105.07014	44.2
107.04947	11.0
107.08607	23.4
107.94604	7.2
109.06535	10.0
109.10120	8.1
111.11688	11.2
118.97503	6.5
119.08578	29.3
129.06996	28.5
129.12729	25.1
129.42290	6.6
131.08566	9.2
133.10153	14.4
143.69525	7.7
145.10054	14.3
147.11737	43.7
147.12703	9.3
149.02362	8.7
157.10161	9.8
163.03938	12.1
167.03418	11.0
171.11685	19.6
184.07329	10.9
189.12701	8.5
193.12219	25.4
207.13844	28.5
211.13286	31.5
267.16010	33.3
281.17444	100.0
285.17035	28.9
371.54044	7.3
473.28815	85.5
491.29999	80.7
598.75043	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	689.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70003	0.6
62.50858	0.6
71.42195	0.5
80.68311	0.6
82.99813	0.8
101.00802	2.2
113.00802	0.8
119.01918	5.4
127.02332	2.0
129.00313	0.6
131.01881	3.0
137.01854	0.7
139.02325	0.9
143.01889	11.2
145.03465	4.8
147.01279	0.6
149.01891	0.6
155.01878	27.0
156.01952	0.8
157.03445	5.3
161.02953	7.8
164.02405	0.8
167.01814	2.9
169.03456	4.8
171.01273	1.1
173.02945	27.4
174.03035	1.3
175.04504	0.7
179.01688	1.0
181.03377	0.8
185.01231	0.9
185.02917	15.3
185.04462	1.2
187.04503	5.0
190.28409	0.6
194.03427	0.8
196.04610	0.5
197.02939	6.1
197.06595	0.6
199.04428	2.0
203.03935	10.6
203.05553	0.7
209.02971	1.4
211.04292	0.7
215.04013	6.2
221.04915	0.7
224.04329	0.7
227.04030	3.1
229.05449	1.5
239.03944	0.9
245.05052	20.9
246.05125	0.8
254.05547	0.6
257.05026	7.8
258.62253	0.6
260.05646	0.6
262.05362	0.6
263.06122	3.9
269.05008	1.0
271.06522	0.8
275.06052	2.4
287.06067	4.1
293.07135	1.2
296.06641	0.7
299.05814	0.7
304.87650	0.6
305.07111	6.7
317.07043	1.1
323.08264	1.1
326.07767	1.0
347.08224	30.5
348.08328	1.6
353.04321	0.6
365.09692	21.4
402.97821	0.6
407.10315	100.0
407.60275	1.0
408.10583	4.9
422.10745	1.0
427.89795	0.7
437.11447	5.9
437.61423	1.4
467.12668	13.2
468.12543	0.9
509.14407	1.6
527.15784	48.3
528.16125	2.1
689.21033	46.1
690.21527	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	689.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13223	0.7
70.88324	0.9
71.65311	0.7
72.55296	0.7
86.01035	0.8
101.00852	1.3
103.65691	0.9
107.57779	0.7
116.46062	0.7
119.01825	2.6
127.02269	0.8
127.94215	0.7
131.01828	1.8
143.01913	6.2
145.03368	2.0
155.01874	13.9
157.03369	2.0
161.02946	4.5
164.02432	1.0
167.01801	1.6
169.03365	2.3
173.02975	10.2
182.03355	1.1
185.02859	5.1
185.04239	1.0
187.04500	2.0
197.02831	2.5
199.04485	1.4
203.03708	4.9
203.05521	1.4
215.03915	3.2
224.04510	1.4
227.03952	1.4
242.94440	0.7
245.05052	8.1
246.05280	0.9
254.05392	0.9
257.04929	2.6
263.06079	1.5
275.06778	0.8
278.37350	0.9
287.05994	1.5
290.95355	0.8
305.07462	2.9
311.07162	1.1
326.07611	1.2
347.08286	14.7
348.08493	0.9
365.10419	27.1
407.10309	40.6
407.60330	1.1
408.10535	2.7
437.11697	2.8
437.61273	1.0
452.12057	0.9
467.13065	7.9
506.76874	0.9
509.14511	2.2
527.15784	100.0
528.15796	3.5
689.21002	88.6
690.21649	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	689.2109
Annotation	CHEBI:131769
Peak:m/z	Relative Intensity
50.91230	1.2
60.40699	1.3
77.66383	1.3
112.89608	11.7
114.89365	6.6
142.99005	1.6
203.05379	2.8
259.64886	1.4
268.98395	2.1
305.08502	2.0
347.09448	4.0
365.10507	21.0
407.10779	4.5
467.13452	3.4
509.14774	3.1
527.15784	97.4
528.15967	4.9
610.54639	1.7
689.21008	100.0
690.21460	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	689.241
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35115	0.5
69.17794	3.2
90.30179	0.6
111.04453	1.0
122.03662	1.6
135.04376	0.6
137.05960	18.1
137.06990	1.0
139.03871	0.6
159.61072	0.5
161.06023	1.4
163.03912	1.2
181.05017	0.6
185.04153	2.8
203.05235	5.6
205.04715	0.5
205.06564	0.6
221.05954	0.6
249.05730	0.5
311.12698	0.7
347.09918	1.0
365.13812	1.2
383.14819	1.1
465.18881	14.6
466.19339	1.0
467.16843	0.7
509.18008	1.4
527.18939	20.0
528.19708	0.8
689.24060	100.0
690.24414	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	689.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78162	0.5
55.89454	0.4
57.51439	0.4
62.87322	0.4
64.49719	0.4
70.06587	0.6
89.03947	0.6
91.05499	0.6
93.03415	1.0
95.04998	0.8
99.04455	0.4
105.30583	0.4
107.04955	1.0
111.04424	2.5
123.04426	9.9
125.06002	0.5
131.04926	0.6
135.04427	3.5
137.02353	1.4
137.06001	0.7
139.03876	3.3
147.04436	0.5
159.04185	3.9
163.03906	4.4
181.04941	1.3
181.06485	1.0
185.04277	1.0
185.05833	1.4
193.06561	1.0
201.05396	0.5
203.03413	3.0
203.06725	0.6
204.07602	0.8
205.06668	0.7
211.07555	0.5
221.05956	3.9
223.07576	1.3
225.05533	1.6
225.18730	0.6
233.06017	0.7
239.07100	1.4
247.07666	0.5
249.05368	3.0
250.06223	0.5
251.07146	1.6
252.07008	0.4
253.04930	0.6
255.06506	3.9
256.07355	1.8
267.06485	2.7
269.04584	0.6
269.08069	0.6
271.09537	1.2
273.07669	1.1
274.08322	1.4
277.05063	1.8
278.05701	0.5
279.06378	2.3
281.04446	0.9
286.11771	5.4
287.12527	0.5
293.08157	0.5
295.05988	17.8
297.07571	4.3
319.11487	0.5
323.05579	4.2
325.06964	0.5
333.09698	0.7
347.11038	0.8
348.11688	2.5
353.06662	0.6
365.06821	0.9
429.09842	0.9
447.11020	1.6
465.18933	0.9
475.10236	2.5
483.19904	1.9
485.18439	0.6
488.59113	0.5
509.17749	0.7
525.21045	0.6
527.16595	0.6
545.20001	0.7
565.24060	4.1
567.21893	1.8
569.20074	0.5
627.24023	9.5
628.24463	1.1
629.22363	1.1
671.22638	0.8
689.24066	100.0
689.48950	10.8
690.24506	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	689.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05502	0.9
57.03432	1.2
59.50759	0.5
60.70336	0.4
61.02931	3.0
62.61758	0.4
67.05505	3.9
67.60808	0.5
67.71185	0.4
69.03423	2.3
69.07059	1.0
70.33186	0.9
71.01394	0.5
73.02907	2.0
79.05484	5.5
81.03420	2.7
81.07050	3.4
83.04976	0.6
83.08621	0.7
85.02896	2.8
91.03952	1.6
91.05476	4.5
91.75921	0.4
92.89760	0.5
93.07027	4.1
95.04961	2.0
95.08622	1.7
97.02885	2.3
99.04433	0.5
101.02368	1.6
105.07031	3.3
107.05001	0.6
107.08574	1.1
109.02871	0.7
117.06995	0.6
119.08617	2.0
126.59784	0.4
127.03924	1.3
129.07011	2.2
133.10129	0.7
135.11772	0.4
137.53754	0.5
143.08563	0.7
147.08064	0.7
147.11684	2.5
147.23926	0.4
161.13307	0.5
171.11699	1.3
207.13737	0.7
243.08409	1.9
247.13115	2.0
250.82245	0.4
281.17435	0.6
303.15530	1.0
465.20975	12.9
466.21423	0.5
519.89240	0.5
593.73956	0.5
689.34973	100.0
690.35315	8.4
717.14648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
51.83862	0.9
55.01869	0.8
55.38126	0.8
65.03938	3.2
79.05556	0.8
85.33427	1.0
89.03917	2.7
91.05490	1.9
93.03405	4.6
95.04950	1.7
103.05471	1.5
107.04945	7.4
111.04429	11.2
115.05506	1.3
117.03421	1.5
119.04939	1.7
123.04424	60.8
131.04950	2.5
135.04417	20.4
137.02354	4.2
137.06001	1.9
139.03886	17.9
141.07043	1.1
143.04977	1.7
147.04443	2.9
151.03963	1.6
153.06998	1.1
159.04326	2.0
161.06068	1.0
163.03899	23.8
165.07034	3.6
177.05478	0.9
179.03389	1.3
181.05009	7.2
181.06555	2.8
187.03964	2.7
193.06468	4.3
195.08109	1.3
197.06009	1.7
199.07603	1.0
203.03380	17.1
205.06535	3.3
209.05984	1.6
210.06755	1.8
211.07552	2.2
221.05969	18.3
222.06805	1.6
223.07518	6.0
225.05455	7.2
233.06084	2.7
237.05536	1.4
238.06354	1.4
239.07018	5.8
245.08212	1.3
247.07634	2.2
249.05467	16.8
250.06157	3.1
251.07011	6.8
252.04300	1.8
253.04858	4.8
255.06496	19.9
256.07281	13.2
261.05533	1.4
263.07111	3.7
267.06485	13.0
269.04587	1.6
269.08026	1.5
273.07648	7.2
274.08344	8.0
275.07114	2.9
277.04950	9.6
278.05698	2.9
279.06494	11.0
280.06995	1.1
281.04437	5.0
281.07581	1.0
283.06067	2.5
286.11902	1.4
291.06583	2.4
293.08194	2.4
295.06000	100.0
296.06345	5.2
297.07556	23.2
298.07898	1.7
305.04547	2.4
307.06058	2.3
309.07782	3.0
319.06161	3.1
321.07645	3.3
323.05453	20.9
324.06186	2.2
325.07129	3.3
335.05518	2.9
337.07016	1.2
347.05399	1.2
353.06732	3.8
365.06726	3.3
400.30811	1.1
401.10397	1.9
411.08447	1.4
429.09747	5.4
447.10706	8.5
457.09509	2.5
475.10333	13.9
476.10782	1.1
493.11481	1.6
507.69342	1.1
546.20703	1.3
566.24585	1.0
568.22638	1.1
628.24664	3.1
689.48987	4.0
690.24426	31.8
690.49963	2.9
691.25183	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
67.74194	0.4
69.26749	1.2
69.27158	0.9
77.03913	0.5
79.05472	1.9
81.03416	0.8
89.03915	3.9
91.05444	0.9
95.04969	2.0
95.11597	0.4
105.03381	1.4
106.60456	0.4
107.04941	2.2
109.02868	0.8
117.03374	4.2
123.04417	53.0
124.04782	0.9
134.03633	2.6
135.04401	19.9
136.04736	0.5
137.02327	2.3
145.02835	5.6
147.04387	2.6
149.02263	1.2
150.05472	1.1
163.03888	100.0
164.04185	1.9
165.06973	0.6
176.04648	0.5
177.05536	0.6
191.03365	18.5
192.03726	0.4
204.04150	0.7
207.89952	0.4
209.04358	2.2
211.07382	0.7
221.05876	1.0
223.07559	0.5
239.07085	1.2
251.07220	0.5
267.06558	2.4
268.07236	1.0
271.05942	1.8
285.07547	46.6
286.07941	2.1
288.10483	0.4
313.07031	9.5
314.07498	0.9
331.08096	4.6
371.07599	1.3
447.11148	0.5
493.11249	80.2
494.11612	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	690.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76027	1.9
58.00039	1.6
65.03935	10.1
66.66229	1.7
69.16211	12.5
74.88333	1.6
78.22839	1.5
79.50148	1.7
89.03937	2.9
91.05477	6.8
93.03403	14.8
95.04974	2.4
107.04937	17.0
111.03685	3.3
111.04439	53.1
112.08218	1.7
115.05461	6.7
117.03332	2.7
119.04913	3.5
123.04423	33.8
131.04904	1.8
135.04401	59.4
137.02328	10.6
137.06052	2.5
139.03893	100.0
143.04901	5.7
147.04399	3.6
153.05437	2.3
159.04446	1.7
161.05997	12.8
163.03885	27.4
165.06960	3.7
177.07030	2.1
181.04939	69.4
187.03886	4.8
193.06462	5.8
197.05942	2.6
203.03418	7.1
205.04935	7.9
205.06551	4.5
205.68288	1.9
211.07614	1.7
213.01833	3.3
221.05998	23.0
223.07530	6.9
225.05484	9.3
231.02914	7.0
231.06483	2.1
233.06004	3.8
239.07031	7.5
244.27838	1.7
244.81525	1.8
247.07544	5.2
249.05475	30.2
251.07149	8.7
252.04248	2.4
253.04939	6.2
255.06525	6.0
261.05289	2.8
267.06482	12.9
268.07309	1.9
269.08209	2.6
271.06012	16.0
275.07053	4.6
277.04947	24.4
278.05612	2.5
279.06445	16.3
281.04468	8.1
285.07816	2.1
293.07806	2.7
295.05994	65.6
296.06442	2.2
297.07571	4.6
305.04501	3.1
309.07721	2.5
313.07065	8.0
323.05481	81.4
324.05960	5.9
325.07031	5.1
337.07263	2.1
341.06558	8.9
353.06458	3.0
355.09732	2.3
359.08966	3.0
360.18774	1.9
365.06784	6.3
383.09042	5.7
387.08713	13.9
388.09155	2.9
401.09952	3.6
411.08328	6.4
413.10229	2.9
415.08041	11.7
429.09637	12.4
447.10666	11.3
457.09079	7.5
475.10211	14.6
493.11230	3.8
521.10895	23.6
585.47058	2.0
673.14648	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25069	1.8
77.28884	1.8
89.03917	5.4
117.03362	4.0
123.04427	26.2
134.03650	2.2
135.04414	22.5
137.02328	2.0
139.03918	3.9
145.02852	7.1
162.90401	2.0
163.03903	100.0
164.04234	2.5
173.02341	2.8
186.58997	2.0
191.03407	9.3
218.57188	2.1
253.25769	2.1
267.06479	2.3
285.07590	22.0
295.05960	7.8
313.07043	6.0
331.08350	2.6
451.27130	2.2
493.11191	28.5
535.70544	2.2
541.38947	2.1
690.20721	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	690.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16690	0.8
65.03944	2.4
77.03942	1.0
86.12516	0.8
91.05482	1.6
93.03400	2.4
95.04951	1.3
98.35388	1.0
107.04935	6.1
108.54100	0.9
111.04449	9.0
117.03408	2.1
118.95197	0.9
123.04415	55.9
131.04895	2.2
135.04402	20.6
137.02423	5.0
137.03336	1.5
139.03880	14.9
147.04440	2.2
150.50511	1.1
151.03922	1.8
153.05502	1.7
153.06953	1.6
159.04398	2.7
163.03893	21.2
163.05144	1.8
164.04387	1.1
165.07043	2.7
166.38467	1.0
176.06149	1.0
177.07045	1.6
181.04968	6.7
181.06470	2.3
187.03865	2.5
193.06534	3.5
197.05995	1.4
203.03368	14.9
205.04788	1.3
205.06493	3.8
209.05930	1.4
209.09807	0.9
210.06668	1.1
211.07518	2.2
219.07970	1.1
221.05930	16.0
223.07518	4.4
225.05421	7.2
227.07043	1.3
233.06009	2.9
237.05429	1.2
239.06985	5.8
245.05878	1.0
245.08160	1.7
247.07542	2.2
249.05440	12.7
250.06123	1.8
251.07005	6.9
253.04942	4.5
255.06474	18.5
256.07254	10.3
257.06143	0.9
263.07114	1.9
266.05710	1.5
267.06439	10.9
269.08081	2.1
271.05960	1.2
273.07642	8.8
274.08337	6.8
275.06885	1.9
277.04974	8.9
278.05466	1.3
279.06534	9.5
280.07251	1.1
281.04486	3.5
281.07574	0.9
283.06018	2.4
291.06433	1.9
293.08105	2.6
295.05981	100.0
296.06378	5.9
297.07535	22.1
303.06531	2.2
305.04410	1.3
307.06006	2.0
309.07639	2.2
319.05920	2.6
321.07526	2.1
323.05450	18.1
324.06125	2.0
325.07025	4.0
335.05515	2.6
336.77283	1.1
337.07297	1.1
353.06509	4.3
355.09705	1.7
365.06778	1.2
401.10336	1.4
411.08603	1.4
419.11328	1.3
429.09659	3.9
439.07986	1.2
447.10837	7.5
457.09146	2.0
475.10165	9.6
628.24225	2.3
689.48901	1.7
690.13000	1.5
690.24432	25.6
690.49500	1.4
691.25165	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
55.01847	0.6
61.02900	1.2
67.05209	0.5
67.05492	5.5
69.03418	3.4
70.03237	1.1
70.03594	0.8
73.02892	1.3
77.07353	0.5
81.03393	1.8
85.02900	7.5
85.03371	0.5
87.04446	0.8
91.03963	0.6
94.06548	7.6
95.04958	1.1
97.02901	2.5
99.04438	0.7
106.06524	1.5
107.04936	0.8
109.02847	1.3
110.02498	0.5
111.04430	0.7
122.06013	16.7
127.03904	1.6
135.04405	0.6
139.03941	0.9
140.07008	1.0
145.02852	0.7
145.04948	0.9
150.05490	85.5
151.05838	1.9
152.07101	0.8
162.05399	0.6
163.03883	2.0
164.07031	0.7
168.06546	100.0
169.06841	1.5
203.78233	0.5
222.09003	0.9
238.08672	0.8
240.10089	0.7
248.07071	0.8
250.08566	1.8
266.08139	2.2
267.08817	1.5
268.09644	3.9
286.10724	2.2
294.07687	1.7
312.08728	2.0
330.11829	60.7
331.12167	1.3
357.68314	0.6
492.13376	1.9
510.14691	1.9
528.14886	0.9
672.19324	2.5
688.23383	0.6
690.20166	25.9
691.20380	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01870	4.3
55.05504	13.0
57.03439	8.9
59.04995	1.3
60.11796	1.3
61.02919	3.0
64.51820	1.1
67.05497	17.3
69.03422	3.2
69.07051	6.9
69.24046	8.1
71.04988	3.2
73.02920	1.8
76.82455	1.3
77.03912	1.7
79.05491	24.0
81.03413	32.8
81.07052	21.4
83.01347	1.6
83.04966	8.1
83.08611	17.4
85.02895	15.6
85.06509	1.6
89.65684	1.4
91.05464	21.9
93.07029	27.7
95.04962	18.3
95.08599	23.5
97.02893	5.3
97.06528	3.5
97.10166	2.1
99.04462	1.9
105.04509	1.6
105.07013	13.4
107.04959	8.5
107.08584	18.5
109.06538	3.3
109.10123	3.1
111.04428	4.1
111.08055	5.7
113.06033	1.7
117.07009	4.9
119.08595	12.7
121.06519	4.3
121.10117	11.3
123.04421	3.7
123.08076	2.0
124.14383	1.5
125.06010	1.6
127.03890	1.5
129.06989	5.5
131.08514	6.5
133.06544	1.9
133.10156	7.0
135.04414	4.0
135.08025	1.9
135.11684	26.2
142.07806	2.0
145.02846	2.5
145.10114	18.4
147.08055	2.6
147.11667	8.0
149.09595	3.6
157.10132	7.0
163.03917	13.1
163.11163	38.6
165.12665	1.3
175.11172	9.5
181.12206	6.9
184.07379	1.7
193.12219	21.8
209.11731	2.5
211.11423	2.8
211.13287	30.9
227.12752	41.0
267.15854	24.3
283.15366	52.8
284.15851	2.9
285.07425	2.5
285.16937	47.0
286.17255	1.9
295.05807	1.7
313.07019	2.5
409.21274	1.6
457.25705	1.6
475.26825	28.9
476.27069	2.7
493.11279	4.4
493.27908	100.0
494.28049	7.0
586.28821	1.7
690.32251	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	690.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01860	9.0
55.05505	19.5
57.03428	12.8
57.07051	1.4
59.04997	2.5
60.10168	1.0
60.71507	1.0
61.02911	4.2
64.78738	1.0
65.03915	2.3
67.05496	22.3
69.03410	4.1
69.07056	6.3
69.07348	1.0
71.01337	1.4
71.04972	5.7
73.02898	2.2
79.05479	29.6
81.03406	55.5
81.07044	29.6
83.01334	4.2
83.04974	19.3
83.08605	23.5
85.02888	20.9
85.06523	2.4
86.86181	1.1
88.37192	1.1
91.03932	2.4
91.05463	26.1
93.07032	30.9
95.04956	25.3
95.08580	12.4
97.02890	7.3
97.06498	5.3
97.10155	4.6
99.04473	1.8
103.05434	1.2
105.07011	21.1
107.04934	9.5
107.08584	13.0
109.06503	9.2
109.10139	3.4
111.04456	5.5
111.08041	6.6
113.05984	2.6
115.05426	1.7
117.06995	7.1
119.08553	18.6
121.06483	2.4
121.10129	12.8
123.04394	2.9
123.08047	7.8
123.11661	1.3
125.05997	1.8
125.09568	1.5
127.03902	1.5
129.06976	7.8
129.70964	1.0
130.07751	1.1
131.08542	10.8
133.10141	6.7
135.04402	4.1
135.08020	2.4
135.11688	7.4
137.09563	2.6
139.03902	1.9
142.07774	3.2
145.05006	1.2
145.06445	1.2
145.10107	11.8
147.08022	2.5
147.11679	11.3
149.09593	4.6
153.12747	1.7
155.08490	1.2
157.10103	8.7
163.03891	13.9
163.11160	16.9
165.12756	2.0
169.13788	1.1
173.09592	3.1
175.11150	11.2
181.05000	1.6
185.04282	1.2
191.03391	1.4
191.10706	1.5
193.12225	30.9
209.11684	4.9
211.13255	51.7
227.12772	3.4
267.15909	10.7
283.15356	59.2
284.15656	2.5
285.07471	2.6
285.13818	2.2
285.16907	38.3
286.17322	2.3
383.22107	3.0
383.42966	1.2
401.23376	2.1
457.25784	4.5
475.26837	14.5
481.25003	1.1
488.80801	1.1
493.27896	100.0
494.28421	5.9
537.41144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
55.05532	0.9
69.85715	1.5
71.58482	0.8
73.22977	0.8
93.03393	0.9
97.91875	1.0
98.22752	1.2
107.04977	1.5
111.04440	3.2
114.42263	0.8
123.04418	12.5
124.04718	3.9
135.04414	4.9
136.04756	1.8
137.02414	1.5
139.03897	3.2
143.84131	0.7
159.04262	2.0
163.03902	4.9
164.04326	1.2
165.07019	0.9
177.07069	1.3
181.04967	2.0
203.03416	2.8
203.05255	2.3
204.03702	0.9
221.06081	2.5
222.06316	2.5
225.05489	1.7
240.07487	1.0
249.05463	3.2
250.05867	2.8
251.07126	1.2
252.07480	1.4
253.05130	1.4
255.06551	3.0
256.07074	2.8
257.05142	1.0
257.07639	1.6
267.06488	2.0
268.06943	2.1
273.07449	1.4
274.08249	1.8
277.05017	1.1
278.05469	2.3
279.06577	1.9
280.06995	1.5
282.04483	1.1
286.11835	3.3
295.05997	14.4
296.06332	11.0
297.07465	3.2
298.07968	3.7
323.05597	3.4
324.05890	2.6
348.11661	1.7
385.16086	1.4
448.11157	1.6
467.20419	28.9
475.10834	1.4
476.10590	2.4
511.19345	2.5
529.20331	21.4
529.27838	1.4
530.21301	1.3
629.24615	1.2
690.40363	0.6
690.49579	20.7
691.25409	100.0
691.49768	6.9
692.25842	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	691.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80772	0.5
65.84244	0.6
82.97417	0.6
84.08150	0.7
94.07439	0.5
116.28588	0.5
117.03390	1.0
119.56693	0.5
121.02856	0.7
122.03705	0.6
131.04936	0.6
134.48399	0.6
135.04434	1.3
137.06003	4.0
145.02873	0.8
147.04459	0.9
163.03847	2.9
164.04295	1.0
185.04213	18.6
203.05228	8.0
240.98216	0.6
341.78964	0.7
347.09482	11.0
367.15295	2.3
467.20416	8.0
468.21146	0.8
529.20428	14.9
530.20758	1.4
691.25610	100.0
692.25903	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05499	1.2
57.03432	2.3
59.05015	0.5
61.02924	6.7
65.03973	0.4
67.05501	8.5
69.03425	3.8
69.07076	1.0
69.56808	1.5
71.04994	0.5
73.02911	4.5
79.05486	3.2
81.03420	1.9
81.07052	4.5
85.02888	6.7
87.04463	0.8
91.03939	3.6
91.05485	1.8
93.07024	3.8
95.08592	3.6
97.02892	5.6
99.04469	1.0
101.02369	2.2
103.03938	0.8
105.07038	1.5
105.97115	0.4
107.08588	1.5
109.02888	0.9
109.10143	6.5
117.06954	0.6
119.08595	1.8
121.10142	1.2
123.11696	0.6
127.03927	1.9
131.08618	0.8
133.10153	0.6
135.11713	0.5
137.09596	0.6
154.14780	0.5
163.14885	0.4
164.79091	0.4
178.19728	0.4
195.09972	0.9
203.05211	0.6
216.25597	0.5
243.08371	2.2
335.25748	0.9
413.17767	5.0
519.29272	8.3
519.36426	0.7
581.40497	0.5
691.40186	100.0
692.40576	8.9
699.33679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.01883	0.4
55.05500	1.3
56.17566	0.3
57.03438	2.0
61.02924	4.8
67.05500	8.1
69.03429	2.9
69.07068	0.8
71.01356	0.4
71.04985	0.7
72.22204	0.4
73.02917	3.9
79.05476	1.8
81.03427	1.5
81.07049	3.5
83.04987	0.4
83.08635	0.7
85.02901	4.2
88.00928	0.3
91.03943	3.3
91.05494	1.4
93.07008	2.3
95.08586	2.5
97.02879	4.3
99.04460	0.8
101.02380	1.4
105.07026	0.6
107.08607	1.4
109.02911	0.8
109.10142	8.3
119.08601	1.3
121.10119	0.6
127.03939	1.3
131.08591	0.5
135.11665	0.5
137.09627	0.4
145.10233	0.6
155.10669	0.8
159.11804	0.3
173.11723	1.8
185.04164	0.5
195.10007	0.7
229.14394	1.0
232.79297	0.4
243.08351	1.8
254.79347	0.3
335.25732	0.7
377.94556	0.4
413.17801	8.5
414.18008	0.5
491.87070	0.5
519.29205	4.6
691.40179	100.0
692.40564	6.9
695.20996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
55.05507	18.4
57.03432	16.8
61.02920	5.2
65.03960	1.9
67.05163	1.8
67.05505	26.5
69.03426	6.8
69.07066	8.3
69.22903	6.5
69.29515	1.3
70.50746	1.2
71.04980	5.8
73.02921	1.8
79.05488	32.3
81.03411	80.1
81.07055	33.1
82.03747	1.7
83.04977	21.9
83.08611	30.4
85.02896	32.0
89.91939	1.4
91.02546	1.3
91.03955	2.4
91.05470	41.0
93.07039	19.9
95.04962	33.1
95.08590	12.6
97.02895	4.7
97.06509	4.4
97.10145	4.5
98.22734	3.3
102.89362	1.3
105.07027	27.3
107.04948	8.7
107.08573	7.6
109.06525	4.1
109.10140	2.5
111.04450	2.6
111.08066	9.2
111.85168	1.3
113.06002	3.9
115.05482	1.6
117.07049	2.2
119.08570	26.4
121.06483	2.0
121.10161	11.5
123.08081	3.0
125.05881	1.3
125.09655	2.4
129.06993	13.0
131.08549	14.0
133.06522	3.3
133.10117	15.1
140.64351	1.5
142.07816	2.8
145.10120	1.9
147.08043	4.5
147.11665	19.2
149.09625	8.1
157.10114	21.3
163.03876	3.7
164.04105	2.3
165.12726	5.1
167.16093	1.4
175.11182	19.0
193.12228	59.8
211.13269	100.0
212.13620	2.1
267.15894	37.5
285.16931	86.8
286.17252	3.3
341.15704	1.7
367.22638	4.1
385.23749	4.9
433.26041	1.5
459.27472	22.5
460.27740	1.3
477.28436	26.5
478.29138	1.4
495.29514	70.9
496.29471	2.9
505.85382	1.4
524.87561	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01866	6.0
55.05509	32.6
55.05777	1.6
57.03424	19.5
57.07066	1.5
59.04994	4.5
61.02924	10.1
65.03944	2.2
66.58748	1.1
67.05500	100.0
69.03432	3.7
69.07061	16.7
71.04974	4.8
73.02911	4.8
77.03953	1.3
79.05487	37.4
79.96316	1.1
81.03403	13.6
81.07050	70.4
82.07398	1.4
83.04977	11.6
83.08616	20.4
85.02901	18.6
85.06541	6.0
87.04453	5.5
91.03969	3.1
91.05471	24.9
93.07037	38.0
95.04957	9.7
95.08596	23.2
97.02914	5.8
97.06528	9.1
97.10152	14.6
99.04472	1.5
99.08122	1.8
103.03961	1.5
105.04511	2.4
105.07015	12.2
107.04964	3.0
107.08581	24.7
107.09679	1.5
109.06533	4.1
109.10152	45.4
111.04436	1.8
111.08084	5.6
117.07008	8.4
119.08568	9.8
121.06524	2.1
121.10121	7.8
123.08075	4.2
123.11707	4.6
125.09627	12.3
127.03960	2.4
129.05499	5.7
131.08577	8.1
133.06567	1.9
133.10121	12.7
135.08109	2.4
135.11685	10.2
137.09575	2.9
143.06961	1.6
143.10658	2.9
145.10143	4.2
147.08005	1.2
147.11687	5.0
149.09573	2.1
149.13240	13.4
151.11174	2.0
153.12749	3.8
155.10652	3.2
157.10138	1.9
159.11696	6.5
163.11168	8.1
163.86089	1.3
165.12740	3.3
173.09573	1.7
173.11745	15.4
173.13120	2.0
177.12761	5.6
181.12250	3.6
191.10715	3.2
193.12222	5.0
195.13750	15.4
196.17093	1.2
199.13208	7.1
209.11710	7.9
211.13264	3.4
213.14844	2.6
227.12769	8.4
229.14328	50.8
230.14670	1.6
239.16425	3.1
257.13727	1.6
267.15872	9.2
269.17450	60.9
283.15381	4.6
285.16870	1.4
301.16418	19.7
313.16333	1.3
393.26169	2.2
411.27338	6.2
423.21912	2.5
423.27356	33.2
424.27792	1.7
431.27872	2.3
451.26270	1.7
477.28204	1.7
495.29468	56.1
496.29785	4.0
513.30524	24.5
693.31970	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	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.01865	7.7
55.05507	37.9
57.03427	20.9
57.07073	2.2
57.98442	1.8
59.04995	2.7
61.02922	9.8
65.03932	2.5
67.05500	100.0
69.03432	4.9
69.07063	19.7
71.04990	8.0
71.43489	1.8
73.02921	5.7
79.05487	40.4
81.03406	14.6
81.07049	79.0
83.04987	8.6
83.08618	23.2
85.02894	17.2
85.06544	4.7
85.72202	1.7
87.04471	4.5
90.24245	1.6
91.03924	3.7
91.05473	30.3
93.07040	42.3
95.04951	9.5
95.08599	21.6
97.02891	8.6
97.06521	10.6
97.10162	17.0
99.04453	2.4
105.07034	13.2
107.04971	5.1
107.08580	28.1
109.06517	2.9
109.10148	55.4
111.08084	9.1
117.06985	8.3
119.08567	11.4
121.06519	3.1
121.10115	11.4
123.08038	3.1
123.11681	3.4
125.09620	12.4
129.05504	7.3
129.06993	2.4
131.08586	10.0
133.10114	12.0
135.08047	2.2
135.11696	10.4
137.09596	3.6
143.10582	2.5
145.10124	5.9
147.08032	2.1
147.11681	4.1
149.09596	1.8
149.13237	14.6
151.11191	2.4
153.12767	2.2
155.08543	2.0
155.10635	3.3
159.11664	9.5
163.11160	9.9
165.12778	3.4
173.09575	2.8
173.11739	17.1
177.12733	4.7
191.10645	2.4
193.12259	5.9
195.13805	13.4
199.13220	8.3
209.11722	7.0
211.13193	1.8
213.14867	2.6
227.12750	7.9
229.14331	50.8
239.16499	3.3
244.27048	1.8
257.13849	3.1
267.15778	8.7
269.17453	52.4
269.20322	3.6
270.18015	2.9
283.15393	5.7
297.17014	2.2
301.16333	21.4
391.18558	1.6
393.26453	2.0
411.27484	4.4
423.21954	2.8
423.27390	34.9
424.27655	2.3
463.30508	2.1
477.28253	1.9
495.29382	53.1
496.29575	2.3
513.30511	21.6
693.32056	24.2
705.33502	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03949	1.2
55.01875	1.6
55.05507	12.7
57.03437	6.3
57.07060	2.7
59.04999	1.6
60.79451	0.6
61.02916	3.0
65.03927	2.4
67.05499	57.8
68.05824	0.8
69.03435	1.4
69.06709	1.1
69.07064	14.2
69.15993	4.5
71.04986	16.6
73.02905	1.6
77.03902	1.0
79.05488	23.9
80.49622	0.6
81.03419	2.6
81.07050	81.5
82.07392	1.4
83.04969	4.9
83.08615	11.5
85.02892	3.2
85.06537	7.0
91.03949	0.7
91.05029	0.4
91.05473	19.6
93.07037	39.2
94.07387	1.0
95.04958	5.6
95.08595	13.2
95.69515	0.6
97.02896	1.4
97.06515	7.9
97.10167	2.4
98.22690	1.4
99.08096	2.4
100.51776	0.6
105.04493	1.0
105.07011	9.3
107.08585	23.8
109.06526	2.5
109.10144	8.2
111.08066	5.1
113.09628	0.9
117.06995	5.7
119.08570	1.9
121.06484	0.7
121.10136	14.0
123.11684	9.7
125.09615	1.2
131.08543	5.8
133.10124	11.3
133.86935	0.6
135.08025	1.3
135.11693	5.3
149.09625	1.1
149.13240	20.1
150.13570	0.7
151.11197	4.7
159.11674	10.5
165.12756	0.8
167.14240	0.7
169.12241	0.8
173.11688	0.9
177.12723	5.5
183.13828	1.8
187.13339	2.5
195.13780	6.4
213.14876	1.7
229.14333	3.9
267.15891	0.9
269.17447	21.2
301.19986	6.5
341.68045	0.6
342.36264	0.7
423.27420	2.6
437.28949	41.7
438.29254	1.4
445.29227	0.9
451.30463	7.8
463.30499	100.0
464.30902	6.4
495.33267	32.0
496.33209	2.2
572.29242	0.8
621.93658	0.8
639.38483	0.9
693.52814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01877	3.0
55.05258	1.5
55.05508	19.4
55.68507	1.3
57.03430	11.1
57.07072	1.8
59.05000	2.2
61.02921	6.6
61.50040	1.3
65.03928	1.8
67.05501	77.9
69.03429	3.0
69.07064	14.6
71.04990	16.1
73.02921	2.7
74.94713	1.1
79.05492	31.8
81.03411	6.2
81.07053	100.0
81.09584	1.1
82.07413	1.6
83.04982	4.9
83.08609	16.5
85.02900	7.8
85.06542	7.6
87.04461	2.8
91.03928	2.4
91.05474	29.5
93.07043	38.6
95.04950	6.7
95.08598	19.3
97.02890	5.1
97.06498	6.7
97.10163	6.2
99.08136	1.5
105.07021	10.2
107.04971	2.1
107.08587	23.6
109.06528	2.9
109.10143	23.7
109.21920	1.3
111.08092	3.5
117.07009	8.9
119.08587	4.4
121.10134	10.7
123.08083	2.6
123.11699	12.4
125.09643	2.6
129.05521	1.7
131.08574	7.7
133.10118	23.7
135.08057	2.3
135.11674	7.4
137.09628	1.2
145.10158	1.6
146.84824	1.4
147.11685	2.1
149.13235	12.3
151.11166	7.6
157.10112	1.3
158.96004	1.2
159.11734	6.4
161.13377	1.5
163.11110	2.2
167.25603	1.1
173.11737	6.8
177.12747	5.2
178.06833	1.1
181.12271	1.6
183.13895	1.5
187.13309	3.1
195.13794	15.5
199.13345	2.5
201.14819	1.7
213.14780	1.8
225.14790	2.3
227.12767	2.4
229.14345	24.2
267.15915	2.1
269.17459	44.4
283.15491	1.3
301.16400	7.1
301.20050	12.4
346.57184	1.3
411.27597	2.1
419.27356	1.4
423.27466	15.3
437.28912	53.4
438.29099	2.1
451.30551	5.4
463.30600	20.5
495.33481	66.9
496.33191	4.6
513.30676	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	693.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.5
54.51076	0.4
55.01872	0.7
55.05499	2.0
57.03431	1.8
61.02923	4.2
66.92622	0.4
67.05499	2.6
69.03443	2.2
69.07059	0.8
70.50412	0.9
71.04986	0.6
73.02907	2.9
79.05482	2.9
81.03416	3.0
81.07050	3.6
83.01355	0.5
83.04956	1.3
83.08613	1.9
85.02902	3.6
86.09711	0.7
91.03957	2.4
91.05478	1.7
93.07039	4.2
95.04958	1.3
95.08604	1.8
97.02889	3.4
97.06503	0.5
99.04444	1.2
100.83605	0.5
101.02373	1.2
105.07022	1.3
107.04960	1.2
107.08575	2.8
109.02836	0.8
109.06514	1.0
109.10143	0.4
113.21004	0.5
117.07005	0.8
119.08576	1.8
121.06526	0.5
121.10137	1.4
123.08038	1.0
125.09640	0.5
127.03959	0.7
129.06992	0.5
131.08464	0.5
133.10158	0.6
135.11636	2.7
145.10088	2.9
163.11143	5.3
174.28218	0.5
181.12268	0.7
184.07394	0.8
185.04247	0.4
193.12178	0.5
200.57849	0.6
203.05295	0.6
209.11716	0.6
227.12843	2.1
243.08429	2.5
249.10921	6.9
267.15878	0.8
269.17535	0.6
283.15417	0.7
285.16913	0.6
290.33713	0.5
305.13660	1.9
447.27405	0.9
467.18863	14.5
478.28836	0.9
496.29645	0.9
693.30811	100.0
694.31262	7.6
714.39185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01868	0.6
55.05514	1.6
57.03440	1.6
61.02914	4.2
67.05493	4.1
69.03432	2.5
69.07050	1.0
69.11146	3.5
72.34748	0.7
73.02908	3.2
73.26457	0.5
75.97578	0.5
79.05489	6.2
81.03417	3.9
81.07047	4.7
83.04982	1.1
83.08620	1.2
85.02896	4.3
87.83591	0.5
91.03959	2.2
91.05470	3.3
93.07031	5.5
94.07354	0.5
95.04977	2.4
95.08611	1.7
97.02904	3.6
97.10149	0.9
98.22707	1.2
99.04479	0.9
101.02373	1.1
105.07017	3.1
107.04950	1.0
107.08589	1.9
109.02886	1.3
109.06519	0.7
111.08074	0.5
117.07001	0.8
119.08601	2.0
121.10136	1.2
123.08022	0.5
127.03922	1.8
129.07027	1.9
131.08551	0.7
133.10155	2.0
143.08556	0.7
145.10156	0.7
147.11745	2.4
161.13258	0.7
171.11710	1.3
185.04208	0.7
193.12328	0.6
203.05211	0.7
243.08438	2.0
247.13045	0.8
251.12579	1.4
303.15628	0.7
316.99304	0.5
434.48541	0.5
465.20874	9.2
469.20319	4.9
478.28821	1.5
496.29929	1.1
521.53601	0.6
649.31464	0.7
693.34454	100.0
694.34906	6.5
695.48706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05506	2.0
57.03434	2.1
60.83086	0.6
61.02927	3.7
67.05498	4.3
69.03424	3.2
69.07070	1.6
69.71556	1.1
69.71946	0.9
71.01330	0.6
71.04988	0.8
73.02913	2.1
79.05479	4.0
81.03410	3.4
81.07046	5.3
83.04981	1.9
83.08622	1.4
85.02893	7.0
91.03957	2.6
91.05470	5.2
93.07033	3.9
95.04954	2.6
95.08600	1.3
97.02875	3.1
101.02397	1.5
102.45783	0.6
105.07023	2.9
107.04933	0.7
107.08597	2.1
109.02900	0.9
109.06521	0.7
109.10102	0.6
117.07012	0.8
119.08556	2.9
121.10146	0.9
127.03928	0.9
129.07021	0.6
131.08560	1.7
133.10150	1.6
135.11707	0.8
147.11688	1.8
157.10188	1.1
171.11670	0.8
172.46152	0.7
175.11259	1.0
193.12329	1.0
203.05135	0.6
243.08533	1.8
247.13097	1.6
301.16806	0.7
313.45294	0.6
465.20889	4.6
469.20325	8.9
478.28732	1.2
496.29840	0.7
622.33527	0.7
640.35175	0.6
649.31946	0.9
693.34491	100.0
694.35004	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	693.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.05511	2.4
57.03447	2.0
61.02916	4.0
67.05499	8.5
69.03428	3.2
69.07062	2.0
69.77607	1.2
69.77931	0.8
71.04621	0.6
71.04998	1.5
71.26448	0.7
73.02921	3.5
75.64458	0.6
79.05479	4.9
80.05825	0.6
81.03435	1.9
81.07050	9.7
83.04997	1.2
83.08614	1.3
85.02904	3.6
91.03957	1.9
91.05454	3.4
93.07042	5.4
95.04974	2.6
95.08619	2.4
97.02907	3.5
97.06551	1.4
97.10165	1.3
99.04429	0.7
101.02420	1.0
105.07043	2.2
107.04984	0.6
107.08576	4.2
109.06519	1.3
109.10155	1.0
117.07031	1.4
119.08614	1.8
121.10131	3.2
125.09579	0.7
127.03925	1.3
131.08583	0.6
133.10162	1.7
135.11717	1.1
143.08641	0.6
145.10165	1.6
147.11697	0.8
147.20638	0.6
149.13277	2.1
159.11702	1.5
167.10645	1.1
169.10222	0.5
171.11690	0.7
195.13748	0.7
223.13353	0.7
240.23842	0.5
243.08487	1.9
245.33986	0.6
263.71588	0.6
269.17551	1.8
270.17902	0.8
277.86884	0.5
424.27960	0.8
438.29355	0.9
453.20801	6.0
463.30798	1.3
464.31003	2.8
481.20569	4.7
496.33554	1.9
693.34491	100.0
694.35010	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	693.345
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82175	0.5
69.92226	1.4
84.73992	0.4
93.07007	0.4
98.23404	0.6
146.75099	0.5
196.33290	0.4
209.84634	0.5
209.92418	0.5
333.79431	0.5
693.34454	100.0
694.34705	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	693.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47904	1.7
71.42554	2.6
88.55971	1.9
102.20059	1.5
137.08459	1.8
151.05096	1.7
454.26117	2.1
693.34467	100.0
694.34668	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	694.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01875	0.6
62.84097	0.6
65.03937	2.4
67.05496	3.0
68.05033	0.6
69.39965	2.4
79.64279	0.6
81.03420	3.0
84.08109	0.6
85.02912	2.9
93.03419	0.7
95.04920	0.8
97.19899	0.7
109.02902	0.7
110.03653	1.1
119.03558	2.5
123.04426	0.7
125.06062	0.9
135.06699	1.7
136.06180	100.0
137.04559	3.1
140.04674	3.0
146.04607	1.5
148.06186	2.3
153.05478	2.3
155.07031	1.3
158.07132	1.1
159.06668	4.5
171.06517	3.8
173.08180	1.9
175.09753	1.5
178.07321	1.0
181.04945	66.6
182.05292	1.5
185.08214	23.0
186.08527	0.7
187.08533	1.3
202.10869	47.3
203.11195	1.3
220.11928	44.2
244.12047	0.7
254.10165	0.6
256.08325	1.5
259.66132	0.7
325.09219	1.6
334.15219	1.6
343.10168	0.8
352.16049	3.5
382.17001	1.0
429.86719	0.6
433.79834	0.7
562.21411	78.9
563.21808	3.1
632.37524	0.7
694.25446	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	694.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.05256	1.4
55.05510	14.1
57.03432	6.7
57.07064	3.3
61.02919	27.7
65.03916	2.6
67.05499	77.6
69.03413	3.9
69.07065	11.0
70.06573	1.1
71.04984	2.4
73.02913	10.7
75.04463	1.5
79.05484	40.3
80.05830	1.1
81.03397	1.3
81.07051	82.8
81.35758	0.9
83.04963	2.4
83.08613	6.9
84.99144	1.1
85.02403	1.8
85.02899	29.4
85.06522	2.0
91.03949	26.2
91.05472	19.8
91.21907	0.9
93.07040	57.2
95.04945	3.9
95.08598	62.3
96.08929	1.1
97.02874	11.0
97.06511	3.2
97.10145	3.2
97.26836	1.0
98.23414	3.4
99.04441	1.8
99.08060	2.9
101.02386	1.5
105.07013	19.2
107.08582	35.5
109.02869	1.3
109.06509	2.0
109.09418	2.0
109.10149	35.9
111.08063	1.9
113.09669	1.7
115.03870	1.4
117.07011	9.3
119.08563	14.9
121.10132	33.4
123.08105	2.2
123.11691	18.3
124.52261	1.0
125.09589	2.2
127.03884	8.0
131.07651	1.7
131.08549	20.8
133.10127	13.2
135.10651	1.4
135.11671	28.5
137.09738	1.5
137.13248	7.4
139.11165	1.6
145.04947	12.3
145.10115	17.3
147.11652	11.0
149.13243	20.2
151.11154	2.7
151.14804	3.1
159.11696	14.6
161.13237	12.8
163.06006	20.8
163.14815	17.0
165.12686	2.2
173.13243	16.4
175.14815	3.5
177.16386	5.2
179.14301	3.1
187.14792	10.0
189.16394	1.6
191.14244	1.8
201.16344	3.3
205.15909	2.2
205.25429	1.1
215.17899	1.9
219.17499	1.4
229.39452	1.0
233.22610	2.9
243.21056	32.1
261.22107	100.0
262.22467	3.1
263.23636	2.3
264.66483	1.0
279.23126	6.2
316.58038	1.0
335.21729	1.6
335.25787	35.6
353.26822	51.3
354.27066	2.2
379.28455	1.1
497.30981	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	694.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
53.64764	1.1
55.01851	1.2
55.05507	12.3
57.03427	5.0
57.07057	3.1
58.96003	0.9
61.02923	31.0
65.03927	1.8
67.05498	64.5
69.03417	3.8
69.07054	10.4
71.04971	2.6
71.08620	1.3
73.02906	10.4
74.50841	0.9
75.04458	0.9
77.50719	0.9
78.76973	0.9
79.05485	42.7
79.05947	2.5
81.03416	1.2
81.07049	69.6
83.04983	1.3
83.08611	6.4
85.02893	32.9
85.06519	1.6
91.03945	24.6
91.05470	17.4
93.07037	55.6
95.04942	3.5
95.08594	51.9
97.02885	16.0
97.06522	3.3
97.10156	3.4
99.04433	1.9
99.08056	3.2
105.07020	16.6
107.08585	38.0
109.06538	1.4
109.10146	33.3
111.08087	3.9
113.09623	1.2
117.07019	8.8
119.08576	17.7
121.10136	35.3
123.08044	1.2
123.11698	18.3
127.03899	10.5
131.08551	19.8
133.10120	15.2
135.11676	28.3
137.09552	2.1
137.13251	6.4
139.11159	1.5
144.54381	0.9
145.04955	12.4
145.10115	15.9
147.11655	11.8
149.13232	18.9
151.14810	2.0
153.12762	1.7
159.11688	13.7
161.13248	11.8
163.06001	19.6
163.14793	14.5
165.12724	3.5
173.13232	16.4
175.14839	3.1
177.16418	5.3
179.14273	2.9
187.14798	9.8
189.16266	1.8
191.14297	2.1
201.16373	2.8
205.15863	2.6
219.17406	1.1
233.22667	3.4
243.21053	31.9
261.22107	100.0
262.22443	3.8
263.23691	2.3
279.23135	2.4
303.09927	1.4
335.25720	17.5
353.26825	51.9
354.27078	2.3
497.31061	1.5
529.56854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20361	1.9
58.31010	2.0
59.78517	1.8
90.32046	2.0
143.93140	2.1
177.34050	2.0
185.04175	22.8
203.03171	3.3
259.04175	2.8
297.45547	2.2
353.08359	50.3
365.08398	100.0
393.23923	2.2
404.10815	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55264	1.6
82.40660	1.5
94.26395	1.6
98.23499	4.4
137.03836	1.5
149.11037	1.5
165.73569	1.7
211.88925	1.7
318.08551	1.9
345.10895	1.8
381.13058	3.8
394.13831	3.9
412.14853	2.7
421.12500	2.5
439.13538	2.6
454.15964	6.2
498.14465	2.6
546.58337	2.0
558.43079	1.9
591.21460	3.4
609.22845	3.6
623.05225	1.7
651.24060	100.0
652.24127	7.9
695.23090	48.6
696.22821	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	695.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40934	1.0
59.65161	0.9
62.99922	1.0
70.67220	1.8
83.94629	1.1
157.35562	0.9
217.20622	1.0
318.08737	3.1
319.09625	1.3
337.10648	2.1
349.10474	1.7
363.04608	1.3
364.12784	2.0
374.23181	1.3
377.59741	1.1
379.11554	1.2
381.13254	2.6
394.13843	5.2
395.14572	1.7
412.14883	3.2
439.13901	2.7
454.15985	4.2
471.10199	1.1
498.15247	2.1
515.09833	1.5
591.22034	3.5
609.22498	5.0
648.00970	1.1
651.24054	100.0
652.24011	5.5
695.13190	4.3
695.23163	44.3
696.23615	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	695.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01278	0.1
52.11585	0.1
53.00326	0.1
55.01866	0.2
61.91515	0.1
65.03928	0.4
66.04713	0.2
67.05496	0.2
69.03391	0.1
69.16872	0.6
77.03918	0.2
79.05482	0.5
81.03424	0.2
81.07072	0.3
85.02894	0.2
85.78178	0.1
89.03887	0.2
91.05480	0.6
93.03393	0.2
94.04179	1.8
95.04934	0.2
107.04937	0.3
109.02889	0.1
109.06503	0.1
111.04410	0.2
113.06183	0.1
115.05452	1.1
117.03360	0.5
117.07037	0.9
119.04942	0.2
122.03637	5.2
125.05953	0.2
130.50755	0.1
131.04910	0.3
135.04402	0.5
137.05962	100.0
138.06302	1.7
139.03867	0.2
141.05444	0.2
143.04906	6.2
145.02856	0.9
145.06493	0.4
147.04417	0.7
149.06006	0.2
151.03896	13.0
151.04971	1.0
153.05424	0.1
156.61177	0.1
159.04530	0.1
163.03883	1.3
163.07585	0.2
167.07031	0.3
171.04390	0.2
173.06018	0.2
175.07521	1.7
177.05437	0.9
181.05022	0.2
184.07230	0.1
187.07451	0.1
190.47340	0.1
191.07089	0.2
203.07002	1.2
205.08553	2.2
207.10321	0.1
225.97096	0.1
283.91229	0.1
327.12231	7.1
328.12643	0.2
339.11459	0.1
355.15350	0.2
357.13275	52.8
358.13623	2.2
387.14435	0.3
429.26660	0.1
467.87924	0.1
470.29950	0.2
520.38977	0.1
677.34796	0.3
695.24213	0.2
695.36218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11848	0.5
50.86158	0.5
53.03941	3.2
55.01869	3.4
57.03424	2.2
59.75221	0.5
61.02921	2.8
64.81503	0.5
68.99780	2.0
69.03424	16.6
70.85998	0.9
71.01322	0.6
71.04985	2.3
73.02906	2.9
81.03413	14.0
83.01320	0.9
83.04966	1.0
85.02898	39.7
87.00821	9.2
87.04491	0.9
97.02885	13.9
99.04449	6.1
101.02346	1.0
103.03954	0.8
105.01858	11.5
109.02875	14.9
109.35301	0.5
111.04409	0.6
115.03934	0.7
117.01875	0.9
127.03909	28.7
129.01817	2.4
145.04939	9.1
147.02823	2.6
159.02892	6.6
165.06970	1.2
166.07814	1.0
169.09988	0.7
178.07683	1.0
179.08583	3.3
180.09171	0.6
181.04851	0.7
181.10051	1.6
189.04022	1.1
190.07851	0.5
191.08537	2.5
192.09396	2.9
193.10106	3.5
194.07387	0.6
195.08121	1.3
195.11652	0.9
196.04877	0.5
197.09564	0.9
204.09299	1.0
206.10858	4.9
207.08070	1.9
207.11632	1.2
208.08797	3.6
209.09631	3.1
209.13199	0.9
210.10378	1.1
211.07553	1.0
211.14832	1.3
213.03911	1.4
215.08612	0.7
216.09363	3.0
219.08038	3.4
220.08832	3.9
221.09750	3.6
221.13235	11.9
223.07614	0.8
224.08189	0.8
225.09074	2.1
226.09859	5.0
231.04944	6.5
231.11678	1.9
233.09560	1.2
234.10397	7.1
237.12798	1.2
238.09882	5.3
239.10616	6.1
239.14331	2.0
247.11186	2.8
249.05901	1.0
249.12717	23.4
251.10645	1.0
252.11443	3.9
256.10956	1.0
265.12177	6.5
266.12897	1.3
267.13757	44.7
268.14133	1.9
271.13214	0.8
279.13742	1.6
283.13275	2.2
284.14005	2.7
285.14816	100.0
286.15149	4.2
287.05490	1.9
291.13705	1.2
301.34641	0.6
309.14835	2.2
327.15826	1.0
347.11780	0.6
533.20142	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	695.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01865	3.5
55.05498	1.0
57.03431	3.1
59.04991	0.5
61.02923	3.8
63.76563	0.4
68.99788	3.3
69.03426	17.5
70.03748	0.5
71.01317	0.6
71.04977	1.8
73.02905	3.3
81.02962	0.9
81.03412	15.2
83.04958	1.0
83.08616	0.9
85.02898	40.5
87.00822	10.6
87.04482	0.6
91.03895	0.9
95.04979	0.7
97.02888	14.5
98.22607	1.0
99.04451	6.0
100.11241	3.0
101.02396	0.6
103.03895	1.1
105.01867	9.2
109.02869	17.0
111.04431	1.1
115.03895	0.6
117.01832	1.0
127.03904	25.0
129.01837	2.3
129.05475	0.5
145.04944	9.6
147.02888	2.7
151.03908	0.7
155.08562	0.5
157.10170	0.8
159.02872	6.9
165.06863	1.0
166.07820	0.5
167.08511	0.8
171.02914	0.7
177.03868	0.6
178.07698	0.9
179.08595	3.0
180.09239	0.9
181.10098	1.3
182.15453	1.0
189.03964	1.0
191.08521	2.6
192.09341	2.7
193.10115	2.5
195.08051	0.9
197.09520	0.5
198.14862	0.5
203.08510	0.8
206.10869	4.3
207.08069	1.6
207.11586	0.6
208.08815	4.7
209.09599	3.1
209.13260	0.5
209.16454	0.6
210.10342	0.9
210.14941	1.5
211.07582	1.3
211.14803	0.7
213.03925	0.9
215.08548	0.6
216.09325	2.3
219.07983	3.6
219.11639	1.2
220.08803	3.7
221.09782	3.6
221.13225	11.0
223.11295	0.7
225.09120	0.7
226.09843	3.9
231.04971	7.5
231.11652	1.6
233.06543	0.5
233.09633	1.0
234.10385	6.6
235.11375	0.5
237.09183	1.0
237.12720	1.3
238.09903	5.6
239.10675	5.2
239.14261	1.2
247.11157	2.9
249.05952	1.4
249.12723	26.4
250.13182	0.8
251.14250	0.6
252.11382	3.4
253.12263	0.8
265.12225	7.5
266.12982	0.9
267.13763	41.8
268.14130	1.4
271.13284	0.8
273.12729	0.6
279.13818	1.3
283.13342	2.8
284.14047	2.1
285.14816	100.0
286.15140	3.2
291.13800	1.2
309.14847	1.8
311.65552	0.5
321.14883	0.6
327.15707	1.7
369.86545	0.6
408.85226	0.7
411.17346	0.5
497.18182	0.7
515.19165	0.8
533.20227	3.8
585.45313	0.5
677.49048	0.9
695.50592	4.4
712.79510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82425	1.4
55.96769	1.5
57.03428	1.8
67.05521	1.6
73.02919	2.6
78.22053	1.3
79.05507	1.7
79.46268	1.7
80.99911	1.6
81.03388	2.1
81.07054	3.1
84.49117	1.2
86.09705	2.9
91.05453	2.9
93.07054	3.1
95.08546	2.5
97.52370	1.1
98.22609	2.8
136.48396	1.7
144.04189	2.4
175.05989	2.0
184.07323	4.7
214.04764	2.0
226.04692	4.5
277.13171	3.6
279.48206	1.8
308.14893	3.2
321.12033	9.0
322.12759	2.5
339.13181	11.2
349.11472	2.4
379.07718	2.1
379.12604	56.6
380.13379	100.0
381.13757	5.7
460.21198	1.5
464.68216	1.5
467.18835	3.3
469.20230	2.9
561.19678	1.5
612.65771	1.6
663.23584	5.0
672.88159	1.8
695.32996	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	695.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08227	0.8
56.96565	12.2
71.43205	0.7
84.96042	0.9
98.97581	6.8
101.93926	0.7
116.98596	3.8
134.99663	2.2
161.45393	0.8
178.79855	0.8
193.10158	1.7
221.09627	1.6
222.10336	1.4
223.11113	1.3
223.14674	0.8
224.08354	1.1
225.09108	0.9
233.09570	1.2
234.10281	1.0
235.11270	1.1
235.14746	1.3
237.02303	0.7
237.09007	1.2
238.09862	6.3
239.10652	11.1
248.11902	2.2
251.14406	1.1
252.11441	10.2
253.12245	1.5
260.03571	9.3
261.04327	2.1
263.14313	3.2
266.12982	7.8
269.04739	0.9
271.02972	1.2
273.04276	3.1
274.05151	2.4
278.04337	4.2
281.15341	50.1
282.15628	1.8
287.05865	1.2
295.06281	0.7
299.05927	2.2
300.06891	1.1
305.07932	0.8
307.09799	5.3
309.08093	1.1
310.05197	2.7
313.07352	2.1
313.11124	2.7
314.04739	1.1
314.08163	10.4
315.09143	3.5
315.12442	0.9
316.09796	3.8
317.06934	1.2
317.10376	1.1
319.09912	1.2
321.14542	1.6
323.09433	1.3
324.06708	1.2
325.07437	1.4
325.10989	11.6
327.08911	1.8
327.12466	1.2
328.06161	8.2
328.09698	1.3
329.10748	1.0
330.07620	2.2
331.08545	1.2
331.12170	5.2
332.09293	8.9
333.09839	1.7
334.10742	2.8
336.06635	1.1
337.11200	4.3
339.08908	6.6
340.09717	1.6
341.07037	1.2
341.10614	10.0
342.07620	1.9
342.11255	1.1
343.12134	72.2
344.12494	3.1
345.13721	1.6
346.10934	1.3
348.12830	1.4
349.09589	1.2
351.08975	1.2
353.10590	0.9
354.07452	4.7
355.12152	21.5
356.09091	1.3
356.12930	1.2
357.10010	18.2
357.14359	0.9
358.10724	2.9
359.11578	5.3
360.12482	1.1
361.13199	47.4
362.13678	1.6
366.13724	3.7
367.12238	2.3
368.09232	0.8
369.10138	5.6
373.13217	20.2
374.13712	1.1
375.11179	9.2
378.13748	1.2
380.11694	1.2
384.14810	1.5
385.13226	3.2
387.11136	7.8
391.14044	3.4
393.12250	1.0
396.14963	1.4
397.13190	100.0
398.13568	4.4
405.12146	2.6
415.14236	90.6
416.14413	3.5
433.15353	1.1
438.15817	13.3
439.16055	1.1
475.06723	0.9
486.18900	1.0
518.08789	0.9
575.24591	3.9
587.24866	1.7
593.25830	9.0
605.25647	21.4
606.25751	1.8
611.26379	1.2
617.25519	5.9
623.26721	20.9
624.26874	1.9
635.26794	11.8
636.27173	1.0
637.24628	1.2
646.28070	3.1
653.27759	6.6
676.28925	1.1
695.28186	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	695.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08698	0.9
66.18576	0.8
67.05473	1.0
79.05486	1.3
81.07061	1.5
83.96789	0.8
91.05475	1.1
93.07076	1.7
109.34863	0.9
119.08598	1.2
122.76070	0.9
123.87015	0.9
133.10077	1.0
137.30304	1.1
144.66154	1.0
150.57657	1.0
159.58144	0.9
171.61598	0.9
174.49249	1.1
175.47668	0.9
270.17807	1.0
273.57901	0.9
285.85477	0.9
469.18039	1.3
695.30237	100.0
696.30444	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	695.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57505	0.3
53.03947	0.6
55.01857	0.5
55.05491	0.7
57.03419	1.6
61.02923	3.1
67.05495	1.8
69.03419	2.4
69.07061	0.8
69.39019	1.5
71.01330	0.3
71.04985	0.5
73.02914	2.6
75.35248	0.3
79.05476	2.5
81.03410	3.2
81.07049	2.3
83.04988	0.7
83.08620	1.0
85.02895	5.4
91.03962	2.0
91.05473	2.5
93.07027	2.6
95.04984	1.3
95.08586	2.1
97.02878	3.3
97.06517	0.4
99.04456	1.1
101.02363	1.6
101.03387	0.3
105.06999	1.6
107.04964	0.5
107.08564	1.6
109.02868	0.6
109.06520	0.8
111.08109	0.4
117.06999	0.4
119.08596	1.3
121.06593	0.4
121.10153	0.7
127.03936	1.0
129.07005	0.6
131.08591	0.7
133.10143	0.9
135.11688	1.9
145.10146	1.5
147.11702	1.2
149.09573	0.5
157.10097	0.6
163.11166	2.6
175.11209	0.8
181.12314	0.4
185.04294	0.4
193.12326	0.9
211.13318	0.4
219.09912	0.3
219.32451	0.4
227.12755	2.2
243.08348	1.8
249.10999	6.1
251.12590	0.8
260.56113	0.4
305.13599	1.1
373.40076	0.4
439.84821	0.3
455.93546	0.3
467.18802	7.7
469.20343	8.4
469.26401	0.5
533.27063	0.8
656.65198	0.4
695.32318	100.0
696.32697	7.3
696.44092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01861	0.4
55.05502	1.1
57.03432	1.6
57.42881	0.3
61.02927	4.1
61.27433	0.4
67.05507	1.7
69.03429	2.3
69.07066	0.4
70.67726	0.6
71.04990	0.6
72.04072	0.3
73.02901	2.6
74.73833	0.4
79.05488	1.8
81.03400	4.4
81.07050	2.1
83.04986	1.0
83.08620	1.1
85.02887	4.2
91.03939	2.2
91.05469	2.0
92.50600	0.4
93.07037	2.1
95.04977	1.2
95.08619	0.8
97.02894	4.1
97.06583	0.4
99.04440	0.6
101.02366	1.7
105.07029	0.9
107.04977	0.5
107.08622	0.9
107.56405	0.3
109.02908	0.5
109.06512	0.6
109.74788	0.5
111.04449	0.5
111.08073	0.6
118.66675	0.3
119.08601	1.6
121.10158	1.0
123.08036	0.5
127.03918	1.4
129.07054	0.4
131.08575	0.8
133.10136	0.8
135.11720	0.7
145.10164	0.7
147.11696	1.1
149.57060	0.3
153.12766	0.4
157.10158	0.9
163.11209	1.3
175.11218	0.5
182.91998	0.4
193.12292	1.2
207.52748	0.3
211.13324	0.8
243.08443	1.6
249.11270	0.6
251.12605	0.6
309.11691	0.4
407.59128	0.4
467.18759	4.8
469.20444	7.4
479.60272	0.5
695.32379	100.0
696.32611	6.8
696.43866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.5
57.19959	0.4
67.05479	0.6
67.74464	0.4
69.03440	0.5
69.07061	1.4
71.18917	0.6
81.07030	0.7
83.04973	1.3
83.08662	0.7
83.47935	0.5
86.09696	100.0
87.10023	1.1
91.05476	7.3
97.10142	3.0
103.05457	2.8
103.33176	0.5
105.03372	1.3
107.04916	1.0
117.05757	0.8
118.06527	23.8
119.04922	1.3
119.07319	4.1
120.08099	12.2
120.08973	0.7
125.09619	2.8
130.06497	0.8
131.04913	0.5
132.08180	0.6
136.07550	6.0
141.10130	0.8
142.12224	0.8
143.10678	0.5
146.05991	63.4
147.06355	1.3
161.08493	0.5
162.05516	1.4
165.05446	1.0
167.08603	0.7
174.12749	1.7
182.08083	2.2
186.12781	1.8
188.14326	3.9
203.15385	1.0
210.18495	5.2
214.12250	1.9
223.07487	2.0
228.19568	7.4
231.14908	11.5
233.16431	0.7
236.10692	3.2
238.18045	4.4
242.11684	1.1
247.14369	1.2
256.16574	0.7
256.19080	10.3
257.19092	0.5
259.14392	49.1
260.14679	1.7
265.08548	2.7
270.11041	1.2
275.13846	6.2
282.11264	3.7
295.16489	4.3
299.13855	2.0
321.14456	4.8
327.12997	0.5
357.25403	0.6
373.25049	0.8
383.18985	0.9
383.23599	2.7
395.19513	2.0
400.63977	0.5
401.24185	2.7
407.36179	0.5
412.22098	0.9
422.20480	0.7
440.21765	18.9
441.21939	1.1
449.77625	0.4
458.22263	0.7
468.20667	0.7
468.31827	0.6
486.33011	1.4
514.32654	0.8
519.84973	0.5
553.30042	0.5
677.38281	1.0
695.39331	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03729	0.6
54.99314	0.8
55.05508	2.1
63.49457	0.5
69.03414	0.9
69.07077	1.0
69.23540	2.3
69.23948	0.9
74.15493	0.5
79.05485	0.8
83.04960	0.9
83.08636	0.7
86.09699	100.0
87.10021	1.5
91.05467	10.0
94.91835	0.5
96.17165	0.6
97.10179	1.9
103.05450	2.7
105.03391	2.1
117.05743	0.8
118.06535	31.0
119.04934	1.5
119.07324	4.8
120.08093	13.6
125.09615	1.4
130.06525	1.0
136.07581	6.2
142.12288	0.9
146.05997	70.8
147.06334	1.1
162.05473	2.0
164.07115	1.0
165.05530	1.1
167.08543	0.8
174.12791	1.2
182.08139	2.3
186.12776	2.6
188.14326	3.2
195.08125	1.1
197.09695	0.6
203.15392	1.8
210.18530	7.8
214.12186	2.0
219.07968	0.9
223.07500	2.3
228.19608	5.2
231.14891	8.8
231.17027	0.9
232.13289	1.0
236.10570	4.0
238.18013	4.1
242.11581	0.8
247.14420	1.2
253.84386	0.6
256.19086	9.9
259.14407	49.6
260.14682	1.3
265.08490	3.1
270.11142	1.9
275.13861	6.4
282.11197	3.1
295.16470	5.5
295.21484	0.8
299.13864	2.7
310.77979	0.6
321.14404	5.1
373.24838	1.9
383.19110	1.1
383.23254	1.6
395.19717	1.9
401.24350	3.0
412.22443	2.0
440.21777	20.7
441.22153	1.3
486.33267	2.3
514.32581	1.5
558.07269	0.7
694.80872	0.6
695.40210	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.3
57.03415	3.4
57.07074	10.0
57.07308	1.8
61.02923	28.2
67.05499	60.5
69.03437	3.0
69.06761	2.3
69.07066	22.9
71.08611	6.0
73.02892	7.6
79.05489	13.2
81.07050	74.6
83.08614	17.0
85.02895	29.6
85.06509	2.2
85.10153	3.6
91.03942	27.1
91.05492	11.4
91.05971	2.0
93.07030	24.6
94.88715	1.9
95.04967	3.0
95.08598	63.2
97.02897	14.4
97.06512	6.1
97.10141	14.6
98.23441	5.0
99.04398	2.4
99.08070	3.0
105.07001	10.6
107.08609	15.2
109.10143	31.5
111.08075	4.4
111.11701	4.8
113.09585	1.9
115.61192	2.2
119.08594	10.1
121.10124	22.4
123.11709	15.6
125.09595	2.1
127.03893	8.5
133.10101	16.3
135.11694	12.8
137.13223	7.5
141.12712	5.1
145.03940	1.8
145.04935	11.5
147.11674	9.7
149.13226	10.5
151.11197	2.7
151.14792	7.5
161.13243	13.7
163.06003	19.9
163.14786	9.5
165.16386	10.5
167.14368	2.1
169.15686	2.1
175.14784	6.8
177.43311	1.9
179.17873	5.8
180.89384	1.8
189.16344	5.3
217.19385	3.1
235.53047	2.0
245.22615	69.0
246.09604	2.1
246.22998	3.7
263.23685	100.0
264.24289	4.7
281.24847	3.3
337.27350	46.1
338.27432	2.0
355.28244	5.2
356.96185	2.1
387.82428	2.0
454.80502	2.3
509.16837	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05252	1.8
55.05506	20.8
57.03432	7.7
57.07079	9.2
61.02922	30.1
65.03930	2.0
67.05500	82.7
69.03419	3.4
69.06704	2.2
69.07063	29.7
71.04988	2.9
71.08635	6.9
73.02903	8.6
79.05486	23.7
81.03433	2.0
81.07052	90.5
81.47337	1.0
83.04964	2.5
83.08614	23.6
85.02898	30.9
85.06531	2.8
85.10179	3.6
91.03949	25.8
91.05470	17.9
93.07033	26.8
95.04980	3.0
95.08598	82.3
96.08943	1.1
97.02882	15.3
97.06515	5.7
97.10160	13.5
99.04440	2.1
99.08092	3.5
105.07037	9.4
107.08581	19.4
109.10149	38.2
111.08089	3.6
111.11697	5.1
113.09676	1.7
115.03922	1.1
119.08588	11.6
121.10141	22.3
123.11696	20.5
125.09638	2.1
125.13258	1.4
127.03920	8.0
127.11162	1.5
129.84438	1.0
133.10124	14.8
135.11679	14.7
137.09669	1.2
137.13246	8.1
139.11140	2.0
141.12747	3.3
145.04958	11.7
147.11681	12.0
149.13261	11.4
151.11249	1.3
151.14828	8.0
153.12761	1.6
155.14267	4.6
161.13258	13.8
163.06003	20.6
163.14804	10.4
165.12729	1.3
165.16353	9.4
167.14268	1.5
175.14824	10.3
176.84012	1.1
177.16386	2.1
179.17896	8.0
189.16371	4.5
193.15836	1.9
203.17963	1.3
217.19505	2.4
219.21028	1.2
245.22632	61.2
246.22960	1.7
263.23682	100.0
264.23911	2.5
265.25189	1.9
281.24719	2.9
337.27341	63.6
338.27768	3.5
355.28357	14.6
374.73148	1.1
499.32465	3.9
666.60822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.7
57.07076	2.2
62.44236	1.5
67.05489	3.1
68.87475	1.6
69.07058	6.5
69.15591	12.7
73.44495	1.7
79.05490	5.8
81.07054	7.9
83.04458	3.0
83.04973	54.9
83.08601	2.5
84.62843	1.7
84.69336	1.7
85.06531	3.6
91.05450	11.1
93.07047	10.7
95.04956	2.9
95.08598	8.5
105.07013	25.3
107.08576	12.6
109.10151	5.2
116.35016	1.7
117.07005	18.6
119.08565	16.7
121.10119	7.1
129.06995	4.2
130.07768	3.8
131.08557	21.1
133.10103	6.4
143.08603	2.9
144.09349	2.4
145.10109	75.4
155.69272	2.3
158.10912	1.9
159.11678	34.2
161.13245	13.8
173.13280	6.4
183.10167	15.9
201.16359	100.0
202.16769	2.8
219.17508	9.3
223.64648	1.9
372.83356	2.2
408.85059	2.5
500.32062	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1602
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
50.51266	0.1
60.96790	0.1
68.99790	0.2
69.75009	0.3
75.96700	0.1
81.03410	0.2
84.16674	0.1
115.05355	0.2
121.02821	0.2
137.02338	1.3
143.05008	0.1
147.04456	0.1
149.02333	0.2
157.06439	0.2
161.05920	0.2
163.03885	0.3
165.01740	0.2
175.03902	0.2
183.37968	0.1
185.05933	0.4
189.05460	0.2
189.60767	0.1
199.03839	0.1
213.05435	1.4
216.04138	0.1
231.06483	0.5
241.04959	0.6
269.04465	0.4
287.05463	100.0
288.05768	3.4
323.16592	0.1
449.04745	0.2
449.10779	2.9
491.11658	0.6
535.10767	14.2
536.11481	0.7
536.18158	0.1
697.15863	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29491	0.8
51.11367	0.8
55.05508	1.3
56.96152	0.7
57.03427	1.5
59.35176	1.0
61.02914	3.0
67.05492	3.5
69.03416	1.7
69.07061	1.4
71.01349	1.3
71.43443	1.0
73.02901	3.2
79.05494	2.4
81.03429	2.5
81.07043	3.1
82.59296	1.0
83.08618	1.9
85.02891	3.6
88.59304	0.9
91.03965	2.0
91.05490	3.0
93.07029	2.4
95.04969	1.5
95.08575	2.4
97.02879	2.1
101.02345	1.7
105.07015	2.5
109.10104	1.0
119.08583	1.3
127.03865	1.6
131.08614	1.0
163.03987	1.0
164.17683	0.9
177.05458	1.7
188.06799	2.6
193.12366	1.2
193.99117	1.1
200.06709	1.5
216.06326	1.0
218.07852	11.8
243.08417	2.2
251.12100	0.9
293.12909	1.3
301.09036	1.7
309.12466	1.3
317.08902	5.4
318.09885	1.5
319.10516	1.2
330.09488	1.1
331.10498	4.7
333.12158	1.5
337.11539	1.1
339.13336	6.3
341.14542	1.6
345.11963	3.2
349.11496	1.5
361.07687	1.2
361.11655	2.6
367.12741	2.8
374.08401	1.1
375.09390	2.4
376.10251	1.9
377.10770	1.8
379.12576	1.6
389.10962	4.7
427.18787	1.5
438.18494	1.3
440.19601	1.5
453.20972	2.9
455.17917	5.0
466.17691	2.3
468.14645	1.1
469.20593	5.9
470.20578	3.0
472.18466	1.2
475.20517	1.1
483.17395	3.5
484.18320	10.6
487.16907	2.6
498.20035	14.3
499.17316	3.3
500.17679	3.8
502.19681	6.5
514.19550	9.1
527.16138	1.6
528.17383	14.7
542.18951	100.0
543.19543	23.3
544.20172	3.7
560.19513	2.9
574.21515	53.1
575.22400	14.3
576.22516	1.9
621.26563	3.0
633.22809	2.1
665.25781	70.8
666.26086	7.2
679.33020	2.2
697.34406	95.4
698.34540	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	697.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
55.05503	0.3
57.03421	0.2
59.39252	0.2
59.99401	0.2
67.05490	0.3
68.99802	0.2
69.03427	1.0
69.07072	0.7
69.98277	0.6
73.02923	0.3
79.05479	0.2
81.03400	1.0
81.07053	1.5
85.02901	2.5
87.00817	1.4
93.07026	0.6
95.08588	1.0
97.02892	1.2
99.04427	0.2
105.01854	0.9
105.07012	0.3
107.08629	0.4
109.02866	0.7
109.10146	0.5
114.20815	0.2
119.08620	0.4
121.06467	0.3
121.10130	0.3
123.11689	0.5
127.03896	1.2
135.08041	0.4
135.11710	0.2
136.08820	0.6
137.05962	3.4
145.04892	0.4
149.09602	0.2
151.07521	1.4
153.05299	0.2
158.46201	0.2
159.02902	0.4
163.03889	0.4
163.07559	1.2
164.08337	1.3
165.09076	0.7
171.08208	0.2
175.07509	0.4
176.08307	0.3
177.09090	1.8
187.07515	0.9
189.09108	0.3
191.10626	0.4
203.10638	2.3
215.10709	0.2
216.11394	0.2
217.12114	0.3
231.04799	0.2
272.17651	1.3
287.20010	100.0
288.20358	3.3
361.95898	0.2
400.64026	0.2
635.09613	0.2
637.19568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.05506	1.2
57.03430	1.7
61.02928	4.1
62.24065	0.5
67.05497	2.2
69.03427	2.6
69.07064	0.6
71.04981	1.0
71.42121	0.5
71.42549	0.6
73.02910	2.9
79.05501	1.9
80.29948	0.5
81.03418	4.5
81.07056	2.8
83.04964	0.9
83.08632	1.6
85.02894	5.2
91.03953	2.5
91.05463	2.7
93.07050	1.4
95.04938	2.6
95.08612	0.9
97.02892	4.0
97.06513	0.6
99.30873	0.5
101.02380	1.3
105.07050	2.5
107.04919	0.7
107.08595	0.7
108.92537	0.4
109.41660	0.4
111.08109	0.9
119.08598	1.8
121.10172	1.0
127.03934	1.4
129.07028	1.1
131.08566	1.1
131.19421	0.4
133.10130	1.6
145.04926	0.5
147.11699	1.1
157.10121	0.8
161.61664	0.5
163.03957	1.4
175.11226	0.5
185.04323	0.7
193.12260	2.5
211.13353	1.9
239.09453	0.4
243.08406	2.0
251.12488	4.3
278.80698	0.4
307.15179	0.8
469.20425	13.0
470.20621	0.7
535.28558	0.6
555.77692	0.5
621.21039	1.2
665.19067	3.2
666.20453	0.8
697.33929	100.0
698.23248	1.0
698.34296	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	697.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09921	0.2
53.03928	0.5
55.01859	0.4
55.05503	0.9
57.03434	1.9
61.02921	4.1
64.90214	0.2
67.05499	2.4
69.03418	2.8
69.07053	0.6
71.01337	0.3
71.04986	0.6
73.02909	3.1
79.05481	2.1
81.03410	4.9
81.07049	2.5
83.04991	1.0
83.08614	1.3
85.02894	6.1
85.06478	0.2
87.04450	0.3
91.03944	2.4
91.05466	3.5
93.07043	1.6
94.49197	0.2
95.04951	2.3
95.08612	1.0
97.02882	4.0
97.06505	0.4
97.10148	0.3
99.04452	0.8
101.02376	1.7
102.65401	0.2
103.03974	0.4
105.07024	2.4
107.04948	0.7
107.08594	0.6
109.02885	0.6
109.06516	0.6
109.10168	0.3
111.04440	0.3
111.08070	0.5
113.06017	0.3
115.03870	0.4
119.08575	1.5
121.10140	0.7
123.08091	0.3
123.11701	0.2
127.03886	1.0
129.07005	0.9
131.08543	1.1
133.06476	0.3
133.10127	1.0
135.04367	0.2
137.05936	0.2
145.04945	0.3
145.10101	0.2
147.08090	0.2
147.11665	1.4
148.07549	0.4
149.09619	0.7
151.07549	0.4
157.10094	1.2
162.41913	0.2
163.03885	0.5
175.11186	1.2
185.04259	0.6
190.04970	0.2
193.12221	2.2
203.05254	0.3
211.13283	0.9
227.11836	0.2
243.08406	2.0
251.12543	1.4
255.11060	0.2
269.12692	0.3
285.17017	0.5
307.15137	0.8
365.11496	0.3
398.15253	0.2
416.15491	0.3
446.17203	0.2
451.47357	0.2
458.17377	0.3
469.20404	11.7
470.20874	0.7
524.17755	0.2
534.33984	0.5
535.28461	0.2
542.19391	0.3
574.21271	0.4
611.24902	0.3
665.26697	0.4
691.65875	0.2
697.33850	100.0
698.34210	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	697.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65969	1.8
52.76981	1.6
55.05513	2.1
57.03435	3.6
58.53853	1.8
58.67572	2.0
61.02923	10.8
67.05497	15.1
69.03429	4.9
69.07065	2.0
69.17647	10.9
71.04997	2.9
73.02935	6.0
74.57533	2.0
79.05514	2.9
81.07079	8.6
82.43569	1.7
83.08614	3.3
85.02899	10.8
91.03976	7.6
91.05501	4.3
93.07050	7.0
95.08644	2.8
97.02921	6.9
97.06596	2.2
99.04558	2.1
101.02388	3.4
107.08625	2.2
109.10128	9.1
121.17123	2.3
128.51866	1.7
133.10141	3.0
138.14444	1.9
149.13339	2.6
173.11778	2.3
185.04337	2.1
185.58769	2.2
243.08617	5.7
289.48740	2.0
301.09036	4.1
315.10800	3.0
371.16830	3.8
413.17831	15.7
438.35934	2.1
453.20953	13.8
483.22241	2.3
484.23285	2.8
485.19980	5.0
497.23184	2.6
541.26337	4.0
567.31409	28.3
568.32184	3.4
568.72101	2.0
596.31525	11.3
625.31860	89.7
626.31781	9.3
651.33887	7.4
697.37170	100.0
698.37134	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	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08504	0.8
55.01795	0.7
55.05434	1.4
57.03341	1.8
57.03592	0.8
61.02808	6.5
61.03155	2.2
67.05383	9.2
67.05777	1.9
69.03308	3.5
69.06969	0.8
71.04908	0.9
72.29303	0.7
73.02792	3.6
79.05376	2.3
81.03298	2.8
81.04527	0.7
81.06930	3.0
83.08514	1.5
85.02764	6.0
86.28891	0.7
91.03812	4.1
91.05402	1.5
93.06895	2.5
95.08512	1.5
97.02746	4.8
99.04359	1.4
101.02223	2.7
105.98785	0.8
107.08491	1.4
107.42577	0.8
109.02760	1.2
109.06393	0.8
109.09998	9.5
115.03837	1.0
119.08410	1.2
127.03751	2.5
129.05331	1.2
133.09955	1.5
138.34955	0.8
155.10509	1.4
173.11690	3.8
181.04482	0.9
185.03987	2.9
195.09822	1.2
201.03555	1.4
203.05060	1.2
209.25230	0.8
221.11346	2.0
229.14178	1.9
235.12854	1.6
239.35184	1.0
243.08347	4.3
301.08853	5.8
315.01981	0.7
315.10315	2.9
329.11844	0.8
360.09695	0.6
369.14886	0.9
371.16830	4.3
373.10831	2.6
385.18042	2.2
413.17810	20.3
414.18137	1.2
425.21594	4.0
429.17456	1.7
441.21436	0.9
443.18887	1.5
453.21002	6.1
463.26373	1.9
469.20248	1.5
483.22229	1.6
484.22653	3.0
485.19574	6.8
497.23492	1.4
499.21164	2.8
541.26422	3.5
553.29340	1.5
567.31390	20.7
568.31879	3.1
596.31549	13.8
597.32300	2.1
623.33801	1.0
625.31866	100.0
626.32196	7.3
628.30609	1.8
651.33380	7.6
653.35004	1.1
669.34314	1.6
697.34045	41.2
698.34229	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	697.3757
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03950	0.4
55.05505	1.0
57.03436	1.7
61.02924	4.4
64.25744	0.3
66.51077	0.3
67.05496	6.0
69.03424	2.7
69.07073	1.4
71.01353	0.4
71.04979	3.1
71.19017	0.4
71.85084	0.3
73.02916	2.4
79.05491	2.5
81.03422	1.4
81.07043	6.5
81.07489	0.4
83.05009	0.8
83.08614	1.3
85.02901	3.9
85.06557	0.7
91.03947	2.8
91.05469	2.3
93.07039	4.4
93.75458	0.3
95.04980	0.4
95.08588	1.6
95.57889	0.3
96.27259	0.3
97.02882	3.7
97.06547	1.2
99.04449	0.8
101.02393	1.5
105.07039	1.1
107.08586	2.3
109.02882	0.9
109.06509	0.3
109.10170	1.0
111.08100	0.7
117.07001	0.9
121.10156	1.3
123.11758	0.6
127.03880	1.6
129.08965	0.3
131.08589	1.0
133.10126	1.9
135.11662	0.7
149.13242	2.3
151.11249	0.8
159.11708	1.5
181.15952	0.3
183.13785	0.6
185.04259	1.0
187.13315	0.5
195.13739	0.7
201.03871	0.4
201.05661	0.3
203.05396	0.6
208.60577	0.3
210.89281	0.3
235.13069	1.0
243.08310	2.1
267.15640	1.5
269.17575	0.7
276.01147	0.4
291.15683	0.4
301.19983	0.4
323.18237	0.6
371.16476	0.4
385.18448	0.4
413.17758	1.8
423.18542	0.3
425.21701	0.5
453.20917	8.4
454.21741	0.4
459.85852	0.4
485.23752	5.4
528.03888	0.4
535.32794	0.6
567.31329	1.4
596.31525	1.5
625.31824	7.4
625.41583	0.5
651.33490	0.7
697.37598	100.0
698.37976	6.2
716.43591	0.3
719.73853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.05504	14.2
57.07074	0.9
57.36850	0.3
58.21799	0.3
61.02937	0.4
62.45399	0.4
69.03400	0.6
69.07057	0.7
70.06590	1.1
70.11716	0.5
70.12021	0.5
81.03400	0.5
81.07044	0.5
82.06577	2.5
83.04967	1.1
83.08610	9.5
84.08131	1.0
85.02896	1.2
89.06018	0.9
98.09676	2.1
100.07042	0.5
100.07616	5.0
100.11247	65.9
101.11561	0.7
109.02831	0.4
110.06046	1.6
111.04429	8.6
112.07581	2.9
117.13882	1.3
125.80387	0.4
126.09169	1.9
127.03914	1.0
127.08686	0.8
128.04234	0.4
128.07071	6.7
129.05475	0.5
133.08629	0.5
139.08656	3.1
140.07033	3.4
147.11687	0.6
164.14371	1.0
181.03477	0.4
182.15390	24.9
183.15796	0.5
192.13860	0.7
196.72934	0.4
209.16486	15.3
210.14876	31.3
211.15207	1.0
226.19162	3.1
227.17567	2.8
228.15979	3.4
243.59242	0.4
245.18549	1.1
249.12756	1.1
250.13075	0.4
251.13504	0.5
267.13846	1.3
268.14243	0.6
269.14441	0.9
285.14880	3.0
286.15033	2.2
287.15561	1.2
309.25385	0.5
326.28088	2.5
336.22861	1.7
337.21295	1.1
343.30621	3.1
415.92288	0.5
435.33371	0.9
453.34363	3.0
471.35495	1.8
646.02673	0.4
679.50830	1.4
697.52124	100.0
698.52405	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	697.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05505	13.6
57.07070	0.5
58.92717	0.3
62.93565	0.3
67.05495	0.8
69.07065	0.9
70.06594	1.9
72.77391	0.3
80.48466	0.3
81.07042	1.0
82.06568	2.3
82.30659	0.2
83.04964	1.8
83.08613	11.4
84.08129	1.0
84.36535	0.2
85.06540	0.9
86.41075	0.3
95.04951	0.3
98.09688	1.7
98.22525	0.4
100.07612	5.2
100.11246	68.7
101.06009	0.3
101.11562	1.3
106.06527	0.3
107.08550	0.4
110.06020	1.7
111.04432	8.1
112.07594	2.5
112.11252	0.7
113.44468	0.3
117.13884	1.0
121.42264	0.3
126.09127	1.8
127.08675	1.3
128.07063	7.3
131.67633	0.3
135.04443	0.5
139.08641	2.3
140.07048	3.0
145.02866	0.9
147.11667	0.8
158.08244	0.3
163.03870	1.6
164.14406	0.8
166.15919	1.1
168.13872	0.7
169.25810	0.3
175.11201	0.4
177.05487	1.3
182.15388	26.4
183.15749	0.7
183.65576	0.3
192.13831	1.6
197.19902	0.3
209.14693	0.3
209.16472	16.3
210.14874	32.6
211.15225	1.0
226.19115	3.0
227.17520	2.7
228.15892	3.1
236.61485	0.3
245.18689	1.1
308.26862	0.5
325.29883	0.4
326.27982	2.6
336.22748	1.9
337.21002	1.5
343.30634	3.3
377.35129	0.3
435.33447	0.6
453.34290	2.2
471.35355	1.2
593.96918	0.3
648.69775	0.3
679.50458	1.4
697.52112	100.0
698.52454	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	698.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.9
51.02369	2.0
53.03945	4.0
57.03432	0.6
58.06581	1.3
65.03936	0.4
66.55029	0.4
67.30890	0.4
69.03419	4.0
70.46026	0.7
71.04984	0.5
77.03908	2.5
79.05473	1.8
81.02958	0.7
81.03407	9.5
85.02901	3.9
91.05464	5.1
93.07031	7.3
95.04959	14.5
97.02885	5.2
98.22768	0.5
99.04452	1.7
103.05469	5.1
105.03384	100.0
105.04401	6.7
106.03706	1.0
109.02872	6.1
111.04408	0.6
121.06495	65.6
122.06813	1.1
123.04419	4.8
127.03898	5.5
135.04407	0.9
137.05957	1.0
139.03886	1.9
145.04961	1.7
163.03937	0.6
166.12262	21.8
167.12698	0.5
181.04945	1.2
225.04265	0.5
231.06581	1.0
249.07544	12.0
267.08640	6.5
432.20215	8.2
433.20258	0.6
455.07632	0.9
483.06903	0.8
681.12201	0.5
698.28003	40.0
699.28247	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	698.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05285	0.5
55.05507	3.9
57.03423	1.7
60.08137	0.4
61.02917	1.2
65.03938	0.5
67.05499	2.0
69.03418	2.5
71.01350	0.4
71.04994	0.7
81.03398	0.6
83.04974	35.6
85.02897	100.0
86.03263	0.7
87.04466	1.3
91.05447	2.2
95.04955	0.8
97.02866	1.9
105.07015	0.5
109.02866	0.7
111.04431	20.6
119.04915	1.9
127.03910	7.9
129.05463	11.9
145.04915	0.9
147.66011	0.4
151.07530	11.7
163.03836	0.6
169.08629	1.7
171.06508	77.2
172.06874	1.2
177.05513	0.6
189.07559	58.3
190.07793	0.9
229.07059	0.6
287.05475	6.6
288.05807	5.7
333.11728	13.6
339.14249	2.1
450.10919	1.0
501.19766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.1
57.03426	1.6
61.02933	2.4
65.03916	0.4
69.03418	1.4
70.03573	0.8
70.06582	0.9
71.04990	23.2
75.04469	2.1
81.03404	0.8
83.04977	16.9
85.02898	12.9
85.19590	0.3
87.04459	3.2
91.05463	3.8
95.04954	0.6
95.29418	0.4
97.02882	1.7
99.04475	1.0
101.06024	0.7
101.69302	0.3
109.02856	0.4
111.04436	28.0
112.04764	0.4
113.02375	0.4
113.05997	11.7
115.03921	2.0
117.03355	0.7
117.05478	5.3
119.04930	3.3
125.06080	0.5
127.03875	1.2
129.05469	38.4
130.05785	0.4
137.05971	0.5
145.02809	0.9
145.04929	0.9
151.07530	19.9
153.05478	0.7
163.03891	0.7
163.07535	1.3
169.08621	3.8
171.06516	18.1
177.05408	2.3
179.06999	0.8
181.05045	0.4
181.08566	0.8
189.07564	100.0
190.07961	1.8
203.06960	0.5
217.08572	0.6
218.16847	0.4
222.00668	0.4
235.09589	0.7
255.08669	0.6
259.09592	0.5
261.11124	1.9
273.09720	1.0
277.10687	1.2
279.12250	1.5
286.58615	0.4
287.05411	0.5
288.05899	0.5
295.11865	0.7
333.11807	1.9
339.10617	0.4
339.14471	1.2
487.19119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
57.02527	0.5
57.07069	0.8
67.05502	3.0
69.03416	1.4
69.07059	2.3
79.05488	2.6
81.07050	7.7
83.04978	2.2
83.08620	1.1
85.02890	1.7
89.03929	0.7
91.05450	4.7
91.05880	0.5
93.07040	7.4
95.04969	0.9
95.08592	9.3
97.06535	0.8
105.07023	10.9
107.08582	11.2
109.02890	0.8
109.06496	1.3
109.10138	4.8
111.08070	1.1
117.03372	0.7
117.06998	1.8
119.08566	13.5
121.06522	2.7
121.10143	7.1
123.08074	1.7
123.11707	1.8
125.09644	0.6
128.06236	0.7
129.06973	1.3
131.08565	7.7
133.06474	1.2
133.10117	9.0
134.03607	0.7
135.04366	1.8
135.08052	5.5
135.11691	2.4
137.05960	0.5
137.09596	0.7
137.13225	0.7
142.07738	1.0
143.08557	3.9
144.09338	0.9
145.02855	2.0
145.06410	0.6
145.10112	13.1
147.08038	17.9
147.11649	6.6
149.09613	1.3
149.13295	1.9
155.08577	1.2
156.09322	1.5
157.10130	5.1
158.10934	1.2
159.08055	7.4
159.11668	7.5
160.08850	0.8
161.09613	10.6
161.13249	4.4
163.03891	8.2
163.11168	1.1
163.14828	1.8
164.04282	0.6
165.05478	0.8
169.09998	0.6
170.10904	1.1
171.08023	1.5
171.11647	4.9
172.08855	2.2
173.09593	6.3
173.13237	10.0
175.11159	3.6
175.14803	5.6
177.05487	3.1
177.12767	0.7
177.16379	2.3
178.05847	0.6
183.11662	2.5
185.09598	1.5
185.13222	3.9
186.10332	5.7
187.11136	5.9
187.14806	5.7
188.12000	0.8
189.12766	3.3
189.16373	2.1
191.14291	4.3
197.09666	1.4
197.13243	1.1
198.10410	0.9
199.11162	59.4
199.14699	2.8
200.11591	2.0
201.12724	38.0
201.16402	2.7
202.13077	1.0
203.14297	35.3
203.17886	1.2
204.14650	1.3
205.15846	7.0
209.15382	2.3
211.11288	0.6
211.14864	1.4
213.12691	5.0
213.16336	3.0
214.66306	0.6
215.14302	14.3
215.17755	3.7
217.15845	7.3
217.17784	0.8
218.16191	0.7
219.13754	0.7
219.17438	0.8
227.14270	1.1
229.15866	2.3
231.17407	2.5
233.19051	2.1
237.41443	0.5
239.14264	0.7
239.16379	1.2
241.15854	1.5
243.17506	0.7
247.16998	0.9
287.05435	1.5
288.05878	1.6
299.05960	0.7
321.22202	0.7
323.05597	0.6
342.15579	0.6
359.23224	1.0
383.22131	1.0
391.30243	0.7
401.01459	0.6
401.28403	1.3
403.30203	0.6
407.29724	0.8
419.29367	12.4
420.29831	0.9
421.30939	1.8
429.27646	0.6
435.29019	1.9
437.30527	4.5
447.28857	2.2
453.29764	0.9
455.31516	100.0
456.31812	6.0
457.33115	8.1
465.29962	5.6
472.85141	0.6
483.31094	1.0
501.31989	4.8
698.26019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	28.5
57.03431	8.0
57.07051	14.5
61.02916	28.6
67.05495	27.6
69.07053	51.5
71.08630	9.3
71.44165	9.4
73.02901	8.3
79.05505	7.7
81.07038	42.6
83.08607	33.8
85.02882	34.5
91.03970	33.6
93.07053	17.6
95.04991	8.0
95.08601	41.4
97.02892	18.1
97.10150	29.6
107.08566	19.2
109.10140	23.8
111.11724	8.5
121.10110	33.2
123.11711	8.5
127.03896	10.4
135.11699	25.6
145.04984	18.8
149.13194	9.7
161.30319	5.7
163.05949	34.3
163.14777	6.7
245.31325	6.5
247.24205	32.8
265.25195	87.8
283.26218	17.5
316.17435	6.5
339.28860	100.0
357.29874	51.5
385.46121	6.4
701.35327	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	699.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
54.50266	0.2
55.01891	0.3
63.02369	0.6
69.03412	1.1
78.04729	0.6
79.05482	0.3
81.03415	3.7
81.07045	0.3
85.02906	1.1
86.37847	0.2
89.03905	7.8
91.05475	0.5
93.07044	0.3
97.02889	0.5
99.04444	0.4
105.07049	0.3
106.04136	0.4
107.04920	0.3
107.08561	0.3
109.02879	1.9
111.04462	0.4
117.03370	19.6
118.03742	0.4
119.04932	0.4
119.08584	0.5
121.10147	0.3
127.03877	0.8
131.08548	0.4
133.10146	0.2
134.03616	1.3
135.04408	3.3
137.06053	0.3
138.09128	0.4
139.03877	0.6
140.47603	0.2
143.08522	0.3
145.02835	48.8
146.03166	1.0
147.04396	0.4
149.05968	6.8
161.13211	0.4
163.03883	10.7
164.04089	0.2
166.08681	0.4
172.03931	0.3
173.13275	0.4
175.14828	0.3
177.05452	100.0
178.05789	1.8
181.04939	0.7
186.05502	0.7
187.14806	0.6
189.16394	0.3
191.14288	0.4
195.06520	1.0
201.16397	0.6
203.17844	0.3
235.13150	0.3
297.07574	0.6
321.09659	4.8
323.04895	0.2
339.10840	3.8
416.45541	0.2
419.29361	0.3
455.31345	0.6
506.18890	0.4
592.61444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64874	0.4
53.03925	0.6
53.13017	0.5
57.03418	0.7
63.02367	0.8
65.03928	0.6
69.03407	2.0
69.35358	2.2
70.82576	0.5
78.04676	0.8
81.03408	4.4
81.74654	0.4
85.02901	1.4
89.03383	0.6
89.03906	9.0
91.05486	1.6
93.07030	0.5
95.04960	0.6
97.02877	0.7
97.73135	0.5
99.04454	0.5
107.04938	0.6
108.92776	0.4
109.02860	1.5
111.04405	1.8
117.03368	21.5
119.04933	1.6
134.03621	1.7
135.04416	5.3
137.05986	1.4
139.03882	2.5
145.02832	51.8
146.03174	1.5
147.04390	4.8
149.05978	7.5
151.03873	1.2
154.89162	0.4
163.03893	17.3
166.08629	0.6
175.07455	0.5
177.05450	100.0
178.05775	2.4
181.04955	2.6
186.05511	0.8
191.03386	0.6
195.06535	1.3
207.06491	1.2
247.06110	0.9
286.46613	0.5
297.07657	3.0
321.09708	5.3
339.11099	4.4
506.18982	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
54.50266	0.2
55.01891	0.3
63.02369	0.6
69.03412	1.1
78.04729	0.6
79.05482	0.3
81.03415	3.7
81.07045	0.3
85.02906	1.1
86.37847	0.2
89.03905	7.8
91.05475	0.5
93.07044	0.3
97.02889	0.5
99.04444	0.4
105.07049	0.3
106.04136	0.4
107.04920	0.3
107.08561	0.3
109.02879	1.9
111.04462	0.4
117.03370	19.6
118.03742	0.4
119.04932	0.4
119.08584	0.5
121.10147	0.3
127.03877	0.8
131.08548	0.4
133.10146	0.2
134.03616	1.3
135.04408	3.3
137.06053	0.3
138.09128	0.4
139.03877	0.6
140.47603	0.2
143.08522	0.3
145.02835	48.8
146.03166	1.0
147.04396	0.4
149.05968	6.8
161.13211	0.4
163.03883	10.7
164.04089	0.2
166.08681	0.4
172.03931	0.3
173.13275	0.4
175.14828	0.3
177.05452	100.0
178.05789	1.8
181.04939	0.7
186.05502	0.7
187.14806	0.6
189.16394	0.3
191.14288	0.4
195.06520	1.0
201.16397	0.6
203.17844	0.3
235.13150	0.3
297.07574	0.6
321.09659	4.8
323.04895	0.2
339.10840	3.8
416.45541	0.2
419.29361	0.3
455.31345	0.6
506.18890	0.4
592.61444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53331	0.2
67.05476	0.2
68.56625	0.1
75.92645	0.2
96.41815	0.1
124.25882	0.2
131.97327	0.1
157.91064	0.2
185.04173	0.8
203.05237	1.9
225.08885	0.2
259.07870	1.2
301.20224	0.5
305.08469	0.2
347.09415	1.1
365.10486	3.0
412.34998	0.2
421.12970	0.9
477.62640	0.2
537.30261	15.8
538.30621	1.0
577.10699	0.2
699.35486	100.0
700.35858	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	699.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22807	0.2
50.49680	0.2
62.65050	0.2
69.57389	0.2
70.10847	0.5
74.13627	0.2
84.80365	0.2
98.22734	0.3
121.05254	0.2
129.56264	0.2
135.14949	0.2
185.04213	0.6
189.45694	0.2
214.54109	0.2
259.07953	0.4
285.46103	0.2
301.20178	0.3
347.09509	0.7
375.25140	0.4
394.07040	0.2
421.13025	0.2
488.17267	0.2
537.30298	17.7
538.30908	1.2
628.17572	0.2
699.35504	100.0
700.35803	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	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48206	0.4
55.05510	0.5
57.03432	0.9
59.72169	0.4
61.02911	3.7
64.84491	0.4
67.05501	3.5
68.75357	0.4
69.03433	2.5
69.07072	1.0
69.29569	2.4
71.04985	3.1
73.02912	2.5
79.05473	2.3
81.03418	2.7
81.07040	2.7
83.08615	0.5
85.02900	4.8
87.04485	0.5
91.03962	2.0
91.05441	2.4
93.07034	2.9
95.04961	1.0
95.08607	2.0
97.02876	3.6
97.06512	0.7
98.22739	1.0
99.04479	1.1
101.02389	1.7
105.07016	1.3
107.08598	1.4
109.02914	0.6
109.10133	2.7
112.07436	0.4
119.08593	1.5
127.03933	1.3
131.08492	0.5
133.10173	1.3
135.11761	1.1
137.09586	1.2
145.10126	0.6
146.03229	0.4
147.11635	0.6
149.09682	0.5
173.11737	0.6
175.11226	0.7
177.05463	0.7
188.72717	0.5
193.12334	0.8
211.13286	0.7
243.08441	2.4
251.12563	0.9
253.14137	0.7
451.79941	0.5
453.21225	1.5
469.20532	4.9
471.21832	4.8
487.21500	0.6
491.71072	0.6
631.86096	0.5
681.34320	0.9
699.35461	100.0
700.35901	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	700.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
61.02914	0.5
65.03935	0.8
67.05492	0.8
69.03427	1.6
69.11533	0.4
70.61250	0.4
77.03957	0.4
79.05476	1.9
80.05002	0.9
81.03414	0.9
81.05795	1.1
82.06573	2.0
85.02906	2.7
89.03903	1.0
89.27644	0.3
91.05463	1.9
92.04990	0.4
93.05768	0.4
93.07037	5.3
94.05988	0.5
94.06561	8.9
95.04996	0.7
95.07339	6.5
95.08588	0.5
95.26043	0.3
96.08126	16.6
97.02887	0.7
97.06534	1.6
97.08495	0.3
103.05447	0.9
106.06538	0.9
107.07308	0.8
108.04478	0.4
108.08110	12.2
109.02886	0.4
109.08877	1.0
110.06043	0.5
110.09674	29.2
116.04945	2.2
117.03396	0.4
118.06516	0.9
120.04471	6.8
120.08100	22.0
121.06514	0.6
121.08451	0.4
122.06029	4.9
122.09673	0.8
123.06830	0.8
124.07590	6.0
127.03806	0.6
131.04938	0.3
132.08098	0.6
134.06021	2.2
135.04440	0.5
135.62839	0.3
136.07562	10.1
137.05959	1.4
137.08406	0.3
138.05511	4.2
138.09131	44.5
139.09459	0.6
144.04439	5.8
144.08118	0.5
145.02834	1.3
146.03276	0.4
146.05997	5.0
148.03947	0.7
148.07555	7.8
150.05502	1.4
150.09117	2.1
152.07071	1.4
154.08609	0.5
156.07990	0.3
160.03963	2.3
160.07561	0.5
162.05473	3.6
163.03925	1.1
164.07056	1.2
166.05023	4.5
166.08627	72.2
167.08974	1.3
168.10237	0.5
172.03926	34.5
173.04317	0.7
174.05478	1.9
176.06978	0.4
177.05516	2.2
178.04944	1.3
180.06570	0.5
180.08105	0.3
184.09972	0.4
185.10797	0.4
186.05479	0.5
188.07033	0.6
190.04984	16.4
192.06549	1.2
194.08157	0.5
194.09721	0.5
195.09158	0.3
196.09857	0.5
197.10732	1.2
198.11458	0.7
199.12349	0.8
204.06554	15.7
205.06905	0.5
209.10754	2.1
210.11462	0.5
211.08765	0.7
211.12308	1.1
212.09375	2.8
213.10219	1.3
216.06621	1.1
218.04501	0.9
221.10776	0.6
222.07817	0.7
222.11493	1.3
223.08615	1.1
223.12263	1.2
224.09401	2.5
225.10207	3.9
225.13823	0.3
226.10947	1.4
227.11775	3.0
234.09050	0.4
235.08635	1.2
235.12314	0.6
236.09323	2.7
237.10223	11.6
238.10852	2.2
239.08142	1.7
239.11754	3.3
240.08922	0.9
241.09735	3.0
241.12125	0.3
241.13223	0.5
245.12881	1.5
247.14452	2.3
248.07014	0.4
248.09459	0.6
249.10237	1.9
250.07217	1.4
250.11020	1.7
251.08115	2.2
251.11812	8.7
252.08800	2.1
252.12466	1.5
253.09718	5.6
253.13255	1.2
255.11238	2.9
257.12903	0.6
261.10263	0.7
263.11813	2.0
264.08783	1.6
265.09705	19.0
266.10413	3.9
267.11227	3.9
268.08426	1.2
268.11530	0.5
269.09219	0.4
269.12988	0.7
271.10794	2.7
273.12320	5.9
277.09769	0.5
278.06625	6.8
278.10147	0.7
279.08133	0.6
279.11249	11.3
280.08432	2.5
280.11932	1.8
281.09198	1.8
281.12814	2.9
282.10153	0.4
283.10779	6.0
285.12329	2.2
287.14044	0.3
289.09732	0.8
291.11206	1.3
292.08023	1.7
293.09189	20.1
294.09888	4.7
295.10715	1.5
296.11426	1.0
297.12335	7.2
298.09573	0.8
299.10242	3.4
299.13657	0.8
300.11078	1.6
307.10785	5.1
309.12323	4.0
311.10303	3.3
311.13602	0.4
312.10995	4.3
312.80527	0.4
313.11755	5.4
314.12018	0.3
322.09677	0.4
323.10333	1.9
325.11795	22.3
326.12070	0.8
327.13297	0.9
335.10254	10.3
336.10602	0.7
340.10550	2.8
341.11313	16.4
342.11624	0.7
343.12778	1.2
353.11298	14.4
355.12698	0.4
356.13873	0.4
357.14417	4.4
367.13132	0.6
372.17169	0.6
373.13913	8.8
374.14246	0.5
385.13895	5.9
387.15408	0.4
390.18143	0.9
400.16479	0.5
406.17596	0.5
418.17545	1.5
432.18890	0.6
433.16150	0.5
436.18268	0.7
437.19537	1.0
442.17603	0.9
444.51328	0.4
446.17297	0.6
460.18594	1.7
462.20227	0.8
465.18903	6.6
478.19839	4.9
488.18097	7.0
492.21518	0.6
506.19199	100.0
507.19571	5.6
510.22546	1.0
520.21094	1.7
538.21844	18.3
539.22021	1.1
627.24390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32174	0.5
79.05481	1.1
82.02164	0.5
82.81167	0.5
85.80023	0.5
86.13731	0.6
91.05464	0.7
94.04195	1.6
103.94962	0.6
106.55577	0.5
109.10172	0.7
122.03623	5.9
134.13013	0.5
135.11676	1.1
137.05962	100.0
138.06294	1.9
153.12726	0.8
170.15363	1.6
182.15379	3.1
189.83138	0.6
247.07510	0.7
263.07059	1.2
275.06918	1.1
276.07526	0.8
277.08698	0.6
278.09247	0.7
289.08481	0.9
290.09302	1.1
291.09906	0.8
292.07394	0.7
293.11615	0.8
295.09598	0.7
304.07578	0.7
305.08063	1.4
306.08377	0.7
306.20605	4.7
307.09497	0.9
319.09662	3.0
320.10406	4.2
321.11130	1.4
335.08963	0.8
336.09848	2.1
347.09109	1.3
350.11551	1.4
351.12274	2.2
364.09384	1.8
365.10071	1.3
395.11221	29.2
396.11453	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27180	0.7
55.70906	0.7
61.10749	0.8
65.03933	7.8
69.77299	1.9
69.77660	1.0
79.05486	2.1
79.63595	0.6
89.03903	2.2
91.05473	7.5
91.72747	0.7
93.03400	11.9
93.40725	0.6
95.04955	1.1
96.64917	0.6
98.23401	0.9
107.04956	15.5
108.41697	0.8
109.06558	0.8
109.56550	0.6
111.04436	49.9
111.60504	0.6
117.03357	1.4
119.04903	1.7
123.04464	3.8
123.88579	0.8
131.04909	2.8
135.04407	52.8
137.02332	7.2
137.05983	3.1
139.03893	92.8
140.04167	0.9
145.02827	1.2
147.04419	1.3
153.05458	5.1
153.07004	1.0
159.04413	1.6
163.03896	21.6
163.05305	1.0
163.07521	0.9
165.06989	6.8
177.06966	0.8
181.04945	71.9
187.03946	2.6
193.06456	5.8
195.08072	1.2
197.05980	3.6
203.03375	7.0
205.06505	3.9
209.04335	0.8
211.07573	2.7
213.01810	2.5
221.05965	23.1
223.07549	5.6
225.05473	8.7
231.02896	5.8
233.06001	3.5
239.06982	7.4
243.08867	0.8
249.02870	1.8
249.05452	33.4
250.06050	2.7
251.07001	4.1
252.04195	2.8
253.04979	8.2
255.06528	4.8
256.07211	0.8
259.03842	1.5
261.05502	1.2
266.05746	1.7
267.06528	15.8
271.06055	1.6
277.01923	1.6
277.04947	27.7
278.05661	2.5
279.06519	7.4
281.04428	11.5
282.05212	0.8
284.03134	1.2
285.07529	1.0
294.05334	1.0
295.05991	67.4
296.06427	2.9
297.07553	5.1
299.08951	1.3
305.04367	4.4
306.05566	0.8
313.07098	6.3
315.08627	1.1
323.05469	100.0
324.05817	3.6
325.07004	1.2
341.06546	12.2
365.06540	1.7
411.07117	1.2
447.10721	1.4
457.09378	1.0
461.08542	1.3
475.10123	1.3
493.11404	4.3
503.09888	1.4
521.10773	18.7
600.83826	0.8
701.14001	1.4
710.64618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03952	2.8
55.01877	2.4
65.03943	2.8
67.05507	5.2
68.99776	2.6
69.03474	1.8
69.17966	1.7
77.03918	3.4
78.04754	1.7
79.05492	10.4
81.03415	3.1
83.04961	2.4
85.02919	2.6
89.03914	2.0
91.05479	7.0
93.51029	1.5
95.04966	10.2
103.05490	3.0
105.03394	2.4
105.04511	2.8
105.07031	4.2
107.04946	20.4
110.94118	1.7
111.04443	9.0
117.03372	2.9
117.07014	2.3
119.04944	5.2
120.08060	3.0
121.02846	6.8
121.06528	2.9
122.06058	1.8
123.04425	34.3
125.05972	3.6
127.03909	2.5
128.06226	2.0
129.07008	2.8
131.04927	13.5
133.02806	3.7
133.06491	7.5
134.03650	5.8
135.04451	15.6
136.07626	2.0
137.02336	18.7
137.03365	2.7
137.06003	2.6
139.03888	31.8
140.04626	3.5
143.08557	2.0
146.05980	3.2
147.04408	11.1
148.07564	7.5
149.02333	7.1
149.05988	2.3
149.07944	5.6
150.03142	5.6
151.03864	4.5
151.05019	3.4
153.05461	77.1
157.06482	3.0
159.04422	8.7
160.05183	5.5
161.06046	1.9
163.03888	57.6
164.04655	3.1
165.01863	2.9
165.05568	4.1
165.07043	9.6
167.03384	22.5
168.05667	2.0
169.06473	4.8
171.08025	5.0
173.05896	2.1
175.03917	4.2
176.06282	2.6
177.05505	5.7
177.07030	3.4
179.03407	5.7
180.04190	2.9
181.04982	3.3
181.06479	5.5
182.07266	3.8
183.08006	3.1
184.05237	9.0
185.05983	6.2
185.52823	1.6
187.03920	3.1
189.05513	4.2
190.05009	3.7
191.03392	17.3
191.04999	3.3
193.06519	6.8
194.07159	2.4
195.08057	4.3
197.05995	7.5
199.07474	8.8
202.06215	5.6
205.04817	3.7
205.06522	13.5
208.05142	2.0
209.04431	11.6
209.06123	2.6
210.06738	4.2
211.03981	1.9
211.07556	3.7
212.04678	3.8
213.01741	1.8
213.05467	12.7
215.06975	2.8
218.73700	1.7
220.05096	2.0
221.05952	22.4
223.07516	29.8
223.12166	1.8
225.05508	11.1
225.09140	4.0
226.06401	2.2
227.07030	12.5
231.02870	4.3
233.06062	15.8
236.05049	1.9
237.05478	6.2
238.06230	8.9
239.07027	39.8
239.10826	2.2
240.04169	7.1
241.04857	14.1
241.08681	2.6
242.05699	6.1
245.08160	8.7
249.05466	30.7
249.10350	2.2
250.06081	3.9
251.07016	34.4
251.11382	2.6
252.07477	2.5
252.12166	2.1
253.05014	5.5
253.08624	6.9
254.05647	3.1
255.06485	28.4
257.04419	2.5
258.05176	2.1
261.05539	2.0
263.11749	2.8
264.08820	1.9
264.12079	2.4
265.04898	3.4
266.05771	5.1
267.06479	18.4
269.04736	3.2
269.08002	20.7
271.05972	9.8
272.06744	2.4
273.07520	6.2
277.04880	17.3
278.05563	4.0
279.06577	10.4
279.11157	2.6
280.11566	3.3
281.04642	2.3
283.06036	12.0
285.07535	5.5
285.12027	2.8
286.04730	2.2
293.04282	2.6
294.05231	2.1
295.06024	36.0
297.07437	20.0
297.12500	2.3
298.08359	8.1
298.12549	2.7
301.07080	47.0
309.12216	2.1
310.12772	2.2
313.07040	25.0
315.08621	20.6
321.03903	2.9
323.05493	20.5
325.07059	5.3
331.08157	1.8
337.11792	3.2
338.12094	4.6
341.06683	6.1
343.08109	93.1
361.09225	11.6
431.18213	2.4
441.09528	2.9
457.08890	8.0
461.18896	3.4
485.08740	8.8
503.09399	3.4
515.09833	5.8
531.09241	16.2
532.09509	2.0
532.20697	2.2
536.19910	3.2
577.19763	3.3
578.20630	4.2
579.21057	3.0
588.14099	2.2
655.14160	4.1
665.12640	3.0
683.13837	100.0
684.14044	6.8
701.14410	5.2
701.49121	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	701.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.7
51.02345	1.5
53.00282	0.7
53.03912	1.0
54.36507	0.8
55.01835	2.5
58.49865	0.6
65.03893	3.9
67.05509	3.8
68.99753	2.0
71.01308	1.2
71.41296	0.9
71.87337	0.6
77.03893	3.2
79.05487	11.0
81.03367	2.6
81.07007	0.9
83.04951	1.5
89.03864	1.7
91.05482	8.1
93.03361	2.2
93.07006	0.8
95.04969	11.0
103.05473	4.3
105.03394	4.3
105.04462	2.9
105.07040	3.9
106.04128	0.9
107.04950	18.5
109.02834	2.1
111.04438	9.3
115.05435	1.7
117.03269	0.9
117.07005	1.3
117.54221	0.6
119.04942	5.9
120.16901	0.6
121.02863	5.6
121.06479	1.7
123.04427	36.9
124.01513	1.5
125.02315	1.6
125.05952	2.7
127.03886	1.3
128.06189	1.7
128.91589	0.7
129.06998	1.3
131.04927	11.2
133.02875	3.4
133.06487	6.0
134.03630	4.5
135.04391	11.7
137.02361	17.0
137.03418	2.4
137.05933	2.2
139.03899	27.6
139.05423	1.6
140.04619	3.0
141.05464	1.0
141.06931	2.9
143.04874	1.1
145.02815	1.1
145.06459	1.5
146.03630	1.1
147.04413	9.8
148.41367	0.7
149.02336	9.1
150.03105	7.0
151.03845	5.6
151.04987	2.1
152.06154	2.1
153.05463	78.5
153.06798	2.7
154.05826	0.9
154.07753	0.8
157.02731	1.1
157.06444	2.6
159.04411	8.1
160.05191	4.5
161.02339	1.2
161.05978	4.1
163.03900	50.0
164.04665	5.8
165.01833	4.5
165.05441	2.5
165.06964	11.8
166.07703	0.9
167.03389	23.8
167.04770	1.0
167.08572	2.1
168.05687	1.8
169.06422	3.1
170.02100	1.8
171.04364	1.1
171.08014	4.1
173.05986	0.8
175.03900	5.2
176.06149	1.8
177.05434	6.0
177.06960	3.9
179.03421	5.4
180.04298	3.4
180.05626	1.5
181.04887	2.5
181.06458	5.3
182.07237	3.5
183.04445	1.5
183.07988	2.5
184.05179	8.7
185.05984	5.0
187.03862	4.5
189.05444	7.1
190.06187	3.1
191.03383	14.5
193.04912	1.5
193.06465	7.5
194.07204	2.3
195.08051	4.1
196.05209	1.1
197.05983	9.3
197.09630	1.1
199.07533	12.7
202.06218	5.6
203.03349	1.3
205.04871	2.3
205.06514	14.2
206.06999	0.9
207.07893	1.1
208.05196	1.3
209.04387	11.8
209.06038	2.2
210.06667	3.9
211.03880	1.1
211.07495	5.2
212.04660	4.2
213.01910	1.2
213.05473	14.9
215.07001	4.7
217.04913	2.3
217.08490	0.8
219.02861	1.8
221.05977	23.3
222.06528	2.0
223.07529	33.5
224.04477	1.0
224.07875	1.3
225.05452	9.0
225.08987	3.8
226.06180	2.9
227.07014	11.9
229.04939	1.3
231.02794	4.8
233.06047	13.7
234.04951	4.0
236.04631	2.5
237.05446	5.7
238.06236	5.4
239.07016	42.2
240.04175	8.2
240.07530	2.3
241.04929	12.2
241.08665	2.7
242.05696	6.1
243.06387	3.3
245.08096	11.1
249.05464	32.5
250.06213	2.0
251.07022	34.1
252.04097	0.8
252.07579	1.5
253.04971	7.5
253.08566	6.4
254.05690	2.6
255.06514	29.0
256.06909	1.4
257.04459	1.7
258.05121	1.6
259.03772	0.9
261.05316	1.5
264.04059	1.1
265.04987	3.5
266.05807	3.9
267.06497	18.5
268.03638	1.9
268.06891	1.5
269.04501	2.1
269.08066	23.9
270.05310	1.3
271.05988	9.2
271.09192	1.1
272.06650	2.1
273.07596	5.3
277.04956	20.6
278.05545	1.9
279.06561	8.7
281.04532	4.3
281.07458	0.8
282.05194	2.2
283.06003	13.8
284.06500	0.9
285.07571	6.1
286.04678	3.0
287.09116	1.0
293.04483	1.7
294.05179	2.1
295.06000	36.1
297.04266	1.2
297.07532	18.7
298.08304	9.1
299.09235	1.6
301.07068	50.3
302.07407	1.2
305.04489	2.6
307.06012	2.4
309.07678	1.1
310.04730	1.0
311.05408	1.1
313.07043	21.6
315.08615	21.8
317.04205	0.9
321.03998	1.7
323.05484	20.7
324.06030	1.3
325.07056	4.5
328.05792	1.1
335.05685	0.8
337.06830	1.7
341.06549	3.5
343.08112	90.0
344.08478	3.7
347.05508	1.0
349.07129	1.0
352.05588	0.9
361.09219	12.1
367.08084	4.8
368.06863	1.5
382.08237	0.9
383.09393	0.9
387.07489	1.5
395.08755	1.1
397.06863	1.3
411.08594	3.3
413.09509	1.5
415.08102	0.8
423.08795	1.6
427.08316	1.0
429.09726	2.9
431.10959	0.8
439.07922	2.4
441.09732	2.9
457.09143	8.1
458.10147	0.9
459.10449	2.1
467.08020	1.6
469.09338	0.9
475.10184	2.1
485.08582	10.4
486.09174	2.4
503.09711	4.0
504.10254	1.3
504.89182	0.9
505.11752	1.1
515.09564	4.2
531.09229	14.3
531.16748	1.4
532.10217	0.9
545.10797	2.0
548.51776	0.7
623.11877	1.7
651.11481	3.0
655.14142	3.1
657.15601	1.2
665.12866	2.6
683.13879	100.0
684.14166	7.9
701.15057	4.8
701.49188	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01567	0.4
51.02366	1.0
53.03933	0.6
55.01849	1.1
55.70943	0.3
65.03938	2.7
67.05503	3.4
68.99767	0.4
69.03397	0.3
69.61072	0.9
69.61420	0.5
71.01311	0.3
71.32278	0.3
77.03922	2.8
78.04678	0.6
79.05493	3.2
81.07049	0.4
83.04975	0.6
85.02885	0.6
89.03893	1.1
91.04997	0.4
91.05474	3.1
93.03400	1.7
95.04960	8.4
103.05423	0.8
105.03388	4.5
105.04494	1.8
106.04163	0.7
107.04942	6.7
109.02877	0.4
111.04438	9.2
112.13863	0.4
115.05458	0.5
117.03373	0.8
119.04929	1.5
121.02834	1.0
121.06458	0.5
123.04420	38.6
124.04738	0.4
125.05987	1.8
127.03828	0.3
131.04881	2.0
133.02847	1.1
133.06448	0.5
134.03618	6.6
135.04413	10.4
137.02327	5.5
137.05960	1.1
139.03889	14.6
140.04625	0.5
141.05415	1.1
145.02780	0.5
146.03638	0.3
147.04408	5.4
148.05093	0.3
149.02354	1.9
149.06004	0.5
150.03113	2.1
151.03889	2.0
151.05025	3.4
152.04695	0.6
152.06184	0.5
153.05452	100.0
154.05797	1.1
157.68361	0.3
159.04430	1.5
159.48241	0.3
160.05188	10.5
161.05746	0.4
163.03889	54.4
164.04678	4.5
165.01813	2.1
165.05571	0.6
165.06963	3.0
167.03418	2.3
167.08452	0.5
169.06461	0.9
175.03891	0.5
176.06161	0.5
177.05457	2.1
177.06990	0.9
179.03386	3.2
180.04163	1.0
181.04942	3.4
181.06470	1.1
183.04385	0.3
183.08124	0.3
184.05215	0.7
185.06023	1.0
187.03880	2.3
191.03378	13.6
193.06505	1.7
193.65463	0.3
194.07173	0.3
195.08101	1.0
197.06023	1.8
199.07520	0.8
202.06264	0.7
203.03391	1.1
205.04874	0.6
205.06505	3.4
208.05328	0.4
209.04428	12.6
209.05959	0.7
210.04842	0.4
210.06757	0.5
211.07538	1.3
212.04605	0.5
213.05466	1.4
215.07022	0.8
221.05948	6.5
222.06680	0.6
223.07539	6.3
225.05467	3.0
225.09138	0.4
226.06038	0.4
227.07051	1.8
231.02911	0.8
233.05997	4.7
234.06554	0.4
237.05460	1.1
238.06169	0.5
239.06992	5.0
240.04053	0.4
241.04831	1.4
241.08624	0.5
243.06552	0.6
245.08226	0.5
247.07681	0.5
249.05455	9.3
250.06139	1.0
251.07028	7.5
253.04955	4.3
253.07678	0.4
253.08751	0.6
254.05617	0.4
255.06479	5.9
257.04440	0.9
261.05441	1.4
263.07144	0.7
265.05029	0.9
266.05826	0.6
267.06476	5.0
268.07236	1.1
269.04456	1.6
269.08087	3.1
271.06000	2.8
272.06769	1.0
273.07669	0.5
277.04938	4.5
278.05771	0.5
279.06491	7.7
280.06979	0.3
281.04370	1.5
281.07956	0.4
283.05954	7.8
284.06717	0.4
285.07556	2.4
291.06485	0.8
293.04507	0.4
294.05225	0.8
295.05960	12.2
296.07150	0.4
297.04092	0.8
297.07495	5.6
298.08313	10.3
299.05975	0.4
299.09134	1.3
301.07053	5.5
305.04462	0.9
307.05975	2.0
311.05740	0.4
313.07031	3.3
315.08597	19.9
319.05997	0.7
321.04001	0.8
321.07642	0.4
323.05447	5.7
325.07043	0.5
333.03778	0.4
339.04922	0.4
341.06479	7.0
343.03918	0.7
343.08096	12.5
344.08298	0.3
351.05157	0.4
359.08911	0.5
361.09015	2.8
368.06546	0.4
369.07828	0.4
383.08966	0.4
385.06631	0.3
386.43793	0.3
397.25623	0.3
401.10330	0.8
411.08536	0.8
411.66336	0.3
425.06308	0.4
429.09793	1.0
431.11295	1.3
439.08255	1.2
441.09662	0.6
442.06561	0.4
443.07809	0.5
457.09134	2.6
458.09656	0.4
459.11038	0.9
467.07602	0.6
475.10416	1.0
485.08612	3.8
503.09564	1.8
505.11539	0.4
515.09741	1.0
521.10986	1.1
531.09241	10.2
545.10748	0.7
595.07825	0.4
623.11371	0.6
637.12762	0.6
651.11261	1.0
655.14594	1.7
657.16022	1.8
665.13074	0.7
683.13855	17.3
684.14221	1.2
701.14911	39.1
701.48315	1.9
702.15234	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
55.01865	2.6
65.03943	1.9
65.63752	0.8
67.05492	2.8
68.99767	1.4
75.35875	0.8
77.03923	2.2
79.05479	8.2
81.03412	1.8
83.04967	1.3
84.80954	0.7
91.05479	6.3
93.03345	1.0
93.07081	0.8
95.04961	7.8
98.22704	1.6
103.05460	3.4
105.03386	2.8
105.04507	3.2
105.07027	2.8
107.04945	12.7
109.02872	1.3
111.04442	9.1
115.05455	1.6
117.03307	0.9
119.04941	4.7
121.02833	5.9
121.06522	1.7
123.04415	27.2
124.01517	1.5
125.02317	0.7
125.05984	1.7
127.03859	1.1
128.06192	1.2
129.06976	1.0
131.04929	7.8
133.02864	2.8
133.06470	6.1
134.03595	4.4
135.04417	10.4
137.02341	14.1
137.03358	1.4
137.05954	2.2
139.03880	23.7
140.04671	1.5
141.06944	1.3
147.04411	8.9
149.02312	6.4
149.05951	1.7
150.03133	4.2
151.03879	4.5
151.05011	2.1
152.06238	1.8
153.05453	67.4
153.06836	2.2
154.05827	1.0
156.05724	1.0
157.06516	2.3
159.04431	5.9
160.05191	4.0
161.05992	2.0
163.03894	38.0
164.04576	3.3
165.01854	3.2
165.05489	3.2
165.06992	8.4
166.07767	1.0
167.03384	19.6
167.04770	1.5
167.08560	1.8
168.05634	1.3
169.06526	2.2
170.02094	1.0
171.04422	0.9
171.08057	1.8
173.06046	0.9
175.03896	2.7
176.06224	1.6
177.05461	6.3
177.06866	1.1
179.03372	5.3
180.04140	2.1
181.04927	2.5
181.06482	3.1
182.07259	3.6
183.04347	1.1
184.05186	4.7
185.05984	3.7
187.03903	4.5
189.05435	2.5
191.03381	11.9
193.05003	1.3
193.06445	6.1
194.07310	0.9
195.08049	4.2
196.05075	0.8
197.05966	5.7
197.09595	0.9
198.06755	1.7
199.07500	7.3
201.05373	1.0
202.06248	3.5
203.03348	1.2
205.04871	2.6
205.06506	8.3
208.05208	1.7
209.04367	9.7
209.05878	1.2
210.06783	2.7
211.04262	1.1
211.07536	5.6
212.04660	3.9
213.01878	1.3
213.05435	12.0
215.06992	3.7
217.04944	1.0
221.05946	18.6
222.06378	1.1
223.04076	1.6
223.07532	27.0
225.05435	6.9
225.09102	3.5
226.06172	2.9
227.07030	10.5
229.04791	1.1
231.02879	2.6
233.06050	11.3
234.05077	1.8
236.04604	1.8
237.05446	4.6
238.06250	5.1
239.06985	28.9
240.04167	7.6
240.07661	1.0
241.04932	10.9
241.08629	2.7
242.05777	5.3
243.06511	3.6
245.08122	7.4
247.07556	0.9
249.05450	26.0
250.06079	1.8
251.06990	32.1
252.04385	0.8
252.07411	1.7
253.04872	5.6
253.08571	5.7
254.05780	2.6
255.06506	29.3
257.04291	1.2
258.05264	1.3
261.05307	0.9
264.04410	0.8
265.04868	3.4
266.05676	2.8
267.06482	16.7
268.03833	1.0
268.07172	1.3
269.04456	3.5
269.08066	21.1
270.05106	1.6
270.08554	0.7
271.06012	7.5
271.09607	1.4
272.06781	1.2
273.07571	6.1
277.04947	18.0
278.05627	1.4
279.06488	8.6
281.04425	2.2
282.05267	1.9
283.06000	11.4
284.06519	1.3
285.07465	4.9
286.04709	1.3
287.09265	1.5
293.04666	1.4
295.05991	31.1
296.06430	1.5
297.04251	1.3
297.07510	16.2
298.08307	6.1
299.09192	1.7
301.07034	43.0
302.07465	1.5
305.04474	1.7
307.06009	1.8
310.04654	2.2
313.07025	21.2
313.10385	1.7
315.08603	19.4
321.03906	2.1
323.05457	19.9
324.06012	1.3
325.07031	3.5
337.07306	1.4
341.06488	4.0
343.08102	84.0
344.08405	2.9
361.09161	13.9
367.08353	1.7
369.07748	0.9
387.07352	1.0
395.09052	1.1
396.05185	0.8
411.08676	2.1
423.08929	1.3
425.06436	1.1
429.09607	1.8
431.10651	0.9
439.08582	1.4
440.08691	1.3
441.09518	3.4
457.09204	6.9
459.10535	1.1
467.07413	1.8
475.10162	1.4
485.08670	8.6
486.09503	1.1
487.11020	0.8
503.09592	3.3
515.09851	4.1
531.09167	15.6
532.09363	1.2
543.08984	1.1
545.10516	1.6
573.10278	1.0
591.11469	0.9
623.11621	1.8
637.13275	1.1
651.11041	2.7
655.14703	4.1
657.15503	1.5
665.12811	2.2
683.13849	100.0
684.14270	9.4
701.14819	6.9
701.49310	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1499
Annotation	Theaflavate B
Peak:m/z	Relative Intensity
51.02381	1.8
54.83078	0.9
65.03938	2.7
67.05503	2.9
70.77528	1.5
77.03932	2.7
79.05508	3.5
89.03912	1.2
90.60831	1.0
91.05482	1.5
93.03378	1.4
93.77221	0.9
95.04956	5.0
103.05439	1.0
105.03423	3.4
105.04529	2.3
107.04955	5.6
108.76720	0.9
111.04433	9.8
121.02900	1.0
123.04423	34.2
125.06017	2.7
131.04900	1.7
133.02882	1.4
134.03621	5.0
135.04395	11.2
137.02380	5.5
139.03893	12.9
140.04720	1.1
147.04425	5.2
150.03146	1.7
151.03944	2.0
151.05060	3.4
153.05458	100.0
154.05820	2.2
159.04387	1.3
160.05188	9.4
163.03885	45.5
164.04680	3.6
165.07082	2.9
167.03510	1.1
177.05481	1.9
179.03455	3.7
181.04993	1.6
181.06470	1.3
191.03377	9.5
193.06483	2.3
197.05937	1.2
205.06610	3.0
209.04428	10.1
209.06030	1.0
213.05530	1.0
221.05948	5.3
223.07697	3.5
225.05489	2.7
227.07123	1.1
233.06032	2.4
237.05472	1.3
239.07114	2.6
249.05453	5.4
251.07103	2.9
253.05130	1.6
255.06592	3.2
257.04578	1.1
260.98981	1.1
262.06277	1.2
267.06635	4.1
268.07285	1.1
269.04614	1.5
269.07867	1.3
271.06137	3.0
272.06747	1.4
277.05032	3.4
279.06577	3.1
281.04349	1.3
283.05930	7.1
295.05984	8.0
297.04227	1.2
297.07742	3.1
298.08340	9.0
299.09219	1.5
301.07129	4.4
307.06149	1.7
313.07108	3.3
313.10913	1.0
315.08618	18.1
315.12048	1.4
323.05585	6.5
343.08063	5.4
361.09174	3.1
441.09445	1.7
457.09320	3.6
485.08777	4.2
503.09415	2.1
531.09216	11.9
651.11127	1.7
655.14673	1.3
665.12463	1.7
683.13892	20.9
690.79657	1.1
701.14948	43.7
701.49298	3.5
702.15222	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1497
Annotation	Theaflavate B
Peak:m/z	Relative Intensity
51.02365	0.9
55.01864	1.0
64.77809	0.6
65.03923	2.2
67.05495	3.2
69.08250	2.8
69.08650	1.5
77.03908	1.9
78.04704	0.8
79.05482	3.6
81.03400	0.8
83.04997	0.9
89.03912	1.0
91.05466	2.8
93.03380	1.8
95.04964	6.9
103.05434	0.9
105.03378	2.5
105.04481	1.4
105.07050	0.8
105.89345	0.6
106.04156	0.9
107.04951	5.0
111.04439	9.0
117.03349	1.5
119.04919	1.2
123.04418	33.7
125.05972	3.2
131.04875	1.9
133.02774	1.0
133.06528	0.6
134.03600	4.8
135.04405	9.8
136.07643	0.6
137.02353	5.4
137.03296	0.9
137.05972	1.4
139.03889	11.9
140.04605	0.8
141.05473	1.0
145.02831	2.7
147.04416	4.6
148.05173	0.7
149.02341	1.6
150.03113	1.5
151.03868	2.3
151.05019	3.0
153.05453	100.0
154.05786	1.0
159.04440	1.3
160.05183	10.1
160.25322	0.6
163.03886	50.8
164.04672	4.6
165.01755	1.8
165.07019	2.3
167.03406	1.6
169.06516	0.8
175.03854	0.9
177.05498	5.1
177.06859	1.2
179.03406	2.5
180.04216	1.2
181.04997	2.5
181.06448	1.1
184.05161	0.6
185.05945	0.8
187.03899	1.5
191.03363	11.2
193.04831	0.6
193.06512	1.2
195.08130	0.8
197.05988	1.9
203.03349	0.9
205.06487	2.5
209.04401	10.9
209.05971	0.8
211.07475	1.2
213.05516	0.7
221.05978	5.5
223.07565	4.4
225.05481	2.9
227.07143	0.8
233.06059	2.9
237.05412	0.9
239.06975	4.5
241.08401	0.6
249.05467	7.9
251.07068	5.2
253.04869	1.7
254.05788	1.0
255.06488	4.5
261.05524	1.1
261.09482	0.6
265.04999	0.8
266.05756	0.7
267.06461	3.6
268.07193	0.9
269.04446	1.3
269.08008	1.4
271.05981	2.7
272.06635	1.3
273.07654	0.7
277.04852	4.2
278.05515	0.8
279.06561	4.8
281.04355	1.1
283.05966	7.3
284.06198	0.7
285.07541	1.3
291.06543	0.8
294.05292	0.7
295.05966	11.4
297.04294	1.2
297.07605	3.7
298.08301	11.0
299.09033	1.2
301.07025	4.0
305.04773	0.8
307.06018	2.6
313.07111	2.5
315.08612	17.6
323.05450	5.0
325.07071	1.0
341.06454	3.1
343.08087	6.7
361.09164	2.5
380.06946	0.7
395.09091	0.8
413.10184	1.2
415.08163	0.7
429.09735	0.8
431.11356	1.2
439.07935	0.8
457.08917	2.9
459.10760	1.4
470.87018	0.7
475.10516	1.3
485.08566	3.9
503.09845	1.1
521.10846	0.8
531.09241	10.4
545.10419	0.8
651.11005	1.4
655.14160	1.6
657.16223	1.5
665.12378	1.5
683.13861	20.6
684.13776	0.8
701.14868	43.6
701.49084	7.5
702.15723	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.371
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55042	0.3
66.79976	0.3
69.09728	1.2
69.10155	1.0
88.62794	0.3
110.23952	0.3
114.57147	0.3
119.08576	0.4
168.06932	0.4
184.07375	0.5
185.04211	0.7
258.95065	0.3
259.07874	0.6
347.09579	1.1
539.31866	20.6
540.31989	1.1
701.37061	100.0
702.37433	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	701.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12470	0.3
50.69179	0.4
53.27216	0.5
60.21128	0.4
64.74079	0.4
67.05518	0.4
69.33209	1.4
69.33617	0.8
74.32674	0.4
95.49072	0.4
105.22786	0.4
114.25772	0.4
117.44923	0.3
185.04295	0.7
203.05281	1.6
259.08014	1.1
289.28534	0.4
305.08350	0.4
347.09604	1.3
365.10464	3.1
386.65140	0.5
421.13293	1.4
484.09631	0.5
539.31885	17.9
540.32300	1.1
701.37097	100.0
702.37518	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	702.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13161	7.0
65.62012	8.1
67.37334	7.3
69.95389	7.8
89.70087	7.5
123.04438	28.5
125.02346	18.2
133.02875	10.9
137.02318	36.4
137.06007	9.9
137.39453	9.1
141.06973	23.9
150.05501	11.6
151.03928	16.3
163.03886	26.7
165.07013	11.3
169.06468	39.6
187.03883	13.3
187.52930	9.2
197.05930	30.3
205.04865	10.2
205.06564	10.9
211.07506	11.6
215.06992	22.3
221.05969	13.6
223.07619	17.0
231.02908	27.1
237.09090	12.5
239.07021	13.4
249.05426	19.6
250.05989	8.3
263.07230	13.7
265.08511	32.2
271.05991	89.2
277.04773	16.4
281.07968	13.9
283.09625	25.0
285.07550	17.2
292.65158	8.8
308.18314	8.3
309.07581	26.4
313.07062	100.0
314.07187	14.9
327.08649	45.8
331.08041	24.2
337.07001	40.1
454.01337	9.2
667.13910	49.2
701.49200	58.0
702.49213	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
54.00898	2.0
65.03957	1.7
69.09959	1.4
69.72904	5.3
76.31804	1.6
77.03931	1.8
79.05499	4.0
81.03405	4.5
83.04962	11.5
85.02912	4.0
87.00790	2.5
91.05470	10.1
94.04159	1.5
95.04946	3.5
97.02872	2.4
98.22708	2.3
99.04435	12.9
103.03938	2.6
103.05461	35.0
105.07018	20.1
107.04938	31.3
109.02862	2.7
111.04436	3.0
111.85337	1.7
114.54118	1.4
115.05418	1.9
117.03349	1.9
119.04977	8.0
121.06516	9.0
122.03639	3.9
125.05917	1.6
127.03905	19.8
129.06981	6.4
131.04915	82.6
131.08665	1.7
132.05255	2.2
133.02771	3.7
133.06470	28.1
135.04408	5.9
135.08029	12.0
137.05966	67.4
145.02899	2.4
146.07312	2.7
147.04388	5.1
148.05174	4.4
149.05994	11.9
151.03902	20.4
151.07542	14.4
157.06461	4.5
161.05966	78.9
161.07323	3.9
161.09589	29.2
162.06602	4.7
163.03896	20.6
163.07527	73.2
164.04202	2.8
165.09094	22.8
173.09586	2.2
174.06760	3.9
175.07538	5.1
177.05469	5.4
177.09064	2.0
181.08592	7.3
183.10159	24.7
187.59596	1.5
189.09087	100.0
190.09389	2.0
191.06995	12.4
193.08588	4.4
207.10149	85.6
209.08057	13.3
210.06717	3.1
211.07460	2.4
213.01749	2.3
219.10172	3.3
221.05960	7.4
221.09668	3.1
224.08238	3.0
225.09033	4.3
227.10712	2.2
231.02661	1.8
233.07930	10.8
237.09070	3.5
238.06090	1.7
249.05316	2.6
253.08511	4.2
253.12224	6.3
255.10181	2.4
265.08554	1.9
267.10104	2.8
269.08145	2.7
277.04926	4.7
281.11633	3.8
285.11252	13.6
287.12769	3.8
289.14395	2.6
291.12280	27.1
293.11847	3.1
294.05063	2.6
295.08066	10.9
297.11212	4.7
309.07504	2.8
309.13297	24.9
313.14316	19.6
315.12302	16.4
323.05377	2.1
325.14285	7.2
331.15329	36.7
333.13348	15.1
337.07224	9.7
339.12070	2.4
339.21542	1.8
343.15308	6.9
345.13074	3.0
351.14368	5.2
357.13327	2.0
439.17496	35.3
440.17682	2.6
451.17490	4.0
457.18344	4.8
469.18390	4.7
522.82166	2.0
582.79053	2.1
612.54327	1.8
698.67792	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02315	2.8
65.03941	2.9
70.08564	7.1
77.07784	2.6
81.03393	4.2
83.04974	8.4
83.81318	3.5
85.02900	2.9
91.05479	11.8
93.03395	7.4
98.23357	3.2
99.04445	15.6
103.03960	4.2
103.05468	35.7
105.07040	21.7
107.04953	36.3
109.02850	4.7
111.04433	14.4
119.04916	9.7
121.06554	5.9
127.03937	25.7
129.06970	7.4
131.04918	82.2
133.02974	3.5
133.06480	53.3
135.04395	13.3
135.08032	9.2
136.04778	4.9
137.05969	100.0
139.03873	23.7
140.04196	5.8
147.04419	8.3
149.05971	11.0
151.03899	22.9
151.07529	13.1
153.05510	3.6
157.06519	6.0
161.05965	72.1
161.09573	26.4
162.06662	4.2
163.03897	5.6
163.07529	81.8
165.09111	51.7
174.06825	5.1
175.07556	3.7
179.07036	8.6
181.04999	14.1
182.05344	6.7
183.10146	44.3
189.09088	95.6
191.06999	10.2
207.10139	85.0
221.05876	8.1
233.08109	8.9
249.05400	7.1
250.05899	3.8
253.08539	4.3
253.12404	3.4
267.10172	4.1
277.04974	5.8
285.11270	9.4
289.14243	3.9
291.12259	45.1
295.05905	14.3
296.06378	8.4
297.11353	7.9
309.13290	33.9
313.14206	19.7
315.12271	12.2
323.05634	18.3
324.05759	13.7
325.14297	3.8
327.14368	9.5
331.15335	29.7
333.13266	18.6
343.15454	7.0
345.13510	4.1
439.17456	24.1
451.17178	3.5
481.60315	3.4
522.10669	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	702.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.0
57.03441	1.2
60.08158	7.7
67.05497	8.7
69.03417	1.2
69.07054	1.8
71.07368	3.8
79.05485	5.2
81.07056	6.0
83.08614	4.9
86.09696	30.4
91.05467	2.2
93.07037	4.9
95.08611	4.6
97.10162	9.6
98.98460	3.0
101.05965	0.8
104.10725	2.0
105.07003	1.5
107.08595	5.6
109.10132	2.2
115.60785	0.8
119.08526	1.2
121.10133	2.7
123.11724	0.8
124.99996	21.6
125.09620	8.1
131.08600	1.0
135.11650	1.5
184.07321	100.0
185.07639	1.3
189.11205	7.0
189.23100	0.8
227.12766	9.1
227.20116	1.4
236.72562	0.7
245.13821	13.0
261.21997	3.2
315.76566	0.8
332.51331	0.8
335.25720	12.7
368.03403	0.8
412.66071	0.8
487.33975	1.2
505.35193	9.8
638.18542	0.9
702.47015	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	702.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.2
57.03429	0.9
60.08158	5.2
62.82165	0.5
67.05497	5.3
69.07058	1.7
71.07378	3.5
73.45908	0.6
79.05483	3.5
81.07039	5.2
83.04945	0.6
83.08598	3.3
86.09698	29.9
89.06006	0.7
91.05456	2.3
93.07044	4.3
95.08594	3.8
97.10160	6.6
98.98457	3.9
104.10714	2.0
105.07006	2.3
107.08582	3.2
109.10163	1.8
110.76605	0.6
113.51810	0.6
115.83290	0.6
119.08535	0.8
121.10149	1.3
124.99991	20.3
125.09643	5.7
131.08508	1.0
133.10107	1.1
135.11707	1.0
145.09979	0.7
149.13252	0.7
159.11763	0.8
184.07321	100.0
185.07683	0.8
189.11198	5.2
227.12749	9.3
233.02553	0.6
245.13850	9.9
261.22153	2.6
289.01093	0.6
317.24792	0.7
335.25745	8.2
390.47592	0.8
415.18466	0.6
420.16998	0.7
487.34326	0.8
505.35187	2.4
702.46985	5.8
703.47412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70723	0.6
65.03941	9.2
79.05486	2.5
89.03894	1.7
91.05463	8.7
93.03397	14.4
95.04967	7.6
103.05471	1.1
105.04463	1.2
107.04941	16.6
111.04433	52.1
112.04815	0.8
117.03370	1.9
119.04936	8.3
123.04420	15.2
131.04922	1.0
135.04402	57.9
137.02328	6.2
137.05960	2.9
139.03888	95.6
140.04260	1.6
146.81659	0.7
147.04398	4.4
147.96817	0.8
153.05466	1.4
157.02846	0.8
159.04453	0.8
163.03889	21.1
165.05464	12.0
165.06984	7.5
169.06453	1.7
176.55328	0.8
177.05518	0.8
177.06934	1.6
179.03426	1.0
181.04942	83.7
182.05319	1.9
187.03836	4.0
187.19542	0.7
193.06500	5.5
197.05983	3.4
203.03360	10.8
203.05043	1.0
205.06458	5.1
211.07495	3.7
213.01819	3.3
215.06851	0.8
221.05945	21.6
222.06396	1.1
223.07497	4.9
225.05455	9.7
231.02855	6.1
233.06096	3.4
239.07021	9.1
245.72668	0.8
249.05443	28.8
250.06021	2.5
251.06947	4.5
252.04221	3.5
253.04912	7.7
255.06480	4.0
259.03802	1.2
261.05359	1.5
266.05786	1.1
267.06500	16.8
268.06998	1.4
269.04453	2.0
269.68216	0.7
271.05954	2.8
277.04950	25.7
278.05624	1.5
279.06409	6.8
281.04413	10.4
284.03159	1.4
285.07404	1.5
294.05057	1.3
295.05988	73.6
296.06363	3.0
297.07520	5.9
299.05673	1.0
299.09113	2.0
305.04391	3.9
313.07034	9.6
323.05453	100.0
324.05838	4.8
325.07288	1.1
341.06570	9.6
365.06668	1.9
411.06723	1.1
447.10632	1.0
475.10562	1.0
493.11368	4.0
505.10977	0.8
521.10809	8.8
639.73010	0.9
702.49274	5.6
703.49524	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11626	1.0
59.12964	1.2
65.89671	1.1
68.10136	1.1
69.42888	4.1
95.59051	1.2
121.35299	1.1
180.45926	1.1
184.07436	2.2
216.98518	1.3
289.96826	1.1
294.47446	1.2
385.16669	1.2
541.33478	18.2
703.38666	100.0
704.39233	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	704.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94008	1.3
65.03918	1.4
67.30622	1.0
69.23734	5.3
79.05511	1.1
81.03407	1.3
91.05468	12.3
93.07009	1.2
95.04962	38.0
103.05484	4.1
105.04547	2.5
107.04958	3.5
109.06499	1.6
111.04410	7.7
119.04932	46.9
121.02872	1.6
121.06535	2.5
123.04422	100.0
124.04753	2.2
131.04884	1.8
135.04417	6.5
137.02344	5.9
137.05962	2.1
139.03903	15.1
147.04399	30.5
151.03922	3.7
159.04436	2.1
163.03865	3.2
165.05469	86.6
165.06787	3.5
166.05791	2.3
181.04971	9.8
187.03920	2.8
193.06416	2.8
195.08070	1.5
197.06033	1.5
203.03381	7.7
205.06534	3.4
208.47182	1.3
211.07657	2.0
213.01892	2.1
221.05971	14.0
223.07541	5.1
225.05388	7.3
231.02878	4.5
233.06007	5.4
237.05478	2.5
239.06978	6.9
249.05443	14.8
250.06091	2.4
251.06969	8.0
253.04936	7.6
255.06459	2.3
261.05536	2.4
265.04913	2.1
267.06494	8.4
271.06134	2.0
277.04871	10.2
278.05652	2.0
279.06473	16.7
281.04437	5.3
281.08005	1.3
285.07648	1.6
289.04941	1.2
295.02600	1.9
295.05984	39.2
297.07599	4.4
305.04285	1.5
307.06039	14.4
309.07635	1.4
313.06998	18.7
323.05460	54.4
324.05832	2.0
325.06992	1.9
341.06555	3.7
459.10846	1.7
477.11646	3.8
505.11246	27.6
506.11765	2.7
703.49713	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38186	0.3
56.05015	0.9
58.06615	0.5
60.07872	0.5
60.08156	6.8
67.05483	0.8
69.23136	1.7
71.07363	3.2
81.07033	1.1
84.21690	0.3
86.09696	31.7
86.37736	0.3
87.10017	0.6
89.06008	0.3
91.05474	0.3
91.45510	0.3
93.06992	0.6
95.08614	0.5
98.23402	0.7
98.98454	3.1
104.10731	2.9
107.08610	0.4
109.10150	0.3
119.32143	0.3
124.99991	19.4
184.07320	100.0
185.07680	1.0
262.93945	0.3
563.42859	1.2
704.44940	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	704.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05022	0.5
58.06594	0.4
60.07868	0.4
60.08156	5.6
67.05507	0.6
69.13569	1.0
69.13976	0.6
69.61517	0.2
71.07372	2.4
80.14880	0.2
81.07038	0.5
86.09695	29.1
87.10030	0.4
91.05408	0.3
98.98444	2.8
104.10735	2.3
108.95158	0.3
124.99986	20.0
143.01007	0.4
184.07318	100.0
185.07686	0.9
225.07744	0.2
426.02112	0.2
446.24121	0.3
578.04114	0.2
704.48865	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	705.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27799	0.5
64.22916	0.7
69.55981	2.4
86.01090	0.6
86.33536	0.6
97.77164	0.5
109.59933	0.5
113.35608	0.6
122.16228	0.6
123.63869	0.6
171.45805	0.6
215.99652	0.7
363.06339	1.0
381.06964	0.7
423.08289	2.6
523.96320	0.7
543.13184	28.7
544.13788	1.2
705.18402	100.0
706.19177	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	705.1843
Annotation	Diinsinin
Peak:m/z	Relative Intensity
54.37221	0.9
56.39028	0.8
64.19743	0.8
69.90975	3.0
69.91325	1.5
80.27945	0.9
83.80538	0.9
90.85430	0.9
97.22912	0.9
110.29333	0.9
112.89623	2.8
114.89307	1.3
144.50410	1.0
166.64980	0.9
199.69693	1.0
424.20142	1.0
481.99072	1.1
543.13159	30.5
544.13397	1.2
575.64850	1.1
705.18402	100.0
706.19043	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	705.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63701	1.0
67.05499	1.3
71.42358	1.2
72.17533	1.0
89.48412	1.2
93.94772	1.3
157.40764	1.1
168.38135	1.1
175.51952	1.1
184.07310	2.4
230.15135	1.1
321.97202	1.2
361.41937	1.4
472.89392	1.1
481.18286	2.1
499.18457	1.3
543.37256	1.5
652.18884	1.2
705.32281	100.0
706.32538	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	706.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01865	3.7
55.05499	16.3
57.03428	4.0
57.07079	6.3
59.05003	8.4
61.02907	4.5
65.03951	2.8
67.05495	25.7
67.30299	2.7
69.03425	16.1
69.07072	18.8
71.05001	7.8
71.32421	2.7
73.30619	2.1
79.05472	16.4
81.03432	7.3
81.07049	53.0
81.07504	3.7
81.92403	2.2
83.04986	4.3
83.08611	16.6
83.88746	2.2
85.02892	32.2
85.06532	17.2
85.06973	2.0
86.95640	2.0
87.04485	2.9
91.05466	15.4
93.07035	42.7
95.04999	7.3
95.08596	57.2
97.02893	11.2
97.10198	6.0
99.08103	5.3
105.07005	32.2
107.05014	2.8
107.08578	51.8
107.09238	2.7
109.02882	5.8
109.06519	3.6
109.10147	44.3
113.02782	2.9
113.09635	53.0
113.10376	3.4
117.07028	6.8
119.08567	50.3
120.08929	2.4
121.06525	5.3
121.10122	63.2
121.10960	3.5
123.11695	43.8
123.12527	3.5
125.09630	4.4
127.03954	9.8
131.08531	22.1
131.52676	2.3
133.10115	100.0
134.10509	2.7
135.04440	3.6
135.08078	3.2
135.11674	65.8
135.12613	4.7
137.05992	3.8
139.11217	8.0
141.12723	3.2
142.07758	2.2
143.08566	3.6
145.04951	4.8
145.10103	39.0
147.11661	26.1
149.13254	17.4
151.11148	3.4
157.10168	6.9
158.10930	2.6
159.11659	31.8
161.13303	11.3
161.14609	2.2
163.03946	8.6
163.14857	8.5
165.12741	4.8
171.11729	4.8
173.13243	71.8
174.13698	2.1
175.14790	17.6
177.12767	2.9
177.16417	3.1
184.74530	2.2
185.13293	2.4
187.14793	38.8
191.14297	4.2
193.15910	2.7
201.16356	12.2
201.51317	2.2
203.17938	24.3
205.15988	8.4
211.14902	2.5
243.21069	54.5
255.21225	2.8
261.22092	64.5
273.22119	4.1
327.12897	1.9
369.24341	3.5
387.25336	4.1
405.26431	3.0
423.27570	4.0
508.76349	2.3
622.29773	2.2
667.55225	2.4
706.21777	47.1
706.46625	2.5
707.21954	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	706.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40432	0.2
55.05499	0.3
56.05019	0.5
57.07062	0.5
58.06366	0.1
58.06609	0.4
60.08157	6.8
60.08466	0.3
67.05469	0.4
69.63895	0.6
70.06567	0.2
71.07368	3.4
71.08659	0.1
71.21649	0.2
79.05479	0.3
79.11102	0.1
81.03438	0.3
81.07061	0.4
86.09698	31.9
87.04456	1.1
87.10020	0.3
90.16911	0.1
93.07047	0.2
95.04950	0.3
95.08614	0.2
98.98463	3.0
104.10736	2.6
105.07008	0.2
119.08600	0.2
121.10141	0.2
124.99993	21.2
130.98697	0.2
133.10043	0.2
143.01105	0.3
145.05440	0.1
154.64182	0.2
184.07326	100.0
185.07684	1.3
335.25693	0.2
352.50272	0.2
484.04611	0.2
706.46545	5.7
706.58704	0.3
707.36658	0.2
707.47369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23027	0.6
55.05510	0.9
57.03412	0.5
57.26596	0.5
67.05502	0.6
76.70460	0.5
79.05489	1.1
81.03416	1.6
81.07078	0.8
91.05492	0.8
93.07043	1.4
95.08611	0.8
119.08568	1.1
145.10150	1.0
283.15369	0.8
399.27173	1.8
475.27023	1.9
495.29410	0.7
525.30450	1.1
543.31659	4.7
689.35034	4.1
707.36029	100.0
708.36475	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	707.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.4
66.97205	0.4
67.05516	0.5
69.14764	1.5
76.32825	0.4
86.09718	1.7
87.04479	1.3
91.32159	0.4
107.08611	0.5
125.00047	0.9
128.53241	0.4
184.07324	6.3
185.07652	0.9
187.37312	0.4
246.83389	0.4
386.35178	0.5
393.17142	0.5
535.26563	1.0
707.37531	100.0
708.37958	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	707.376
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.0
70.93417	2.0
77.34187	1.1
82.34077	1.0
86.09719	2.4
87.04450	2.4
88.63677	0.9
115.02866	1.0
122.02918	1.0
125.00028	2.2
151.08794	1.0
159.77690	1.2
184.07303	9.2
254.59425	1.0
293.69733	1.2
707.37524	100.0
708.37970	10.8
717.33020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
54.22380	0.7
55.05499	2.4
57.03429	1.9
59.13654	0.7
61.02923	5.3
62.38263	0.7
63.18636	0.6
65.03913	1.0
67.05493	5.8
69.03435	4.0
69.07054	1.3
73.02920	4.1
75.29782	0.9
79.05489	4.0
81.03407	2.0
81.07051	5.3
83.04958	1.4
83.08617	1.0
85.02912	4.5
86.28972	0.9
91.03963	3.3
91.05480	3.1
93.07024	4.1
95.08580	3.5
97.02289	1.2
97.02876	5.7
97.10149	2.4
99.04448	1.2
101.02372	1.5
103.13726	0.8
103.51680	0.8
105.07014	1.7
107.08566	1.9
109.10168	1.7
118.55471	0.9
119.08575	1.5
121.10137	3.2
123.32532	0.8
125.09609	2.1
127.03883	1.0
131.08560	0.9
133.10110	1.2
135.11711	1.2
184.07388	2.3
185.04208	1.3
211.09435	1.9
211.83549	0.9
234.30766	0.8
243.08372	1.4
247.10507	0.7
429.17307	3.2
519.29199	7.4
520.28796	0.9
545.38550	1.1
707.39630	100.0
708.40088	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	707.397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58274	0.6
55.01859	0.7
55.05495	1.1
57.03424	1.0
61.02917	3.6
67.05501	7.8
67.84644	0.7
69.03436	1.1
69.07058	1.2
73.02905	2.6
79.05484	3.9
81.03397	1.5
81.07042	3.2
83.08591	0.8
85.02906	5.2
91.03958	2.9
91.05470	4.1
93.07021	3.5
95.04953	0.9
95.08607	1.8
97.02903	3.8
98.22720	2.0
99.04552	0.7
101.02376	1.2
105.07051	2.1
107.08597	2.2
109.02843	0.7
109.10144	4.0
117.07045	0.9
118.68880	0.7
119.08607	1.9
121.10097	0.8
127.03924	1.2
131.08563	1.3
132.72571	0.6
133.10146	1.9
143.08600	0.9
145.10126	1.5
147.11705	1.1
172.91263	0.7
173.11755	1.6
185.04254	1.3
210.12061	0.7
229.14415	0.9
243.08383	3.1
301.08875	2.0
325.92145	0.6
373.11261	0.7
413.17770	7.0
485.20026	0.9
535.28662	6.2
707.39685	100.0
708.39941	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	708.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30453	1.7
55.05510	9.3
57.03440	6.5
57.07070	2.6
61.02918	28.0
63.98736	1.8
65.03926	2.5
67.05497	52.3
69.03419	1.9
69.07050	9.1
69.38926	7.7
71.04987	2.0
71.17203	1.8
72.44701	1.8
73.02929	8.8
74.16755	1.7
79.05485	27.6
81.03414	2.2
81.07051	64.8
83.08620	6.1
85.02897	34.0
91.03944	25.7
91.05482	17.3
93.07042	37.2
95.04953	3.0
95.08596	50.2
96.71600	1.7
97.02872	21.6
97.06529	2.3
97.10164	3.1
99.04491	2.1
99.08072	2.3
105.07012	16.6
107.08575	26.7
109.10152	26.9
111.08087	2.5
113.09668	2.5
115.03933	2.3
117.06983	5.5
119.08572	13.6
121.10135	23.6
123.11707	14.5
127.03880	13.0
131.08551	15.7
131.65414	2.1
133.10106	11.2
134.69479	2.1
135.11668	21.6
137.13277	5.4
138.12793	1.8
145.04959	15.4
145.10115	13.8
147.11656	8.9
149.13254	17.7
151.11275	3.2
153.12779	2.1
159.11731	10.4
161.13268	10.4
163.05991	15.2
163.14804	14.3
165.12761	3.1
173.13252	15.8
177.16425	6.2
179.14223	3.8
187.14838	8.2
194.10201	2.4
205.15874	3.2
215.00816	2.3
233.22623	2.2
243.21060	33.6
244.21558	2.3
257.45624	1.9
261.22122	100.0
262.22495	2.4
263.23734	2.2
279.23224	4.6
300.72873	1.9
320.13690	2.3
335.25793	32.0
345.13654	2.0
353.26828	54.3
414.69669	1.8
497.30664	2.6
614.25482	2.0
707.83282	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	709.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51678	0.7
51.40887	0.8
52.73396	0.8
55.05509	3.0
57.03440	2.8
61.02926	5.9
67.05488	6.2
69.03432	3.6
69.07079	2.0
69.62232	3.5
71.05018	1.3
73.02924	3.1
79.05494	4.7
81.03409	6.2
81.07051	6.4
83.04978	1.5
83.08628	1.8
84.16460	0.9
85.02895	7.5
91.03966	3.7
91.05479	5.6
93.07063	3.4
95.04951	4.2
95.08612	2.5
97.02874	4.0
97.06515	1.0
97.10155	1.1
99.04494	1.2
101.02355	1.9
105.07030	2.9
107.04977	1.5
107.08605	2.2
109.06523	1.0
109.10144	1.1
119.08624	1.4
121.10152	1.6
127.03954	2.4
131.08597	1.7
133.06564	1.0
133.10120	2.0
135.11726	1.2
145.10043	0.9
147.11711	1.0
149.09741	1.1
157.10158	1.5
165.09033	0.8
193.12277	1.6
211.13428	1.5
223.13403	1.0
243.08450	1.6
251.12407	0.8
265.51407	1.0
269.17621	0.9
269.84592	0.8
469.20316	4.9
481.20425	5.5
494.28375	1.5
516.37286	1.0
592.53003	0.9
665.31677	1.1
709.34113	100.0
710.33990	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	709.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25625	0.4
52.85100	0.4
53.03947	0.4
55.01849	0.4
55.05522	0.8
55.74174	0.4
57.03426	1.4
58.95914	0.3
61.02915	4.3
63.76502	0.4
67.05499	3.8
69.03418	2.7
69.07057	0.8
69.46649	0.4
71.01359	0.4
71.04980	3.2
71.43569	0.4
73.02910	3.0
79.05486	2.9
81.03420	1.4
81.07052	4.7
83.04974	0.8
83.08624	0.8
85.02882	3.1
86.19044	0.4
91.03938	2.2
91.05462	4.0
93.07034	3.9
95.04969	1.3
95.08595	1.1
97.02891	4.0
97.06532	0.7
101.02387	1.2
105.07028	2.1
107.08601	1.4
109.02843	0.5
109.10173	0.6
111.26836	0.4
117.07065	0.9
119.08590	1.0
121.10127	0.5
123.11740	1.0
127.03934	1.5
129.07080	0.4
131.08566	0.5
133.10120	2.6
135.84747	0.5
145.10126	0.6
147.11693	1.6
151.11188	0.8
171.11693	1.0
185.04317	0.5
203.05278	1.0
207.13788	0.6
243.08398	2.4
247.13130	0.8
257.17456	0.7
432.91119	0.5
465.20984	8.6
466.21854	0.5
485.23584	5.6
516.79266	0.5
709.37579	100.0
710.37976	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	711.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19607	0.2
62.98245	2.9
88.99781	0.8
90.97698	0.9
104.99259	18.0
116.99242	9.1
119.00844	0.9
122.99023	2.1
128.99226	0.5
131.00836	0.5
131.97949	0.7
133.74034	0.3
134.99197	0.6
135.00269	9.3
141.00079	3.1
147.00229	2.3
150.98531	1.0
153.00056	0.7
155.00687	0.4
159.00223	0.9
165.00076	8.8
165.01360	4.3
166.00218	0.5
167.01718	0.3
168.99586	1.0
171.00293	0.8
171.72397	0.3
177.00076	8.8
177.01392	2.4
178.00151	0.4
179.01636	1.5
182.02719	0.3
183.01122	2.6
185.04181	0.7
189.00089	0.4
189.01381	3.5
191.01578	1.7
192.99571	1.0
195.01122	3.8
203.01614	0.8
207.01111	10.1
208.01332	0.5
209.02707	0.6
219.01109	2.8
221.02650	0.7
225.02142	3.0
225.03722	1.4
227.05290	0.7
231.01083	0.6
237.02226	2.2
243.03331	0.5
245.06451	0.4
249.02559	1.0
249.03421	1.2
253.01749	0.4
267.04254	13.6
268.03394	0.8
275.07208	0.4
279.03174	2.7
285.04193	2.7
297.05609	2.5
309.04245	3.5
315.05353	1.2
321.04462	0.4
327.05313	3.7
339.05316	1.2
347.09445	0.8
351.05206	0.4
365.10339	0.4
369.06357	10.7
370.06589	0.6
387.07584	32.9
388.07648	2.2
405.08533	0.9
407.11890	0.4
411.08646	1.7
429.09097	100.0
430.09070	5.7
447.09546	1.3
459.09390	2.0
463.26309	0.3
471.10635	0.8
489.10614	32.0
490.10919	2.4
513.11090	0.5
531.11847	5.5
532.11658	0.4
549.13043	1.8
695.69562	0.3
711.19196	7.9
712.19421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.05507	0.6
61.02913	1.5
65.46532	0.4
67.05504	1.2
67.38900	0.4
67.39351	0.4
67.99446	0.5
69.03418	1.5
69.77763	1.4
73.02917	1.3
79.05473	1.1
81.03419	1.1
81.07040	1.9
83.04965	1.0
83.08603	0.5
85.02887	1.7
91.03944	0.8
91.05484	1.5
93.07037	1.3
95.04987	0.6
95.08580	0.7
97.02896	2.3
98.22751	0.9
101.02390	0.7
107.04927	0.8
107.08578	0.8
109.02853	0.6
119.08624	0.5
127.03862	0.8
135.11684	0.9
145.10147	1.1
155.08548	0.4
163.11247	1.4
169.42839	0.4
174.28777	0.5
191.10674	0.5
243.08440	0.5
248.50072	0.5
249.11151	0.6
283.15234	0.5
409.72220	0.6
467.18832	3.6
485.19104	0.6
488.32632	0.5
496.29630	0.6
693.30719	3.1
711.30109	100.0
712.30219	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	712.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85423	4.4
61.02923	5.5
62.81266	4.2
63.83664	3.9
69.03419	19.7
70.55317	4.5
73.02895	6.0
73.18227	4.9
81.03415	14.8
85.02901	40.0
87.00825	20.5
97.02882	21.0
99.04422	8.3
105.01862	25.7
107.25299	5.2
109.02860	17.7
111.04453	5.1
119.05856	4.4
127.03902	32.3
134.44872	4.6
145.04938	17.0
159.02838	10.5
179.08656	5.2
192.09396	6.3
202.07751	4.5
204.09244	6.9
206.10902	8.8
208.08885	14.9
209.09560	5.7
216.09319	8.3
219.08116	8.0
219.11719	10.7
220.08832	5.7
221.09596	11.7
221.13229	19.4
225.09042	4.5
231.11656	6.1
234.10281	9.9
239.10727	13.0
247.11163	8.1
249.12744	43.6
265.12238	22.1
267.13797	100.0
283.13177	9.2
285.14844	94.6
327.16275	6.2
374.22379	5.6
528.15051	5.5
533.19873	10.4
573.75354	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	712.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19905	0.5
55.05507	4.7
57.03425	1.9
61.02924	1.2
65.03936	0.5
67.05499	2.2
69.03429	1.3
69.18372	1.0
69.18775	1.8
71.01331	0.5
71.04999	0.6
83.04975	42.2
84.05338	0.6
85.02897	100.0
86.03222	1.4
87.04439	1.1
89.03920	0.9
94.22451	0.5
96.40719	0.5
97.02888	1.4
99.04472	0.7
101.05991	0.5
103.96206	0.4
111.04435	24.9
117.03372	3.8
127.03897	5.5
129.05467	13.4
137.05978	1.5
138.76257	0.5
145.02820	13.9
149.05907	0.9
151.07578	0.6
171.06511	78.5
172.06900	1.2
177.05450	47.8
178.05788	1.2
182.17786	0.6
189.07564	45.1
190.07887	0.8
195.06552	0.8
339.10675	12.3
340.11121	0.5
359.14734	0.9
365.12006	0.6
390.97287	0.5
509.16272	1.1
627.69623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89948	0.6
53.03936	2.4
55.01855	1.4
57.03419	1.7
57.68833	0.5
61.02909	2.2
62.13292	0.6
68.99776	1.3
69.03421	11.6
70.00795	1.2
71.04980	1.3
73.02910	1.4
81.03412	9.2
85.02897	27.5
85.51209	0.6
87.00823	15.2
97.02888	12.7
98.23420	0.8
99.04438	3.7
105.01860	17.5
109.02878	10.6
117.01853	0.9
117.03376	0.6
127.03904	21.5
129.01793	1.1
129.95624	0.6
135.04414	0.7
145.04942	7.6
147.02855	0.7
159.02843	3.9
163.03905	2.0
165.07010	0.8
177.54677	0.6
178.07730	1.5
179.08502	3.8
181.10118	0.6
191.08501	2.1
192.09303	3.1
193.10043	4.0
195.07959	0.9
204.09158	1.2
206.07251	0.7
206.10860	3.9
207.08107	4.1
207.11600	1.8
208.08812	9.7
209.09541	1.5
210.10469	0.7
211.07542	1.3
211.14861	0.9
213.03915	2.2
215.08540	2.1
216.09343	5.4
219.07957	3.3
219.11624	0.8
220.08810	2.2
221.09633	7.5
221.13200	12.1
224.08296	1.1
225.09030	1.1
226.09882	2.6
231.04976	7.8
231.11618	3.8
233.09651	1.4
233.19608	0.7
234.10393	7.2
237.12732	1.4
238.09834	2.5
239.10605	8.2
239.14369	1.9
247.11319	1.4
249.06030	1.6
249.12715	32.7
250.13147	1.4
252.11403	2.0
261.12140	0.7
265.12128	2.0
267.13779	49.4
268.14114	2.2
283.13220	0.9
285.14825	100.0
286.15137	3.1
326.40448	0.6
345.62064	0.6
532.10425	1.0
573.20673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.7
57.03435	1.8
61.02915	0.6
63.06790	0.3
65.03914	0.5
65.86293	0.3
65.90020	0.3
67.05505	2.7
69.03423	0.8
71.01339	0.4
71.04988	0.5
71.23486	0.5
83.04974	43.0
84.05289	0.5
85.02897	100.0
86.03230	0.8
87.04467	1.0
89.03924	0.7
91.05434	0.4
97.02905	0.5
101.06020	0.7
105.07043	0.4
107.32124	0.3
109.93806	0.3
111.04434	22.9
112.04718	0.4
117.03374	2.3
127.03901	5.5
129.05467	13.0
145.02837	5.8
149.05943	0.7
151.07558	0.5
163.03867	0.4
171.06509	85.5
172.06873	1.6
177.05453	18.6
178.05798	0.4
189.07561	44.4
190.07870	0.9
191.14207	0.3
197.01068	0.3
277.10788	0.4
325.03845	0.3
339.10507	0.9
354.03616	0.5
459.94101	0.3
505.07602	0.3
506.08145	0.9
509.15881	0.4
550.06812	0.5
712.31781	1.1
713.31866	0.5
714.72894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06546	3.7
54.38116	3.4
55.01875	15.7
55.05507	22.9
57.03428	17.5
57.07067	3.8
58.20070	3.0
61.95014	3.0
63.92973	3.7
67.05163	4.6
67.05499	70.8
69.07062	23.4
70.67812	6.3
71.04976	4.5
75.51405	3.5
79.05490	60.5
80.65250	3.0
81.07061	52.4
83.04968	33.6
83.08614	14.1
85.06530	8.3
91.05474	27.2
93.07041	75.0
95.04959	8.2
95.08600	45.6
95.51487	3.1
97.06530	12.9
97.10177	4.7
103.01569	3.4
105.07013	18.0
107.08582	47.0
109.10167	18.0
109.10802	3.2
111.08072	6.2
117.06997	7.2
119.07686	3.6
119.08592	11.6
121.10117	26.2
123.11666	4.3
131.08578	11.2
133.09117	3.5
133.10126	11.1
135.08029	4.3
135.11688	55.2
135.12668	6.1
145.10120	14.7
147.11693	5.2
149.13272	4.3
153.12746	22.5
159.11702	4.0
163.11118	7.6
163.14752	3.7
173.13304	4.5
181.12231	21.5
201.13019	3.4
221.58446	3.1
227.12819	3.7
255.15891	100.0
256.16141	3.9
261.22162	8.7
335.25775	86.8
359.75259	3.3
479.81564	4.0
495.03070	3.8
515.37262	72.8
516.37659	5.3
533.38678	4.2
579.53766	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	712.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.2
55.05512	16.3
57.03436	13.7
57.07071	2.0
59.04983	1.9
59.11739	1.8
65.03915	2.6
65.25438	2.0
67.05162	3.6
67.05502	53.7
69.07061	16.3
70.66447	2.0
71.04990	3.3
79.05492	38.3
81.07051	43.2
83.04976	19.2
83.08619	8.3
85.06525	3.0
91.05478	17.2
93.07040	55.7
95.04945	6.2
95.08602	37.5
97.06532	13.7
97.10164	4.9
98.67923	1.9
99.08077	3.0
105.04488	2.2
105.07014	8.7
107.08593	30.2
109.10152	15.2
111.08074	5.7
117.07024	6.4
119.08564	8.9
121.10141	18.1
123.11712	4.8
124.84208	2.2
125.09637	3.9
131.08560	5.8
133.10118	8.0
135.08055	2.2
135.11687	38.5
138.31424	1.8
143.08577	2.4
145.10139	6.4
147.11658	4.3
149.13245	2.4
153.12721	13.4
159.11714	4.2
160.41649	2.1
163.11172	5.9
166.14905	2.0
175.14798	2.6
177.16330	2.1
177.96327	1.9
179.30701	2.0
181.12233	13.2
189.11276	2.5
227.12706	2.5
231.81206	1.9
243.20988	2.3
255.15912	66.6
261.22147	9.0
261.24603	2.1
291.23010	2.6
317.24759	3.2
335.25793	100.0
336.26059	4.1
356.80798	2.1
478.76480	2.2
515.29565	3.8
515.37305	77.9
516.37640	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	713.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48369	1.6
64.35683	1.5
69.36311	7.8
72.40375	1.9
316.35547	1.7
317.06232	3.5
317.62921	1.8
401.15640	3.3
409.39200	1.7
441.18793	3.4
500.20227	4.1
501.17365	3.6
510.91812	2.1
513.21039	2.4
557.23456	6.3
569.27478	4.4
583.28503	2.2
606.68408	2.0
612.29065	25.2
641.29260	100.0
642.29144	7.3
644.27216	4.2
670.15778	1.9
713.19440	3.4
713.31042	35.2
714.31848	2.1
721.80334	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59809	0.8
69.15530	4.9
88.83490	0.7
98.23444	1.2
106.57321	0.7
107.76924	0.8
123.14215	0.7
163.03931	1.2
173.24414	0.8
305.17044	0.8
335.62827	0.7
469.18445	1.1
612.28821	1.4
612.65930	0.9
641.29486	6.8
713.35016	100.0
714.35352	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	713.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.4
61.02907	4.8
63.43479	0.8
67.05498	3.6
69.03423	4.3
71.04979	3.5
72.47266	1.0
73.02903	3.4
79.05493	2.9
81.03409	2.5
81.07051	5.2
81.68750	1.0
83.04977	1.4
83.08627	1.9
85.02894	5.4
85.06547	0.9
91.03941	2.2
91.05476	5.2
93.07040	3.5
95.04946	1.9
95.08601	1.0
97.02888	3.9
101.02372	1.3
105.07021	3.3
109.02879	1.8
109.10179	1.1
119.08553	1.8
123.11657	1.1
127.03887	2.5
131.08562	1.4
133.10133	3.2
137.05988	1.4
145.04935	1.1
151.11168	1.2
163.03926	1.0
193.12227	0.9
206.38116	0.9
215.11086	0.9
223.47591	0.9
237.45586	1.1
243.08356	2.7
267.15564	1.8
273.06946	0.9
284.10114	0.9
445.95013	1.0
469.20346	6.5
485.23508	6.5
496.11664	1.1
501.23047	1.2
615.99335	1.1
641.30182	1.2
676.16272	1.2
713.37335	100.0
714.37598	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	713.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05795	0.5
54.54845	0.5
54.66732	0.5
55.01852	0.6
55.05511	1.2
55.39412	0.5
56.59718	0.5
57.03439	1.1
59.05012	0.6
59.66080	0.5
59.97977	0.5
61.02923	4.7
67.05491	4.4
69.03423	2.7
69.07059	1.1
71.04999	1.6
73.02922	3.0
75.11359	0.5
75.79037	0.5
79.05489	2.8
81.03416	4.1
81.07045	5.7
81.07437	0.6
81.96515	0.5
83.08616	1.1
85.02913	3.6
85.06539	0.6
91.03985	2.5
91.05505	2.0
91.80194	0.6
93.07030	3.3
95.04975	1.9
95.08617	1.6
97.02880	3.8
97.06535	1.3
98.22697	1.3
99.04468	0.9
101.02390	1.4
105.07057	1.5
107.08622	2.0
109.02923	0.8
109.06586	0.6
111.06196	0.5
111.08151	0.6
115.03996	0.6
117.07021	0.6
119.08639	1.3
121.10172	2.4
127.03965	1.1
129.07074	0.7
129.47981	0.5
131.08585	0.8
133.10164	1.1
135.11716	0.7
145.04990	0.6
147.11725	1.7
149.09663	2.0
149.13268	1.0
157.10233	0.8
163.03970	0.5
166.33420	0.6
175.11354	0.7
193.12334	1.7
197.46001	0.5
200.20773	0.5
206.88376	0.7
212.46382	0.5
232.31819	0.5
235.13112	1.1
243.08563	1.8
267.15839	0.9
283.15018	3.1
339.17865	0.7
407.27225	0.6
432.33875	0.7
453.20889	7.5
453.25720	0.7
454.21643	0.6
469.20410	1.0
485.23331	0.8
501.23041	11.4
551.31866	0.7
628.62457	0.6
673.36169	0.6
673.48163	0.5
713.37280	100.0
714.37646	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	714.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09952	0.6
57.03444	1.0
57.17486	0.4
61.02911	1.1
61.66399	0.5
67.05505	0.6
69.03418	4.5
69.22650	1.7
69.23056	1.3
73.02908	0.8
79.05476	1.0
80.05003	0.7
81.03419	1.9
85.02888	5.2
87.04453	0.8
91.05452	1.0
93.05768	0.6
93.07047	1.1
94.06567	3.1
95.04966	0.6
95.07332	1.4
96.08112	2.8
97.02868	2.5
98.22720	1.2
99.04474	0.6
105.07028	0.7
106.06543	1.9
107.07344	1.7
108.08114	6.4
109.02853	0.8
109.84797	0.5
110.09656	6.7
111.04441	0.5
118.06531	0.7
120.04453	3.1
120.08101	7.2
122.06021	7.0
122.09666	3.2
124.07626	1.4
127.03918	1.3
132.08093	0.9
134.09619	0.6
136.07570	9.6
137.08408	0.6
138.05490	0.9
138.09114	9.3
139.03886	0.6
145.02895	0.6
146.06042	1.6
148.07567	5.6
150.05527	0.8
150.09109	6.1
150.10094	0.6
152.07082	2.0
160.07637	0.7
163.03871	0.7
164.07097	1.7
166.08618	19.3
172.03978	0.6
174.09218	0.5
176.10716	0.7
177.05501	1.1
178.08629	0.5
180.10168	0.7
181.04950	0.5
184.09959	0.9
190.04997	1.2
190.37740	0.5
192.06590	0.7
194.08163	1.2
196.09900	0.7
197.10783	1.4
209.10797	1.4
210.11440	0.8
211.08748	0.5
211.12360	1.2
212.09520	1.0
213.10278	0.7
221.10791	1.0
222.11412	0.6
223.08662	1.9
223.12364	1.4
224.09489	1.8
225.10181	4.7
226.10945	1.2
227.11823	1.9
233.10828	0.8
234.11539	0.6
235.08649	2.7
235.12289	1.0
236.09357	2.5
237.10201	11.4
238.10866	3.0
239.08139	1.9
239.11725	5.1
240.12485	0.6
241.09752	1.0
245.12822	0.6
248.09448	2.1
249.10188	9.5
250.07089	0.6
250.10941	4.3
251.08118	4.3
251.11761	10.5
251.14201	0.9
252.08955	0.8
252.12512	2.5
253.09764	7.0
253.13448	1.1
254.10597	1.4
255.11234	4.2
261.10208	7.0
262.10965	2.8
263.07959	1.0
263.08829	0.9
263.11774	7.7
264.04367	0.9
264.08917	1.5
264.12170	0.6
265.09686	15.3
265.13010	1.0
266.10419	3.1
267.11246	8.4
268.12061	1.4
269.09195	0.6
269.12875	0.8
271.10779	2.3
273.12402	1.3
276.08804	1.2
277.09677	5.5
278.06717	1.4
278.10538	6.6
279.07840	2.8
279.11218	21.3
280.08887	0.8
280.11984	3.4
281.09283	3.1
281.12900	2.6
282.09958	1.9
283.10742	8.1
284.11508	1.2
285.12366	1.9
287.13980	0.9
289.09674	13.6
290.10394	1.3
291.11234	6.4
292.08536	0.5
292.11853	1.0
293.09256	5.4
293.12891	5.9
294.10031	4.3
294.13147	1.0
295.10809	5.1
295.14026	1.0
296.11465	4.7
297.09024	0.9
297.12344	4.1
298.09518	0.6
298.13010	0.5
299.10300	1.9
306.09802	2.3
307.10745	5.1
308.11557	1.9
309.08859	0.9
309.12360	5.9
310.13065	0.8
311.10303	6.6
311.13940	3.1
312.11072	3.8
313.11716	3.8
314.12683	1.9
317.09183	1.8
319.10928	0.7
321.08701	0.8
321.12314	1.1
323.10275	1.8
323.14001	3.3
324.11044	3.6
325.11786	5.0
326.12573	4.5
327.13354	7.3
328.14197	1.0
329.15082	0.8
335.10208	19.6
336.02557	1.1
336.10809	1.9
337.03101	0.6
337.11768	3.7
339.09784	2.0
339.13351	49.8
340.10483	4.6
340.14069	2.1
341.11307	5.5
341.14938	0.8
342.15939	1.1
343.13251	0.6
344.17441	0.7
349.11642	0.9
351.10056	0.7
352.10663	2.0
353.11285	10.0
353.15262	1.0
354.12027	6.3
354.15942	0.7
355.12842	20.5
356.13812	1.4
358.15448	0.6
367.12839	44.8
368.13351	2.2
370.15271	0.7
371.12283	0.6
372.17130	1.2
384.16986	0.7
386.14801	0.9
399.15732	0.9
400.16904	0.9
402.18430	0.7
418.17163	0.6
428.15829	0.6
432.19290	1.3
442.17773	1.1
444.19299	1.5
460.18945	5.0
461.19666	0.7
470.16895	1.3
472.18472	1.1
474.20419	1.4
478.19479	2.3
479.20303	0.8
488.18127	30.1
489.18430	2.1
492.21268	1.7
502.19849	1.4
506.19174	18.8
507.19742	1.4
520.20734	33.2
521.21411	2.6
534.18365	2.6
548.20380	0.8
586.21698	0.6
604.22620	0.6
614.21326	0.6
622.23804	2.0
632.22522	1.4
650.23303	14.6
651.23645	1.4
654.26587	1.0
664.25000	2.6
682.25934	100.0
683.26263	7.8
714.28284	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80610	0.2
53.03927	0.4
55.01834	0.5
55.05479	0.2
57.03390	0.9
61.02931	1.2
65.03905	0.5
67.05471	0.5
69.03422	4.8
71.04952	0.5
73.02857	0.9
74.24023	0.2
77.03883	0.2
79.05488	1.3
80.04948	0.7
81.03409	2.2
81.05762	0.2
81.07009	0.6
82.06546	0.3
83.01283	0.2
85.02893	5.4
85.03381	0.3
87.04463	1.0
89.03861	0.2
91.03922	0.2
91.05492	1.0
93.05720	0.8
93.07036	1.8
94.06559	4.2
95.04914	0.6
95.07362	1.6
95.08553	0.4
96.08121	3.5
97.02881	2.3
97.06491	0.2
98.23434	0.5
99.04421	0.5
101.02342	0.3
103.05402	0.8
105.06984	0.4
106.06503	0.7
107.07328	1.7
108.04410	0.6
108.08105	8.0
109.02821	0.8
109.08849	0.3
110.05998	0.5
110.09668	5.4
116.04929	0.2
117.03345	0.3
118.06489	0.6
119.04867	0.2
120.03682	0.2
120.04446	2.7
120.08090	7.0
121.06479	0.4
122.06019	7.5
122.09650	4.9
123.06752	0.4
124.07631	0.9
124.08308	0.2
125.95247	0.2
127.03843	0.9
131.03331	0.2
132.08032	1.0
133.10066	0.6
134.05936	0.6
134.09581	0.3
135.06744	0.4
136.07558	11.7
137.08228	0.8
138.05417	0.9
138.09126	10.1
144.04417	0.2
145.02824	1.0
145.04918	0.4
145.08748	0.2
146.05969	1.7
146.09579	0.2
147.04326	0.7
147.06816	0.2
148.07545	6.2
150.05440	0.9
150.09123	6.7
150.10364	0.3
151.06136	0.2
152.07050	2.1
152.10680	0.2
158.05931	0.2
158.09482	0.2
160.03827	0.4
160.07458	0.5
162.09087	0.6
163.03885	0.6
164.07034	2.0
164.10617	0.4
166.08617	21.8
167.08957	0.3
168.10143	0.5
172.04013	1.1
172.05232	0.3
174.05397	0.5
174.09064	0.3
176.10716	1.1
177.05458	2.8
177.07765	0.2
178.08620	0.4
180.06589	0.2
180.10132	1.2
182.08192	0.3
182.09532	0.3
182.11797	0.4
183.08984	0.3
184.09879	0.6
185.10649	0.4
186.05424	0.3
186.09142	0.3
190.04897	0.9
192.06461	0.6
194.08110	2.2
194.09668	0.2
196.09813	0.8
197.10739	1.6
198.11427	0.5
199.12282	0.8
204.06458	0.5
206.08084	0.5
207.09186	0.4
208.09735	0.6
209.10748	1.4
210.09103	0.3
210.11334	0.6
211.08607	0.9
211.12173	1.3
212.09380	1.5
212.12686	0.3
213.10132	1.0
213.13861	0.3
214.04938	0.3
218.08113	0.5
219.09082	0.4
220.09857	0.7
221.10678	1.3
222.07794	0.4
222.11415	0.7
223.08667	1.8
223.12204	1.7
224.09283	1.6
224.12946	0.5
225.10179	4.9
226.10947	1.5
227.11731	2.6
232.09868	0.2
233.10707	1.8
234.11420	0.6
235.08630	3.1
235.12271	1.3
236.09340	1.9
237.10191	12.8
238.07172	0.3
238.10916	3.2
239.08215	1.4
239.11732	5.6
240.08772	0.3
240.12381	0.6
241.09683	1.6
241.13300	0.5
243.11342	0.2
245.12772	0.6
246.07742	0.5
247.08586	0.8
247.12267	0.4
248.09402	2.9
249.10182	10.2
250.06934	0.2
250.10968	4.1
251.08102	3.5
251.11723	11.3
252.08887	1.2
252.12474	3.1
253.09680	8.2
253.13126	0.8
254.10295	1.2
255.11250	4.1
257.12546	0.3
259.14517	0.3
261.10190	6.8
262.10971	2.8
263.08121	1.0
263.11749	8.0
264.09033	1.3
264.12326	1.0
265.09683	15.8
265.13177	1.5
266.10379	3.2
266.13660	0.3
267.07288	0.4
267.07965	0.3
267.11224	9.8
267.14554	0.6
268.08572	0.4
268.11908	0.9
269.09103	1.1
269.12759	1.1
269.21008	0.3
271.10727	2.2
273.09811	0.3
273.12338	0.8
274.07169	0.3
275.08060	0.6
275.11795	0.3
276.08951	1.1
277.09686	4.6
278.06647	0.9
278.10452	6.8
279.07657	3.3
279.11206	20.7
280.08350	0.9
280.11877	4.3
281.09152	3.6
281.12756	2.8
282.09949	1.6
282.13373	0.6
283.07568	0.4
283.10748	8.6
283.14120	0.7
284.11337	0.6
285.12292	1.7
287.13892	1.3
289.09659	15.0
290.10324	1.7
291.07788	0.5
291.11206	5.5
292.08328	0.6
292.11850	1.1
293.09137	6.6
293.12762	6.5
294.09885	4.8
294.13501	1.1
295.10800	5.6
295.14291	0.7
296.11502	3.8
297.08664	1.1
297.12265	3.5
298.09564	0.5
298.12842	1.1
299.10287	2.1
299.13559	0.5
300.10785	0.3
301.12271	0.2
303.07867	0.2
303.11029	0.3
304.08621	0.4
305.09143	0.7
305.12491	0.3
306.09854	1.7
307.10696	5.3
308.11456	2.0
309.08704	0.6
309.12216	6.0
310.12994	1.3
311.10162	7.4
311.13855	3.6
312.10986	4.5
313.11780	3.6
313.15283	0.3
314.12610	1.3
314.15948	0.3
315.13232	0.8
316.14304	0.4
317.09137	1.8
319.07047	0.3
319.10681	0.6
321.08606	1.0
321.11740	1.1
322.09412	0.4
323.10156	2.5
323.13864	3.3
324.11020	3.4
325.11755	5.3
326.12567	4.5
326.16370	0.3
327.13364	7.7
328.14090	0.9
329.15070	0.8
330.15775	0.6
335.10208	19.5
336.10660	1.4
337.08063	0.3
337.11737	3.5
338.12363	0.4
339.10394	2.4
339.13354	53.2
340.10406	4.3
340.13834	2.3
341.11224	5.6
341.15021	1.4
342.11853	0.7
342.15906	0.8
343.13065	0.3
343.16769	0.3
344.13620	0.6
344.17688	0.6
349.11588	0.6
351.09824	0.5
352.10474	1.9
352.14368	0.3
353.11261	15.0
354.12003	6.4
354.15930	0.4
355.12842	18.7
356.13336	1.2
356.17465	0.5
357.14462	0.5
358.15384	0.6
366.12091	0.5
367.12833	43.0
368.13293	2.4
370.15411	1.0
371.12051	0.3
371.16245	0.3
372.16965	0.9
374.14536	0.3
374.18808	0.3
376.16425	0.5
381.14615	0.5
382.15433	0.5
383.16299	0.5
384.17017	0.5
385.13782	0.3
386.14716	0.6
386.19049	0.3
387.15817	0.5
388.16345	0.5
390.18015	0.5
396.17099	0.4
399.15558	0.8
400.16498	0.9
402.18042	0.7
404.15680	0.3
404.20142	0.3
414.18158	0.7
416.19885	0.6
418.17523	0.8
420.19427	0.3
428.16089	0.3
428.96539	0.2
429.16574	0.4
432.19098	1.9
436.18695	0.3
442.17432	1.3
444.19302	0.7
447.17484	0.5
450.20111	0.3
459.17825	0.4
460.18607	4.8
461.19250	0.8
470.16986	0.9
472.18719	1.2
474.20462	1.4
478.19785	1.8
479.20505	1.1
488.18103	29.2
489.18375	2.0
490.19574	0.9
492.21280	2.0
497.15317	0.3
499.16739	0.3
502.19614	1.5
506.19165	19.5
507.19418	1.6
517.18005	0.6
520.20728	23.4
521.20691	1.6
529.18359	0.3
534.18500	1.7
548.20447	1.2
552.23138	0.8
553.25073	0.2
586.21326	0.4
604.22437	0.4
614.20929	0.5
622.23743	1.9
623.24731	0.3
632.21918	1.4
638.26764	0.4
650.23364	14.9
651.23615	1.0
654.26672	1.7
664.24493	0.9
682.25940	100.0
683.26245	9.2
714.28497	2.9
715.29181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
58.56359	0.4
60.45737	0.4
61.02923	0.8
61.52845	0.4
67.85162	0.4
69.03429	4.2
70.67844	1.0
73.02930	0.7
79.05492	1.0
80.44789	0.5
81.03422	0.9
85.02914	3.5
87.04461	0.7
93.07043	1.1
94.06573	2.5
95.07352	1.0
96.08137	1.8
97.02325	0.4
97.02909	1.3
106.06548	0.6
107.07333	1.5
108.08122	5.3
109.02930	0.5
109.08958	0.5
110.06052	0.8
110.09678	4.0
120.04464	1.5
120.08090	4.0
122.06028	2.7
122.09664	3.0
124.07597	1.1
124.28622	0.5
127.03858	0.5
132.08080	0.8
134.05984	0.7
136.07558	7.1
137.08385	0.8
138.09128	6.7
145.02823	0.5
146.06015	0.8
148.07584	4.0
150.05547	0.5
150.09111	4.9
152.07040	3.1
152.10699	0.5
162.05544	0.6
162.09193	0.9
164.07112	1.7
166.08629	14.7
168.10248	0.7
172.03946	2.0
177.05406	2.4
178.08655	0.8
180.06537	0.4
180.10191	1.6
182.11752	0.6
183.09108	0.4
185.10727	0.5
190.04980	1.1
194.08218	1.7
195.09163	0.5
197.10831	1.2
198.11511	0.6
204.06523	2.9
209.10796	0.7
210.09328	0.5
210.11261	0.6
211.08635	0.8
211.12332	1.2
212.09444	1.0
213.10249	0.7
220.09853	0.8
223.08701	1.3
223.12344	1.0
224.09512	1.1
225.10176	2.9
226.10976	0.9
227.11768	1.3
233.10985	0.6
235.08696	1.6
236.09474	1.8
237.10214	6.8
238.11031	1.6
239.08168	1.8
239.11803	2.8
240.08627	0.5
241.09874	0.7
241.13493	0.6
248.09398	1.5
249.10237	5.8
250.10959	2.8
251.08138	2.6
251.11789	6.9
252.08955	1.1
252.12614	1.4
253.09676	5.2
253.13562	0.5
254.10565	1.1
255.11278	2.5
261.10175	2.6
262.10986	0.7
263.08887	0.8
263.11853	4.0
264.09247	0.6
264.12601	0.6
265.09692	9.9
265.13086	0.8
266.10434	1.8
267.11264	5.1
268.11847	0.7
269.13074	0.8
271.10864	2.0
273.12500	0.7
277.09793	2.9
277.13840	0.5
278.10468	4.5
279.07770	2.8
279.11365	11.2
279.14047	0.6
280.08850	0.5
280.11877	2.5
281.09286	2.6
281.12881	2.1
282.09885	1.1
283.10794	4.8
284.11581	0.6
285.12399	1.5
287.13876	2.9
289.09674	5.3
290.10367	0.8
291.11292	2.8
292.12042	0.8
293.09296	3.8
293.12943	4.5
294.09854	2.2
295.10886	3.7
295.14038	0.6
296.11523	2.3
297.09036	0.8
297.12411	3.2
299.10400	1.8
299.13702	0.7
301.11929	0.5
306.09814	1.3
307.10608	3.0
308.11453	1.0
309.12213	3.0
311.10333	5.7
311.13928	1.4
312.11011	2.7
313.11789	4.1
314.12744	2.0
315.13571	0.6
317.09384	0.6
319.10641	0.6
321.08514	0.6
323.10330	1.2
323.14001	1.9
324.10907	2.7
325.11819	5.2
326.12549	3.5
327.13416	9.0
328.14056	0.5
335.10242	9.3
335.14188	0.3
336.10928	0.7
337.11945	1.9
338.12698	0.5
339.13367	42.8
340.10532	1.6
340.13980	1.9
341.11313	1.7
341.15140	0.7
342.16345	0.7
344.14090	0.8
352.10629	1.1
353.11282	4.2
354.12061	3.0
355.12860	11.1
355.16968	0.8
356.13516	1.1
357.14566	1.8
367.12848	18.5
368.13367	1.3
369.14575	0.8
371.12384	1.6
371.16187	1.9
372.13132	0.9
376.16693	0.5
385.13992	1.5
386.14587	2.4
387.15543	2.6
388.16360	0.6
399.15463	8.0
400.16568	1.4
402.18311	0.5
416.34207	0.5
418.17413	0.7
428.15933	0.9
432.19312	1.1
436.18829	0.6
452.21918	0.7
460.18588	2.6
464.32123	0.4
470.16974	1.0
474.20654	1.0
478.19882	1.1
479.20688	1.1
488.18237	4.4
492.21136	2.1
502.19824	0.9
506.19122	3.8
520.20703	8.8
534.22333	0.7
538.21704	0.8
552.23352	34.0
553.23511	2.1
621.88831	0.6
650.23334	1.3
682.26038	12.1
683.26074	0.8
698.73523	0.5
714.28601	100.0
715.29138	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	714.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.3
55.05501	6.5
56.50972	2.4
66.81999	2.4
67.05502	7.7
69.03429	13.7
69.07063	22.8
70.51313	4.9
71.04996	6.3
76.71218	2.5
79.05502	15.5
81.03400	8.9
81.07049	9.1
83.04974	56.1
85.02901	9.5
91.05473	12.4
93.07037	11.3
95.04945	18.1
95.08607	4.9
97.02877	6.4
97.06528	45.4
99.04433	16.9
101.05981	3.1
101.33697	2.6
103.05475	3.2
105.07022	50.7
107.04946	6.2
107.08572	16.1
109.02867	7.5
109.06496	13.4
109.18053	2.4
111.04426	3.4
111.08086	3.3
117.07022	8.3
119.04934	4.3
119.08564	7.7
121.06507	34.2
121.10096	3.9
122.07107	8.1
125.05983	100.0
127.03898	4.9
129.06985	5.0
130.07744	3.4
131.08572	16.1
133.06496	7.5
133.10124	4.6
135.04468	6.0
135.08092	3.1
135.11716	4.0
137.05951	8.9
139.03893	3.9
141.06966	3.0
143.07022	93.1
143.08537	7.1
144.09294	3.5
145.06436	9.6
145.10115	82.3
147.08014	3.8
147.11638	3.4
151.07532	13.0
153.05415	2.7
158.07211	8.0
159.08075	7.1
159.11649	33.6
161.09526	4.6
163.03874	5.2
163.07550	3.6
163.11185	26.2
169.10132	9.4
171.08052	3.4
171.11714	3.6
172.08905	3.9
173.09598	76.8
177.05440	3.3
177.12708	14.7
179.08583	3.4
187.11163	60.6
189.12744	5.4
191.10640	28.9
197.09653	12.7
205.12236	68.8
205.14084	5.2
209.11671	16.9
215.10652	65.6
233.11707	90.2
234.12106	3.7
251.12749	50.9
269.13895	10.7
284.43823	3.0
359.14905	7.5
377.15955	20.0
388.86044	2.8
395.17130	14.4
396.50769	2.6
413.17932	53.8
414.18134	3.7
575.22961	4.3
590.34186	3.5
677.77307	3.0
712.93146	3.4
714.31067	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	714.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	22.3
57.03421	19.7
57.07049	6.6
58.62228	4.3
60.98927	4.4
67.05495	74.7
68.10516	4.3
68.43142	4.3
69.07063	29.6
69.18102	30.1
70.36189	4.1
71.69683	4.1
77.57581	4.1
79.05484	63.2
79.83853	4.2
81.07043	100.0
83.08603	13.3
85.06538	8.5
86.09708	24.1
90.52100	4.1
91.05476	46.2
93.07029	47.3
95.08592	53.6
97.18912	4.6
105.07023	49.4
107.08559	30.6
109.10138	26.0
113.91828	4.9
117.07015	12.5
119.08566	39.6
121.10105	29.8
123.11687	7.9
124.99966	16.0
125.09587	4.9
131.08533	21.6
133.10117	18.6
135.11687	13.0
143.08585	6.6
145.10117	20.3
147.11620	27.9
149.13272	14.4
157.10190	9.8
159.11646	12.3
161.13330	8.0
163.14806	5.8
165.12738	12.6
171.11624	6.9
173.13235	7.1
175.14928	8.6
184.07321	61.9
187.14932	5.2
201.16444	7.8
204.17500	4.8
229.14296	5.8
239.16382	24.0
241.18059	9.5
259.20410	7.5
335.25732	42.5
348.75330	4.7
407.33093	6.0
425.34055	14.2
443.35309	9.9
488.49286	5.0
489.35193	6.0
499.37866	32.0
517.38837	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28714	0.8
65.03941	8.0
66.04710	0.8
67.05484	1.2
68.99786	6.6
70.09596	1.8
70.09930	1.0
77.02124	0.8
79.05480	2.3
81.03408	4.4
83.04985	1.2
89.03960	1.0
90.05149	0.7
91.05492	4.2
93.03398	7.8
94.04175	1.9
95.04993	5.2
97.02883	2.9
104.17032	0.9
105.03409	1.2
107.01318	1.0
107.04939	9.1
109.02879	4.5
111.04440	27.4
117.03390	1.4
119.04894	1.9
121.02860	18.8
122.03657	9.0
123.04423	19.4
125.02362	1.2
129.07013	0.9
133.02853	5.1
135.04410	23.1
137.02357	10.7
137.03403	1.6
137.06007	1.4
139.03891	45.0
141.06982	1.4
147.04466	1.1
149.02335	57.6
150.03123	14.7
151.03896	13.9
152.06209	1.4
153.02048	0.7
153.05420	0.9
153.06981	1.9
161.05798	0.7
163.03911	11.0
163.05367	1.5
165.06976	8.4
167.03397	6.3
169.06468	2.1
175.03951	0.9
175.82324	0.8
177.01822	17.8
178.02608	9.7
178.05019	0.9
179.03378	3.4
179.04857	0.9
181.04974	26.6
181.06509	4.8
185.05913	1.4
187.03957	2.0
188.80261	0.9
189.05516	1.1
191.04965	3.1
192.05690	2.0
193.06483	5.5
195.02882	100.0
196.03613	7.2
197.04443	5.4
197.06038	2.9
198.05208	1.7
199.07520	1.4
203.03262	1.7
203.05008	1.1
205.06505	2.9
209.05914	4.9
210.06729	2.9
211.07562	3.3
213.01797	2.4
213.05362	3.9
215.07022	1.0
219.04366	2.7
220.05138	3.3
221.05962	24.2
221.08069	1.4
223.03976	0.9
223.07542	3.8
225.05457	8.1
227.07005	2.8
229.05025	1.4
231.02917	2.5
233.05994	3.0
237.05438	7.6
238.06332	3.5
239.06938	7.2
241.04967	2.5
242.05681	1.3
243.06538	1.0
245.04436	1.7
247.03860	1.7
248.04607	1.0
249.05463	27.2
250.06198	3.3
251.06924	3.9
252.04179	1.8
253.04985	5.3
255.06424	8.4
259.03693	1.1
259.06009	5.2
261.05664	1.2
263.07077	1.3
265.04913	5.6
266.05682	5.2
267.06427	12.9
269.04440	14.7
270.04706	1.1
271.05774	1.5
275.03366	2.6
276.04068	1.6
277.04935	19.4
278.05579	2.4
279.06570	3.2
281.04523	5.5
283.06104	2.8
285.07584	1.7
287.05438	1.6
287.10736	1.1
291.06570	0.9
293.04407	2.6
294.02496	0.6
294.05185	35.3
295.05984	60.2
296.06415	3.6
297.03973	1.0
297.07523	1.0
301.06937	2.1
303.02515	1.3
305.04413	2.2
307.05948	1.7
311.05573	2.6
313.06955	4.6
321.03979	10.6
322.04648	8.9
323.05481	56.4
324.05835	2.7
325.07584	1.5
329.06418	17.5
331.09641	1.3
339.05139	1.5
341.06650	3.4
342.09018	1.6
343.09628	2.9
345.07556	1.7
347.07654	15.2
353.08133	2.2
357.07672	4.7
359.09058	2.3
360.09537	1.1
365.06653	0.9
371.08987	5.1
373.07016	1.7
373.11185	1.1
374.07758	2.8
375.07141	2.4
381.07510	2.8
383.09241	1.4
388.09622	1.5
389.10367	2.3
393.08234	5.1
399.08585	3.4
403.08215	1.4
415.08008	1.3
417.09558	2.3
427.08075	3.4
435.11063	1.8
445.09143	4.9
461.08176	1.0
463.10223	17.4
471.07303	1.3
489.07718	1.1
491.09698	23.5
492.10080	1.2
493.11182	1.9
519.09161	1.6
520.09680	3.0
521.10730	6.4
669.12341	1.6
687.13965	1.6
715.11902	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51261	0.8
65.03935	9.9
67.05470	0.9
67.12859	0.9
68.99786	6.5
70.12894	0.8
70.82087	0.9
75.22591	0.8
79.01867	2.2
79.05477	1.3
81.03419	5.1
83.05007	1.1
89.03921	1.5
91.05476	4.1
93.03393	7.9
94.04187	2.5
95.04955	6.4
97.02891	3.2
107.01300	1.3
107.04955	9.5
108.02075	1.3
109.02862	5.7
111.04430	29.8
111.05168	1.6
115.05521	0.8
119.04938	1.7
121.02850	18.0
122.03638	8.0
123.04431	21.0
133.02838	6.1
135.04395	22.7
135.05351	1.5
137.02328	12.0
137.03346	1.2
137.05948	1.7
139.03889	45.2
140.04286	1.2
141.06990	1.3
147.04474	1.5
149.02328	51.9
150.03113	15.9
151.03880	16.4
153.05455	1.4
153.07079	1.5
159.04436	1.7
159.45915	0.9
161.02205	1.5
163.03889	11.3
163.05244	1.1
165.06958	7.9
167.03380	6.7
169.06461	1.5
177.01831	17.2
177.07097	1.1
178.02612	11.9
179.03371	4.4
181.04965	28.1
181.06494	5.3
183.08174	1.2
184.05219	1.2
185.05907	1.2
187.03883	2.5
191.03331	1.3
191.04932	2.7
192.05711	2.0
193.06502	5.4
195.02869	100.0
196.03650	8.3
197.04411	6.1
197.06001	3.6
198.05212	1.1
200.44429	1.1
203.03337	2.0
205.06534	2.9
209.05946	4.9
210.06703	2.5
210.79419	0.8
211.07487	4.5
213.01871	3.4
213.05513	3.2
215.07033	1.3
219.04431	3.2
220.05206	3.8
221.05931	24.5
222.06520	1.6
223.04088	1.2
223.07512	3.8
225.05453	7.0
227.06992	2.7
229.04984	1.2
231.02945	3.1
233.05966	2.9
234.06770	0.9
237.05379	7.0
238.06184	3.0
239.06908	8.0
241.04982	2.8
242.05788	1.6
245.04346	1.1
245.09586	1.0
247.03874	1.3
248.04712	1.6
248.38161	0.9
249.05450	31.7
250.06082	3.2
251.06956	4.4
253.04939	5.0
254.05661	1.4
255.06465	10.0
257.08167	1.2
259.06003	6.2
261.05359	1.2
263.06863	1.5
265.04974	7.5
266.05627	5.1
267.06494	15.9
269.04446	16.9
271.05872	1.4
275.03302	2.9
276.04065	1.8
277.04935	18.7
278.05817	2.2
279.06393	5.5
281.04367	6.4
283.06021	3.7
285.07385	1.2
287.05600	2.9
289.04843	1.1
293.04333	5.8
294.05191	35.4
295.05975	70.7
296.06332	2.5
297.04071	1.4
297.08627	1.4
301.07120	3.3
305.04358	4.1
307.06036	1.4
311.05405	1.9
313.06992	5.6
321.03934	9.3
322.04605	11.1
323.05466	60.1
324.05658	2.4
325.08362	1.4
329.06479	18.0
339.04984	1.1
341.06506	6.2
342.08899	1.5
343.09573	4.2
344.10080	0.9
345.07489	1.2
346.08243	1.0
347.07629	17.9
353.08112	2.3
357.07635	6.8
359.09009	2.5
360.09875	2.5
363.05093	1.3
370.08377	1.0
371.09125	6.0
373.07053	1.5
374.07822	2.2
375.07297	3.1
381.07498	2.6
385.06845	1.2
388.09158	2.1
389.10095	3.0
393.08029	5.0
399.08740	4.8
399.13312	0.9
403.08017	2.6
409.06299	1.3
417.09467	5.3
427.08328	4.5
435.10455	2.1
445.09338	5.2
445.99557	1.0
447.10519	1.0
455.07196	1.4
461.08188	1.4
463.10254	19.7
473.08545	3.1
489.08017	1.1
491.09665	26.8
492.10077	1.2
519.09076	2.4
520.09851	2.2
521.10895	5.2
581.11694	1.0
612.93958	1.0
623.11224	1.6
641.13330	1.1
688.94800	1.0
715.12787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49030	0.4
67.05525	0.4
83.57148	0.4
98.97582	0.9
158.99730	0.6
184.07353	0.6
189.00862	0.5
286.72168	0.5
291.19717	0.5
291.82278	0.5
293.05609	0.6
321.04770	0.6
325.38129	0.5
455.10938	0.6
482.75443	0.5
545.23157	0.5
715.32947	100.0
716.20764	0.7
716.33160	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	715.3296
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
59.32326	0.6
63.66977	0.7
69.86366	1.6
89.41966	0.7
98.15136	0.6
98.23373	0.9
98.97624	0.7
105.99555	0.7
127.43979	0.6
221.55528	0.7
274.26791	0.7
321.05051	1.3
387.64966	0.7
437.19278	1.1
487.08850	0.7
487.74542	0.9
715.32983	100.0
716.33197	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	715.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41442	0.7
79.85627	0.7
89.28605	0.7
123.83736	0.6
170.87930	0.7
185.04259	2.2
197.26237	0.6
201.03726	2.0
203.05309	2.6
231.00977	0.8
259.07993	2.3
317.08643	1.0
319.09961	1.0
329.08292	0.9
331.10077	2.7
347.09464	3.5
363.09018	2.1
365.10513	4.3
373.14539	0.8
391.24677	1.0
415.19336	1.1
421.13309	2.4
437.12772	0.8
483.22003	2.4
493.15417	4.6
507.16946	1.2
553.29822	14.2
554.30139	0.8
563.23596	1.4
577.24731	1.9
602.00964	0.7
645.27203	1.0
653.11090	0.7
684.66473	1.0
715.35040	100.0
716.35272	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	716.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02370	1.2
65.03935	0.3
65.16935	0.3
68.47701	0.3
71.42867	0.3
79.05481	2.2
81.03419	0.4
89.03911	12.9
91.05462	0.5
93.03393	0.4
95.04981	1.5
95.34781	0.3
104.33807	0.3
105.03387	0.5
105.04498	0.3
107.04944	4.1
111.04411	1.5
117.03368	12.9
118.03677	0.3
119.04916	0.6
121.02864	1.0
122.06044	0.6
123.04444	2.4
133.02875	1.7
134.06033	0.6
135.04407	26.8
136.04752	0.7
137.02336	2.1
137.05949	0.4
138.05476	0.4
139.03914	2.1
140.04248	0.3
145.02841	15.9
147.04376	0.4
149.02303	1.1
150.02890	0.4
150.05478	1.2
151.03876	1.3
155.03323	0.4
163.03888	100.0
164.04228	2.0
165.07016	0.4
171.06685	0.3
178.04979	5.1
179.03333	1.1
180.06686	0.4
181.04945	1.5
186.05505	0.7
195.02911	1.1
196.06018	1.0
197.04402	1.2
197.06061	0.6
209.04347	0.5
212.07066	0.7
214.04985	1.0
221.05963	1.3
222.06241	0.5
225.05464	0.7
226.08542	0.4
228.06506	4.1
230.08154	0.4
233.05853	0.4
238.05080	0.5
239.05614	0.7
240.06636	1.1
241.07266	0.6
242.05672	0.8
243.06396	0.9
249.05440	1.7
250.05818	1.0
253.04932	0.6
254.08163	1.1
255.06488	0.6
256.06046	2.0
257.06805	1.1
266.05423	0.4
266.08118	0.7
267.06369	0.8
268.07043	0.4
269.04459	0.4
271.05975	3.2
272.06393	2.2
277.04852	1.0
278.05289	0.6
281.04599	0.4
282.07513	0.7
283.08478	0.5
284.05518	3.4
285.06259	8.6
286.07080	1.0
295.06000	3.8
296.06427	1.3
297.07181	0.4
298.07217	0.7
300.08765	0.8
303.07291	1.4
304.07907	0.3
310.07074	0.8
311.05536	0.4
313.07007	0.5
316.08206	0.5
323.05396	2.9
324.05777	1.3
328.08136	1.1
329.06284	0.4
330.06360	0.3
330.09772	2.5
346.09140	1.3
356.07504	0.6
358.09164	0.7
374.08646	3.7
392.09717	9.4
465.10355	1.2
508.12384	0.5
536.11731	0.5
536.62219	0.4
554.12854	16.3
555.13086	0.7
640.11035	1.6
656.52356	0.4
672.15723	0.4
698.14630	1.8
715.50604	0.5
716.13007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49299	0.2
53.04369	0.2
55.01848	0.4
63.02355	1.2
65.03933	0.7
69.32917	0.3
69.33197	1.3
79.05491	2.3
81.03388	0.3
85.02917	0.3
86.09694	0.2
89.03908	13.7
91.05456	0.7
91.21168	0.2
93.43819	0.2
95.04947	1.0
97.06508	0.2
98.22740	0.3
105.04549	0.5
105.06987	0.4
107.04944	4.5
111.04438	1.5
117.03370	12.4
119.04922	0.5
119.22516	0.2
122.03539	0.3
123.04412	0.5
131.04953	0.5
133.02794	0.3
134.05986	0.6
135.04404	23.5
136.04767	0.4
137.05986	1.0
138.05470	0.4
139.03876	2.1
145.02835	15.6
146.03177	0.3
147.04416	0.7
151.03864	0.8
161.02512	0.3
163.03886	100.0
164.04240	2.0
171.06729	0.2
177.05467	0.3
177.09100	0.8
178.05005	0.3
181.04958	1.3
182.05258	0.2
186.05516	0.5
195.02840	0.3
200.07063	0.3
212.07130	0.5
214.05016	0.9
221.05984	0.3
227.05829	0.3
228.06549	2.4
236.07071	0.3
238.04932	0.7
238.08557	0.3
240.06500	0.6
241.07259	0.4
249.05336	0.4
249.11159	0.4
253.07349	0.3
254.08113	1.0
256.06052	1.0
257.06833	0.9
258.07727	0.3
266.08115	0.5
267.06293	0.4
268.05911	0.5
270.07599	0.5
282.07553	0.5
284.05511	4.0
284.08615	0.2
285.06259	5.2
295.06064	0.7
298.07233	0.4
300.08633	0.5
302.06570	0.9
303.07257	0.9
310.06876	0.3
313.07077	0.4
321.03824	0.3
328.08151	0.9
339.05087	0.4
346.09244	1.6
347.09198	0.3
354.79019	0.3
354.84741	0.2
356.07513	0.5
357.05994	1.8
374.08731	2.1
392.09729	7.7
403.14084	0.3
438.08832	0.2
464.09729	0.4
465.10400	0.7
508.12210	0.4
537.10181	0.4
552.54633	0.3
554.12866	13.6
555.13306	0.4
567.57196	0.3
716.15698	0.6
717.14636	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37922	0.2
63.02362	1.3
68.02202	0.2
68.96481	0.2
69.03426	0.4
70.72285	0.3
77.22755	0.2
79.05482	1.6
81.03400	0.8
82.33437	0.2
83.03933	0.2
83.04987	0.2
85.02906	0.5
89.03912	12.3
91.05462	0.5
95.04969	0.7
97.02878	0.3
107.04958	3.3
108.08086	0.3
109.02877	0.5
117.03374	12.6
118.03675	0.2
120.04407	0.3
122.06044	0.5
123.04420	0.4
131.04842	0.3
132.04405	0.3
133.02800	0.3
134.06036	0.8
135.04408	21.9
136.07628	0.3
138.05553	0.3
138.09167	0.3
139.03830	0.4
144.04425	0.3
145.02837	19.8
146.03104	0.4
146.06084	0.2
147.04417	0.8
149.05983	0.8
150.05487	0.9
162.05487	0.6
163.03891	100.0
164.04211	2.5
166.08604	0.6
172.03964	0.3
177.05455	13.5
178.04967	7.0
181.05037	0.2
186.05452	0.5
195.02794	0.2
195.06607	0.3
196.06068	0.6
199.11201	0.3
208.07846	0.2
212.07152	0.4
214.04932	0.5
215.10770	0.3
226.08575	0.4
228.06531	2.8
229.07381	0.4
233.11676	0.2
236.07037	0.2
238.05067	0.6
239.05740	0.7
240.06505	1.0
241.07352	0.6
251.05557	0.5
252.11813	0.3
254.08217	0.7
256.05969	1.2
256.09149	0.2
257.06833	2.0
265.09427	0.3
266.08081	0.7
267.10989	0.3
279.11133	0.6
280.11520	0.5
282.07458	0.5
284.05579	2.0
285.06284	6.1
286.06891	0.4
292.06152	0.5
298.07291	0.5
300.08572	0.4
302.06497	0.5
303.07285	1.6
310.07074	0.7
321.09628	0.6
327.13354	0.5
328.08273	1.6
336.10388	0.4
339.10513	0.5
340.13812	1.2
341.14310	0.4
346.09210	0.9
354.11758	0.3
356.07669	0.4
356.12656	0.3
358.09018	0.4
367.12848	0.3
368.13269	0.3
369.13303	0.3
374.08734	3.2
392.09723	9.6
393.09958	0.6
464.09656	0.5
465.10504	1.2
508.12357	0.7
522.21478	0.4
536.11584	0.5
552.23444	0.5
553.23395	0.5
554.12915	14.0
554.23163	1.0
555.13312	1.1
684.26221	0.5
715.28613	1.0
716.16669	0.5
716.29132	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	716.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30640	0.6
65.31416	0.7
65.99537	0.7
69.03425	1.4
79.05462	1.1
81.03408	4.3
85.02880	2.1
89.03915	6.2
91.05447	0.7
95.66643	0.7
99.04442	0.8
103.05456	2.5
106.06551	1.4
107.04980	1.3
109.02850	1.1
117.03371	15.3
127.03901	0.9
130.94090	0.8
131.04907	3.8
135.04402	9.8
137.02365	3.7
137.03304	0.8
137.05914	0.8
139.03874	1.9
145.02832	41.7
146.03212	2.0
147.04405	2.5
149.05936	5.2
151.03807	0.9
163.03894	42.0
163.07556	2.9
175.07518	1.6
177.05453	100.0
178.05769	2.8
181.04904	2.2
195.06448	1.1
205.04961	2.0
241.14490	0.7
247.06033	3.2
251.07077	0.9
265.04855	0.8
269.08014	1.2
285.06259	0.9
297.07556	10.3
297.10681	1.3
307.08121	1.3
321.09592	4.6
325.08865	0.9
339.07773	1.9
339.10669	6.5
373.09045	1.2
391.10229	2.9
392.09741	2.0
554.12732	3.4
555.11920	0.8
688.74774	0.9
694.17377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.2
55.39462	0.2
57.03442	0.2
63.02372	0.5
63.87874	0.2
69.03425	0.8
69.07054	0.2
71.43686	0.2
78.04715	0.4
81.03413	4.5
83.08602	0.2
85.02898	1.6
89.03905	5.7
91.05479	0.6
93.07066	0.3
94.04219	0.3
95.04961	0.3
97.02901	0.5
98.22708	0.5
99.04475	0.5
103.05466	0.4
106.04176	0.4
107.04912	0.4
109.02871	1.4
111.04424	0.3
115.05448	0.3
116.02198	0.2
117.03367	17.7
118.03656	0.3
119.04938	0.5
121.10159	0.2
122.03642	0.8
124.05269	0.2
127.03946	0.5
129.07050	0.2
134.03600	1.1
135.04408	2.5
137.05966	9.4
139.03880	0.3
143.04950	0.3
145.02832	50.2
146.03168	0.8
147.04395	0.5
149.05956	6.5
151.03835	0.3
151.07520	0.7
160.05260	0.4
161.05928	0.4
163.03888	6.8
163.07584	0.2
175.07532	2.0
177.05447	100.0
178.05861	2.0
181.06441	0.2
186.05473	0.3
187.07518	0.9
189.09177	0.2
195.06476	1.5
197.84398	0.2
199.07503	1.1
205.08479	0.9
235.09644	0.5
235.20538	0.2
253.21674	0.2
271.22751	0.4
285.06216	0.3
285.11295	0.4
297.11160	0.2
318.09189	0.2
321.09622	4.1
323.12738	0.6
335.12689	0.8
339.10703	6.0
383.14624	0.5
392.09766	0.3
418.13736	0.2
459.17819	0.3
471.17627	0.4
489.18854	0.7
507.19995	0.3
519.19678	0.4
554.12671	0.3
684.26154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
55.90503	0.8
59.80605	0.8
65.03931	3.4
67.05487	1.9
68.99784	2.4
79.05482	2.0
81.03419	1.2
83.04994	1.9
89.03916	1.6
91.05460	4.4
93.03384	2.8
95.04956	8.3
97.02917	1.0
101.76131	0.8
103.05444	1.3
105.03375	1.8
107.04955	7.5
109.02875	2.2
111.04426	9.2
115.05441	1.0
117.03384	1.5
119.04953	7.3
121.02839	1.8
121.06490	1.8
123.04420	34.6
124.04790	1.5
125.02367	2.5
131.04950	4.5
133.02821	9.9
133.06415	1.0
135.04398	20.4
137.02333	9.7
137.05960	2.9
139.03889	42.0
141.06958	3.0
143.04939	0.9
145.02789	0.9
145.06503	1.9
147.04338	6.6
149.02342	3.5
149.05952	1.9
151.03905	9.4
152.04674	4.9
152.06184	1.7
153.04190	1.2
153.05418	1.1
153.06947	3.4
155.08522	1.2
157.02823	1.2
159.04417	2.9
159.07996	1.0
161.05974	1.7
163.03888	11.9
164.06279	0.9
165.05479	4.4
165.06995	17.6
166.05835	1.2
166.07315	1.1
167.03403	1.4
167.07043	2.2
167.08499	1.3
168.06613	1.0
169.06465	5.0
171.08066	1.2
173.05956	1.5
175.03917	3.6
176.06137	1.1
177.01816	0.9
177.06992	2.6
179.03384	8.7
179.04811	1.3
181.04907	4.5
181.06482	5.3
183.08064	3.8
185.02161	1.1
185.05940	2.0
187.03885	9.2
191.03348	1.9
193.04915	2.9
193.06473	14.1
195.08058	2.3
197.04381	1.1
197.05977	12.0
199.07515	0.9
203.03346	2.3
205.06451	8.2
209.04277	2.1
209.05972	2.7
211.07487	11.6
213.01863	3.5
213.05452	3.1
215.03439	3.8
215.07025	5.9
221.05951	54.2
222.06425	3.0
223.07507	15.7
225.05434	15.7
226.06215	3.5
227.07013	3.1
228.03967	1.0
229.04936	1.8
231.02802	7.1
233.05937	5.9
235.07574	0.9
237.05511	5.3
238.06212	6.6
239.07004	31.4
240.07428	1.6
241.04962	3.2
241.08493	1.3
242.05699	24.6
243.06465	15.5
249.05458	69.9
250.05994	6.2
251.07025	14.2
252.04292	1.2
252.07451	0.9
253.04938	12.1
254.05547	1.6
255.06488	28.8
256.07184	4.7
257.08054	24.5
259.03717	2.0
259.06039	4.0
261.05331	1.4
263.06854	2.2
265.04993	2.8
266.05542	5.1
267.06500	51.0
268.07025	2.8
269.04440	10.7
269.08051	25.8
271.05978	15.2
273.07599	6.7
275.07053	1.3
277.04938	43.3
278.05499	4.8
279.06461	8.1
281.04468	9.3
281.07660	1.9
283.06012	3.4
285.07535	56.5
286.07996	2.1
289.04538	1.2
289.07468	1.3
291.06366	1.4
293.04364	1.6
294.05066	5.0
295.05972	86.5
296.06125	4.3
297.03946	5.8
297.07529	9.8
299.05475	3.6
301.07047	13.8
305.04321	3.3
306.04810	1.0
307.06030	2.4
308.06619	1.0
309.07733	1.0
310.09482	0.9
313.07019	37.4
314.07254	0.9
315.04825	1.2
315.08319	1.1
317.06561	9.6
319.05713	2.0
321.04068	4.4
321.07303	1.6
322.04202	2.1
323.05466	100.0
324.05902	4.2
325.07019	14.2
331.08090	24.7
332.08380	1.5
335.05914	1.0
337.07214	1.7
339.04694	1.6
341.06540	10.7
347.05402	1.5
353.07855	1.7
355.09094	1.3
359.07635	1.7
371.09210	1.1
377.08548	9.8
381.07373	2.6
383.09119	2.1
387.08234	1.6
399.08499	4.5
400.09222	1.1
405.07504	1.2
409.07123	1.3
411.08530	2.0
423.08719	1.3
427.08075	9.7
428.08713	2.2
429.09592	2.5
433.07846	1.2
437.06473	1.2
439.07895	1.2
441.09692	2.3
445.09109	2.9
451.08014	1.6
455.07550	3.1
461.08685	2.6
462.09351	1.1
463.09821	2.0
469.09277	4.6
473.08572	3.9
487.10107	2.5
489.08057	1.9
490.08368	3.1
491.09787	4.1
504.10434	8.2
515.01935	2.2
515.09637	34.2
516.10199	1.4
519.09149	1.4
533.11469	1.2
561.11157	1.4
579.12921	1.3
581.14471	1.2
585.82990	1.0
589.11066	1.3
597.14020	6.4
607.12378	4.5
625.13159	11.9
635.11621	2.8
643.14465	14.4
653.12823	17.2
653.29431	1.0
654.12244	1.4
671.13867	20.6
672.13763	1.4
717.14545	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
71.01348	4.1
81.03394	2.9
91.05524	2.1
91.41884	1.9
95.04973	3.7
103.05464	2.2
107.04971	2.2
109.02915	1.8
111.04426	5.7
117.03347	2.3
117.21661	1.8
119.05006	2.9
123.04412	17.4
127.03825	1.9
131.04878	2.3
135.04413	9.8
137.02332	15.6
137.03374	4.2
137.05962	12.1
139.03899	9.8
140.04590	2.2
145.02821	2.6
147.04440	11.0
149.02379	4.2
149.05952	2.6
151.03894	4.2
153.05537	4.2
153.06937	4.5
155.03386	5.0
163.03893	24.9
165.05684	2.6
165.07010	6.3
167.03403	7.0
169.04991	5.2
169.06429	3.2
175.03853	3.6
179.03383	3.4
179.04863	4.7
180.04274	1.9
181.04985	4.4
181.06476	8.9
185.05927	2.0
187.07578	3.6
191.03374	13.5
191.04860	2.4
193.06441	4.4
196.28860	1.8
197.05960	25.9
201.05461	1.9
205.06523	3.2
207.04402	14.2
208.05008	2.3
209.04404	10.0
209.05893	3.7
211.07559	6.3
213.05411	2.9
221.05969	28.4
223.07494	3.0
225.05470	28.5
226.05992	2.8
229.04849	2.9
235.03932	11.0
236.04581	2.2
237.05392	17.1
239.07047	7.7
241.04993	2.2
243.06508	18.2
249.05464	20.9
250.06213	2.2
251.07051	5.6
253.04932	52.6
254.05478	3.4
255.06512	14.1
256.03625	2.6
257.04462	3.6
259.05954	2.3
263.03482	4.0
265.04941	8.2
267.06473	23.2
269.04404	5.9
270.05194	5.3
271.05878	11.2
277.04953	6.9
279.06342	4.2
281.04437	30.2
282.05106	2.7
285.07639	15.4
289.07095	2.7
293.04324	3.5
294.05170	2.5
295.05963	43.2
296.06268	3.9
297.03961	2.2
297.07385	3.1
299.05350	12.2
307.06226	3.7
309.03745	2.5
311.06784	2.9
312.08282	2.5
313.07034	100.0
314.07321	6.5
316.05615	2.8
317.07599	2.8
323.05508	8.9
329.08429	2.4
331.08145	8.8
341.06625	7.6
342.09662	3.2
345.06256	9.6
357.07764	2.2
359.07663	43.4
360.10724	4.3
361.06943	4.0
363.08731	2.6
369.07114	2.3
373.06894	4.3
377.08588	3.6
385.06900	3.3
387.07089	81.3
389.06857	2.3
393.07312	2.6
409.07068	2.5
413.06473	4.1
427.09006	2.1
431.07816	2.8
449.09235	3.2
455.92606	2.3
457.08871	2.2
463.10535	3.8
473.09357	5.6
477.08572	4.4
491.10544	4.2
501.09354	5.9
519.10571	3.8
520.12091	4.0
529.08942	2.5
531.09381	30.8
532.08490	2.8
547.09680	5.5
565.11060	6.2
593.10498	4.4
607.12146	4.0
611.11621	4.2
625.13495	4.1
639.11237	3.6
643.14111	4.9
653.12518	4.0
657.12347	12.7
671.13861	16.2
699.13031	13.3
717.13599	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	717.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06543	0.3
67.01877	0.3
68.93118	0.3
70.30814	0.3
81.03430	0.4
83.05000	0.8
85.02903	1.2
89.03940	0.5
90.06051	0.3
91.05482	0.8
98.23510	0.7
103.05460	0.5
111.04446	0.5
114.84171	0.4
117.03400	1.3
119.04958	0.7
131.04927	0.7
135.04424	0.6
137.05988	1.5
145.02878	2.6
146.03127	0.6
151.07526	1.6
163.03891	1.0
163.07590	1.4
166.03378	0.3
177.05479	3.7
177.09077	3.8
177.10339	0.4
178.05836	1.1
178.09485	1.4
211.05763	0.8
219.06380	0.6
241.36908	0.4
244.36060	0.4
317.10107	0.5
318.10840	0.8
319.11646	1.0
335.11176	1.1
523.18219	0.7
529.16833	5.0
641.95081	0.4
657.21527	1.0
717.23566	100.0
718.23877	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	717.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22643	0.6
70.32446	1.3
106.69572	0.7
129.39928	0.6
139.03902	0.8
184.07265	0.8
194.34669	0.7
312.85660	0.8
347.48596	0.8
436.81226	0.7
479.02719	0.7
580.00397	0.8
717.34479	100.0
718.35046	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	717.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87386	1.0
69.08997	7.4
73.39294	1.0
182.49658	1.0
274.39102	1.2
485.11765	1.1
717.34473	100.0
718.35431	6.1
748.03900	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63984	1.1
55.01885	1.8
55.05507	3.1
57.03433	3.1
61.02925	11.0
67.05492	9.8
69.03415	5.3
69.07067	1.4
69.43362	2.5
69.43752	2.1
71.01381	1.2
73.02913	7.1
78.81230	1.0
79.05505	5.7
79.05891	1.1
81.03427	2.7
81.07059	7.0
83.04981	2.9
83.08628	1.3
85.02914	8.2
91.03965	4.7
91.05483	5.1
93.07026	8.2
95.04918	1.6
95.08608	4.6
97.02884	8.2
98.23473	2.1
101.02380	2.9
105.07036	1.4
105.57780	1.0
107.08601	4.1
109.10168	1.9
111.08062	1.5
119.08606	2.4
121.10138	2.6
127.03891	1.8
133.10023	1.0
135.11664	5.3
140.94429	1.0
145.10246	1.2
221.11543	3.2
243.08473	3.2
249.03252	1.3
286.64499	1.1
439.19608	5.0
506.04758	1.2
519.29175	11.2
530.70850	1.3
717.41730	100.0
718.41998	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	718.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80662	1.2
54.44782	1.4
55.05511	2.2
57.07069	30.3
57.07335	2.4
60.00829	1.3
69.07053	2.2
71.08627	21.7
72.06947	1.4
72.50983	1.5
73.02955	1.3
73.06548	7.9
75.62667	1.2
83.08625	2.9
85.10172	16.2
86.09720	1.3
87.04469	10.7
89.06024	100.0
90.06380	2.1
97.10204	3.2
98.96511	1.4
99.11742	4.4
100.08733	1.3
107.07049	3.2
117.09106	11.1
130.08545	1.5
131.07076	3.6
133.08591	50.5
155.17944	3.6
161.11751	2.6
175.09645	2.4
177.11215	19.5
184.07274	3.1
199.20554	4.2
221.13887	3.7
223.15198	1.5
243.23161	7.8
283.17575	3.0
287.25717	4.7
325.13022	1.6
377.20505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83461	0.4
64.73656	0.5
65.03933	10.7
66.66847	0.5
70.53154	0.6
70.53493	0.9
77.03909	0.5
79.05488	1.7
81.73883	0.5
89.03910	1.9
91.05473	7.9
93.03396	15.8
95.04981	1.1
101.72382	0.5
105.04523	0.5
107.04247	1.0
107.04944	14.9
111.04433	50.4
112.04772	1.0
116.09918	0.5
117.03377	1.6
119.04913	3.0
123.04419	1.1
131.04901	1.0
135.04402	58.4
136.04747	1.2
137.02315	6.9
137.05957	3.1
139.03885	100.0
140.04228	1.2
143.38449	0.5
145.02789	0.7
147.04416	0.9
153.05450	1.7
159.04440	0.8
163.03888	23.7
164.04135	0.8
165.06985	7.4
169.06432	0.9
175.03908	0.8
176.06073	0.8
177.06973	1.4
179.03421	1.0
181.04939	87.7
182.05321	2.6
187.03888	3.7
193.06454	4.7
195.08058	0.6
196.05075	0.6
197.05957	2.2
203.03352	8.2
205.04968	0.6
205.06531	5.0
209.04398	1.1
211.07434	2.9
213.01840	4.0
215.07054	0.7
221.05942	22.0
222.06493	1.5
223.07535	4.8
224.04756	0.7
225.05428	8.8
231.02838	6.4
231.04736	0.7
233.05942	3.5
239.07036	8.6
249.05447	27.6
250.06076	3.1
251.06978	4.7
252.04216	3.3
253.04933	8.3
255.06480	4.4
259.03723	0.8
261.05396	1.7
266.05829	1.0
267.06509	13.6
268.07074	1.0
269.04352	1.1
271.05954	2.0
277.01926	1.2
277.04938	25.2
278.05627	3.2
279.06488	7.5
281.04395	11.8
284.03162	1.0
285.07565	1.9
294.05042	0.8
295.05984	71.2
296.06378	4.7
297.07529	5.3
299.09024	1.0
305.04483	4.8
313.07047	8.5
319.08124	1.4
323.05457	97.1
324.05725	4.3
325.07089	1.8
339.08578	0.6
341.06509	10.4
365.06390	1.4
393.06067	0.8
411.07159	2.3
414.24228	0.6
429.09189	0.6
447.10495	1.7
475.09821	1.2
493.11267	3.6
521.10736	10.2
522.10626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
59.64288	0.7
65.03940	15.1
65.34462	0.7
69.26228	4.1
75.51431	0.9
79.05483	3.6
84.80036	0.7
85.08536	0.7
89.03902	2.6
91.05476	10.2
93.03400	22.0
95.04958	1.5
98.22701	1.4
107.04946	18.4
108.66666	0.7
111.04436	64.7
114.41487	0.8
117.03361	2.1
119.04925	3.1
123.04437	1.5
131.04962	0.9
135.04408	56.0
136.04652	0.9
137.02322	7.7
137.05956	2.1
139.03888	100.0
140.04256	1.8
141.06941	0.7
145.02849	0.8
145.03992	0.7
147.04382	0.9
152.06264	0.7
153.05441	2.1
153.06995	0.8
156.26318	0.8
159.04414	1.2
163.03899	20.2
165.06987	10.0
169.06438	2.0
175.03900	1.2
176.06247	1.1
177.06972	1.6
179.03400	1.4
181.04939	88.7
182.05302	1.8
183.07991	0.8
185.02345	1.0
187.03870	4.6
193.06482	7.9
195.08083	1.0
197.05914	3.7
200.59322	0.9
203.03404	10.1
205.06511	4.8
211.07506	3.8
213.01775	4.2
215.07019	1.1
221.05952	27.0
222.06464	1.6
223.07529	5.6
225.05479	9.1
231.02849	6.8
233.05977	3.3
234.06487	0.8
237.05490	1.1
239.06999	8.7
249.05453	27.7
250.05971	2.7
251.06984	4.4
252.04118	4.7
253.04962	8.7
255.06439	4.0
259.03870	1.0
266.05823	1.4
267.06488	15.5
268.07056	1.4
269.04419	1.5
269.07935	1.1
271.05930	1.9
277.04941	21.5
278.05551	2.8
279.06522	4.7
281.04416	11.1
282.04730	1.0
284.03098	1.9
285.07388	1.0
294.05194	1.1
295.05981	64.2
296.06360	3.5
297.07520	4.1
299.05585	0.8
299.08975	0.8
305.04385	4.4
313.07022	8.8
314.07291	0.8
323.05472	99.2
324.05865	4.9
325.06927	2.4
341.06613	10.2
342.39371	0.8
365.06412	3.0
411.07364	2.0
429.09393	1.0
436.34393	0.7
447.10605	2.0
475.10507	1.1
493.11310	5.3
521.10748	10.7
529.99182	0.9
555.66766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75885	0.7
55.05515	0.7
57.03431	1.6
61.02922	4.4
67.05485	4.1
69.03423	3.0
69.07061	1.4
71.01363	0.8
71.04978	0.7
71.43378	0.6
72.36241	0.7
73.02913	2.7
75.36289	0.6
79.05490	3.0
81.03411	1.4
81.07044	4.6
85.02895	4.2
87.04485	0.7
91.03965	3.1
91.05473	1.4
93.07059	2.8
95.08614	3.1
97.02897	4.2
99.04443	0.8
101.02389	1.0
105.07025	2.2
107.08593	1.8
108.01425	0.6
109.02882	1.4
109.10160	1.6
119.08611	1.6
121.10139	1.8
127.03957	1.4
131.08618	1.0
134.51256	0.7
147.11713	1.4
184.07355	1.0
220.88631	0.7
223.13220	1.2
243.08392	1.5
297.43216	0.7
441.20801	3.5
519.29181	8.2
523.41083	0.8
593.39545	0.8
719.43317	100.0
720.43713	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18773	0.7
55.01853	0.6
55.05497	1.6
57.03425	2.2
61.02919	7.9
61.38438	0.6
67.05493	4.2
69.03436	3.7
69.07056	1.0
69.39241	3.0
71.01360	1.1
71.04989	0.8
73.02916	4.2
79.05492	4.6
81.03407	1.6
81.07051	7.4
83.04955	0.8
83.08629	0.7
85.02906	6.9
86.09714	0.8
91.03952	4.1
91.05490	2.3
93.07050	2.8
94.10288	0.6
95.04935	0.6
95.08592	4.2
97.02870	5.3
99.04452	1.7
101.02388	2.2
105.07018	3.4
107.08632	1.3
109.02913	0.8
109.10136	1.2
119.08615	0.9
121.10136	1.6
127.03944	1.3
131.08598	0.7
133.10144	0.9
135.11673	0.8
147.11687	1.9
173.13301	0.6
184.07410	1.8
185.04234	0.6
209.73900	0.6
239.16495	0.8
243.08557	1.7
272.47083	0.6
441.20856	6.5
459.76605	0.6
519.29364	5.6
575.61359	0.6
719.43341	100.0
720.43787	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	719.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.6
53.29239	4.3
53.63159	4.0
55.01860	5.4
55.05513	28.2
57.03422	15.9
57.07048	8.2
61.02910	5.1
61.07513	4.8
67.05494	72.2
69.07050	16.2
69.47014	20.3
71.05002	6.9
76.27881	4.3
79.05489	92.1
81.03406	9.7
81.07053	78.8
83.04964	13.3
83.08601	9.5
85.02885	8.0
91.05468	100.0
93.07028	94.5
95.04967	23.8
95.08599	39.7
97.06503	7.7
103.05433	5.4
105.04528	4.9
105.07013	96.0
107.04934	7.2
107.08596	46.5
109.06504	11.8
109.10114	10.1
117.06995	20.6
117.58710	5.5
119.08560	63.7
121.10098	17.4
123.08042	10.6
129.06981	31.2
130.07751	4.5
131.08545	29.7
132.94429	4.6
133.10101	50.3
135.08020	5.0
135.11690	17.5
138.24072	4.8
141.26033	4.4
143.08539	18.4
145.10060	33.8
147.11671	55.5
149.13260	10.5
157.10104	11.5
159.11665	17.0
161.09557	6.5
161.13248	34.3
162.35887	4.7
164.91524	4.2
167.08542	5.7
169.10092	9.2
171.11661	24.3
173.13217	11.4
175.14815	15.1
181.10022	6.9
183.11700	9.8
184.07198	4.9
185.13214	10.5
187.14864	5.2
189.12810	5.8
195.11768	6.2
197.13225	7.2
197.80202	4.3
199.14813	5.8
207.13806	18.5
231.20950	7.6
241.19553	25.8
257.18945	5.3
259.20569	52.3
279.15887	14.0
281.17407	49.7
315.23117	8.4
333.24304	34.5
429.30887	6.5
437.34320	8.4
447.32629	12.2
465.33508	11.6
483.34433	6.1
503.34955	5.2
539.37213	64.2
557.38171	15.7
719.46851	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	720.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39784	0.3
53.03937	0.7
55.01849	0.6
62.67303	0.4
64.51779	0.3
65.03935	5.4
67.05477	1.2
69.03422	1.1
69.31570	1.3
69.31979	0.6
77.03932	0.9
79.05486	0.6
81.03402	3.2
82.04182	0.7
85.02903	3.6
87.53821	0.4
89.03897	0.6
91.05477	5.2
93.03395	3.5
93.07036	0.4
95.04967	12.0
97.02889	0.7
97.06488	0.7
98.23386	0.7
99.04438	0.5
101.24960	0.4
103.05455	1.4
105.04517	1.3
107.04947	3.4
108.02097	0.6
109.02875	1.2
110.03648	1.2
111.04436	11.8
112.04718	0.4
117.03390	0.6
119.04933	15.1
120.05301	0.4
121.02829	1.3
121.06495	0.6
123.00780	0.5
123.04423	30.0
124.04793	0.6
125.05988	1.3
131.04808	0.4
135.04399	10.7
137.02333	2.6
137.05963	1.5
138.03073	0.7
139.03899	18.3
140.04691	4.8
142.02530	0.4
145.02779	0.8
147.03294	0.8
147.04398	11.0
153.05429	3.1
155.07045	2.8
163.03915	8.7
164.04161	0.7
165.05479	25.4
165.06935	1.8
165.48134	0.4
167.03247	0.4
171.06535	4.0
175.03987	0.5
175.65112	0.4
177.06996	0.7
178.07726	0.6
181.04944	100.0
182.05280	2.5
187.03879	1.6
193.06491	1.4
195.08012	1.0
197.05946	1.1
199.05995	5.1
203.03403	3.5
205.06512	1.8
207.08096	0.5
211.07478	0.5
213.01765	1.2
221.05994	4.7
222.06364	0.5
223.07542	4.2
225.05420	2.8
231.02869	1.2
233.05974	3.4
235.07509	1.0
236.04716	0.8
237.05524	1.6
239.06964	3.5
249.05441	5.6
250.06148	1.2
251.07022	5.8
252.04221	0.7
253.04953	2.1
255.06541	0.9
261.05463	1.4
263.07086	0.5
265.05005	1.4
267.06470	3.2
268.07043	0.6
269.07785	0.5
271.06039	0.7
277.04916	5.0
278.05475	0.9
279.06516	16.2
280.06915	0.7
281.04391	2.0
281.07693	0.8
285.07498	1.1
289.04959	0.6
295.05988	13.2
296.06329	1.7
297.07553	2.5
305.04483	0.7
307.05966	12.4
313.07071	6.1
318.59976	0.4
323.05475	18.7
324.05771	1.6
325.09024	2.5
341.06601	1.1
343.10278	4.8
367.08304	0.4
374.20255	0.4
393.06082	0.5
431.11215	0.5
477.11588	1.8
505.11246	12.0
506.11652	1.0
521.10876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37706	0.2
53.03941	0.6
53.91692	0.2
55.01865	0.4
57.19839	0.2
65.03931	3.3
67.05497	1.2
69.03423	1.2
69.15719	1.1
77.03963	0.2
79.05482	0.4
81.03413	3.1
82.04182	0.7
85.02396	0.4
85.02895	2.8
89.03902	1.0
91.05463	0.5
93.03394	1.6
95.04974	2.0
96.05745	0.2
97.02888	1.1
97.06522	0.7
98.22700	0.4
99.04465	0.4
105.04536	0.3
107.04958	0.9
108.02074	0.4
109.02888	1.1
110.03658	1.3
111.04436	2.0
117.03398	1.5
119.04933	0.7
121.03966	0.2
123.00819	0.3
123.04455	1.6
125.02310	0.4
125.06020	1.1
127.00307	0.2
127.03925	0.7
135.04407	4.2
137.02303	0.6
138.03111	0.8
139.03911	2.3
139.84302	0.2
140.04688	4.4
140.05774	0.2
142.02597	0.6
145.02849	2.0
147.04427	1.3
153.05443	2.9
155.07031	2.6
155.90767	0.2
163.03894	15.0
164.04204	0.6
165.05577	0.9
165.06834	0.3
167.03473	0.2
171.06514	4.6
181.04939	100.0
182.05309	1.5
199.05994	7.9
214.63013	0.2
221.05965	0.6
222.06317	0.2
249.05428	0.5
255.06601	0.2
267.06564	0.3
277.05005	0.3
279.06348	0.7
295.06030	1.3
296.06461	0.4
307.05920	0.4
313.06958	0.3
323.05487	2.4
324.05841	1.2
325.09192	4.7
343.10239	7.0
418.18427	0.2
436.39825	0.2
505.11749	0.8
668.83575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43346	1.1
52.89840	1.2
53.03939	6.7
55.01871	5.1
55.05512	10.2
57.03426	5.4
57.07066	1.8
61.02915	3.3
65.03946	2.4
67.05500	9.8
68.99785	2.6
69.03429	21.0
69.07066	4.0
71.04988	3.2
73.02911	5.3
73.06559	1.3
79.05482	9.0
81.03410	20.0
81.07045	22.2
81.08372	1.2
83.04976	7.3
83.08609	2.6
85.02898	40.5
85.03416	2.5
85.06537	2.3
87.00816	19.1
91.03955	2.6
91.05466	16.8
91.90298	1.1
93.07035	20.2
95.04970	2.8
95.08598	24.5
97.02885	15.6
97.06549	1.5
99.04445	8.5
99.08102	1.9
101.06017	14.3
105.01849	9.9
105.07023	43.2
105.07730	2.4
107.08588	26.9
108.83208	1.2
109.02871	23.7
109.06522	3.2
109.10153	14.0
111.04421	1.3
111.08066	2.1
115.03899	3.2
117.01875	3.0
117.07003	11.0
119.07069	4.2
119.08568	34.6
121.10139	14.7
123.11701	4.0
127.03895	26.1
128.06194	1.4
128.59497	1.1
129.01842	3.7
129.07014	3.6
130.07758	2.7
131.08553	23.5
133.10120	23.5
133.11133	1.2
135.11659	3.4
142.07791	3.5
143.08528	7.0
144.09364	5.5
145.04947	10.0
145.10115	56.1
146.10588	1.5
147.02789	2.7
147.11703	18.3
149.13246	4.5
155.08556	2.0
157.10100	12.0
158.10754	1.4
159.02873	14.4
159.11681	60.8
161.13248	41.7
163.11168	1.9
163.14874	2.3
169.10085	2.6
171.11644	5.9
172.12494	1.8
173.09839	1.2
173.13257	14.2
175.14815	3.1
177.12750	2.4
181.10161	2.2
183.11671	2.5
185.13281	4.8
186.14090	1.4
187.14786	3.4
189.12799	1.4
189.16420	5.6
191.14305	1.7
195.11652	2.6
195.23714	1.3
197.13268	2.7
199.14729	6.9
201.16368	100.0
202.16743	3.5
203.14157	1.4
203.17929	37.9
207.11859	1.3
207.17377	1.5
208.12952	1.1
211.14857	4.6
213.12650	1.2
213.16405	5.9
217.15909	11.9
219.05109	1.2
219.17421	63.5
220.17737	1.7
223.14813	2.1
225.16348	3.4
229.15811	2.8
231.04980	7.0
231.17502	6.4
231.19437	1.1
237.18483	7.7
243.17441	3.8
249.16127	1.3
249.18475	1.9
261.18527	3.2
261.21082	1.3
273.18546	1.8
281.18793	1.4
309.18448	2.6
327.19577	3.8
413.19498	3.7
431.20615	6.0
449.21680	19.7
467.22827	9.0
671.97424	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73669	0.7
55.01870	1.0
55.05505	2.5
57.03439	1.6
61.02928	4.3
67.05499	9.4
67.79175	0.7
69.03423	3.3
69.07060	3.7
70.06569	1.3
73.02917	3.7
73.62306	0.7
79.05504	2.3
81.03408	2.2
81.07054	2.4
82.84105	1.0
83.04976	1.1
83.08618	1.7
85.02891	4.8
87.04489	0.7
91.03959	2.1
91.05485	2.6
93.07054	1.8
95.04991	0.9
95.08588	2.0
97.02876	5.4
97.06554	1.4
97.10133	1.4
98.23585	1.3
101.02364	1.6
105.07035	3.0
107.04964	1.3
107.08596	2.1
108.30397	0.7
109.02874	1.1
109.10143	7.4
109.10788	0.8
119.08571	1.9
121.72572	0.8
125.09676	0.9
127.03860	1.3
131.08617	1.0
133.10182	1.4
137.09622	1.3
149.02357	3.4
154.91568	0.8
173.11801	1.8
193.04921	4.6
193.12299	0.8
223.13374	1.7
229.14395	0.9
243.08484	3.2
256.26450	3.2
275.20313	1.1
291.19693	1.4
300.29068	3.0
331.19141	2.1
348.06943	0.7
382.26358	0.7
413.17737	10.5
541.35364	1.7
549.26630	4.3
693.97687	0.8
721.37598	100.0
721.55920	7.4
722.37946	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	722.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01871	4.4
55.05259	0.9
55.05502	10.0
57.03437	9.6
58.33408	0.7
59.04993	1.8
61.02909	1.1
62.09998	0.7
67.05500	13.2
69.03427	2.0
69.07066	3.7
71.04975	2.5
79.05486	16.0
81.03411	38.7
81.06573	1.0
81.07049	16.0
83.01332	3.7
83.04971	7.6
83.08613	12.4
85.02895	3.2
85.06554	0.6
91.05470	13.5
93.07035	14.5
95.04952	14.2
95.08606	5.9
97.02870	2.5
97.06525	2.1
97.10155	6.1
99.04457	0.9
105.04506	0.7
105.07016	10.8
107.04951	7.5
107.08582	9.6
109.02859	1.4
109.06506	4.1
109.10155	3.5
111.04435	3.0
111.08065	2.5
113.05982	0.8
115.05475	1.2
117.07014	4.9
117.95507	0.7
119.08572	8.9
121.06492	4.4
121.10146	6.8
123.04383	1.1
123.08064	5.1
125.09619	4.5
129.07011	5.7
131.08531	7.2
133.06508	2.1
133.10126	1.8
135.04393	1.1
135.08067	2.1
135.11684	5.8
137.05949	0.9
137.09592	1.3
143.08528	1.2
145.06479	2.2
145.10106	8.3
147.08011	3.6
147.11655	3.7
149.09616	3.1
153.12743	1.8
157.10095	3.9
159.11655	0.8
161.05959	2.6
163.03954	0.8
163.11169	10.1
171.08090	1.3
173.06056	1.0
173.09608	2.2
175.11125	4.2
175.94087	0.8
181.12276	1.6
187.07559	0.8
189.11232	2.0
190.53960	0.9
191.10666	1.9
193.12180	8.6
205.12270	1.3
209.11751	2.5
211.11360	1.0
211.13332	1.4
227.12819	2.0
231.13768	1.7
241.27997	0.8
243.13927	0.9
249.14844	1.1
259.13239	1.0
265.14484	1.3
267.13107	1.3
267.15891	24.4
268.16156	0.9
271.13312	0.8
273.14856	1.9
283.15381	21.8
289.14355	3.3
337.21585	1.0
355.22568	2.1
365.21085	3.2
383.22147	17.5
401.23160	7.8
419.24088	1.7
431.24478	1.4
439.24646	2.0
457.25797	26.9
458.26361	1.5
475.26862	100.0
476.27283	5.1
493.27963	9.5
517.28119	1.8
583.28479	1.0
670.03113	0.8
722.36969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
53.75140	0.7
55.01865	6.5
55.05495	3.7
57.03433	4.7
61.02931	3.7
67.05500	4.6
68.99781	2.6
69.03423	22.0
69.07062	5.9
69.24323	4.5
71.04988	3.5
73.02917	5.9
79.05473	4.8
81.03413	27.1
81.07057	12.2
83.08618	3.1
85.02900	55.7
86.90238	0.7
87.00824	23.8
91.03967	1.6
91.05475	5.4
91.18850	0.7
93.07040	11.0
95.04967	1.9
95.08602	20.1
97.02884	26.0
97.10161	1.8
98.06056	1.2
99.04454	9.6
105.01861	27.6
105.07022	24.9
105.07729	1.2
107.08588	14.7
108.04478	3.3
109.02872	29.6
109.06513	1.7
109.10156	9.9
115.03895	1.0
117.01837	3.1
117.06980	1.4
119.08567	28.5
119.09415	1.5
120.62737	0.7
121.06498	10.6
121.10132	14.4
123.11666	2.2
126.05486	2.4
127.03904	44.0
129.01823	2.5
129.68126	0.9
131.08565	4.8
133.10121	17.5
133.11142	0.9
135.08032	3.5
135.11670	5.5
143.08559	2.4
144.11150	0.7
145.04941	18.1
145.10106	11.6
147.02881	2.1
147.08026	9.5
147.11665	11.7
149.09621	1.1
149.13237	7.7
157.10104	2.5
159.02873	13.9
159.11688	9.3
160.08997	0.8
161.09625	8.1
161.13245	61.6
161.40364	0.7
162.13585	2.1
163.14801	18.1
171.11682	2.2
173.09712	1.1
173.13271	5.7
175.11208	2.2
175.14807	19.1
176.15166	0.8
177.12796	1.5
177.16376	20.9
183.11693	1.1
185.13208	4.6
187.14798	14.3
189.12721	19.4
189.16356	19.5
191.14293	8.6
191.17923	25.8
199.14804	2.8
201.12857	1.1
201.16336	6.4
203.14310	9.1
203.17918	13.9
205.15900	1.0
207.13815	3.1
213.03909	4.1
213.16409	2.3
215.14310	8.7
215.17876	2.0
217.15834	1.9
217.19366	1.0
221.15361	0.9
227.17912	1.4
229.15944	3.7
229.19562	2.0
231.04961	11.7
233.15456	1.1
235.16838	1.8
243.17430	1.2
247.16891	1.3
247.20610	1.0
248.07578	3.8
249.06046	1.8
249.18539	3.4
261.18503	0.9
266.08704	2.2
330.64923	1.0
335.27417	1.2
359.22229	0.8
375.30466	5.1
377.32169	1.3
381.11502	0.9
393.31479	100.0
394.31760	6.7
395.28314	1.2
395.33090	15.7
396.33557	1.3
411.32550	21.6
412.33124	1.5
421.30942	12.2
422.31052	0.9
439.31891	8.3
482.99762	0.8
626.05945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72103	0.5
53.03944	0.6
55.05505	2.0
55.90822	0.6
57.03428	1.7
58.94200	0.6
61.02925	5.0
67.05499	9.1
69.03432	1.6
69.07063	2.0
69.09986	1.2
69.10391	3.5
71.04987	1.6
73.02914	3.4
78.46703	0.6
79.05491	3.6
81.03423	1.9
81.07049	4.2
83.08594	0.9
85.02895	4.0
91.03970	1.7
91.05485	1.9
93.07049	2.7
95.04973	0.9
95.08630	2.1
97.01905	0.7
97.02911	3.8
97.06554	0.8
99.04459	1.2
101.02392	1.6
105.07051	1.6
107.04989	0.7
107.08603	1.0
109.02910	0.6
109.10144	6.6
117.07077	0.8
119.08590	1.6
127.03932	1.4
131.08592	0.8
133.10129	1.0
137.09616	0.8
145.10182	0.6
173.11703	1.2
190.56728	0.6
229.14378	0.9
243.08440	2.3
288.92181	0.6
333.20505	1.7
413.17740	9.6
439.19226	0.8
551.28491	4.8
723.39154	100.0
724.39722	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	723.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.1
55.05507	5.7
57.03457	2.6
57.07078	3.4
61.85250	2.7
67.05498	12.5
69.03427	15.3
69.07055	6.2
70.91972	2.3
73.02887	3.7
79.05492	8.3
79.96458	2.8
81.03409	10.7
81.07052	17.1
83.04967	6.8
85.02896	33.9
87.00828	15.2
91.05482	11.7
93.07058	22.1
95.08604	29.9
97.02895	9.2
98.23419	8.2
99.08098	3.1
105.01865	10.5
105.07008	15.9
107.08581	29.7
109.02855	9.0
109.06540	3.9
109.10131	12.8
111.08080	3.9
117.07030	3.9
119.08574	27.4
121.06510	7.7
121.10107	17.3
123.08067	3.7
123.11735	6.1
125.09648	10.8
127.03895	23.2
131.08560	9.7
133.10097	17.8
135.08014	28.4
135.11710	3.8
137.09630	5.3
143.08578	8.3
145.05061	4.1
145.10120	12.7
147.08009	6.8
147.11676	12.2
149.09563	5.2
149.13243	5.9
151.11203	3.0
157.10120	12.7
158.16692	2.9
159.08040	8.5
159.11697	17.5
161.09579	20.0
161.13289	7.9
163.14807	5.8
169.10097	6.3
171.08113	3.5
171.11682	9.7
173.09590	6.4
173.13271	12.2
174.10191	3.9
175.11188	9.5
175.14850	5.8
183.11707	6.8
185.09511	5.4
185.13289	9.6
187.11128	6.2
187.14827	7.8
189.12769	7.8
189.16356	6.0
191.14264	3.0
197.13211	3.7
199.11182	6.9
199.14850	6.5
201.12718	19.1
203.14287	74.6
203.17645	4.0
204.14610	4.1
205.15857	8.3
213.16393	11.4
215.14302	9.5
215.17888	3.7
217.15881	9.7
219.13753	28.1
227.14259	5.4
229.15843	4.6
231.05005	4.5
231.17467	12.3
241.15793	4.9
243.17345	3.7
257.19000	8.5
311.23608	3.8
403.30078	14.3
421.30997	100.0
422.31210	12.3
439.31985	66.0
457.33118	48.7
539.66296	3.2
541.28186	3.1
723.36560	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	724.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01857	2.4
55.05508	32.6
57.03429	7.2
65.03958	3.0
67.05502	17.1
69.03446	2.3
69.07056	4.8
71.04996	3.3
79.05490	15.4
81.03400	3.6
81.07051	16.4
83.04974	100.0
91.05471	30.3
93.07039	19.9
95.04961	22.3
95.08592	9.7
97.06538	3.7
99.04434	18.6
103.05461	2.5
105.07024	37.7
107.04980	2.3
107.08583	10.2
109.06496	3.0
109.10129	2.8
111.08089	2.0
115.05453	7.6
117.05586	8.1
117.07005	50.7
119.04961	3.0
119.05999	1.6
119.08565	15.7
119.22535	1.7
121.06499	3.7
121.10143	6.2
123.08062	4.3
126.87516	1.7
128.06194	12.9
129.06998	28.1
130.07797	6.2
131.08560	31.3
133.06419	1.8
133.10097	8.6
135.08028	3.4
136.61195	1.7
137.05928	2.2
141.07042	2.6
142.07735	8.6
143.08551	30.7
145.06485	6.5
145.10100	39.8
147.08051	6.6
147.11673	7.2
149.09547	2.4
149.13219	3.6
153.07011	3.7
154.07721	3.0
155.08521	18.1
156.09288	4.6
157.10098	13.1
158.07278	5.2
159.08018	2.3
159.11700	7.7
159.36058	2.1
161.09593	9.7
161.13251	6.0
163.11317	1.9
165.07034	2.9
169.10139	6.0
171.08054	2.8
171.11658	12.7
173.09605	81.7
175.11169	8.5
175.14722	3.1
180.09370	2.1
183.11632	2.0
185.09584	3.2
185.13206	18.1
189.12630	4.2
195.11690	5.9
195.13680	2.1
197.09610	2.6
198.10245	2.5
199.09641	14.1
203.14284	8.7
211.63571	1.7
213.12733	32.6
231.13791	51.6
232.14149	1.9
233.11705	19.6
241.19525	2.7
249.14844	2.9
259.20505	8.4
267.15787	3.7
269.17502	10.6
291.15588	1.8
333.24176	6.8
527.37354	9.1
674.69604	1.8
715.59711	2.0
724.44946	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
55.05505	12.4
57.03435	13.1
67.05503	18.5
69.03423	4.1
69.07060	5.9
69.21512	12.2
71.04991	3.9
74.52559	2.0
76.14503	1.6
78.39320	1.7
79.05486	20.2
81.03416	80.5
81.07051	20.6
82.03766	2.0
83.04977	11.7
83.08610	21.3
85.02913	12.6
91.05476	22.3
93.07021	12.8
95.04961	27.6
95.08601	6.9
97.02883	2.7
97.06541	5.0
97.10172	4.7
105.07029	16.5
107.04964	8.6
107.08607	8.1
109.06477	2.1
109.10152	4.6
111.04446	3.2
111.08087	6.1
113.06008	2.4
115.05457	3.0
117.07034	4.7
117.94083	1.6
119.08566	13.0
120.08127	2.4
121.06494	3.1
121.10133	6.9
123.08021	3.0
125.09651	5.1
129.07010	11.8
131.08575	12.0
132.81599	2.1
133.06493	4.3
133.10094	5.7
137.09564	3.2
142.07751	2.7
145.06502	3.0
145.10132	3.3
147.08067	3.4
147.11697	8.0
149.09636	6.8
157.10146	13.4
163.03908	7.1
163.11136	2.4
164.04176	2.2
165.12758	4.2
166.87752	2.1
175.11188	9.9
193.12213	31.7
211.11551	3.1
211.13260	15.9
249.14883	3.1
267.15894	100.0
273.14969	5.4
285.16925	20.2
339.23242	2.3
349.21503	3.0
367.22705	9.2
385.23761	10.9
433.25629	15.6
441.26260	5.5
459.27377	71.8
460.28036	4.5
477.28458	45.1
478.28690	2.8
514.47369	2.3
514.65875	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.05511	12.9
57.03433	5.1
57.07076	2.3
61.02909	3.5
65.03938	2.2
67.05500	61.7
69.03421	3.0
69.07066	7.7
70.43795	1.0
71.04988	48.9
71.43350	1.1
79.05489	19.5
81.03416	2.5
81.07052	100.0
83.04964	6.8
83.08611	8.0
85.02899	2.1
85.06543	10.7
91.03949	1.7
91.05474	31.2
93.07036	19.8
95.04950	2.9
95.08597	9.6
97.02882	2.4
97.06543	7.8
97.10152	1.5
99.08110	1.3
105.07017	15.0
107.08592	16.6
109.06499	2.3
109.10148	6.8
111.08092	3.8
117.07040	4.1
119.08551	1.6
121.10153	5.1
123.11694	20.9
125.09658	1.3
131.08557	5.4
133.10123	27.0
134.01930	1.0
134.18738	1.0
135.08109	1.8
135.11711	4.8
149.13257	8.8
151.11172	13.7
158.44305	1.1
159.11668	7.8
169.12218	1.9
177.12744	3.1
183.13765	7.5
187.13339	5.9
195.13794	3.4
201.14839	1.6
209.17783	1.1
213.14767	1.4
214.55797	1.1
225.15015	1.6
257.17572	2.9
269.17535	5.0
301.20081	19.9
425.28857	4.0
437.28790	4.0
451.30527	8.5
463.30457	7.7
469.31561	68.8
470.31540	4.3
483.32968	10.3
495.33136	45.6
496.33344	2.4
496.40164	1.4
527.35748	51.3
528.36273	3.1
639.36639	2.1
724.39441	16.8
725.37097	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59214	3.7
59.89828	3.3
70.86877	7.3
85.49049	3.1
89.68636	3.2
90.43147	3.4
97.98474	3.3
139.46318	3.3
185.01399	3.0
185.04219	33.4
197.29082	3.4
199.46413	3.7
203.03181	5.9
203.80499	3.3
221.04260	6.3
225.70453	3.5
284.34988	3.7
318.37268	3.7
365.08432	100.0
366.08997	5.4
383.09473	52.2
451.95676	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	725.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
65.03926	0.3
66.04707	0.3
67.05490	0.3
68.49572	0.2
72.01322	0.2
79.05495	0.5
81.03365	0.2
81.07039	0.3
85.02900	0.3
91.05469	0.6
94.04175	1.3
99.99773	0.2
101.95985	0.2
104.40992	0.2
107.04940	0.2
111.04401	0.2
115.05466	1.0
117.07010	0.9
119.04919	0.5
122.03630	5.0
135.04355	0.5
137.05960	100.0
138.06287	1.8
143.04915	7.2
143.06058	0.4
145.02837	0.3
145.06468	0.6
151.03894	12.8
151.04979	1.1
152.04207	0.3
163.03893	0.5
167.07042	1.7
175.03951	0.5
175.07480	1.7
177.05499	0.5
191.07028	0.2
203.07124	1.3
205.08588	1.9
207.06548	0.7
249.08983	0.2
327.12222	6.7
357.13272	54.1
358.13547	2.1
387.14294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	3.9
59.41427	2.4
69.03432	6.6
69.22366	6.0
69.22775	12.7
79.05508	4.5
81.03429	7.7
81.07056	6.9
85.02893	5.1
91.05476	3.6
93.07075	4.0
93.90746	3.0
95.04967	4.9
97.02896	4.8
105.07061	8.1
107.08554	2.7
119.08550	3.0
126.09935	3.0
127.03931	5.0
141.05244	3.7
159.11699	4.9
161.13359	3.4
179.58148	2.6
199.14914	3.1
230.50943	3.0
241.10469	19.7
245.06221	3.9
259.16745	6.1
277.09708	2.6
286.17200	3.5
406.25681	3.0
421.21954	10.1
442.84940	3.6
460.27377	3.8
463.22928	37.6
477.28162	4.8
478.28903	6.4
489.20856	3.0
507.22003	100.0
508.21860	6.5
548.10486	2.8
569.78082	2.7
647.64526	2.7
681.34473	23.0
725.33398	82.8
726.33093	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	725.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.8
53.35963	0.5
60.59320	0.5
67.05454	0.8
69.03363	2.8
78.62080	0.6
79.05459	0.7
81.03352	2.1
81.07024	1.3
85.02882	2.5
85.06483	0.7
87.00748	1.8
91.05408	1.2
93.07007	1.2
95.08558	0.6
97.02819	1.7
98.22691	1.2
99.04401	0.8
105.01789	0.7
105.07027	3.6
107.08519	0.8
109.02821	1.3
115.03908	0.5
119.08553	2.6
121.10107	0.8
127.03837	1.8
131.08455	1.0
133.10020	2.2
141.05202	2.8
149.13181	0.6
159.11609	1.4
161.13187	1.5
201.16302	0.6
219.04903	0.6
227.05119	0.6
241.10434	16.5
243.33281	0.5
259.16672	7.5
271.04221	0.8
287.16144	1.3
343.48624	0.6
403.20837	1.0
421.21933	12.5
445.21649	0.7
454.87555	0.5
463.22968	31.7
464.23337	2.0
464.29694	0.6
507.21970	100.0
508.22488	4.8
563.27667	0.8
681.34534	4.9
725.33423	44.4
726.33411	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	725.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05513	1.6
57.03437	1.6
58.03815	0.5
61.02919	3.9
67.05489	4.8
69.03424	3.0
69.07094	0.9
69.33223	0.5
69.86005	1.8
71.04992	1.8
73.02914	2.9
79.05473	4.9
81.03414	3.7
81.07056	3.9
83.04986	1.3
83.08598	0.5
85.02896	3.5
91.03943	1.0
91.05466	5.5
91.05927	0.6
93.07028	3.9
95.04981	2.4
95.08594	1.7
96.18040	0.5
97.02904	4.0
97.06509	1.2
98.22802	0.9
101.02371	1.4
104.23492	0.5
105.07037	3.5
107.04984	0.6
107.08609	2.0
107.54406	0.5
109.02888	1.0
110.53891	0.5
116.49420	0.5
117.07028	1.3
119.08581	2.9
121.10169	1.7
122.45090	0.5
127.03934	1.1
129.07018	1.5
131.08580	0.7
133.10155	1.7
135.91342	0.5
137.09669	0.7
145.10136	0.6
147.11693	2.4
149.09647	1.6
157.10027	0.7
171.11754	0.7
175.11272	1.0
187.39432	0.7
193.12225	1.2
243.08438	2.6
247.13106	1.9
267.15991	0.6
283.15201	3.2
465.20978	8.8
465.26981	0.8
501.22934	8.3
563.31287	0.7
725.37067	100.0
726.37537	8.3
736.01288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	6.7
79.05506	1.1
91.05469	4.6
93.03400	9.7
95.04955	0.5
95.13491	0.5
98.22706	1.7
107.04945	7.7
111.04431	41.0
112.04789	0.8
117.03358	0.4
119.04950	2.3
123.04448	0.7
131.04906	0.7
135.04402	34.1
137.05998	2.4
139.03885	84.4
140.04253	1.0
152.06285	0.6
153.05463	0.8
163.03873	15.5
165.07034	1.1
167.08548	4.4
169.06390	0.5
175.03972	0.6
177.06981	0.7
181.04935	100.0
182.05339	2.3
187.07584	0.5
193.06487	1.0
195.08038	9.2
195.09668	0.8
197.05966	1.3
199.07513	2.6
211.07542	1.3
211.69153	0.4
212.00919	0.4
213.09088	7.6
221.06021	0.5
223.07475	0.5
225.05424	3.4
239.07011	4.9
241.08612	1.6
243.06473	3.2
249.05280	0.5
257.08051	0.6
257.81705	0.4
267.06485	2.2
285.07523	9.2
286.07819	0.8
313.06995	1.7
331.07910	2.2
364.64374	0.4
380.56360	0.4
380.61401	0.5
392.66556	0.5
447.10306	1.0
465.11691	1.6
475.10092	0.7
483.12714	0.7
484.33011	0.4
493.11249	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	726.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34425	1.1
53.03943	2.1
55.01873	1.7
55.05506	24.1
57.03429	6.8
59.05002	1.3
67.05496	6.0
69.03419	3.6
69.81084	1.1
69.81413	3.3
71.04996	2.9
73.06224	1.0
73.06551	9.1
76.69749	1.0
78.90455	1.1
79.05487	12.7
79.45509	1.0
81.07058	12.9
83.04970	51.2
85.06533	2.1
91.05466	35.2
92.05798	1.6
93.07033	16.0
95.04957	21.1
95.08596	5.4
97.06528	2.9
101.06004	57.1
103.05461	1.6
105.07015	41.4
107.04939	1.8
107.08586	6.3
109.06492	6.2
115.05430	11.3
116.06246	4.0
117.07001	65.3
118.07407	1.3
119.04934	5.5
119.07057	8.3
119.08550	10.6
121.06504	4.7
121.10129	5.5
123.08051	3.0
127.20497	1.3
128.06197	17.1
129.06990	34.7
130.07793	10.2
131.08545	63.5
132.05672	1.2
132.08852	1.6
133.06456	4.8
133.10101	8.6
135.08052	2.9
141.06943	6.2
142.07755	9.0
143.08539	41.7
144.09280	1.3
145.06436	8.5
145.10104	54.8
147.08038	5.2
147.11630	1.9
149.09598	26.4
153.06961	5.4
154.07742	3.4
155.06012	3.0
155.08537	27.8
156.09315	8.2
157.10103	23.0
158.07245	3.8
159.08040	5.1
159.11656	5.6
161.09573	9.1
161.13200	2.2
163.11183	2.4
165.07021	6.3
167.08553	1.2
167.10674	10.7
169.10092	6.5
170.10878	3.6
171.08023	13.5
171.11656	11.0
172.08786	1.5
173.09593	100.0
173.75377	1.4
174.10103	1.8
175.07532	1.5
175.11151	4.2
175.14754	2.2
180.09297	4.8
183.08078	2.9
183.10124	6.3
183.11662	2.7
184.07294	3.2
184.08807	1.6
185.09627	3.0
185.11656	1.1
185.13225	33.4
186.13580	1.4
187.11148	4.0
189.09019	1.7
189.12811	5.9
191.10620	2.6
195.11650	18.9
198.10315	2.9
201.11211	6.1
201.12839	1.7
203.14320	12.3
209.11685	7.8
213.12715	85.7
214.12967	2.1
230.15494	1.3
231.13771	54.5
232.14087	2.0
233.11714	24.9
248.16570	1.2
249.14827	4.0
255.13837	1.5
273.14853	5.6
278.97440	1.2
291.15848	3.5
313.17899	1.3
315.16403	1.2
391.21085	4.8
471.32901	1.3
474.80148	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32617	0.3
54.70251	0.3
56.05025	0.5
58.06596	0.5
60.07871	0.4
60.08160	6.5
66.24061	0.3
67.05485	0.8
71.07364	3.7
71.43348	0.3
72.82475	0.3
75.09940	0.3
79.05465	0.6
81.07037	0.4
86.09698	30.3
91.05426	0.3
93.07038	0.6
98.98458	3.5
104.10719	1.5
117.07003	0.3
119.08617	0.3
124.99992	21.8
132.51958	0.3
143.01013	0.5
184.07324	100.0
185.07681	1.0
269.17392	0.4
275.54407	0.3
360.43796	0.3
426.66614	0.3
491.34906	0.3
569.38873	0.3
666.09723	0.3
726.43353	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32617	0.3
54.70251	0.3
56.05025	0.5
58.06596	0.5
60.07871	0.4
60.08160	6.5
66.24061	0.3
67.05485	0.8
71.07364	3.7
71.43348	0.3
72.82475	0.3
75.09940	0.3
79.05465	0.6
81.07037	0.4
86.09698	30.3
91.05426	0.3
93.07038	0.6
98.98458	3.5
104.10719	1.5
117.07003	0.3
119.08617	0.3
124.99992	21.8
132.51958	0.3
143.01013	0.5
184.07324	100.0
185.07681	1.0
269.17392	0.4
275.54407	0.3
360.43796	0.3
426.66614	0.3
491.34906	0.3
569.38873	0.3
666.09723	0.3
726.43353	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39913	1.0
53.03938	2.2
55.01864	1.1
55.05502	8.9
57.03432	13.1
57.07041	1.2
61.02903	2.8
65.03928	2.1
67.05496	51.8
69.07058	18.8
70.09394	1.0
71.04979	2.7
73.02901	1.0
79.05482	31.8
79.05941	1.7
81.07047	58.3
83.04970	4.3
83.08611	10.5
85.06508	2.4
91.03973	1.3
91.04941	1.5
91.05463	15.1
93.07034	43.9
95.04958	6.4
95.08018	2.1
95.08593	26.5
97.06518	8.0
97.10121	1.0
98.22594	2.0
99.08052	2.3
105.07012	8.6
107.08573	26.4
109.06535	1.5
109.10144	9.4
111.08064	4.6
117.07014	6.8
119.08556	4.7
121.10126	18.2
123.11687	4.1
125.09627	1.0
128.55756	1.0
131.08545	9.1
133.10100	7.2
135.11649	10.1
139.11194	1.2
145.10072	2.2
147.11679	3.5
149.13235	23.2
159.11681	11.1
161.13176	2.5
163.14761	2.2
173.13261	2.4
177.12733	5.3
184.07394	1.2
187.14703	1.1
195.13770	9.2
213.14796	1.6
243.21042	2.6
251.28343	1.3
261.22147	7.8
267.15811	2.1
269.17429	91.6
270.17776	3.9
317.24698	2.0
335.25757	61.4
336.26169	2.4
437.34213	1.1
455.35135	1.5
513.81934	1.3
529.38831	100.0
530.39258	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	727.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62070	0.3
78.95553	2.4
120.96638	14.4
132.96616	4.8
138.96512	0.4
150.97670	10.3
158.98161	0.3
162.85849	0.3
162.97580	0.8
174.97627	0.4
180.97287	2.5
180.98911	3.0
186.97717	0.8
192.97278	2.4
192.98735	1.4
194.99040	0.5
204.98715	2.1
208.97127	0.4
210.98598	0.9
222.98410	2.6
234.98468	0.6
241.00674	2.3
252.99573	1.7
265.00720	0.7
283.01999	16.2
295.00482	1.6
301.01700	3.2
313.02914	5.8
325.02106	1.4
327.03510	0.4
331.02652	1.7
337.01535	0.4
343.02774	4.1
347.09052	0.3
355.02625	1.2
385.03781	9.4
403.05560	16.9
404.05460	0.7
407.10800	0.5
427.05927	1.2
445.06558	100.0
446.06653	4.0
463.06940	2.0
474.29080	0.3
475.07175	1.7
487.07916	1.2
505.08023	21.2
506.08200	1.2
547.09729	0.9
565.10693	0.8
727.16650	11.8
728.16687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
54.21394	0.9
55.05512	1.2
60.23360	1.0
65.03925	1.7
67.05502	1.5
69.03418	4.1
69.09647	7.0
71.04993	1.4
71.09333	0.9
79.05484	1.3
81.03419	6.7
81.07047	1.3
85.02914	4.2
89.03893	1.7
90.56850	0.8
91.05474	22.7
93.07116	1.3
95.04969	1.3
97.02892	2.9
105.01886	1.3
109.02885	2.7
118.59549	0.9
119.04942	31.6
121.10092	1.2
127.03900	3.5
131.04933	1.7
134.03508	1.0
135.04436	1.3
137.05960	18.6
143.04927	0.9
145.02841	1.4
145.04950	1.6
147.04402	27.2
149.05940	1.3
151.03903	14.5
151.05045	1.8
157.03967	3.9
159.02882	1.2
163.03885	2.6
163.07388	1.5
165.05414	2.2
165.09148	4.4
167.07043	12.4
175.03893	49.4
176.04346	1.6
177.05486	0.9
179.07068	2.2
187.07607	1.4
191.10651	1.8
205.12238	4.0
207.06514	100.0
208.06868	3.4
209.08107	1.4
215.10664	1.2
243.13811	1.2
257.15460	1.0
280.28748	1.1
299.20126	6.3
321.11234	2.2
339.12286	3.8
351.10757	7.5
357.13440	4.5
362.37564	1.1
369.11731	4.2
428.06329	1.0
519.45673	1.0
727.50684	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	727.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.05511	1.1
57.03426	2.3
59.04991	0.8
61.02921	4.4
67.05504	2.6
69.03425	3.1
69.07066	0.4
71.05005	1.5
73.02911	3.1
79.05492	3.1
81.03416	4.3
81.07054	3.0
83.01295	0.5
83.04983	1.0
83.08629	0.9
85.02902	4.7
85.06569	0.6
87.04462	0.7
91.03971	2.4
91.05467	3.2
93.07040	3.1
93.52474	0.4
95.04984	1.6
95.08636	1.0
97.02886	4.8
97.06553	0.6
99.04424	0.6
101.02397	1.4
105.07011	2.1
105.95310	0.4
107.04955	1.1
107.08588	1.2
109.02916	1.1
109.06517	0.8
109.10197	0.6
115.03976	0.6
117.07032	1.0
117.18063	0.4
119.08619	1.2
121.10153	1.8
123.08067	0.9
127.03954	1.6
129.07089	0.6
131.08592	1.1
133.10139	1.1
135.11708	0.7
137.06004	1.8
145.10152	1.3
147.11761	0.8
149.09669	1.5
157.10162	0.8
157.41017	0.4
163.11147	2.5
173.09657	0.5
175.11192	0.9
184.07341	0.7
185.04234	0.5
193.12238	0.8
201.05518	1.6
204.06546	0.6
209.11810	0.5
225.14948	0.6
234.06752	0.8
243.08408	2.3
262.06473	0.5
277.08725	0.9
283.15164	4.2
290.05875	1.0
305.08270	1.3
325.10837	1.0
337.10727	3.7
355.11731	0.5
467.18817	10.1
469.20792	0.7
471.90594	0.5
501.23050	7.0
559.18738	1.1
727.35071	100.0
728.35559	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	727.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01876	0.8
55.05523	1.0
57.03434	2.2
59.05005	1.2
61.02927	5.1
67.05501	2.5
69.03429	1.9
69.07092	0.9
69.88023	0.5
70.14628	1.2
71.04998	1.5
73.02913	1.9
75.89365	0.5
79.05500	3.0
81.02991	0.8
81.03403	4.0
81.07055	3.0
83.01313	0.6
83.04955	0.8
83.08627	1.1
85.02899	3.8
91.03944	2.7
91.05484	2.4
93.07050	2.3
95.04970	2.2
95.08633	1.3
97.02888	3.5
97.06497	0.8
98.23376	0.7
99.04481	0.9
101.02372	1.8
105.07043	2.5
107.04945	0.9
107.08598	1.4
109.02864	0.9
111.08108	0.9
119.08598	1.2
121.10166	1.9
122.06056	1.4
123.08077	0.9
127.03930	1.7
131.08575	1.2
133.10136	1.8
136.07643	0.8
137.09775	0.5
145.10168	1.1
147.11659	1.1
148.07715	0.7
149.09651	2.0
157.10130	1.4
163.11218	1.8
172.03964	2.1
174.84158	0.6
181.12164	0.6
185.04285	0.6
193.12273	1.0
204.06561	4.6
215.11958	0.6
228.64339	0.6
243.08499	2.2
249.10674	0.6
267.16241	0.9
277.09836	0.8
283.15128	3.6
285.12402	1.2
339.13434	0.8
339.17471	0.8
456.15619	1.1
467.18860	7.6
469.20615	0.9
501.23035	10.3
559.44653	0.6
565.31323	0.6
572.20038	1.7
683.27490	0.8
727.35028	100.0
728.35339	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	728.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05454	0.9
81.88923	0.3
87.01891	0.3
89.03382	0.5
89.03901	5.5
95.04887	0.4
98.23504	0.9
107.04940	1.5
117.03357	5.0
120.44406	0.3
135.04402	9.6
145.02831	5.9
163.03880	22.4
164.04184	0.5
196.07445	0.4
198.09196	0.6
213.07750	0.6
223.06230	0.6
224.07005	4.4
225.07750	0.4
226.08641	2.2
227.09251	0.4
228.10118	2.2
240.06570	3.4
241.07251	0.8
251.05702	2.5
252.06516	3.2
253.07301	0.5
254.08109	7.7
255.08812	2.5
256.09637	9.8
268.09579	0.9
269.06805	1.2
270.07648	0.5
279.05203	1.1
280.05960	2.6
282.07672	1.6
283.08362	2.0
284.09134	42.5
285.09433	1.6
290.04437	0.4
294.07635	0.5
296.05478	0.9
296.09183	0.4
297.06378	0.7
298.07001	0.5
308.05405	1.3
311.07758	2.4
312.08609	73.4
313.08929	3.2
326.06485	0.5
330.09665	0.4
340.08115	26.0
341.08585	1.1
358.09140	14.5
359.09561	0.7
359.14529	0.3
368.07660	1.4
386.08731	1.7
391.10397	0.3
404.09744	0.7
520.12329	7.1
521.12311	0.3
548.11694	6.0
549.11786	0.3
566.12854	100.0
567.13281	7.2
722.60510	0.4
758.95227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01859	1.9
55.05503	1.9
57.03426	2.1
57.59949	0.6
58.98329	0.7
59.50945	0.7
61.02917	2.8
66.95379	0.6
68.99807	0.9
69.03424	13.6
69.66517	1.5
69.66909	1.5
71.04967	1.1
71.22952	0.7
73.02898	2.7
81.03412	8.7
83.08624	1.8
85.02896	33.3
87.00822	17.8
87.01329	1.3
91.03907	0.7
93.33308	0.6
97.02887	15.4
99.04442	5.3
105.01857	25.1
109.02872	11.3
117.01849	1.3
125.74226	0.6
127.03901	24.8
129.01823	0.7
137.78508	0.7
143.08633	0.7
145.04922	9.3
157.10144	3.0
159.02840	3.6
166.12331	0.7
167.08588	2.3
171.07945	0.7
181.10106	1.1
185.09628	2.4
189.04001	0.7
190.21466	0.7
194.07196	0.7
195.08023	6.1
195.11797	1.0
197.09587	1.4
198.06877	0.8
198.48564	0.8
209.09628	3.3
209.13405	0.8
213.03992	3.2
213.09087	54.4
214.09438	2.0
221.09641	0.7
222.10286	1.0
223.11110	5.6
224.11975	1.5
227.10594	3.5
227.17838	1.0
231.04985	8.8
231.10173	1.8
235.11153	1.4
236.12007	1.6
237.12753	2.0
237.16383	1.8
240.11432	2.9
247.14641	0.8
249.05998	4.4
250.13464	1.8
253.07167	1.8
255.13791	12.3
255.17448	5.6
265.15869	12.9
266.16464	0.7
268.14536	1.6
271.08154	0.8
281.15393	1.3
283.16895	82.5
284.17206	4.0
301.17957	100.0
302.18277	4.7
325.17871	1.4
475.64166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.9
58.06338	0.2
58.06617	0.5
60.08158	6.0
65.19022	0.2
67.05492	0.5
70.06601	0.2
70.25229	0.2
71.07367	3.8
79.05482	0.2
80.80003	0.3
86.09696	31.8
87.09991	0.3
88.11533	0.2
91.05460	0.5
93.07009	0.2
95.08634	0.2
98.98458	3.6
104.10734	2.1
105.07014	0.2
124.99993	21.8
143.01045	0.2
150.24268	0.2
184.07323	100.0
185.07690	1.4
203.32816	0.2
261.87607	0.2
275.03644	0.2
282.44827	0.2
588.55847	0.2
648.49030	0.2
728.45221	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97160	0.2
55.05496	0.3
56.05027	0.8
58.06602	0.5
59.07415	0.2
60.08161	5.6
62.32166	0.2
64.66206	0.2
67.05489	0.6
71.07363	3.6
79.05472	0.4
81.07047	0.8
85.93311	0.3
86.09697	30.5
87.10029	0.3
93.07046	0.4
98.23473	0.6
98.98464	3.7
104.10713	2.2
105.07016	0.7
107.08536	0.2
109.10136	0.4
124.99995	22.0
126.00351	0.2
133.10095	0.3
143.01065	0.4
184.07324	100.0
185.07639	0.9
204.31389	0.3
215.78812	0.3
218.73677	0.2
253.14397	0.4
270.14142	0.2
271.15280	0.4
335.25885	0.3
395.53842	0.3
400.51340	0.2
449.97708	0.2
451.60324	0.3
531.36377	0.4
534.20026	0.3
728.44879	3.4
729.44293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	24.5
57.03423	21.7
57.76687	9.0
65.03943	9.4
67.05496	82.0
69.07066	28.2
77.37985	8.7
79.05477	96.2
79.08329	9.7
81.07037	59.9
83.04986	24.1
83.08616	10.1
85.02917	10.5
86.09689	24.5
87.91774	8.1
88.36905	8.7
91.05476	77.4
93.07049	85.2
95.04973	17.2
95.08607	24.1
97.06535	15.0
97.10171	12.0
105.07024	82.5
107.08583	60.3
109.10135	21.9
117.06975	15.7
119.08563	66.7
121.10133	26.8
124.99948	16.4
125.09731	9.7
131.08571	30.9
133.10121	44.9
135.11653	64.6
145.10130	35.0
147.11678	41.6
149.13245	10.7
155.61795	7.8
155.63165	9.9
157.10107	13.8
159.11713	21.2
161.13269	28.3
163.11201	12.9
171.11682	16.0
173.13329	14.4
175.14856	11.8
181.12305	12.9
184.07335	86.1
185.13342	9.7
219.24136	8.6
241.19490	25.7
253.14420	10.1
255.15886	100.0
259.20615	85.2
333.24081	43.2
439.32489	10.9
457.34003	10.5
513.35571	55.6
531.36542	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	23.7
56.89840	3.0
57.03427	10.4
59.44588	3.1
61.02907	3.0
65.03962	4.0
67.05497	60.8
69.07049	19.4
69.07889	6.3
69.08296	16.1
79.05481	31.7
80.34960	2.8
81.07047	69.6
81.07505	5.8
83.08616	11.7
85.02915	5.8
85.06538	4.0
91.05465	10.9
93.07031	27.0
95.08593	100.0
96.08994	3.4
97.02911	3.8
97.06535	5.2
97.10152	3.3
99.08099	2.7
105.07034	10.1
107.08582	14.6
109.10133	28.7
119.08579	7.3
121.10152	8.9
123.11668	4.2
131.08557	4.8
133.10136	5.6
135.11690	5.3
137.13257	4.1
145.10149	3.1
145.72888	2.9
149.13239	4.3
161.13258	11.1
173.13248	4.5
179.14360	6.8
181.15706	2.5
184.07321	3.0
227.08743	3.2
261.22156	10.7
271.19003	74.2
329.90927	3.9
335.25760	77.9
336.26056	5.2
404.11020	3.4
531.40363	61.4
532.40857	4.6
715.94757	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	729.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17406	0.6
51.94580	0.9
60.66986	0.7
65.03942	2.1
67.05506	0.8
69.06013	5.2
69.80543	0.7
79.05486	3.3
80.05025	1.5
89.03913	1.5
91.05501	2.4
92.05025	2.1
93.07049	3.3
94.06560	7.9
95.04980	1.3
96.08145	1.2
98.23439	1.4
103.05460	2.7
105.05766	1.1
106.06581	1.3
108.04488	2.7
108.08104	9.0
116.04968	5.2
118.06567	2.1
119.07341	0.7
120.04451	8.4
120.08104	24.0
122.06026	16.4
124.07594	3.2
132.08138	1.4
134.06027	3.9
136.07570	17.3
138.05516	2.2
138.09152	1.4
144.04437	8.3
144.08063	1.0
144.37009	0.8
146.05997	11.9
148.07562	38.1
150.05573	0.9
152.07101	1.6
158.06044	1.1
160.03889	4.2
160.07657	1.4
160.81566	0.8
162.05467	4.9
164.07036	4.6
166.08673	2.5
167.07260	0.9
170.06000	0.8
172.03925	36.1
172.07628	1.3
174.05524	2.4
175.06401	0.9
176.07144	2.3
182.08339	0.9
182.09703	1.8
183.09171	1.0
184.09990	1.7
186.05551	2.6
186.09143	1.4
187.08624	1.1
188.07109	1.4
190.04967	25.7
195.09225	1.6
196.09973	1.4
197.07141	1.2
197.10686	4.5
199.08665	1.3
199.12302	4.5
204.06546	53.7
205.06946	1.4
207.09044	1.2
208.09933	1.9
209.10797	4.1
210.07646	1.7
210.09259	2.9
210.11305	1.4
211.07048	0.9
211.08644	4.5
211.12332	2.3
212.09360	4.2
213.10271	1.9
220.10030	1.1
221.10690	1.2
222.11400	1.5
223.08714	2.8
223.12358	2.3
224.09442	2.7
225.06844	0.8
225.10204	19.5
226.10971	1.8
227.08324	1.2
227.11755	29.9
228.12245	0.9
233.10802	1.4
234.07544	1.4
234.11488	1.1
235.08710	2.3
236.09367	5.7
237.10181	5.8
238.07213	0.9
238.11066	2.9
239.11765	5.5
240.12486	1.2
241.09735	2.8
241.13383	2.4
243.11475	1.1
247.08711	0.8
249.10204	3.8
250.11064	3.3
251.08150	1.1
251.09196	0.9
251.11835	8.5
252.08504	5.0
252.12738	1.0
253.09697	10.5
253.13420	2.0
255.11218	6.4
262.08566	0.8
263.08237	3.0
263.11758	1.4
264.08868	8.7
265.09805	3.0
266.10547	1.5
267.07965	0.8
267.11337	4.1
269.12823	27.3
269.15686	1.3
271.10730	18.1
273.12534	1.6
277.09766	5.0
278.10474	4.0
279.11261	21.3
280.11914	1.0
281.09647	1.3
281.12863	4.7
283.10568	5.1
284.11493	6.2
285.12231	7.6
286.13196	2.2
287.10730	1.5
287.13885	26.9
289.13519	0.9
291.11276	1.8
293.09222	2.0
293.12851	1.2
294.10095	1.6
295.10785	3.0
295.30237	0.8
296.11612	1.2
297.12363	8.3
297.14941	0.8
299.11456	1.3
300.11526	1.2
301.12357	1.0
302.12952	1.8
305.09384	1.6
307.10709	10.4
308.11346	1.0
309.12433	1.8
311.11118	1.0
311.14331	1.7
312.15216	1.6
313.11893	3.4
314.12930	4.9
315.13675	5.7
316.10800	1.7
316.14520	3.2
317.15375	1.2
319.10718	1.1
321.12546	2.0
323.10175	11.4
324.11539	1.0
325.11774	6.9
326.12997	2.5
326.16571	2.3
327.13870	1.4
327.17294	1.2
328.10898	6.9
328.14529	3.7
329.11758	1.5
329.15433	1.8
330.12607	1.9
330.16104	4.8
331.13300	1.1
331.16953	2.3
339.13474	16.6
340.14655	1.9
341.11343	3.7
341.15225	1.1
342.12357	10.7
342.15955	1.5
343.13153	7.5
343.16882	1.0
344.13943	1.6
352.14590	0.9
354.12476	2.2
354.16302	1.7
355.13464	2.9
356.13937	8.7
356.17551	1.1
357.14667	4.6
358.15356	5.1
359.12299	8.8
359.16269	0.8
365.11313	16.9
366.11816	1.0
366.15988	1.2
367.13205	5.1
367.16968	1.0
368.13818	1.2
369.14767	1.8
370.11697	1.2
370.15598	9.2
371.15958	2.5
372.17203	2.2
378.18274	1.8
380.14032	2.2
382.11786	5.6
382.16016	0.9
383.12393	4.0
384.13431	5.8
384.16550	1.2
384.17584	1.8
385.13907	9.1
386.14862	3.2
386.18863	3.1
387.15564	1.2
388.16641	2.4
390.18045	4.2
394.15622	2.2
396.17267	1.3
397.14056	5.1
398.14963	25.4
399.15735	29.3
400.16458	3.6
401.13547	1.2
402.18073	2.1
404.16107	7.3
411.06268	1.7
411.11826	31.1
412.11920	1.6
412.16791	3.4
413.13541	1.3
414.18207	6.4
416.10373	1.6
416.16003	30.2
417.16467	1.8
422.16977	3.2
428.16245	3.4
429.12897	2.5
430.17651	5.0
431.18134	1.3
440.15936	10.3
443.14355	7.9
446.17026	14.0
448.18707	1.5
449.19711	1.3
458.17078	39.3
459.17401	1.3
490.19830	4.6
491.20847	1.2
492.21912	0.9
500.18417	1.1
505.22452	0.8
523.23035	1.4
547.23633	1.5
551.23053	1.3
565.24341	7.6
575.22937	2.3
581.28345	0.8
593.23883	17.9
594.24567	1.1
609.26953	3.3
611.24921	24.3
612.25433	1.6
625.26685	2.1
635.25232	5.0
653.26038	22.8
654.26697	1.6
655.24042	9.5
669.25836	1.3
679.23932	10.2
697.24976	100.0
698.25385	6.9
729.27277	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	729.276
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11996	0.8
65.03931	2.7
67.05495	2.3
70.14421	0.8
79.05486	5.9
79.39539	0.9
80.05019	1.9
85.02921	0.9
89.03931	1.5
91.05483	3.6
92.04993	1.9
93.05775	1.4
93.07030	5.1
94.06563	12.4
95.04961	1.6
98.22705	1.8
103.05452	4.1
105.05809	1.5
106.06556	2.1
108.04487	3.9
108.08119	15.7
110.06043	1.3
110.09688	1.5
113.96030	1.0
116.04980	7.0
117.05759	1.3
118.06544	4.0
119.07330	0.9
120.04444	12.1
120.08099	33.2
122.06019	23.2
124.07571	4.4
132.08096	1.3
134.06018	5.4
136.07564	22.4
136.08620	1.2
138.05501	3.3
138.09172	1.8
144.04431	12.3
144.08102	1.0
146.05991	15.7
148.07550	52.3
150.05524	1.0
152.07071	2.6
155.07312	1.0
158.06068	1.2
160.03931	6.6
160.07559	1.7
162.05490	8.0
164.07092	5.7
166.08632	2.7
172.03923	48.8
172.07602	2.4
173.04314	1.3
174.05492	4.8
176.07109	2.2
178.05006	1.1
181.08920	1.5
182.08322	1.7
182.09750	1.8
183.09187	2.7
184.07744	1.0
184.09912	2.3
185.06935	1.0
186.05557	4.0
186.09172	2.2
187.08624	1.2
188.07133	2.2
190.04970	34.6
194.09697	1.4
195.09193	1.5
196.07492	0.9
196.09969	1.7
197.10674	6.1
198.11237	1.0
199.08627	1.6
199.12314	5.3
200.10825	1.0
204.06538	72.1
205.06947	1.6
207.09239	2.4
208.09851	2.9
209.10669	5.0
210.09151	4.9
210.11403	2.1
211.08615	7.7
211.10258	0.8
211.12263	4.3
212.09306	5.8
213.10216	2.7
219.09059	0.9
221.06926	1.1
221.10757	2.9
222.11572	2.6
223.08690	3.4
223.12294	5.5
224.09421	3.3
225.10188	25.2
226.10893	3.4
227.08356	1.8
227.11765	41.3
228.12134	2.0
233.10655	2.1
234.07434	1.2
235.08698	2.6
236.09332	9.5
237.10207	9.1
238.11015	4.4
238.31464	0.9
239.11765	7.8
241.09735	2.9
241.13351	3.0
247.08594	1.0
248.09439	1.3
249.10190	6.2
250.11058	4.2
251.08197	1.9
251.11792	13.8
252.08670	7.1
253.09712	14.8
253.13396	2.2
255.11285	8.6
262.08557	1.0
262.11035	1.7
263.08093	4.7
263.11786	2.8
264.08890	13.1
265.09546	5.8
266.10510	1.8
267.11209	6.8
269.12811	31.7
271.10742	27.1
273.12381	1.6
277.09775	5.4
278.10391	5.4
279.08139	1.5
279.11255	31.2
280.11884	1.6
281.09573	1.6
281.12860	5.6
283.10724	8.6
284.11502	8.2
285.12234	8.5
286.13123	3.4
287.13892	29.5
289.09781	1.6
289.13162	1.2
291.11200	1.7
293.09219	2.8
293.12515	1.4
294.09937	1.8
295.10757	3.3
296.11603	1.3
297.12320	11.0
298.10519	1.4
299.14044	1.7
300.11575	2.9
301.12570	1.5
302.12769	2.5
305.09109	2.1
307.10690	20.1
309.12219	2.0
311.10452	1.8
311.14038	2.7
312.11774	1.3
312.15009	2.9
313.12180	5.0
314.12930	7.0
315.13553	6.5
316.10989	1.7
316.14355	4.4
317.15421	1.4
321.12225	3.9
323.10284	15.4
323.13730	1.2
325.11798	8.5
326.12845	2.4
326.16531	2.3
327.13760	2.3
327.17227	2.5
328.10797	7.4
328.14407	5.3
329.11569	2.5
329.15448	1.8
330.12305	2.2
330.15939	4.8
331.17035	4.3
337.11786	1.9
338.12933	2.1
339.13593	17.0
340.14365	3.6
341.11612	5.2
341.15375	1.7
342.12305	17.5
342.15842	2.0
343.13068	9.5
343.16751	1.9
344.13800	3.0
344.17603	1.4
352.14545	2.3
353.12680	1.5
354.12051	1.5
354.15897	3.3
355.13379	4.0
355.17148	1.8
356.13892	14.3
357.14755	6.0
358.15576	7.8
359.12320	8.4
365.11307	19.5
366.12042	1.9
366.16086	1.6
367.12860	7.1
368.17651	2.5
369.14688	2.2
370.11588	1.4
370.15512	10.8
371.16153	3.8
372.17099	3.4
378.18036	2.7
380.13831	2.8
381.11923	1.2
382.11523	7.6
383.12216	6.3
384.13126	8.0
385.14035	9.9
386.14529	5.0
386.18723	3.4
388.16437	2.8
390.18399	6.3
394.15308	3.2
397.13950	4.2
398.14935	36.6
399.15750	43.7
400.16476	5.7
401.13412	1.7
402.18149	2.9
404.16116	9.3
411.11816	35.1
412.11813	1.5
412.16895	4.6
413.13092	1.3
414.18082	8.4
416.16006	38.8
417.16467	3.1
422.17267	4.8
423.13336	1.2
428.15961	5.7
429.12720	2.5
430.17673	6.6
435.17786	1.2
440.15985	14.9
443.14243	7.8
446.16995	14.8
448.18787	2.1
454.17972	1.4
458.17065	46.4
459.17545	3.5
472.18427	1.4
478.19611	1.2
490.19803	6.2
500.18051	1.5
521.13135	1.0
521.25726	1.5
523.23389	3.2
547.23810	1.8
551.22638	2.9
565.24255	10.0
575.22522	3.6
583.25946	1.2
593.14874	1.5
593.23846	20.0
594.24323	1.5
606.21082	1.9
609.26904	3.2
611.24957	31.8
612.25171	2.5
625.26215	2.2
635.24927	5.7
636.24518	1.1
653.25977	23.6
654.25995	1.5
655.24121	10.1
656.24530	1.2
668.25952	1.0
679.23883	9.4
697.24951	100.0
698.25458	9.1
729.26941	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.276
Annotation	Unknow
Peak:m/z	Relative Intensity
79.82988	5.9
95.45395	5.6
108.08063	9.3
116.05058	6.9
120.04482	6.8
120.08121	23.8
122.06039	20.8
136.07599	16.1
140.42688	5.7
144.04460	14.4
146.05954	10.9
148.07581	43.4
164.07065	7.6
172.03947	52.5
174.05542	6.3
190.04918	22.6
204.06552	100.0
215.62117	6.2
222.68390	7.0
225.10239	15.6
227.11734	19.3
237.10181	7.3
239.11809	8.1
251.11702	9.3
253.09753	17.6
262.23904	9.2
264.08792	9.8
269.12848	22.0
271.10828	13.0
279.11179	14.5
283.10831	6.7
285.12454	10.8
287.13953	30.4
289.14084	8.4
307.10690	9.1
330.15869	6.7
339.13470	28.0
342.12173	10.4
343.13095	9.1
356.13831	10.2
365.11108	9.8
367.12689	7.5
398.15012	24.5
399.15637	30.7
411.11771	23.1
416.15988	22.3
440.15656	10.0
443.14557	17.5
446.17075	15.2
458.16904	30.1
518.17603	6.1
530.49750	5.9
565.23810	12.4
593.23547	20.6
611.24695	25.3
653.25391	23.7
667.78308	5.8
679.23657	12.5
697.14288	8.9
697.25128	95.2
698.24561	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	729.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.4
67.05482	1.2
79.05479	2.4
80.04979	0.8
89.03886	2.1
91.05467	3.0
92.04990	1.1
92.62560	0.7
93.05757	0.9
93.07026	2.5
94.06557	4.8
95.04949	0.9
96.58865	0.7
98.22647	0.9
102.80643	0.6
103.05441	2.6
106.06562	1.3
107.04934	0.7
107.07370	0.8
108.04449	2.0
108.08099	5.6
116.04979	6.4
118.06525	1.8
120.04472	4.4
120.08090	16.4
122.06019	17.7
130.06522	0.8
131.36571	0.7
132.04414	0.9
132.08089	0.8
134.05989	3.6
136.06584	1.4
136.07568	17.9
138.05479	1.6
144.04430	12.5
146.05986	7.6
148.07550	24.0
152.07060	1.9
158.09601	1.1
160.03958	2.7
161.06992	1.0
162.05499	6.2
164.07062	2.8
166.08623	1.2
167.07285	1.3
172.03920	53.8
173.04155	1.4
174.05475	2.6
176.07037	1.7
180.08000	1.0
182.09761	1.0
183.09167	1.7
185.10704	0.8
186.05481	1.6
186.09067	0.8
190.03273	1.1
190.04970	15.5
194.09834	0.9
196.09941	0.8
197.10675	2.9
198.07620	0.9
199.08656	1.2
199.12291	3.1
204.06537	100.0
205.06876	1.7
207.09122	1.1
208.09798	2.2
209.10718	1.8
210.09158	2.2
210.11412	1.6
211.08656	2.9
211.12187	1.3
212.09392	2.5
213.10126	1.4
223.12230	1.8
224.09372	1.9
225.10204	11.0
226.10954	1.0
227.11755	18.5
235.08627	1.4
236.09337	3.2
237.10172	5.4
238.10959	1.6
239.11812	3.9
241.09642	1.4
241.13313	1.0
249.10168	2.7
250.10928	1.6
251.08046	0.9
251.11757	5.2
252.08496	4.7
253.09596	7.1
253.13434	1.3
255.11273	4.1
261.10135	0.9
263.08133	1.3
263.11761	1.0
264.08847	5.2
265.09796	3.3
266.10553	1.5
266.89410	0.6
267.11252	2.4
269.12778	13.8
271.10712	9.2
273.12292	1.6
275.11694	0.8
277.09689	1.6
278.10468	1.8
279.11285	10.3
280.11795	0.8
281.09586	0.7
281.12866	3.5
283.10739	4.5
284.11490	3.8
285.12259	5.1
286.13043	1.4
287.13855	19.4
289.12967	0.9
293.09232	1.3
295.10822	2.5
297.12311	6.1
300.11401	0.8
302.12936	1.5
307.10709	4.9
309.12357	0.7
311.14020	2.8
312.15027	1.6
313.12344	1.5
314.12787	2.6
315.13446	4.5
316.10828	1.7
316.14359	2.2
321.12164	1.3
323.10217	6.0
323.13821	1.0
325.11823	4.6
326.12851	1.2
326.16562	1.5
328.10709	3.7
328.14426	4.0
329.11728	0.9
329.15479	0.9
330.12439	0.9
330.16058	2.4
331.16583	1.9
337.12048	1.2
339.13391	30.1
340.14163	1.8
341.11383	2.2
341.15076	1.8
342.12299	9.1
342.16046	1.6
343.12991	5.0
344.13806	2.0
352.14355	1.3
353.12784	1.0
354.12271	1.6
355.13293	2.0
356.13986	6.5
357.14578	3.9
358.15540	3.7
359.12262	5.3
365.11166	2.0
366.16049	0.9
367.12814	3.2
369.14874	1.6
370.11630	0.7
370.15479	4.8
371.16086	1.6
372.16910	1.3
378.17990	1.5
380.13770	1.9
382.11615	3.8
383.12384	3.3
384.13165	4.5
384.17212	1.4
385.13928	6.5
386.14832	2.9
386.18839	1.8
387.15582	1.1
390.17990	2.7
398.14938	16.8
399.15744	20.4
400.16153	2.0
401.13467	1.4
402.18430	1.3
404.15970	4.4
411.11780	8.6
412.16586	2.0
414.18127	3.8
415.15067	0.9
416.15942	15.5
417.16678	0.9
422.16614	1.3
428.15973	2.3
430.17609	3.3
440.15961	5.5
443.14462	13.4
446.17065	8.7
447.17142	0.9
448.18347	0.9
458.17047	31.6
459.17245	1.9
463.56265	0.7
472.18756	1.3
490.19696	9.2
547.23187	0.9
565.24438	5.2
575.22534	1.6
593.23755	11.8
594.23969	0.9
606.20966	0.9
608.22650	1.0
609.27051	3.4
611.15295	1.0
611.25000	18.0
612.24866	1.1
625.25763	1.2
629.25647	1.1
635.24738	2.8
643.27948	0.9
653.25958	15.8
654.26611	1.2
655.23816	8.0
656.24854	0.9
679.24017	5.7
685.28894	4.5
697.24957	56.7
698.25391	5.8
729.25806	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	729.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95050	0.4
53.03934	0.7
55.05516	1.0
57.03433	2.1
59.05000	0.5
61.02924	3.9
67.05496	2.9
69.03428	3.2
69.07069	0.9
69.74614	1.9
70.35510	0.5
71.04992	0.9
73.02908	3.2
79.05495	2.8
83.04993	0.9
83.08623	0.8
85.02890	5.2
87.04488	0.7
88.86337	0.4
91.03958	2.6
91.05470	3.4
93.07016	2.3
94.52785	0.4
95.04967	2.0
95.08600	1.2
97.02894	2.8
99.04498	0.6
101.02394	1.4
103.03940	0.5
105.07043	2.2
107.04927	0.6
107.08614	1.6
108.08121	0.6
109.02931	1.1
111.04430	0.5
111.08112	0.9
119.08604	1.9
120.04414	0.5
120.08059	1.1
121.10152	1.9
122.06062	0.9
123.11729	0.6
123.26505	0.5
127.03886	1.0
128.06149	0.5
129.07069	1.1
131.08553	1.5
133.10146	1.3
136.07564	1.1
147.11711	1.3
148.07610	2.2
149.09637	1.4
157.10133	1.4
163.03969	0.7
172.03928	2.5
175.11203	1.0
177.05504	1.2
190.05037	2.3
193.12296	2.9
197.15321	0.7
202.21672	1.1
203.05394	0.6
204.06506	3.4
206.75168	0.6
225.10124	0.6
225.14833	0.5
227.11809	1.4
243.08406	2.4
251.12544	1.4
253.09821	0.9
267.16006	1.4
269.12906	1.1
271.10825	0.8
279.11279	1.0
283.10764	0.6
283.15140	3.4
285.12329	0.6
287.13974	1.7
307.10458	0.5
316.56799	0.6
339.13498	1.2
342.12375	0.7
347.90210	0.5
365.11505	0.6
398.15094	1.6
399.15845	1.2
411.11966	1.3
416.16245	1.6
446.17029	0.8
458.17270	1.7
469.20419	9.4
501.22928	9.0
502.23309	0.8
608.22052	0.8
611.24426	1.0
639.28790	0.8
653.25922	1.0
697.25018	4.4
698.24878	1.0
729.36621	100.0
730.36963	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	729.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
57.03436	1.4
61.02924	5.3
66.45612	0.6
67.05497	4.5
69.03417	3.2
71.04984	5.8
73.02905	2.9
78.63086	0.6
79.05493	2.9
83.08615	1.3
85.02874	4.5
85.06564	0.8
91.03948	2.9
91.05472	3.6
93.07040	2.9
95.08608	1.2
97.02878	4.5
99.04443	1.4
101.02378	2.5
105.07059	1.3
107.08601	2.0
109.10134	0.9
123.11692	1.3
127.03924	1.1
131.08553	1.0
133.10155	2.0
135.11722	1.0
149.13257	0.9
151.11134	1.5
159.11723	1.1
166.13916	0.6
183.13808	1.3
187.13350	1.1
243.08484	2.2
257.17590	1.4
267.15747	2.4
276.54916	0.9
323.18152	0.8
441.21152	0.8
485.23486	16.5
729.40210	100.0
730.40503	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	730.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32579	0.8
57.03444	0.9
60.04523	1.3
60.54498	0.9
61.02923	2.0
67.05486	0.9
69.03423	2.9
70.06586	1.1
70.49311	1.8
71.04958	0.8
75.09066	0.9
77.03931	1.7
79.05479	3.7
81.03405	5.1
81.07067	1.0
85.02901	10.7
89.03906	1.2
91.05468	4.3
94.04180	2.3
95.04964	4.0
97.02876	4.0
97.88062	0.7
103.05455	1.1
105.03391	2.2
105.07047	1.3
106.06589	0.9
107.04929	8.5
109.02868	1.7
111.04445	3.6
115.05445	8.4
115.56664	0.8
117.03339	1.3
117.07020	12.9
122.03628	2.9
123.04457	2.0
124.05223	2.1
125.44597	0.9
127.03915	2.5
128.06216	1.9
129.07005	5.9
131.04909	4.5
131.08580	2.5
133.02843	4.9
133.06459	1.9
135.04390	3.5
137.05968	74.9
138.06297	1.0
139.03886	3.2
141.07018	1.5
143.04924	10.1
144.05681	3.3
145.02821	1.8
145.04965	3.1
145.06482	28.3
147.04410	1.4
147.08017	2.0
149.02295	1.4
151.03889	1.7
153.05431	1.9
155.06003	5.8
156.05701	6.5
157.06526	6.3
157.07600	1.2
158.07159	1.4
159.04391	1.1
159.08014	6.0
160.05182	15.7
161.05991	4.9
162.07678	1.8
163.03914	11.0
163.07556	1.9
167.07030	29.1
169.07687	1.0
172.05185	3.2
173.05972	46.5
173.85451	0.8
174.06641	3.8
175.07532	100.0
176.07811	2.6
177.05490	1.4
179.03435	5.0
180.08684	2.9
181.04939	2.5
181.06400	1.0
183.06570	1.7
184.05124	0.9
185.06047	1.2
187.07532	36.9
188.07970	1.6
189.09096	6.4
190.06233	20.6
190.07852	1.5
191.06886	2.2
193.08545	1.4
202.06212	2.4
203.07027	5.5
205.08586	79.2
206.08926	2.0
207.10194	1.4
209.05885	1.3
217.08586	35.5
218.07207	1.6
218.09109	1.3
219.10231	2.6
221.04468	2.4
221.06216	1.5
221.09709	1.8
223.09587	0.9
231.08162	1.1
232.08929	1.0
233.09613	3.4
234.06667	1.6
235.07628	1.9
235.09622	49.5
236.09911	1.4
239.07057	2.4
241.08548	3.4
247.09682	5.4
249.05551	1.0
249.09006	4.1
251.05396	1.0
252.07880	1.3
261.09131	4.3
263.07025	1.4
265.04880	2.6
265.10709	45.6
269.08026	1.7
277.05301	1.3
277.08646	3.2
278.09387	3.7
279.06339	1.2
281.04544	1.0
281.11688	1.5
283.05951	1.1
285.07483	6.9
286.08206	1.4
289.08475	1.6
291.09894	0.9
293.04602	0.9
293.11737	2.9
295.05920	1.9
295.09390	1.2
300.09937	8.2
301.10745	3.1
306.08838	1.2
309.11136	3.2
311.05493	2.0
312.06091	1.7
313.10742	2.1
321.03864	1.0
321.11194	5.0
323.09024	1.6
338.11340	1.2
339.05154	1.6
339.12088	1.4
341.13773	5.9
353.13821	12.8
354.14182	1.3
371.14880	30.1
403.61169	1.0
422.68256	0.9
546.29785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32579	0.8
57.03444	0.9
60.04523	1.3
60.54498	0.9
61.02923	2.0
67.05486	0.9
69.03423	2.9
70.06586	1.1
70.49311	1.8
71.04958	0.8
75.09066	0.9
77.03931	1.7
79.05479	3.7
81.03405	5.1
81.07067	1.0
85.02901	10.7
89.03906	1.2
91.05468	4.3
94.04180	2.3
95.04964	4.0
97.02876	4.0
97.88062	0.7
103.05455	1.1
105.03391	2.2
105.07047	1.3
106.06589	0.9
107.04929	8.5
109.02868	1.7
111.04445	3.6
115.05445	8.4
115.56664	0.8
117.03339	1.3
117.07020	12.9
122.03628	2.9
123.04457	2.0
124.05223	2.1
125.44597	0.9
127.03915	2.5
128.06216	1.9
129.07005	5.9
131.04909	4.5
131.08580	2.5
133.02843	4.9
133.06459	1.9
135.04390	3.5
137.05968	74.9
138.06297	1.0
139.03886	3.2
141.07018	1.5
143.04924	10.1
144.05681	3.3
145.02821	1.8
145.04965	3.1
145.06482	28.3
147.04410	1.4
147.08017	2.0
149.02295	1.4
151.03889	1.7
153.05431	1.9
155.06003	5.8
156.05701	6.5
157.06526	6.3
157.07600	1.2
158.07159	1.4
159.04391	1.1
159.08014	6.0
160.05182	15.7
161.05991	4.9
162.07678	1.8
163.03914	11.0
163.07556	1.9
167.07030	29.1
169.07687	1.0
172.05185	3.2
173.05972	46.5
173.85451	0.8
174.06641	3.8
175.07532	100.0
176.07811	2.6
177.05490	1.4
179.03435	5.0
180.08684	2.9
181.04939	2.5
181.06400	1.0
183.06570	1.7
184.05124	0.9
185.06047	1.2
187.07532	36.9
188.07970	1.6
189.09096	6.4
190.06233	20.6
190.07852	1.5
191.06886	2.2
193.08545	1.4
202.06212	2.4
203.07027	5.5
205.08586	79.2
206.08926	2.0
207.10194	1.4
209.05885	1.3
217.08586	35.5
218.07207	1.6
218.09109	1.3
219.10231	2.6
221.04468	2.4
221.06216	1.5
221.09709	1.8
223.09587	0.9
231.08162	1.1
232.08929	1.0
233.09613	3.4
234.06667	1.6
235.07628	1.9
235.09622	49.5
236.09911	1.4
239.07057	2.4
241.08548	3.4
247.09682	5.4
249.05551	1.0
249.09006	4.1
251.05396	1.0
252.07880	1.3
261.09131	4.3
263.07025	1.4
265.04880	2.6
265.10709	45.6
269.08026	1.7
277.05301	1.3
277.08646	3.2
278.09387	3.7
279.06339	1.2
281.04544	1.0
281.11688	1.5
283.05951	1.1
285.07483	6.9
286.08206	1.4
289.08475	1.6
291.09894	0.9
293.04602	0.9
293.11737	2.9
295.05920	1.9
295.09390	1.2
300.09937	8.2
301.10745	3.1
306.08838	1.2
309.11136	3.2
311.05493	2.0
312.06091	1.7
313.10742	2.1
321.03864	1.0
321.11194	5.0
323.09024	1.6
338.11340	1.2
339.05154	1.6
339.12088	1.4
341.13773	5.9
353.13821	12.8
354.14182	1.3
371.14880	30.1
403.61169	1.0
422.68256	0.9
546.29785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.2
55.01863	8.2
57.03431	5.2
61.02924	5.2
68.99791	4.7
69.03059	2.7
69.03429	37.3
71.04968	4.2
73.02891	5.2
74.71940	1.8
81.03413	29.6
84.99735	1.7
85.02898	100.0
86.23889	1.6
87.00822	45.2
95.04996	1.9
97.02892	41.5
99.04435	12.9
105.01149	3.7
105.01860	76.8
109.02871	41.4
117.01855	2.5
127.03911	87.7
127.04864	4.2
129.01849	3.4
133.06415	2.7
137.05965	7.5
144.63235	2.2
145.04945	35.4
147.02811	2.4
147.08034	5.1
149.09578	10.0
159.02887	11.0
179.03387	2.6
189.03972	3.4
189.12729	13.0
201.12770	7.7
213.03947	9.3
229.15746	2.3
231.04990	33.0
231.79402	2.1
239.07031	2.3
241.74832	1.9
246.60159	1.7
249.05968	17.4
253.07028	3.4
269.04407	2.1
285.22089	28.5
295.05899	8.2
321.03857	3.4
347.09332	2.2
393.10175	2.7
426.09592	1.9
489.07883	3.4
507.19824	6.1
569.19965	9.2
670.21130	4.3
731.25336	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02596	1.0
53.03941	1.4
62.79529	1.2
68.99805	1.0
69.03416	2.7
69.60893	3.7
78.19878	1.0
81.03415	2.5
85.02899	8.2
87.00829	3.7
91.05509	0.9
91.55311	0.9
97.02902	3.0
99.04460	1.5
105.01865	8.3
109.02899	3.4
122.03671	3.4
127.03914	7.7
128.04224	1.1
131.04919	1.2
137.05977	24.2
139.03880	1.0
144.59998	0.9
145.05000	3.1
149.09540	1.0
153.05487	1.1
161.06009	1.4
163.96252	1.1
164.63518	0.9
183.06511	1.5
184.04791	1.2
185.04234	1.1
203.05263	3.0
231.05042	2.5
232.05388	1.0
249.05864	1.7
285.07590	1.1
285.22354	1.3
286.22394	1.7
295.06125	2.4
356.83240	1.0
407.14896	2.6
425.15826	1.9
507.19873	17.9
508.20245	1.6
569.19916	27.8
731.25153	100.0
732.25488	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	731.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01890	1.5
55.22320	1.4
55.22640	1.5
67.05485	2.4
79.05484	5.5
80.04989	2.8
91.05463	5.1
93.05770	1.9
93.07047	5.5
94.06564	8.4
95.04965	2.9
95.08610	1.6
96.08124	1.5
98.23495	4.4
99.08547	1.4
103.05453	4.8
106.06541	4.1
107.07343	2.7
108.08094	16.4
113.86610	1.5
116.04993	2.3
117.05737	3.1
118.06531	6.2
120.04439	2.8
120.08089	41.1
122.06017	30.3
122.09645	4.0
124.07550	3.8
132.08070	1.9
134.05965	3.5
134.09569	1.4
136.07571	30.4
138.05505	2.3
138.09129	1.9
144.04462	8.7
146.05988	15.1
146.09605	2.3
148.07555	100.0
149.07965	2.8
150.05602	2.1
150.09129	21.4
152.07054	30.7
160.07571	3.6
162.05490	6.4
162.09135	3.1
164.07045	28.2
166.08617	18.6
172.03920	43.1
172.05321	3.1
174.05479	2.1
174.09149	3.7
188.07001	2.4
190.04980	17.2
192.10191	2.2
197.10722	5.9
198.11462	11.8
199.12338	4.8
204.06534	84.6
205.06883	2.9
206.08087	3.0
208.09631	2.5
209.10699	5.2
210.09477	1.9
210.11508	7.3
211.08490	1.6
211.12251	18.1
212.09161	2.3
212.13049	6.4
213.10025	2.0
218.08192	2.2
220.10027	1.9
221.10684	3.2
222.11494	1.8
223.12260	8.4
224.09221	3.4
224.13115	2.7
225.10194	14.8
225.13786	4.6
226.10983	10.0
227.11815	6.5
229.13289	2.2
234.11522	2.2
235.08652	5.1
235.12325	4.9
236.09328	2.0
237.10182	15.0
238.10973	17.9
239.11778	17.7
240.12396	2.4
241.09653	2.0
241.13293	4.7
246.07773	1.7
248.09464	4.7
249.10207	19.5
250.10927	10.7
251.08014	2.8
251.11763	29.6
252.08673	11.7
252.12378	7.9
253.09732	3.8
253.13319	10.2
254.10527	2.2
255.11267	8.1
256.12021	11.7
259.14426	2.4
262.10895	5.4
263.11752	41.6
264.08942	6.9
264.12317	8.9
265.09824	12.1
265.13281	16.2
266.10422	10.0
266.13641	1.5
267.11249	26.9
268.11880	1.9
269.12665	8.0
271.11072	2.8
271.14417	11.5
273.12143	2.0
275.11850	2.9
276.12573	2.6
277.09647	8.4
277.12955	2.3
278.10449	6.3
279.11246	52.8
280.08890	1.9
280.11771	8.3
281.12741	19.4
282.10208	2.0
282.13388	3.1
283.10724	7.3
283.14325	2.9
284.11313	11.2
285.12277	58.8
286.12860	3.4
287.13916	6.9
288.31332	1.8
289.15582	3.1
291.11221	21.7
292.11914	8.8
293.09393	3.7
293.12686	20.7
295.10690	4.2
295.14508	1.8
296.11438	6.7
297.12314	67.0
298.12918	4.7
299.13974	5.0
302.41174	1.7
305.09186	2.1
307.10727	6.4
309.12259	36.5
310.12949	6.0
311.10184	5.4
311.13824	8.4
313.11685	3.4
315.13400	3.0
316.14368	2.5
319.10721	19.7
321.12305	18.9
322.12827	2.0
323.10114	13.5
323.13519	2.4
325.11783	20.4
325.15204	2.8
327.13452	9.6
328.14407	3.3
329.15158	1.9
330.15985	4.2
337.11783	73.6
338.12292	6.0
339.13425	14.1
341.11212	2.0
341.14972	2.6
342.16025	2.2
344.17639	4.5
351.13315	5.3
353.14890	2.8
355.12808	15.8
356.13693	3.6
357.14505	7.1
358.15240	2.1
359.12259	3.4
365.10922	2.0
367.12759	2.2
369.14404	11.5
370.15286	1.8
371.16003	3.6
372.16815	3.8
373.17572	2.0
379.12643	1.9
384.17346	2.6
385.13864	7.4
386.18466	4.0
388.16248	2.5
397.14014	3.4
398.14569	2.4
402.18420	1.9
404.19910	7.9
406.17303	1.9
411.11990	8.9
412.16486	2.2
413.13248	2.9
414.17969	5.0
415.14758	2.0
416.15839	2.2
427.10968	1.7
428.19641	3.2
430.17636	13.7
432.19156	7.1
433.99286	2.2
441.12442	2.3
442.17444	3.9
443.14273	4.8
444.19168	4.4
445.15933	6.1
446.20587	5.6
448.18689	20.6
449.19077	2.6
459.13928	9.1
460.18503	20.4
462.20050	2.3
463.20831	2.1
464.21722	2.1
472.18570	9.7
474.20047	9.7
480.21399	3.1
488.21414	2.3
490.19397	4.3
491.20331	7.1
492.21255	10.6
504.21637	2.8
508.21228	1.9
516.21191	4.4
518.19305	8.6
518.25531	1.9
520.20605	4.6
522.22144	5.3
532.20630	13.2
533.21295	2.4
534.22028	2.0
535.19464	20.1
536.20099	22.2
548.20294	2.1
562.18140	9.8
563.19073	8.3
564.20313	5.0
567.25720	3.7
576.19757	63.0
577.19983	14.6
578.21381	14.4
595.25226	8.1
608.22284	88.1
609.22876	18.9
610.23395	1.9
613.26624	16.2
655.27563	9.0
657.24719	2.3
681.25653	10.1
699.26477	52.9
700.26324	5.3
731.27063	3.0
731.39075	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	731.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64250	1.5
54.94373	1.5
65.03935	2.9
67.05487	1.8
67.29681	1.7
69.27105	5.1
69.27487	2.9
77.26310	1.4
79.05493	5.1
83.78339	1.6
91.05476	5.5
93.07040	5.0
94.06575	9.4
103.05438	3.7
106.06561	4.9
107.07318	1.9
108.08131	15.8
110.09689	2.7
116.04984	3.9
118.06550	3.4
119.07450	1.6
120.04424	4.1
120.08103	36.0
122.06027	32.8
122.09686	4.5
132.08141	2.1
134.06030	2.9
134.09692	2.4
136.07565	29.9
138.05481	3.1
138.09186	2.5
146.06000	14.5
148.07558	98.8
149.07939	3.5
150.09109	10.5
152.07071	23.2
158.06084	2.0
160.07544	2.7
162.05481	3.3
164.07095	13.3
165.07848	2.8
166.08632	27.5
172.03937	23.8
174.05647	1.7
174.09158	4.5
190.04980	18.1
194.08302	1.8
197.10721	4.0
198.11565	5.8
204.06540	31.0
208.09763	2.8
209.10735	3.6
210.11485	8.2
211.08778	2.3
211.12257	16.4
212.13075	5.6
213.10226	3.1
223.08640	1.7
223.12276	11.9
224.09428	4.3
224.13046	3.5
225.10216	13.6
225.13855	4.2
226.11000	6.8
227.11827	5.4
229.09804	2.2
229.13400	2.1
235.08679	4.6
235.12361	4.5
236.09491	6.7
237.10240	18.0
237.13962	2.3
238.10944	15.5
239.11754	16.3
240.12450	2.1
241.13359	2.1
248.09477	4.2
249.10202	14.2
250.10977	11.4
251.08040	2.8
251.11749	30.2
252.08748	14.4
252.12555	6.4
253.09758	5.5
253.13310	7.5
255.11172	10.8
256.12054	10.2
257.12863	1.9
259.14600	2.1
262.11102	7.4
263.07980	2.4
263.08429	2.5
263.11783	38.1
264.08914	6.8
264.12402	10.7
265.09821	15.2
265.13275	20.2
266.10507	10.3
267.11221	27.8
268.11948	2.1
269.12839	6.5
271.10760	3.9
271.14417	9.6
273.12488	1.8
275.11749	2.2
276.09039	2.1
276.12473	2.4
277.09702	5.9
277.13266	1.8
278.10458	8.2
279.11252	54.4
280.11975	10.2
281.12842	17.3
282.13574	3.0
283.10782	9.4
283.13727	1.7
284.11523	14.8
285.12326	61.8
286.12601	2.7
287.13959	7.4
289.15341	3.5
291.11243	27.0
292.11984	7.5
293.09503	3.6
293.12817	22.5
295.10767	5.6
296.11542	7.3
297.12305	61.2
298.12906	3.3
299.13950	4.8
305.09225	3.2
307.10751	7.4
309.12329	28.5
310.13016	8.2
311.10303	4.9
311.13818	6.3
312.10999	2.1
313.11786	3.1
315.13577	3.8
316.14426	3.0
319.10782	20.0
321.12320	22.5
323.10248	17.5
324.10944	3.0
325.11783	24.7
326.12372	2.0
327.13477	10.3
328.14194	2.2
330.15912	3.2
330.19516	2.8
337.11813	83.9
338.12326	5.4
339.13474	12.3
341.14890	3.5
342.15845	2.0
344.17767	3.8
351.13464	4.2
355.12915	3.8
356.13824	3.0
357.14539	4.5
358.15457	2.5
359.12277	4.8
367.12970	2.8
369.14511	7.4
370.15320	3.2
371.16107	2.4
372.16946	4.5
384.17209	2.0
385.13766	10.0
386.18478	4.8
388.16309	3.2
400.16501	4.8
402.17963	2.7
404.19980	3.2
411.11819	9.9
414.18182	4.7
416.15674	2.1
418.21628	3.1
427.11572	2.0
428.19476	3.0
429.12720	2.5
430.17465	13.7
431.18304	3.8
432.19260	9.0
442.17761	4.0
443.14465	3.6
444.19330	3.9
445.15900	3.8
446.20700	6.5
448.18588	27.6
449.19397	3.6
456.19266	2.5
460.18680	24.8
462.20224	3.4
472.18454	10.7
474.20493	9.4
486.19394	2.0
488.21878	3.7
490.19653	3.8
491.20450	10.3
492.21219	10.0
504.21164	2.9
516.21130	3.6
518.19202	5.6
519.19623	3.3
520.20605	4.6
532.12769	2.0
532.20679	14.7
535.19446	30.1
536.20227	34.0
548.20435	4.7
559.28467	2.2
562.18195	9.3
563.18793	11.3
564.19409	9.0
567.25989	5.7
569.29218	2.9
576.19720	100.0
577.20135	15.5
578.21417	13.3
595.25708	13.1
608.22339	22.9
609.23090	9.4
610.23016	2.6
613.26459	20.5
637.26154	2.6
655.28003	7.9
681.25555	13.0
699.26416	70.8
700.26617	4.9
731.34930	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	731.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16338	1.7
55.05510	2.1
67.05488	4.9
69.03414	2.9
70.99652	3.9
79.05473	8.7
80.05014	1.9
81.03403	3.8
81.07016	2.3
83.08559	2.1
85.02889	5.6
91.05460	7.4
93.07029	6.1
94.06554	8.0
97.02908	2.2
103.05444	6.1
105.01819	2.3
106.06521	7.0
107.07310	2.5
108.08114	17.3
109.02908	2.4
109.10176	2.5
118.06577	3.0
119.07313	2.2
120.04459	4.8
120.08099	36.1
122.06017	30.3
122.09638	2.7
124.07581	4.8
127.03903	3.9
134.06000	5.4
134.09634	3.2
135.04373	2.7
136.07567	32.9
138.05489	4.2
138.09148	3.0
145.02766	2.4
146.05989	14.9
146.09654	2.5
148.07559	100.0
150.09108	12.8
152.07034	23.5
160.07544	3.2
162.05542	3.2
163.03935	5.6
164.07069	13.9
166.08624	21.3
172.03932	20.9
176.07079	2.7
182.09709	2.6
190.04980	22.6
192.06601	2.3
193.99792	1.8
197.10771	4.2
198.11494	6.7
199.12199	2.4
204.06528	31.9
208.09703	2.6
209.10730	6.8
210.09206	3.0
210.11504	10.0
211.12230	21.7
212.09372	2.5
212.13004	2.8
213.10165	4.0
215.11682	2.1
221.10609	3.6
223.08749	3.5
223.12259	12.6
224.09276	5.2
225.10216	12.7
225.13748	3.8
226.10988	10.1
227.11765	5.5
229.09769	2.4
235.08624	4.9
235.12335	5.0
236.09338	6.2
237.10208	22.7
238.10950	21.2
239.11737	16.7
240.12512	2.8
248.09431	2.3
249.10309	10.7
250.10956	10.9
251.07913	2.2
251.11766	32.5
252.08705	16.2
252.12457	8.8
253.09685	6.0
253.13295	8.7
255.11237	10.2
256.12009	7.8
257.12726	2.4
262.11005	7.3
263.07965	2.5
263.08890	2.8
263.11783	28.0
264.08917	6.7
264.12506	8.7
265.09744	15.0
265.13193	14.5
266.10538	12.1
266.13220	2.4
267.11230	28.5
268.11749	4.5
269.12820	7.4
271.14346	10.0
273.12131	2.9
277.09659	8.3
277.13184	2.3
278.10461	12.2
279.11243	52.5
280.11923	7.0
281.12811	18.3
282.13449	2.6
283.10648	8.6
284.11484	13.5
285.12320	59.0
285.15414	4.4
287.13852	3.7
289.15320	4.5
291.11292	22.4
292.11917	6.8
293.09500	3.9
293.12766	20.5
294.09921	2.4
295.10754	4.4
296.11514	7.7
297.12299	68.6
299.13937	4.5
307.10715	8.4
308.11212	2.2
309.12329	31.5
310.13071	5.4
311.10242	7.0
311.13852	7.4
313.11853	3.2
315.13480	2.8
319.10724	17.5
321.12277	23.0
323.10196	19.2
325.11774	20.4
327.13388	8.3
328.14307	5.3
330.15909	4.8
337.11801	63.6
338.12415	3.7
339.13379	12.2
344.17361	4.1
351.13220	3.9
355.12958	2.9
356.13904	3.4
357.14395	4.5
358.15262	2.6
358.19257	3.4
367.12930	4.7
369.14264	3.0
370.15363	6.8
372.16974	3.5
383.32294	2.1
385.13907	9.1
386.18527	5.2
388.16190	3.5
401.17322	3.3
402.17810	3.5
404.19531	8.1
411.11545	10.7
412.16571	3.1
413.13193	3.2
414.18256	2.4
418.16757	3.3
427.11063	2.6
428.19714	4.7
429.12570	2.4
430.17520	15.4
431.17517	3.0
432.19031	9.1
442.17566	4.0
443.14328	3.6
444.19025	5.5
445.16034	4.9
446.20679	6.1
448.18637	27.2
449.19113	3.3
460.18594	26.0
472.18854	10.8
474.20148	10.3
477.84561	2.2
478.20245	2.4
480.21292	3.0
488.21524	4.4
490.19583	5.5
491.20386	9.5
492.21057	9.5
504.21140	3.3
508.20578	2.6
516.20941	4.4
518.18988	9.3
519.19940	2.3
520.20667	7.4
532.20929	15.0
533.21393	4.7
535.19440	31.3
536.20117	34.0
548.20160	5.7
562.17761	9.2
563.18939	11.2
564.19830	9.1
567.25568	6.7
576.19696	89.5
577.20013	17.5
578.21747	14.0
595.25568	11.3
608.22369	22.6
609.22925	13.4
613.26660	23.7
637.26093	8.0
641.31055	9.1
655.27057	11.2
681.25183	14.3
699.26538	69.7
700.26617	7.0
731.34106	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	731.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05503	0.8
67.05493	0.7
69.03428	0.4
69.64857	1.5
79.05480	3.6
81.07053	1.0
83.04963	1.2
86.09690	0.3
86.23825	0.4
91.05465	4.5
93.07037	4.9
95.04959	3.4
95.08601	0.7
105.07014	2.8
107.08592	0.9
109.02837	0.5
109.06503	3.9
115.05447	0.6
117.07008	1.3
119.08575	1.2
121.06425	0.4
121.10137	0.8
123.04195	0.9
123.08073	0.7
128.06233	1.1
129.06985	1.1
130.07841	0.6
131.08551	1.8
133.10138	0.4
135.08084	0.6
141.05231	4.4
142.07782	0.8
143.08569	1.7
145.10065	1.6
149.02325	0.5
149.09557	1.6
153.07001	0.4
153.50238	0.4
155.08580	0.8
157.10071	0.8
161.09633	0.5
165.07042	0.4
171.07951	0.6
173.09634	1.4
179.36630	0.4
193.04909	0.4
195.11821	0.4
198.77086	0.4
213.12694	0.7
223.09430	1.2
241.10440	24.1
242.10773	0.6
253.12027	1.2
313.14017	8.9
433.24213	0.4
471.23453	0.6
531.25580	100.0
532.25958	6.3
731.42853	1.9
731.56555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04597	0.4
53.03931	0.8
55.01855	0.6
55.05498	1.3
57.03423	2.0
61.02919	5.6
67.05498	5.3
69.03427	3.1
69.07062	1.5
70.08396	1.0
73.02895	3.6
73.91815	0.4
79.05492	3.6
81.03410	1.5
81.07044	5.5
83.08594	0.7
85.02901	4.4
91.03934	2.1
91.05479	1.9
93.07034	4.1
95.04974	1.0
95.08604	2.5
97.02888	4.6
97.06529	0.7
99.04436	1.1
99.08101	0.5
101.02378	1.1
105.07063	0.7
107.08588	2.5
109.02899	0.8
109.10126	1.0
117.07068	0.5
119.08529	0.6
121.10146	1.9
123.11759	0.4
127.03915	1.2
131.08582	0.7
133.10086	0.5
147.11716	0.5
149.13295	1.6
159.11678	0.7
185.04330	0.5
235.13092	0.8
243.08446	1.5
335.82761	0.5
453.20892	5.8
519.29218	5.0
731.43256	100.0
732.43573	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	732.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67621	0.8
65.03932	10.8
69.13194	6.5
79.05502	2.6
82.51540	0.9
89.03911	2.2
90.35135	0.9
91.05463	6.8
93.03398	17.1
95.04989	1.4
95.59463	0.8
98.23438	1.7
99.64250	0.9
100.88744	0.9
107.04948	18.8
109.05251	1.4
110.06053	4.5
111.04433	48.7
117.03361	1.5
119.04925	2.8
120.04457	5.8
121.02917	1.7
123.04383	2.1
132.04453	1.7
135.04404	46.9
137.02339	5.1
137.06007	2.2
138.05464	4.6
139.03889	85.1
140.04211	1.5
145.02849	1.0
147.04416	1.4
148.03922	40.2
148.60242	0.8
149.02362	0.9
150.05539	1.9
152.11821	0.9
153.05502	1.5
157.02876	1.1
159.04405	1.2
163.03903	19.1
163.05302	1.5
164.04243	1.2
165.06982	12.9
166.04988	8.4
176.03432	3.8
177.07001	2.6
178.04950	4.9
179.03308	1.2
181.04945	75.6
182.05362	1.5
183.07985	1.5
184.05992	1.0
187.03917	2.6
191.05011	1.6
193.06427	8.7
194.04494	24.4
196.05952	1.0
197.05988	5.2
203.03362	7.2
205.06505	5.5
210.06668	1.0
211.07541	4.2
212.05515	18.1
213.01836	2.1
219.04483	1.5
221.05951	40.1
222.06628	2.4
223.07521	6.3
224.04739	1.0
225.05467	17.0
226.05905	1.2
231.02715	6.3
233.05986	3.7
237.05389	2.3
239.06992	11.7
240.94998	0.8
243.06384	1.2
249.05450	36.1
250.06097	4.4
251.07114	5.5
252.04222	2.7
253.04927	9.9
255.06522	5.0
259.03922	1.7
261.05389	1.4
265.04892	1.9
266.05676	1.4
267.06488	17.4
268.07080	2.0
269.04474	1.6
269.08063	1.3
271.06021	2.0
275.03299	1.6
277.04944	32.0
278.05789	3.0
279.06567	6.3
281.04434	10.5
285.07587	1.6
293.04355	1.8
294.05240	1.6
295.05991	89.6
296.06476	3.3
297.07526	4.6
303.02838	1.3
305.04510	4.8
313.07047	9.6
321.03900	17.9
322.04327	1.6
323.05460	100.0
324.05838	4.0
328.66742	1.0
341.06491	7.3
353.07730	1.1
365.06650	1.3
399.08609	2.8
411.07327	1.6
441.70419	1.1
447.10471	1.8
488.09644	1.6
489.08109	5.5
493.11292	5.0
506.10751	11.7
521.10590	12.1
522.10748	1.5
534.10266	23.8
535.09698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
51.72389	0.7
54.80276	0.7
64.11175	0.8
65.03941	5.4
75.66228	0.7
91.05469	2.5
92.04982	2.4
93.03410	7.8
95.04947	1.7
107.04950	4.4
109.05232	1.8
110.06032	10.5
111.04424	12.7
113.99371	0.8
119.04976	1.1
120.04460	12.6
121.02862	6.3
122.06020	1.0
123.04419	2.3
132.04454	6.8
135.04407	11.6
137.02325	5.8
137.05957	1.2
138.05482	12.0
139.03879	17.3
141.35352	0.8
148.03918	100.0
149.04214	1.3
150.05496	7.8
159.04419	0.8
160.03943	3.9
163.03886	3.9
163.05411	1.1
165.06970	10.3
166.04984	23.7
168.25098	0.9
169.06497	0.9
176.03424	7.7
177.06947	1.1
178.04984	9.7
179.03426	0.9
181.04921	2.7
181.06396	1.9
183.08083	1.0
184.06024	3.5
187.03886	1.2
190.05002	0.8
191.04884	1.2
193.06419	8.9
194.04471	53.5
195.02895	1.5
195.04982	1.4
196.06075	2.1
197.05959	3.2
205.06522	2.9
209.05971	1.4
211.07570	3.6
212.05518	38.8
213.01788	1.0
213.05608	0.9
219.04379	2.2
221.05945	40.5
222.06314	1.0
223.07492	4.7
225.05438	17.1
226.05801	0.8
233.05943	3.4
237.05402	3.6
239.07013	9.0
240.07130	1.0
247.03975	0.9
249.05455	38.3
250.06184	4.0
251.06938	4.7
253.04878	6.7
255.06516	3.4
259.03906	2.9
263.70163	0.9
265.05002	2.2
267.06470	14.2
269.04410	1.9
270.07535	1.1
275.03357	3.2
277.04932	30.7
278.05609	2.8
279.06528	3.5
281.04483	1.4
293.04419	3.6
294.05145	1.5
295.05988	66.9
296.06415	2.9
297.07318	2.0
303.02655	1.1
313.06967	2.1
321.03906	37.9
322.04361	2.6
323.05502	17.5
339.04846	0.9
341.06769	1.6
353.07996	1.6
367.13019	0.9
371.09207	2.1
381.07477	2.2
383.08914	0.9
399.08588	6.2
415.07852	1.1
427.08212	1.0
443.07770	1.2
461.08414	2.0
470.08875	1.1
478.10986	1.1
488.09671	4.2
489.08228	12.4
506.10797	36.1
507.10831	2.5
516.09033	2.5
534.10272	62.7
535.10345	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	732.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83524	0.3
63.02390	0.5
65.03931	9.2
79.05482	1.7
89.03891	1.7
91.05469	6.4
93.03397	15.4
93.32700	0.3
95.04968	0.6
105.04510	0.4
107.04939	10.4
108.05315	0.3
111.04432	49.9
112.04791	0.7
116.31071	0.4
117.03390	0.9
119.04945	2.6
135.04399	45.8
136.04715	0.8
137.05963	3.8
139.03883	100.0
140.04213	1.9
145.02875	0.9
147.04411	0.7
163.03886	21.1
177.05319	0.4
179.03427	0.5
181.04935	94.6
182.05228	1.9
213.10236	0.5
245.12869	0.6
255.11227	0.4
263.03342	0.8
281.04428	0.4
283.10754	0.4
291.02866	0.8
293.04236	0.5
301.11871	0.4
329.11224	1.0
337.03391	1.7
361.13953	1.2
380.02081	0.4
493.15869	0.6
597.17810	0.4
641.77911	0.4
701.19165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5615
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
55.05500	8.3
56.05030	6.0
57.07052	3.4
60.04522	70.9
67.05504	13.0
69.07067	10.4
69.23394	16.7
71.08643	3.0
72.04509	3.1
72.34006	2.6
72.34476	2.5
73.63917	2.6
79.05504	7.0
81.03414	4.9
81.07050	11.1
83.08606	8.1
90.05576	3.1
91.05489	8.8
93.07040	5.5
93.19976	2.4
94.06554	3.1
95.08625	9.5
97.10204	4.7
98.23478	3.4
105.07072	3.7
106.52693	2.9
107.08537	2.9
119.08591	8.7
121.10095	4.5
123.11750	2.6
130.59372	2.5
133.10109	3.6
262.25327	25.0
272.25806	6.3
280.26382	26.9
288.10229	2.8
298.27405	8.5
314.26849	4.5
323.03787	2.9
346.79987	3.4
488.22263	2.7
516.47498	4.0
534.48578	15.2
552.49780	100.0
553.49719	4.7
570.50934	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	733.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66177	0.3
53.03914	0.4
53.54296	0.3
55.05523	0.3
63.24930	0.3
65.03937	10.2
70.06589	0.6
77.03914	0.5
79.05483	2.4
81.03378	0.4
81.07043	0.4
81.29353	0.3
89.03888	1.8
91.05475	7.1
93.03398	11.7
95.04962	1.6
96.27906	0.3
97.06532	0.4
103.05473	1.1
105.06989	0.4
107.04955	12.3
107.05682	0.7
111.04436	48.9
112.04771	0.7
115.05419	0.4
117.03355	2.3
119.04925	3.0
123.04412	0.9
125.05988	2.2
127.03967	0.3
129.03409	0.4
131.04933	3.1
132.05295	0.4
133.02863	0.6
133.06468	0.7
135.04405	41.0
136.04727	0.6
137.02330	0.4
137.05971	3.9
139.03888	71.5
140.04224	0.8
145.02838	2.8
145.03918	0.5
147.04402	1.5
149.05989	0.4
151.03902	6.1
151.05060	0.7
151.07532	0.4
153.05469	6.1
157.02794	0.7
159.04359	0.9
161.05974	1.5
162.06314	0.5
163.03894	16.6
163.07523	1.0
164.04146	0.4
165.07004	4.4
175.03894	1.5
176.06194	0.5
177.05479	4.2
177.06895	0.6
178.05719	0.8
179.03371	1.2
181.04944	46.2
182.05252	0.5
185.02332	0.7
187.03896	7.0
188.04506	0.4
192.05693	0.7
193.06451	3.6
194.07239	1.2
197.05927	0.4
203.03360	9.3
204.03929	0.3
205.04852	0.4
205.06471	1.7
209.06084	0.5
210.06732	4.2
211.07350	0.5
213.01808	6.8
220.05119	2.1
221.05957	11.0
222.06607	1.9
223.07481	0.7
224.04515	0.5
225.05582	0.4
225.09088	0.9
231.02841	7.5
233.05949	1.2
234.06689	0.4
235.07564	0.8
237.05508	1.5
237.09026	0.8
238.06256	5.3
239.06851	1.0
245.12936	0.5
248.04652	3.2
249.05453	16.8
250.06166	5.3
251.03493	0.5
251.06996	0.7
252.04156	2.3
253.04755	0.4
253.08607	2.9
257.08121	0.6
259.03934	1.6
260.04697	0.5
261.05508	0.7
262.06229	0.5
263.06989	6.9
264.07700	0.8
265.05124	1.6
265.08392	1.7
266.05731	9.6
267.06522	3.0
269.08020	1.1
275.03210	0.5
276.04166	2.1
277.04935	25.6
278.05612	4.3
279.02921	1.1
279.06458	0.9
280.03632	1.1
280.07047	0.6
281.08029	7.8
282.08582	0.8
283.05902	0.6
283.09909	0.5
285.07535	0.9
285.12308	0.5
289.04926	0.6
291.06503	3.3
292.07211	0.5
293.04428	1.7
293.08011	3.1
294.05197	14.7
295.05963	9.9
296.06387	0.6
297.12408	0.9
298.04681	0.4
299.09009	0.5
301.11893	0.4
305.04251	2.4
306.05209	0.8
309.07538	37.6
310.07913	1.7
311.09119	3.2
313.07016	0.6
319.05984	3.2
320.06448	0.5
321.03918	5.6
322.04657	1.8
323.05591	0.8
327.08618	4.8
329.11115	0.4
337.07025	100.0
338.07330	3.7
339.04916	1.4
339.08670	0.8
354.07407	0.4
355.08038	5.4
361.13794	1.0
365.06503	0.9
372.34943	0.3
411.07236	1.6
425.09305	0.4
507.12766	1.0
519.09186	2.7
535.12244	3.0
612.25708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.21
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05676	0.9
64.75917	0.7
68.77868	0.8
69.04923	2.8
69.05347	2.9
73.60526	0.8
89.03929	1.8
89.46951	0.9
117.03381	2.7
135.04446	2.7
145.02849	6.4
147.04514	1.0
163.03908	8.4
177.05437	7.4
181.05090	1.0
205.20168	0.8
295.06210	1.1
444.55112	0.9
733.20947	100.0
733.32385	3.5
734.21088	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	733.267
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44946	0.8
67.73454	0.9
69.89618	2.0
79.01617	4.3
82.00318	3.9
95.01115	2.3
95.08633	0.9
98.23378	1.7
98.28606	0.9
110.53112	0.9
111.04415	1.1
111.23584	1.0
126.92939	0.8
127.00064	3.8
132.36682	0.9
135.04443	1.2
139.03752	2.0
140.00841	0.9
141.05212	9.1
153.01570	7.7
154.02214	1.2
169.04753	2.3
172.85875	0.8
173.46373	1.0
181.04848	1.7
182.01846	2.9
185.04170	4.8
199.05905	2.5
209.91235	0.9
227.05193	5.8
239.89218	0.9
243.04716	7.0
249.05585	1.2
253.03249	4.7
271.04169	15.6
272.04645	1.3
287.03772	4.4
288.04321	1.4
295.05780	1.2
321.14563	1.3
322.15363	6.2
323.05392	2.0
323.16110	1.6
347.09595	2.9
389.10541	8.1
391.41312	1.1
405.10089	3.9
433.09430	5.0
485.21582	1.3
647.26721	1.3
689.27820	14.1
690.28400	1.2
733.26672	100.0
734.26813	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	733.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57096	1.0
54.03072	0.9
55.05503	1.8
57.03432	2.2
61.02917	4.2
62.98254	0.9
67.05500	4.3
69.03434	2.7
69.07060	1.6
69.34762	2.0
69.35163	3.6
73.02921	3.1
76.73381	0.8
76.99700	1.0
79.05492	4.4
81.03416	1.6
81.07050	3.8
83.04989	1.5
83.08623	1.5
85.02906	3.5
91.03934	1.6
91.05492	3.4
93.07033	4.7
93.45390	0.9
95.04981	1.0
95.08611	2.7
97.02892	3.8
97.06556	1.3
101.02424	1.3
105.07046	2.5
107.08603	3.6
108.99789	0.8
109.02919	1.0
119.08582	2.2
121.10163	1.1
127.03931	0.9
133.10165	1.8
135.11714	2.6
145.10170	1.3
171.11629	1.2
185.04221	1.0
221.11662	1.9
232.96048	0.9
243.08426	4.1
287.98383	1.0
301.09052	1.8
373.80237	1.1
387.62891	1.2
410.28552	1.0
439.19446	11.7
511.21396	1.1
535.28809	5.6
733.41217	100.0
734.41309	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	734.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37215	1.2
56.07600	1.0
59.51040	1.0
65.03942	1.7
71.01301	1.3
79.05486	2.7
81.03400	1.8
89.03915	3.1
91.05476	1.6
91.29417	1.2
93.03401	2.1
95.04977	3.1
105.01239	1.0
105.03382	3.0
107.04967	8.8
109.02864	8.8
110.41982	1.1
111.04431	11.8
117.03339	1.5
123.04417	36.2
127.03922	3.8
133.02841	27.8
135.04404	26.2
135.05345	2.0
137.02347	7.4
139.03896	21.4
147.04324	2.4
149.02336	1.8
151.03902	46.5
153.05472	4.0
155.03378	28.1
159.04430	1.9
161.02325	1.5
163.03932	11.8
165.05653	2.1
165.07013	9.3
169.04961	3.4
169.06438	1.8
175.03844	2.1
177.06999	1.4
179.03378	43.7
181.04958	12.9
181.06422	2.5
187.03856	7.7
189.05489	1.2
193.06482	7.6
195.08002	2.2
197.04434	82.8
197.05896	4.3
198.04843	1.7
203.03386	6.0
205.06508	5.1
211.07552	3.9
213.01752	2.7
215.05528	3.1
221.05971	35.0
223.07501	12.4
225.05460	16.3
231.02827	5.9
233.06076	6.0
237.05496	2.5
239.07042	10.1
243.06654	1.9
249.05457	47.0
250.06070	3.7
251.07034	12.4
251.28645	1.1
252.04140	1.3
253.04938	13.9
255.06541	9.0
257.85977	1.2
261.05557	2.1
265.04819	1.6
266.05676	2.1
267.06537	24.2
268.06973	1.6
269.04446	3.6
269.08090	4.5
271.06042	9.4
276.03784	1.2
277.04959	35.0
278.05481	3.3
279.03848	1.7
279.06424	8.7
281.04413	12.9
285.07553	2.3
294.05234	2.5
295.05988	88.5
296.06442	3.9
297.04401	1.4
297.07434	5.6
305.04510	3.7
313.07056	8.6
321.04065	3.1
323.05475	100.0
324.05801	4.2
325.07031	8.8
335.07700	2.0
337.07153	2.1
341.06488	12.5
363.45020	1.2
397.94586	1.3
401.10089	2.2
403.67871	1.5
411.08615	1.9
417.09552	1.5
429.09677	3.0
445.08881	1.9
447.10425	2.2
457.09012	2.4
463.10141	4.8
475.10107	3.9
491.09863	7.6
493.11182	10.3
512.67590	1.2
519.09424	5.3
521.10596	3.5
537.10315	23.9
587.74585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78497	2.3
65.03934	6.5
71.05553	3.0
77.69306	1.8
81.22491	1.9
91.05473	4.5
93.03378	4.7
95.04970	5.9
107.04959	7.5
109.09482	2.2
111.03754	3.5
111.04447	26.6
115.05427	4.0
119.04945	3.1
123.04430	31.6
131.04947	2.8
133.02850	5.3
135.04404	26.5
137.02376	14.9
137.03305	3.3
139.03885	44.4
141.06982	2.2
147.04385	5.0
148.03947	5.4
153.06969	2.6
155.08340	1.9
157.04332	2.2
161.02365	2.2
161.05966	3.4
163.03899	27.4
165.01830	9.2
165.05469	7.8
165.07008	16.0
167.06989	2.3
169.06525	3.6
175.03905	7.3
179.03381	7.1
181.04979	25.2
181.06425	4.1
183.08051	2.8
185.02293	2.3
187.03882	11.0
193.06462	11.1
194.04507	5.0
197.05988	17.4
203.03395	7.2
205.06522	10.5
210.06647	2.9
211.07533	13.9
213.01787	7.0
214.06387	2.5
215.06967	3.8
221.05983	55.7
222.06335	5.6
223.07581	13.2
225.05426	23.3
227.07037	6.7
231.02890	7.6
233.05956	9.2
237.05429	8.7
238.06216	2.8
239.06995	28.4
242.05717	5.6
243.06558	11.5
247.07556	3.4
249.05498	87.6
250.06050	9.0
251.07039	17.1
253.04962	13.2
255.06494	20.2
257.08127	3.1
261.05334	4.1
263.06955	3.7
265.04944	9.6
266.05646	3.4
267.06509	65.2
268.07089	4.7
269.04379	3.4
269.08047	7.4
271.05991	53.6
275.06918	2.8
277.04935	40.3
278.05475	5.8
279.06345	21.4
281.04379	19.9
281.56619	2.6
282.04929	2.7
283.05951	11.0
285.07516	29.2
291.06644	2.7
293.04517	4.7
294.05017	4.2
295.06003	95.6
296.06476	8.3
297.07404	9.3
305.04269	12.5
307.06046	9.4
309.08997	2.8
311.05286	2.8
313.07025	29.9
319.05893	3.3
321.03860	8.9
321.08902	3.9
322.04474	5.8
323.05466	100.0
324.05765	3.4
325.07816	5.2
329.06525	4.4
331.08124	20.9
335.05594	6.6
337.08670	10.4
341.06595	28.4
349.08545	3.2
352.07300	2.8
353.08066	18.1
355.09314	3.7
357.06317	2.3
363.05463	3.1
365.08005	11.1
366.64560	2.2
367.09616	5.1
369.06525	6.1
371.08875	3.5
377.08344	4.6
381.07513	15.5
382.08228	3.4
383.09009	9.5
387.08502	7.1
393.07574	5.3
395.09277	4.2
397.06454	3.8
398.07861	8.7
399.08569	14.9
401.10535	3.1
409.06757	13.8
411.08508	11.2
412.08969	3.2
415.07776	3.9
417.09604	6.7
427.08078	20.4
429.09656	7.8
437.06607	2.3
439.07858	2.8
445.08920	15.0
455.07590	10.6
457.08990	7.4
463.10333	15.3
473.08618	28.2
475.10287	5.0
491.09564	24.5
501.08160	44.7
519.09259	37.2
521.10223	2.9
535.10382	2.4
536.10321	3.3
561.11047	2.3
607.12231	3.5
643.14172	5.4
653.12579	7.9
671.13708	12.5
717.14136	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	734.207
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41839	0.7
65.03926	3.1
66.09434	0.8
69.87030	1.8
77.03939	0.9
88.77526	0.8
91.05480	14.6
93.03400	3.5
93.07015	1.0
95.04961	37.2
103.05463	3.7
104.93298	0.8
105.04523	1.6
107.04958	2.4
109.06529	1.2
111.04430	9.2
119.04934	48.2
120.05278	0.9
121.06504	2.6
123.04420	100.0
124.04778	1.6
125.06016	1.3
131.04875	1.3
135.04425	6.5
137.02325	1.4
137.05951	2.8
139.03885	12.4
145.02841	1.0
147.04398	32.0
151.03900	8.0
153.05447	6.6
163.03859	4.4
165.05467	97.1
166.05748	1.0
175.03912	1.9
179.03436	1.1
179.37877	0.9
181.04929	6.6
187.03917	6.4
193.06459	3.8
194.07173	1.1
203.03377	10.7
205.06493	2.4
210.06709	2.4
213.01770	5.5
220.05122	0.9
221.05965	8.7
222.06645	1.3
223.07449	1.6
225.05373	1.1
229.08490	0.8
231.02853	7.6
233.05945	2.0
234.06404	0.8
235.07353	1.2
237.05397	1.0
237.09138	2.3
238.06259	3.6
239.07062	1.1
248.04681	1.9
249.05463	15.4
250.06189	6.5
251.06963	1.9
252.04201	1.7
253.08562	2.2
259.03864	2.1
263.06973	6.5
265.05087	1.0
265.08353	1.7
266.05670	7.1
267.06488	4.0
269.04324	1.7
269.08096	1.0
272.90222	0.9
276.04074	1.3
277.04959	17.6
278.05652	4.1
279.02573	0.9
279.06470	2.2
281.05136	1.3
281.08063	7.2
282.08707	2.0
283.09702	1.6
285.07657	2.0
291.06485	2.6
293.08032	6.5
294.05161	12.5
295.05978	11.8
299.09088	1.5
305.04263	1.9
306.05099	0.9
309.07547	35.5
310.07800	1.9
311.09109	3.5
317.10217	1.4
319.06058	2.6
323.05569	4.9
327.08624	17.9
328.08762	1.2
337.07019	98.3
338.07285	3.3
339.08569	1.2
341.06454	1.2
349.06976	1.5
355.08243	5.6
395.07492	1.7
444.62231	1.0
463.10117	1.6
491.09781	3.3
519.12933	15.3
520.13037	1.1
521.10828	1.5
657.97900	0.9
718.14917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56498	0.3
54.69755	0.3
55.03516	0.4
65.03918	0.8
69.26698	1.0
69.27100	0.9
83.05875	0.3
86.09686	0.6
88.54717	0.3
89.03892	0.5
91.05486	0.6
93.03403	0.9
97.02868	0.3
98.22719	0.7
107.04943	1.3
111.04446	3.7
117.03424	0.7
135.04408	4.6
136.04742	0.5
137.05954	1.0
139.03883	7.4
140.04160	0.3
145.02844	1.0
163.03889	5.7
163.07515	0.5
164.04233	1.2
167.07007	0.5
177.05553	0.7
179.85980	0.3
181.04947	6.2
182.05238	0.4
185.04204	14.6
187.03868	0.7
190.73262	0.4
217.04683	3.8
221.05920	3.7
222.06279	0.4
231.02927	0.8
239.07080	0.6
249.05466	3.0
250.05768	0.8
251.05362	0.4
267.06448	1.1
277.04892	0.5
285.07559	0.8
295.05972	13.5
296.06265	1.9
312.06055	0.5
313.06927	1.1
323.05579	2.3
324.05710	0.6
341.06686	1.7
366.72351	0.3
375.17804	0.4
379.09958	100.0
380.10269	3.4
735.23676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63729	0.2
63.01293	0.2
69.12417	0.2
69.75957	0.4
69.76345	0.4
97.13304	0.2
108.66819	0.2
111.04440	0.3
135.04425	0.7
139.03906	0.8
181.04958	0.5
216.55499	0.2
264.29095	0.3
295.05957	0.4
303.12033	1.0
323.05563	0.6
437.19296	100.0
438.19702	4.6
569.01849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04050	1.1
65.03935	7.3
67.13547	1.1
70.82342	1.2
70.92442	1.6
79.05505	1.6
83.45403	1.2
84.94438	1.0
89.03914	1.4
91.05477	5.8
93.03403	16.5
98.23269	1.3
107.04957	15.1
111.04437	47.5
119.04929	3.5
135.04399	46.6
136.04701	1.4
137.02354	5.8
137.05963	1.9
139.03891	86.3
139.33530	1.3
140.04204	2.4
153.05467	1.8
163.03902	19.5
165.07028	4.6
181.04947	84.6
187.03885	2.2
193.06485	4.4
197.05986	2.3
203.03380	6.1
205.06497	4.7
211.07578	2.4
213.01851	3.7
221.05940	15.6
222.06473	1.3
223.07536	4.7
225.05450	7.7
231.02875	6.5
233.05983	3.0
239.06995	8.5
249.05438	26.6
250.06223	1.2
251.07013	4.0
253.04950	7.1
255.06454	3.6
267.06531	14.0
271.05991	2.2
277.04935	23.1
279.06528	4.5
281.04385	8.3
295.05991	62.4
296.06424	4.6
297.07559	3.4
299.09201	1.6
299.12772	1.2
305.04443	3.7
313.06952	9.4
323.05487	100.0
324.05869	3.6
325.07065	1.8
341.06470	10.3
365.06659	2.4
411.07175	2.8
493.11267	8.0
521.03357	2.3
521.10699	37.4
522.10480	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	736.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	7.9
69.20432	4.0
69.44531	1.3
79.05495	2.5
81.03423	1.1
84.97780	0.9
89.03909	3.3
91.05495	7.2
93.03392	17.3
96.35245	1.0
107.04945	16.5
109.05714	0.9
111.04432	47.4
112.18769	1.1
117.03388	2.8
119.04935	4.2
123.04382	1.9
135.04405	54.6
136.04794	1.2
137.02341	7.0
137.05988	3.8
139.03886	100.0
140.04221	1.1
142.18364	0.9
142.32867	0.9
145.02840	2.8
153.05516	1.7
159.95457	1.1
163.03893	37.8
163.05295	1.8
165.06982	5.1
167.08565	1.1
177.07040	1.8
181.04936	74.6
182.05246	1.5
187.03908	2.8
193.06522	4.3
197.05904	2.4
203.03394	11.1
205.06464	3.9
211.07533	3.6
213.01852	2.4
214.19838	1.1
221.05956	20.8
223.07561	3.4
225.05482	7.2
231.02803	5.8
233.05942	3.1
239.06993	7.9
249.05434	30.5
250.06078	2.1
251.06917	5.3
252.04065	2.9
253.04863	7.7
255.06512	2.8
261.05505	1.5
267.06509	14.8
269.04385	1.6
277.04926	25.8
278.05499	2.4
279.06430	7.3
281.04416	10.4
294.05273	1.2
295.05994	64.5
296.06348	2.3
297.07544	4.5
305.04474	3.3
313.07147	6.6
323.05460	90.3
324.05792	4.2
325.06833	1.1
341.06503	7.9
365.06406	2.7
411.07144	1.9
475.10364	1.6
493.11115	8.3
521.10797	29.8
522.10663	3.5
637.91461	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	9.5
69.84187	3.5
78.56459	1.0
79.05494	3.4
84.40752	1.0
89.03913	2.3
91.05495	7.1
91.83936	0.9
93.03403	17.7
94.92907	1.0
104.98279	1.0
107.04949	16.6
111.04433	51.7
117.03370	1.8
119.04932	4.0
123.20676	1.1
135.03345	1.7
135.04404	57.6
137.02342	4.2
137.05974	4.1
139.03885	100.0
140.04309	1.1
145.02821	2.1
153.05513	1.3
159.04434	1.4
163.03889	28.5
165.06941	4.7
168.91974	1.0
177.06978	1.8
181.04939	71.6
187.03929	3.9
193.06503	3.7
197.05971	2.4
203.03387	8.6
205.06496	4.1
211.07553	3.1
213.01712	2.6
221.05957	22.5
223.07520	4.4
225.05440	9.8
231.02898	4.5
233.05994	2.0
234.06383	1.1
239.06953	8.1
249.05452	26.6
250.06120	3.7
251.07074	4.6
252.04178	3.3
253.04904	9.0
255.06505	5.3
267.06506	15.6
268.07211	1.8
269.08325	1.4
271.05948	2.8
276.56046	1.2
277.04941	23.3
278.05569	2.5
279.06378	6.0
281.04459	8.8
295.05981	63.1
296.06366	2.5
297.07498	3.1
305.04486	5.8
313.07047	8.0
319.08304	1.2
323.05453	84.7
324.05811	3.1
325.06998	1.3
332.51395	1.0
341.06525	7.5
365.06540	2.4
411.07126	3.0
454.33322	1.2
475.10333	2.0
493.11163	5.1
521.03326	2.2
521.10730	30.9
522.11121	2.0
571.30255	1.2
605.85938	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26918	1.1
65.03932	8.0
69.27560	1.7
69.27969	3.3
79.05477	2.5
89.03949	1.7
91.05468	7.1
93.03398	14.1
98.23438	2.3
107.04967	11.9
111.04436	46.4
111.97742	0.9
117.03351	1.8
119.04916	3.0
129.22878	1.1
131.04959	1.0
135.04404	53.3
136.04727	1.4
137.02332	5.2
137.05946	3.5
139.03889	100.0
140.04218	1.6
145.02818	2.3
153.05415	1.3
159.04417	0.9
159.05576	0.9
163.03900	25.6
165.06921	5.5
174.04611	0.9
177.06940	1.5
181.04944	82.0
182.05339	2.2
187.03902	3.1
193.06427	3.0
197.05968	2.3
203.03369	11.2
205.06480	3.1
211.07507	3.3
213.01799	3.6
221.05966	20.3
222.06499	1.3
223.07535	4.2
225.05405	6.8
231.02826	8.6
232.82216	1.0
233.06007	2.7
239.07014	6.3
249.05461	25.1
250.05910	2.2
251.06963	4.3
252.04167	2.7
253.04872	7.4
255.06573	3.4
259.03928	1.4
261.05222	1.5
266.05762	1.2
267.06488	15.2
271.06012	2.1
277.04944	22.6
278.05478	2.7
279.06488	6.5
281.04465	7.8
295.05988	73.6
296.06256	3.5
297.07510	4.1
299.09204	1.4
305.04263	4.1
313.06949	8.4
319.08145	1.7
323.05469	97.8
324.05850	5.7
325.06833	2.0
341.06519	9.9
365.06528	2.3
397.06866	1.0
411.06982	3.1
447.10690	1.3
493.11090	7.8
521.10748	33.9
522.10602	2.2
541.35272	1.0
546.54022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
64.54332	0.6
65.03932	6.9
65.20802	0.8
70.94128	0.7
79.05476	2.5
89.03893	4.2
91.05475	7.5
93.03400	13.7
94.68679	0.8
95.04945	1.3
100.35860	0.7
103.05447	1.6
105.07030	0.9
106.52289	0.9
107.04946	14.3
109.02892	0.8
111.04433	38.6
117.03371	5.9
119.04935	3.2
121.06545	0.9
123.04396	1.9
131.04887	1.0
131.40425	0.7
133.02838	2.3
135.04404	48.0
137.02332	4.0
137.05957	3.2
139.03888	82.9
140.04202	1.7
145.02843	7.4
147.04385	1.5
151.03911	2.0
153.05463	1.5
161.02344	2.1
162.03157	1.8
163.03888	68.2
164.04214	1.3
165.05829	0.7
165.06978	4.4
173.02367	0.8
175.37280	0.7
177.05432	1.5
177.06871	1.7
181.04939	55.9
182.05045	2.4
187.03908	2.7
193.06487	5.0
195.07993	1.2
197.05977	2.9
203.03343	6.5
205.06509	4.0
209.07999	1.1
211.07579	1.9
213.01801	2.1
221.05952	22.8
222.06392	1.8
223.07571	3.8
225.05461	7.3
231.02835	4.3
233.05910	1.8
239.07018	7.2
249.05467	27.2
250.06090	2.1
251.06989	4.5
252.04163	1.8
253.04872	6.4
255.06496	3.4
259.03885	0.9
266.05737	1.4
266.10614	0.8
267.06485	13.4
271.05978	2.0
277.04941	19.5
278.05490	2.5
279.06454	6.2
280.06677	0.9
281.04407	8.3
295.05981	66.7
296.06445	3.4
297.07437	4.1
299.05359	2.1
305.04544	4.7
313.07080	6.4
323.05463	100.0
324.05753	4.1
325.06812	0.8
341.06552	8.2
342.06927	0.8
359.07861	0.9
365.06064	1.5
409.10910	0.9
411.07019	1.9
419.82224	0.9
447.10141	1.1
457.09232	0.8
493.11383	4.5
503.09555	1.7
521.03314	1.4
521.10706	22.0
566.73212	0.8
623.78363	0.9
648.86469	0.7
736.24579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.3
69.28862	6.6
69.29150	2.0
70.92065	1.1
89.03936	2.0
90.07417	1.1
91.05507	2.1
93.03384	6.8
94.03732	1.1
106.26297	1.1
107.04977	5.3
108.05298	1.9
111.04433	24.2
111.05177	2.1
112.04789	3.5
117.03380	1.6
135.04399	23.6
136.04730	8.9
137.02379	2.2
137.05969	1.9
139.03886	42.7
140.04218	10.6
140.90984	1.1
142.07161	1.2
145.02919	2.2
148.12256	1.1
163.03883	21.7
163.05148	2.0
164.04179	5.7
165.07076	2.2
177.06979	1.2
181.04930	29.9
182.05255	9.5
184.14673	1.2
189.05225	9.5
190.05925	1.2
193.06525	1.8
194.07036	1.7
203.03476	3.5
215.06964	1.2
221.05928	8.4
222.06186	5.5
223.07524	1.4
225.05534	3.1
231.02896	2.3
234.08594	1.7
235.09213	1.6
239.07066	3.1
240.07289	1.2
249.05534	8.7
250.05730	7.2
252.07379	1.5
253.05037	3.7
254.05260	1.4
267.06567	4.9
268.06915	3.9
277.04861	6.0
278.05319	6.0
279.06290	1.5
280.06668	1.4
281.04529	3.5
282.04791	2.7
286.56247	1.2
287.12625	1.8
295.06064	18.6
296.06342	17.3
297.07077	1.6
301.10461	6.1
313.07153	3.2
314.07477	2.2
316.12781	38.8
316.16251	2.2
317.13425	5.4
323.05444	27.6
324.05829	28.6
341.06741	1.7
342.06754	1.6
363.10504	4.0
378.12881	9.3
406.43762	1.1
431.16705	1.8
494.11966	2.5
513.20892	32.8
521.10919	3.6
522.11151	10.8
553.30121	1.2
557.19617	1.7
575.20953	17.3
646.88324	1.3
737.26154	100.0
738.26782	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	737.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01870	3.5
55.05499	8.7
57.03433	3.9
57.07082	1.8
60.16224	1.6
61.02920	1.8
67.05499	12.7
69.03420	13.0
69.07067	9.8
70.44083	1.4
71.04974	3.1
74.39532	1.2
77.03911	1.6
79.05491	10.6
80.28285	1.2
81.03421	10.1
81.07042	30.8
83.04990	9.1
83.08611	5.6
85.02898	27.6
85.06532	2.1
87.00842	10.9
91.05476	15.9
93.07030	30.9
95.04957	5.6
95.08599	51.9
97.02864	8.4
97.06514	2.8
97.10165	4.5
99.04455	3.8
99.08096	1.6
105.01855	9.9
105.07017	41.1
107.08585	59.0
109.02860	8.1
109.06492	3.4
109.10145	31.5
111.04447	3.8
111.08050	8.1
117.07005	6.1
119.08569	53.9
121.10136	41.2
123.08068	2.8
123.11707	13.3
125.09616	19.7
126.05841	1.4
127.03912	17.0
129.05489	1.5
129.06993	3.5
130.07741	2.0
131.08548	22.1
133.10124	40.5
135.04407	2.8
135.08023	3.1
135.11691	15.8
137.13220	2.4
139.03906	3.4
143.08553	10.7
144.09297	2.4
145.02852	5.5
145.04984	4.1
145.10104	44.1
147.11670	27.2
148.29990	1.4
149.09633	2.8
149.13264	15.3
151.11172	5.3
153.09138	2.6
154.61430	1.4
156.09399	1.4
157.10159	10.5
159.02904	3.4
159.11676	36.3
161.13251	20.7
162.13651	1.6
163.03917	5.2
163.07628	1.6
163.11156	3.6
163.14801	16.6
165.12804	1.6
169.10097	2.6
171.11700	8.4
173.13249	25.0
175.14796	27.2
177.05469	5.8
177.12840	2.4
177.16364	29.9
181.05049	1.5
183.11777	2.0
184.12431	1.5
185.13245	5.3
187.14790	53.1
189.12724	2.7
189.16377	43.9
189.90569	1.4
191.14339	11.7
191.17921	13.5
193.15810	3.5
197.13297	4.4
199.14760	17.2
201.16364	50.7
202.16718	2.8
203.14250	5.4
203.17929	34.8
205.15858	49.8
205.17677	2.6
205.19336	2.7
207.17487	3.2
209.15236	1.4
211.14960	1.8
213.03946	2.3
213.16354	30.3
215.14424	2.2
215.17934	24.8
217.15880	6.5
217.19537	5.4
219.17424	24.9
221.15427	3.0
225.16209	1.5
227.17946	4.1
229.15863	3.2
229.19464	2.7
231.05034	3.8
231.17435	4.1
233.18996	5.9
235.16969	11.1
241.19513	8.1
243.21207	2.4
247.16907	12.7
249.18439	6.2
253.19739	2.3
255.21138	3.4
259.17062	2.1
259.20663	1.9
261.18503	7.2
267.21033	8.0
269.22610	2.1
281.22501	2.1
283.15582	1.5
295.06116	1.6
295.24234	1.8
323.05704	2.0
324.05438	2.4
341.24728	3.3
349.28958	2.6
377.32056	2.7
379.33685	2.5
389.31995	11.7
391.33325	1.8
395.29025	2.9
395.33527	2.9
407.33023	55.9
408.33359	3.0
409.34592	14.9
410.35443	1.9
417.31345	2.1
423.32605	9.7
425.34134	9.1
435.32504	31.0
436.32953	1.5
441.33612	3.9
443.35327	1.8
453.33621	100.0
454.34131	8.4
471.34528	4.4
494.11453	1.7
652.45984	1.6
737.36285	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	738.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16870	0.9
65.99874	0.9
69.45928	4.7
79.40464	0.9
86.08942	0.9
89.03905	5.1
91.05456	1.2
93.03392	1.7
97.74609	0.9
107.04960	2.3
111.04421	5.4
117.03347	4.6
122.69507	0.8
135.04410	13.1
139.03883	9.1
145.02821	9.3
163.03893	100.0
164.04239	3.3
181.04945	6.3
223.97125	1.0
257.92255	1.1
270.22546	1.0
293.51059	1.1
295.05960	1.4
297.07013	1.7
323.05496	1.4
325.06805	2.1
352.75040	1.1
412.02856	1.1
527.45923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05683	0.1
63.02367	0.4
65.03940	0.9
70.76569	0.2
79.05475	0.9
83.93743	0.2
89.03903	6.2
89.04459	0.3
91.05477	0.5
93.03389	1.4
95.04955	0.4
98.94171	0.1
99.83623	0.1
107.04945	2.7
111.04430	4.6
117.03362	7.5
119.04932	0.3
123.04355	0.2
135.04396	18.1
136.04726	0.5
137.02293	0.3
139.03880	8.6
140.28830	0.2
142.10544	0.1
145.02826	10.5
146.03195	0.2
163.03876	100.0
164.04221	1.7
180.06488	0.2
181.04933	5.9
182.05327	0.3
187.75273	0.1
205.06419	0.2
216.08366	0.1
223.07549	0.2
231.06522	0.4
233.05898	0.2
243.11095	0.2
245.08058	0.4
251.06949	0.4
254.45834	0.2
269.07938	0.3
279.06424	0.6
283.05804	0.2
287.05463	0.8
290.84140	0.1
297.07544	0.9
298.07675	0.2
307.06030	0.3
325.07062	1.4
325.85843	0.1
341.06329	0.2
343.08099	3.5
398.73083	0.2
490.85214	0.2
523.11462	0.1
529.14215	0.1
718.24585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96370	0.1
53.03928	0.2
63.02375	0.5
65.03927	1.0
70.97356	0.2
77.03919	0.2
78.63995	0.1
79.05498	1.1
89.03909	7.0
89.04461	0.4
90.04265	0.1
91.05463	0.8
93.03397	1.8
95.04966	0.3
107.04955	2.8
111.04429	5.3
111.05166	0.3
112.04790	0.2
117.03379	8.1
119.04957	0.3
135.04402	20.1
136.04755	0.4
137.02299	0.2
137.05939	0.2
139.03891	7.9
140.04269	0.4
145.02835	11.6
146.03192	0.2
163.03885	100.0
164.04233	2.2
181.04945	5.6
182.05334	0.3
231.06506	0.4
249.05377	0.2
269.07785	0.2
279.06604	0.3
295.06039	0.3
296.06351	0.3
297.07355	0.5
323.05460	0.5
324.05884	0.2
325.06876	0.7
343.08118	3.2
395.87860	0.2
488.60367	0.2
523.11359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83218	0.2
63.02358	0.5
65.03934	2.1
69.55305	0.8
79.05497	1.4
89.03902	7.6
91.05465	1.2
93.03393	2.6
95.04951	0.6
98.22701	0.2
102.62829	0.2
107.04942	4.2
111.04430	9.4
112.04738	0.3
117.03366	8.1
118.03684	0.3
119.04922	0.6
123.04414	0.7
135.04398	23.3
136.04749	0.9
137.02370	0.5
137.05949	0.4
138.43994	0.2
139.03883	16.0
140.04245	0.6
145.02834	12.0
145.03862	0.5
146.03197	0.3
147.04364	0.3
159.04453	0.2
163.03882	100.0
164.04211	2.6
165.05571	0.3
181.04938	10.5
181.06396	0.5
182.05342	0.4
187.03824	0.3
199.07506	0.3
205.06479	1.1
212.45221	0.2
221.06047	0.4
223.07501	1.1
227.06927	0.3
231.06409	0.4
233.06093	1.0
239.06938	0.2
245.08084	1.9
249.05455	0.5
250.05833	0.3
251.07030	2.7
255.06448	0.3
261.05475	0.4
267.06512	0.2
269.08035	2.1
279.06714	3.4
287.05380	0.9
295.05786	0.6
296.06219	0.2
297.07535	4.5
307.05978	1.1
323.05450	0.8
324.05807	0.8
325.07016	4.8
326.07480	0.3
343.08087	4.0
358.46927	0.2
505.10809	0.3
523.12305	0.4
577.12097	0.3
679.57507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.0
55.01869	9.8
55.05505	5.9
55.95843	1.7
57.03425	7.3
61.02910	5.4
62.72157	1.6
65.03931	1.8
67.05502	10.3
68.99774	3.1
69.03421	29.9
69.07066	12.2
71.04987	4.4
73.02907	9.3
74.48959	1.6
74.77080	1.6
79.05467	8.0
81.03412	38.5
81.07048	21.2
83.08590	4.3
84.31374	1.7
84.68452	1.6
85.02895	69.3
85.03412	3.3
85.87615	1.6
87.00823	38.2
91.03918	4.4
91.05458	13.9
93.07031	22.3
95.04972	3.3
95.08595	34.3
97.02886	35.4
98.23552	2.8
99.04447	13.1
105.01857	29.1
105.07022	47.8
107.04933	3.2
107.08577	31.6
108.04425	4.5
109.02874	30.2
109.06493	5.1
109.10151	13.8
111.04443	4.3
111.08136	2.1
117.01827	3.9
117.06978	4.9
119.06725	2.2
119.08566	69.9
121.06487	27.3
121.10132	22.0
123.08123	2.3
123.11716	3.0
126.05473	3.9
127.03904	46.3
129.01814	5.4
131.08534	17.6
133.06509	3.6
133.10106	35.5
135.04411	4.4
135.08070	10.1
135.11684	11.2
139.03886	6.3
140.04233	2.7
143.08531	6.4
145.04938	18.6
145.10107	37.0
147.02838	3.3
147.08052	19.5
147.11647	17.7
149.13226	9.8
156.09299	2.8
157.10086	10.0
159.02843	18.9
159.08035	3.8
159.11685	20.6
160.08789	1.7
161.09616	19.3
161.13237	100.0
162.13603	2.6
163.03868	2.3
163.11191	2.3
163.14812	20.4
171.11656	7.1
173.09605	3.4
173.13220	16.5
175.11195	5.1
175.14798	25.4
177.16367	36.8
181.04883	4.2
182.05238	2.4
183.11646	5.0
184.89447	1.8
185.13225	13.6
187.14789	76.5
189.12738	39.4
189.14403	3.0
189.14752	2.6
189.16353	29.0
191.14281	13.2
191.17915	39.8
193.15831	1.9
197.13216	2.3
199.14806	7.9
201.12622	2.7
201.16345	23.6
203.14285	17.4
203.18013	11.5
205.15842	6.3
207.13852	7.3
213.16367	4.1
214.84250	1.7
215.14302	19.2
215.17754	1.9
217.15889	11.7
219.17523	2.8
221.15370	1.8
222.06215	2.1
229.15897	13.0
229.19456	2.3
230.06514	2.4
231.04947	12.7
231.21140	2.2
235.17076	2.3
239.18042	2.7
243.17410	2.6
245.19142	2.6
247.16945	6.6
248.07607	4.6
249.05673	2.3
255.21227	2.3
266.08615	3.5
293.22702	2.1
295.05927	2.6
296.06192	3.4
308.37039	2.1
324.05896	2.8
325.06006	2.9
333.25754	3.1
373.28888	6.1
375.30365	3.7
391.29892	61.8
392.30273	5.0
393.31473	59.0
394.31601	4.1
409.30972	35.6
410.31058	2.3
419.29282	6.8
427.31815	3.8
437.30447	17.3
455.31540	6.3
458.17816	1.7
463.48846	1.8
655.36157	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05511	7.8
57.03424	2.8
57.07074	3.1
57.89034	1.8
67.05499	9.6
69.03423	9.7
69.07064	11.8
70.22364	4.3
79.05486	5.8
81.03423	10.4
81.07049	25.8
83.08614	9.6
85.02895	22.5
87.00824	11.7
91.03954	1.9
91.05489	7.5
93.07037	22.2
95.08596	52.0
95.76586	1.6
97.02882	13.7
97.10168	4.9
99.04465	4.6
105.01868	12.7
105.07021	23.8
107.08580	39.4
107.09254	2.8
109.02872	12.3
109.06512	3.2
109.10144	29.9
111.08084	5.0
111.11762	2.0
113.17342	1.8
117.01831	1.7
119.08566	40.8
119.09412	2.2
121.10138	38.4
123.08060	2.1
123.11686	12.2
127.03899	17.0
131.08545	16.9
133.10109	30.1
135.11685	27.3
137.13252	5.4
143.08545	4.9
145.04962	5.5
145.10117	25.4
147.11650	28.5
149.13216	15.0
151.11243	1.9
151.14926	1.9
153.09096	2.4
157.10124	5.7
159.02898	4.5
159.11655	23.6
161.13254	20.5
163.03925	3.5
163.14804	25.5
164.67342	1.8
169.10094	1.6
171.11696	4.7
173.04419	4.0
173.13232	13.4
175.14796	19.0
177.09135	2.4
177.16335	13.9
179.14284	4.3
183.11751	2.5
185.13229	7.5
187.14803	29.3
189.16345	28.6
191.10698	1.7
191.14322	2.8
191.17921	80.4
192.18263	4.1
199.14833	6.8
201.16360	51.5
201.18112	3.6
203.17944	30.3
205.15843	18.4
205.19536	5.4
207.17412	20.7
213.03899	2.9
213.16411	7.3
215.14166	1.8
215.17850	8.7
217.19518	9.0
219.17424	13.0
221.18968	2.6
221.37460	1.7
227.17938	4.2
229.15906	4.1
229.19475	11.6
231.04962	6.9
233.15359	1.8
233.19092	1.8
241.19472	46.2
243.21173	2.9
245.18983	1.8
247.16872	17.7
249.18376	2.3
253.19514	2.3
255.20963	4.2
265.17828	8.6
269.22522	2.5
295.24185	3.1
391.33560	15.5
409.34631	100.0
410.34875	3.8
411.36377	2.6
427.35730	37.0
433.08569	2.1
437.34009	21.3
455.35159	48.4
456.35489	2.8
473.36380	11.7
657.39795	2.9
685.39087	1.9
703.40179	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	738.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.6
57.03418	14.8
67.05505	70.9
71.19221	13.6
72.25331	10.8
79.05483	72.0
79.22404	13.4
81.07052	51.7
82.27124	11.6
84.90500	12.5
87.42898	11.7
87.62779	10.5
91.05487	60.4
93.07046	59.1
93.87885	12.5
95.04953	23.6
95.08603	52.1
105.07038	37.2
109.10143	10.9
117.88144	11.6
119.08532	21.9
120.90866	13.0
131.08585	12.6
147.11668	17.3
157.11734	14.0
190.19926	15.4
213.02608	11.3
281.17535	33.7
335.25742	50.4
515.29584	13.2
524.38879	14.2
541.38806	100.0
545.41681	14.2
594.46539	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	739.171
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99795	0.3
69.03418	0.2
69.46112	0.4
79.92587	0.1
81.03403	0.2
85.02921	0.1
88.71813	0.1
97.02857	0.2
104.13512	0.1
108.52393	0.1
109.02870	0.2
121.02863	0.2
127.03899	0.2
135.04417	0.1
137.02315	1.4
143.04897	0.1
145.02757	0.1
147.04366	0.2
149.02328	0.3
157.06477	0.3
161.05945	0.3
163.03894	1.4
164.04254	0.3
165.01851	0.2
171.04413	0.2
175.03935	0.2
181.04939	0.1
185.05998	0.4
189.05437	0.4
193.05061	0.2
213.05475	1.4
216.04259	0.2
217.04948	0.1
231.06551	0.6
241.04964	0.7
259.05896	0.2
269.04337	0.3
287.05469	100.0
288.05783	3.8
329.06680	0.2
449.04681	0.2
449.10767	2.6
450.10519	0.1
533.12982	0.7
534.11804	0.2
577.11829	12.9
578.12109	1.2
721.84650	0.1
739.17395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.293
Annotation	Unknow
Peak:m/z	Relative Intensity
78.44151	0.7
82.86746	0.7
111.04491	0.7
135.04410	0.8
136.04709	0.9
139.03896	1.2
163.03889	1.8
164.04140	0.7
167.03127	2.6
190.05937	1.1
193.78772	0.7
202.06009	4.0
203.06596	1.1
217.62665	0.7
221.06163	0.8
246.04979	4.8
247.05626	1.9
283.12961	1.0
289.06790	2.3
297.14590	100.0
298.15073	6.1
303.08200	0.7
315.15521	1.7
338.17389	1.7
351.08545	0.7
355.18713	1.7
363.10458	0.9
371.18298	1.3
375.10507	1.4
376.05124	0.9
391.10040	5.9
407.09354	3.4
409.10876	6.4
515.13525	0.7
557.10291	1.3
575.11670	1.3
651.24084	4.2
666.26385	92.2
667.26904	10.5
739.16461	2.6
739.29199	55.8
740.29523	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	740.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01862	0.1
69.17540	0.1
69.17945	0.3
77.03923	0.4
79.05490	1.2
85.02862	0.1
95.04960	2.0
97.02899	0.1
98.22699	0.1
105.04512	0.8
107.04944	100.0
107.20975	0.1
108.05270	1.7
111.85769	0.1
124.10196	0.1
153.54015	0.1
161.04425	0.1
213.09090	0.3
267.08652	0.1
293.71213	0.1
355.75656	0.1
521.53888	0.1
740.18140	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	740.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65276	0.4
55.01867	0.7
55.05505	5.4
56.40016	0.5
57.03426	2.3
59.04990	0.4
61.02922	1.0
65.03941	0.8
67.05498	4.7
69.03419	1.3
69.07055	0.6
71.01352	0.5
71.04990	0.6
78.86597	0.4
79.05480	1.7
81.03419	2.2
81.07050	2.1
83.04974	46.6
85.02896	100.0
85.06539	0.4
86.03233	1.0
87.04472	0.7
89.03889	0.9
91.05479	2.2
93.07035	2.0
95.04967	1.3
95.08585	1.7
97.02878	1.3
97.06519	0.6
98.22698	1.0
99.04504	0.5
101.06010	0.6
105.01849	0.4
105.07023	1.5
107.04961	0.9
107.08585	1.7
108.08900	0.5
109.10146	0.4
111.04435	24.7
117.03394	0.9
119.08593	1.2
121.10108	1.0
125.09549	0.5
127.03902	6.2
127.07415	0.5
129.05463	12.5
129.06961	0.8
133.10103	0.7
135.04416	1.3
135.08040	0.5
135.11694	0.7
143.08507	0.5
145.02846	1.1
145.10103	1.2
147.11684	0.8
149.09576	0.7
151.07614	0.7
157.10117	0.7
163.03885	18.7
163.11198	0.7
171.06508	88.1
172.06839	1.8
175.11217	0.6
181.04956	0.9
193.12271	1.1
199.11147	0.4
199.92734	0.4
208.18045	0.4
209.11639	1.2
211.13095	0.7
231.08583	10.3
231.10704	0.8
267.15799	0.6
283.15414	0.8
285.16846	0.6
287.05429	0.7
325.09064	3.2
346.33176	0.5
437.30386	0.5
438.30957	0.8
455.31577	0.5
456.31891	1.0
474.33026	0.6
475.26715	1.6
493.27774	1.0
555.16986	0.5
739.37610	0.7
740.38757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
53.69640	0.8
54.00522	0.9
55.05506	6.3
56.77160	0.9
57.03431	3.8
61.02913	4.4
65.03936	1.1
69.03429	5.9
69.37331	3.6
71.04987	40.2
75.04465	3.2
81.03385	5.5
83.04465	1.7
83.04974	50.4
85.02895	68.7
86.03252	0.9
87.04458	5.5
91.05487	2.6
95.04971	1.3
96.77605	0.9
97.02903	4.3
98.23431	2.0
99.04458	1.7
101.02354	1.0
101.05978	1.0
103.03945	2.4
109.02877	7.5
111.04430	68.9
112.04756	1.6
113.05998	17.0
115.03920	3.5
117.05481	10.5
118.01340	0.9
119.04926	1.5
121.24305	0.9
127.03900	11.7
129.05461	66.7
135.04422	4.9
136.04810	1.0
136.59399	0.9
137.05917	1.3
139.03874	3.1
145.02829	1.5
145.04944	2.5
151.07509	11.9
153.05429	1.6
157.06474	1.8
163.03888	12.1
163.07613	1.0
164.04236	5.9
165.04402	1.3
165.09090	3.5
169.04985	1.9
171.06508	68.8
172.06822	1.4
175.07553	1.1
179.07022	3.0
181.04977	2.5
187.06013	3.7
189.07558	100.0
190.08006	2.5
193.08583	6.3
199.07567	1.9
205.07069	4.4
213.56882	1.1
217.08612	2.3
227.07222	1.1
231.08514	13.0
235.09630	3.3
237.07593	1.9
255.08804	1.4
259.09641	10.8
261.11270	3.1
277.10654	16.8
279.12265	1.6
287.05490	1.3
288.05814	1.0
297.09698	3.0
319.11737	3.8
337.12698	5.4
343.07898	1.0
355.13910	1.5
375.12866	2.1
551.65192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
54.14802	0.3
55.01871	0.5
55.05507	4.4
57.03436	1.8
60.46635	0.3
61.02911	1.0
65.03941	0.8
66.90798	0.3
67.05496	1.6
69.03423	1.3
69.23436	1.7
71.01343	0.5
71.04968	0.6
79.05473	0.4
81.03408	1.2
83.04974	40.3
83.26085	0.3
84.05289	0.5
85.02896	100.0
86.03239	1.1
87.04454	0.8
89.03907	2.1
90.04240	0.6
91.05466	0.7
93.03394	0.5
95.04956	0.5
97.02879	1.4
99.04432	0.8
101.05986	0.3
103.03977	0.5
107.04953	1.4
109.02883	2.4
111.04430	24.7
112.04764	1.0
117.03374	2.1
118.03690	1.0
119.04896	0.4
127.03908	8.4
127.04857	0.4
129.05466	13.2
130.05751	0.3
135.04408	6.3
136.04724	1.7
137.04921	0.8
137.05956	0.4
139.03908	3.5
140.04259	0.6
145.02832	2.8
145.04893	0.6
146.03157	1.2
151.07565	1.9
162.07628	0.4
163.03888	31.0
164.04218	12.9
165.04424	4.5
165.09032	0.6
171.06506	89.5
172.06906	1.4
181.04926	1.9
182.05229	0.7
187.05997	0.8
189.07559	60.2
190.07927	1.0
190.25566	0.3
193.08591	0.9
202.99863	0.3
205.07004	0.4
209.15363	0.6
222.34628	0.3
259.09653	1.7
277.10663	2.3
287.05475	0.5
288.05945	0.4
296.06216	0.4
298.07565	0.6
319.11679	0.7
327.07654	0.5
333.11697	0.7
337.12668	0.7
343.08084	0.4
344.08279	0.6
357.11575	0.5
375.12787	2.7
530.32397	0.3
543.20288	0.8
561.09418	0.4
589.55865	0.3
741.12866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01854	4.6
55.05501	11.0
57.03414	3.4
57.07050	4.7
59.04990	1.3
61.02906	2.7
65.03938	2.7
66.66167	1.2
67.05495	80.6
68.99793	2.3
69.03419	18.1
69.07059	16.0
71.04980	9.3
71.08607	1.2
73.02902	2.0
79.05484	50.0
81.03409	17.9
81.07047	100.0
83.04966	7.6
83.08611	10.9
85.02893	37.8
85.06531	3.3
87.00821	15.9
87.04479	1.9
91.05464	29.0
93.07032	62.9
95.04963	9.7
95.08592	66.9
97.02873	13.8
97.06525	6.0
97.10153	4.3
98.23546	1.7
99.04453	6.4
99.08096	1.5
103.05471	1.9
105.01853	15.7
105.04512	2.4
105.07008	19.5
107.04957	4.2
107.08581	34.5
109.02867	12.5
109.06511	4.4
109.10138	36.7
111.04453	8.8
111.08066	3.1
111.11684	1.7
113.09625	1.7
115.03899	1.6
117.03338	1.4
117.06979	6.0
119.08559	23.1
121.06507	7.7
121.10126	34.2
123.08038	2.9
123.11694	31.3
125.05982	10.7
125.09640	1.4
127.03899	19.9
128.06108	1.2
129.05486	8.5
129.06996	4.8
131.08543	9.6
133.10114	22.9
135.08049	4.3
135.11679	26.3
137.09590	3.3
137.13232	19.4
139.07510	8.8
141.09059	1.3
143.07045	3.1
143.08549	2.7
145.02773	1.8
145.04916	5.4
145.10107	6.5
147.07985	1.8
147.11681	15.0
149.09587	4.0
149.13228	15.5
151.07533	1.6
151.11168	1.6
151.14828	8.0
153.09090	2.7
157.08685	1.5
157.10149	4.3
158.88501	1.3
159.02844	3.0
159.11707	6.3
161.09599	3.8
161.13200	8.9
163.03871	11.5
163.11107	3.1
163.14821	9.0
165.09084	2.3
167.10599	2.7
171.06491	2.8
171.11687	5.0
173.09622	1.5
173.13223	2.8
175.11142	4.5
175.14835	7.1
177.12729	3.0
177.16360	2.7
179.10597	4.0
181.12221	3.5
185.13226	4.1
187.14769	3.5
189.03896	1.5
189.07550	2.8
189.12740	5.0
189.16389	1.7
191.10533	1.6
191.17914	1.5
193.12224	9.3
195.13805	3.8
199.14819	2.0
203.14273	3.3
207.13759	3.4
207.30405	1.4
209.11694	5.9
211.13235	4.0
213.03911	3.4
213.16339	2.1
215.18001	3.2
217.19473	41.4
221.15295	1.3
227.12659	1.8
231.05064	4.9
231.21121	3.1
233.22528	2.2
235.20549	13.3
241.19484	10.2
249.06052	2.4
257.93103	1.2
259.20535	17.7
267.15900	2.0
277.21603	61.1
278.21909	3.7
283.15558	3.6
285.16757	2.2
287.05310	1.6
295.22635	83.5
296.22958	5.0
301.16571	1.7
313.23746	3.9
319.22577	1.9
367.10010	1.9
367.22464	1.7
385.23712	3.5
403.24643	4.9
421.26022	1.9
475.26624	4.3
489.24600	3.0
493.27689	4.8
507.25729	10.1
511.28732	3.0
525.27130	4.4
740.40759	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01858	7.5
55.05502	24.2
55.29572	1.6
57.03428	20.0
57.07062	3.7
59.04976	3.6
61.02914	4.9
65.03925	3.0
67.05499	57.1
69.03419	2.1
69.07056	14.1
71.04995	3.1
75.87924	1.6
77.03898	2.6
78.58459	1.7
79.05486	44.1
81.03413	11.7
81.07047	58.5
83.01332	7.3
83.04988	10.3
83.08611	15.9
85.02882	12.1
85.06503	2.7
91.03980	2.4
91.05466	27.2
93.07035	54.7
95.04958	8.3
95.08592	44.2
97.02873	4.4
97.06511	6.1
97.10175	5.1
98.23454	4.0
99.04429	2.2
105.07021	19.7
107.04942	7.2
107.08588	32.0
109.06507	7.0
109.10133	14.9
111.04417	4.0
111.75298	1.7
117.07014	10.3
119.08574	17.6
121.06494	4.2
121.10133	21.8
123.08046	11.1
123.11706	6.1
123.65450	1.6
125.09651	3.0
129.06923	2.2
131.08553	13.8
133.10091	10.2
135.08003	2.2
135.11691	20.4
137.09584	2.7
145.10101	20.3
147.11673	5.2
149.13217	4.0
153.12741	4.2
155.08531	4.5
159.11693	8.0
161.13242	5.6
163.11148	26.8
163.14784	4.8
173.09625	2.2
173.13266	5.0
175.14719	1.9
181.12241	3.8
185.13341	1.6
191.10701	2.4
209.11717	7.4
211.13271	2.5
227.12721	9.5
243.21004	7.2
261.22101	15.3
283.15366	100.0
284.15717	2.2
299.23767	4.2
306.81177	1.9
317.24707	5.2
335.25757	98.7
336.26089	4.5
451.31885	2.6
469.32675	2.8
515.36627	2.2
525.35645	3.4
532.99939	2.1
543.36731	72.6
544.37585	2.8
561.37689	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	740.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01867	6.6
55.05509	15.9
56.62158	1.0
57.03426	10.5
59.04981	2.5
61.02909	4.6
67.05497	35.6
69.03430	1.3
69.07056	9.1
70.73147	1.0
71.04977	2.0
73.02906	1.5
74.82166	1.1
75.91734	1.0
79.05484	29.1
81.03404	8.8
81.07050	38.8
83.01323	6.5
83.04972	8.6
83.08606	10.6
85.02893	5.3
91.05475	17.7
93.07033	38.5
95.04948	6.4
95.08595	24.1
96.89931	1.0
97.02851	3.2
97.06534	3.2
97.10159	3.0
98.23495	2.2
99.04464	2.7
103.05437	1.1
105.04480	1.2
105.07024	11.4
107.04935	5.1
107.08582	20.0
109.06509	4.9
109.10148	9.4
111.04404	1.2
111.08060	1.8
117.07027	7.8
118.36093	1.1
119.08560	11.8
121.06501	2.6
121.10129	17.4
123.08046	4.9
123.11764	2.7
125.09632	2.6
129.06999	1.7
131.08545	8.0
133.10089	6.9
135.08058	1.3
135.11667	12.9
135.20433	1.0
137.09592	2.3
139.11082	1.4
143.08505	1.4
145.06433	1.1
145.10091	16.2
145.86479	1.0
147.08115	1.7
147.11670	3.8
149.13216	3.1
151.11163	1.3
153.12677	2.1
159.11684	4.7
161.13248	2.0
163.11159	16.1
163.14767	3.4
173.09648	2.3
173.13228	3.9
181.12189	3.6
184.07355	2.8
187.14703	1.9
189.11140	1.2
191.10605	3.2
193.12195	1.3
209.11644	9.3
227.12752	9.9
243.20955	3.4
261.22113	12.7
261.50323	1.1
283.15369	100.0
284.15778	2.8
288.85861	1.2
299.23679	3.7
317.24777	2.7
333.24570	1.1
335.25769	67.9
336.25854	2.4
340.46008	1.2
444.34561	1.1
451.31775	3.9
469.32904	3.1
525.35620	3.7
543.36676	45.5
544.37140	1.9
561.38135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01868	6.2
55.05508	6.8
57.03429	4.1
65.00056	2.6
66.97287	2.5
67.05491	26.2
69.07069	16.4
71.04996	3.5
79.05473	17.1
81.03403	4.2
81.07044	36.5
83.04979	5.1
83.08610	5.6
91.05480	20.2
93.07027	20.8
94.46883	3.0
95.01366	4.2
95.04969	6.4
95.08595	11.3
97.06512	9.0
98.23499	6.8
105.07000	26.6
107.04958	3.8
107.08574	10.2
109.06470	4.7
109.10116	4.4
117.07015	8.0
119.08549	19.1
121.10120	7.6
123.11679	2.5
131.08553	11.2
133.10092	17.9
135.11688	6.1
145.06415	2.8
145.10080	7.4
146.98871	2.3
147.11646	5.0
149.09734	3.0
149.13263	6.0
159.11696	7.0
161.13229	3.4
162.40169	2.4
164.97774	2.3
174.92531	2.6
179.14296	4.5
184.07320	5.4
195.13811	2.9
269.17419	31.4
275.20053	32.1
283.15414	3.3
310.57233	2.5
330.13354	2.4
349.23596	14.2
485.98056	2.6
543.36713	100.0
544.37274	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	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.8
53.04132	0.4
55.01867	2.3
55.05505	14.8
55.05750	0.5
56.60528	0.3
57.03432	9.5
57.07037	1.6
61.02880	1.8
65.01183	0.4
65.03939	2.1
67.05498	41.6
69.03370	1.2
69.07062	13.1
69.27869	0.8
69.28275	1.4
71.04980	2.9
73.02872	1.2
77.03902	0.5
79.05485	38.0
81.03375	1.8
81.07048	41.8
83.04987	2.8
83.08605	8.6
85.02869	1.1
85.06516	0.6
91.05469	15.5
93.07034	49.0
94.07331	0.6
95.04961	9.1
95.08596	49.4
96.08891	0.6
97.02868	2.6
97.06504	4.0
97.10161	2.1
99.04448	3.9
103.05376	0.6
105.04458	1.4
105.07019	11.2
107.04945	6.8
107.08582	30.4
107.92160	0.4
108.08876	0.4
109.06496	2.4
109.10134	10.1
111.04396	1.0
111.08046	1.5
111.11667	0.5
113.05973	0.4
113.09617	0.7
115.05476	0.6
117.07001	8.1
119.07767	0.7
119.08569	12.0
121.06498	5.0
121.10129	16.1
122.10477	0.5
123.08027	1.3
123.11704	3.1
125.05971	2.4
129.06979	1.0
130.07732	1.4
131.08530	4.3
133.09187	0.5
133.10117	5.2
135.08022	1.4
135.11676	37.9
136.11974	0.8
137.09517	0.6
137.13216	1.5
139.07500	1.1
143.08548	0.9
145.10110	21.6
147.11652	2.2
149.13203	2.9
153.12680	1.1
155.08463	0.6
159.11623	2.1
161.13217	2.4
162.36470	0.4
163.11160	43.0
163.14778	1.4
164.11450	1.2
173.09586	0.9
173.13252	1.8
175.14757	0.5
177.16304	0.6
181.12213	6.6
184.07283	0.8
187.14754	1.0
209.11641	1.5
227.12750	50.5
228.13072	1.0
242.58586	0.5
243.21147	2.3
261.22104	6.8
262.22406	0.5
283.15366	52.2
284.15808	1.1
295.49133	0.4
317.24591	2.6
335.25760	100.0
336.26038	4.9
341.70908	0.5
543.36755	76.0
544.37079	5.6
567.46088	0.5
599.51141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01866	4.2
55.05504	19.4
57.03430	12.0
57.07066	2.4
61.02921	1.6
65.03926	1.9
67.05498	48.8
69.03416	2.4
69.07063	14.4
71.04979	3.0
71.30265	0.9
73.02906	1.5
79.05484	44.8
79.05946	2.2
81.03412	3.4
81.07047	51.8
83.01353	0.8
83.04962	4.6
83.08612	11.6
85.02899	1.4
91.05464	18.4
91.05986	1.6
93.07034	61.8
95.04974	10.6
95.08596	60.4
97.02888	4.1
97.06496	4.3
97.10151	2.3
99.04457	4.7
99.08087	1.1
103.05515	0.9
105.04526	2.1
105.07018	13.3
107.04945	8.0
107.08583	37.8
109.06507	2.9
109.10152	13.5
111.04436	2.5
111.08071	2.1
113.05991	1.5
117.07011	11.5
119.08578	16.0
121.06490	6.0
121.10118	22.9
123.08065	1.3
123.11707	2.3
125.05977	3.0
129.07037	2.2
130.07780	1.1
131.08572	5.4
133.10129	6.9
135.08061	2.3
135.11678	56.1
139.07550	2.2
145.10107	35.5
146.10422	1.3
147.11656	3.1
149.13249	4.2
150.08659	1.0
153.12834	1.2
155.08585	1.1
159.11647	2.9
161.04298	0.8
161.13248	1.4
163.11162	62.0
163.14787	1.4
164.11507	0.9
173.09621	0.8
173.13248	2.6
175.14861	0.9
181.12181	10.0
187.14830	1.6
202.69672	1.1
205.39354	0.9
209.11792	1.2
216.40099	0.9
227.12741	85.4
228.13078	1.8
243.21017	2.9
261.22089	9.0
283.15366	100.0
284.15677	2.9
317.24847	2.8
335.25760	97.2
336.26108	4.3
543.36743	88.1
544.37061	6.2
546.26038	1.0
599.21588	1.1
764.67419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
59.16789	0.8
69.03432	3.0
69.45320	3.7
70.50418	0.8
71.04993	1.2
74.14030	0.9
79.05520	1.6
81.03426	3.5
81.07053	2.1
85.02900	4.5
87.00849	2.4
87.24220	0.8
91.05482	1.4
93.07034	4.1
95.04966	1.1
95.08580	1.1
97.02905	1.9
105.07039	3.7
107.04968	1.2
107.08608	2.8
109.02807	2.8
109.93761	0.9
115.05514	1.1
119.08599	3.2
123.04217	1.0
127.03938	3.0
131.08585	2.3
133.06488	1.2
135.04427	1.4
135.11760	2.0
141.05202	5.3
147.11717	2.8
149.13235	0.9
157.10120	1.0
159.03027	0.8
159.11697	4.7
161.05980	1.2
163.03941	1.9
165.49615	0.9
177.12740	1.9
181.04834	1.0
217.12091	3.0
227.05406	1.1
241.10448	20.3
257.15234	3.1
271.04276	2.1
275.16119	11.3
298.10880	3.0
326.10141	8.0
354.09851	2.5
361.16281	1.2
363.04953	1.2
377.16016	1.7
379.17245	8.5
393.18909	2.1
419.20404	6.6
421.18341	17.1
437.22052	4.9
461.21411	21.4
462.21799	1.4
465.17361	7.6
479.22598	22.3
489.15497	1.3
505.20374	68.7
506.20932	3.6
523.21429	56.3
524.22003	3.9
533.10797	1.0
534.14136	2.1
543.09326	1.0
561.10065	2.3
637.23267	1.7
641.73810	1.0
697.33887	17.4
698.33795	1.5
741.33008	100.0
742.17517	5.1
742.33392	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	742.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01863	0.2
56.82038	0.1
77.03926	0.4
77.27071	0.1
79.05483	1.4
82.57114	0.1
86.18336	0.1
92.85592	0.1
95.04962	2.3
97.02933	0.1
105.04500	0.9
107.04947	100.0
108.05280	1.2
138.03859	0.1
138.14192	0.1
138.75775	0.1
213.09085	0.4
265.12808	0.1
267.08841	0.3
268.56381	0.1
295.05908	0.1
302.36157	0.1
342.09381	0.1
367.14621	0.1
524.51227	0.1
735.53558	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	742.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01874	0.3
64.50139	0.2
67.42416	0.2
69.83138	0.6
70.88189	0.2
73.05123	0.2
77.03923	0.3
79.05499	1.2
79.05882	0.2
95.04964	2.2
98.23388	0.3
98.93315	0.2
105.04497	1.0
107.04946	100.0
108.05278	2.1
133.06485	0.3
161.05966	0.3
163.04027	0.2
213.09062	0.7
237.11557	0.2
275.42850	0.2
321.04059	0.3
339.05127	0.2
445.69037	0.2
638.22614	1.0
652.14539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
54.76236	3.5
55.05507	21.0
57.03426	14.7
57.07066	5.1
65.03926	4.6
67.05496	67.7
69.07069	25.5
69.65431	13.9
79.05044	4.9
79.05483	61.0
79.16175	3.6
81.03396	8.2
81.07050	100.0
83.04962	9.0
83.08604	15.1
85.06538	5.0
86.09702	5.8
91.05473	66.7
93.07034	84.3
95.04980	10.7
95.08598	31.2
97.06521	11.2
98.15456	4.2
98.22807	4.0
98.23332	7.9
105.04510	6.0
105.07030	58.3
107.08584	49.1
109.10151	9.7
111.08051	7.1
115.05463	3.8
117.06998	23.1
119.08575	49.3
121.10123	30.8
123.08025	3.4
125.09602	3.9
129.07005	9.7
131.08574	21.7
133.10141	38.7
135.11668	16.7
143.08534	8.6
145.10104	15.5
147.11684	43.0
149.13237	34.0
157.10165	8.7
159.11682	29.0
161.13228	26.4
171.11665	13.7
173.13283	9.6
177.12683	8.1
184.07355	23.2
185.13243	11.7
192.91734	4.6
195.13791	9.8
215.17995	3.8
231.21095	7.1
241.19417	28.2
250.88248	3.3
259.20569	75.9
267.15903	14.7
269.17438	81.2
270.18109	4.8
298.10812	7.9
315.23199	9.8
326.10236	17.0
333.24213	57.8
335.25763	8.1
354.09634	6.6
435.32684	6.0
527.37238	62.0
528.37329	5.4
534.13818	6.4
545.37982	13.6
656.70227	4.4
742.17072	7.8
743.17383	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	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01863	2.9
55.05262	1.8
55.05506	24.0
57.03433	20.4
57.07066	2.4
57.25691	1.2
61.02913	3.4
65.03928	2.8
67.05498	72.0
69.03422	5.9
69.07063	17.1
70.58136	3.5
71.04983	4.5
79.05487	55.6
81.03407	61.1
81.07049	68.8
82.07397	1.6
83.04971	14.4
83.08614	28.4
85.02895	24.9
85.06513	4.7
91.03963	2.5
91.05472	50.9
93.06446	2.9
93.07037	56.7
95.04961	30.8
95.08592	43.6
97.02872	5.8
97.06523	6.0
97.10147	5.0
99.08080	2.8
105.00193	1.6
105.04532	2.1
105.06348	2.3
105.07021	31.0
107.04937	6.3
107.08583	23.7
109.06506	4.4
109.10135	19.5
111.08088	8.1
113.06004	2.9
117.07008	6.9
119.08573	29.0
121.10133	25.9
123.08038	4.7
123.11683	5.9
125.09596	2.1
129.06990	9.5
131.08545	20.0
133.06491	3.6
133.10112	18.4
135.11668	10.7
137.09544	3.1
145.10139	10.2
147.08066	3.3
147.11661	18.8
149.09604	4.8
149.13272	7.3
151.11118	1.7
157.10133	13.2
159.11646	6.0
161.13199	3.8
163.14896	1.7
165.12746	3.0
173.13248	4.0
175.11179	13.7
175.14754	3.4
187.14752	1.7
193.12216	39.1
211.13268	59.7
243.20988	3.2
261.22104	12.7
262.72247	1.8
267.15884	13.3
285.16910	59.5
286.17261	2.3
317.24725	2.4
335.25760	100.0
336.26096	3.5
370.14270	1.6
435.32257	2.8
453.33679	2.7
527.37146	13.2
545.38318	99.8
546.38739	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	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01860	2.8
55.05508	23.7
56.39528	1.6
57.03427	19.4
58.95919	1.7
61.02918	3.5
65.03929	3.4
67.05498	58.0
69.03413	3.8
69.07055	13.7
71.04980	5.0
73.02902	2.3
79.05483	46.8
81.03409	56.7
81.07044	57.2
83.04974	16.0
83.08607	21.2
85.02896	25.9
85.06532	2.8
91.05469	40.2
92.05865	1.5
93.07032	41.3
95.04961	31.9
95.08599	32.7
95.09203	2.4
97.02877	4.7
97.06516	4.5
97.10144	4.3
99.08105	1.9
105.04489	2.8
105.07018	25.0
107.04933	5.7
107.08575	20.0
109.06486	5.5
109.10128	11.9
111.04443	3.4
111.08074	8.1
117.07018	6.4
119.08564	25.0
121.10151	17.4
123.08094	2.7
123.11697	5.5
129.06975	12.3
131.08563	14.8
133.10114	13.6
134.10391	1.7
135.11674	6.3
137.09685	2.3
142.07799	1.6
143.08615	1.8
145.10126	6.4
147.08075	2.9
147.11676	15.5
149.09608	4.2
149.13240	3.9
155.08400	1.5
157.10114	12.9
159.11664	4.3
161.13280	4.1
165.12750	2.5
169.61192	1.7
173.13335	3.0
175.11183	13.1
193.12216	44.2
211.13261	78.9
212.13644	1.6
243.21089	4.2
261.22104	9.2
267.15872	19.1
285.16919	79.7
286.17273	3.0
317.24603	2.4
335.25751	83.2
336.26120	4.8
350.68832	1.5
410.33539	1.6
435.32352	3.3
453.33731	2.6
471.34668	1.8
527.37231	12.1
545.38312	100.0
546.38354	5.8
718.79279	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49887	0.5
65.63826	0.6
66.13737	0.5
69.76978	0.6
69.95033	1.8
74.32344	0.5
78.61954	0.5
79.05490	0.7
89.03925	2.0
91.60464	0.6
95.04945	0.6
107.07315	4.3
117.03406	2.7
125.05992	1.1
128.51073	0.6
135.04428	3.4
136.21474	0.5
145.02858	3.1
146.02922	0.6
163.03885	12.4
182.09734	1.5
194.09705	0.8
196.07649	1.0
197.08316	3.1
198.09209	1.3
208.07591	1.2
209.08472	0.7
210.09119	3.5
211.09956	2.5
212.07053	1.3
212.10675	1.2
214.12328	2.4
220.07639	1.1
222.09195	1.2
223.06224	4.7
223.09702	0.6
224.07071	2.3
225.07959	1.5
226.08621	5.5
227.09500	2.3
235.06360	1.0
236.07014	6.1
237.07831	10.7
238.08580	4.6
239.09348	2.6
240.06535	1.3
240.10164	12.0
240.12395	0.9
241.07397	0.7
241.10866	1.3
242.11774	3.6
249.08020	1.5
250.08632	0.7
251.05862	1.7
252.06522	4.6
252.10284	2.5
253.07053	1.0
254.08163	1.9
255.08833	3.6
256.09589	1.6
262.05109	1.5
263.05765	18.1
264.06500	4.2
265.07144	2.9
266.08105	8.6
267.08749	4.8
268.06326	0.9
268.09625	8.4
269.10385	11.2
270.11203	6.1
271.11581	1.2
276.06677	1.1
278.08054	2.8
279.02618	0.6
279.05457	2.0
279.08789	0.8
280.06171	1.7
280.09790	2.3
281.06555	0.8
281.10541	0.7
282.07742	2.8
282.11316	5.2
283.08380	9.6
284.09140	15.5
285.09686	0.7
290.04626	1.0
291.05225	1.6
294.07584	4.0
295.08359	17.9
296.09137	6.9
297.09882	15.8
298.10696	32.8
299.11090	5.9
306.07657	1.3
308.05585	3.1
308.09204	1.8
310.10681	9.8
311.07983	1.5
311.11218	0.6
312.08600	17.2
313.09155	1.3
322.07199	2.0
323.07846	30.9
324.08490	3.1
325.09601	1.8
326.06281	1.6
326.10193	33.4
327.10883	41.3
328.07947	0.8
328.11435	1.9
338.10208	6.1
340.08066	4.6
354.09677	4.4
355.10452	44.4
356.11002	2.4
368.07669	3.9
372.10706	1.7
373.11472	3.1
383.09955	16.3
384.10562	0.7
388.83228	0.6
401.11154	1.5
506.14746	2.1
518.14667	0.7
534.14038	2.3
535.14642	40.9
536.15118	2.4
563.14093	18.4
581.15118	3.5
743.18292	100.0
744.18665	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	743.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
57.03424	2.2
61.02920	7.0
62.37563	0.5
67.05500	6.6
69.03416	3.5
69.07060	1.7
71.04997	1.1
71.37090	0.5
73.02909	5.2
76.76681	0.5
79.05487	5.5
81.03422	2.1
81.07041	6.5
82.21478	0.5
83.04967	0.8
83.08601	1.2
85.02893	6.7
87.02083	0.5
88.07055	0.5
91.03947	5.3
91.05472	3.7
93.07033	6.8
95.04961	1.3
95.08593	5.2
97.02883	6.6
97.06564	0.6
99.04453	0.9
101.02377	2.4
103.03951	0.9
105.07042	2.2
107.04938	0.6
107.08552	2.2
109.02898	0.9
109.10162	2.0
112.94621	0.5
113.62816	0.5
117.07059	0.8
119.08602	1.8
121.10127	2.4
127.03886	2.6
129.07013	0.6
131.08572	1.4
133.10115	1.3
135.11711	1.5
145.10106	1.6
147.11700	1.9
159.11667	0.6
161.13263	0.7
171.11766	1.1
185.04224	1.1
203.05428	0.6
243.08383	3.7
247.13095	2.1
270.82498	0.5
298.22733	0.5
335.25751	0.8
382.73318	0.5
465.20889	7.6
519.29163	9.8
520.29749	0.7
743.43231	100.0
744.43610	8.9
763.99139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	2.6
65.84744	1.2
69.59467	1.0
79.05508	1.4
81.03443	1.4
91.05482	4.2
92.05006	1.7
95.04967	2.3
101.18629	1.1
107.04967	1.9
119.04961	3.1
120.04451	17.5
123.04421	7.9
124.07635	2.0
132.04474	3.2
133.02905	2.5
133.05234	2.9
134.06047	1.9
137.02405	6.0
138.05544	3.5
139.03876	1.9
146.06058	2.6
148.03928	39.1
149.02382	2.7
149.04762	6.3
149.05870	1.4
150.05440	1.2
151.03986	1.4
151.06291	2.6
152.07092	3.3
154.75800	1.2
158.06001	2.2
158.32928	1.2
159.04408	1.8
162.05498	7.9
163.03952	3.9
163.06310	2.8
164.03500	3.0
164.07083	7.6
165.06966	10.3
166.04980	2.0
166.08626	2.2
167.03508	1.7
168.06590	3.5
169.06566	1.8
170.05933	1.4
174.05554	3.8
176.03493	5.4
176.07161	2.7
177.01855	1.7
177.04173	3.9
177.06972	1.7
178.04935	1.6
180.06532	16.0
180.07993	2.0
183.78947	1.3
184.07640	1.8
187.03932	5.3
190.05023	4.1
191.03427	1.6
192.02832	1.9
192.06577	5.4
193.06433	7.5
195.02902	2.4
197.06065	2.9
198.05481	1.9
199.06268	1.9
200.07086	3.2
202.05046	2.4
202.08667	2.4
205.06549	5.7
208.06033	49.3
209.06418	1.7
210.05504	1.4
211.07585	3.0
212.07153	4.5
213.01938	2.3
215.05832	2.9
216.06642	2.3
221.05963	33.7
221.08058	1.8
223.07573	10.1
224.07120	2.2
225.05528	16.1
225.07756	2.7
226.08768	2.6
227.05910	4.0
228.06537	9.7
229.03714	2.2
229.07263	7.8
230.08229	4.9
233.06061	5.0
235.06100	1.7
236.07063	2.7
239.07253	8.4
240.06631	5.7
241.07437	3.8
242.04529	2.1
242.08054	7.3
243.05350	2.4
243.08855	1.4
244.06079	6.3
244.09770	2.3
249.05452	34.1
249.07863	2.2
250.06158	2.5
250.08609	1.8
251.07147	10.3
252.06621	4.2
253.05112	9.6
253.07275	2.0
254.04572	2.7
254.08199	5.3
255.05391	6.1
255.06279	5.1
255.08929	1.8
256.06110	5.4
256.09756	4.6
257.03204	1.7
257.06934	3.8
258.07599	25.7
259.08273	2.7
260.09256	1.5
263.05814	1.3
264.06711	1.5
266.05661	2.1
266.08301	3.4
267.06497	13.8
267.08820	1.5
268.06155	7.3
268.09744	3.5
269.04410	4.4
269.08191	2.6
270.07565	11.8
271.08466	4.3
272.05606	8.1
272.08826	1.5
273.06335	2.5
274.10907	2.4
277.04938	27.1
277.07877	1.9
278.05789	3.0
278.08423	2.0
279.06561	6.1
280.06247	3.9
281.06931	2.1
282.04593	1.3
282.07745	4.1
283.08377	1.6
284.09103	9.4
286.07120	21.8
286.10483	2.4
287.07858	17.5
288.08606	2.8
291.05469	1.5
294.07761	2.9
295.05988	52.5
296.05896	5.4
296.09338	5.2
297.07257	5.2
298.07162	6.1
300.05301	2.1
300.08694	6.2
302.10269	4.3
304.08466	1.6
306.07584	2.5
309.06369	6.6
310.07285	2.1
312.08743	8.7
313.07077	2.0
314.06653	8.3
314.10330	4.8
315.07315	11.6
315.10416	1.4
316.08258	3.1
321.03922	6.0
322.07047	6.9
323.05389	20.8
323.08557	1.5
324.08835	5.1
325.07114	3.8
328.08221	6.3
330.09723	6.1
332.07614	28.0
333.08383	8.6
340.08179	9.9
341.06561	3.4
342.09842	6.2
344.07675	2.0
346.09354	2.7
348.10977	2.8
350.06876	2.8
358.09109	11.4
360.10864	4.8
362.08841	4.3
368.07788	4.6
374.09052	2.1
376.10257	15.9
386.08536	9.7
389.07437	2.1
404.09705	21.6
422.10764	16.5
474.11789	6.5
502.11603	1.6
520.12225	14.5
548.12201	4.7
654.12689	4.8
655.13116	8.5
670.15515	2.6
678.00977	1.4
680.13855	5.0
682.15131	6.5
698.15344	7.1
708.13629	1.8
716.15845	2.9
726.14825	3.9
744.15472	100.0
745.15961	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	744.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.29527	0.6
65.03944	1.2
65.20065	0.6
70.93203	1.0
77.03916	1.0
79.05479	0.9
81.03408	1.2
85.02927	0.8
91.05496	1.7
92.05056	0.9
95.04931	3.2
105.03391	0.7
107.01366	0.7
107.04972	2.0
111.04442	1.0
119.04933	1.0
120.04449	7.3
121.02863	2.6
122.06033	0.8
123.04432	6.1
124.07628	2.5
129.07022	0.9
131.04936	2.2
132.04439	1.3
133.02875	1.3
133.05247	1.3
134.06020	0.8
135.04448	1.8
137.02342	6.4
137.05988	1.7
138.05527	2.6
139.03996	0.8
146.05981	1.1
147.04462	1.3
148.03922	20.8
149.02371	2.4
149.04745	5.2
149.05917	1.5
150.05507	1.7
151.03969	1.5
151.06395	1.0
152.07088	2.4
153.06992	1.0
156.05675	0.7
158.06070	2.2
159.04427	1.6
159.06778	0.9
160.07687	0.8
162.05450	4.3
163.03934	2.3
163.06358	1.7
164.03448	3.7
164.07095	4.8
165.06958	13.2
166.04985	1.7
166.08621	1.6
167.07152	0.8
167.08560	0.6
168.06544	1.2
169.06555	1.7
170.06041	1.8
172.07587	2.0
173.18578	0.7
174.05511	3.6
176.03467	2.8
176.07275	1.4
177.01889	2.6
177.04202	2.4
177.05576	1.2
177.07051	2.3
178.05019	1.7
180.06540	9.1
180.07954	1.1
181.06581	1.3
183.06712	1.0
184.04018	0.8
184.07610	2.5
186.09175	1.1
187.03886	6.3
188.07085	1.2
190.05040	1.2
192.02966	1.2
192.06549	5.5
193.06450	9.8
195.03026	1.0
195.08116	0.8
196.07561	1.5
197.06036	3.6
197.08421	0.9
198.05522	2.3
199.06326	2.0
200.07043	5.9
201.07861	1.2
202.05075	1.3
202.08704	2.6
205.06458	7.4
207.06804	1.1
208.06020	23.8
209.04587	0.9
209.06534	0.9
210.05533	0.9
211.07610	4.5
212.05339	1.1
212.07138	5.0
213.01871	2.1
213.07922	1.5
214.05022	2.9
214.08588	3.3
215.05646	4.0
216.06497	5.4
216.10149	1.1
221.05937	39.6
222.06482	1.7
223.07602	10.3
224.04935	0.8
224.07112	2.0
225.05487	19.6
225.07713	1.8
226.05043	2.5
226.07101	2.8
226.08780	2.2
227.05823	2.5
228.06483	14.6
228.08449	0.8
228.10103	1.2
229.03856	0.9
229.07301	8.6
230.08052	6.2
231.02872	1.4
233.05957	5.8
235.06284	1.0
236.07126	1.9
237.07797	0.9
238.04948	1.6
238.08649	2.0
239.07083	12.3
239.09383	1.2
240.06433	4.4
241.07077	3.8
242.04466	1.5
242.08092	10.2
243.05316	2.2
243.08920	1.8
244.05988	4.8
244.09731	1.7
249.05450	39.4
250.06145	3.5
250.08618	1.1
251.07217	9.9
252.06548	4.7
253.05099	10.9
253.07411	2.0
254.04437	3.2
254.08040	4.3
255.05414	6.4
255.08992	1.7
256.06055	5.8
256.09537	4.7
257.06735	6.7
258.07590	33.4
259.03912	2.0
259.08334	2.3
260.09207	1.7
261.05466	1.6
263.06223	0.7
264.06683	2.1
265.04800	0.7
266.08234	2.9
267.06500	15.5
268.06155	6.8
268.09705	3.8
269.04425	2.1
269.07324	1.3
270.07550	12.0
271.05969	1.2
271.08435	3.5
272.05634	7.6
272.09180	4.3
273.06277	1.1
274.07538	0.8
274.10751	1.5
277.04935	35.6
278.05585	3.4
278.08298	1.1
279.06531	7.0
280.06073	2.4
280.09573	0.8
281.04272	2.2
281.06952	1.5
282.04404	1.7
282.07693	3.6
283.04819	0.7
283.08340	0.7
284.06073	1.3
284.09082	7.4
285.06662	1.2
285.10193	0.9
286.07123	28.7
286.10687	3.2
287.07858	8.5
288.08685	2.2
291.10190	1.2
292.10358	1.0
294.04861	1.5
294.07867	3.5
295.05960	53.7
295.39032	0.7
296.05908	3.9
296.09302	6.5
297.07153	3.4
298.07083	3.9
298.10699	1.1
300.05072	1.9
300.08719	4.9
301.05804	0.9
302.10287	4.5
303.42984	0.9
304.08554	3.5
305.04468	1.3
306.07605	1.3
307.04688	1.4
308.05817	0.9
309.06061	3.4
310.07239	0.9
311.08176	0.8
312.08600	8.9
313.06915	1.4
314.06656	5.7
314.10303	5.5
315.07327	6.7
315.10596	0.9
316.08237	3.1
321.03848	4.6
322.07108	4.6
323.05447	18.9
323.12967	2.5
324.08722	4.1
324.13208	3.5
325.06885	0.8
326.06702	1.8
328.08185	3.4
330.09677	6.1
332.07596	42.2
333.08304	9.7
334.09094	1.1
335.04318	1.5
337.07068	0.9
340.08102	6.5
341.06348	4.0
342.09860	4.1
344.07697	1.4
346.09229	1.5
348.10754	3.6
350.06461	1.5
352.08606	0.8
358.09177	7.6
360.10709	3.5
362.08801	2.9
368.07800	2.7
376.10217	18.5
386.08701	7.7
394.11243	0.8
404.09705	9.3
414.91324	0.7
422.10782	24.5
423.11215	0.8
424.11993	0.9
474.12262	1.9
520.12457	6.4
548.11932	2.9
562.10852	1.1
634.11975	1.3
654.12390	1.4
655.13550	2.2
670.15332	1.8
672.15381	1.1
680.14160	3.2
682.15723	1.4
698.14899	14.5
699.15259	1.1
708.13605	2.4
716.16174	2.9
726.14417	2.9
744.15454	100.0
745.15985	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	744.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65523	2.0
56.31481	1.9
65.03939	2.3
81.03368	4.0
83.44727	2.0
91.05498	2.3
95.04967	3.8
105.03384	2.5
107.04955	2.3
119.04931	4.6
120.04424	10.6
121.02859	4.1
123.04431	24.4
124.03900	2.1
131.04933	5.9
132.04446	5.1
133.02817	2.9
133.05251	2.3
135.04405	2.6
136.03975	2.2
137.02351	16.8
137.03288	3.3
138.05431	4.3
146.06024	1.8
147.04385	5.7
148.03940	30.7
149.02292	6.6
149.04739	17.5
150.05531	4.5
152.06134	2.3
153.06960	4.4
159.04474	4.1
160.03970	2.7
162.05493	5.1
163.03912	3.8
164.03464	6.6
164.07031	3.5
165.06973	19.4
167.08546	2.5
169.06572	2.7
174.05524	3.0
175.03940	4.9
176.03416	6.5
176.07083	3.1
177.01860	3.0
177.04181	14.3
177.05498	4.7
177.06966	4.6
178.04962	3.7
181.06380	3.1
187.03893	4.4
190.04988	3.9
191.05780	2.9
192.06525	37.8
193.06448	14.7
194.04550	6.6
195.02898	4.7
197.05984	7.5
200.03444	2.6
202.04991	8.1
203.03467	2.7
205.06401	14.9
207.06721	4.6
208.05910	3.6
208.07634	3.5
209.06136	4.0
210.07506	3.6
211.07631	4.7
212.05449	3.4
212.07205	4.0
213.01868	2.8
214.08659	2.5
215.07220	2.1
219.04414	2.9
221.05968	59.5
222.05841	2.5
223.07635	30.3
224.07108	4.3
225.05467	22.5
225.07735	4.9
226.08620	5.7
228.06586	6.9
229.07358	4.9
230.08102	2.9
233.05963	15.3
235.06136	9.5
236.06999	9.2
237.05524	2.7
238.04887	2.6
238.08643	4.8
239.07249	15.6
240.06502	3.2
241.07246	3.1
242.08080	4.4
249.05478	51.6
250.06110	4.2
250.08583	3.2
251.07216	31.4
252.06506	14.2
253.04909	11.7
253.07394	7.8
254.04541	4.6
254.08098	14.5
255.05112	36.2
256.05893	9.3
256.09647	6.0
257.06784	2.2
258.07538	10.6
262.05099	3.1
263.05743	8.3
264.06592	10.6
265.04877	3.2
266.05658	2.2
266.08087	11.5
267.06543	19.0
268.06058	14.7
268.09320	9.7
269.08105	11.3
270.07608	7.6
271.05887	3.6
271.08463	3.4
275.03281	2.8
276.06482	7.3
277.04904	36.5
278.05481	5.4
278.08176	7.3
279.06024	9.1
280.06061	11.1
280.09390	2.2
281.06863	16.5
282.03943	7.2
282.07513	10.8
283.08295	3.8
284.06149	2.2
284.09106	13.2
285.07208	2.3
286.06940	2.8
289.03766	6.3
291.05035	9.8
292.05896	4.6
294.07611	18.4
295.05957	76.0
296.05869	8.8
296.09125	14.6
297.06302	23.6
298.07187	12.1
298.10379	2.9
299.07867	2.5
300.05203	4.3
300.08588	6.4
304.06024	25.5
306.07507	17.3
307.04596	11.5
308.05484	3.1
309.06305	25.1
310.07156	6.1
312.08633	19.4
313.07056	5.5
314.10184	5.3
315.07327	38.3
316.07727	2.3
321.03827	29.8
322.07071	90.7
323.05234	39.5
324.08633	47.8
328.08133	14.0
330.09659	5.5
333.08188	6.7
335.04245	11.2
340.08057	22.5
342.09683	22.7
350.06549	28.9
352.08185	9.4
358.09268	15.0
359.09390	2.1
360.10629	3.5
368.07635	57.7
369.08185	3.7
370.09250	5.8
386.08679	100.0
387.08884	4.7
404.09665	27.0
441.09659	13.1
443.10782	2.7
469.09085	2.4
485.08389	3.1
487.10284	16.0
616.11841	2.8
634.12537	5.9
652.14545	2.3
662.12811	17.8
666.12085	12.3
680.13947	52.0
680.25446	3.6
681.13623	5.5
682.15051	2.5
690.12708	4.3
698.14423	3.5
708.13525	28.0
716.16425	2.3
726.14722	16.0
744.14856	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	744.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01869	0.2
60.13742	0.0
64.11610	0.0
69.03447	0.1
69.62279	0.0
77.03923	0.5
79.05489	1.1
81.03403	0.1
85.02878	0.2
85.06559	0.1
87.64413	0.0
91.41283	0.0
95.04962	2.2
97.02874	0.1
105.04507	0.9
107.04945	100.0
107.21099	0.1
108.05276	1.6
119.04883	0.1
127.03831	0.1
145.04936	0.1
145.08566	0.1
191.09193	0.1
213.09096	1.4
218.32022	0.1
221.06039	0.1
249.05377	0.1
263.14407	0.1
277.05173	0.1
281.15488	0.1
295.06143	0.1
297.13544	0.1
299.16409	0.3
317.17465	0.1
323.05380	0.1
341.06659	0.1
722.76678	0.0
726.37677	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86444	1.7
53.03944	8.3
55.01864	7.7
55.05503	8.5
57.03430	7.1
61.02908	8.8
65.03951	1.8
67.05480	2.7
68.99776	3.2
69.03421	41.8
69.07062	5.5
69.73693	1.4
69.76809	4.9
70.06602	2.8
71.04991	3.9
73.02903	6.8
81.03410	31.9
81.07038	5.7
83.08613	11.8
85.02895	100.0
87.00817	41.7
91.03965	2.7
91.05479	3.4
93.07008	1.9
95.08592	8.3
97.02882	43.2
97.03499	3.4
97.10121	1.9
99.04449	15.6
105.01147	3.8
105.01855	71.7
105.07028	4.5
107.08562	2.6
109.02869	41.0
109.10164	2.5
110.03221	2.0
111.04453	2.2
111.11714	2.4
117.01810	2.5
117.06998	4.2
119.08578	2.0
121.10172	3.7
126.41748	1.6
127.03907	77.2
131.04951	2.4
131.08563	2.7
133.10138	5.7
135.08034	3.0
137.05968	13.7
141.07011	2.1
142.07773	2.0
143.08578	3.3
145.04951	35.1
145.06416	8.8
147.02896	3.3
147.07994	2.0
147.11539	1.7
149.05995	6.2
151.07533	6.0
155.08521	6.3
157.06526	2.8
157.10143	5.9
159.02904	13.9
159.08043	4.0
161.13190	1.7
163.03937	3.7
163.07515	41.2
163.08873	2.5
165.09140	8.6
167.08704	2.3
169.10074	4.1
171.08078	3.8
173.09607	4.6
175.07611	9.6
177.09087	5.8
179.10619	5.5
183.08170	3.9
183.11653	4.2
185.09592	12.6
187.07524	25.6
187.11183	3.8
189.03903	3.7
189.09068	14.4
191.10652	16.3
195.11682	2.0
197.09595	9.1
199.11185	4.7
201.09122	12.4
201.12720	9.3
203.10646	6.9
204.06494	1.9
205.12218	25.7
211.11118	9.6
211.14780	7.0
213.03934	8.3
215.10663	11.7
217.12225	5.9
219.13936	2.3
221.13269	3.4
223.11163	1.9
224.11943	3.0
225.12587	1.8
229.12212	46.5
229.15764	12.8
231.04979	28.8
231.13791	3.2
239.14308	20.2
242.12808	2.4
243.13681	11.2
249.06078	10.3
253.07034	2.0
253.19547	3.0
256.14420	2.8
257.15341	88.0
258.15723	2.9
271.20584	2.7
275.16397	65.7
276.16766	1.9
281.18997	23.2
298.10651	3.0
299.11038	2.2
299.20020	93.7
300.20367	4.1
317.21075	74.7
318.21481	2.5
326.10312	5.4
327.10410	5.3
328.11215	3.7
354.10141	2.1
393.10602	1.9
536.14288	3.8
713.26996	2.2
744.17694	5.7
744.32977	5.7
745.34351	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	744.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01870	5.2
55.05511	4.6
57.03428	3.7
57.07083	0.7
61.02928	5.3
63.99736	0.8
67.05496	3.9
68.99773	2.8
69.03421	32.5
69.03799	1.7
69.07054	2.9
71.01334	1.0
71.04987	3.9
73.02911	3.9
79.05487	0.8
79.11696	0.8
79.79647	0.6
81.02962	1.1
81.03410	19.8
81.07051	3.6
83.01352	0.9
83.08592	3.6
85.02894	83.9
86.03232	1.0
87.00819	34.6
87.04460	0.8
91.03938	1.0
91.05461	2.1
93.07037	2.0
95.08601	9.2
97.02883	25.6
97.10146	0.8
98.23610	1.1
99.04441	10.6
103.05444	2.3
105.01856	54.8
105.07003	2.5
107.08567	1.9
109.02868	25.6
109.03638	0.9
109.10143	3.4
111.04464	0.8
111.08100	1.0
115.03928	0.8
117.01860	1.3
117.06997	3.2
117.76590	0.6
119.08545	1.8
121.10123	4.7
123.04406	2.3
123.11720	2.1
127.03903	55.9
128.04274	1.2
129.01836	3.0
129.06985	1.5
131.04898	5.1
131.08540	1.8
133.06488	1.0
133.10110	4.4
135.08078	4.9
137.05965	9.7
139.03902	0.8
141.06946	1.6
143.08549	2.3
145.04941	19.5
145.06468	9.6
145.10106	1.8
147.02904	1.8
147.04410	1.0
147.08032	1.3
149.05974	10.5
151.07530	3.2
155.08521	3.7
157.06491	2.1
157.10114	2.9
159.02856	8.9
159.08029	4.3
159.11613	1.0
161.05917	1.3
161.09583	1.1
163.03915	1.2
163.07521	26.2
164.07956	1.0
165.09093	8.5
167.08578	1.1
169.06506	1.6
169.10063	4.9
170.07219	0.9
171.08014	3.2
173.05949	2.1
173.09592	3.4
174.06740	0.9
175.07497	5.6
177.09131	4.9
179.08543	1.4
179.10635	4.9
179.88014	0.7
181.04971	1.1
181.06448	1.1
182.07225	0.9
183.08031	3.6
183.11652	2.4
184.08820	1.0
185.09583	8.2
185.13225	1.2
186.10326	1.0
187.07524	22.3
187.11171	2.9
188.08090	1.5
189.03865	3.1
189.09088	11.2
191.10645	24.4
192.11095	1.2
195.08061	1.3
196.08902	1.0
197.09601	8.1
197.13196	1.6
199.07550	1.1
199.11110	1.8
200.08345	2.1
201.09070	10.7
201.12633	1.0
202.09818	0.9
203.10616	8.2
205.12227	24.7
206.12686	1.1
209.09729	1.4
210.10339	1.4
211.11198	4.5
211.14729	3.5
213.03931	5.1
213.09105	2.3
213.12723	2.4
214.09859	4.7
215.10652	15.8
215.14159	1.2
216.11319	1.0
217.12175	5.0
219.13750	1.8
221.13187	1.2
223.11168	2.4
224.11969	1.3
225.12613	1.1
227.10596	1.8
227.14325	1.8
228.11426	2.4
228.14835	0.8
229.12250	16.2
229.15811	8.1
231.04971	23.6
231.13795	4.6
233.15303	1.1
238.13397	1.2
239.14278	13.8
240.14589	1.0
241.12184	5.3
241.15933	0.8
242.12988	2.1
243.13747	11.7
249.06021	11.7
253.06883	1.7
253.19534	1.3
255.13818	1.8
256.14517	8.3
257.15332	85.8
258.15771	2.7
270.15982	1.7
271.08075	1.8
271.20563	2.3
275.16376	61.5
276.16681	2.4
281.19000	12.1
299.20016	100.0
300.20383	5.9
317.21069	68.3
318.21429	3.0
327.10568	1.3
375.09045	1.3
441.51190	0.9
537.74445	0.8
565.26294	1.6
584.85016	0.8
664.78149	0.9
744.17639	2.4
745.33679	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01871	2.2
55.05258	1.2
55.05509	14.9
57.03430	8.3
57.07056	2.6
59.05002	2.2
59.77766	0.9
60.95437	1.1
61.02912	3.6
65.03941	3.8
67.05495	100.0
68.05825	1.2
69.03435	2.7
69.07063	14.5
69.07406	1.8
71.04985	22.2
71.05358	1.9
73.15800	1.0
77.03897	1.0
79.05485	39.4
80.05813	1.0
81.03404	1.7
81.07048	43.6
83.04975	2.8
83.08619	6.7
85.02898	4.0
85.06540	3.4
91.03941	1.5
91.05470	23.8
93.07034	45.1
95.04941	7.0
95.08591	34.5
96.10243	1.1
97.02913	1.2
97.06529	5.1
97.10157	2.2
99.08070	2.2
105.04514	3.7
105.07016	12.6
107.08584	22.0
109.10143	58.8
111.08089	3.4
117.07018	5.7
119.08569	16.6
121.10120	15.6
123.08110	1.0
123.11700	3.5
131.08560	6.6
133.10126	6.6
135.11673	13.5
137.09589	8.0
145.10060	5.4
147.11667	6.2
149.13290	4.1
155.10660	1.3
157.10164	1.1
159.11696	2.7
161.13295	2.3
163.11174	1.6
169.12225	1.8
173.11737	5.8
173.13164	1.8
181.12279	1.1
184.07364	2.6
187.14827	1.1
211.13185	1.1
213.14876	1.8
226.28101	1.0
243.15858	1.9
255.15948	4.9
261.22159	4.0
287.18436	19.2
288.18744	1.2
317.01193	1.0
335.21707	1.5
335.25742	30.7
335.29572	2.0
336.26218	3.0
337.27161	2.0
361.27469	1.3
397.30899	1.1
423.32748	1.5
471.34879	1.7
487.95972	1.2
489.35681	98.0
490.35944	6.1
503.37030	3.4
515.37329	10.4
547.39880	79.0
548.40167	6.0
745.40973	5.7
768.45966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.37187	0.4
65.03933	0.4
68.99758	0.4
69.03397	0.6
69.77013	0.4
71.31168	0.4
71.58708	0.4
79.01833	0.4
79.05479	0.4
79.81566	0.5
81.03412	0.8
81.53905	0.4
83.32262	0.4
89.03909	0.5
91.05450	0.7
95.01339	2.0
97.13771	0.4
98.22639	1.0
107.04955	4.3
108.05232	1.2
109.02871	0.5
111.04459	0.8
115.05459	1.2
115.35959	0.4
117.03367	0.5
123.00772	5.0
123.04396	1.7
129.03343	0.8
129.06984	0.5
131.04913	1.1
131.08551	0.5
135.04387	1.2
137.02332	7.3
137.03357	0.9
137.05994	0.6
139.03923	0.8
139.05397	0.8
141.06966	3.1
143.04892	0.4
144.58481	0.4
145.02829	1.1
145.06415	0.4
147.04390	2.5
149.02327	0.5
152.06192	1.5
153.06982	2.8
155.08498	0.9
157.02826	1.5
157.06522	0.5
159.04350	1.4
161.05936	0.5
163.03886	4.1
165.06989	20.6
166.07433	0.5
167.08556	0.9
168.05702	0.7
169.06462	6.9
171.04436	0.7
171.07916	0.5
173.05969	1.3
175.03888	2.2
175.05310	0.7
176.04713	0.5
176.06168	1.2
177.05576	0.7
177.06943	2.0
179.04883	2.4
181.06436	4.5
182.06978	0.4
183.02856	0.5
183.04361	0.7
183.08005	1.4
184.01581	0.4
185.02263	0.7
185.05948	1.7
186.06773	0.5
187.03835	5.0
187.05095	0.5
187.07521	2.4
189.05418	0.4
191.04941	0.6
193.06468	14.0
195.08064	1.0
196.05203	1.1
197.05959	20.7
198.06581	1.0
199.03810	1.1
199.07498	1.1
200.04619	1.1
201.05391	1.5
203.03313	1.8
204.05486	0.5
205.06453	3.5
207.04404	4.4
208.05148	0.8
209.04268	0.4
209.05994	3.0
210.06680	1.1
211.03888	1.4
211.07524	5.6
213.01862	2.8
213.05450	2.9
214.06258	2.4
215.03589	0.9
215.07004	7.1
216.04054	0.6
221.05948	59.3
222.06343	2.8
223.04073	0.6
223.07532	4.7
224.04643	1.3
225.05434	34.1
226.06003	2.3
227.03448	0.6
227.06979	1.8
228.04070	1.5
229.05006	3.0
231.02507	2.2
231.04820	0.6
233.05940	3.2
235.03922	4.6
236.04617	1.0
237.05428	7.1
238.06154	1.1
239.03226	1.2
239.04419	0.7
239.06982	13.9
240.07356	0.5
241.04932	5.1
241.08679	0.6
242.05719	9.5
243.06483	18.4
244.06963	0.8
245.04448	1.6
249.05443	84.8
250.06021	6.2
251.07056	4.5
252.04181	1.2
253.04930	38.2
254.05632	2.7
255.02737	0.7
255.06512	6.9
256.03662	1.6
257.04401	4.1
258.05164	1.0
259.03674	1.9
259.06100	1.0
261.05374	0.6
263.03329	3.0
265.04987	3.6
266.05676	2.0
267.06494	26.4
268.04047	0.5
268.07028	1.2
269.04419	4.8
269.08005	1.2
270.05194	17.1
271.05981	21.5
272.06235	0.6
277.04922	43.1
278.05640	4.2
279.06494	3.4
281.04413	24.4
282.05020	3.7
283.06012	1.5
284.03085	1.2
285.04330	0.7
285.07486	3.3
287.05545	1.3
289.06995	2.0
293.04352	2.8
294.05118	1.1
295.05978	100.0
296.06277	4.5
297.03851	1.9
297.07584	4.2
299.05466	10.4
299.08734	0.8
300.06091	0.6
305.04306	1.0
307.06003	0.6
309.03885	4.2
311.05450	1.2
313.07022	33.1
314.07297	1.1
317.06458	4.9
321.04044	2.9
323.05457	61.3
324.05768	2.7
325.06900	1.9
327.04886	5.1
329.06583	2.1
330.06638	0.4
331.08057	6.5
335.07678	0.9
337.03702	0.9
339.04947	0.5
341.02365	0.8
341.06519	16.3
342.06766	0.5
343.08221	0.6
345.05988	7.6
347.07611	1.9
355.04501	0.6
357.07623	0.5
359.07584	33.0
360.07944	1.5
365.06467	0.5
369.05972	2.6
373.06186	0.8
377.08655	6.9
385.07086	0.5
387.07050	23.2
388.07254	0.6
393.07565	0.6
405.07986	1.4
409.06653	0.7
413.06836	0.5
473.09109	0.9
477.08737	0.6
491.11093	0.5
501.09094	1.0
519.10498	0.8
529.08600	1.0
545.10193	0.9
547.09247	1.2
565.11340	1.2
575.09265	1.0
583.12018	0.9
584.13843	0.6
589.10394	0.7
593.10785	1.7
603.09430	0.5
607.11798	2.4
611.11456	1.3
621.09998	1.0
625.13312	1.4
629.12677	0.8
635.11548	1.2
639.11487	2.0
643.14410	0.8
653.12793	2.2
657.12378	1.4
667.10852	0.5
671.13702	2.8
681.12152	1.1
685.11121	0.8
699.13324	2.9
700.13043	0.6
717.13928	1.4
745.14490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
65.03925	0.9
66.04696	0.6
67.05491	0.3
70.06602	0.4
70.59193	0.4
79.05472	0.8
79.05954	0.2
82.04166	0.4
84.05639	0.3
85.02875	0.5
89.03907	0.5
91.05470	0.9
93.03374	0.3
94.04176	2.5
95.04958	0.6
97.06523	0.2
105.04501	0.2
105.07081	0.3
107.04939	0.7
111.04401	0.4
115.05459	1.3
117.07010	1.5
119.08511	0.3
122.03640	6.3
123.04401	0.7
125.06007	0.5
126.01050	1.8
129.07010	0.2
135.04395	0.8
137.05960	100.0
138.03046	0.3
138.06311	1.5
139.03871	0.3
143.04907	2.8
145.02788	0.3
145.06465	1.9
147.04503	0.2
151.03876	3.1
151.04924	0.2
153.05475	0.6
155.06013	0.9
160.57088	0.3
161.06009	0.4
163.03874	1.7
163.41022	0.2
167.07014	11.0
171.06557	0.7
173.05978	2.9
175.07523	0.9
179.06946	0.2
181.04938	12.5
182.05267	0.3
185.02083	0.6
189.05544	0.3
196.06354	0.8
203.06966	1.1
205.08574	2.1
211.07411	1.4
221.04274	0.5
221.07968	0.3
233.08110	0.6
235.07266	0.3
235.09488	1.9
307.18781	0.3
322.36215	0.2
349.12076	0.3
355.11865	0.3
357.13281	8.4
358.13885	0.3
383.07306	0.7
384.07767	0.9
385.07675	0.8
387.14328	62.3
388.14703	2.5
566.14655	0.4
735.95105	0.3
745.27209	0.4
746.17847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
65.03925	0.9
66.04696	0.6
67.05491	0.3
70.06602	0.4
70.59193	0.4
79.05472	0.8
79.05954	0.2
82.04166	0.4
84.05639	0.3
85.02875	0.5
89.03907	0.5
91.05470	0.9
93.03374	0.3
94.04176	2.5
95.04958	0.6
97.06523	0.2
105.04501	0.2
105.07081	0.3
107.04939	0.7
111.04401	0.4
115.05459	1.3
117.07010	1.5
119.08511	0.3
122.03640	6.3
123.04401	0.7
125.06007	0.5
126.01050	1.8
129.07010	0.2
135.04395	0.8
137.05960	100.0
138.03046	0.3
138.06311	1.5
139.03871	0.3
143.04907	2.8
145.02788	0.3
145.06465	1.9
147.04503	0.2
151.03876	3.1
151.04924	0.2
153.05475	0.6
155.06013	0.9
160.57088	0.3
161.06009	0.4
163.03874	1.7
163.41022	0.2
167.07014	11.0
171.06557	0.7
173.05978	2.9
175.07523	0.9
179.06946	0.2
181.04938	12.5
182.05267	0.3
185.02083	0.6
189.05544	0.3
196.06354	0.8
203.06966	1.1
205.08574	2.1
211.07411	1.4
221.04274	0.5
221.07968	0.3
233.08110	0.6
235.07266	0.3
235.09488	1.9
307.18781	0.3
322.36215	0.2
349.12076	0.3
355.11865	0.3
357.13281	8.4
358.13885	0.3
383.07306	0.7
384.07767	0.9
385.07675	0.8
387.14328	62.3
388.14703	2.5
566.14655	0.4
735.95105	0.3
745.27209	0.4
746.17847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19565	0.9
63.74040	0.9
67.05514	1.5
79.05531	1.0
93.07049	1.1
104.49390	1.0
105.07088	1.1
108.08169	1.3
120.08118	2.1
122.06057	3.4
136.07622	3.3
148.07552	7.7
150.09232	1.6
152.07111	2.6
164.07121	1.4
166.08629	2.0
172.04021	2.7
178.84686	1.1
190.04947	2.0
204.06647	4.3
226.10893	1.0
249.10373	1.5
251.11847	2.2
253.13448	1.6
263.11795	2.0
267.11163	1.7
279.11407	3.7
281.12991	1.6
285.12323	4.7
291.11230	1.9
293.12997	1.5
297.12231	4.8
309.12366	1.7
319.11014	1.6
321.12656	1.1
323.10336	1.3
325.12006	3.0
337.11969	5.6
339.13623	1.3
342.72321	1.1
430.17911	1.5
438.14417	1.1
448.18799	2.2
460.18686	1.4
497.32544	1.8
546.22595	1.1
549.21143	1.9
550.22040	2.6
590.21240	5.7
592.23035	1.3
595.25830	1.4
613.25952	1.4
622.24005	2.5
623.24664	2.2
641.30243	1.0
659.37665	12.3
701.38531	18.3
702.39099	1.7
707.75439	1.2
713.27838	4.6
745.37659	100.0
746.38251	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	745.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01865	0.6
55.05502	1.9
55.68771	0.2
57.03428	2.1
57.07063	0.3
60.08160	0.4
61.02919	5.3
64.96124	0.2
67.05497	6.1
69.03419	3.1
69.07062	1.3
70.67738	0.3
71.01327	0.3
71.04977	0.8
73.02911	4.2
79.05484	4.5
81.03403	1.6
81.07048	6.4
81.51804	0.2
82.07388	0.4
83.04977	0.6
83.08606	0.8
85.02897	4.2
85.06557	0.4
86.09698	2.4
87.04456	0.3
91.03943	2.5
91.05464	2.2
93.07034	5.2
95.04961	1.2
95.08595	4.6
97.02884	4.3
97.06528	0.5
97.10160	0.3
98.98472	0.4
99.04445	1.0
101.02385	1.5
105.04546	0.3
105.07020	1.6
107.08585	2.4
109.02870	0.6
109.10152	1.4
115.03903	0.4
117.06985	0.9
119.08591	1.5
121.06526	0.3
121.10136	2.0
123.11716	0.4
124.99995	1.8
125.90843	0.2
127.03905	1.4
131.08569	0.7
133.10162	0.8
135.11667	2.2
135.12466	0.2
145.10120	1.3
147.11690	0.3
147.45314	0.2
149.13245	0.4
159.11743	0.3
163.11179	1.5
181.12248	0.2
184.07315	7.9
185.04228	0.5
185.07689	0.7
203.05260	0.2
213.84816	0.2
227.12863	1.2
234.00906	0.2
243.08411	1.8
243.10722	0.3
243.16158	0.3
244.16188	0.3
249.10956	9.2
259.08044	0.3
269.17410	0.3
287.18597	0.7
288.18881	0.3
305.13666	0.9
335.25821	1.3
336.26276	0.6
380.97250	0.2
383.82620	0.2
467.18784	4.6
503.37540	0.5
504.37485	1.4
514.63800	0.2
519.29230	8.2
520.29266	0.4
548.40234	0.6
583.35773	0.4
745.41180	100.0
746.41522	7.7
746.55164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01867	0.5
55.05505	2.2
57.03425	2.3
61.02919	5.9
64.82684	0.5
64.86372	0.5
67.05492	4.6
69.03422	3.3
69.07056	0.8
70.70632	0.6
71.01350	0.8
71.04991	0.6
73.02911	4.2
79.05470	3.1
80.99487	0.5
81.03409	2.4
81.07052	4.4
83.01330	0.9
83.04956	0.7
83.08627	0.6
85.02892	5.2
85.06463	0.6
91.03941	3.0
91.05457	2.7
93.07030	4.2
93.12476	0.5
95.04962	1.0
95.08587	3.0
97.02894	4.4
99.04465	0.6
101.02385	2.3
105.07011	1.2
107.08585	2.2
109.02879	1.0
109.10161	1.7
117.07040	0.7
119.08598	1.5
121.10140	1.7
123.08037	0.6
127.03907	1.4
131.08566	0.8
133.10115	0.7
135.11713	1.6
139.72505	0.7
143.08696	0.5
145.10120	1.7
163.11198	2.2
163.84628	0.5
185.04294	0.7
220.34552	0.6
243.08357	1.5
249.11026	0.5
467.18790	10.5
519.29211	6.7
569.34094	0.5
745.41180	100.0
746.41351	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	745.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29468	1.5
57.03427	2.7
61.02925	8.0
65.12035	1.6
67.05505	7.0
67.12397	1.4
69.03430	4.4
69.51733	5.7
73.02918	6.1
79.05502	4.3
81.03416	2.8
81.07050	3.9
85.02895	8.0
89.06017	1.7
91.03976	5.5
91.05472	2.9
93.07049	6.7
94.31866	1.7
95.08611	3.6
97.02875	7.5
101.02392	3.2
105.07029	2.0
109.10172	1.8
117.77777	1.6
119.08576	1.8
127.03901	2.5
135.11615	1.6
136.40030	1.7
172.37111	1.6
183.09138	1.4
241.92831	1.5
243.08400	3.8
250.18314	1.5
467.19003	5.4
491.27646	1.7
519.29474	7.5
745.41199	100.0
746.41376	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	745.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05506	1.3
57.03430	1.3
61.02921	4.3
65.03926	0.3
67.05498	3.9
69.03429	2.9
69.07078	1.4
69.14652	2.0
71.01353	0.4
71.04995	0.5
73.02912	2.4
76.02979	0.3
79.05493	3.3
81.03420	1.2
81.07050	4.0
82.42477	0.3
83.04993	0.3
83.08592	0.4
85.02901	3.0
86.09684	0.5
87.04442	0.5
91.03941	1.8
91.05476	1.9
92.55954	0.3
93.07043	4.5
95.04963	0.6
95.08601	3.7
97.02881	3.2
97.06519	0.4
99.04475	0.9
101.02375	1.5
105.07030	1.2
107.04946	0.3
107.08611	2.1
109.02921	0.5
109.10166	1.1
117.07009	0.6
119.08575	0.7
121.06476	0.3
121.10129	1.5
127.03903	0.6
131.08585	0.5
133.10144	0.5
135.11679	3.6
145.10110	1.9
163.11162	3.1
181.12303	0.5
184.07359	1.0
185.04193	0.7
185.07906	0.3
192.65759	0.3
203.05315	0.5
217.08206	0.3
219.09877	0.4
227.12772	2.8
237.48340	0.3
239.72739	0.4
243.08305	2.3
249.10980	7.8
249.13525	0.5
305.13620	1.8
335.25870	0.7
467.18900	9.4
519.29205	5.0
548.39532	0.4
555.42511	0.4
583.36163	0.5
745.41211	100.0
746.41528	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	745.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05503	1.4
57.03432	1.6
61.02922	4.1
67.05494	4.6
69.03423	2.3
69.07065	2.7
73.02902	3.8
79.05479	3.4
81.03427	2.1
81.07045	5.7
83.08597	1.0
85.02905	3.1
86.09716	1.0
91.03954	2.0
91.05491	2.8
92.09879	0.7
93.07053	3.1
95.04965	1.7
95.08612	2.7
97.02882	3.4
97.06517	1.5
101.02384	1.2
102.91718	0.7
105.07036	3.0
107.04951	1.0
107.08599	2.0
109.02872	0.9
111.08089	1.0
119.08604	2.0
121.10143	1.6
125.00085	0.9
127.03852	0.8
131.08585	1.2
133.10167	2.1
133.66415	0.6
136.18932	0.7
149.09621	1.0
149.13258	2.1
152.88573	0.6
159.11662	1.6
184.07393	3.1
235.13007	1.1
243.08507	3.1
284.78839	0.8
315.19211	3.9
453.20886	10.0
533.26923	6.5
745.41199	100.0
746.41687	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	746.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.19187	0.2
63.02359	1.5
69.21098	0.7
69.21520	0.4
70.10791	0.2
79.05473	2.1
89.03905	16.8
90.04239	0.3
91.05455	0.6
95.04976	1.3
103.05460	0.2
105.04501	0.5
107.04939	3.9
115.05406	0.2
117.03367	15.9
118.03580	0.2
119.04894	0.2
120.04536	0.3
121.02811	0.2
123.04429	0.9
124.07571	0.3
125.21236	0.2
126.01011	0.2
131.04961	0.3
133.02821	0.3
135.04398	28.3
136.04764	0.4
136.07512	0.2
137.05965	0.8
138.05470	0.4
145.02834	18.0
147.04396	0.3
148.03905	1.4
148.82237	0.2
149.04674	0.5
150.05486	0.2
151.04004	0.2
151.06328	0.2
152.07072	0.3
158.06009	0.4
162.05557	0.2
163.03879	100.0
164.04333	1.4
164.07062	0.6
166.04961	0.5
166.08623	0.6
167.03407	0.2
167.07033	0.3
168.06512	0.2
172.03960	0.2
172.07581	0.2
175.03835	0.3
176.07028	0.3
177.01817	0.2
177.04143	0.2
177.05501	0.7
180.06496	0.8
184.07536	0.3
186.05434	0.5
190.04921	0.4
192.02892	0.2
192.06506	0.8
192.80743	0.2
195.02853	0.5
198.05452	0.5
199.06166	0.2
200.07050	0.6
202.04990	0.2
204.43011	0.2
208.06001	3.8
208.07759	0.3
209.06480	0.3
210.07573	0.4
212.07079	0.3
214.08629	0.6
215.05783	0.5
216.06595	0.5
224.07205	0.3
224.14519	0.2
226.04903	0.7
226.07118	1.0
226.08948	0.4
227.05742	0.6
228.06509	1.1
229.07278	0.7
230.08157	0.8
240.06570	0.3
240.10153	0.4
241.07312	0.4
242.08107	1.4
243.05165	0.3
243.08789	0.3
244.06061	0.7
244.09714	0.3
252.06709	0.6
253.03564	0.3
253.07419	0.3
254.04445	1.0
254.08009	0.9
255.05226	1.8
256.05994	1.0
256.09702	0.7
257.06815	0.5
258.07584	3.6
258.10565	0.3
258.11224	0.3
259.08322	0.2
260.09183	0.3
263.05627	0.3
264.06555	0.3
266.08102	0.3
268.06064	1.1
268.09583	0.4
269.06781	0.3
270.07544	3.3
271.08328	1.1
272.05551	0.7
272.09219	0.4
280.06039	0.2
281.06732	0.4
282.04172	0.4
282.07614	0.6
284.09192	0.8
286.07098	2.9
286.10327	0.4
287.07785	1.1
291.05252	0.3
294.07761	0.5
296.09042	1.3
297.06223	0.3
298.06985	0.6
300.05313	0.5
300.08704	0.7
302.10159	0.6
304.08026	0.3
306.07486	0.5
309.06296	0.4
312.08582	1.2
314.06537	2.3
314.10172	1.1
315.07300	2.4
316.08069	0.4
322.06995	0.3
324.08563	0.9
328.08069	0.8
330.09601	1.1
332.07605	4.6
332.11539	0.4
333.08408	1.6
340.08136	0.9
342.09619	0.8
346.09109	0.3
348.10889	0.3
350.06714	0.3
358.09149	0.9
360.10721	2.7
362.08826	0.4
368.07596	0.3
376.10120	2.9
386.08594	1.0
394.11371	0.2
404.09717	7.3
422.10770	20.0
423.11047	0.7
494.10931	0.8
495.11243	0.3
520.12103	0.3
522.14056	0.3
538.13495	1.5
566.12915	1.8
584.13916	28.6
585.14172	1.9
658.85822	0.2
746.16943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.76738	0.2
59.43550	0.1
62.01570	0.2
63.02363	1.3
73.84779	0.2
77.03914	0.4
79.05487	2.0
84.29366	0.2
89.03909	16.1
90.04215	0.2
91.05468	0.6
94.58611	0.2
95.04961	1.1
98.23495	0.4
101.14371	0.2
105.04523	0.4
107.04944	3.7
111.51672	0.2
117.03369	15.3
118.03706	0.2
119.04956	0.5
120.04457	0.4
123.04439	0.6
131.11220	0.2
135.04404	27.8
136.03859	0.2
136.04771	0.5
137.05997	0.2
138.05513	0.3
145.02837	18.6
147.04427	0.3
148.03925	1.2
149.02333	0.3
149.04745	0.5
149.05896	0.2
152.07031	0.2
162.05505	0.5
163.03886	100.0
164.04279	1.9
164.07082	0.8
166.08664	0.3
167.03394	0.3
168.06543	0.3
174.05510	0.3
175.03929	0.5
176.07088	0.2
177.04150	0.3
177.05490	0.8
180.06592	0.4
182.05930	0.2
186.05553	0.3
188.06963	0.2
190.05058	0.3
192.06544	0.7
193.56883	0.2
195.02850	0.2
198.05508	0.3
200.07101	0.7
207.06483	0.8
208.06036	1.2
210.07475	0.3
212.07031	0.3
214.04932	0.2
214.08620	0.2
215.05721	0.5
216.06619	0.4
225.04338	0.2
226.04980	0.6
226.07031	0.5
226.08849	0.4
227.05841	0.4
228.06543	1.4
229.07343	0.7
230.08183	0.6
235.06107	0.2
240.06581	0.6
240.09979	0.2
241.07159	0.2
242.08060	1.5
243.05185	0.3
244.06100	0.5
244.09698	0.3
252.06664	0.4
253.03780	0.5
253.07393	0.3
254.04433	0.8
254.08134	0.5
255.05228	1.6
256.06104	0.8
256.09750	0.6
257.06894	0.7
258.07593	3.4
264.06384	0.3
266.08090	0.5
268.06085	1.2
268.09662	0.3
269.06592	0.3
270.07596	3.0
271.08359	1.0
272.05533	1.0
272.09210	0.4
282.03918	0.4
283.05063	0.2
284.09033	1.0
286.07114	3.9
286.10291	0.4
287.07797	1.0
294.07730	0.4
296.05920	0.3
296.09219	0.8
297.06491	0.2
298.07175	0.5
298.10638	0.4
300.05093	0.6
300.08667	0.4
302.10162	0.3
304.08304	0.2
306.07587	0.3
309.06546	0.4
312.08615	1.3
314.06619	2.4
314.10266	0.8
315.07330	2.0
316.08231	0.5
324.08795	0.8
328.08139	0.7
330.09695	0.5
332.07599	4.9
332.11176	0.3
333.08221	1.4
340.08118	0.9
342.09802	0.7
344.07718	0.2
346.09204	0.3
348.10706	0.2
358.08896	0.9
360.10754	2.4
362.08710	0.8
376.10172	3.0
386.08539	1.0
394.11087	0.2
404.09714	5.8
405.10291	0.3
422.10770	17.0
423.11221	0.8
494.10736	1.9
495.11526	0.4
522.13831	0.3
538.13220	2.0
549.92468	0.2
566.12830	2.4
584.13934	22.6
585.14185	1.5
746.16980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01860	2.7
55.05505	4.2
57.03428	2.9
57.07063	1.0
61.02921	2.7
68.99777	1.6
69.03423	16.6
69.07059	3.6
69.15999	3.7
71.04993	2.0
73.02900	2.6
73.07043	0.5
81.03413	11.5
81.07026	2.2
83.08618	3.9
85.02900	40.7
87.00828	13.3
90.94777	0.7
91.05473	0.9
93.07018	0.7
95.08594	1.1
97.02890	13.0
97.10179	3.8
98.23425	1.2
99.04455	6.5
103.05435	0.7
105.01865	14.4
107.08565	0.8
109.02878	13.6
109.10186	1.2
111.11699	1.1
115.03889	0.7
117.01860	1.4
117.06999	1.6
123.04400	1.9
123.10863	1.1
123.11693	10.6
127.03906	27.4
128.04236	1.0
129.01831	2.2
129.07025	1.6
131.04895	1.2
135.04408	0.7
137.05934	1.3
137.13245	2.7
143.08580	0.9
145.04958	11.4
145.06404	3.7
147.02914	1.5
149.05957	6.6
157.06459	2.2
157.07639	0.6
159.02878	6.1
159.08078	1.2
161.05989	1.5
163.03908	2.1
163.07516	12.2
165.09100	46.4
166.09435	1.1
171.08060	1.9
175.07515	5.6
177.05440	1.4
177.09097	3.3
179.10681	2.3
185.09648	1.8
187.07564	0.7
189.03886	1.6
189.09084	2.2
191.10643	16.3
192.10841	0.6
193.12224	1.4
199.11189	2.6
201.12646	0.9
203.10684	7.2
205.12221	64.6
206.12590	1.3
211.11299	0.7
213.03891	1.5
213.12788	1.4
215.10565	0.7
217.12231	28.8
219.13768	5.3
229.12215	1.8
231.04971	6.8
231.13780	7.8
245.15340	5.7
249.06093	2.1
257.15350	1.3
259.16882	5.1
283.20438	0.7
299.20053	7.0
301.21588	100.0
302.21945	3.4
319.22458	1.5
453.17258	3.4
513.24823	1.0
531.25677	0.9
549.26825	5.3
746.34076	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	746.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05507	12.8
57.07074	4.2
58.62654	2.2
65.03929	3.0
67.05491	22.0
69.03427	2.4
69.07063	9.5
69.26173	8.7
71.04979	4.2
76.39713	2.3
79.05487	17.0
81.06609	4.3
81.07055	37.8
83.04978	16.4
83.08627	3.1
85.02897	2.7
85.06547	5.1
87.04491	2.6
91.03944	2.7
91.05471	57.0
93.07032	30.5
95.04949	21.2
95.08592	38.1
103.05437	2.8
105.07017	81.1
107.08585	37.8
109.06522	6.4
109.10143	26.4
115.05462	5.8
117.07011	51.3
119.04918	2.5
119.08568	50.8
121.06503	5.7
121.10142	23.7
123.11699	17.0
128.06204	18.3
129.06990	30.6
130.07779	7.4
131.08554	30.9
133.06497	3.8
133.08620	4.5
133.10121	33.5
135.11678	6.3
137.09459	2.8
141.06935	6.0
142.07762	11.7
143.08556	41.1
145.06447	5.3
145.10114	74.3
147.08046	9.1
147.10570	5.2
147.11678	79.0
147.12862	4.1
149.09625	5.8
149.13289	3.3
153.07019	4.7
155.08533	22.6
156.09314	3.8
157.10121	21.7
158.07343	3.2
159.08046	5.7
159.11687	12.9
161.09607	9.0
161.13226	18.6
163.11208	3.6
163.14841	5.0
169.10114	8.1
171.07993	6.2
171.11639	14.4
173.09605	100.0
173.11107	4.9
175.11205	9.9
175.14809	9.7
177.12769	3.8
180.09319	4.6
183.10161	5.5
183.11664	4.3
185.13263	23.3
187.11180	5.0
189.12769	5.1
191.10695	7.7
195.11644	12.7
198.10338	2.5
201.12758	3.8
203.14366	20.6
203.17924	82.4
212.97250	2.4
213.12761	28.9
221.19046	5.5
231.13782	68.3
233.11719	16.9
249.14821	9.9
291.15845	5.5
433.30875	2.6
553.74646	2.7
746.41583	26.1
747.41864	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	747.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58505	0.9
55.01878	2.3
65.03933	7.4
67.05504	2.5
68.99784	10.6
70.24326	0.8
79.01868	2.4
79.05489	4.0
81.02587	0.9
81.03421	4.2
81.07066	1.1
83.04964	1.0
91.05486	7.6
92.05009	1.6
93.03425	4.3
94.06544	1.6
95.04970	6.5
96.93409	0.9
97.02898	1.5
97.06538	1.2
103.05455	1.4
105.03393	1.5
105.04509	1.8
106.06491	1.0
107.04946	12.6
109.02900	0.9
109.05261	0.9
109.06505	2.8
111.04433	17.0
115.05479	1.0
117.03396	1.3
119.04939	4.1
120.04462	15.2
121.02847	23.3
121.04780	2.3
121.06496	2.1
122.06019	3.1
123.04414	18.7
125.05983	5.2
126.03098	1.0
127.03860	1.7
131.04886	1.1
132.04456	1.2
133.02870	6.9
133.05197	1.5
134.06029	1.5
135.04405	14.3
136.04828	1.1
136.07587	3.0
137.02339	30.9
137.03461	2.9
137.05949	6.4
138.05479	3.2
139.03889	26.2
139.05057	1.4
139.05400	1.4
139.06306	1.9
140.07074	3.5
141.05444	1.5
147.04425	3.9
148.03923	27.4
149.02333	20.5
149.04224	5.9
149.05850	1.4
150.03122	3.6
150.05513	1.7
151.03900	3.8
151.06285	4.9
152.04630	1.4
152.07101	10.9
153.05473	8.3
153.06606	1.3
154.02605	1.1
157.02812	1.4
159.04396	1.5
162.05490	5.5
163.03925	15.0
163.06219	2.3
164.04387	1.7
164.07059	21.0
165.05486	5.8
165.07034	4.9
166.08673	4.2
167.03363	3.2
167.07082	2.3
168.06570	6.4
169.05023	7.3
169.06358	1.7
175.03903	2.7
176.03423	4.3
176.06233	1.2
177.01830	28.8
177.04137	5.4
177.06946	1.5
178.02571	3.4
179.03403	2.2
180.06538	11.4
181.04962	13.8
181.06653	5.6
182.08144	3.5
183.06522	2.1
183.08162	1.0
187.03882	3.4
189.05475	4.1
190.05008	1.1
191.03357	2.2
191.04990	3.9
192.06616	7.9
193.04942	3.8
193.06546	4.1
194.04410	1.2
195.02890	5.3
195.05199	1.6
197.05995	2.8
203.03279	1.6
205.04910	2.6
205.06520	4.9
207.07951	1.4
208.06027	44.1
209.04430	13.8
209.06464	21.0
210.07672	15.3
211.05957	3.1
211.07660	2.4
213.01796	2.3
213.05400	2.4
217.04845	1.6
219.04408	3.7
220.04945	1.0
221.05949	20.7
223.07567	5.6
225.05429	7.5
227.07402	1.1
228.08694	5.7
231.02898	3.5
233.06013	7.8
234.06619	2.3
235.07556	3.8
236.04750	1.2
237.05518	5.2
238.06235	1.5
239.06712	6.0
239.09047	1.6
241.04869	2.0
247.03856	1.0
247.07553	1.1
249.05457	25.8
250.06061	3.7
251.06851	6.2
252.03954	1.3
253.04909	5.0
255.06540	4.3
259.03900	1.0
259.06070	7.7
261.05475	4.2
262.06018	1.7
263.06973	8.1
265.04919	5.6
266.05722	2.3
267.06332	11.8
268.08954	1.4
269.04437	14.6
269.09598	3.8
270.04645	1.7
271.05914	1.3
271.07849	0.9
273.05310	2.0
275.03378	6.1
277.04910	19.8
278.05594	3.3
279.06427	3.1
279.08032	4.9
280.09009	1.2
281.04480	3.4
284.08575	1.2
285.09155	3.5
289.04950	7.9
289.08215	1.8
290.05652	2.1
291.06387	7.0
293.04593	2.6
293.07797	1.1
294.05298	6.3
295.05914	49.0
296.06439	3.4
297.04388	1.4
297.08914	6.2
299.06021	1.3
300.07751	2.3
301.08591	1.6
303.02695	1.4
303.10403	1.8
305.04321	3.2
307.07175	4.5
308.08093	3.1
309.08987	3.0
311.06915	1.9
313.08728	5.1
314.09134	1.5
315.10010	2.3
316.07239	1.2
317.04581	1.2
317.08044	2.3
317.11679	2.3
319.06055	1.8
321.03955	16.2
321.07404	2.1
322.04538	2.7
323.05389	26.1
324.08011	2.2
325.08624	15.0
326.09274	1.8
327.09973	2.0
329.08118	2.8
330.08566	1.3
331.09561	2.3
333.07635	1.6
335.06592	2.2
336.07928	2.0
337.08670	5.4
337.88464	1.1
339.05414	1.6
340.07358	1.1
341.07278	7.1
342.08899	2.1
343.09702	7.0
344.06705	2.0
345.07556	7.7
347.05493	2.4
351.06494	1.9
352.07080	1.5
353.08069	25.2
354.08618	2.3
355.09851	4.9
357.07455	3.0
358.08383	3.8
359.08994	13.7
361.07043	4.1
368.06708	1.2
369.07523	14.9
370.08438	2.2
371.09149	37.1
372.09488	3.3
373.06659	4.9
373.10724	2.4
375.08392	1.6
381.07526	34.1
382.08115	3.0
383.09116	4.8
385.07193	2.0
386.07907	1.7
387.08649	15.2
391.08170	1.2
397.06995	16.7
398.07748	3.8
399.08578	87.9
400.09134	5.0
401.10324	11.9
404.08752	2.6
405.09689	2.0
409.07114	2.7
411.08383	1.8
414.07101	1.5
415.08066	15.4
417.09702	3.0
419.07602	3.7
420.07449	1.2
425.06500	6.8
427.08118	10.8
428.08151	1.0
429.09659	4.0
433.09036	8.4
443.07559	19.0
444.07675	1.9
445.03159	1.8
445.09158	22.7
447.10989	2.2
457.09259	5.6
461.08649	50.5
462.08920	3.0
471.06876	3.5
475.10400	8.5
476.10529	1.1
485.08539	1.3
489.08102	41.3
490.08490	1.5
493.11298	9.1
503.09567	2.0
520.12018	1.1
521.10754	100.0
522.10986	5.6
549.12665	11.6
550.13409	9.1
755.09674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06012	0.7
53.73561	0.7
54.77306	0.7
58.49171	0.8
65.03934	17.6
68.99418	1.6
68.99779	20.3
77.03934	0.9
78.06770	0.6
79.01849	3.4
79.05486	3.4
81.03412	8.0
89.03902	2.9
91.05473	8.4
93.03397	19.1
95.04983	4.0
98.22713	1.8
103.05374	0.8
105.04530	1.4
107.01302	3.2
107.04939	17.3
108.05241	0.7
109.02869	1.2
111.04433	57.1
115.05431	3.9
117.03336	1.4
118.27529	0.7
119.04919	3.1
121.02853	45.2
122.03138	1.3
123.04415	6.9
125.05971	1.7
131.04909	1.9
133.02838	1.5
135.04399	56.6
136.04718	1.1
137.02342	14.4
137.03378	1.5
137.05945	4.1
139.03885	100.0
140.04231	1.1
141.05450	1.1
143.04935	5.6
145.06459	1.0
147.04317	3.6
149.02328	37.8
150.03024	1.6
151.03885	2.6
152.09280	0.7
153.05435	7.5
159.04414	4.4
161.05951	1.1
163.03894	32.9
165.05487	2.1
165.06995	6.5
167.03416	0.7
167.07043	2.3
167.08395	0.9
169.04964	4.9
169.06345	1.2
175.03886	3.7
176.04698	0.7
176.06131	0.9
177.01813	70.6
177.06882	1.3
178.02397	2.6
179.03365	1.7
181.04941	69.9
181.06108	2.7
182.05287	2.0
187.03882	12.5
191.03360	3.1
191.04965	1.4
191.06960	2.3
193.05164	4.1
193.06274	4.4
197.05988	4.6
202.02515	0.8
203.03363	5.8
205.04907	5.9
205.06532	7.8
206.06882	1.1
207.04640	0.8
209.04428	62.5
210.04912	2.1
211.05966	3.0
211.07588	2.2
213.01802	3.1
215.06902	1.1
217.04933	1.3
221.05952	24.6
222.06531	0.9
223.07512	27.8
224.07823	1.1
225.03783	1.3
225.05504	8.8
231.02861	34.6
233.05957	11.2
234.06625	1.4
237.05368	2.5
239.07039	8.0
243.06514	3.6
249.05461	48.6
250.06018	3.7
251.07004	28.5
252.04097	1.6
252.07295	0.9
253.04962	7.1
255.06487	3.1
259.06131	0.9
261.05420	1.1
265.04895	3.6
266.05774	1.9
267.06461	19.3
268.07019	1.0
269.04440	5.9
269.08072	16.8
271.05963	7.1
277.04929	31.5
278.05518	2.2
279.06464	5.6
281.04419	6.6
284.03171	0.9
285.07339	1.6
293.04398	2.6
293.07419	0.8
294.05145	3.3
295.05978	72.2
296.06281	3.3
297.07529	6.1
299.08936	0.7
305.04404	3.3
306.04913	1.1
307.06091	1.0
312.06110	0.7
313.06973	14.4
319.05725	0.8
321.04022	4.7
321.07361	1.1
322.04645	1.5
323.05453	78.9
324.05844	2.3
325.06860	1.2
329.08350	1.0
331.09381	0.8
335.05545	1.0
337.07123	1.2
341.06488	21.4
343.09653	0.8
353.07867	1.4
357.07495	1.5
359.09183	1.4
365.06543	1.7
371.09061	2.5
374.07941	0.8
381.07013	2.3
387.08356	1.1
397.06812	1.3
399.08612	3.9
401.10147	1.0
409.06525	0.9
411.07870	1.3
417.09610	2.4
427.07379	1.0
429.09821	1.7
443.07550	1.0
445.09451	1.4
447.10703	1.1
457.08859	1.0
461.08563	2.1
463.10068	5.4
475.09570	0.9
485.09015	0.9
489.08188	1.5
491.09692	5.6
493.11234	3.3
503.09570	1.1
521.10773	22.7
522.10974	2.0
621.98419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
54.38245	0.6
55.01862	1.7
58.46133	0.6
65.03934	5.4
67.05492	0.8
68.99791	8.6
69.16752	4.9
79.01848	1.9
79.05482	3.0
81.03396	5.1
83.04979	0.8
89.03911	0.8
91.05485	4.2
93.03392	4.0
95.04967	5.5
96.38454	0.8
97.02967	0.7
97.06505	0.9
105.03342	1.0
105.04521	1.1
106.54414	0.8
107.01314	1.4
107.04952	5.3
109.06486	1.7
111.04440	10.2
117.03404	0.9
119.04935	1.7
121.02863	20.4
121.06503	1.7
123.04427	14.4
125.05969	4.0
126.03145	2.4
127.03905	1.5
131.04900	1.0
133.02852	1.5
135.04424	7.1
137.02347	32.3
137.03455	2.7
137.05949	6.5
139.03896	15.5
139.05046	0.8
139.05421	0.8
139.07550	1.0
141.05470	1.4
143.04921	0.9
145.02809	1.1
147.04451	1.7
148.03839	1.0
149.02330	19.3
149.06050	0.8
150.03125	3.6
151.03885	2.0
152.04704	2.2
152.06219	0.7
153.05463	13.9
153.06863	1.6
159.04372	0.8
163.03931	8.6
163.05289	1.5
165.05487	4.5
165.06992	4.8
167.03345	1.9
167.04950	1.1
167.07053	2.1
169.04962	9.6
169.06316	1.0
177.01823	22.4
177.05437	1.1
178.02576	3.3
179.03374	2.0
179.08476	0.8
181.04959	11.0
181.06506	3.4
183.06488	1.6
187.03882	2.2
189.05458	3.7
189.06987	1.2
191.03416	1.3
191.04939	4.4
192.22873	0.7
193.04936	4.7
193.06531	4.0
195.02890	5.5
195.08102	1.1
197.05957	2.4
199.06049	0.9
201.01991	1.0
205.04935	1.4
205.06528	6.1
207.08037	1.0
209.04367	8.2
209.06117	2.4
210.04939	0.9
210.06781	0.7
211.06023	2.8
211.07562	2.4
213.01826	1.6
213.05501	2.6
217.04922	1.1
218.07182	0.9
219.04439	3.4
221.05959	14.9
223.07556	1.9
224.04575	0.9
225.05405	4.8
228.06311	0.7
228.09354	0.8
229.10193	0.8
231.02780	1.5
233.06078	6.7
234.06783	2.3
235.07530	2.9
237.05377	5.8
239.07036	3.4
239.08983	1.4
241.05101	1.9
241.10187	1.0
243.08240	1.0
245.06026	2.2
247.03821	1.7
249.02917	0.9
249.05464	17.0
250.06024	2.4
251.07031	2.7
252.04214	1.2
253.04944	5.1
255.06166	3.8
257.09692	1.6
259.05814	5.6
261.05466	6.4
262.06259	1.8
263.04004	0.9
263.06961	8.2
264.07550	0.9
265.04904	6.5
266.05597	1.9
267.06189	7.2
269.04443	14.5
269.09772	4.2
271.05762	0.6
271.07825	1.6
271.10626	0.6
272.08414	0.7
273.05521	1.9
273.09174	1.1
274.06360	0.8
275.03314	6.5
276.03928	0.9
277.04935	11.6
278.05630	2.3
279.05963	0.7
279.07986	5.2
280.03677	0.7
280.08780	0.9
281.04416	4.0
281.09659	0.9
284.08173	0.8
285.09189	4.4
288.07880	1.0
289.04984	8.1
289.08160	1.3
290.05762	2.9
291.06430	6.9
292.07401	1.0
293.04449	3.9
293.07822	1.3
294.05228	3.9
295.05887	32.5
297.04080	1.1
297.09204	8.7
299.07016	2.0
300.07809	1.8
301.08566	1.3
303.02930	2.1
303.10239	1.6
305.04532	2.2
307.07809	5.8
308.08365	1.4
309.08936	2.8
311.07025	1.0
312.07672	0.8
313.08804	5.1
314.09055	1.0
315.06509	1.6
315.10187	2.2
316.07187	1.5
317.04404	1.2
317.07843	1.3
317.11847	0.8
321.03949	19.0
321.07535	1.2
322.04379	2.0
323.05325	16.4
324.07703	2.2
325.08612	15.7
326.09207	1.9
327.06482	1.6
327.10056	2.4
328.07361	0.9
329.08215	4.1
330.08716	1.1
331.09479	3.8
333.07593	1.5
335.06955	4.5
337.08612	4.5
339.05579	2.2
340.07306	1.7
341.08157	8.5
342.08740	1.9
343.09616	7.3
344.06699	3.0
345.07590	7.1
346.08276	0.8
347.05408	1.7
347.09161	1.0
351.06476	3.4
352.07330	2.3
353.08075	27.7
354.08817	3.8
355.09561	4.5
356.06619	1.3
357.07495	3.5
358.08258	4.1
359.09109	13.7
360.09787	0.8
361.07004	4.8
363.06116	0.8
368.06830	1.4
369.07501	18.6
370.08212	2.6
371.09091	37.0
372.09604	1.6
373.06766	5.7
373.10837	2.0
374.07941	1.0
375.08478	1.7
377.10345	1.1
379.05759	2.0
381.07529	31.8
382.08206	4.8
383.04898	0.9
383.09103	4.1
386.07895	1.8
387.08566	15.9
388.09030	2.0
389.06357	1.9
389.10562	1.1
397.07071	16.9
398.07684	3.5
399.08603	87.8
400.09164	5.8
401.10321	12.6
403.07919	3.1
404.08911	2.1
405.09805	1.3
409.07117	2.1
411.08490	1.5
413.06256	1.2
415.08078	17.2
416.08603	1.1
417.09677	3.4
419.07086	4.0
425.06415	8.2
426.07034	1.6
427.08026	12.5
428.08585	1.0
429.09528	3.9
433.09155	8.2
443.07590	22.3
444.08075	1.3
445.09152	22.0
446.09543	1.9
447.10709	2.8
453.06070	1.4
457.09277	4.7
459.10394	1.0
461.08643	52.0
462.08914	3.9
471.07132	3.8
475.10263	8.3
479.09778	2.3
485.08585	1.2
489.08154	43.9
490.08502	3.6
493.11264	9.6
503.09741	2.5
521.10748	100.0
522.11188	8.2
549.10107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01857	1.6
55.08978	1.0
61.30484	1.0
65.03925	9.7
68.67950	1.0
68.99775	6.8
71.42670	1.5
79.05495	2.6
81.03414	4.7
83.04969	1.2
85.02892	7.4
90.24572	1.0
91.05466	4.8
93.03394	7.1
95.04969	6.1
97.02912	2.0
103.05457	1.6
105.03410	2.2
107.04952	10.4
109.02872	4.4
111.04434	29.9
117.03369	1.2
119.04915	1.7
121.02853	18.0
122.03661	8.1
123.04404	23.2
125.02338	1.4
127.03938	1.4
131.04883	2.4
133.02841	7.4
135.04401	22.1
137.02328	12.5
137.06006	2.4
139.03886	45.5
143.04897	1.4
147.04372	2.7
149.02328	47.7
150.03110	10.9
151.03876	16.9
152.04683	1.2
152.06055	1.1
153.05455	2.0
153.06969	1.8
159.04462	2.2
161.02333	1.3
161.05869	1.2
163.03906	15.6
163.05278	1.9
164.07045	1.2
165.05637	1.6
165.06949	6.6
167.03412	4.4
169.04990	2.6
171.04341	1.3
175.03902	1.4
177.01817	21.0
177.05408	1.3
177.06903	1.4
178.02599	9.1
179.03372	4.5
181.04968	29.9
181.06499	4.3
182.05359	1.2
184.90636	1.0
185.05968	1.6
187.03902	10.4
189.05476	1.9
191.04947	3.1
192.05772	1.3
193.04965	1.6
193.06499	4.6
195.02873	100.0
195.36041	1.1
196.03581	7.1
197.04411	7.8
197.06013	4.7
198.05193	2.0
199.03920	2.6
203.03426	2.6
205.06459	6.2
209.04370	9.5
209.06119	2.9
210.06702	2.6
211.03935	1.5
211.05728	2.0
211.07578	2.5
213.01845	6.9
213.05421	3.4
215.03360	2.4
217.04880	1.5
219.04411	2.6
220.05212	2.9
221.05940	24.9
223.07596	6.5
225.05486	7.5
227.07019	1.6
229.04918	3.8
231.02858	3.6
231.06308	1.4
233.06117	2.9
237.05476	6.3
238.06242	3.1
239.06987	10.1
241.04904	2.9
243.02876	2.0
245.04362	7.5
247.03946	1.8
249.05437	31.4
250.06151	3.9
251.06975	6.4
252.03940	1.2
253.04971	7.5
255.06439	7.3
256.06708	1.1
257.04422	3.0
259.06055	4.4
261.05338	1.8
263.06967	1.7
265.04916	7.7
266.05722	4.9
267.06467	21.2
268.06964	1.4
269.04440	18.5
269.07626	1.9
271.06168	3.0
275.03262	2.3
277.04947	20.1
278.05569	3.8
279.06436	5.4
281.04379	8.0
282.04840	1.3
283.06006	4.5
285.04007	1.6
285.07388	1.2
287.05481	2.9
289.04846	1.2
293.04483	5.7
294.05176	34.1
295.05972	74.4
296.06381	3.6
297.04187	1.8
297.07422	1.9
301.07315	2.6
303.04938	3.8
304.05551	1.7
305.04318	3.6
307.05942	1.4
309.07504	1.6
313.07092	8.9
321.03922	12.7
322.04675	10.7
323.05444	57.3
324.05521	2.5
325.08340	1.2
327.08624	3.1
329.06442	17.0
335.05536	1.4
339.04956	2.5
341.06573	6.5
343.09393	3.9
347.07520	16.8
353.08151	2.2
357.07617	5.1
359.09036	2.0
360.09784	1.9
371.08966	4.8
374.07581	2.5
374.36041	1.2
375.06998	4.3
381.07425	1.9
385.06641	1.3
389.09604	1.9
393.08218	7.6
399.08597	3.5
409.05951	1.2
417.09592	4.9
427.07980	3.9
435.10754	1.4
445.09207	5.0
455.07294	1.3
463.10165	15.2
473.08478	2.2
491.09698	34.6
492.10483	2.3
493.11218	1.2
519.08838	3.0
520.10016	2.4
521.10852	9.3
531.08923	1.4
546.89465	1.3
625.09698	10.7
641.12524	2.7
687.12976	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	4.1
65.03936	14.4
68.99782	14.5
74.60519	3.7
81.03407	4.9
86.14166	3.5
91.05479	7.1
93.03407	6.3
95.04941	5.0
98.23589	7.5
107.04958	12.2
110.34279	3.5
111.04442	29.3
119.04916	3.8
121.02864	27.0
123.04414	28.1
125.05979	6.1
131.03729	4.2
133.02856	3.8
135.04413	27.7
136.41628	3.8
137.02347	34.3
137.03285	7.1
137.05942	6.8
139.03877	45.0
149.02304	28.0
153.05463	40.8
161.05927	4.6
163.03883	22.7
165.06984	6.4
169.04918	12.7
175.03915	4.3
177.01799	38.9
178.02542	4.2
179.03458	3.8
179.28494	3.3
181.04970	26.6
187.03900	7.2
191.05013	6.9
191.06960	7.2
193.04939	8.2
193.06487	8.9
205.06511	6.7
209.04428	23.1
210.05171	8.3
211.05894	5.5
211.07671	4.6
217.04851	5.3
221.05911	23.7
223.07532	6.8
225.05501	8.8
231.02821	8.7
233.06010	7.7
234.06767	4.7
237.05392	6.7
239.06998	6.7
249.05496	32.9
251.06987	9.7
253.04932	5.7
255.06464	5.8
259.06033	8.1
263.06741	7.8
265.04858	4.9
267.06561	13.7
269.04401	12.2
269.07486	3.8
271.05963	10.3
271.67053	4.0
273.09143	4.0
275.03442	5.1
277.04904	23.3
279.06415	4.1
279.08109	4.6
281.04504	8.0
285.09250	4.8
289.04929	8.3
291.06567	10.6
294.05261	6.8
295.05908	60.4
296.06406	5.1
297.09186	9.5
305.04489	5.9
313.08191	6.7
321.03973	23.3
322.04697	6.8
323.05399	51.0
325.08435	14.2
335.06488	5.0
337.08133	4.8
341.06760	14.8
343.09399	7.4
345.07486	6.8
353.08087	22.9
355.09714	5.9
358.08499	4.8
359.09131	16.4
369.07602	19.3
371.09116	40.4
373.06866	6.6
381.07452	29.6
383.08835	4.9
387.08243	12.0
392.56131	4.0
397.07013	18.0
399.08630	91.2
400.09073	6.7
401.10208	10.7
415.08057	20.6
417.09515	4.6
425.06439	9.2
427.07834	12.4
433.09265	6.6
443.07532	17.5
445.09299	21.5
457.08978	9.2
461.08627	55.9
475.09982	9.7
489.08145	51.2
493.11411	9.2
521.03308	8.0
521.10724	100.0
522.11066	7.1
628.85730	4.7
714.88025	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	747.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78152	1.9
66.28439	2.0
69.05298	13.9
79.05490	6.0
88.71595	1.9
91.05478	3.4
93.07064	3.4
93.63867	2.2
94.06577	8.0
101.13317	2.0
103.05477	5.6
108.08132	13.5
115.42147	1.9
116.04977	6.8
120.04470	8.4
120.08087	41.8
122.06017	23.6
134.06030	3.8
136.07571	40.0
138.05495	12.6
138.09076	2.9
144.03438	2.6
144.04404	10.8
146.06020	8.6
148.07567	83.8
150.09116	2.6
152.06967	2.7
162.05537	4.9
163.03914	5.4
163.26685	2.1
166.04967	2.8
166.08684	9.1
172.03923	68.5
174.05502	4.5
183.06686	2.5
190.04964	22.6
197.10725	3.1
199.12262	2.4
204.06552	82.7
205.06825	2.2
209.10643	2.7
212.09506	2.6
223.12289	3.5
224.09312	2.8
225.10258	10.0
227.11797	8.3
237.10158	16.3
238.11003	2.4
239.11761	6.6
241.09761	4.1
249.10342	4.3
251.11766	9.3
252.08624	18.4
252.12361	2.3
253.09731	13.9
255.11288	12.3
264.08920	5.2
265.09686	23.4
266.10355	3.5
267.11340	2.5
269.12811	4.5
271.10773	5.8
278.06561	4.4
279.11285	15.5
280.08206	2.7
281.12836	9.0
283.10654	6.6
285.12320	2.3
287.13965	4.6
293.09247	18.8
294.09714	2.7
295.10767	4.3
297.12302	7.8
299.10156	3.6
307.10715	10.3
309.12320	4.3
311.10318	4.0
312.11081	5.2
313.11871	6.0
323.10239	5.6
325.11899	14.9
327.13608	2.7
335.10056	11.0
339.13406	15.8
340.10168	3.2
341.11276	7.6
353.11279	10.0
356.13986	3.5
359.12323	5.8
372.17139	2.7
373.14063	3.5
385.13882	5.1
398.15002	4.0
399.15894	5.8
411.12042	10.6
414.17883	4.3
416.15771	6.2
418.17526	3.0
440.15784	2.7
442.17935	3.5
443.14456	33.1
458.16937	5.2
460.18805	10.6
476.21756	2.8
488.18088	36.1
492.21268	3.9
506.19275	4.1
507.19562	3.0
510.06720	2.6
520.20605	6.6
548.20520	3.5
551.18726	9.0
564.19757	8.8
574.17761	7.0
592.19196	100.0
593.18860	5.0
596.22083	7.5
606.20856	11.0
607.20825	4.5
611.25079	5.6
624.21765	30.3
653.25879	5.1
697.24841	25.5
709.15674	3.0
747.36597	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	747.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46378	1.9
53.58170	1.7
54.98599	2.0
67.05505	2.6
69.76558	4.4
69.76919	4.3
79.05491	5.7
85.02886	3.5
89.03913	3.5
91.05507	5.0
93.07030	6.3
94.06563	9.8
95.04951	2.6
96.08121	2.7
99.04457	2.3
103.05457	7.8
105.07032	3.4
108.08132	14.9
116.05000	3.6
118.06543	2.7
120.04448	5.9
120.08094	39.3
122.06015	15.3
124.07595	4.2
131.04933	5.3
134.05960	4.6
135.04398	3.3
136.07570	31.5
137.05949	5.8
138.05484	7.7
138.09084	3.4
144.04451	7.4
146.06010	11.0
148.07561	90.6
150.09099	3.4
162.05487	6.1
163.03882	12.3
164.06996	2.8
166.04994	4.0
166.08641	9.1
169.57703	1.8
172.03903	36.4
174.05452	3.4
177.12640	2.7
183.06505	2.7
184.07652	2.0
184.09886	1.9
186.05399	2.1
189.18402	2.0
190.04985	23.0
197.10643	4.2
198.11415	2.9
204.06549	30.5
208.09872	3.3
210.11450	2.3
211.12215	3.4
212.09445	5.0
223.12228	2.1
224.09340	4.7
225.10185	11.3
226.10991	3.3
227.11754	9.8
233.10663	2.1
236.09271	2.7
237.10204	20.1
238.10968	4.0
239.08119	2.6
239.11754	8.3
240.08757	2.2
241.09645	4.4
249.10185	4.4
250.07396	2.1
250.10938	3.0
251.08069	3.1
251.11749	10.5
252.08701	26.9
253.09666	21.0
253.13470	2.4
254.10338	3.9
255.11249	12.5
263.11639	4.0
264.08847	3.2
265.09692	27.1
266.10425	8.6
267.11346	10.1
269.12820	6.1
271.10690	5.5
277.09808	2.2
278.06558	8.3
278.10434	3.1
279.11215	17.8
280.11816	2.1
281.09149	5.5
281.12778	10.5
283.10730	8.0
284.11600	2.0
285.12225	7.4
287.13812	4.8
291.11200	5.1
292.08020	3.5
293.09125	20.5
294.09854	8.1
295.10745	7.2
296.11725	2.0
297.12274	8.3
299.10245	4.0
299.13943	3.4
306.09988	2.4
307.10748	12.1
309.12292	11.7
311.10110	3.6
312.11044	4.6
313.11728	6.0
315.13474	4.5
325.11850	14.7
327.13049	3.0
331.16849	2.2
333.14282	4.4
335.10233	13.4
336.10565	2.6
339.13376	8.6
340.10632	2.7
341.11163	10.5
342.12219	3.6
344.13855	2.7
353.11279	13.6
358.15210	4.0
359.11896	2.2
367.12711	2.2
373.14026	4.7
385.13824	7.0
398.14917	4.9
399.15637	3.1
400.16595	3.4
411.11728	12.9
414.17850	3.8
416.15683	3.9
418.18039	3.4
430.17319	2.1
442.17490	2.6
443.14374	5.6
458.17105	5.0
460.18396	7.0
476.21304	7.0
488.18079	35.3
504.21207	4.8
506.19006	7.0
520.20752	5.7
524.20135	3.8
548.20239	3.8
551.18988	14.2
564.19769	5.6
574.18304	5.6
592.19189	100.0
593.19202	13.3
596.22479	3.2
606.20526	3.3
607.21533	12.2
611.24725	3.1
624.21747	18.4
653.25958	4.0
679.23969	3.2
697.24969	20.0
698.25568	2.5
718.20081	2.2
747.37756	11.8
747.49603	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59206	0.6
69.27993	2.1
69.28405	1.4
76.55490	0.6
140.60306	0.7
157.14259	0.6
168.95053	0.6
271.11536	0.6
283.45160	0.9
303.11914	1.0
437.19312	100.0
438.19635	5.9
558.99921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80492	0.7
65.75819	0.8
78.74380	0.8
81.07034	0.8
85.22268	0.7
91.05505	0.7
100.23376	0.8
152.69012	0.9
168.27562	0.8
184.07344	1.4
195.43018	0.8
203.79137	0.7
438.10266	0.9
487.98276	1.0
746.58026	1.0
747.40692	100.0
748.41174	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	747.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01874	0.4
55.05510	1.1
56.87415	0.3
57.03421	1.6
57.07072	0.3
61.02921	3.6
67.05495	4.3
69.03418	2.1
69.07066	1.4
71.01358	0.3
71.04999	0.7
73.02908	2.9
79.05485	4.0
81.03417	1.5
81.07042	4.6
82.33204	0.3
83.08623	0.8
85.02893	4.0
86.09679	0.5
87.04453	0.4
91.03947	2.8
91.05471	2.6
93.07033	6.1
95.04970	1.0
95.08595	2.2
97.02885	3.5
97.06533	0.6
98.22907	1.2
99.04469	0.6
100.39331	0.3
101.02386	1.5
103.03945	0.2
105.07027	2.2
105.10432	0.3
107.08598	2.8
109.02881	0.8
109.10165	0.5
111.08102	0.5
115.03925	0.2
116.61802	0.2
117.07034	0.7
119.08553	1.6
121.10117	1.7
127.03886	1.4
131.08604	0.9
133.10083	1.3
135.11722	1.1
142.56105	0.3
143.08551	0.3
145.05017	0.3
145.10103	0.6
147.11757	0.9
149.13251	2.1
156.02541	0.3
157.10075	0.3
159.11716	1.1
166.67032	0.3
184.07318	1.4
185.04298	1.0
195.13887	0.3
203.05307	0.6
206.61246	0.3
235.13115	1.0
235.30809	0.2
243.08354	2.7
259.07843	0.3
259.20599	0.4
269.17581	0.6
288.08563	0.3
291.15628	0.3
301.08926	1.2
313.08823	0.3
315.10675	0.6
317.20917	0.5
333.16904	0.3
341.12112	0.3
373.11145	0.3
387.12570	0.3
397.18567	0.4
443.18887	0.8
453.20895	10.2
454.05002	0.2
454.21362	0.4
465.21103	0.7
525.23199	1.6
535.28705	5.0
539.24536	0.3
553.26605	0.4
567.27856	0.3
570.96375	0.3
609.32196	0.4
645.47205	0.3
677.34631	0.4
698.26172	0.3
747.42761	100.0
748.43097	7.9
748.56702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
53.23291	0.5
55.05508	1.4
57.03438	2.6
61.02924	6.9
67.04196	0.5
67.05498	5.5
67.74945	0.4
68.60728	0.5
69.03419	3.5
69.07068	1.3
69.34480	1.0
69.34889	1.6
69.88511	0.4
70.50764	0.4
73.02906	5.2
79.05503	3.4
81.03400	2.8
81.07049	5.1
83.08635	1.2
85.02898	6.5
85.03357	0.7
91.03934	4.3
91.04396	0.4
91.05482	2.9
93.07047	4.7
95.04965	1.3
95.08604	4.4
97.02883	5.9
99.04469	1.3
101.02398	2.1
105.07040	1.7
107.08612	1.9
109.02902	1.0
109.10168	1.6
111.08159	0.5
115.03918	0.5
119.08601	1.3
121.10143	1.5
124.76245	0.4
127.03925	1.6
131.08575	1.4
133.10191	0.8
135.11703	0.9
137.95461	0.4
145.10150	0.8
147.11697	1.1
159.11784	0.5
175.11122	0.5
185.04311	0.5
193.12201	0.7
243.08449	2.0
251.12605	1.0
253.19893	0.6
267.95050	0.5
469.20428	3.9
484.53986	0.6
519.29224	8.0
606.44617	0.5
747.42767	100.0
748.43182	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	747.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53220	0.3
53.03941	0.4
55.05505	1.1
57.03428	1.4
61.02917	4.2
65.56815	0.3
67.05493	2.8
68.13440	0.3
69.03436	2.6
69.07059	0.8
69.25941	0.7
69.26331	0.8
71.04974	0.4
73.02905	2.4
79.05487	2.6
81.03406	2.3
81.07052	3.5
83.08623	0.9
85.02895	5.2
87.04483	0.5
87.96387	0.3
91.03929	1.9
91.05474	2.4
93.07039	2.3
95.04974	1.2
95.08604	1.8
97.02882	4.0
97.89295	0.3
98.23432	0.8
99.04447	0.8
101.02357	1.8
105.07018	1.6
107.08622	1.1
109.02876	0.5
109.06519	0.5
109.10158	0.8
115.03959	0.4
119.08576	1.6
121.10151	1.1
127.03928	1.2
129.07048	0.5
131.08591	0.9
133.10138	0.9
135.11726	0.4
147.11693	1.0
148.13811	0.3
149.13283	0.3
157.10043	0.4
168.22787	0.3
175.06795	0.3
175.11288	0.5
175.81656	0.3
185.04245	0.7
193.12286	0.9
211.13487	0.4
243.08388	1.7
251.12419	0.4
335.25854	0.7
469.20352	8.4
519.29462	4.1
674.32813	0.4
732.95477	0.4
747.42749	100.0
748.43085	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	748.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
54.68591	0.8
55.01867	2.2
65.03934	6.3
67.05493	7.3
68.99785	5.1
69.03879	0.8
69.14962	5.2
77.03929	2.9
79.05489	3.4
81.03401	2.6
83.04954	1.6
89.03895	1.2
91.05468	3.7
93.03379	6.0
95.04961	18.0
103.05441	1.0
105.03376	14.5
105.04485	2.1
107.04941	24.6
109.02871	2.7
111.04440	22.2
115.05433	1.3
121.02876	1.7
123.04414	16.6
129.06975	1.5
131.04942	1.7
133.02835	54.4
134.03618	2.1
135.04407	23.6
136.04710	1.0
137.02359	5.5
139.03885	41.3
140.04250	1.2
141.06970	5.8
143.68224	1.0
145.02800	1.4
147.04408	3.3
149.02324	3.7
150.03093	1.1
151.03885	16.9
152.06190	2.0
153.05739	0.8
153.06976	5.1
155.08556	2.2
160.36455	1.1
161.02341	8.4
163.03899	12.4
165.06985	20.9
167.03441	2.2
167.04819	1.8
167.08530	2.1
169.06474	9.2
175.03961	4.3
177.01839	1.4
179.03375	100.0
180.03806	3.0
181.04970	45.9
181.06483	9.5
182.05232	1.3
182.07207	1.4
183.08049	2.7
185.05937	1.3
187.03944	1.2
187.07553	1.9
191.04884	2.3
193.06467	13.5
195.02921	2.0
195.08075	1.1
197.05942	17.1
199.07593	4.9
205.06560	1.3
207.04411	1.1
208.05374	1.4
209.04497	1.0
209.06013	15.1
210.06619	1.2
210.07642	1.2
211.07553	10.2
213.05434	4.6
215.06969	5.0
221.05925	17.0
223.07486	2.9
225.05493	5.3
227.07031	4.8
231.02858	1.9
235.03703	1.2
236.04691	1.4
237.05460	24.2
238.06093	3.4
239.07007	30.8
240.07401	1.3
241.04848	4.3
241.08459	2.0
242.05722	1.3
243.06485	1.9
249.05455	8.1
251.07040	1.9
253.04947	4.4
255.06450	12.8
256.07211	4.1
257.04523	1.0
257.07983	4.2
265.04938	24.2
266.05475	2.5
267.06454	9.2
269.04379	2.0
270.05234	1.4
271.05905	3.6
277.04950	5.1
281.04388	2.9
282.05118	2.2
283.05975	63.4
284.06448	2.6
285.07489	4.9
293.04523	2.4
294.05106	1.0
295.05994	15.2
299.05396	7.0
300.06345	1.6
301.06992	4.7
311.05472	12.8
313.06958	3.4
317.06592	2.3
321.03708	2.8
323.05521	9.3
327.04953	2.4
329.06616	3.4
339.04865	2.0
341.06955	1.0
345.05939	2.3
357.06284	1.9
363.07059	1.8
371.09012	1.6
373.05432	1.9
382.07794	1.1
389.10193	1.8
417.09726	1.8
433.09021	1.3
435.43762	1.3
463.10181	3.7
479.09641	1.7
489.07806	1.4
491.09528	1.2
507.08887	2.7
575.28479	1.1
617.98218	1.1
667.10217	1.2
677.04706	1.0
685.11218	1.3
688.02069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53585	1.1
54.03197	1.0
55.01853	2.9
55.10172	1.0
58.80412	1.0
59.42535	1.1
65.03934	10.6
67.05492	2.0
68.99779	3.9
70.06588	1.2
71.43070	1.4
77.03922	1.5
79.01822	1.4
79.05487	3.5
81.03405	2.4
89.03915	1.5
91.05482	7.7
93.03405	8.4
95.04971	10.7
103.05537	1.1
105.03374	3.7
105.04474	1.2
107.04946	22.0
109.02885	1.5
110.06049	1.3
111.04438	44.3
112.04764	2.4
117.03342	2.4
119.04935	6.1
120.04472	3.3
121.02849	5.6
122.06023	3.1
123.04421	16.2
125.04763	1.3
126.16162	1.1
132.04433	2.4
133.02850	22.2
133.05225	1.8
134.05920	1.2
135.04402	50.6
136.04683	1.8
136.07559	3.0
137.02350	13.3
137.05969	3.2
138.02621	1.5
138.05481	7.7
138.09091	1.6
139.03889	97.8
140.04248	3.3
140.07060	3.4
147.04411	3.8
148.03902	7.4
149.02325	7.1
149.04654	6.2
149.05858	1.9
150.02823	1.5
150.05479	2.3
151.03885	9.0
151.05188	1.5
151.06265	11.1
152.07141	1.4
153.04326	1.9
153.05464	10.1
153.06868	2.0
161.02298	3.4
162.05481	2.2
163.03902	28.4
164.07057	33.6
165.06937	11.6
166.08598	6.8
167.08527	1.2
168.06554	11.8
169.04956	2.2
169.06445	3.0
175.03891	4.0
176.03305	1.9
177.01816	7.8
177.04195	12.0
177.06863	1.7
178.02385	1.9
179.03374	40.5
180.03955	1.6
180.06503	6.3
181.04947	96.7
181.06392	4.2
182.05333	3.2
182.08205	1.6
183.08005	2.2
187.03923	4.4
192.06543	14.7
193.06476	7.5
194.06894	1.7
195.02917	3.4
195.05254	5.4
195.07951	1.7
197.05957	8.1
199.07539	2.6
203.03464	6.9
205.04854	2.0
205.06503	4.4
208.06032	16.1
209.04379	5.1
209.06357	13.4
210.04900	2.5
210.07658	32.0
211.07648	6.9
213.01904	3.0
213.05624	1.9
221.05940	21.9
222.06381	2.7
223.07518	7.1
225.05489	8.6
227.07138	1.7
228.06364	1.5
228.08684	3.8
231.02834	8.5
233.05975	3.1
237.05391	9.7
238.05969	1.8
239.07013	20.0
241.04868	2.1
249.05446	29.3
249.07928	2.2
250.05843	6.3
251.07001	7.5
252.04327	2.7
252.06966	1.7
253.04910	10.7
255.06511	10.3
256.07138	3.7
257.08051	1.9
259.03656	1.7
259.06171	1.3
261.05341	1.5
263.07056	1.4
265.04907	8.5
266.05490	3.7
267.06476	14.6
268.07047	1.9
269.04407	3.4
269.08017	2.1
271.06027	2.0
277.04971	28.8
278.05530	4.7
279.06534	6.6
281.04367	9.8
283.05933	20.1
284.02966	1.4
285.07349	1.8
289.04834	1.7
294.05258	3.7
295.05975	74.6
296.06345	8.4
297.07629	3.7
299.05310	1.4
299.08813	1.1
301.06891	2.2
305.04416	4.9
311.05539	4.1
313.06885	9.8
321.03903	5.9
322.04324	4.3
323.05463	100.0
324.05786	8.6
325.07599	1.6
341.06427	9.2
342.06512	1.4
353.08011	2.3
354.08484	2.7
359.09012	1.7
360.09259	1.8
365.06790	1.9
370.08090	1.7
371.08954	3.5
372.09564	4.1
381.07532	2.3
382.07892	4.5
387.08606	1.9
388.08966	2.3
397.06967	1.8
398.07571	2.3
399.08746	8.2
400.09021	10.6
401.10046	1.6
415.07993	2.2
416.08295	3.4
428.08527	1.5
433.09094	1.7
434.09753	1.2
443.07626	1.7
444.07910	1.4
445.08914	2.6
446.09402	3.4
447.10443	2.0
461.08603	4.3
462.09103	6.9
463.09662	2.0
476.10599	2.0
479.09695	2.0
489.07999	7.2
490.08298	4.6
493.11588	5.7
521.10785	25.6
522.11084	19.0
550.13049	4.0
646.79425	1.4
748.17017	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
63.63010	0.9
64.96207	1.0
65.03935	3.9
68.73095	1.1
68.99799	2.7
69.58295	3.1
72.85218	0.9
77.03933	1.5
78.72483	0.9
79.05475	1.9
81.03416	1.4
89.03899	1.4
91.05470	12.4
93.03392	3.5
93.05779	1.4
95.04965	6.1
104.04984	1.7
105.03376	1.6
105.04495	1.1
107.04973	6.1
107.05608	1.2
110.06087	1.3
111.04438	9.0
117.03352	2.6
118.40224	1.4
119.04934	9.0
120.04463	3.9
121.02849	5.3
121.06491	4.4
122.06013	6.0
123.04424	18.5
125.04736	5.0
125.05970	1.1
132.04482	3.4
133.02861	11.5
133.05251	3.6
134.05986	2.1
135.04405	10.6
136.07568	5.5
137.02342	7.2
137.06013	3.0
138.02634	1.4
138.05498	15.1
139.03899	18.2
139.06279	11.5
140.04199	1.7
140.07060	15.1
146.05981	2.5
147.04425	3.0
148.03915	11.7
149.02345	4.6
149.04677	10.1
149.05876	2.0
150.02760	1.3
150.05493	7.6
151.03880	2.3
151.06274	22.1
152.07092	7.3
153.04192	3.2
153.05452	5.8
153.07294	1.4
162.05522	2.2
162.85052	1.2
163.03883	6.8
163.06224	1.1
164.07054	86.5
165.05455	3.2
165.07095	4.1
166.08626	18.7
167.05753	1.7
168.06560	36.9
174.05475	1.0
175.03906	6.0
176.03430	1.9
177.01860	7.0
177.04196	30.1
178.02162	1.6
179.03395	5.4
180.06522	13.7
181.04948	8.2
181.06511	1.8
182.05461	1.5
182.08130	21.4
187.03902	3.8
192.06558	36.5
193.04993	2.1
193.06578	5.2
195.02965	1.7
195.03374	1.9
195.05258	14.2
197.05946	1.9
205.06456	2.1
208.06039	28.8
209.04395	2.8
209.06433	7.9
210.07614	100.0
211.07764	6.1
213.01685	1.4
221.05971	19.0
222.06371	2.5
223.07535	4.3
225.05447	7.3
228.06378	2.7
228.08649	42.7
231.02811	2.0
233.05902	2.4
237.05464	3.4
239.07016	6.0
249.05434	21.6
250.05887	4.6
251.06982	3.8
253.04959	4.5
255.06371	5.5
259.03809	1.1
262.82651	1.2
263.07141	1.8
265.05087	2.5
266.05600	1.9
267.06506	10.4
268.06885	1.6
269.08041	2.0
270.04874	1.5
270.10205	1.2
271.05850	1.4
277.04922	17.6
278.05444	2.8
279.06387	2.3
280.06946	1.3
281.04443	3.6
283.05978	2.6
293.04364	1.9
294.05124	4.3
295.05975	53.0
296.06250	7.0
297.07474	2.0
299.09152	5.7
311.05328	1.6
313.07089	3.3
321.03891	5.5
322.04413	3.4
323.05447	36.9
324.05780	4.5
325.07156	3.9
326.08859	2.0
341.06631	4.2
343.08301	3.4
353.08008	3.3
354.08365	1.9
359.08957	2.1
360.09503	2.3
369.07468	2.2
370.07724	1.3
371.09235	2.6
372.09494	3.9
381.07568	4.4
382.07858	4.3
387.08813	2.3
387.96213	1.1
388.09009	2.5
398.07462	2.9
399.08524	8.8
400.09009	10.6
415.08148	1.9
416.08514	3.3
425.06122	2.0
426.06738	1.3
427.07990	1.8
428.08511	2.2
429.09396	1.3
433.08966	1.2
434.09674	1.9
437.33731	1.5
443.07465	2.3
444.07962	3.4
445.08981	4.0
446.09363	3.1
461.08563	4.5
462.08896	9.0
463.09814	1.4
472.07318	1.4
476.11252	1.6
489.08203	9.1
490.08472	7.3
493.10852	1.6
494.11502	2.2
510.81812	1.1
521.10938	7.7
522.11157	16.7
523.10840	1.6
531.86182	1.3
550.13324	62.4
551.13611	4.1
584.93958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38543	0.4
55.01863	0.7
65.03941	5.0
67.05495	0.9
67.81485	0.4
71.41145	0.7
82.04196	1.2
89.03902	0.7
89.82359	0.4
91.05476	1.5
93.03412	2.9
95.01337	0.7
95.04965	1.0
95.37537	0.4
102.03913	0.4
103.05460	0.6
107.04952	1.4
110.03651	5.2
111.04437	5.2
117.03314	0.6
117.07058	0.6
119.04936	0.5
121.02866	4.8
121.06500	0.5
123.04411	0.5
125.05990	6.9
131.04936	1.1
135.04446	1.9
137.05991	1.9
138.03117	0.5
139.03824	0.6
145.02879	0.8
145.06468	1.4
147.04378	0.8
149.02356	2.0
151.03883	1.0
151.07497	0.8
153.05452	14.6
157.06487	0.6
159.07973	0.9
161.05991	1.5
161.09581	0.9
161.31670	0.5
162.62952	0.5
163.03885	5.2
163.07533	0.4
165.06972	0.9
167.07100	0.7
167.08574	0.7
175.07549	1.6
177.05548	0.7
178.07695	0.6
179.07114	0.6
179.08574	0.6
181.04974	0.9
181.06470	0.5
182.07281	0.6
184.05205	1.0
193.10245	0.6
195.08040	1.7
197.05968	0.9
197.09607	0.7
199.07501	0.5
206.07281	0.6
208.08838	0.5
209.06052	0.8
210.06741	1.5
211.07510	1.6
212.08417	1.1
213.09224	0.9
219.08066	0.7
219.10126	0.8
221.05923	1.1
221.09601	1.9
222.06711	0.5
222.10376	0.6
223.07556	2.1
224.08357	1.3
225.09055	2.5
227.07033	1.4
227.10693	0.9
234.06770	1.4
235.07564	1.0
235.11090	0.5
237.09081	2.3
238.06221	1.2
238.09912	1.8
239.07062	2.3
239.10703	1.5
240.07771	4.5
241.08549	1.4
249.05411	0.8
249.09105	1.6
249.11356	0.8
250.09860	0.8
251.07027	1.3
251.10686	0.6
252.07805	1.5
253.08601	10.2
253.12231	4.3
254.09291	2.0
254.12755	0.5
255.06509	1.1
255.10170	3.3
257.08115	1.5
263.07059	0.6
265.08624	1.3
266.05905	0.6
266.09341	1.8
267.06586	0.9
267.10165	2.3
268.07318	1.3
268.10629	0.6
269.08044	1.2
270.08990	1.0
271.13312	0.8
277.08585	0.8
278.09360	0.6
279.06525	0.6
279.10226	0.5
280.07242	0.4
281.08023	3.0
281.11710	4.3
282.08786	1.3
283.06284	0.8
283.09671	5.1
284.10330	2.3
285.08041	0.5
285.11209	2.5
285.14780	1.5
294.08603	0.7
295.09613	2.2
296.10315	0.8
297.11157	1.2
298.11902	1.3
299.12723	4.5
300.10202	0.6
309.11151	4.8
310.12015	1.9
311.12878	0.7
313.10663	7.4
313.14355	3.1
327.12238	20.4
328.13007	2.6
331.15353	2.8
339.12305	0.6
340.78986	0.4
341.13864	1.8
343.15442	1.0
359.14862	100.0
360.10995	0.6
360.15234	6.2
371.14896	4.3
372.15283	0.5
389.15823	1.7
390.11786	0.7
398.11554	0.5
445.89658	0.4
465.96887	0.4
595.99475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01865	6.8
55.05491	1.5
57.03431	5.0
61.02928	5.5
67.05487	2.9
68.99783	4.1
69.03424	38.2
69.07039	1.1
71.01342	1.1
71.04976	5.0
73.02914	4.9
75.37413	0.8
79.05479	1.7
81.02972	1.2
81.03413	21.5
81.07047	5.7
85.02899	100.0
85.70175	1.0
87.00822	48.7
87.04421	0.9
91.05447	1.5
93.07027	3.8
95.08595	4.1
97.02886	35.9
97.10155	2.6
99.04440	12.9
103.03947	1.0
105.01861	75.2
105.07018	3.3
107.08574	3.5
109.02870	33.1
109.10147	4.8
111.04411	1.9
115.03894	1.1
117.01795	1.4
119.08580	2.1
121.10139	3.7
121.10991	0.9
123.04411	2.1
123.11689	4.1
127.03907	79.4
128.04224	1.3
129.01790	3.5
131.08519	1.3
133.10088	3.7
135.11688	3.4
139.03944	1.2
145.04942	27.6
147.02873	2.9
147.11627	3.2
149.13187	5.5
159.02887	10.1
161.13251	5.7
162.75621	0.9
163.03940	1.2
171.02808	1.8
175.14775	6.6
179.14310	1.2
181.04932	1.5
187.14940	2.1
189.03906	3.6
201.16383	2.0
206.31525	1.2
213.03891	7.8
231.04979	35.1
249.06035	18.6
253.07043	2.1
257.22626	32.0
271.08237	2.2
275.23676	27.9
276.23862	1.3
285.18988	1.2
285.22144	3.3
303.23120	8.8
321.24072	3.0
321.90182	1.1
341.24606	1.3
357.08270	1.0
365.24734	2.0
383.25711	2.5
393.10315	1.2
469.25861	1.6
487.27026	7.6
505.27863	8.2
551.28528	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	748.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.5
55.01865	6.2
55.05509	2.6
57.03426	4.6
61.02918	7.7
62.08071	1.3
64.24601	1.4
67.05497	3.3
68.99790	2.6
69.03419	34.8
69.07059	3.9
69.69708	5.2
71.04993	2.8
73.02895	5.0
79.05489	8.0
81.03411	22.7
81.07040	9.7
83.08596	2.1
85.02894	100.0
87.00819	40.6
91.05458	3.7
93.07055	4.2
95.04942	1.9
95.08609	7.8
97.02881	40.1
97.06516	1.8
97.10182	1.9
99.04446	11.0
101.02325	1.3
101.93485	1.4
105.01852	72.9
105.07037	7.6
107.04922	2.8
107.08565	4.0
108.66119	1.3
109.02865	34.5
109.03548	2.3
109.10144	3.1
111.04459	2.2
117.01833	3.1
117.66597	1.4
119.08566	4.5
121.10122	2.1
123.04404	2.0
123.11729	2.6
125.05978	11.5
127.03899	76.4
128.04291	2.2
129.01855	4.8
133.10110	2.6
135.04352	3.3
139.03883	2.5
145.04942	30.3
145.10106	2.3
147.02907	3.2
147.11618	2.8
151.03891	1.8
151.07587	1.8
151.14798	2.9
159.02863	9.6
161.09637	2.6
163.03909	4.3
175.11182	2.8
175.14752	1.8
181.04903	2.1
183.06447	1.7
189.03937	2.8
193.12239	2.1
203.14311	4.9
213.03896	7.8
221.15276	2.6
231.02823	2.4
231.04965	29.4
233.15680	1.4
249.05922	11.4
251.58304	1.7
253.07059	3.4
257.22589	3.2
271.08182	2.8
285.22113	17.3
295.05734	2.3
300.08740	3.8
303.23141	8.9
323.05521	3.0
393.10440	1.8
533.26990	4.1
674.18390	4.6
730.77527	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84563	1.1
62.15506	0.8
65.03940	13.9
66.91994	0.9
69.82027	1.9
69.82353	1.3
74.64544	0.9
79.05488	2.3
81.03408	1.0
89.03914	2.0
91.05479	9.1
93.03404	17.3
95.04957	2.0
97.16563	0.7
101.71020	0.8
105.09522	0.8
107.04961	15.9
111.04440	51.2
112.04764	1.6
116.95205	0.8
117.03339	1.6
119.04930	3.2
121.02842	2.1
121.06428	1.0
123.04456	4.5
131.04967	1.1
133.02834	2.1
135.04410	55.5
136.04709	1.5
137.02345	5.3
137.05949	3.0
139.03891	97.4
140.04237	3.1
149.02347	2.0
150.03123	1.6
151.03915	1.5
153.05418	1.4
157.02817	0.9
163.03900	23.6
163.74741	1.0
164.04305	1.9
165.05603	1.5
165.06938	9.3
169.04929	5.6
177.01782	2.5
177.06938	1.7
178.02440	1.6
179.03505	1.5
181.04947	90.7
182.05234	2.9
187.03896	3.9
187.85776	0.9
193.04906	2.5
193.06458	5.7
195.07993	1.2
197.05937	2.2
203.03365	7.5
204.03659	0.8
205.06496	3.8
209.04462	2.6
210.05046	1.8
211.05882	5.7
211.07571	2.3
213.01822	4.4
221.05966	24.7
222.06483	1.2
223.07510	4.0
225.05467	9.0
231.02831	7.9
233.03827	1.1
233.06017	3.0
239.06979	7.6
249.05463	23.9
250.06010	4.7
251.07187	4.3
252.04178	3.0
253.04984	8.3
255.06506	3.8
259.03860	0.9
261.05368	1.3
267.06467	12.6
268.07062	1.1
269.04572	1.2
269.07715	1.1
271.06036	1.7
277.04929	22.9
278.05481	3.0
279.06500	4.9
281.04443	9.7
284.03006	1.0
285.07526	1.8
294.05148	3.5
295.05991	69.4
296.06351	4.7
297.07434	4.2
305.04449	4.7
309.07520	2.9
313.06906	7.4
322.04526	1.2
323.05469	100.0
324.05823	6.4
325.06555	2.7
337.06995	7.3
341.06430	6.8
365.06677	2.3
393.05780	1.1
411.07132	2.2
447.10339	1.0
484.76810	1.1
493.11258	6.3
521.10657	8.8
522.10974	2.9
766.48163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84563	1.1
62.15506	0.8
65.03940	13.9
66.91994	0.9
69.82027	1.9
69.82353	1.3
74.64544	0.9
79.05488	2.3
81.03408	1.0
89.03914	2.0
91.05479	9.1
93.03404	17.3
95.04957	2.0
97.16563	0.7
101.71020	0.8
105.09522	0.8
107.04961	15.9
111.04440	51.2
112.04764	1.6
116.95205	0.8
117.03339	1.6
119.04930	3.2
121.02842	2.1
121.06428	1.0
123.04456	4.5
131.04967	1.1
133.02834	2.1
135.04410	55.5
136.04709	1.5
137.02345	5.3
137.05949	3.0
139.03891	97.4
140.04237	3.1
149.02347	2.0
150.03123	1.6
151.03915	1.5
153.05418	1.4
157.02817	0.9
163.03900	23.6
163.74741	1.0
164.04305	1.9
165.05603	1.5
165.06938	9.3
169.04929	5.6
177.01782	2.5
177.06938	1.7
178.02440	1.6
179.03505	1.5
181.04947	90.7
182.05234	2.9
187.03896	3.9
187.85776	0.9
193.04906	2.5
193.06458	5.7
195.07993	1.2
197.05937	2.2
203.03365	7.5
204.03659	0.8
205.06496	3.8
209.04462	2.6
210.05046	1.8
211.05882	5.7
211.07571	2.3
213.01822	4.4
221.05966	24.7
222.06483	1.2
223.07510	4.0
225.05467	9.0
231.02831	7.9
233.03827	1.1
233.06017	3.0
239.06979	7.6
249.05463	23.9
250.06010	4.7
251.07187	4.3
252.04178	3.0
253.04984	8.3
255.06506	3.8
259.03860	0.9
261.05368	1.3
267.06467	12.6
268.07062	1.1
269.04572	1.2
269.07715	1.1
271.06036	1.7
277.04929	22.9
278.05481	3.0
279.06500	4.9
281.04443	9.7
284.03006	1.0
285.07526	1.8
294.05148	3.5
295.05991	69.4
296.06351	4.7
297.07434	4.2
305.04449	4.7
309.07520	2.9
313.06906	7.4
322.04526	1.2
323.05469	100.0
324.05823	6.4
325.06555	2.7
337.06995	7.3
341.06430	6.8
365.06677	2.3
393.05780	1.1
411.07132	2.2
447.10339	1.0
484.76810	1.1
493.11258	6.3
521.10657	8.8
522.10974	2.9
766.48163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46113	3.4
64.97621	2.8
100.64528	3.3
119.01897	5.0
143.01903	10.4
145.03484	5.5
155.01906	23.4
157.03491	5.0
161.02943	11.8
169.03494	5.7
173.02924	28.1
174.02927	3.5
185.02948	16.3
185.47763	3.2
187.04514	4.1
193.92203	3.7
197.02885	9.2
203.04008	10.5
226.99901	5.0
227.04012	3.5
238.99887	3.7
245.05107	25.3
257.05020	9.3
263.06241	3.1
287.06094	4.4
305.07153	8.5
347.08160	43.6
365.09286	17.5
407.10324	100.0
408.10696	8.8
466.20615	3.2
467.04910	12.5
467.12448	29.5
497.08118	10.8
527.05963	15.0
527.15833	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	749.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29634	2.8
71.42714	3.9
111.51033	2.9
119.01903	3.5
119.92210	2.6
120.60605	2.8
143.01901	12.2
145.03432	5.7
155.01862	19.6
161.03006	9.5
173.02962	31.0
185.02904	9.5
187.04539	4.2
197.02956	5.3
199.04639	4.8
203.03999	8.5
215.04028	7.4
226.99747	4.2
227.03896	4.6
232.99858	3.3
245.05025	17.0
257.05057	6.7
263.05939	3.6
305.07211	6.4
320.02679	4.6
347.08179	38.2
348.08173	3.5
365.09305	17.6
407.10287	100.0
408.10526	4.9
467.06467	4.2
467.12619	34.0
468.12738	5.5
482.07935	6.2
497.08124	8.8
497.58145	7.4
517.87744	4.0
527.06189	14.3
608.95135	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	749.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27802	0.9
55.05487	1.1
57.03429	1.3
61.02918	5.7
67.05492	5.7
69.03427	3.5
69.07071	1.7
71.05006	4.2
71.43199	0.9
73.02924	4.8
79.05487	4.8
81.03413	2.4
81.07029	4.2
83.08624	0.9
85.02896	4.3
86.09679	1.4
91.03957	3.2
91.05483	2.5
93.07053	4.4
95.08604	3.1
97.02901	4.4
101.02363	2.0
102.32923	0.9
105.07018	2.2
107.08585	2.2
109.02840	1.5
109.06451	1.0
109.10170	4.2
117.07007	1.3
119.08643	1.4
121.10110	1.7
127.03881	1.2
134.36635	0.9
135.11719	2.3
137.09659	1.6
145.04892	0.9
155.43230	0.8
173.11798	1.0
173.13406	0.9
184.07356	3.0
185.04286	1.4
203.05220	1.1
243.08382	2.3
382.39410	1.1
459.49496	1.0
471.21982	8.9
487.46881	0.9
519.29163	4.5
542.30188	1.0
749.44330	100.0
750.44550	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	749.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.05512	1.6
57.03428	2.8
61.02916	7.7
67.05497	8.5
69.03418	3.8
69.07090	1.7
70.61115	1.3
71.01370	0.6
71.04973	2.6
71.11784	0.5
73.02901	6.0
79.05479	5.6
81.03417	2.6
81.07038	6.4
83.05005	0.6
83.08618	0.7
85.02898	7.8
85.03352	0.7
85.06539	0.6
86.09709	0.6
87.04488	0.8
91.03954	3.8
91.05486	2.4
93.07022	4.4
95.04981	0.8
95.08595	4.2
97.02872	6.6
97.06531	0.8
99.04460	1.1
101.02410	2.5
105.06996	1.0
107.08552	3.1
109.02892	1.1
109.10124	4.4
117.07060	0.9
119.08613	1.8
121.10170	2.2
125.00031	0.6
127.03940	1.5
131.08568	1.4
133.10167	0.6
135.11725	2.0
145.10139	1.2
173.11612	0.7
184.07399	0.9
185.04242	0.6
243.08191	2.7
253.14200	1.0
319.77264	0.6
471.21957	4.1
518.46710	0.7
519.29211	8.0
749.44263	100.0
750.44641	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	749.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70156	0.5
53.03946	1.1
55.05510	1.2
57.03434	2.1
61.02917	7.3
66.02365	0.6
67.05497	6.9
69.03429	4.2
69.07069	1.7
71.04987	1.0
73.02913	5.4
75.04514	0.7
79.05479	4.3
81.03425	2.2
81.07048	7.9
83.08630	1.2
85.02892	6.8
86.09694	0.9
87.04489	1.1
91.03955	4.8
91.05491	2.7
93.07031	5.6
95.04965	1.2
95.08607	3.5
96.86188	0.7
97.02888	5.9
99.04472	1.0
101.02395	2.5
105.06998	3.8
107.08604	1.9
109.02863	1.5
109.10169	2.2
115.03963	1.1
117.06992	0.6
119.08565	1.0
121.10149	2.1
123.11687	1.0
127.03928	1.9
130.85034	0.6
131.08603	0.7
133.10184	1.6
151.78911	0.7
157.28989	0.6
184.07396	1.5
203.05359	0.8
209.91733	0.6
243.08443	2.9
253.14293	1.4
269.23889	0.6
335.25998	1.1
427.19449	7.2
471.22165	1.5
519.29364	10.4
520.29657	1.2
705.41858	6.8
749.44287	100.0
750.44678	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	750.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	9.3
67.37821	0.7
69.15372	3.0
69.15775	1.8
79.05476	2.7
89.03925	1.3
91.05482	6.7
93.03398	11.2
97.02902	0.9
107.04947	15.3
111.04440	48.6
112.04800	0.9
112.93780	0.8
119.04940	3.0
119.08605	0.8
123.04421	1.6
127.03925	0.8
135.04411	55.3
137.02350	4.1
137.05965	3.3
139.03894	94.7
140.04265	1.8
142.81433	0.7
145.02878	0.8
147.04414	1.0
152.97466	0.9
153.05463	7.6
157.02811	0.8
159.04501	1.0
163.03893	23.7
165.06996	5.4
177.05525	1.0
177.06979	1.4
181.04951	76.2
181.44093	1.1
182.05316	1.5
183.08118	0.8
187.03926	3.2
193.06436	3.8
195.08032	1.2
197.05978	2.8
203.03377	10.0
205.06508	4.3
209.04381	1.0
211.07545	2.8
213.01823	2.6
221.05972	21.3
223.07526	3.5
225.05437	10.1
231.02802	6.7
233.05954	2.2
239.07031	8.7
249.05455	21.9
250.06029	2.5
251.07028	5.0
252.04210	3.4
253.04932	7.5
255.06540	4.1
261.05356	1.7
267.06512	15.0
269.04352	1.7
271.06091	2.4
277.04938	27.0
278.05545	2.5
279.06525	6.3
281.04462	10.5
284.03207	1.0
285.07635	1.6
295.05997	66.2
296.06461	3.9
297.07410	4.6
305.04315	4.6
313.07080	8.1
319.08212	2.2
323.05475	100.0
324.05829	4.1
325.07104	2.3
337.06796	1.2
341.06549	7.5
365.06436	2.2
393.06104	1.2
411.07153	2.1
447.10672	1.4
475.10269	1.6
493.11276	8.5
503.10229	1.1
521.10724	29.0
522.11035	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	750.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01873	5.8
65.03938	3.4
69.03428	11.0
71.04985	6.2
74.33509	0.6
77.03914	1.0
78.52450	0.6
78.52898	0.6
79.05482	3.3
81.03416	2.2
85.02886	1.8
89.03896	1.4
91.05474	6.5
93.03419	3.4
94.04213	1.0
95.04961	3.5
97.02886	30.5
99.04446	16.1
102.04709	0.8
103.05463	39.7
104.05782	0.6
105.04496	0.9
105.07024	13.5
106.86821	0.5
107.04939	3.4
109.06451	0.6
110.03646	0.6
111.04446	8.3
112.04739	0.8
113.52961	0.6
115.05432	4.6
117.03346	1.5
117.06981	2.3
119.04939	7.5
119.08578	0.8
121.06491	1.4
122.03671	3.3
123.04405	1.9
123.08031	0.8
125.05988	6.1
129.06967	0.8
131.04916	100.0
132.05241	1.5
133.02852	5.7
133.06476	12.7
135.04407	7.0
135.08911	0.6
136.04855	0.7
137.05969	55.7
138.06285	1.2
139.03880	8.2
143.04939	1.2
143.06056	1.7
145.02855	1.6
145.06451	3.7
147.04396	7.6
147.08049	1.0
149.05942	3.4
150.06721	0.7
151.03906	13.6
151.05003	1.2
151.07574	3.2
153.05460	12.3
154.86324	0.7
155.04855	0.7
159.04411	1.5
159.08067	1.5
160.05191	1.9
161.05968	34.4
162.06715	2.2
163.03909	10.1
163.07530	41.9
164.04204	1.4
164.07870	1.1
165.05455	2.8
165.06857	0.9
167.03447	1.5
167.07007	0.9
172.05208	1.0
173.06058	1.1
175.07559	8.6
176.04648	1.7
177.05463	3.4
177.09085	2.5
179.03465	1.0
179.07014	4.0
181.04942	5.0
182.05351	1.1
187.03877	1.1
187.07530	9.8
189.78960	0.6
191.07016	17.6
191.08539	1.3
193.04837	0.7
193.06494	0.9
199.07494	0.8
203.07004	13.4
205.06833	0.6
205.08563	2.6
207.06445	1.3
215.07039	1.6
217.04980	1.2
217.08543	3.3
218.05228	0.8
219.06250	0.9
219.08176	1.5
221.06075	1.4
221.08057	21.1
222.08426	1.1
225.09132	0.6
227.06902	0.8
229.08583	0.8
232.03311	0.7
233.08075	4.7
235.07408	0.8
236.08401	0.6
237.05344	0.9
239.06915	1.3
245.08195	1.0
247.07532	1.1
249.05522	1.3
250.06096	0.8
251.08975	16.1
253.08562	1.8
261.03922	1.0
264.07660	0.6
265.08539	1.3
269.08060	0.7
277.05185	1.0
279.06924	1.0
279.10110	3.5
281.08170	1.2
283.06097	0.6
283.09451	0.7
285.11066	1.0
291.10101	1.7
295.05981	1.4
295.09518	1.1
297.11349	1.5
309.07529	1.4
311.12723	16.9
312.13007	0.8
313.10822	0.8
315.12186	1.0
323.05627	1.4
323.12888	3.3
325.07141	1.2
331.12051	1.0
339.04852	0.7
341.13724	2.4
351.12015	0.7
353.06503	1.0
354.06778	1.2
369.13205	0.9
371.07465	1.8
372.07819	2.6
373.12985	0.8
380.96490	0.7
381.13235	1.9
429.15427	3.4
449.16275	0.7
469.72928	0.6
503.17419	1.3
535.19446	1.5
578.13678	0.6
743.26300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.9
55.01880	14.1
55.05504	5.1
57.03436	6.9
61.02916	9.4
65.03941	6.6
67.05499	13.3
68.99772	4.5
69.03424	35.9
69.07050	5.0
69.64011	7.4
71.04977	6.7
73.02914	8.6
79.05492	14.3
81.03413	45.1
81.07050	22.0
83.04955	4.2
83.08678	1.8
85.02898	100.0
87.00822	40.5
89.03895	6.3
91.03953	2.8
91.05470	27.8
93.03408	7.4
93.07035	25.4
95.04965	6.8
95.08600	26.9
97.02885	42.7
97.03489	3.0
98.23459	2.4
99.04449	17.0
103.05486	4.4
105.01862	34.8
105.07021	55.5
107.04972	9.0
107.08585	25.1
109.02866	46.9
109.06528	4.3
109.10155	11.8
111.04437	31.9
115.03943	3.9
115.05456	3.6
117.01862	5.8
117.03361	8.1
117.07003	13.6
119.04926	2.2
119.08565	34.9
121.06497	3.2
121.10126	13.7
123.04430	5.0
123.08066	2.9
123.11684	2.3
127.03901	68.8
128.06190	2.1
129.01848	4.6
129.05411	2.4
129.07007	7.0
130.07753	3.7
131.04898	8.4
131.08562	26.9
133.10106	15.7
135.04393	33.6
136.04684	3.2
137.02490	2.2
137.05974	4.8
139.03893	45.7
141.06938	3.6
143.08594	10.9
144.09340	3.9
145.02861	15.9
145.04951	28.8
145.10112	66.6
147.02800	3.0
147.11670	10.5
149.05998	2.7
151.03870	5.4
151.70410	1.9
153.05461	3.9
155.08575	5.2
156.09293	3.0
157.10095	12.4
159.02887	21.3
159.11690	38.6
161.09631	2.3
161.13255	51.0
163.03891	40.0
163.07578	3.4
163.11229	2.8
163.14830	3.3
164.04221	3.1
165.07077	2.6
167.07051	4.7
169.10135	5.4
171.11729	5.4
173.13194	10.4
175.14915	2.1
177.05447	26.2
181.04930	39.5
181.06410	4.0
181.10216	2.6
183.11670	5.2
185.13263	6.2
187.03880	4.3
187.14742	8.9
189.03891	3.5
189.16313	2.2
193.06490	2.5
195.11667	2.5
196.12350	2.2
197.13197	3.0
199.14822	10.8
201.12627	2.8
201.16364	78.7
202.16693	2.0
203.03389	6.5
203.17929	18.3
211.14919	3.0
213.01991	4.1
213.03995	6.3
213.16351	9.7
215.17894	2.7
217.15848	7.7
219.10010	2.9
219.17400	20.4
221.06050	6.1
223.14798	2.5
225.16383	6.6
225.22462	2.2
229.15858	3.8
231.02878	4.0
231.05000	18.9
231.17369	6.5
238.06264	5.0
241.15819	2.6
243.17343	5.3
249.05528	12.7
250.06155	5.3
253.08618	2.8
253.15813	2.4
255.17282	2.4
261.18378	2.5
263.07077	3.5
266.05676	4.5
267.17416	2.3
273.05856	2.7
277.04849	18.8
278.05551	3.2
281.08115	3.9
281.18994	2.8
285.18347	3.7
291.06717	2.6
293.08279	2.5
294.05103	10.4
295.05905	8.9
309.07504	28.3
309.18390	4.4
319.06183	2.7
327.08704	4.3
327.19519	5.7
337.07001	90.4
338.07263	4.6
341.06567	2.1
345.20615	2.2
355.08090	6.3
391.17505	2.6
431.20435	10.6
449.16168	1.9
449.21478	12.8
467.22937	3.3
507.13043	2.4
535.12219	9.1
614.64972	2.2
743.41278	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34809	1.0
59.97783	1.1
65.03937	1.1
69.22730	6.1
80.73640	0.9
81.03429	0.9
86.27913	0.9
91.05477	1.4
107.04985	1.0
111.04454	2.3
123.04413	8.6
124.04765	1.8
125.05940	1.3
131.04921	0.9
134.03668	1.8
136.04752	1.0
137.02353	1.2
137.06021	1.6
139.03871	2.4
140.04430	1.4
147.04491	1.1
151.03876	1.8
151.05084	1.0
153.05452	23.7
154.05826	7.9
159.04501	1.0
163.03893	21.2
163.05116	1.3
163.91156	1.0
164.04207	5.9
185.04236	2.7
185.05823	2.9
187.03877	1.3
191.03313	7.2
192.03757	4.1
205.06541	1.8
209.04510	3.9
210.04749	2.6
222.58574	1.1
226.22925	1.1
232.51057	0.9
233.58661	0.9
249.05600	1.4
250.05739	1.4
251.07095	1.3
252.07416	1.4
279.06558	2.3
280.06982	1.3
295.06067	2.9
296.06445	1.5
298.07959	1.8
299.08716	1.1
315.08768	4.5
316.09097	3.8
332.13470	1.1
341.06427	1.5
342.07001	1.8
343.08096	1.9
379.19995	1.0
381.35776	1.0
395.11053	3.3
410.13327	10.8
427.66211	1.1
658.16248	2.3
689.25970	5.1
701.15387	1.4
702.15277	34.1
703.15155	2.1
751.25604	100.0
752.26276	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	752.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01871	11.2
55.05504	11.1
57.03434	3.1
62.80850	1.5
65.03941	1.5
67.05500	23.9
69.03418	1.6
69.07059	15.2
69.57400	1.4
79.05489	32.0
81.03417	6.7
81.07052	30.7
83.04975	8.4
83.08612	4.2
86.40173	1.3
91.05477	35.4
91.06052	2.0
93.07030	25.9
95.01323	4.4
95.04962	11.2
95.08602	15.4
97.06524	19.3
97.10159	1.6
103.05480	1.7
105.04526	2.1
105.07023	41.8
106.07392	1.6
107.04943	11.3
107.08588	10.1
109.06523	3.8
109.10131	6.5
113.28799	1.3
113.59508	1.3
117.07014	7.3
119.08572	24.1
121.06474	2.7
121.10152	3.3
123.08125	2.9
123.11770	1.4
129.07018	6.2
131.08559	9.7
133.10118	19.0
135.08098	1.6
135.11694	3.5
143.08571	3.6
145.10120	11.6
147.11688	13.8
149.09634	5.0
151.11148	1.6
155.08517	2.1
159.11710	5.7
161.13196	3.5
163.11147	1.8
165.09190	1.8
171.11679	6.5
171.46651	1.4
173.13187	2.4
179.14296	5.3
184.07083	1.9
187.11195	1.6
189.12727	3.5
207.13820	5.5
229.19745	1.4
237.14389	1.4
257.18881	2.6
259.20508	1.9
275.20023	46.0
276.20273	1.9
279.15860	3.7
281.17477	30.7
287.20712	1.4
349.23685	17.4
528.23981	1.5
528.33319	1.4
537.35480	2.3
555.36761	100.0
556.37207	7.6
752.38733	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55125	0.5
69.08076	4.1
85.02883	0.8
91.86037	0.5
99.04434	0.6
117.68863	0.5
127.03902	0.7
142.96510	0.6
153.05420	0.7
165.56274	0.5
172.71318	0.5
183.06514	1.5
203.03154	1.1
203.68065	0.5
205.04710	100.0
206.05081	2.4
231.02570	0.9
273.05951	0.6
275.07977	0.6
303.06143	1.2
304.07098	1.1
319.05579	0.6
337.06778	1.2
363.04520	1.0
367.07837	10.4
381.05716	1.3
455.11148	2.7
476.92130	0.7
499.09802	3.0
527.09491	47.8
528.09930	2.9
532.00488	0.6
543.08636	2.6
553.07050	1.1
571.08447	22.5
572.08276	2.1
704.15613	0.9
709.25391	0.7
753.14233	14.8
754.14392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
67.97642	0.6
71.18875	0.8
76.22681	0.6
100.85213	0.6
103.91477	0.5
121.02874	1.0
127.03931	0.8
149.72118	0.6
163.03888	0.8
183.06548	1.6
203.03136	1.4
205.04710	100.0
206.05042	1.8
246.07182	0.8
254.17323	0.6
264.55103	0.8
303.06293	0.7
304.07251	0.9
333.32483	0.6
362.03815	0.8
363.04523	1.2
367.07874	13.6
381.05862	1.0
426.45981	0.6
455.10864	2.3
499.09991	2.3
527.09460	39.7
528.09637	2.6
543.08643	1.8
553.07672	1.3
571.08435	20.8
572.08453	2.2
709.26074	1.0
753.14166	15.2
753.26257	2.2
754.13629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88746	0.4
57.92587	0.4
60.61847	0.5
67.05489	0.7
68.81738	0.4
69.03390	0.5
81.03407	0.6
81.07061	0.9
85.02898	1.5
87.00852	0.5
91.05480	1.1
93.07059	1.0
95.08617	0.5
98.23450	1.1
105.07040	1.2
108.79781	0.5
109.10190	0.7
111.04453	1.1
119.04945	0.7
119.08566	0.4
119.99179	0.4
121.10172	0.6
125.05980	1.2
127.03915	1.1
131.04965	0.7
135.04472	0.6
137.06000	1.4
139.03873	0.6
145.02934	0.5
147.04419	0.8
147.11729	0.9
151.03893	0.7
153.05525	0.9
161.06001	0.6
163.03952	1.3
165.32385	0.4
175.03647	0.6
176.04433	0.5
177.05513	0.8
181.04916	0.5
185.04221	1.5
185.05792	1.6
202.06035	1.2
203.06609	0.6
204.18309	0.5
214.68707	0.4
219.10117	0.5
227.91359	0.5
228.80925	0.4
237.09247	0.5
311.50864	0.6
363.12021	1.6
364.12756	0.6
365.13739	0.9
367.11584	1.6
379.11423	3.0
381.13126	2.4
382.13803	4.4
383.14594	1.1
394.13864	5.9
397.12564	7.6
411.14450	1.5
412.14899	15.0
413.15491	1.9
520.57153	0.6
573.21112	2.9
609.23016	1.6
691.27332	12.2
692.27167	0.7
693.25281	0.7
735.26166	1.4
753.27142	100.0
754.27783	8.5
756.91382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
54.91949	0.5
55.01862	2.6
55.05507	7.4
57.03436	3.7
57.07063	2.2
60.79633	0.5
61.02914	2.2
64.78640	0.5
65.03933	1.2
67.05163	0.9
67.05497	11.7
67.75298	0.5
68.99773	1.8
69.03425	26.2
69.07066	8.4
69.87172	2.1
71.04984	2.9
73.02909	2.0
77.03889	0.8
79.05487	11.3
81.03414	13.9
81.07053	23.8
83.04974	7.5
83.08628	4.0
85.02897	26.0
85.06526	0.9
87.00828	11.2
91.03960	1.1
91.04936	1.2
91.05476	17.1
93.07037	27.3
95.04961	12.2
95.05526	1.1
95.08597	36.3
97.02885	12.6
97.03498	1.2
97.06559	3.0
97.10172	2.0
99.04449	10.0
103.05429	1.3
104.65401	0.6
105.01861	8.1
105.04517	1.3
105.07022	36.3
107.08588	33.5
108.08908	0.8
109.02875	9.8
109.06506	4.5
109.10154	18.0
109.10886	1.3
110.10509	0.7
110.41676	0.6
111.04430	11.8
111.08073	1.6
111.11693	0.7
113.06091	0.8
115.05459	1.5
116.06212	0.8
117.01850	1.2
117.06287	0.7
117.07034	7.1
119.08570	57.6
120.08877	1.1
121.06506	2.5
121.10135	27.6
123.08055	3.2
123.11714	5.3
125.05992	0.9
127.03903	19.3
127.07583	0.6
128.06207	1.3
129.01819	0.9
129.05464	1.0
129.07002	4.7
130.07811	1.0
131.08556	25.3
133.06496	1.0
133.10120	33.7
135.08057	3.0
135.11682	10.3
137.09570	1.3
137.13240	1.7
139.07521	1.4
141.07007	1.8
142.07794	3.4
143.08560	13.3
144.09325	2.2
145.04951	4.1
145.06499	0.6
145.10110	33.4
146.10835	0.6
147.02895	1.0
147.08020	4.3
147.11673	27.5
147.73322	0.6
148.11995	0.8
149.09575	5.1
149.13243	11.2
151.07658	0.7
151.11200	1.6
152.51018	0.7
153.05473	2.6
153.09085	3.1
155.08531	3.7
156.09386	3.0
157.10114	17.7
158.10826	1.3
159.02863	3.9
159.08110	1.0
159.11685	21.3
160.12253	1.0
161.09607	6.8
161.13239	21.5
163.11220	1.9
163.14803	13.5
165.09096	1.2
165.12802	0.9
167.10713	1.7
168.09390	1.2
169.10106	4.2
170.10942	1.4
171.11658	11.2
172.12500	1.0
173.09663	1.5
173.13242	23.7
174.13809	0.8
175.11197	2.9
175.14798	24.8
177.05423	1.7
177.09138	0.7
177.12636	0.8
177.16360	13.6
179.10709	1.0
181.10080	1.1
182.10916	0.9
183.11646	4.5
184.12410	1.2
185.09714	0.7
185.13254	12.6
185.14908	0.8
186.13972	1.1
187.11235	1.5
187.14795	31.4
188.15074	1.0
189.12749	6.5
189.16368	35.9
191.14304	15.0
191.17946	5.9
193.10223	0.8
193.12125	1.5
193.15866	0.9
195.03023	0.8
195.11647	1.5
197.13203	4.5
199.14804	16.7
199.16650	0.8
201.12758	2.9
201.16367	27.1
203.14304	24.5
203.17918	40.0
204.14551	0.9
204.18376	1.4
205.15857	4.2
205.19542	1.7
207.13820	2.3
207.17453	1.7
211.14752	3.2
213.03894	2.6
213.12895	0.7
213.16371	10.7
214.16962	1.1
215.14345	6.3
215.17911	12.6
217.15866	11.3
217.19400	3.8
219.13866	2.2
219.17436	2.4
221.15355	16.1
221.18794	1.4
223.14758	1.5
225.16347	2.2
227.17900	4.2
229.15845	3.9
229.19502	2.2
231.04941	3.1
231.08618	3.7
231.17447	3.7
233.15245	3.8
235.16916	6.9
239.17982	2.8
241.19504	2.9
243.17467	1.8
243.21152	2.4
245.15399	0.8
247.16898	5.2
249.18478	10.0
251.18066	0.9
253.19528	2.0
255.21007	2.4
257.19263	0.9
257.22366	0.8
259.16879	2.4
261.18481	3.7
265.19330	0.9
267.20996	3.1
269.22614	1.1
273.18384	0.8
281.22571	1.0
309.25708	1.2
325.28876	1.3
339.10519	0.9
349.28922	1.8
355.26309	1.8
371.29507	2.7
375.30405	1.8
377.32019	1.1
387.30371	3.2
393.31662	3.6
395.29300	4.5
405.26248	1.0
405.31479	13.1
406.31680	0.9
407.33246	4.8
421.30728	3.6
423.32547	14.0
424.32599	0.9
425.34109	2.7
433.30966	5.6
435.32623	1.1
439.32031	20.8
440.32388	1.7
441.33786	3.6
451.32019	18.8
452.32361	1.4
453.33514	2.5
459.34787	0.9
469.33087	100.0
470.33362	7.2
487.34064	7.7
615.39172	0.8
699.36200	0.7
717.38647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01870	1.2
55.05506	3.4
57.03422	1.5
61.02916	0.7
65.03952	0.5
67.05501	4.5
68.64266	0.5
69.03425	15.0
69.07063	4.4
70.54606	1.2
71.04984	1.1
77.03891	0.7
77.39708	0.6
79.05486	5.5
81.03409	6.4
81.07044	11.4
83.04974	2.2
83.08604	1.8
85.02399	1.1
85.02898	12.9
87.00826	6.6
91.05462	7.5
93.07033	13.4
95.04967	7.4
95.08597	19.9
97.02892	4.1
97.06528	1.8
97.10173	0.9
99.04430	4.3
102.66171	0.5
103.05453	0.7
105.01873	4.4
105.07024	18.2
105.07741	1.2
107.08588	17.7
107.41160	0.6
107.84469	0.6
108.08878	0.6
109.02874	5.7
109.06506	2.0
109.10144	9.0
111.04453	1.1
111.08079	0.7
115.05433	1.0
117.06976	3.5
119.08569	28.6
120.08908	0.6
121.06489	2.0
121.09274	1.1
121.10133	13.5
123.08051	2.6
123.11696	2.8
123.12847	0.5
125.06014	0.5
125.09614	0.9
127.03899	8.0
128.06215	0.9
129.06984	2.6
130.07584	0.5
131.08553	11.9
133.10117	20.5
135.04417	0.8
135.08058	1.3
135.11667	5.4
137.09587	0.9
137.13271	1.3
139.07478	0.8
141.07019	0.9
142.07756	1.8
143.08556	6.7
144.09325	1.1
145.04980	1.8
145.10109	17.7
147.08037	2.4
147.11668	11.7
149.09619	2.1
149.13234	5.1
151.11235	0.9
153.09100	1.8
153.34724	0.6
155.08519	1.9
156.09393	1.4
157.10114	9.8
158.10938	0.8
159.02881	1.5
159.11684	13.1
159.12956	1.0
161.09601	1.8
161.13235	11.2
162.13582	0.6
163.03897	1.5
163.07515	0.6
163.11206	1.2
163.14809	7.0
169.10117	2.3
170.10870	1.2
171.11661	7.1
173.09557	0.7
173.13246	9.8
175.11205	1.6
175.14825	9.8
176.15121	0.6
177.05415	0.8
177.16403	4.3
179.10646	1.4
182.10902	0.6
183.11710	2.3
184.12508	1.2
185.13255	4.4
186.14021	0.6
187.14793	16.5
188.15118	0.7
189.12772	3.1
189.16368	21.6
191.14305	3.5
191.17958	2.3
195.11710	0.9
197.13216	1.8
199.14801	10.6
201.12703	1.0
201.16357	14.9
203.14310	8.7
203.17915	11.7
205.04710	0.7
205.15913	2.2
207.13766	1.5
207.17442	0.9
211.14809	2.1
213.03998	1.4
213.16371	6.0
215.14363	3.8
215.17888	8.6
217.15845	9.9
217.19432	0.9
219.13745	0.9
219.17429	1.2
221.15329	5.8
225.12976	0.6
225.16382	1.7
227.17975	1.8
229.15935	1.7
229.19504	1.4
231.04974	2.1
231.17468	2.3
233.15326	2.3
235.16907	6.6
239.17937	1.0
241.19443	2.8
242.72520	0.5
243.17410	0.8
243.21040	1.3
247.16895	5.4
249.18460	3.4
253.19446	1.4
255.21025	1.7
259.16937	0.7
261.18555	2.6
267.21265	1.0
301.07385	0.6
301.21851	0.9
325.28906	1.5
329.24597	0.9
355.26474	0.7
371.29437	2.4
375.30377	1.1
387.30475	2.3
393.31512	1.5
395.29306	2.8
405.31467	9.0
406.31754	0.8
407.33020	1.3
415.64236	0.6
421.30948	1.7
423.32507	10.8
424.33176	0.9
425.34143	1.1
433.30856	3.2
439.32086	14.2
440.32379	1.0
441.33975	0.7
451.32040	13.0
452.32739	1.2
453.33597	0.8
469.33078	100.0
470.33429	6.4
487.34073	6.7
511.34225	0.7
677.23444	0.7
699.36682	0.8
753.26440	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
65.03930	9.5
69.43473	0.7
71.05481	1.0
77.03924	1.1
79.05486	1.5
89.03915	3.1
91.05470	8.5
93.03395	15.2
95.04954	0.8
103.05413	0.9
107.04950	12.7
111.04433	48.6
117.03364	2.9
119.04912	3.7
123.04421	1.6
131.04922	1.7
133.02853	1.5
135.04402	50.0
136.04698	1.1
137.02361	3.6
137.05984	3.0
139.03888	100.0
140.04214	1.7
141.06934	0.9
145.02856	3.8
147.04407	4.2
151.03868	0.9
153.05469	1.7
157.02831	1.2
159.04356	1.0
163.03893	63.0
165.06982	8.8
167.08582	2.9
169.06456	3.8
175.03888	23.1
176.04216	0.9
177.06984	1.7
181.04948	66.5
182.05258	1.4
183.08128	1.2
187.03917	1.4
193.06490	7.1
195.08037	3.4
197.05971	7.2
199.07555	1.9
203.03406	1.4
205.06471	2.5
211.07579	5.1
213.09109	2.6
215.06995	1.4
221.05952	23.4
222.06378	1.1
223.07507	3.3
225.05524	2.5
231.02852	1.8
233.05969	1.7
239.06987	25.6
240.07430	1.4
241.08577	2.9
249.05484	23.7
250.06035	1.3
251.07001	2.6
267.06516	27.2
268.07080	1.0
269.08093	1.3
277.04922	14.5
278.05161	1.2
279.06512	4.2
285.07510	10.3
294.05161	0.8
295.06003	44.5
296.06204	2.1
297.07532	1.1
305.04364	3.3
313.07010	6.3
323.05469	95.7
324.05881	4.4
341.06613	7.0
465.11685	5.6
493.11093	2.3
521.10785	1.9
614.98969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35753	0.5
55.01878	0.5
63.02357	0.7
65.03935	9.1
66.88408	0.5
69.26493	2.8
79.05479	2.0
89.03894	1.5
91.05467	7.4
93.03394	14.6
94.06651	0.5
95.04932	1.0
103.05441	0.8
107.04937	11.5
111.04432	48.8
112.04756	0.7
117.03373	1.2
119.04949	2.5
123.04420	1.4
126.85872	0.5
131.04906	1.8
135.04401	46.6
136.04739	1.1
137.02377	2.5
137.05940	2.6
139.03883	100.0
140.04234	2.1
145.02802	0.7
146.55403	0.5
147.04399	1.0
153.05470	3.3
159.04347	1.3
159.25609	0.5
163.03883	26.1
164.04268	0.5
165.06984	4.0
167.08583	1.7
169.06464	1.1
175.03943	1.2
177.06894	0.8
178.07735	0.5
179.03377	0.9
181.04936	89.9
182.05273	2.0
187.03870	5.5
193.06474	3.4
195.08020	3.6
197.05988	3.2
199.05942	0.7
199.07492	2.5
203.03413	3.0
205.04814	0.7
205.06490	3.2
211.07530	2.7
213.01848	1.7
213.09010	1.7
221.05989	8.3
223.07494	6.5
225.05447	4.4
225.38000	0.5
227.07025	0.7
231.02831	3.0
233.05974	2.7
234.11784	0.5
239.06975	12.1
241.08578	4.5
243.06479	4.0
249.05469	12.4
250.05870	0.8
251.06996	5.7
252.04436	0.6
253.04898	3.6
253.08623	0.5
255.06508	2.0
257.08057	0.6
263.63394	0.5
267.06488	20.4
268.06873	1.3
269.08002	5.5
270.80774	0.6
271.05957	2.6
277.04941	8.3
278.05579	1.0
279.06467	3.8
280.06857	0.6
281.04465	2.8
285.07532	5.3
295.05969	29.2
296.06351	1.1
297.07520	5.1
299.05441	0.6
305.04370	2.2
313.07053	8.5
323.05444	37.7
324.05814	2.0
325.07172	0.7
331.08249	0.7
341.06479	13.3
342.06735	0.7
359.07529	1.0
365.06363	1.3
383.07693	0.9
391.11877	0.6
411.07144	1.1
447.10614	1.4
465.11661	1.0
493.11096	5.3
507.35355	0.5
521.10736	16.2
521.18542	0.9
522.10858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82697	0.9
60.19484	1.1
65.03938	9.6
69.60765	3.5
70.67680	0.8
79.05500	1.5
86.36370	0.9
89.03915	2.5
91.05477	6.9
93.03396	17.0
99.94307	0.8
106.33904	0.9
107.04951	15.6
111.04436	51.8
112.04745	1.0
117.03380	1.8
119.04936	3.0
131.04907	1.4
135.04404	53.5
137.02316	4.0
137.05994	3.9
139.03889	100.0
140.04250	2.5
140.28825	0.8
141.07040	1.0
145.02859	1.8
153.05464	2.7
163.03894	31.4
165.06984	6.5
169.06493	1.9
175.03917	1.5
181.04944	86.4
187.03909	2.8
193.06487	7.1
197.05971	3.2
203.03410	6.5
205.06458	3.5
209.04391	1.5
211.07594	3.0
213.01782	4.2
221.05948	15.5
223.07574	5.6
225.05504	6.9
231.02812	9.5
233.05949	2.5
238.61208	0.9
239.07021	8.7
241.08636	1.9
249.05466	30.3
250.06053	2.7
251.07024	4.4
252.04115	2.2
253.04973	8.6
255.06512	3.9
256.07397	1.0
267.06491	13.3
269.08276	0.9
277.04926	21.3
278.05573	2.4
279.06516	6.0
281.04401	7.2
285.07452	1.7
295.05981	57.7
296.06274	2.4
297.07611	4.8
305.04501	2.0
305.46509	1.1
313.06918	4.5
323.05460	95.9
324.05838	3.0
324.19113	1.0
325.07080	2.2
341.06567	16.1
365.06454	2.5
411.07077	3.4
447.10764	1.3
457.08643	1.4
465.11542	1.4
475.10809	1.2
493.11285	10.8
503.09109	1.2
521.10748	31.5
522.10803	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05506	5.3
56.36453	0.4
57.03439	1.2
61.02921	1.1
62.96075	0.3
67.05501	2.5
67.73717	0.4
69.03429	1.0
69.17583	2.2
71.04984	0.9
78.19402	0.4
81.03412	1.2
81.07055	1.0
83.04974	45.4
84.05323	0.6
85.02897	100.0
86.03205	0.5
87.00800	0.5
87.04472	1.3
89.03935	0.6
91.05467	0.9
93.07047	1.0
95.08609	1.1
97.02882	1.4
98.23434	0.9
99.04485	0.6
101.05968	0.5
105.07010	1.3
107.08588	1.2
108.04419	0.5
109.02844	2.1
109.10143	0.8
111.04434	27.7
113.06020	0.6
117.03355	3.1
119.08540	1.3
121.10129	1.5
123.11683	0.5
125.09581	0.6
127.03904	7.7
129.05467	15.4
131.08534	0.7
133.10126	1.6
143.08507	0.6
145.02835	11.4
145.04904	0.7
145.10114	1.8
147.11667	1.0
149.05968	1.1
149.13249	0.5
151.07463	0.6
159.11618	0.5
161.13242	0.8
169.04958	0.5
171.06508	85.8
172.06865	1.3
173.13217	1.0
175.14822	1.4
177.05460	29.4
177.16400	1.0
185.13263	0.8
187.14809	2.5
189.07564	25.7
189.16388	1.1
190.07896	0.6
191.14333	0.7
191.17804	0.7
199.14764	0.5
201.16379	1.2
203.17885	1.2
205.15834	3.7
213.16293	1.1
215.17998	0.8
219.17313	0.5
231.92859	0.4
249.18365	0.4
259.09564	1.1
261.18350	0.4
381.07230	0.5
381.11792	7.8
407.32813	1.3
409.34525	0.4
425.34256	0.6
435.32379	0.7
453.33737	2.9
569.18146	1.5
606.38129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
54.44638	0.5
55.05507	6.2
57.03435	1.9
58.40884	0.5
61.02930	0.7
65.03928	0.6
67.05506	3.1
69.12119	1.0
69.12530	2.5
83.04979	45.5
85.02902	100.0
86.03235	0.7
95.08569	0.6
97.02870	1.0
99.04452	0.5
105.07009	0.6
107.08572	0.7
111.04440	22.9
117.03390	1.7
119.08556	0.9
127.03919	5.1
129.05481	12.4
145.02846	6.6
147.11671	0.8
157.32962	0.5
159.11732	1.0
171.06523	94.7
172.06854	1.8
177.05464	19.3
187.14810	1.0
201.16345	0.6
205.15848	1.8
217.21979	0.6
231.08626	11.7
258.99957	0.6
335.37881	0.5
339.10724	3.8
407.33270	0.9
453.33524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.6
53.04180	3.6
53.78308	3.2
55.01854	10.6
55.05510	9.0
57.03425	4.7
58.08841	3.3
61.02917	8.6
62.51160	3.0
65.03926	3.5
67.05500	16.4
67.82343	3.2
69.03419	16.1
69.07069	18.5
71.04974	5.9
73.02888	9.7
79.05485	15.1
81.03412	35.7
81.07053	38.4
83.05005	8.2
83.08622	9.4
85.02905	54.2
87.00821	29.0
89.49356	3.9
91.05478	16.3
93.07034	24.6
95.04948	8.1
95.08595	65.6
97.02874	30.0
97.10152	5.0
99.04438	13.3
100.34363	4.3
105.01846	17.9
105.07025	55.0
107.04966	5.2
107.08580	50.7
108.04461	5.2
109.02885	28.2
109.10152	34.6
111.04424	8.7
111.08053	4.4
117.01843	4.2
117.06985	8.3
118.01470	3.4
119.08569	57.5
121.06521	4.6
121.10120	42.3
123.08084	7.6
123.11687	16.6
125.09583	11.1
127.03909	38.8
131.08578	24.1
133.10124	45.8
135.04306	3.5
135.11659	24.6
137.09627	4.1
143.08572	5.3
145.04926	17.8
145.10117	39.8
147.11646	26.7
149.09624	4.2
149.13202	17.6
153.09074	4.3
157.10112	13.5
159.02873	15.2
159.11694	28.0
161.13231	27.6
163.11096	6.4
163.14786	29.4
169.10065	4.4
171.06573	5.5
171.11641	10.6
173.13251	31.1
175.14801	29.8
177.05420	6.2
177.12810	3.9
177.16362	54.1
185.13258	9.0
187.14775	68.3
189.16376	48.9
191.14255	19.0
191.17941	15.9
199.14833	15.5
201.16374	50.5
203.14265	10.5
203.17920	63.2
205.15863	91.5
205.19536	4.9
206.16074	4.7
213.03905	5.6
213.16351	16.8
215.17874	17.0
217.15842	9.8
217.19441	8.4
219.17360	14.8
221.15506	6.9
227.17880	5.3
229.19392	3.9
231.04909	8.0
231.17433	7.1
235.16890	7.9
241.19576	4.4
247.16913	5.6
249.18489	10.7
261.18442	5.1
267.15976	6.6
267.21078	4.6
334.71490	4.1
341.24478	4.7
379.33521	7.5
389.31985	10.4
395.32999	7.7
407.32977	62.9
408.33075	5.3
409.34714	17.3
423.32422	6.2
425.34088	40.9
435.32605	29.6
441.33514	10.3
443.35025	16.0
453.33630	100.0
454.33728	8.6
457.26022	5.6
471.34863	26.6
475.26666	10.5
489.35339	11.4
507.29056	6.0
622.72839	3.8
754.54071	7.5
787.08899	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	754.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
53.94044	1.1
55.01863	1.4
55.05505	9.7
57.03420	3.4
57.07065	1.2
61.02909	2.0
65.53261	1.0
67.05495	8.2
68.29138	1.0
69.03423	8.3
69.07063	4.9
69.38425	1.0
70.66542	1.8
71.04973	1.5
73.02895	1.4
79.05474	4.3
81.03416	7.3
81.07050	13.4
83.04976	39.6
83.08611	4.6
85.02896	100.0
86.03232	1.7
87.00817	5.8
91.05461	5.6
93.07042	10.9
95.04978	1.3
95.08589	22.4
97.02901	7.3
97.10110	2.3
99.04461	2.6
105.01843	8.9
105.07017	16.6
107.04952	1.7
107.08579	24.3
109.02855	8.1
109.06464	1.9
109.10143	13.2
111.04431	22.2
111.08069	1.8
117.03345	2.0
117.07026	1.8
119.08575	23.4
121.10121	21.3
123.11700	5.6
125.09608	1.3
127.03905	17.9
129.05466	12.4
130.07780	1.3
131.08543	11.4
133.10126	17.4
135.07997	2.3
135.11661	10.5
137.09579	1.3
137.13174	1.4
139.03859	1.9
143.08516	2.3
145.02861	5.5
145.04936	3.8
145.10115	22.8
147.11667	18.5
149.06049	1.2
149.09586	1.6
149.13226	7.5
157.10101	5.1
158.10881	1.3
159.02875	2.2
159.11661	19.3
161.13255	10.6
163.11180	6.7
163.14830	13.5
167.52484	1.1
171.06506	83.4
171.11618	5.3
172.06927	1.3
172.12492	1.7
173.04474	1.2
173.13301	9.8
175.14801	11.5
177.05453	13.5
177.12741	2.7
177.16365	15.3
179.14319	1.2
184.15265	1.2
185.13246	5.7
187.14799	28.7
189.07565	9.7
189.16356	26.6
191.14287	2.5
191.17918	4.5
195.13788	1.2
199.14809	4.5
201.16344	44.1
203.14348	1.1
203.17937	8.3
205.13913	2.6
205.15855	49.1
206.16248	1.8
207.17424	15.2
211.14763	1.4
213.04015	2.0
213.16321	4.2
215.17892	7.5
217.15839	1.4
219.17444	10.1
223.16904	11.2
227.17897	2.7
229.19505	2.9
231.04932	3.7
231.08647	4.7
231.17400	1.7
233.18948	1.3
241.19484	16.3
247.16925	7.0
249.06003	1.4
250.44502	1.2
253.19409	1.2
255.21114	2.7
287.20053	2.7
294.68774	1.1
311.61603	1.2
379.33447	1.4
389.32062	7.8
407.33047	33.0
407.61353	1.2
408.33054	2.2
409.34497	1.4
423.32745	1.2
425.34097	55.7
426.34274	2.6
435.32474	6.3
443.35147	20.4
453.33508	10.1
471.34650	9.3
489.35822	6.9
719.39471	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	754.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.05498	12.2
57.07059	4.4
61.02904	2.7
65.03933	1.7
67.05495	12.6
69.03418	7.2
69.07062	9.9
70.94911	1.4
71.04974	2.7
73.02917	1.3
77.03914	1.7
79.05489	10.9
81.03404	3.2
81.07050	33.4
81.68984	1.0
83.04973	41.4
83.08615	7.6
85.02892	15.5
91.05466	19.7
92.86292	1.1
93.07034	31.3
95.04942	3.6
95.08596	56.3
97.02866	7.1
97.06474	1.3
97.10154	3.8
105.01823	1.2
105.07021	41.2
107.08585	51.0
109.06519	4.5
109.10155	34.1
111.03659	1.9
111.04430	33.2
111.08067	6.5
115.05452	1.6
117.03360	1.8
117.07034	7.3
119.08572	62.2
121.06477	1.7
121.10131	36.7
123.08056	3.7
123.11690	11.9
125.09637	9.2
127.03900	3.2
128.06172	2.2
129.05501	1.8
129.07021	2.8
131.08562	27.5
133.10121	47.4
134.10425	1.4
135.08029	2.4
135.11676	17.9
137.05992	1.4
137.09605	3.3
137.13249	2.1
139.11172	1.5
139.26932	1.1
141.06927	1.6
143.08551	11.1
144.09271	1.8
145.02844	3.8
145.04939	3.4
145.08966	2.5
145.10118	51.4
147.11665	28.5
149.09593	4.1
149.13264	19.0
151.11172	4.0
153.05467	2.9
153.09102	3.3
155.08575	2.5
156.09363	1.3
157.10110	13.1
158.10899	2.4
159.11685	38.7
161.09619	2.5
161.13249	18.3
162.07635	2.0
163.03952	1.3
163.11188	2.6
163.14790	18.1
167.06993	3.4
169.10124	3.7
170.10916	1.5
171.06506	8.2
171.11658	9.0
172.12396	2.1
173.13249	29.5
175.14806	25.6
177.05447	10.7
177.12770	4.7
177.16360	41.8
183.11711	3.5
185.13268	10.2
186.13908	1.3
187.14801	64.2
188.15170	1.6
189.16364	49.9
190.16692	2.2
191.14310	11.1
191.17909	12.3
193.15845	2.2
197.13220	3.6
199.14798	16.2
201.16367	56.5
202.16684	1.8
203.14342	10.0
203.17937	35.3
204.18242	1.3
205.15849	28.1
205.19444	2.1
206.16209	1.7
207.17430	3.9
209.13124	1.5
211.14735	3.6
213.16348	29.9
215.14471	2.7
215.17926	26.0
217.15858	10.9
217.19424	8.9
219.14018	1.5
219.17438	26.6
220.17786	1.3
221.15338	5.1
223.14696	1.9
225.16302	3.2
227.17928	5.3
229.15884	3.3
229.19493	3.8
231.08696	8.3
231.17445	5.7
231.20934	1.4
233.15294	1.5
233.19022	7.0
235.16898	22.7
239.17897	2.8
241.19545	8.2
243.17422	1.7
243.20979	5.5
245.19118	1.5
247.16908	14.2
249.18445	7.9
251.18008	1.7
253.19414	2.6
255.21056	4.2
257.22614	1.3
259.20520	1.3
261.18503	8.5
265.19644	1.7
267.21075	8.1
269.22620	2.5
281.22592	2.5
283.24155	1.9
291.15875	1.4
297.21768	1.2
307.24228	1.4
319.24088	1.7
324.11145	1.3
339.10864	1.7
369.14786	1.1
379.33609	5.9
389.32004	17.7
407.33044	100.0
408.33423	8.1
409.34656	20.7
410.34723	1.3
417.15466	1.5
425.34158	7.3
435.32529	37.9
436.32837	4.0
453.33618	64.6
454.33984	5.7
511.34290	7.8
529.34998	4.2
539.33435	2.5
615.38916	34.6
616.38837	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01867	3.7
55.05505	8.0
57.03434	3.5
59.21850	0.8
61.02922	2.7
65.03945	1.9
67.05492	4.5
68.99789	1.2
69.03426	11.6
69.07055	2.5
71.04993	13.0
73.02903	2.6
75.04476	1.1
79.05489	2.3
81.03417	13.4
81.07059	5.3
83.04978	46.5
83.08616	2.8
85.02900	100.0
86.03181	1.0
86.80853	1.1
87.00835	10.7
87.04468	2.6
89.03941	1.1
91.05486	3.2
93.07050	5.4
95.08603	10.2
97.02892	10.7
97.10210	0.9
99.04440	5.2
105.01855	8.1
105.07016	8.7
107.08585	12.3
108.04456	2.2
109.02879	13.0
109.10158	6.8
111.04436	31.7
113.06008	4.1
115.03929	2.3
116.48676	1.2
117.01867	2.0
117.03371	5.6
117.05459	2.0
117.07021	1.0
119.08586	14.7
121.10147	11.2
123.08081	1.3
123.11693	2.7
126.05544	1.2
127.03905	21.2
129.01825	1.6
129.05475	25.3
131.08549	7.0
133.10129	12.9
135.11687	4.8
145.02835	19.3
145.04947	9.5
145.10106	12.7
146.03294	1.2
147.11685	9.6
149.05986	2.3
149.13271	4.0
151.07550	1.7
159.02908	4.1
159.11681	9.0
161.13229	8.8
163.11177	6.6
163.14822	7.4
170.83577	1.1
171.06519	90.9
172.06850	2.8
173.13286	4.1
175.14807	9.7
177.05464	53.9
177.12711	1.4
177.16353	10.4
178.05826	1.7
179.07019	1.3
179.14305	2.2
185.13268	1.9
187.14804	16.5
189.07562	12.8
189.16382	14.3
191.17934	4.7
199.14787	1.8
201.16377	34.4
202.16833	1.8
203.17935	15.3
205.15868	43.8
206.16159	1.3
207.17442	5.9
213.03822	1.2
213.16403	3.2
215.17923	2.6
219.17479	5.3
223.16946	5.1
227.17987	1.2
231.05014	3.6
231.08563	10.2
231.17354	1.4
247.16914	4.8
248.07675	2.1
249.18495	1.4
261.18372	1.3
277.10651	1.7
278.82898	1.3
281.35226	1.0
339.10779	3.7
366.21033	1.2
381.11792	9.8
389.31967	3.4
391.33582	1.8
407.33078	23.5
408.33057	1.4
409.34760	5.6
425.34152	16.9
426.34140	1.4
427.35895	1.6
435.32584	6.7
443.35172	2.3
444.36328	1.0
453.33591	12.1
461.61346	1.3
471.34940	5.1
567.71667	1.1
569.18555	1.5
612.05109	1.1
754.31445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01862	4.0
55.05503	6.1
57.03434	1.7
57.07066	2.0
61.02912	3.2
63.98021	1.0
67.05500	7.6
68.99782	1.4
69.03429	16.0
69.07061	7.3
69.10096	5.8
71.04986	3.1
73.02897	3.7
79.05479	7.6
81.03406	15.9
81.07058	23.1
83.04974	14.2
83.08613	4.1
85.02899	36.6
85.03417	2.2
87.00822	16.2
91.03947	1.2
91.05462	9.6
93.07040	24.9
95.04959	4.4
95.08597	39.3
97.02881	21.5
97.06524	2.2
97.10152	2.3
99.04456	6.4
99.08096	1.0
105.01851	13.3
105.04515	1.2
105.07020	27.2
107.08583	35.0
109.02873	20.1
109.06520	3.4
109.10146	21.6
111.08079	3.0
115.01646	0.9
117.01777	1.2
117.07005	2.8
118.03189	0.9
119.08569	38.9
119.09422	1.9
121.06548	1.1
121.09267	1.5
121.10126	21.2
123.08046	4.2
123.11687	7.2
125.09611	8.3
127.03909	27.0
128.06178	1.2
129.01799	1.5
129.06972	2.3
131.08549	11.2
133.10117	30.2
135.08041	1.7
135.11671	12.9
137.09570	1.6
137.13223	1.6
139.03940	1.3
139.07545	1.1
142.84880	1.0
143.08562	4.6
145.04955	8.4
145.10109	23.3
146.10382	1.1
147.02882	1.3
147.11676	33.2
147.12854	1.6
149.09608	1.7
149.13248	17.7
151.11209	1.9
153.09068	3.0
155.08463	1.5
157.10117	6.3
159.02882	8.4
159.11685	21.7
161.09613	2.6
161.13246	20.3
162.13531	1.5
163.11166	2.0
163.14822	14.5
167.10661	1.6
171.11697	4.7
173.04532	1.4
173.13251	20.3
175.11263	1.4
175.14815	30.6
176.15179	1.1
177.12729	2.2
177.16370	25.4
179.10580	1.1
183.11641	1.4
185.13153	4.7
185.68619	1.0
187.14810	31.1
189.12672	1.3
189.16365	35.1
191.14294	2.7
191.17981	7.0
193.15889	1.8
197.13194	1.2
199.14803	7.9
199.22845	1.0
200.85533	1.3
201.16367	26.1
203.14308	4.0
203.17929	50.3
204.18262	1.5
205.15869	44.6
205.19572	1.7
206.16229	1.3
207.17462	2.1
211.14848	1.7
213.03923	4.2
213.16385	10.8
215.17937	10.8
217.15877	10.7
217.19453	2.3
219.17429	4.3
221.15320	6.0
221.18878	1.3
223.16928	3.7
225.16322	1.6
227.17920	2.3
229.15840	1.1
229.19411	2.6
231.04872	6.7
231.17442	2.5
233.18968	1.6
235.16902	3.5
239.17976	1.6
241.19495	3.5
243.21072	2.0
247.16928	4.3
249.06071	1.5
249.18456	15.0
255.21178	1.4
259.16974	1.2
261.18433	4.2
267.21112	2.4
281.22595	1.5
283.24069	1.5
341.24759	2.6
349.28870	3.0
357.28177	1.5
371.29395	2.3
377.31931	1.4
379.33481	1.6
389.32053	4.9
395.29239	5.9
407.33066	30.7
408.33063	1.6
409.34641	2.0
417.31421	1.3
423.32397	3.0
425.34137	28.8
426.34674	1.6
435.32584	16.5
443.35217	6.0
453.33588	100.0
454.33987	7.8
471.34613	10.7
701.38892	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01862	4.0
55.05503	6.1
57.03434	1.7
57.07066	2.0
61.02912	3.2
63.98021	1.0
67.05500	7.6
68.99782	1.4
69.03429	16.0
69.07061	7.3
69.10096	5.8
71.04986	3.1
73.02897	3.7
79.05479	7.6
81.03406	15.9
81.07058	23.1
83.04974	14.2
83.08613	4.1
85.02899	36.6
85.03417	2.2
87.00822	16.2
91.03947	1.2
91.05462	9.6
93.07040	24.9
95.04959	4.4
95.08597	39.3
97.02881	21.5
97.06524	2.2
97.10152	2.3
99.04456	6.4
99.08096	1.0
105.01851	13.3
105.04515	1.2
105.07020	27.2
107.08583	35.0
109.02873	20.1
109.06520	3.4
109.10146	21.6
111.08079	3.0
115.01646	0.9
117.01777	1.2
117.07005	2.8
118.03189	0.9
119.08569	38.9
119.09422	1.9
121.06548	1.1
121.09267	1.5
121.10126	21.2
123.08046	4.2
123.11687	7.2
125.09611	8.3
127.03909	27.0
128.06178	1.2
129.01799	1.5
129.06972	2.3
131.08549	11.2
133.10117	30.2
135.08041	1.7
135.11671	12.9
137.09570	1.6
137.13223	1.6
139.03940	1.3
139.07545	1.1
142.84880	1.0
143.08562	4.6
145.04955	8.4
145.10109	23.3
146.10382	1.1
147.02882	1.3
147.11676	33.2
147.12854	1.6
149.09608	1.7
149.13248	17.7
151.11209	1.9
153.09068	3.0
155.08463	1.5
157.10117	6.3
159.02882	8.4
159.11685	21.7
161.09613	2.6
161.13246	20.3
162.13531	1.5
163.11166	2.0
163.14822	14.5
167.10661	1.6
171.11697	4.7
173.04532	1.4
173.13251	20.3
175.11263	1.4
175.14815	30.6
176.15179	1.1
177.12729	2.2
177.16370	25.4
179.10580	1.1
183.11641	1.4
185.13153	4.7
185.68619	1.0
187.14810	31.1
189.12672	1.3
189.16365	35.1
191.14294	2.7
191.17981	7.0
193.15889	1.8
197.13194	1.2
199.14803	7.9
199.22845	1.0
200.85533	1.3
201.16367	26.1
203.14308	4.0
203.17929	50.3
204.18262	1.5
205.15869	44.6
205.19572	1.7
206.16229	1.3
207.17462	2.1
211.14848	1.7
213.03923	4.2
213.16385	10.8
215.17937	10.8
217.15877	10.7
217.19453	2.3
219.17429	4.3
221.15320	6.0
221.18878	1.3
223.16928	3.7
225.16322	1.6
227.17920	2.3
229.15840	1.1
229.19411	2.6
231.04872	6.7
231.17442	2.5
233.18968	1.6
235.16902	3.5
239.17976	1.6
241.19495	3.5
243.21072	2.0
247.16928	4.3
249.06071	1.5
249.18456	15.0
255.21178	1.4
259.16974	1.2
261.18433	4.2
267.21112	2.4
281.22595	1.5
283.24069	1.5
341.24759	2.6
349.28870	3.0
357.28177	1.5
371.29395	2.3
377.31931	1.4
379.33481	1.6
389.32053	4.9
395.29239	5.9
407.33066	30.7
408.33063	1.6
409.34641	2.0
417.31421	1.3
423.32397	3.0
425.34137	28.8
426.34674	1.6
435.32584	16.5
443.35217	6.0
453.33588	100.0
454.33987	7.8
471.34613	10.7
701.38892	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01869	8.3
55.05508	11.6
57.03434	4.1
67.05499	20.2
69.07066	14.0
69.58587	1.1
69.65353	4.2
71.04981	2.2
79.05483	19.8
81.03415	8.5
81.07047	29.3
83.01331	1.3
83.04984	8.1
83.08626	6.8
85.02905	2.1
85.06548	1.4
86.09682	1.7
91.05477	32.3
93.07036	21.0
95.01336	4.6
95.04969	5.9
95.08594	17.5
97.02922	2.0
97.06529	11.8
97.10122	1.3
105.07021	41.0
107.04928	9.4
107.08580	12.8
109.06550	4.1
109.10140	4.8
113.09678	1.5
117.07008	8.1
119.08572	21.1
121.06512	3.5
121.10143	5.6
123.08065	3.7
129.07028	2.6
131.08553	12.6
133.10110	23.4
135.08089	1.6
135.11644	6.2
135.61087	1.2
136.61798	1.1
137.09653	1.4
143.08516	2.7
145.10129	15.5
147.08018	2.2
147.11678	6.7
149.09598	2.0
155.08560	1.8
157.10167	1.3
159.11714	4.1
161.13319	1.9
163.11174	9.2
171.11786	1.5
171.68195	1.2
173.09700	2.5
175.11063	1.8
179.14351	6.8
181.12277	1.7
184.07339	5.9
187.11203	1.5
209.11745	3.1
219.17455	2.4
245.19043	1.4
256.63129	1.3
257.19028	3.6
273.78558	1.3
275.20026	35.1
275.22940	2.4
276.20551	1.6
283.15359	23.9
291.19498	1.4
349.23727	16.8
387.84717	1.4
539.33813	1.9
557.34674	100.0
558.34888	8.6
752.87866	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.6
55.05503	10.6
57.03430	6.8
61.02901	3.9
65.93567	2.6
67.05504	23.5
69.07053	5.0
69.42931	13.2
79.04336	2.6
79.05481	20.9
81.03431	6.7
81.07052	26.0
83.01319	4.7
83.04967	4.5
83.08614	6.6
85.02892	3.9
86.09710	5.9
91.05470	11.7
93.07037	23.3
95.04964	6.5
95.08582	14.1
96.49006	2.8
97.02891	3.8
98.22601	2.5
105.07027	9.5
107.04919	6.1
107.08581	16.1
109.10149	9.6
110.42664	2.8
117.06973	4.4
119.08561	8.6
120.57352	2.6
121.10109	10.5
123.08066	5.0
123.11700	4.0
125.00016	4.6
131.08549	5.9
133.10101	6.1
135.11682	9.3
145.10103	7.8
151.85030	2.9
163.11165	10.6
173.13232	3.5
181.12292	3.0
184.07343	14.9
185.52975	3.0
209.11636	5.5
227.12753	11.4
243.21065	6.1
261.22083	17.0
265.33084	2.9
283.15375	100.0
296.25314	3.4
317.24738	3.1
333.24612	2.9
335.21683	4.6
335.25742	89.0
336.26019	4.2
349.28305	3.2
387.28784	2.9
447.27206	2.8
519.35236	3.1
525.35345	2.9
543.36798	63.8
707.05609	3.3
754.45837	3.7
755.45599	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	754.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.05509	33.9
56.02934	4.0
57.03435	15.5
61.02924	7.3
65.03931	4.5
67.05495	100.0
69.03439	10.2
69.07069	20.5
69.25674	15.6
69.26077	6.6
71.04982	5.5
79.05488	73.1
80.81139	3.6
81.03410	13.9
81.07048	80.6
83.04971	10.0
83.08623	16.3
85.02930	7.4
86.09686	6.6
91.05472	48.8
93.07035	66.4
95.04958	35.0
95.08600	57.9
97.02882	9.5
97.06500	7.1
97.10139	22.9
98.22704	9.7
105.07016	33.9
107.04942	14.0
107.08566	38.4
107.35358	3.9
109.06500	7.3
109.10143	38.4
111.08061	3.7
117.07014	18.8
117.09374	4.3
119.08560	23.1
121.06529	8.0
121.10131	25.6
123.08115	6.2
123.11644	5.3
125.09641	17.0
131.08568	20.7
133.10139	12.8
135.11719	15.8
143.08514	7.3
145.10126	15.8
147.11667	7.4
147.80069	4.2
149.13203	7.1
159.11699	19.0
161.13231	6.9
169.67081	3.9
171.11681	5.2
173.11722	5.7
173.13171	6.9
178.28061	3.8
184.07297	20.7
188.60947	4.5
189.11252	11.4
205.12221	6.2
223.13232	48.4
227.12791	13.7
229.14426	9.7
248.97495	4.1
261.22055	21.2
297.16891	84.6
317.24554	5.0
335.25745	87.4
489.35431	14.1
539.37543	4.9
557.38330	71.5
558.38855	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	754.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01874	6.0
55.05514	25.2
57.03429	8.1
57.07050	2.8
57.52940	3.3
65.03930	3.7
67.05496	69.1
69.07058	18.7
69.08553	19.9
71.04990	4.5
77.03880	2.6
79.05486	86.4
79.05947	4.3
81.03412	6.6
81.07046	60.3
83.04967	8.7
83.08620	8.1
85.06516	5.0
86.09700	3.5
88.25945	3.0
91.05470	100.0
93.06440	5.2
93.07033	93.1
95.04950	27.8
95.08591	43.0
97.06553	5.6
97.10165	4.9
98.22680	4.8
99.08114	3.1
103.05398	3.6
105.04501	7.5
105.07019	79.9
106.85463	2.6
107.04963	7.3
107.08575	32.9
109.06504	6.1
109.10142	9.3
115.05373	4.3
117.06991	17.5
119.08556	60.9
119.09419	3.5
121.10162	17.7
123.08077	7.7
128.06160	5.4
129.06972	25.1
131.08530	20.7
133.10135	33.1
135.11705	13.8
141.06984	3.7
143.08534	14.2
145.10085	28.4
147.08014	3.8
147.11667	54.3
149.13271	9.6
153.15335	2.8
157.10112	7.3
159.11707	17.0
161.09633	4.0
161.13232	33.0
163.14803	4.4
171.11688	40.4
173.13307	10.2
175.14810	12.8
183.11728	3.7
184.07199	4.1
185.13246	10.8
188.12326	3.7
189.12732	7.7
199.14841	4.9
207.13727	19.4
213.16412	4.1
231.21156	5.2
241.19415	24.2
259.20532	59.1
275.20135	3.3
279.15927	16.5
281.17447	70.1
315.23135	9.0
326.20526	3.0
333.24203	45.2
340.35715	3.5
396.78534	3.1
447.32602	6.6
456.70490	3.2
465.33447	4.6
482.01553	3.4
483.34970	5.6
539.37280	64.6
540.37421	5.3
543.36926	3.1
557.38385	20.9
558.39178	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	756.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01857	4.1
55.05499	6.0
57.03424	2.2
58.58522	1.5
61.02921	1.8
61.33848	1.7
67.05493	8.5
67.65423	1.3
69.03423	17.2
69.07061	26.0
69.16355	8.3
71.04984	6.4
73.06543	3.3
79.05480	16.2
81.03409	15.8
81.07051	9.2
83.04972	60.3
85.02885	9.8
85.06533	2.4
86.49686	1.4
91.05470	19.1
93.07027	14.0
95.04950	14.0
95.08595	3.8
97.02867	5.7
97.06524	50.7
98.06870	1.7
99.04437	13.6
101.06021	3.2
103.05472	2.5
105.07011	50.7
107.04944	5.8
107.08590	12.8
109.02842	5.7
109.06502	11.5
113.06004	3.3
117.07001	11.2
119.04918	8.9
119.08559	9.9
121.06494	36.4
121.10123	3.1
123.08057	3.4
125.05978	87.2
127.03895	5.1
128.06213	2.5
129.06972	6.0
130.07759	3.6
131.08563	18.4
133.06439	8.6
133.10115	6.1
135.04372	4.7
135.08093	2.8
135.11705	3.7
137.05937	7.1
141.06934	3.6
142.07716	1.7
143.07021	100.0
143.08485	6.2
144.09325	5.1
145.06464	9.4
145.10106	76.3
147.04396	33.7
147.08034	3.6
147.11678	3.5
151.07542	15.1
154.07805	2.9
155.08539	4.6
157.10089	3.0
158.07251	10.3
159.08044	11.4
159.11678	32.6
161.09587	3.6
163.07513	3.2
163.11153	20.0
167.07182	1.6
169.10156	10.5
171.08076	1.9
171.11671	3.1
172.08835	5.2
173.09602	69.0
174.09988	1.8
175.07478	2.5
175.11092	1.5
177.12698	16.2
182.07184	1.9
187.07600	1.9
187.11157	57.6
189.12691	4.4
191.10643	24.7
197.09575	10.6
199.05927	1.9
205.10280	3.6
205.12215	74.0
209.11673	11.0
210.48502	1.8
215.10663	66.0
216.11006	2.6
223.13280	3.0
233.11697	98.6
234.12108	2.1
245.11649	1.7
251.10191	3.3
251.12741	46.2
255.01468	1.7
269.13882	4.3
341.14066	2.2
359.14874	4.5
377.16049	11.1
395.17087	13.8
413.18002	44.1
414.18430	1.7
424.27710	1.6
559.21570	2.1
575.22699	2.8
577.94958	1.7
606.21808	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01652	0.7
55.01854	4.0
55.05510	6.8
57.03429	1.6
59.93439	0.6
61.02926	1.3
63.73233	0.7
64.19193	0.8
65.03934	2.4
67.05504	8.0
69.03421	16.8
69.07061	27.4
71.04993	7.0
73.02898	1.2
73.06548	2.4
77.03933	1.3
78.66516	0.6
79.05488	19.1
79.80225	0.7
81.03411	14.7
81.07051	10.7
83.04975	63.3
85.02899	9.5
85.06526	2.6
91.05471	20.3
93.07037	16.1
95.04958	15.1
95.08604	6.8
95.11529	0.8
97.02892	5.2
97.06523	56.0
98.06870	0.9
98.23496	1.6
99.04440	15.1
101.06020	2.0
103.05457	2.4
105.04526	1.5
105.07021	53.7
107.04939	6.7
107.07912	1.4
107.08582	15.5
109.02863	7.2
109.06504	13.0
111.04444	2.5
113.05967	2.1
114.64561	0.7
115.05440	2.7
115.07564	1.3
117.07008	11.7
119.04931	10.3
119.08579	11.0
121.06499	36.2
121.10141	3.4
122.06828	1.1
123.04411	1.2
123.08041	2.9
125.05981	98.7
126.06313	1.9
127.03934	4.9
127.07536	1.9
128.06223	3.4
129.05475	0.9
129.06970	4.4
130.07788	5.2
131.04935	1.5
131.08553	19.4
133.06465	10.3
133.10100	5.6
135.04395	3.7
135.08035	4.2
135.11673	4.4
137.05939	7.2
137.23462	0.7
139.07545	2.8
141.06960	4.3
142.07845	1.0
143.07022	99.8
143.08516	6.4
144.07405	1.3
144.09326	5.6
145.06468	12.5
145.10114	95.5
146.07278	0.9
146.10425	1.3
147.04396	40.8
147.08034	3.1
147.11667	3.4
149.05977	2.1
149.09625	1.4
151.07529	16.2
153.07016	1.1
154.07776	4.1
155.07230	0.7
155.08539	5.0
156.09270	1.2
157.06506	1.3
157.10101	2.4
158.07236	11.5
159.08047	11.1
159.11681	35.0
160.12056	1.1
161.06004	1.5
161.09575	2.6
161.13210	1.5
163.07535	3.1
163.11166	22.7
167.07066	0.8
169.10098	10.0
171.08057	2.3
171.11679	2.8
172.08830	5.2
173.09605	79.4
174.10037	1.7
175.07510	1.1
175.11116	0.9
177.05521	1.0
177.12735	17.7
179.08560	2.7
181.12207	1.0
182.07291	1.4
185.09586	1.7
187.11162	66.3
188.11491	1.7
188.62447	0.8
189.09026	1.1
189.12775	3.8
191.10648	30.8
197.09592	10.7
199.05981	1.4
201.09082	1.0
203.10693	1.5
205.12224	80.1
206.12596	2.0
207.13768	1.4
209.11716	12.7
215.10652	80.0
216.11018	1.9
219.10184	1.2
223.13344	2.6
231.10126	0.8
233.11703	100.0
234.12093	2.5
235.09641	0.9
245.11653	1.1
249.11119	0.9
251.12767	48.9
252.13132	1.8
263.12924	0.9
269.13748	6.4
279.12405	1.0
293.13852	1.0
309.09674	1.1
313.14377	0.9
317.13800	1.3
341.13846	2.7
359.14795	4.0
377.15994	9.1
378.16217	1.0
395.16986	13.2
397.16138	1.1
413.18048	46.2
414.18317	2.3
560.32458	0.9
575.23022	3.0
738.89832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
55.01869	5.1
55.05497	9.9
62.73927	2.3
67.05495	9.3
69.03421	15.2
69.07070	18.0
71.04977	11.0
79.05490	15.7
81.03410	10.9
81.07066	12.1
83.04972	68.8
85.02401	4.3
85.02901	65.6
85.06528	3.4
87.04472	2.5
91.05470	17.8
93.07046	19.3
95.04974	15.0
95.08579	5.6
97.02866	4.1
97.06519	33.8
97.90161	2.2
99.04449	16.1
103.05458	3.5
104.88082	2.9
105.07021	45.8
107.04964	6.4
107.08587	15.4
108.72626	2.1
109.02870	8.1
109.06505	17.9
111.04437	16.4
112.85015	1.9
113.06026	2.9
113.17117	2.2
115.05389	2.5
117.06990	12.0
119.04919	13.8
119.08593	13.0
121.06487	28.6
125.05978	65.4
127.03938	8.8
127.07517	2.3
129.05466	12.7
129.06984	5.8
130.07785	6.4
131.04884	10.7
131.08575	16.4
133.06479	7.7
133.10126	7.3
135.04398	3.5
137.05951	29.0
139.07501	5.5
143.07025	57.3
143.08534	4.5
144.09328	3.0
145.06499	7.6
145.10117	91.2
147.04430	18.7
147.08075	2.9
147.11697	4.0
151.07506	17.2
155.08647	2.9
157.08641	4.9
157.10057	4.2
158.07291	5.8
159.08035	8.0
159.11685	32.4
161.09576	4.4
163.03893	5.9
163.07526	31.4
163.11153	24.7
167.07036	3.7
169.10126	8.7
171.06511	49.3
171.07945	3.9
172.08847	4.4
173.09601	57.2
175.07578	4.3
177.12733	11.9
187.11156	65.7
189.07573	14.1
189.12714	3.6
191.08722	4.3
191.10672	22.5
197.09618	10.4
205.12212	66.2
205.14075	4.7
206.12645	3.4
209.11755	9.5
215.10660	72.5
219.08075	7.4
223.13298	9.4
231.08495	3.6
233.11690	100.0
234.12038	4.7
251.10249	4.9
251.12727	53.5
269.13818	43.4
279.10269	13.6
299.12680	12.1
311.12805	16.7
329.13791	10.4
359.14810	5.1
377.15948	6.8
395.16898	9.7
413.17978	27.7
483.52328	2.6
688.48242	2.4
768.95343	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	756.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.4
55.01864	8.0
55.05499	8.5
57.03424	4.8
57.07068	11.0
61.02922	5.9
67.05492	13.5
68.99779	2.4
69.03426	30.0
69.07063	21.1
71.04979	4.8
71.08624	7.5
73.02911	5.8
73.42583	1.2
79.05479	3.2
81.02960	2.2
81.03413	31.7
81.06565	1.8
81.07049	36.4
83.01313	1.8
83.04980	6.1
83.08599	10.5
85.02898	71.5
85.06535	4.8
85.10184	3.6
86.03208	1.4
87.00819	30.2
91.03952	1.2
91.05450	1.8
92.59723	1.4
93.07034	4.0
95.04962	2.5
95.08598	55.5
97.02891	31.1
97.10155	9.7
99.04452	11.4
99.08074	2.6
101.02352	1.5
103.03959	2.3
105.01859	25.2
105.07040	2.9
107.08594	4.0
109.02868	45.1
109.06517	1.3
109.10143	27.3
111.04421	9.9
111.11695	9.8
112.04750	2.1
113.09621	6.0
115.03953	1.5
117.01855	1.4
119.08552	2.5
120.85884	1.4
121.10108	2.1
123.04408	1.8
123.11702	19.6
125.13241	2.9
127.03900	62.1
127.11157	3.7
127.14808	1.3
128.04210	1.8
129.01854	2.7
133.10060	2.4
137.13248	17.4
145.04944	13.1
145.10120	1.7
147.02827	1.9
149.13196	2.3
151.03923	1.8
151.14810	24.4
153.05495	2.2
159.02850	11.5
161.13330	1.9
167.62383	1.6
169.04956	3.4
173.13277	1.3
177.05408	1.6
186.08755	1.3
187.06041	3.1
189.03957	6.2
193.04922	1.5
207.21033	26.0
211.93033	1.2
213.03944	12.7
213.22151	5.1
225.22099	16.7
225.30565	1.4
231.04982	16.2
231.08662	1.6
243.23170	100.0
244.23492	4.4
249.06108	3.6
253.06918	1.6
273.05954	11.4
315.07077	2.4
333.24149	2.6
339.07129	2.9
351.25336	2.0
411.27280	5.4
437.25351	5.1
443.07913	1.5
455.26208	4.2
461.09222	3.8
473.27219	2.3
755.53156	2.1
756.53925	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	756.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
53.90530	3.2
55.01858	14.3
55.05503	41.8
57.03424	17.1
57.07047	4.6
59.04964	4.0
60.08159	6.4
61.02912	4.7
67.05499	57.2
69.07062	20.9
69.17921	22.7
71.01324	3.7
71.04975	6.3
79.05486	76.5
81.03401	20.9
81.07042	65.3
83.01315	15.1
83.04959	23.1
83.08609	25.1
85.02921	9.6
86.09702	13.4
89.37511	3.8
91.04946	5.9
91.05475	91.4
93.07036	86.1
95.04951	24.8
95.08595	50.3
97.02888	8.7
97.06501	9.1
97.10149	10.0
103.05461	4.0
104.04766	3.8
105.04486	4.8
105.07020	83.5
107.04953	18.3
107.08581	49.4
109.06510	13.1
109.10123	13.1
111.04438	5.2
111.08070	4.7
117.06996	40.7
119.08559	65.4
121.10114	34.7
123.08051	13.2
124.99969	8.5
125.09600	12.8
129.06996	21.1
131.08546	35.4
133.10124	50.2
135.08043	6.8
135.11681	30.9
143.08540	16.6
145.10114	30.6
147.11676	46.8
149.09566	7.4
149.13170	8.2
151.11089	3.9
155.08519	5.2
157.10168	10.5
159.11720	27.7
161.13278	22.9
163.11169	36.7
169.10072	4.6
171.11662	15.2
173.13249	8.4
175.11133	5.6
175.14836	7.6
181.12195	5.3
184.07329	44.4
185.13254	11.9
187.14804	6.6
189.11169	9.1
199.14783	10.7
209.11743	12.8
213.16284	4.4
227.12773	23.1
231.21025	7.3
241.19463	23.7
259.20538	73.3
260.20975	5.5
275.20090	8.5
283.15359	93.6
285.16818	4.6
291.19559	10.4
297.22009	8.5
315.23230	12.5
316.89169	4.2
333.24222	56.9
365.23093	4.3
431.29306	7.3
449.30429	7.7
467.31226	6.9
485.32889	4.2
523.34418	7.9
541.35266	100.0
542.35791	7.3
559.36139	46.8
701.13458	3.8
757.19214	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	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01870	6.0
55.05505	20.1
57.03434	10.1
57.07064	1.6
61.02914	2.3
65.03941	1.5
67.05496	42.0
69.03427	5.5
69.07056	32.8
69.89835	4.2
71.04984	3.6
79.05486	35.0
81.03415	4.9
81.07047	50.9
83.04964	6.6
83.08609	12.5
85.02895	2.5
85.06545	2.8
86.09712	3.1
91.05464	20.9
93.06442	2.8
93.07030	43.5
95.04953	8.6
95.08593	17.4
97.02896	6.9
97.06519	8.6
97.10171	9.0
105.04515	2.8
105.07010	13.2
107.04946	5.8
107.08582	22.2
109.06500	4.8
109.10136	7.8
111.08059	4.8
113.09643	1.6
117.07020	8.2
119.08562	10.7
121.06506	3.6
121.10137	13.8
123.08076	3.4
123.11628	1.4
125.00022	1.5
125.09627	6.2
129.06996	2.6
131.08571	10.9
133.06401	2.6
133.10136	10.1
135.08044	4.6
135.11713	4.5
137.09558	1.7
143.08575	2.4
145.10127	5.5
147.08035	4.6
147.11627	1.7
149.09651	2.3
149.13234	15.7
157.10066	2.5
159.11658	9.9
163.11125	2.0
175.11177	2.0
177.12799	4.0
184.07314	6.0
189.11279	1.9
191.70448	1.3
195.13789	6.8
207.67967	1.5
213.14774	1.6
223.13229	15.4
227.12798	4.4
249.14856	3.9
269.17450	67.5
273.18457	11.6
291.19501	84.3
292.19702	2.6
331.13895	1.5
347.22226	3.0
365.23206	35.3
428.97162	1.3
441.16498	1.5
541.35028	2.1
559.36230	100.0
560.36475	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	756.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01865	7.1
55.05504	20.1
57.03439	5.2
57.07080	2.2
61.02905	2.5
65.03912	2.6
67.05497	48.3
69.03426	5.9
69.07056	24.8
70.52435	3.2
71.04988	3.7
74.44706	1.6
79.05482	33.5
81.03400	6.9
81.07047	60.1
83.04984	7.8
83.08618	13.6
85.06541	5.0
86.09694	5.5
87.13582	2.3
91.05474	30.2
93.07028	38.8
95.04945	9.4
95.08601	25.2
97.02879	6.5
97.06527	8.3
97.10167	6.2
105.04509	1.9
105.07023	25.0
107.04939	9.3
107.08581	33.3
109.06504	3.5
109.10131	17.2
111.08128	3.6
117.07014	8.1
119.08595	9.2
121.06478	4.6
121.10120	11.5
123.08081	4.1
123.11690	5.7
124.99997	2.6
125.09637	4.1
126.18407	1.9
129.07018	3.4
131.08554	10.6
133.06450	3.3
133.10121	24.2
135.08035	6.5
135.11661	8.2
143.08540	3.0
145.10114	6.7
147.08055	4.2
147.11719	3.6
149.09610	2.1
149.13252	13.5
151.11151	9.6
157.10075	2.5
159.11687	8.7
161.09613	3.0
171.11745	2.5
177.12781	3.6
184.07347	15.0
189.11101	3.0
195.13763	9.3
213.14841	2.3
223.13274	10.2
227.12804	3.3
245.19028	2.7
249.14751	2.8
253.14284	26.4
269.17426	56.0
273.18427	19.8
291.19516	64.1
292.19736	3.7
297.11121	2.5
309.20642	2.6
347.22150	5.2
365.18732	1.8
365.23190	35.2
375.57983	2.2
386.14337	1.8
431.74994	1.8
465.28387	8.2
488.49817	2.1
541.34705	5.7
559.36224	100.0
560.36414	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	756.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01864	8.1
55.05503	19.5
57.03429	11.9
57.07052	2.8
59.50508	1.1
59.97795	1.2
60.08137	1.5
61.02906	2.6
65.03925	3.7
67.05494	82.2
68.05824	1.6
68.49854	1.0
69.03410	5.5
69.06709	1.7
69.07057	24.9
70.03598	2.6
70.03933	1.4
70.46495	1.0
71.04981	6.8
73.02892	1.2
74.90208	1.1
79.05480	56.9
80.05798	1.5
81.03406	8.1
81.07045	93.4
81.38823	1.0
83.04968	14.0
83.08607	12.0
85.02890	3.5
85.06513	6.3
86.09690	3.9
91.04874	1.2
91.05466	58.0
93.07030	62.5
95.04954	14.4
95.08011	2.3
95.08589	27.7
97.02885	3.1
97.06515	12.0
97.10181	2.9
99.04453	3.6
99.08085	2.8
102.39675	1.1
103.05415	1.1
105.04524	3.4
105.07014	45.5
106.07299	2.1
107.04922	7.7
107.08576	52.7
109.02815	1.1
109.06499	9.4
109.10141	45.2
111.04420	2.1
111.08080	5.8
113.05980	2.2
115.05459	1.8
117.07000	12.6
119.08559	11.7
121.06498	8.6
121.10127	18.8
123.04404	1.1
123.08033	4.6
123.11694	8.7
125.00007	2.7
125.09606	1.3
127.07555	1.9
129.06964	4.0
131.08539	17.1
133.06482	6.2
133.10106	69.7
135.08031	7.9
135.11662	9.1
137.06010	1.4
137.09607	2.3
139.11046	1.8
143.08562	4.2
145.10136	6.7
146.10457	1.7
147.08020	3.1
147.11685	6.3
149.09602	6.9
149.13240	21.5
151.11154	31.4
157.10114	2.8
159.08032	2.2
159.11659	9.7
161.09595	5.9
161.13182	2.5
163.11211	1.4
169.10112	1.9
169.12221	5.8
171.11650	2.1
173.13268	1.2
175.11183	5.0
175.14789	1.4
177.09055	2.5
177.12703	4.4
179.10672	1.7
183.11716	1.4
184.07286	16.4
187.11177	2.0
189.12643	1.5
195.13762	7.9
207.13794	1.7
215.12671	4.9
227.17987	1.5
235.49414	1.1
245.18929	3.9
250.34538	1.2
251.12784	6.4
253.14311	100.0
254.14668	2.4
255.17432	3.0
259.20596	1.7
263.20041	4.0
267.15875	1.4
269.17426	68.0
270.17651	2.6
273.18460	26.4
283.15335	1.7
291.19516	27.9
309.20572	3.8
347.22076	10.5
365.23206	25.5
366.22974	1.6
463.26669	4.1
465.28424	39.4
466.28714	2.9
541.35144	13.2
559.36212	74.8
560.36676	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	756.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	4.3
53.03931	2.5
55.01860	6.1
55.05502	18.1
57.03429	11.8
57.07079	2.0
59.05000	2.4
59.43729	1.8
59.94620	1.8
60.06746	1.8
60.08154	3.0
61.02902	4.5
65.03950	2.4
66.37129	1.8
67.05495	60.4
67.59176	2.0
69.03423	2.9
69.07060	14.6
71.04981	2.7
71.07370	2.8
73.02924	2.3
77.03899	2.4
79.05482	42.3
81.03409	4.4
81.07043	56.1
81.07505	3.9
83.04945	3.0
83.07166	1.7
83.08618	12.1
85.02863	2.5
85.06506	2.1
86.09686	14.5
88.96758	1.8
91.05468	34.1
93.07025	46.4
94.07275	1.7
95.04958	7.3
95.08588	36.1
97.02863	6.4
97.06533	6.4
97.10156	4.4
98.22688	4.8
99.00800	16.3
105.07014	27.8
107.04925	7.0
107.08576	24.8
109.02869	11.4
109.06512	5.1
109.10159	20.0
111.04450	2.0
111.08063	5.0
115.03924	2.9
117.07018	5.9
119.08559	19.8
121.06493	6.4
121.10120	20.6
123.04395	2.5
123.11680	5.9
124.99966	7.5
131.08543	12.5
133.06464	2.3
133.10110	37.8
135.11627	9.4
139.07527	2.9
143.08578	6.2
145.10118	6.1
147.11674	5.3
149.13203	6.1
151.11176	10.1
154.85335	1.8
159.11665	5.5
161.09596	19.5
161.13240	4.1
163.14809	3.3
171.08029	4.1
173.13289	3.0
179.10637	10.5
184.07315	44.9
189.09125	8.9
207.10190	2.4
225.11198	15.9
226.40047	1.9
243.12177	3.5
243.21027	7.4
261.22141	15.8
277.21619	3.2
281.13876	5.5
299.14847	86.8
300.15384	3.0
315.22964	3.2
317.24619	2.9
335.25769	100.0
336.26059	4.1
467.31198	4.5
513.35565	3.4
541.34924	10.4
559.36255	44.0
560.36163	4.1
781.10016	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.6
58.06604	0.4
60.08162	3.5
69.29725	1.9
71.07381	2.1
86.09700	19.7
98.98444	1.9
103.46242	0.3
104.10729	1.4
124.99989	13.5
184.07327	100.0
185.07634	1.2
191.26192	0.4
197.40190	0.3
357.81247	0.3
369.11987	0.3
444.29919	0.4
587.14142	0.4
653.05878	0.3
756.55096	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	756.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.5
60.08157	5.9
69.18672	2.7
71.07365	2.5
83.35040	0.3
86.09698	23.5
87.10040	0.5
97.68568	0.4
98.22711	1.0
98.98448	2.0
104.10722	1.5
114.06506	0.4
124.99036	0.6
124.99990	17.0
184.07327	100.0
185.07693	1.5
242.99077	0.4
298.50620	0.4
756.54822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	30.8
62.62018	1.8
71.42935	1.7
78.61088	1.7
84.96032	2.6
91.80352	1.8
107.69412	1.5
160.99023	2.3
165.99405	5.3
167.00182	10.3
176.33795	1.7
179.00159	10.6
181.01602	2.1
184.00459	8.9
185.01187	25.6
193.01706	2.4
197.01204	30.1
203.00359	1.7
203.02260	6.8
205.01831	1.6
209.01213	12.9
210.02174	1.7
210.99109	3.1
211.02765	8.2
215.02287	5.8
217.01730	4.9
220.02472	1.7
221.01231	3.1
223.02673	1.8
226.99960	3.2
227.02235	65.5
228.02605	2.2
229.03828	2.5
234.01967	6.7
235.02750	43.7
237.00659	15.3
245.03362	13.3
249.00719	3.2
249.05531	2.1
252.03078	2.5
253.03746	12.9
255.01747	12.7
263.02231	7.4
273.02734	8.5
279.01617	3.0
288.01028	2.1
289.01654	2.7
291.03873	1.7
295.02930	3.9
297.04343	11.5
305.01282	2.5
307.02820	16.8
309.04202	4.6
311.02194	2.8
313.03802	3.3
315.05112	2.4
317.01300	3.5
319.99835	9.9
323.02209	6.8
324.03030	6.0
325.03787	33.0
327.01776	3.5
327.05356	3.7
329.03333	14.0
335.02237	27.3
338.00940	8.2
341.03336	4.5
342.04337	2.3
343.04916	13.3
347.04120	2.8
351.01721	5.8
353.03256	78.1
354.03622	3.5
355.00952	2.3
365.77545	1.9
369.02811	8.5
371.04318	59.8
372.04633	2.8
376.04852	1.8
379.01392	5.9
387.03726	3.3
389.05319	20.5
397.02347	12.0
415.03217	9.7
433.04340	12.1
487.06726	6.8
497.05435	3.9
505.07922	8.7
515.06445	10.1
533.07538	30.6
549.06976	8.6
551.08728	12.7
559.05621	3.8
577.06506	47.4
578.06036	2.4
595.07538	100.0
596.07532	4.7
618.08783	5.1
757.11761	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	757.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01873	1.8
67.01884	1.6
69.03445	6.5
69.76245	3.4
69.76633	2.6
70.06588	2.1
71.04956	1.3
81.03410	14.5
85.02902	5.6
86.09744	1.8
87.00831	2.4
93.03415	1.5
97.02891	13.3
98.22792	2.5
99.04450	2.9
107.04970	2.4
109.02859	10.6
111.04432	1.4
127.03912	24.4
135.04413	3.6
137.02342	100.0
137.03441	6.8
138.02669	1.2
139.03880	7.1
151.03932	2.0
161.05946	1.5
163.03922	4.4
165.11650	1.1
175.03845	1.4
179.03375	9.4
181.05067	1.7
187.06029	3.4
189.05640	1.3
203.03386	3.8
211.02805	2.1
227.02171	1.7
229.04895	1.7
250.05606	1.2
255.01845	2.0
259.05969	1.6
287.05475	16.5
299.05612	2.4
305.06506	22.0
311.05518	2.2
313.06790	1.2
325.06128	1.4
329.06512	11.3
347.07727	2.1
371.07620	2.1
377.06497	2.0
383.07605	1.6
395.07620	5.4
413.08624	2.6
426.75970	1.4
431.09555	4.2
449.10803	3.2
656.68573	1.3
709.31134	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.05513	1.6
57.03427	1.4
59.12905	0.4
61.02924	3.3
65.03929	0.4
67.05500	5.1
69.03414	2.8
69.07067	3.2
71.01373	0.5
71.04988	0.6
71.19174	0.5
71.75541	0.4
73.02919	2.7
79.05483	5.9
81.03400	2.1
81.07048	5.3
81.33226	0.5
83.04989	1.2
83.08607	0.8
85.02894	3.3
86.09717	0.7
91.03974	1.8
91.05463	5.2
93.07044	4.2
95.01283	0.6
95.04974	2.6
95.08599	4.0
97.02906	2.7
97.06537	1.0
97.10147	0.5
99.04453	0.5
101.02379	0.9
103.05434	0.4
104.59820	0.4
105.04505	0.5
105.07010	4.8
107.04967	1.4
107.08599	2.0
109.02861	0.5
109.10176	0.6
115.05445	0.4
117.07050	0.8
119.07844	0.4
119.08578	2.6
121.10191	0.5
123.08090	0.8
125.00001	0.5
127.03902	1.0
129.07018	0.7
131.08571	1.4
133.10101	3.0
135.11676	0.6
143.08585	0.9
145.10146	1.3
147.11685	1.9
148.14397	0.5
149.09605	0.9
153.95290	0.4
159.11714	0.7
161.13242	0.9
171.11710	1.3
184.07333	2.2
207.13803	0.5
243.08348	3.3
247.13115	0.9
275.20038	0.7
315.19318	3.8
335.25800	1.2
371.21890	1.0
465.20886	9.3
465.26938	0.7
488.49304	0.5
533.27087	8.1
534.27802	0.6
543.37085	0.6
644.57898	0.6
757.41205	100.0
758.41473	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	758.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.3
71.12020	2.3
71.42884	2.2
91.05801	4.1
107.04963	2.6
123.04454	3.1
133.02821	4.9
135.04425	5.5
137.02309	8.2
137.05972	3.9
145.06447	2.6
147.04337	4.5
148.03954	4.4
153.05461	2.3
162.05457	5.3
163.03928	6.8
165.07051	5.5
167.07053	6.7
172.04117	2.3
176.03508	3.7
178.05005	2.8
181.06480	2.4
187.04053	3.8
190.04984	12.3
191.05705	3.2
197.05971	3.7
202.05074	2.6
205.06497	8.0
208.06026	5.5
221.06017	14.7
222.05513	2.4
223.07724	13.5
225.05467	4.3
233.05984	3.8
235.02904	3.2
236.07051	6.8
238.08733	2.7
239.06993	5.0
249.05495	11.1
251.06999	8.6
252.06461	11.2
253.07280	4.2
254.08212	3.1
262.04987	10.2
263.05670	4.0
264.06509	7.9
265.07358	10.1
266.08231	14.3
267.06256	3.4
268.09586	3.5
270.07751	3.1
276.06546	3.5
277.04803	6.1
278.04712	3.4
278.08121	5.9
279.05823	7.3
280.06073	17.1
281.06799	12.5
282.07605	5.2
283.04822	4.7
283.08121	2.9
284.09067	3.9
290.04404	13.3
291.05072	13.0
292.06061	5.4
293.06824	6.3
294.07538	15.4
295.05701	17.1
295.08728	3.2
296.05582	7.6
296.09143	7.5
298.07544	2.7
298.10614	3.3
299.06058	3.7
305.06931	4.8
306.03937	9.0
307.04736	40.9
307.08167	4.0
308.05475	14.8
308.08984	5.3
309.06357	13.9
310.07010	10.0
310.10422	3.7
311.07907	11.3
312.08551	8.2
313.06760	3.2
318.04117	3.1
321.06396	3.4
322.07101	15.7
323.08081	15.5
324.08716	6.1
325.05719	9.5
325.09494	7.4
326.10175	29.6
327.07312	2.5
328.08139	3.0
333.06519	3.4
334.03381	15.9
334.06848	3.5
336.04971	9.4
336.08743	6.0
338.06476	3.9
338.10156	10.9
339.07364	5.8
340.08234	12.1
343.06717	6.7
347.04263	2.7
349.05786	20.2
350.06378	7.2
351.07336	20.7
352.00159	2.5
352.04294	5.8
352.08124	8.2
353.03378	6.9
354.03369	4.9
354.04770	3.8
354.09698	64.9
355.10248	6.5
356.11142	5.4
358.09045	2.9
364.08182	18.5
365.08981	3.1
367.06857	40.6
368.07330	6.2
369.08563	13.8
370.09247	5.6
372.10828	4.9
382.09189	58.2
383.09528	5.8
384.10529	3.8
385.07864	7.6
399.08969	4.0
400.10254	100.0
401.10660	4.8
417.15643	3.2
418.11282	6.6
504.04352	3.1
578.06946	4.0
596.07684	8.0
690.12366	5.6
694.15100	10.0
694.67139	2.9
696.17023	5.0
704.13525	4.3
707.12762	3.4
722.14972	35.8
723.14746	3.9
740.15936	54.7
741.16028	6.9
759.86493	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	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
53.29533	1.9
53.33825	2.0
55.01869	7.8
55.05510	25.4
57.03429	18.4
57.07077	2.9
57.42830	2.1
61.02924	3.8
67.05499	83.7
69.03419	3.8
69.07059	34.5
71.04983	5.1
73.04733	3.3
79.05043	3.7
79.05488	65.1
81.03405	8.3
81.07052	100.0
83.04975	13.8
83.08618	21.2
85.02898	4.7
85.06542	6.4
91.05453	38.8
93.07037	72.1
95.04956	15.8
95.08593	36.5
97.02908	2.8
97.06520	21.4
97.10155	7.9
99.08069	3.3
105.07024	28.0
107.04957	10.7
107.08582	43.7
107.09263	4.0
109.06534	4.5
109.10171	8.1
111.08065	6.5
115.05471	2.7
117.07027	14.5
119.08562	21.4
121.06473	5.1
121.10126	25.4
123.08131	2.2
123.11689	4.2
125.09652	2.5
127.03904	3.7
129.07004	7.1
131.08545	21.0
132.08130	4.9
133.10124	17.8
135.07999	3.8
135.11664	17.9
143.08543	4.2
145.10088	13.2
147.11705	6.9
149.09587	12.4
149.13249	32.1
157.10086	5.1
159.11685	24.5
161.09631	2.5
161.13258	3.1
163.11169	10.6
167.05605	3.0
171.11633	2.6
173.13258	4.2
177.12738	6.6
179.14291	3.0
183.11699	2.5
184.07368	9.0
185.13278	2.6
195.13722	10.9
201.16420	3.0
217.26501	2.3
227.12762	9.1
239.17960	3.3
257.18976	8.6
258.58932	2.3
262.18073	7.1
269.17441	81.3
275.20023	29.1
293.21054	3.5
299.06119	7.0
300.85776	2.3
317.89731	2.3
349.23648	19.6
404.37140	2.2
423.27676	3.4
449.29022	26.8
463.30490	83.6
464.30829	4.8
503.33719	3.4
543.36768	42.9
561.37555	7.0
758.48114	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	758.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01863	4.4
55.05507	24.0
57.03430	14.2
60.08149	2.4
61.02915	3.6
65.03905	3.0
67.05499	79.5
69.03429	6.6
69.07056	34.9
69.69061	2.1
69.69404	7.8
71.04993	7.2
71.08615	2.2
73.02901	2.7
73.04715	2.7
79.05482	63.0
81.03415	14.0
81.03867	2.0
81.07048	97.8
83.04971	13.3
83.08608	21.9
85.02908	5.8
85.06540	4.7
86.09717	5.5
91.05445	45.4
93.07033	74.8
94.07363	2.1
95.04942	16.6
95.08595	35.4
97.02910	5.5
97.06528	11.8
97.10175	6.5
98.20543	2.4
99.08069	5.2
101.90913	2.4
105.04538	4.8
105.07024	37.8
107.04963	8.9
107.08569	43.5
109.06508	8.0
109.10130	10.6
111.08068	9.3
117.06997	21.0
119.08571	23.7
120.08937	2.4
121.06512	4.1
121.10126	23.9
123.08069	3.4
123.11680	5.4
124.99994	3.8
125.09624	4.9
127.03975	4.2
129.07008	6.7
131.08572	23.5
132.08040	2.6
133.10123	22.9
135.08060	4.7
135.11697	18.4
143.08510	2.7
145.10106	13.6
147.11662	10.7
149.09615	5.6
149.13237	22.6
151.11165	3.5
157.10150	5.3
159.11697	20.0
161.13257	2.6
163.11159	8.1
171.11717	4.1
171.88112	2.3
173.04495	2.3
173.13185	5.1
177.12755	7.8
179.14259	3.7
184.07333	15.5
189.11214	3.0
193.12239	2.5
195.13800	15.3
211.13138	2.3
225.04355	2.6
227.12729	10.4
239.17935	2.5
247.20706	2.9
255.15913	6.8
257.19043	6.9
259.20447	3.1
262.17969	5.2
267.15799	2.5
269.17438	86.8
269.20334	4.9
275.20068	21.1
285.17001	5.2
333.24249	3.2
349.23721	23.4
449.29034	24.3
463.30481	100.0
464.30728	7.2
543.36664	37.6
561.38171	11.0
688.78857	2.3
759.25677	3.6
759.38800	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	758.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01877	1.2
55.05506	19.0
57.03436	8.5
57.07071	3.3
59.05000	1.3
61.02917	3.9
65.03934	2.9
67.05499	79.5
69.03422	2.8
69.07059	13.0
70.11900	0.6
70.71053	1.3
71.04988	23.2
77.03927	0.9
79.05486	44.5
81.03425	1.7
81.07049	100.0
82.07413	1.2
82.83010	0.7
83.04980	5.5
83.08620	6.8
85.02892	3.0
85.06534	7.6
91.03958	1.2
91.05473	33.6
92.70197	0.7
93.07035	40.0
95.04973	6.0
95.08598	31.2
97.02888	2.2
97.06528	3.1
97.10161	2.2
99.08076	0.8
105.04523	1.7
105.07015	18.8
107.08582	21.1
109.06532	2.0
109.10138	11.9
111.08103	1.5
117.06963	4.8
119.08577	8.1
121.10134	13.7
123.08055	1.3
123.11688	13.2
125.09652	0.9
129.06966	0.9
131.08559	9.3
133.10117	15.1
135.11673	8.8
137.09613	0.9
145.10127	3.9
147.11664	3.4
149.13240	4.7
151.11143	5.8
159.11661	4.7
161.13286	2.0
169.12256	1.5
173.13258	2.5
175.14850	0.9
177.12773	1.3
179.14340	0.8
183.13864	2.0
184.07289	1.7
187.13258	2.8
195.13788	2.2
227.16396	1.5
243.15904	1.0
257.17279	0.9
257.55426	0.7
261.22241	1.5
269.17392	4.8
270.48279	0.9
301.20065	14.1
302.20401	1.0
317.24799	1.3
335.25751	28.0
336.26212	1.4
469.77429	0.8
485.36118	2.4
503.37265	81.3
504.37607	5.8
517.39026	4.9
529.38818	12.6
561.41443	78.0
562.41742	7.3
722.70471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2464
Annotation	Antibiotic UCN 1028A
Peak:m/z	Relative Intensity
66.98235	0.5
69.20517	2.7
71.05003	1.0
73.86695	0.5
83.04987	1.2
85.02907	0.9
91.05474	4.4
98.23510	1.0
105.01933	0.5
111.04460	0.7
117.03411	0.7
119.04958	2.9
129.05505	0.6
145.02840	2.7
151.07523	6.3
177.05437	3.8
290.01422	0.5
317.10431	0.6
325.64319	0.5
377.12375	0.9
414.79202	0.6
511.34122	0.6
561.28070	0.6
565.18970	0.8
571.17896	4.1
759.24792	100.0
759.38885	12.3
760.25146	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	759.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
63.70443	0.4
66.01356	0.3
83.04993	2.4
85.02893	3.9
91.05466	2.7
111.04465	1.1
117.03387	0.6
119.04960	1.3
119.61072	0.4
127.03943	0.5
129.05519	0.9
137.52501	0.3
145.02888	1.8
151.07552	3.9
154.24602	0.4
165.05360	0.4
171.06581	0.5
177.05428	1.9
184.20796	0.4
209.97935	0.5
211.05748	0.9
269.07864	0.4
271.04214	0.8
359.11121	0.5
361.12723	1.3
565.18689	0.6
571.17841	4.2
699.21869	0.6
759.24652	100.0
760.25000	8.1
760.38287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
54.42313	0.5
57.03440	0.6
69.03442	1.0
69.07069	0.5
69.27887	3.4
73.04766	0.9
81.03419	0.6
83.05013	1.4
83.08603	0.6
85.02891	3.3
86.09730	1.7
86.11526	0.5
89.03915	0.6
91.05478	1.9
97.02917	0.9
104.10711	2.8
108.71764	0.6
109.02847	0.8
111.04462	0.6
116.99255	0.6
117.03401	0.9
119.04933	1.3
121.08441	0.7
123.04459	1.3
125.00009	0.9
127.03924	1.3
129.05452	0.6
131.04890	0.6
145.02895	2.6
151.07549	3.2
163.03922	0.9
177.05457	3.7
184.07373	2.2
193.04799	2.1
299.20126	0.6
378.99292	0.6
413.20251	0.6
449.47165	0.6
512.33258	0.9
529.16833	2.9
540.09106	0.6
549.86578	0.6
565.18439	0.7
637.22961	0.6
759.24579	100.0
760.25275	7.5
760.37988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83081	1.9
79.05482	3.2
81.25035	1.0
85.02897	3.2
86.73220	1.1
87.00787	1.0
91.05440	1.6
93.07035	2.0
94.06555	3.4
103.05464	1.8
108.08106	6.0
109.02879	1.2
110.09699	1.2
120.08087	12.7
122.06010	20.5
122.09666	2.3
127.03912	1.5
131.04939	1.5
134.05989	1.5
136.07570	14.2
137.05998	1.1
148.07562	28.8
150.09132	3.0
151.07541	1.9
166.08598	3.9
195.02150	1.0
209.10704	3.1
225.10243	2.5
235.08578	5.1
236.09441	7.3
237.10210	20.6
238.10626	1.4
249.10193	15.2
250.10918	4.0
251.08026	2.0
251.11751	6.4
252.08943	1.5
253.09689	2.6
261.10187	2.5
263.07974	1.5
263.11890	1.9
264.08835	11.7
265.09744	9.3
266.10446	2.5
267.11246	6.0
276.08905	1.3
277.09711	13.0
278.10449	4.8
279.11237	14.6
280.11942	2.1
281.09000	4.8
282.09888	2.7
283.10559	1.9
289.09677	1.7
291.07556	1.4
292.08340	3.1
292.11771	1.8
293.09204	49.8
293.12646	4.7
294.09598	3.6
295.10651	4.2
297.30664	1.0
303.07614	1.4
303.13333	1.3
305.09109	9.9
306.09961	1.3
307.10742	12.2
309.08524	3.0
309.12274	3.9
311.10239	3.3
311.13815	2.3
312.11053	2.7
313.11850	3.0
314.12808	1.5
323.10208	7.4
324.11014	1.0
325.11774	4.9
326.12640	1.3
328.14148	1.1
333.08759	6.0
337.11728	5.2
338.12747	1.5
339.13449	8.4
340.14191	2.1
342.12204	2.3
342.15854	2.6
347.10312	2.1
351.09744	23.3
353.11215	2.8
353.14999	3.0
354.12061	3.0
355.12802	3.4
356.13736	3.1
365.11490	5.1
366.12051	7.5
367.12506	1.6
368.13971	3.7
369.14420	2.1
370.11581	3.4
370.15628	3.2
371.12360	5.0
372.12799	1.5
382.15677	1.9
383.12280	9.0
384.17169	1.8
385.13950	6.4
386.14624	1.6
396.13043	1.7
397.13986	5.5
398.14651	1.9
400.16714	2.6
411.94916	1.2
412.16125	1.3
428.15952	5.3
438.14282	2.9
456.15576	5.2
457.15384	1.5
458.16965	2.0
460.18570	3.9
476.17822	2.8
486.16165	1.3
488.18152	7.6
489.18573	1.4
518.19104	1.6
520.20575	5.0
532.20251	1.6
551.22192	3.3
564.19897	4.7
578.21472	1.4
591.21741	3.7
592.22876	19.5
593.23651	15.8
595.25714	1.7
604.18573	1.8
605.19989	8.6
606.20648	2.3
622.19897	1.8
623.24762	2.3
636.21783	46.6
637.22565	100.0
638.23010	8.2
683.27094	7.0
695.22797	3.5
727.25732	7.4
728.26605	2.1
759.23932	24.1
759.38043	7.0
760.24774	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	759.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38637	0.6
67.05495	1.0
71.39838	0.5
78.06596	0.5
79.05481	0.5
79.73383	0.5
85.02917	0.6
86.09683	0.6
89.03882	0.9
91.05827	0.8
94.06561	3.0
95.04981	0.9
108.08101	1.1
116.04956	3.0
120.04485	0.9
120.08105	2.4
122.06030	10.9
124.07608	1.5
136.07568	6.3
140.07112	1.3
144.04457	5.2
146.06026	1.2
148.07564	2.9
150.05496	2.2
152.07114	0.8
156.30850	0.5
162.05492	2.4
166.08704	0.7
168.06535	1.8
172.02419	1.0
172.03918	20.2
172.05331	1.2
172.07561	1.3
182.08119	1.0
184.07350	1.3
185.10754	1.7
186.05484	0.8
187.12285	0.6
190.05014	3.1
196.09625	0.7
198.09175	2.7
199.08640	0.7
199.12294	1.1
201.10318	2.9
201.13916	0.6
204.06534	30.2
205.06914	0.8
211.10066	0.8
211.12056	0.6
212.10727	1.7
213.10135	3.3
213.13734	0.7
215.11780	2.0
225.10182	4.1
226.10889	0.7
227.08138	3.2
227.11797	1.4
228.12535	1.6
229.09705	1.9
229.13379	1.6
230.14211	0.6
236.09566	1.1
237.10205	0.6
239.11812	1.0
240.10187	0.9
241.09647	6.6
241.13264	3.6
242.08145	0.8
242.10460	10.3
243.11237	5.4
244.12021	1.1
249.10266	0.7
251.11703	0.9
252.08604	0.7
255.11292	2.5
256.12009	9.5
257.10220	1.2
257.12808	10.6
258.11215	2.7
258.13797	1.5
267.11313	1.2
268.09781	0.7
278.10507	0.9
279.11218	3.3
284.11511	7.1
285.12256	3.7
287.10175	1.6
289.15405	4.6
299.06342	0.9
299.13834	0.9
301.11966	1.2
302.12625	2.9
307.10703	2.7
315.13315	0.8
317.14926	100.0
318.15167	3.7
325.11780	1.2
329.11237	2.2
339.13345	6.3
367.13083	0.6
411.11838	11.4
429.12900	1.1
443.14584	3.1
476.18396	1.1
488.17966	1.7
508.20206	0.7
510.14227	0.6
623.25433	1.0
639.27502	1.3
655.27197	3.3
665.88843	0.6
683.27069	3.2
727.25934	6.9
759.37659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3918
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
53.03950	0.7
55.01873	1.1
55.05498	1.7
57.03426	1.5
59.70181	0.5
61.02917	4.1
65.71746	0.5
67.05503	5.0
69.03416	2.8
69.07062	3.2
73.02908	2.3
79.05494	4.7
81.03417	3.0
81.07042	6.1
83.01296	0.5
83.05001	1.3
83.08620	1.0
85.02893	4.2
86.09710	1.2
91.03927	1.2
91.05412	3.5
93.07039	4.4
95.04971	2.2
95.08599	3.3
97.02888	3.4
97.06557	1.0
98.22559	0.7
99.04432	1.1
101.02377	1.2
105.07018	4.2
107.04958	1.8
107.08590	3.2
109.02866	0.8
109.10181	1.1
113.98412	0.4
115.03929	0.6
117.07033	1.4
119.08566	2.8
121.10189	1.1
123.08085	0.8
131.08604	1.6
131.89571	0.5
133.10156	2.2
135.11714	1.1
141.99583	0.5
145.10149	2.3
147.11690	0.7
149.09622	0.9
149.13304	0.7
155.72035	0.6
159.11728	1.2
161.13165	0.6
163.11208	1.6
167.05527	0.5
173.09669	0.5
173.13327	0.5
184.07314	4.2
185.07545	0.6
185.95485	0.5
228.94377	0.5
243.08470	2.5
254.51044	0.6
269.17453	1.0
275.20123	1.0
299.05997	0.7
315.19263	2.9
347.22009	0.5
371.21951	1.1
463.30499	1.1
464.30884	1.2
467.18933	5.0
533.27100	8.7
544.37305	0.6
635.41589	0.7
651.60333	0.5
759.39136	100.0
760.39246	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	759.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01879	0.5
55.05501	1.3
57.03439	1.3
61.02924	4.1
66.92239	0.5
67.05502	3.5
67.44347	0.4
69.03415	2.0
69.07076	1.4
73.02907	3.7
79.05484	6.0
81.03429	1.6
81.07050	3.9
83.04979	0.5
83.08600	0.6
85.02908	3.6
91.03937	2.2
91.05473	4.6
93.07043	4.7
95.04966	1.3
95.08598	2.1
97.02882	3.4
99.04497	0.8
101.02388	1.4
105.07027	4.0
107.08585	1.9
109.10175	0.5
113.03378	0.4
117.07052	0.8
119.08594	2.3
121.10140	1.0
127.03934	0.9
129.07039	1.1
131.08571	0.6
133.10158	1.2
135.11803	0.4
143.08606	0.6
145.10133	0.8
147.11638	2.2
149.13330	0.6
155.35838	0.4
155.97371	0.4
157.10159	0.4
161.13287	1.0
171.11668	1.1
183.83211	0.4
185.04195	0.7
185.28156	0.4
189.12520	0.4
199.94275	0.4
229.18669	0.4
243.08292	2.8
247.13130	1.2
301.09030	0.7
324.25504	0.4
355.45816	0.5
373.11111	0.7
383.16953	0.5
397.13626	0.4
465.14969	0.9
465.21011	9.5
466.21185	0.5
495.22079	0.8
531.51813	0.4
535.28674	5.0
536.28577	0.5
537.23279	1.5
551.24969	0.5
759.42767	100.0
760.43054	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	759.428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.0
57.03425	2.4
58.87262	1.0
61.02938	4.8
67.03003	0.9
67.05495	15.5
68.05835	1.3
69.03430	4.2
69.07056	3.1
71.05006	1.5
73.02915	4.2
73.43058	0.8
79.05472	7.4
79.26705	1.3
81.03399	2.3
81.07042	18.3
82.07378	2.5
85.02892	4.9
85.06592	1.1
86.09705	3.1
91.03960	3.5
91.05482	4.2
93.07028	8.5
95.04972	3.2
95.08604	7.2
97.02902	5.3
99.04551	1.1
101.02381	2.1
103.03949	0.9
105.07014	5.2
107.08591	5.2
109.10173	3.6
119.08578	1.8
121.10156	3.6
125.00047	2.4
127.03896	1.8
128.89925	1.0
131.08566	2.2
132.96487	1.0
133.10147	4.3
135.11682	3.5
135.68553	1.0
149.13289	1.2
184.07353	10.4
187.13416	1.1
243.08580	1.7
259.67419	1.1
289.05240	1.0
299.06284	1.2
301.20111	1.6
335.25946	4.1
336.26001	2.4
441.19492	1.2
481.20398	7.8
503.37463	5.1
504.37491	9.0
504.42728	0.9
504.59372	1.1
519.29254	4.7
526.05780	1.2
527.77332	1.1
530.39453	1.7
562.41772	9.5
647.93134	1.1
691.40417	1.5
759.42792	100.0
760.43323	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	760.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29492	1.1
65.03941	3.0
68.07623	1.1
68.08639	1.1
70.06601	1.7
77.77172	1.1
79.05468	1.2
81.03425	1.4
85.02885	1.7
91.05434	2.6
93.07041	2.9
94.06555	4.0
95.07336	1.3
96.08131	7.7
97.06520	1.6
98.23466	4.0
103.05484	2.1
105.06977	1.5
108.04489	3.1
108.08107	8.3
109.02888	1.7
110.09673	10.3
111.04446	2.7
116.04984	2.3
117.03344	1.2
118.06554	2.6
120.04453	26.4
120.08102	8.4
122.05991	2.7
123.45233	1.2
124.07574	5.0
127.03925	1.5
134.06046	1.7
135.04410	3.1
136.07565	14.8
137.06012	2.6
138.05444	1.7
138.09145	9.4
139.03864	2.2
144.04419	3.7
144.08113	1.3
146.05997	16.8
148.07590	2.3
151.07549	3.0
160.03923	2.1
162.05518	3.4
163.03886	2.9
164.07079	3.7
166.08607	16.9
170.06006	4.4
172.03940	14.9
172.07491	2.8
175.07439	1.6
176.07051	2.2
179.07140	1.3
186.05499	5.1
188.07068	3.4
190.04933	17.4
198.05534	3.9
204.06532	24.3
212.07089	1.2
214.08453	1.6
216.06630	2.9
218.08188	3.3
227.11789	4.2
232.06020	6.6
238.04828	1.9
240.06671	2.6
245.12944	3.3
246.11528	2.3
249.10263	2.7
251.11832	1.3
255.11388	2.3
258.07581	3.4
263.11899	1.3
273.12363	15.4
275.11783	2.3
277.09616	2.5
279.11240	5.0
289.09705	2.9
289.65161	1.4
291.11368	2.8
293.09430	1.4
293.13062	2.8
297.12396	3.9
301.45074	1.2
303.11191	2.4
305.09161	13.6
305.12827	7.6
306.09912	1.5
307.10718	2.9
312.04242	1.6
316.07928	2.8
317.09207	4.7
319.10782	2.8
320.11383	1.5
321.12335	2.5
325.11862	9.9
333.12173	2.1
335.10489	1.5
339.13556	1.6
343.12903	2.6
349.11752	3.3
357.14386	3.8
365.11292	13.4
377.11417	7.1
379.31253	1.2
397.13824	20.7
444.18723	1.4
462.20056	3.8
470.17062	2.0
486.20154	2.3
502.19302	2.1
512.17896	4.4
515.41901	1.4
518.23071	1.3
530.19183	100.0
531.19598	7.1
562.21753	9.3
728.24292	2.6
760.26343	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29492	1.1
65.03941	3.0
68.07623	1.1
68.08639	1.1
70.06601	1.7
77.77172	1.1
79.05468	1.2
81.03425	1.4
85.02885	1.7
91.05434	2.6
93.07041	2.9
94.06555	4.0
95.07336	1.3
96.08131	7.7
97.06520	1.6
98.23466	4.0
103.05484	2.1
105.06977	1.5
108.04489	3.1
108.08107	8.3
109.02888	1.7
110.09673	10.3
111.04446	2.7
116.04984	2.3
117.03344	1.2
118.06554	2.6
120.04453	26.4
120.08102	8.4
122.05991	2.7
123.45233	1.2
124.07574	5.0
127.03925	1.5
134.06046	1.7
135.04410	3.1
136.07565	14.8
137.06012	2.6
138.05444	1.7
138.09145	9.4
139.03864	2.2
144.04419	3.7
144.08113	1.3
146.05997	16.8
148.07590	2.3
151.07549	3.0
160.03923	2.1
162.05518	3.4
163.03886	2.9
164.07079	3.7
166.08607	16.9
170.06006	4.4
172.03940	14.9
172.07491	2.8
175.07439	1.6
176.07051	2.2
179.07140	1.3
186.05499	5.1
188.07068	3.4
190.04933	17.4
198.05534	3.9
204.06532	24.3
212.07089	1.2
214.08453	1.6
216.06630	2.9
218.08188	3.3
227.11789	4.2
232.06020	6.6
238.04828	1.9
240.06671	2.6
245.12944	3.3
246.11528	2.3
249.10263	2.7
251.11832	1.3
255.11388	2.3
258.07581	3.4
263.11899	1.3
273.12363	15.4
275.11783	2.3
277.09616	2.5
279.11240	5.0
289.09705	2.9
289.65161	1.4
291.11368	2.8
293.09430	1.4
293.13062	2.8
297.12396	3.9
301.45074	1.2
303.11191	2.4
305.09161	13.6
305.12827	7.6
306.09912	1.5
307.10718	2.9
312.04242	1.6
316.07928	2.8
317.09207	4.7
319.10782	2.8
320.11383	1.5
321.12335	2.5
325.11862	9.9
333.12173	2.1
335.10489	1.5
339.13556	1.6
343.12903	2.6
349.11752	3.3
357.14386	3.8
365.11292	13.4
377.11417	7.1
379.31253	1.2
397.13824	20.7
444.18723	1.4
462.20056	3.8
470.17062	2.0
486.20154	2.3
502.19302	2.1
512.17896	4.4
515.41901	1.4
518.23071	1.3
530.19183	100.0
531.19598	7.1
562.21753	9.3
728.24292	2.6
760.26343	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
60.22323	0.7
61.02922	1.5
69.03428	1.4
69.24589	1.3
69.24986	2.3
75.93075	0.7
79.05486	3.6
80.41256	0.6
81.03409	9.9
85.02901	6.9
91.05459	1.7
92.68179	0.9
95.04945	1.1
97.02876	2.4
98.23447	1.4
103.05470	1.3
105.07013	1.1
106.24062	0.7
107.04949	9.9
115.05447	4.2
117.07010	13.9
123.04423	2.8
124.05161	1.6
127.03944	1.0
128.06215	0.9
129.06992	2.3
131.04861	1.3
131.08551	2.8
139.03813	0.8
141.07025	1.0
144.05664	2.2
145.04839	1.4
145.06470	36.0
147.07957	0.9
152.04721	1.5
155.06017	6.7
155.07076	1.0
156.05695	7.6
157.06505	1.9
159.08026	5.1
160.05136	1.5
161.05980	3.6
162.07613	1.3
163.03909	2.4
167.05560	0.9
167.07018	35.2
173.05969	68.1
174.06328	2.3
175.07477	1.1
176.36148	0.8
177.03928	0.8
180.08658	2.8
181.04953	1.0
184.05219	1.6
187.07544	4.3
190.04498	1.9
190.06223	35.5
191.06834	1.8
193.08597	1.3
202.06252	3.5
203.07034	6.8
205.08577	100.0
206.09004	1.4
207.06512	1.8
215.07062	1.2
217.08571	44.7
218.09099	0.9
219.10086	3.1
223.09647	3.7
231.08104	0.9
235.09625	33.2
245.09625	0.9
247.07730	1.5
247.09631	7.2
248.08305	2.3
249.09044	0.8
264.07776	1.1
265.10687	52.5
269.07965	1.0
271.09531	1.5
279.10172	1.1
290.09189	0.9
291.09967	0.8
293.08182	1.0
299.09052	0.9
308.10345	0.9
315.05444	0.8
315.08487	5.1
323.12671	1.8
325.10910	0.9
330.11035	8.5
331.11639	2.2
337.10950	1.0
339.12012	1.4
351.12271	3.8
368.12253	1.1
371.15009	2.7
383.14764	11.1
401.15836	15.4
506.68488	0.7
580.11475	1.4
598.38647	0.9
760.15204	1.6
760.27527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
53.26118	3.2
53.42018	2.8
55.01861	4.1
55.05499	10.5
61.02932	3.5
69.03432	17.8
74.03347	2.6
79.05473	4.3
81.03405	17.2
83.08606	10.0
85.02901	29.4
86.09684	3.4
87.00821	10.4
97.02893	10.5
98.22697	5.2
99.04412	5.9
102.29459	2.7
103.05466	11.0
105.01850	6.8
109.02860	16.0
127.03905	24.2
131.04916	38.9
133.02832	5.5
137.05980	15.3
145.04950	11.6
147.04457	3.6
149.05862	4.6
156.09352	6.1
159.02873	15.2
161.05962	4.2
162.06802	5.0
162.20195	3.2
163.07529	44.5
165.07043	4.1
165.09290	3.0
166.07732	4.3
169.10175	3.6
171.08109	6.1
171.11742	4.1
177.05540	4.0
179.08568	9.6
183.08070	5.9
184.07265	12.8
184.08890	9.9
186.06850	4.0
195.08067	9.1
195.11659	3.8
197.09567	14.9
199.07455	7.3
199.11143	16.4
209.09613	7.1
209.13264	7.2
211.07301	2.9
211.11154	8.4
212.08266	4.9
213.09146	3.4
213.12752	10.6
217.12302	3.6
221.13271	4.7
223.11221	7.4
227.10645	100.0
229.12216	9.7
231.04984	5.0
236.12109	3.8
237.12737	21.6
239.14236	31.6
240.11548	8.7
241.12189	13.3
254.12933	7.5
255.13815	7.3
269.18964	9.6
271.16797	5.4
279.17368	15.3
281.18939	21.8
296.82599	3.0
297.18472	85.4
298.18878	3.5
315.19452	3.9
354.32578	3.5
459.25119	9.8
477.26328	6.2
565.61798	3.8
725.30664	8.7
749.31042	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	760.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01854	4.4
55.05513	22.7
57.03429	19.8
65.03925	3.1
67.05499	83.6
67.86417	2.4
69.03419	5.7
69.07047	14.6
71.04971	5.1
73.02889	2.6
78.96696	2.3
79.05486	54.6
81.03411	92.2
81.07047	69.9
83.04954	7.3
83.08613	24.9
85.02879	3.2
85.06575	3.6
86.09713	4.0
91.05455	43.0
93.07035	58.7
95.04955	32.2
95.08598	54.7
97.02872	5.7
97.06516	7.2
97.10183	10.0
99.08070	3.3
105.04504	2.8
105.07021	30.8
107.04927	8.6
107.08580	28.8
109.06519	4.9
109.10139	23.0
111.08073	9.9
117.07014	10.7
119.08567	29.1
121.06504	6.4
121.10135	25.8
123.11687	7.3
125.09641	3.5
129.07002	13.4
131.08531	18.7
133.06453	5.2
133.10101	19.3
135.11674	14.1
142.07747	4.1
143.08582	3.4
145.10081	16.7
147.08029	3.9
147.11641	14.2
149.09627	7.0
149.13229	7.2
157.10114	13.1
159.11697	8.4
161.13258	6.1
163.11169	3.5
163.14804	4.4
165.12750	3.5
169.10101	3.7
173.13231	8.7
175.11157	8.8
175.14790	2.9
184.07320	9.4
187.14725	3.9
189.11209	4.9
193.12218	22.8
211.13272	4.4
227.12755	9.4
243.20966	5.1
261.22137	21.9
267.13098	5.5
267.15897	100.0
276.93799	3.1
285.22122	3.3
301.25198	5.7
309.17166	3.3
317.24469	4.5
333.30988	2.8
335.25763	97.0
336.26053	5.3
435.32361	7.2
453.33517	8.3
471.34692	4.1
527.37311	67.8
528.38141	3.7
545.30927	1.8
545.38293	47.9
546.38348	4.7
563.38641	7.1
760.43036	5.4
761.40411	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	760.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.01863	3.8
55.05503	30.1
57.03437	24.4
57.07070	3.9
60.08141	6.5
61.02911	6.2
65.03921	4.4
67.05501	86.3
69.03410	6.3
69.07060	20.4
69.21226	10.6
69.21603	4.4
71.04975	6.3
73.02886	2.2
73.04802	2.5
77.03925	2.3
79.05486	56.5
81.03412	100.0
81.07050	77.9
82.07374	3.3
83.04973	7.3
83.08620	27.5
85.02891	8.1
85.06532	4.5
85.78439	2.0
86.09706	21.9
91.05463	40.1
93.07038	59.4
95.04961	34.5
95.08601	50.7
95.35215	2.1
97.02888	5.3
97.06525	6.0
97.10157	8.3
98.22054	2.2
98.98478	2.7
105.04514	2.7
105.07024	32.6
107.04945	7.3
107.08572	36.4
109.06507	7.9
109.10150	23.4
111.08069	8.1
115.98912	2.4
117.07001	11.6
119.08569	27.9
121.06477	4.9
121.10126	27.9
123.08046	4.2
123.11664	7.3
124.99993	16.3
125.09634	4.3
129.06989	12.1
131.08553	24.3
132.66197	2.4
133.06483	5.0
133.10107	15.9
135.11664	12.1
135.62314	2.7
137.09583	4.1
143.08542	4.1
145.10080	15.1
147.07999	5.6
147.11633	12.0
149.09599	8.0
149.13246	8.2
157.10135	9.8
159.11671	7.8
161.13229	5.9
163.11179	3.8
163.14877	4.7
165.12718	3.1
171.11630	5.8
173.13239	7.8
175.11166	7.6
175.14778	2.9
184.07338	73.8
185.07597	2.5
185.13277	2.4
187.14719	4.4
189.11108	3.4
193.12209	22.2
211.13297	2.5
227.12735	5.2
235.13185	4.2
243.21016	6.0
249.14699	2.5
261.22113	17.7
265.14145	2.7
266.02570	2.1
267.15875	88.1
267.18762	4.3
301.25159	5.0
335.25781	80.2
336.26056	5.0
435.32477	9.1
453.33459	8.9
456.29193	2.6
458.29721	2.4
465.20627	2.1
466.21194	3.7
471.34341	3.7
527.37262	56.6
528.37445	4.4
545.38251	40.9
546.38409	4.6
563.38977	3.7
569.37848	2.6
710.42432	2.5
760.43054	62.1
761.29865	2.2
761.41089	20.9
772.79956	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85065	1.6
77.37970	2.0
83.79514	1.8
93.07069	2.3
94.06544	2.6
94.09428	1.5
95.60218	1.9
103.05488	2.0
108.08138	5.7
120.08089	15.6
122.05999	11.8
132.08102	3.0
136.07536	9.7
138.05431	2.2
144.04428	4.9
146.05984	3.7
148.07587	22.0
164.07043	3.0
166.08644	3.3
172.03923	17.5
180.10278	3.0
190.05054	8.5
204.06554	28.6
210.11491	1.9
211.08757	2.9
225.10220	7.4
227.11761	5.1
231.34369	2.1
233.10548	1.8
237.10182	7.5
238.10942	2.4
239.11766	3.3
248.09398	1.9
249.10182	5.2
250.10768	2.7
251.08183	2.6
251.11726	6.8
253.09656	5.5
255.11269	3.2
261.10214	2.4
263.11780	3.4
264.09033	2.5
265.09796	8.8
266.10605	2.6
267.11136	4.3
268.78522	1.8
269.12802	5.5
271.10666	6.6
278.10504	3.1
279.11145	10.7
281.09378	2.5
281.12701	2.5
283.10736	6.0
285.12259	2.0
287.13821	7.1
289.09735	5.8
291.11368	5.6
293.12708	3.6
294.09857	3.5
295.10760	4.8
297.12173	4.2
299.10193	2.0
306.09894	2.1
307.10672	4.2
309.12244	2.2
310.12958	2.3
311.10339	7.7
311.13794	3.4
312.11072	2.5
314.12927	2.2
323.10175	2.9
324.11276	2.2
325.11945	4.2
326.12738	2.7
327.13364	4.3
335.10114	5.7
337.12036	2.2
339.13406	44.7
340.10587	2.4
340.14325	2.4
342.12341	2.8
353.10605	1.9
354.12048	5.2
355.12906	12.2
356.13834	2.4
367.12775	11.6
370.15643	2.8
371.12180	3.4
398.14896	6.3
399.15616	11.2
404.15924	2.8
414.17972	2.7
416.15878	6.7
428.15869	2.0
430.17252	2.2
440.15994	2.1
442.17566	2.5
443.14447	8.3
446.16882	3.3
458.17014	6.4
474.19962	2.5
490.19205	3.5
521.21863	2.7
530.19305	3.0
534.22046	2.2
552.23163	4.3
559.95264	1.9
562.21802	6.0
588.92401	1.8
593.23492	3.9
594.24426	33.9
595.24628	3.7
597.57068	2.0
611.24908	5.5
638.23309	100.0
639.23108	6.1
653.25336	4.8
677.31860	2.3
685.28040	2.1
697.25006	24.1
729.26703	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	761.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83323	3.4
55.31762	3.2
62.67089	4.1
75.97799	4.3
76.79467	3.7
82.15621	3.3
89.45185	3.1
93.07027	3.4
94.06574	5.5
103.05436	4.6
108.08090	12.9
120.04453	5.2
120.08103	24.4
122.06038	6.0
136.07565	15.9
138.09076	3.3
144.04416	3.6
148.07567	54.8
152.07002	4.2
162.05505	4.0
164.07053	6.9
166.08672	3.7
172.03911	11.7
174.75633	3.3
190.05006	9.9
204.06534	12.4
212.09460	5.8
221.10609	3.9
225.10217	9.5
227.11772	9.5
233.10596	4.4
236.09500	5.7
237.10188	11.6
238.10947	7.9
239.11777	4.8
241.09682	10.8
249.10193	8.6
250.10974	6.3
251.08322	4.6
251.11772	10.0
252.08725	7.1
253.09671	15.0
255.11255	7.6
261.10123	5.1
263.08182	4.9
263.11722	4.3
265.09818	17.0
266.10272	3.9
267.11325	22.0
269.12885	11.2
271.10715	15.2
279.11148	16.4
281.09232	5.7
283.10767	9.7
287.13895	5.0
289.09738	6.5
291.11240	6.1
291.92059	3.7
293.09052	10.6
293.12134	3.5
294.09872	7.2
295.10818	8.2
297.12274	7.2
299.10379	8.4
300.11032	15.9
307.10727	9.3
309.12372	9.9
311.10349	8.2
311.13791	4.4
312.10696	6.8
314.12570	19.2
315.13367	25.3
323.10123	6.4
323.13727	4.5
325.11856	6.1
326.12460	6.4
327.13321	16.9
335.10449	6.8
339.13376	26.5
341.11301	4.5
343.12720	3.7
355.12729	11.3
365.11441	5.0
367.12823	19.0
398.14749	7.8
399.15799	6.6
411.11819	6.9
416.15921	4.9
446.16998	4.9
454.50610	4.1
458.16992	14.6
462.20313	6.6
472.18356	4.1
520.20148	7.3
530.18976	7.0
531.19257	8.8
562.21509	13.1
563.22052	7.2
566.21161	36.5
574.17963	8.8
593.24017	8.1
606.20734	100.0
607.21515	53.1
608.22028	8.1
611.24902	6.5
638.23254	19.4
639.23907	31.5
653.25824	6.2
655.23804	5.7
697.25128	46.6
761.38678	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	761.302
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55685	1.8
76.10748	0.9
79.05478	1.6
83.07715	1.1
93.07063	1.4
94.06551	3.2
94.77421	1.0
103.05459	2.6
108.04494	1.2
108.08093	3.8
120.04468	2.7
120.08093	13.5
122.06022	4.4
122.09713	1.4
134.05978	1.8
136.07550	7.4
138.09142	1.1
144.04431	1.4
146.06003	3.3
148.07556	25.2
150.09105	2.1
150.10269	1.0
152.07028	1.1
162.05576	1.1
164.07030	1.7
166.08559	1.6
172.03949	5.3
180.10298	1.0
186.09064	1.3
190.05017	5.1
202.73781	1.1
204.06532	7.7
209.10724	2.0
212.09406	2.3
221.10771	1.6
223.08604	1.6
223.12231	1.4
224.09435	2.2
225.10292	4.7
226.10927	1.6
227.11722	5.8
235.08615	1.4
236.09412	2.9
237.10167	6.0
238.10905	2.7
239.11758	4.4
241.09720	4.5
248.09395	1.3
249.10223	4.6
250.10986	1.6
251.08142	3.4
251.11668	7.2
252.08806	3.3
252.12424	1.3
253.09660	6.9
253.13394	1.5
255.11256	3.7
261.10242	3.0
262.11160	1.6
263.08133	1.2
263.11780	5.5
264.08823	2.4
265.09698	6.6
266.10519	2.4
267.11176	9.9
269.08948	1.1
269.12781	4.9
271.10788	6.2
277.09662	3.6
278.10443	3.3
279.07977	1.7
279.11230	10.6
280.12045	2.2
281.09393	1.5
281.12866	3.3
283.10706	5.9
284.11618	1.7
285.12323	3.0
287.13846	4.3
289.09659	6.8
291.11194	5.3
293.09161	2.9
293.12677	2.3
294.09772	3.2
295.10791	3.2
296.11444	2.6
297.12332	3.7
299.10361	2.0
300.11032	3.4
305.12741	1.4
307.10803	4.8
309.12247	3.3
311.10168	5.0
311.13809	2.5
312.11002	3.4
313.11758	2.5
314.12616	3.6
315.13388	9.0
316.14651	1.3
321.12219	1.2
323.10248	2.9
323.13681	2.7
324.11145	1.7
325.11859	4.5
326.12643	3.3
327.13354	7.3
330.16193	1.2
335.10242	7.9
339.10355	1.3
339.13351	31.7
340.10333	1.9
340.13937	1.8
341.11313	1.1
342.12231	1.8
344.13815	1.4
352.14279	1.2
354.11963	4.3
355.12933	12.4
356.13654	1.9
357.14572	2.1
359.12393	1.5
365.11435	1.8
367.12854	18.2
368.13104	1.3
370.15405	1.8
372.16910	1.3
384.17267	1.4
385.13919	3.0
397.14673	1.3
398.14777	3.3
399.15784	5.8
400.16199	1.8
404.15634	2.0
411.11722	5.3
414.18082	1.7
416.16086	4.6
428.16086	1.8
440.15857	2.0
446.16980	3.1
458.16953	6.6
460.19232	1.1
462.20300	2.6
474.20099	1.3
502.19711	2.2
520.20575	2.6
521.22021	1.1
530.19153	2.2
534.22107	1.2
552.31708	1.2
552.55750	1.2
562.21729	11.4
563.21875	2.3
566.21246	9.4
574.18109	8.3
578.21271	1.3
593.23737	3.9
594.24408	1.3
606.20758	100.0
607.21362	23.6
608.21722	2.3
611.24524	4.7
624.20801	1.3
638.23755	6.3
639.24518	5.7
653.25916	5.7
657.30188	2.2
679.23682	1.6
697.24976	24.4
698.25323	2.4
729.27081	1.8
761.37463	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	761.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29760	0.8
56.96555	1.1
71.41256	0.9
73.58580	0.8
79.05482	0.9
81.22226	0.9
91.74934	1.0
93.07042	1.5
94.06576	1.4
96.08161	1.2
103.05457	1.5
108.08107	4.2
110.09690	1.2
113.24681	0.9
120.04481	3.2
120.08107	7.9
122.06013	4.2
136.07587	6.7
138.09135	2.0
146.05992	4.0
148.07561	14.3
150.09154	1.5
152.07114	1.8
161.64119	0.8
163.03909	1.0
164.07062	1.5
166.08633	2.8
167.06995	1.1
172.03955	2.0
190.05023	2.7
194.08130	1.4
204.06537	3.0
209.10847	1.5
212.09528	1.0
225.10274	2.4
227.11772	2.8
232.06010	1.0
237.10138	5.0
238.11008	1.0
239.11636	2.4
241.09732	1.9
248.09230	0.9
249.10136	4.4
250.10997	1.4
251.07973	2.2
251.11818	4.9
252.08852	1.2
252.12549	1.1
253.09732	4.1
255.11261	3.7
261.10233	2.6
262.10696	1.0
263.11777	6.9
265.09705	6.4
266.10175	1.7
267.11301	5.5
268.11960	1.4
269.12796	1.4
271.10803	1.5
274.12823	1.0
277.09726	3.3
278.10486	2.8
279.08289	1.3
279.11255	7.7
280.12088	1.8
281.09222	1.5
281.12845	2.4
283.10727	3.8
289.09790	5.0
290.10443	1.4
291.11084	5.2
293.09375	2.0
293.12912	3.1
294.09866	4.0
295.10864	4.3
296.11465	1.7
297.12238	1.1
305.09088	2.0
306.09882	1.4
307.10709	3.5
308.11566	1.7
309.12250	3.1
311.10233	5.3
311.13931	2.7
312.10852	2.2
314.12344	1.2
315.13281	1.2
317.09161	2.0
323.10300	1.1
323.13837	2.9
324.11087	2.1
325.11871	2.6
326.12592	3.9
327.13242	4.5
333.12402	0.9
335.10214	9.6
336.10727	0.9
339.09882	1.3
339.13361	31.9
340.10336	1.5
340.13953	1.2
349.12155	1.3
351.13583	1.2
352.10400	1.3
354.12051	6.0
354.15881	1.2
355.12848	9.0
355.17035	1.2
358.15564	1.2
367.12900	18.6
368.17496	1.4
385.13882	1.1
398.14423	1.4
399.15305	1.8
411.11990	2.0
414.18079	1.5
442.17496	1.8
458.16565	1.4
470.17392	1.3
474.20547	2.2
482.91769	1.0
502.19662	1.6
520.20599	2.4
521.21039	1.5
530.19775	4.3
531.19666	4.8
534.21948	2.3
537.23560	1.1
546.17944	1.1
562.21729	11.6
563.22101	1.2
566.20453	1.8
574.18079	9.3
578.20624	2.7
606.20789	100.0
607.20972	9.8
624.21570	1.5
638.23743	6.3
639.23615	1.3
697.24554	3.2
717.30939	1.1
737.05420	1.3
761.30627	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	761.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.1
79.05474	1.3
81.07047	1.5
85.69632	1.0
93.07064	1.4
95.08615	2.1
98.23448	2.6
109.10139	1.2
121.10113	1.8
188.41052	1.1
206.63449	1.1
235.82912	1.2
307.58945	1.3
546.38647	1.7
761.38586	100.0
762.39105	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	761.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
61.02925	0.8
63.02332	0.6
67.05495	1.8
71.43297	0.9
73.54097	0.6
74.64708	0.6
76.10327	0.7
79.05465	0.9
79.18359	0.6
81.07039	1.6
82.66279	0.7
93.07029	1.3
95.08604	1.3
97.44426	0.6
121.10113	0.9
122.67507	0.7
184.07362	1.2
235.22012	0.6
286.17117	0.7
335.25836	0.9
336.25861	0.8
402.03131	0.7
425.60489	0.8
528.04102	0.7
535.26392	1.2
537.36328	0.7
761.38690	100.0
762.39063	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	761.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70828	1.1
67.05499	3.0
69.07089	1.2
71.08702	1.8
75.64249	1.0
79.05500	1.3
81.07059	2.5
93.07049	1.3
95.08601	2.1
95.79808	0.9
105.36226	1.0
119.08582	1.5
132.23117	1.0
159.82211	0.9
169.70685	1.0
306.62039	1.1
324.49640	1.1
336.26294	1.5
472.36404	1.1
535.26965	1.7
542.99323	1.1
727.08716	1.1
761.38586	100.0
762.38660	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	761.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01868	1.0
55.05508	1.9
57.03439	2.0
59.05003	0.6
61.02927	5.1
67.05495	3.2
69.03426	3.8
69.07074	1.2
71.04978	0.7
73.02913	3.8
79.05486	4.5
81.03408	2.6
81.07053	3.2
83.01335	0.4
83.04984	1.1
83.08631	0.9
85.02888	5.0
87.04465	0.6
91.03959	2.8
91.05476	3.2
93.07047	5.0
95.04964	1.2
95.08630	1.6
97.02885	4.6
97.06551	0.8
99.04438	0.7
101.02382	1.8
105.07031	3.0
107.04936	0.7
107.08574	2.8
109.02884	0.8
109.06524	0.7
109.10153	0.6
115.03940	0.4
117.07031	1.2
119.08584	1.9
121.10169	1.8
123.08108	1.1
127.03900	1.1
129.07068	0.5
131.08597	0.9
133.10147	1.5
135.08095	0.5
135.11702	2.0
145.05081	0.4
145.06441	0.4
145.10155	1.8
147.08018	0.4
147.11690	0.8
149.13245	0.6
159.11745	0.6
161.13304	0.5
162.87820	0.4
163.11198	1.6
173.13341	0.4
184.07301	0.9
185.04230	0.7
227.28189	0.4
241.06671	0.4
243.08398	3.2
249.11162	0.5
259.20709	0.5
301.08972	1.3
315.10495	0.5
317.21109	0.7
439.19510	0.4
465.21152	1.2
467.18848	9.6
469.20798	0.5
535.28772	3.8
537.22809	0.6
539.21259	0.5
599.36029	0.4
761.40704	100.0
762.41113	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	761.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05506	1.7
57.03422	1.4
60.88898	0.4
61.02922	3.8
66.05125	0.4
67.05497	5.1
68.20415	0.5
69.03426	3.4
69.07059	2.3
71.04996	0.6
73.02898	2.4
75.62746	0.4
77.39001	0.4
79.05479	3.6
81.03406	2.2
81.07054	6.5
83.08612	1.8
85.02897	4.5
86.09704	0.8
91.03949	2.7
91.05495	1.8
93.07029	5.3
95.04965	0.9
95.08614	1.6
97.02885	3.9
97.06567	0.9
97.10176	0.7
98.23445	0.9
99.04469	0.6
101.02394	1.4
105.07027	1.2
107.04974	0.6
107.08591	2.9
109.02882	0.7
109.10144	0.8
111.08089	0.6
117.06997	0.7
119.08590	1.1
121.10168	1.7
125.09667	0.7
127.03895	0.5
131.08598	1.5
133.10147	0.5
135.11674	0.7
149.13255	2.7
159.11693	0.6
184.07381	1.6
185.04254	0.8
203.05211	0.6
223.13293	0.8
235.13206	0.5
243.08342	3.2
270.17807	0.4
273.18921	0.4
291.15933	0.6
291.19641	1.5
301.08948	0.4
331.18796	1.9
334.25949	0.5
381.74329	0.5
401.28116	0.4
450.10233	0.5
453.20901	11.8
453.26825	0.7
464.31235	0.5
549.26678	3.8
645.51141	0.5
761.40680	100.0
762.41064	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	761.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01865	0.6
55.05505	2.1
57.03433	1.9
61.02927	4.5
67.05502	6.0
67.92268	0.4
69.03424	3.3
69.07059	2.5
69.67741	1.2
69.68093	0.6
71.01357	0.6
71.04986	0.6
73.02909	3.5
79.05484	4.0
81.03396	1.8
81.07048	8.2
81.07507	0.6
83.04984	0.9
83.08611	1.4
83.35450	0.3
85.02891	4.1
85.06545	0.4
87.04476	0.4
91.03958	2.6
91.05451	2.8
93.07040	4.5
95.04970	1.1
95.08604	1.8
97.02889	4.7
97.06531	1.0
97.10181	1.0
99.04464	0.7
101.02391	1.5
105.07020	2.1
107.08586	3.0
109.02882	0.5
109.10165	1.2
117.07036	1.2
118.91731	0.3
119.08557	1.1
119.80301	0.3
121.10146	1.1
123.08041	0.4
125.09608	0.4
127.03926	1.2
131.08589	1.2
133.10153	1.7
133.42253	0.3
135.08058	0.5
135.11729	0.8
145.04982	0.4
147.11748	0.4
149.13275	1.3
151.11285	0.6
153.94403	0.4
159.11720	1.0
176.93805	0.4
185.04234	0.7
195.13770	0.8
223.13278	0.8
235.13129	1.1
241.18338	0.3
243.08337	2.4
269.17361	0.4
291.15802	0.4
291.19653	0.8
331.19016	1.5
422.03104	0.4
439.85797	0.4
453.20932	9.9
453.26859	0.7
454.21085	0.6
470.84964	0.4
496.25760	0.4
549.26636	4.1
761.40704	100.0
762.27863	0.8
762.41046	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	761.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01866	0.8
55.05507	1.6
57.03431	1.3
59.23350	0.5
61.02925	4.0
65.30272	0.4
67.05498	3.2
69.03413	2.5
69.07065	2.4
70.48563	0.7
73.02914	2.5
79.05482	2.7
81.03407	2.8
81.07043	3.9
83.04976	1.1
83.08624	0.8
85.02893	3.7
86.09686	0.8
86.58612	0.4
90.66003	0.4
91.03962	2.3
91.05460	3.2
93.07034	2.9
95.01305	0.8
95.04970	1.0
95.08602	2.1
97.02870	2.9
97.06538	0.9
99.04451	0.6
101.02400	1.8
104.10681	0.5
105.07030	3.9
107.04958	1.1
107.08597	1.7
109.02895	0.5
109.10146	0.6
110.35517	0.5
117.07011	0.8
119.08554	2.3
121.10137	1.1
121.61061	0.4
127.03915	1.1
129.07007	0.8
130.75394	0.5
131.08617	1.3
133.10112	2.8
135.11739	0.5
135.19423	0.4
140.92017	0.4
145.10086	1.1
147.11684	1.4
149.09665	1.0
157.10097	0.9
175.11221	0.5
179.14262	0.6
184.07372	1.7
185.04207	0.5
193.12367	0.7
243.08318	2.2
251.12517	0.9
275.20264	0.6
299.07037	0.6
315.19287	2.7
352.08118	0.4
371.22131	1.0
469.20413	5.7
533.27136	6.8
535.27606	0.5
605.87860	0.5
647.35339	0.5
711.35333	0.6
736.44482	0.5
761.40735	100.0
762.40985	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	761.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.9
57.03426	3.1
59.78107	1.7
61.02918	5.1
67.05495	7.2
69.03425	5.1
69.07092	2.7
73.02917	6.4
73.13006	1.5
79.05492	6.4
81.03434	2.4
81.07031	9.8
83.08630	1.9
85.02889	4.6
86.09696	2.5
91.03957	2.5
91.05482	4.7
92.57822	1.6
93.07042	6.8
95.04981	2.4
95.08607	5.6
97.02897	5.7
101.02434	1.7
105.07005	2.5
107.08639	4.0
108.08829	1.8
109.02851	1.8
109.10141	3.4
117.07002	2.6
119.08603	2.0
121.10171	3.4
124.61189	1.4
124.99999	5.4
133.05521	1.5
133.10150	2.8
135.11658	1.6
147.11670	1.8
154.66484	1.6
184.07317	16.8
201.05396	1.7
285.17044	2.8
335.25836	2.1
519.29126	8.2
546.39069	1.9
615.45081	1.9
761.40662	100.0
762.40656	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	762.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83227	2.0
56.98853	2.0
57.41082	2.2
70.69846	5.2
86.72054	2.4
89.47275	2.1
89.56777	2.6
107.04938	6.4
117.02564	2.4
123.00797	5.7
123.04437	2.5
137.02316	4.6
141.07011	3.7
150.42558	2.7
152.06268	2.4
164.98174	2.3
165.06976	11.6
169.06544	4.2
179.04958	6.2
181.06509	4.8
187.03841	4.0
193.06453	9.8
194.84662	2.1
197.05923	16.8
202.99118	2.2
203.03426	4.1
205.06487	7.8
207.04355	9.6
209.05937	5.2
211.07477	6.4
213.05418	5.0
215.03195	2.5
215.07037	6.9
221.05988	52.3
223.07521	12.7
225.05452	44.8
226.06166	2.9
227.07089	2.5
228.04292	2.3
229.05048	4.5
233.05980	4.8
235.03862	9.0
237.05499	7.4
239.03395	2.5
239.07050	15.9
241.05066	4.4
242.05647	5.7
243.06531	19.6
249.05457	60.2
250.06056	3.4
251.06973	12.2
252.04214	5.3
253.04936	66.3
254.05620	6.6
255.06529	18.1
256.03574	2.9
257.04379	3.8
258.05276	3.6
259.06247	2.3
263.03351	8.6
265.05063	6.9
267.06519	35.1
269.04489	11.2
270.05002	3.3
271.05991	31.8
277.04974	43.2
278.05600	4.4
279.06500	4.8
281.01401	4.4
281.04437	64.4
282.05081	10.6
283.06067	3.3
284.03137	8.7
285.07498	4.4
287.05472	3.7
289.07132	5.5
295.06012	100.0
296.06351	5.4
297.03979	6.9
297.07587	7.9
299.05496	39.0
309.03806	14.0
313.07034	52.4
317.06702	5.6
321.03894	7.0
323.05457	74.7
324.05487	2.7
325.07120	7.0
327.04950	4.5
329.06549	6.9
331.08182	13.0
333.67203	2.4
341.06561	70.5
342.06787	3.3
345.06149	8.4
347.07507	9.6
359.07611	50.8
377.08511	7.5
387.07166	13.5
529.09088	3.7
593.10645	4.0
621.10852	4.2
625.13593	3.0
653.12842	25.9
654.13019	4.3
663.11298	5.9
671.13934	4.6
681.12408	41.2
682.11737	4.7
699.13110	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	762.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
63.65907	1.3
69.30175	1.6
70.20859	1.5
70.69828	3.1
74.27295	1.5
82.64235	1.6
95.01334	1.4
102.07141	1.6
111.04440	3.1
122.75903	1.6
123.00801	4.3
123.04431	2.5
126.66970	1.4
133.70349	1.6
135.04402	2.3
137.02325	7.4
139.03918	2.8
139.30515	1.4
141.07010	2.4
147.04337	1.9
153.06995	3.5
157.02859	1.9
165.06992	14.6
169.06482	4.7
175.03915	1.6
181.06519	4.3
187.03931	5.7
193.06480	10.1
197.05963	17.1
198.06416	1.6
203.03358	1.9
205.06480	3.6
207.04323	3.8
209.06050	2.9
211.07457	7.6
213.01918	3.6
213.05452	2.7
214.06262	2.9
215.07076	5.1
221.05962	50.0
221.08087	2.6
222.06317	2.7
223.07527	4.5
225.05441	32.1
228.04036	1.7
229.04916	2.6
231.02835	2.5
235.03848	2.2
237.05347	4.2
239.06956	11.5
241.04984	4.7
242.05687	7.7
243.06494	13.1
249.05463	55.5
250.06110	4.9
251.07018	3.6
253.04935	37.6
254.05533	3.4
255.06561	6.4
256.03741	2.2
257.04440	4.5
259.06198	2.2
265.04950	3.1
266.05637	1.8
267.06512	23.6
269.04510	4.4
270.05179	17.7
271.05939	17.6
277.04944	40.5
278.05649	4.2
279.06494	3.1
281.04410	21.2
282.05215	3.1
285.07571	4.2
293.04510	2.1
295.05994	100.0
296.06378	5.5
297.07623	5.0
299.05527	8.1
309.03992	3.5
311.05701	2.2
313.07022	37.7
314.07294	2.2
317.06519	4.2
321.03891	3.4
323.05466	60.9
324.05899	3.3
327.05011	5.6
329.06366	2.4
331.08167	6.4
341.06488	15.4
345.06073	6.6
359.07623	37.4
369.05945	1.6
377.08771	7.3
387.07117	32.4
405.08151	5.3
463.10568	2.1
491.09662	2.9
529.08435	1.9
589.09686	1.9
625.12891	2.6
653.12152	2.8
657.12756	2.4
671.13586	5.3
681.11749	2.6
699.12799	5.5
713.12402	1.8
717.13861	5.1
727.12714	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	762.166
Annotation	Unknow
Peak:m/z	Relative Intensity
107.04967	2.4
118.39714	0.9
123.00770	4.7
123.04401	1.4
131.04884	1.3
137.02312	6.9
141.07011	1.2
147.04420	2.0
149.02425	0.8
157.02869	1.0
159.04463	1.5
161.06020	0.9
163.03937	2.5
165.06982	12.6
169.06560	4.4
171.04301	0.9
175.03911	1.0
177.07060	2.1
181.05106	0.9
181.06403	4.3
183.08058	1.1
187.03856	5.3
187.07529	1.5
193.06467	8.8
195.08093	0.9
197.05965	11.6
199.07481	1.0
203.03378	1.5
205.06511	3.0
207.04410	3.2
209.04285	0.9
209.06056	2.5
211.07484	4.2
213.01868	3.2
213.05550	1.6
214.06158	1.1
215.07007	4.7
221.05948	40.5
222.06351	1.5
223.07535	3.7
224.04770	1.0
225.05440	27.3
226.05965	1.4
229.04922	2.1
231.02708	1.4
233.05951	1.9
233.18640	0.9
235.03925	2.9
237.05345	5.7
239.07024	11.0
241.05000	2.8
242.05771	6.3
243.06512	13.8
249.05466	49.5
250.06049	4.2
251.07033	2.9
253.04927	31.3
254.05591	1.8
255.06500	7.0
256.03760	2.0
257.04413	4.2
259.03793	1.7
263.03354	3.0
265.04990	2.7
266.05682	1.5
267.06503	20.7
269.04550	3.8
270.05228	15.3
271.05957	19.7
272.06757	0.9
277.01910	1.9
277.04932	35.6
278.05499	3.8
279.06454	3.1
281.04413	21.3
282.05005	2.0
283.05771	1.7
284.03094	1.4
285.07547	3.8
289.07028	2.4
291.02759	1.2
293.04453	2.7
294.05209	1.6
295.05994	100.0
296.06436	2.7
297.04132	1.3
297.07520	3.9
299.05490	10.6
305.04410	2.2
309.04019	4.0
311.05560	1.8
313.07010	33.2
314.07449	1.4
317.06567	4.4
321.03952	3.0
323.05466	56.3
324.05777	2.1
325.07080	1.8
327.04834	4.0
329.06601	1.9
331.08142	6.7
341.06549	18.4
345.05966	6.5
347.07870	2.0
355.04596	1.3
359.07574	33.4
360.08099	1.7
369.05997	3.6
375.07660	0.9
377.08630	5.3
387.07062	30.6
398.08353	0.9
405.08020	5.2
473.09348	1.0
503.11792	1.1
519.10297	1.4
537.11609	1.0
589.10840	1.1
607.11768	1.9
611.11768	1.5
625.13129	1.8
649.09375	1.2
653.12134	2.5
657.11871	3.4
671.14020	3.8
699.13397	8.4
717.14417	3.8
727.12335	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01873	5.8
55.05515	3.9
57.03432	7.2
61.02921	4.2
67.05483	3.2
68.99783	3.8
69.03428	27.8
69.07053	3.0
70.55601	3.5
71.04994	3.7
71.49632	1.6
73.02906	6.8
73.16823	1.8
77.35429	1.7
79.05474	1.9
81.03408	28.1
81.07072	4.6
83.01300	1.8
83.08595	3.7
85.02892	63.5
87.00819	23.2
91.05473	5.9
95.04964	3.7
95.08613	5.4
97.02879	15.2
99.04449	10.4
99.68479	1.6
103.03958	2.0
103.05457	25.7
105.01854	16.2
105.07034	2.7
107.04907	2.2
107.08582	2.1
109.02872	29.5
109.10151	3.0
112.35609	1.6
117.01835	4.0
117.06980	1.8
119.04921	6.2
119.08542	3.1
121.06512	4.0
123.11719	5.6
127.03899	53.3
129.01822	3.3
129.07004	2.3
131.04912	74.3
133.02832	2.5
133.06468	2.0
135.04440	2.3
135.08119	2.4
137.05954	61.8
137.07007	3.4
145.04930	21.3
145.06491	3.2
147.02888	5.9
147.04358	10.3
147.07996	2.0
147.11577	1.7
149.05963	15.0
150.06792	7.9
151.07518	17.1
157.06479	2.9
158.07172	1.8
159.02881	18.9
159.08058	3.6
159.11710	2.3
161.05992	8.7
162.06693	9.1
163.07524	74.1
164.07791	2.6
165.09100	7.8
169.10185	2.4
171.07938	2.7
172.08762	1.7
173.06020	2.2
173.09578	3.0
175.07559	6.2
175.11131	12.9
177.05438	2.9
177.09106	7.4
179.10722	2.5
181.08597	5.2
183.08066	2.9
184.07339	2.2
185.09558	2.6
187.07529	4.4
187.11142	6.1
189.03944	3.6
189.09207	2.3
191.07016	7.7
191.10626	15.0
197.09595	4.2
199.07503	2.2
199.11227	3.5
201.09117	7.3
203.10641	6.0
205.12236	6.9
211.11302	2.2
213.03908	4.0
213.12740	2.9
215.07112	1.9
215.10654	13.0
217.12161	4.2
228.11546	1.7
229.12238	5.6
231.04988	14.6
231.13846	2.8
233.08023	2.3
239.14348	5.7
241.12349	3.2
241.15839	4.1
243.13847	7.1
255.13771	2.8
256.14511	3.6
257.15341	27.7
261.33456	1.9
269.08078	2.9
270.16046	1.9
281.18979	9.0
285.15024	1.8
299.20007	100.0
300.20200	2.5
311.19913	5.9
313.14407	10.8
325.14310	5.0
343.15274	13.1
345.14847	2.1
353.17545	2.3
365.17365	2.4
383.18399	4.9
429.23898	2.3
447.25717	2.1
449.26828	8.1
461.26721	13.6
477.26047	6.3
479.27802	11.3
500.88586	1.9
591.20898	3.1
631.23541	2.9
727.33228	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	763.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
57.03431	1.0
60.08162	1.2
61.02916	2.3
62.82020	0.4
67.05501	2.2
69.03423	1.3
69.07066	0.8
69.73253	0.4
70.00085	1.1
70.66735	0.4
71.05006	0.5
73.02914	1.8
77.44362	0.4
79.05486	1.2
79.79422	0.4
81.03413	1.2
81.07047	1.8
85.02890	2.1
86.09689	6.9
87.10036	1.0
87.58421	0.4
91.03950	1.0
91.05479	1.2
93.07043	1.7
95.08618	1.1
97.02894	1.9
97.06522	0.7
98.23473	0.9
101.02386	1.2
101.42897	0.4
107.08607	0.9
109.02854	0.6
112.80014	0.4
119.08637	0.5
121.10148	0.8
124.99976	5.7
127.03915	0.6
133.10194	0.5
135.11671	1.0
136.60910	0.5
145.10164	0.6
149.09860	0.4
154.32123	0.4
163.11189	0.7
184.07329	23.9
185.07710	3.2
233.31136	0.5
243.08359	0.7
374.02634	0.6
467.18976	1.8
485.18692	1.4
519.29132	2.7
562.91101	0.5
713.46130	1.4
745.41241	3.3
763.40631	100.0
764.40906	10.4
781.26074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
53.25893	0.4
55.01844	0.5
55.05510	1.9
55.62861	0.3
57.03430	1.7
57.08333	0.4
61.02917	3.3
65.03923	0.4
66.12251	0.3
67.05501	5.1
69.03418	2.7
69.07072	2.1
69.11102	0.7
69.11504	2.4
71.01373	0.6
71.04980	0.6
73.02906	2.7
79.05486	4.3
79.05904	0.6
81.03416	1.4
81.07047	5.8
83.04988	0.6
83.08610	1.2
85.02894	3.6
91.03946	2.3
91.05476	2.1
93.07039	4.1
95.04971	1.3
95.08606	2.0
95.91277	0.3
97.02881	3.5
97.06535	1.3
99.04452	0.7
101.02362	1.6
105.07049	1.2
107.04977	0.5
107.08584	2.9
109.02884	1.1
109.06511	0.5
109.10136	0.4
111.08095	0.4
117.07011	0.8
119.08597	1.1
121.10171	1.0
126.38277	0.3
127.03935	1.0
129.06992	0.5
131.08595	1.1
133.10194	1.2
135.11710	0.9
145.10101	0.3
147.11708	0.5
149.13306	2.0
157.10144	0.3
159.11714	1.3
184.07382	0.6
185.04286	0.5
191.29430	0.4
195.13866	0.6
203.05244	0.5
235.13115	0.8
243.08382	2.9
301.09146	0.6
333.20435	1.8
439.19403	0.4
453.20926	10.0
454.22116	0.4
454.53006	0.4
469.20428	1.6
551.28375	3.8
735.84039	0.4
763.42273	100.0
764.42603	8.0
771.83331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.9
61.02909	3.6
67.05509	2.9
69.03426	2.6
69.06557	9.9
69.06985	3.3
73.02935	3.0
79.05505	5.6
81.07072	4.7
85.02930	3.9
91.03970	3.5
91.05486	4.5
93.07031	3.9
95.08607	3.6
97.02880	3.6
98.23472	2.5
101.02376	2.3
104.10748	3.9
105.07032	3.2
106.24246	1.9
107.08617	2.3
132.51796	1.7
133.10109	1.8
147.11769	1.9
170.82408	1.9
170.83998	1.7
203.05446	1.7
234.88113	1.6
243.08447	3.4
251.12907	1.9
278.64404	1.8
396.77679	1.7
469.20596	3.6
472.44620	1.9
535.29016	5.8
541.23279	1.9
582.97510	2.0
763.42285	100.0
764.43109	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	763.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
57.03441	1.4
61.02919	4.5
67.05492	5.1
67.50729	0.4
69.03426	2.5
69.07063	2.2
69.60392	0.5
70.60596	0.6
72.91956	0.4
73.02908	3.0
79.05494	3.5
80.86958	0.5
81.03425	1.4
81.07050	6.4
83.08599	0.7
85.02905	3.6
91.03953	2.9
91.05493	3.1
93.07041	4.5
95.04986	1.3
95.08601	2.4
97.02884	3.9
97.06520	0.9
99.04463	0.8
101.02364	2.3
105.07037	1.7
107.08612	1.8
109.02886	0.5
109.10178	0.7
111.08167	0.5
117.07019	0.5
119.08591	1.4
121.10144	1.1
127.03908	0.9
130.00012	0.4
131.08609	1.3
133.10114	1.3
135.11703	1.2
145.10211	0.8
149.13254	1.5
159.11697	0.6
184.07292	0.5
185.04300	0.8
230.86356	0.5
235.13078	1.2
243.08348	3.0
269.17542	0.7
333.20480	1.5
439.19485	0.8
453.20898	8.4
536.29242	0.6
551.28186	4.6
665.34802	2.6
763.42194	100.0
764.29846	0.7
764.42651	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	763.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
55.89531	0.8
57.03434	2.3
61.02916	4.4
62.41706	0.7
67.05502	4.5
69.03429	3.5
69.07049	1.6
71.42990	0.8
73.02924	3.8
79.05486	2.9
81.03417	1.5
81.07048	4.2
85.02904	3.7
91.03954	2.7
91.05472	1.8
93.07027	4.1
95.08621	3.0
96.85148	0.9
97.02885	4.2
101.02402	2.3
107.08569	1.2
108.45966	1.3
109.02956	0.8
119.08592	0.9
121.10115	1.4
124.25685	0.9
127.03920	1.2
131.08546	1.2
133.10095	1.4
135.11763	1.4
145.05081	0.9
153.65579	0.8
178.00803	0.8
185.04327	1.4
243.08391	2.3
354.54315	0.9
389.81680	0.9
469.20584	4.9
485.20203	1.9
511.83981	0.9
519.29443	2.5
535.28632	2.4
763.42212	100.0
764.41998	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	763.459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01871	0.5
55.05507	1.1
56.07562	0.2
57.03432	2.1
57.07085	0.3
61.02919	5.6
67.05496	4.6
69.03417	3.1
69.07069	1.0
69.35009	1.5
71.01358	0.4
71.04989	2.3
73.02906	4.5
73.03284	0.3
79.05479	3.3
81.03423	1.4
81.07046	5.9
81.07495	0.4
83.08627	0.9
85.02895	4.9
85.06547	0.3
87.04475	0.7
91.03941	3.3
91.04436	0.4
91.05465	2.8
93.07040	3.5
95.04981	0.9
95.08583	3.4
97.02885	4.6
97.03485	0.3
97.06554	0.3
99.04469	0.7
101.02361	2.0
103.03946	0.4
105.07006	1.3
107.08604	1.5
109.02908	0.6
109.10133	1.4
115.03962	0.4
117.06999	0.4
119.08566	0.6
121.10123	1.3
123.11728	0.9
127.03866	1.8
131.08585	1.0
133.10114	1.6
135.11685	0.9
145.10126	0.5
149.13260	0.6
151.11191	0.3
159.11650	0.6
183.13937	0.3
185.04280	0.4
187.13231	0.3
203.05380	0.3
243.08360	1.9
257.17371	0.3
267.15564	1.6
333.15125	0.4
335.25888	0.6
343.97476	0.3
485.23602	4.0
502.84619	0.3
519.29248	8.1
520.29517	0.5
763.45880	100.0
764.46307	9.9
764.57220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73400	1.5
64.65668	1.7
65.03950	2.2
68.99777	4.0
69.34196	7.4
78.44067	1.5
81.03399	1.8
86.61793	1.5
91.05452	1.9
93.03388	4.6
107.04947	3.7
111.04445	8.8
121.02865	9.0
123.04407	4.3
123.05275	1.4
125.05952	1.8
135.04428	8.4
137.02339	10.3
137.06001	2.2
139.03889	14.7
147.46523	1.4
149.02330	8.7
153.05463	2.9
163.03909	5.2
169.04962	2.7
175.03851	1.4
177.01849	14.9
181.04936	17.1
195.02881	2.6
197.06024	1.3
205.06473	2.7
209.04391	15.3
211.05933	2.1
213.01857	2.0
221.06001	4.5
223.07538	3.5
231.02950	6.8
233.06059	2.2
239.06964	3.3
249.05484	8.6
251.07100	4.1
261.05411	2.1
263.07126	1.7
267.06363	3.7
269.04456	5.6
269.08078	4.1
277.04929	6.8
281.04242	2.5
289.04880	1.5
295.05896	16.7
297.08936	1.5
302.17810	1.3
310.91547	1.4
313.07114	2.0
321.03885	5.9
323.05444	18.3
325.08475	4.0
336.51761	1.4
337.08463	1.8
341.06638	4.8
343.09579	2.3
353.08078	6.5
359.09052	3.2
369.07376	4.1
371.09131	9.8
381.07474	8.0
387.08575	3.6
397.07071	3.9
399.08597	24.1
400.09192	2.8
401.10056	2.1
404.08868	1.6
415.08224	2.8
425.06247	1.7
427.07840	3.2
429.11044	1.4
433.09024	1.8
443.07422	8.2
445.09076	9.8
447.10242	2.3
457.08920	1.6
461.08539	14.4
463.10098	1.5
475.10110	3.7
489.08115	21.1
493.11026	5.2
521.10748	100.0
522.11328	8.1
549.10358	2.0
710.35205	1.6
758.22058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95115	0.6
65.00802	0.6
65.03931	8.4
65.64184	0.6
66.46864	0.6
70.67160	1.4
71.36818	0.6
72.06995	0.7
74.06069	0.7
79.05473	1.4
89.03911	1.2
91.05460	6.2
91.73593	0.7
93.03391	15.9
93.72462	0.8
95.04963	0.7
107.04951	15.2
109.06520	0.9
111.04430	48.6
119.04945	3.1
121.02811	1.7
123.04355	0.8
135.04404	54.0
137.02345	4.4
137.05978	2.8
139.03886	98.5
140.04222	1.3
149.02344	5.9
153.05446	1.0
159.04361	1.1
163.03885	18.7
165.06979	5.5
169.06471	1.1
177.01790	0.9
177.05539	0.8
177.06950	1.5
181.04938	77.3
182.05304	1.9
183.08037	0.9
187.03914	3.0
193.06412	4.9
197.06017	2.4
203.03401	7.2
205.04843	1.1
205.06522	4.1
206.90703	0.7
209.04462	3.1
211.07562	3.2
213.01779	2.7
221.05949	22.0
222.06239	0.9
223.07613	3.7
225.05453	8.8
231.02831	6.1
233.06001	3.1
239.07002	9.1
249.05435	26.0
250.06194	1.9
251.07047	5.4
252.04239	3.0
253.04921	9.1
255.06451	4.2
256.07370	1.2
259.03937	1.1
261.05524	1.6
262.11429	0.7
266.05661	1.0
267.06534	14.4
268.07129	0.8
269.04395	1.8
271.05969	2.9
277.04916	23.5
278.05585	2.4
279.06491	7.2
281.04449	10.4
284.03162	0.9
285.07452	1.4
295.05975	67.8
296.06299	3.5
297.07443	3.0
299.08951	0.8
305.04373	4.2
313.07068	7.8
319.07922	1.0
323.05450	100.0
324.05765	4.9
325.07025	2.2
341.06558	7.3
365.06464	2.4
393.06039	1.3
411.07108	1.8
447.10550	1.8
475.09540	0.9
493.11295	5.4
521.10736	25.8
522.10938	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67649	0.7
65.03937	4.0
67.21688	0.7
68.99779	5.5
69.26634	1.2
69.26907	4.3
70.03047	0.8
78.36617	0.8
79.01855	1.4
79.05488	1.0
81.03440	2.5
83.05003	1.0
88.08121	0.9
89.03925	1.7
91.05493	1.6
93.03423	2.9
93.07083	0.9
95.04987	1.0
97.02921	2.5
98.23431	1.5
107.01337	1.8
107.04989	2.3
109.06496	0.8
111.04432	11.2
111.05030	0.8
117.03394	3.9
117.55442	0.8
119.04953	1.2
121.02868	19.2
123.04476	2.4
131.04939	1.3
133.02873	1.8
135.04401	10.5
137.02364	9.2
137.06007	0.9
139.03891	17.6
145.02892	3.3
149.02333	90.5
150.02827	2.0
151.03917	2.0
157.02878	0.9
163.03899	25.6
165.06990	11.5
167.03375	13.2
167.04590	1.0
177.01822	16.3
177.05516	1.9
177.07079	1.0
179.03490	2.9
181.04959	6.7
181.06412	1.3
187.03880	4.3
193.06482	8.6
197.06013	3.4
203.03427	0.8
205.06508	2.1
209.04437	100.0
210.04898	3.0
211.07581	3.7
213.01811	4.3
221.05959	49.2
222.06473	2.3
223.07608	2.7
225.05441	18.8
227.05457	5.6
231.02824	1.8
233.06061	1.9
237.05437	1.2
239.07004	11.7
239.09059	1.0
243.06529	1.4
249.05447	58.9
250.06049	4.8
251.07053	1.9
253.04950	10.3
255.06555	3.3
259.03967	2.1
266.05609	1.4
267.06506	23.8
268.07111	1.1
276.26871	0.9
277.04938	35.1
278.05658	3.7
279.06537	2.2
281.04547	2.9
293.04590	0.9
295.05997	90.4
296.06253	3.9
297.04337	0.8
297.07504	1.9
313.07007	3.8
321.04041	1.9
323.05478	71.1
324.05911	2.6
341.06580	10.2
346.70819	1.1
397.07214	2.4
411.07156	1.6
425.06598	1.3
443.07596	5.4
445.09219	2.0
461.08591	4.4
471.07037	15.0
471.13028	1.3
473.08771	3.9
489.08301	5.1
499.06479	4.5
503.09717	6.5
517.07361	2.5
521.10699	8.0
531.09399	9.1
532.09607	1.0
549.10175	5.2
576.29266	0.8
584.13971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47019	2.6
65.03935	15.3
68.99783	17.5
71.05882	5.0
79.01866	3.7
81.03393	6.0
85.53264	2.7
91.05481	9.7
93.03391	18.4
95.04910	4.6
103.70390	2.6
107.04942	15.7
111.04437	49.5
121.02853	43.7
123.04396	7.3
135.04407	50.1
137.02377	14.2
137.05981	3.3
139.03891	100.0
149.02328	42.8
151.03883	4.6
153.05446	8.6
159.04408	3.4
163.03891	31.5
165.06964	7.6
169.05049	4.4
175.03944	6.0
177.01816	77.0
181.04955	78.1
181.06410	3.1
187.03903	14.4
193.04904	4.3
193.06509	3.5
197.06084	3.2
203.03365	4.8
205.04901	7.4
205.06488	7.8
209.04439	65.7
211.05844	2.7
213.01796	4.1
217.04872	3.0
221.05948	22.3
223.07500	26.6
225.05467	8.9
231.02831	37.5
233.05956	8.3
239.06998	5.4
249.05508	41.6
250.06035	4.1
251.07008	28.5
253.04880	8.5
255.06441	2.9
267.06616	17.9
269.04709	6.3
269.08069	21.2
271.05942	6.0
275.03723	3.2
277.04950	28.9
279.06509	7.7
281.04395	11.3
285.07321	4.8
295.05966	66.4
297.07431	3.8
305.04193	4.4
305.72006	2.7
313.07025	17.2
321.03973	5.3
323.05444	95.4
324.06012	2.6
341.06500	23.6
344.06866	3.0
353.08051	5.1
357.07257	4.0
371.09024	9.2
381.07266	5.7
399.08420	14.6
411.07217	5.0
427.07413	4.6
445.08975	3.5
461.08517	8.0
480.90320	3.0
489.08191	5.0
491.09763	9.1
493.11099	4.9
521.03326	4.6
521.10791	74.2
522.10822	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	764.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.5
68.99790	4.1
70.66937	2.2
81.03415	1.6
84.59416	1.0
91.05500	1.4
93.03407	1.1
95.04970	1.4
107.04954	2.9
111.04462	6.7
116.49226	1.1
118.12208	1.1
120.95994	1.0
121.02847	7.1
121.88606	0.9
123.04414	7.9
125.06008	2.1
133.36690	1.0
135.04434	4.4
137.02376	12.1
137.03423	1.8
137.06012	2.7
139.03877	9.7
149.02330	9.9
153.05476	3.4
163.03940	5.2
165.05530	1.6
165.06950	1.5
167.07159	1.0
169.04977	3.4
177.01811	12.8
178.02513	1.3
181.04965	5.1
187.03947	1.1
189.05487	2.4
193.04959	1.8
193.06479	1.4
195.02751	2.6
203.03447	1.0
205.06599	1.8
209.04433	6.3
213.05443	1.5
219.04500	1.7
221.05997	6.0
223.07564	3.3
225.05502	2.1
231.02921	1.6
233.06006	2.3
237.05536	1.3
238.50455	1.0
241.05142	1.4
243.42937	1.1
247.03836	1.2
249.05537	8.1
250.06180	1.6
251.06940	2.2
253.04884	1.4
255.06659	1.3
259.06085	1.4
261.05640	2.4
263.07068	2.9
267.06552	3.9
269.04507	5.8
275.03409	3.9
277.04883	4.9
279.06265	1.3
281.04446	1.6
285.09076	1.4
289.05042	2.9
290.05759	1.1
291.06451	3.0
293.04279	1.5
295.05841	13.7
297.09055	4.5
301.08804	1.2
307.07346	1.3
313.08725	1.4
315.09976	1.0
321.03995	7.6
323.05310	9.6
325.08524	4.2
329.08102	1.2
331.09729	1.2
335.06897	1.8
337.08447	1.7
341.07550	2.5
343.09647	3.4
344.06677	1.8
345.07520	2.9
347.05524	1.2
353.08060	13.2
355.09641	1.5
357.07520	1.9
358.08328	1.9
359.09259	6.1
361.07065	2.8
369.07428	7.5
369.49744	1.0
371.09122	15.2
372.09644	1.2
373.06918	2.2
381.07550	12.5
382.08292	1.9
383.09161	1.8
387.08508	5.4
389.06451	1.4
397.06952	5.7
399.08627	40.0
400.09073	1.5
401.10150	3.6
404.08838	1.9
415.08102	8.1
417.09964	1.8
425.06549	3.9
427.08310	3.3
429.09656	1.7
433.09201	2.5
443.07645	8.3
445.09155	8.2
447.10565	1.3
457.09109	3.0
461.08621	22.3
475.10016	4.5
489.08221	19.6
493.11249	3.6
517.07190	1.3
521.10760	100.0
522.11255	6.7
549.10333	2.1
553.24054	1.1
724.91553	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86961	0.1
62.01603	0.2
63.02357	0.7
69.58466	0.1
72.54707	0.1
79.05476	1.1
83.04959	0.2
83.61192	0.1
85.02882	0.4
89.03906	8.3
95.04965	0.6
105.04510	0.2
107.04949	2.0
111.04443	0.3
117.03366	8.8
118.03712	0.2
135.04401	17.9
136.04773	0.3
139.01912	0.1
139.03911	0.4
145.02832	12.3
153.05467	0.4
163.03882	100.0
164.04224	1.9
171.06531	0.2
186.05391	0.2
189.07442	0.1
209.04344	0.2
221.05968	0.1
235.03870	0.1
239.06847	0.2
248.28470	0.1
253.04903	0.4
267.06470	0.1
271.05997	0.4
281.04437	0.4
284.30292	0.1
295.05936	0.3
299.05432	0.2
313.07004	1.1
323.05283	0.3
325.07053	0.2
331.08105	0.4
334.62781	0.1
341.06516	0.2
345.05908	0.2
359.07544	2.7
360.08401	0.1
377.08521	0.5
387.07037	0.7
405.08255	0.2
584.13391	0.2
621.95844	0.2
647.02191	0.1
648.47906	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	764.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
66.62182	0.3
69.63597	0.3
71.04964	0.5
73.44804	0.3
77.03917	0.6
85.02876	0.5
86.09663	0.3
94.70445	0.3
95.04967	1.5
97.02892	0.3
98.22675	0.7
99.04453	0.8
102.04670	0.3
103.05457	38.6
104.05798	0.6
105.04490	0.4
107.04955	0.4
111.04445	0.5
117.03316	0.6
119.08448	0.3
131.04912	100.0
132.05229	2.2
133.06520	0.3
135.04425	0.5
137.05919	1.6
145.02853	0.8
147.04295	0.3
153.05432	0.4
163.03902	3.4
163.07523	37.5
164.07898	0.6
165.02020	0.3
168.55534	0.3
175.07549	0.4
177.05458	0.5
181.04907	0.4
189.05443	0.3
217.53671	0.3
222.06618	0.3
251.09215	0.8
365.09921	0.5
673.34015	0.4
674.33942	0.5
764.36499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
58.75535	0.6
65.03918	2.3
67.05463	1.1
70.06606	0.6
70.55170	0.9
75.04456	0.7
79.05486	1.2
81.03400	2.1
81.07039	0.8
85.02920	3.3
91.05472	4.9
93.03403	1.1
94.04190	1.4
94.92038	0.6
95.04967	3.0
97.02870	1.5
103.03963	0.8
103.05459	15.7
105.03394	1.3
105.07023	1.9
107.04930	4.6
108.02101	1.2
109.06519	1.2
111.04427	1.6
115.05437	3.1
117.07037	3.3
118.04170	2.6
119.04935	4.8
121.06487	1.6
122.03655	4.1
123.04408	2.1
125.05968	2.1
127.03870	0.7
129.07011	1.4
130.04167	1.0
131.04913	30.5
132.05742	0.7
133.02853	4.5
133.06512	3.1
135.04369	1.7
135.08034	2.2
137.05965	61.6
138.06282	1.1
141.05441	1.3
143.04913	2.0
143.25029	0.7
145.02754	0.9
145.06499	3.6
146.03612	1.0
147.04399	5.8
147.08099	1.3
148.05176	8.4
149.05969	2.4
151.03897	78.7
151.04980	5.7
151.07503	1.6
152.04332	1.2
153.05481	3.4
157.06476	2.1
159.04353	0.8
159.07951	1.0
160.05173	1.9
161.05949	3.0
163.03912	4.7
163.07520	21.3
165.05455	4.1
165.09016	0.8
166.40277	0.7
167.07024	8.6
171.04445	1.3
172.05357	0.6
173.05969	3.5
174.06847	1.2
175.03937	0.8
175.07529	7.7
176.04651	1.8
177.05450	3.8
177.09097	1.0
179.07057	5.9
181.04944	19.9
185.05817	0.8
187.07524	4.5
189.05409	1.2
189.06915	0.7
189.09120	1.8
190.06270	0.9
191.07013	100.0
192.07414	3.0
193.04875	0.7
193.08629	1.6
195.06523	1.4
203.06973	3.7
205.06589	1.1
205.08505	4.8
207.06490	2.8
207.08238	0.9
207.10132	1.8
209.08080	4.5
215.06964	0.9
217.08586	2.2
218.61467	0.6
219.08189	0.7
219.10117	2.0
221.08018	1.0
223.09697	1.8
231.06523	1.3
233.06027	0.8
233.08031	4.1
234.06761	0.8
235.07555	1.4
235.09654	4.2
237.09195	1.6
245.08034	0.9
247.07520	0.9
249.09036	1.4
250.56444	0.6
263.09125	24.4
265.08557	1.7
265.10883	1.2
267.10074	1.6
277.08533	1.5
295.06143	1.4
295.09717	1.8
307.09659	1.4
309.11017	1.9
325.10571	1.2
327.12390	3.6
329.13821	1.2
337.10614	1.3
339.12296	1.1
341.13922	1.6
351.12207	1.2
353.13638	1.5
355.11758	10.8
357.13284	1.7
359.14648	1.1
369.13318	7.5
385.15979	0.8
387.14331	53.2
388.14554	2.1
413.16220	1.0
517.18518	2.6
519.19934	1.0
549.21356	1.6
595.62860	0.7
764.55127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
65.03954	2.3
67.05498	1.4
69.03458	1.4
71.00883	0.7
77.03904	0.7
79.05502	2.3
80.42432	0.5
81.03415	2.3
81.07063	0.9
82.13548	0.6
85.02912	3.4
89.03907	0.7
91.05472	5.3
94.04211	1.2
95.04951	3.5
97.02882	0.8
101.32265	0.6
103.05460	20.2
105.03425	1.4
105.04528	1.1
105.07010	2.9
107.04948	3.3
108.02109	1.3
109.06519	1.6
110.03673	0.6
111.04419	1.1
115.05448	4.2
117.03404	1.0
117.07011	3.9
118.04159	3.4
119.04942	4.5
119.08549	1.0
121.02944	0.6
121.06481	2.1
122.03646	4.4
123.04427	2.6
125.06016	2.0
129.06981	1.7
130.04179	1.5
131.04912	39.7
131.08514	0.7
132.05423	0.6
133.02840	4.0
133.06476	4.2
135.04405	2.4
135.08049	1.4
137.05966	76.2
138.06290	1.7
139.07532	0.9
141.05463	1.0
143.04903	2.1
145.02875	1.2
145.06441	4.0
147.04385	6.2
147.08023	1.8
148.05176	8.3
149.05983	2.0
151.03897	84.3
151.04973	5.5
151.07547	2.6
152.04236	1.8
153.05464	2.6
155.07100	0.7
157.06427	1.5
159.08078	1.2
160.05150	2.0
161.05986	4.4
163.03894	5.0
163.07524	24.4
165.05499	4.1
165.09039	1.0
166.05994	0.6
167.07027	9.5
171.04446	1.2
171.06549	0.7
173.05942	4.4
174.06747	1.4
175.07520	8.4
176.04663	2.6
177.05377	3.0
177.09044	0.9
179.07030	6.0
181.04942	25.4
181.08475	0.8
187.07553	3.8
189.05400	1.6
189.09102	2.8
190.06288	1.4
191.07011	100.0
192.07431	2.7
193.04973	1.5
193.08513	1.6
195.06522	1.5
201.09093	0.8
203.06996	5.4
205.06584	1.2
205.08482	5.3
207.06509	0.7
207.10139	1.3
209.08005	3.8
217.08614	1.6
219.10037	1.3
221.07982	1.3
223.09573	1.1
227.06987	0.9
231.06372	0.8
233.05835	1.0
233.07988	4.5
234.06694	1.3
235.07506	1.3
235.09570	5.1
237.09055	1.7
245.08153	1.3
247.07501	1.0
249.08989	1.2
259.19223	0.6
263.09137	23.2
265.08514	1.9
267.10199	1.7
277.08554	2.7
279.10098	1.2
283.09393	0.7
293.07776	0.9
295.06061	0.8
295.09589	1.9
297.11133	1.5
299.12701	0.9
305.08115	0.9
307.09445	0.8
309.10965	1.4
325.10394	1.7
327.12082	3.1
329.13718	2.4
337.10474	1.5
339.12057	1.5
341.13528	1.1
351.12137	1.7
355.11707	10.1
357.13391	1.5
359.14740	2.6
369.13281	5.5
387.14331	51.1
388.14468	2.2
413.15228	0.7
517.18225	2.6
568.36084	0.8
672.51794	0.8
698.31421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50442	0.9
55.01871	2.4
65.03947	1.5
67.05509	1.1
71.40854	1.4
79.05479	2.1
81.03408	2.3
81.07047	0.8
85.02904	3.5
91.05477	4.6
93.03400	1.0
94.04212	0.9
95.04974	3.7
97.02900	1.0
97.06541	1.0
103.03922	0.8
103.05461	17.9
103.06100	1.3
105.03385	1.4
105.07019	1.6
107.04914	3.9
108.02107	1.1
109.02842	1.3
109.06528	1.1
111.04446	2.9
115.05441	4.9
117.07027	3.9
118.04159	3.6
119.04961	5.9
121.06511	1.3
122.03655	3.5
123.04446	2.4
125.05997	1.0
129.06985	1.6
131.04921	33.3
132.05727	1.8
133.02861	4.2
133.06453	4.2
135.04442	2.5
135.08066	1.2
137.05968	68.5
139.03938	3.1
139.24736	0.9
143.04958	2.2
145.02831	1.0
145.06471	3.8
147.04390	7.0
148.05171	8.4
149.06010	2.2
151.03897	81.6
151.04947	5.3
151.07532	1.8
152.04285	1.7
153.05479	3.4
157.06506	2.0
159.04431	1.6
159.08087	1.2
160.05200	2.3
161.05914	4.6
163.03952	4.4
163.07539	22.7
165.05519	4.5
167.07016	9.2
171.06487	1.1
173.04744	1.0
173.05890	4.5
174.06833	1.0
175.03882	1.6
175.07536	8.7
176.04715	2.3
177.05492	3.2
177.09210	0.8
178.34122	0.8
179.07043	6.2
179.08447	1.1
181.04942	21.3
187.07556	4.9
189.05428	1.8
189.09140	3.1
190.06111	1.1
191.07016	100.0
192.07414	2.8
193.04964	1.4
193.08595	2.3
195.06567	1.4
201.05449	1.0
203.07043	5.6
205.06743	1.3
205.08615	5.0
207.06500	2.1
207.10170	1.7
209.08044	5.1
217.06673	1.2
217.08585	1.2
219.06522	0.9
221.07994	1.1
223.09744	0.9
231.06447	0.8
233.06021	1.6
233.07961	4.5
234.06815	1.2
235.07648	0.9
235.09662	3.6
237.09064	2.4
239.06992	1.2
239.10683	1.4
245.08165	1.0
249.05675	0.8
249.09082	2.3
259.09842	1.6
263.06915	1.0
263.09146	21.4
265.08572	2.7
266.09430	0.8
267.10117	1.0
277.05569	0.8
277.08603	2.0
279.09933	0.9
293.07861	1.5
295.06332	1.6
295.09625	1.6
307.09619	1.2
309.07578	1.2
309.11063	2.0
323.05508	1.3
325.10672	2.3
327.12195	3.8
329.13892	2.0
337.07144	2.0
337.10782	2.1
339.12216	2.1
341.13953	1.4
351.12177	2.7
353.14041	1.0
355.11731	9.6
357.13205	1.5
359.14697	1.7
369.13351	5.7
387.14340	48.6
388.14420	1.1
413.15927	1.6
517.18402	2.4
584.14069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75782	1.2
63.85484	1.4
71.42449	1.6
94.86069	1.1
96.01862	2.0
97.27290	1.3
109.02709	1.9
132.66258	1.6
163.03955	1.5
180.11211	1.4
187.07539	2.1
209.11417	9.2
223.13112	3.2
245.11588	6.0
265.17792	4.0
335.25534	4.7
337.23428	7.7
351.25003	2.7
381.60095	1.4
399.71194	1.7
498.33524	4.7
499.33997	5.3
516.34296	22.7
517.34802	19.3
679.40216	2.4
703.40729	2.8
721.41394	16.1
747.39325	9.9
765.40247	100.0
766.40454	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	765.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05510	5.9
55.63102	1.4
58.15776	1.6
67.05505	7.2
69.03432	7.1
69.07052	2.9
79.05481	5.7
81.03423	7.8
81.07047	14.4
83.04980	6.8
83.08662	2.1
85.02889	11.7
87.00825	4.1
91.05489	8.2
93.07037	17.0
95.04963	5.2
95.08597	29.6
95.09141	2.6
95.41341	1.4
96.85032	1.3
97.02895	5.2
99.04467	2.0
99.08103	3.0
105.01879	3.2
105.07021	18.4
105.69192	1.4
107.04945	1.9
107.08578	27.3
109.02879	5.3
109.06519	3.6
109.10148	14.5
111.08121	3.0
117.07021	2.3
119.08567	19.2
121.06522	4.6
121.10107	14.0
123.08079	3.2
123.11719	1.8
125.09663	2.0
127.03903	8.9
129.06985	2.7
131.08551	12.9
133.06567	2.2
133.10118	16.5
135.08040	73.9
135.11682	4.1
135.54303	1.4
137.09630	2.7
137.67342	1.4
139.27132	1.4
142.07770	1.8
143.08540	8.2
145.04996	2.0
145.10106	19.6
147.08017	8.8
147.11681	13.2
149.09595	12.9
149.13264	4.6
151.11166	2.1
155.08516	2.0
157.10097	11.8
158.10849	1.5
159.08044	4.6
159.11696	13.7
161.09605	25.3
161.13283	6.8
163.11234	2.3
163.14865	2.2
169.10139	2.7
170.10823	1.6
171.08055	2.1
171.11705	9.0
173.09636	5.6
173.13255	12.8
175.11134	8.1
175.14790	8.2
177.12717	2.9
183.11702	6.0
185.09581	3.4
185.13258	7.5
187.11169	4.0
187.14850	6.8
189.12790	4.5
189.16386	3.4
191.14384	2.7
193.12236	4.7
195.11674	1.8
197.13321	2.0
199.11200	4.0
199.14832	4.9
201.12798	7.6
201.16382	7.2
203.14293	74.7
204.14665	3.5
205.15833	3.3
209.13147	2.3
211.14818	4.1
213.12756	3.1
213.16389	7.8
215.14299	4.3
217.15828	14.5
219.13763	17.0
219.17255	2.1
225.16325	1.8
227.14294	1.9
229.15927	4.9
231.17451	8.1
239.17874	2.0
241.15874	1.9
243.17398	3.0
251.14268	1.8
253.19608	1.8
255.17494	2.5
267.17554	2.0
269.19086	2.8
338.93335	1.6
339.26840	2.9
351.23190	2.3
363.26862	4.3
364.26685	1.6
381.27850	2.0
391.29770	2.3
393.31949	1.8
403.29782	10.3
421.30984	100.0
422.31223	6.1
439.32047	97.9
440.32361	6.3
479.14630	1.6
481.32764	3.3
499.34134	52.1
500.34488	5.1
687.37036	3.7
765.39520	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	765.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
57.03443	1.8
61.02915	5.8
67.05499	4.7
69.03427	4.6
69.07063	1.5
70.43458	0.4
70.67680	0.8
71.01369	0.6
71.04988	0.8
73.02906	5.1
77.27286	0.4
79.05482	3.4
81.03425	3.1
81.07044	4.7
83.04970	0.8
83.08630	0.5
85.03348	0.6
87.04477	0.5
91.03967	3.2
91.05454	2.8
93.07041	3.7
95.04987	0.8
95.08612	2.9
97.02888	4.9
97.06532	0.5
99.04494	1.1
101.02360	2.4
105.07051	1.8
107.08600	2.2
109.02885	1.2
109.10160	1.5
111.17870	0.4
115.03815	0.5
119.08594	1.3
121.10152	3.7
127.03925	1.4
129.07059	0.4
131.08571	1.4
133.10120	1.1
135.11684	0.8
139.11156	1.0
145.10110	0.6
147.11710	0.9
149.09645	0.8
159.32043	0.4
184.07321	0.5
185.04153	0.7
193.12233	1.1
212.07535	0.5
225.10957	0.7
243.08395	2.3
251.12526	0.8
269.13599	2.1
335.25925	1.5
397.48859	0.5
443.18997	4.0
469.20151	1.2
487.21628	3.8
519.29260	8.5
519.36377	0.7
520.29303	0.8
565.31128	0.7
605.32721	0.5
721.41327	1.6
747.42938	1.4
765.43842	100.0
766.44318	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	766.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05494	0.9
65.03940	2.0
69.25073	1.6
69.25477	3.8
79.05467	1.3
81.07037	0.7
91.05472	9.6
95.04967	3.6
100.11243	2.3
107.04942	3.3
109.06506	1.2
111.04434	4.0
119.04922	4.9
121.06480	6.8
123.04420	18.4
123.29156	0.7
126.03127	4.5
133.02834	2.2
135.04408	4.2
137.02336	4.0
137.05965	4.8
139.03891	25.2
141.05463	5.0
147.04402	2.8
149.05975	2.6
150.03101	8.3
151.03880	7.2
152.04695	9.5
153.05432	3.0
154.02599	1.6
161.48405	0.8
163.03896	3.0
165.05486	24.1
165.06947	3.6
167.07031	21.0
167.08485	0.9
168.56148	0.8
169.04951	69.0
169.17372	0.8
170.05336	0.9
170.21495	0.8
175.03877	1.1
177.01831	1.1
177.05437	0.9
177.07043	1.2
178.02594	14.6
181.04988	8.8
182.15407	0.9
183.06522	14.6
183.08098	1.0
187.03917	1.7
193.04948	34.1
193.06477	2.7
196.03639	1.3
197.06000	1.1
203.03384	2.1
205.04839	1.2
205.06483	1.9
209.04376	1.9
210.14906	1.1
211.05984	100.0
212.06404	1.6
213.01814	2.0
221.05966	21.3
223.07513	1.6
225.05455	9.3
229.07095	2.1
231.02840	2.1
233.05934	1.9
239.07147	6.4
249.05449	19.5
250.06079	2.1
251.07010	2.4
252.04071	0.9
253.04906	5.1
254.18852	1.0
255.06462	10.6
259.03983	2.0
262.38458	0.9
267.06503	10.7
271.05966	1.5
277.04947	18.1
278.05347	1.4
279.06491	4.3
281.04434	2.3
285.07693	1.9
286.08582	1.8
294.05322	1.0
295.05975	46.4
296.06351	2.4
297.07419	6.6
299.09128	2.4
301.06851	1.0
305.04221	1.3
313.07059	5.8
321.07489	1.1
323.05484	49.0
323.08798	1.7
324.05905	1.8
325.07062	7.0
333.05579	1.1
339.08688	1.8
341.06607	4.4
343.07956	1.6
349.07034	1.5
353.07199	0.8
365.06329	5.0
367.08408	1.2
393.06036	4.7
395.07642	1.7
400.08878	0.9
411.07129	3.3
459.09998	1.2
477.12109	1.3
490.08459	1.0
491.08609	0.9
505.10928	1.6
521.10706	1.1
522.10608	1.7
523.11670	4.4
551.11877	8.2
765.57892	2.9
766.59076	1.1
796.17523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51563	1.4
57.39234	1.3
65.03933	7.7
69.79285	1.2
75.59945	1.4
77.18507	1.3
79.05482	2.0
80.88023	1.2
85.07289	1.3
90.10984	1.3
91.05517	6.6
93.03400	15.3
93.48454	1.2
98.22659	2.7
100.96636	1.2
104.18559	1.2
107.04958	13.1
111.04440	46.1
119.04914	4.3
123.04430	4.2
126.03052	1.6
135.04414	52.3
137.02338	5.4
137.05956	3.7
139.03896	93.1
140.04245	3.0
149.06007	1.3
163.03900	18.5
165.05573	2.7
165.07001	5.8
167.07094	3.1
169.04977	7.6
175.03865	1.3
177.07001	1.5
178.02625	3.2
181.04953	77.0
182.05284	2.4
185.18254	1.8
187.03886	3.7
193.04941	5.4
193.06494	4.8
194.94354	1.5
195.08202	1.9
197.05977	1.5
203.03398	9.4
205.06480	4.4
211.05923	11.4
211.07211	1.4
213.01909	3.2
221.05978	23.1
223.07547	4.7
225.05495	6.1
228.79953	1.4
231.02838	8.1
233.06009	3.1
239.07001	9.3
249.05434	21.1
250.06105	2.3
251.07011	5.6
252.04199	2.6
253.04939	9.1
255.06540	5.8
267.06512	13.7
268.07059	1.7
271.05969	2.8
277.04941	22.5
278.05533	3.2
279.06577	7.1
281.04321	10.7
285.07538	1.9
295.05997	69.2
296.06207	2.0
297.07697	3.2
299.08847	1.5
305.04532	3.0
313.07047	8.2
319.08173	1.8
323.05490	100.0
324.05942	4.9
325.06995	3.0
341.06491	7.6
365.06567	1.5
411.07077	3.4
447.10580	2.2
493.11353	7.8
521.10834	30.9
522.11017	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	766.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	2.2
65.03922	8.8
70.93120	2.3
81.03442	2.1
84.14102	1.8
89.03896	2.5
91.05460	10.2
93.03406	10.2
95.04964	2.9
100.11247	8.4
107.04945	14.4
111.04439	40.4
119.04909	3.6
121.06496	5.5
123.04410	7.5
127.03903	2.6
135.04408	40.1
137.02359	2.5
137.06012	3.5
139.03891	85.8
150.03159	3.6
151.03839	2.6
152.04660	3.4
153.05476	3.1
163.03923	20.4
165.05453	7.0
165.07005	5.8
167.07051	6.8
169.04965	20.4
178.02580	4.0
181.04935	70.0
182.15359	3.8
183.06499	3.2
187.03896	2.2
193.04948	11.7
193.06464	3.6
203.03397	7.4
205.06508	4.3
209.04370	2.7
210.14888	4.7
211.05949	29.2
211.07541	2.6
213.01808	4.2
215.24883	1.9
221.05910	19.8
223.07491	4.6
225.05406	9.4
229.45979	1.9
231.02852	6.9
233.06015	3.7
239.06960	6.3
249.05449	21.7
250.05942	3.5
251.07014	3.7
252.03987	3.0
253.04947	8.1
255.06471	4.2
266.05838	2.9
267.06421	14.4
277.05029	19.0
278.05606	4.5
279.06418	6.2
281.04428	8.6
286.53546	2.2
295.05988	64.8
296.06351	6.3
297.07401	6.2
305.04440	4.8
313.06943	8.8
323.05469	100.0
325.06729	4.8
341.06561	6.8
351.08527	2.4
365.06192	3.3
493.11041	7.3
521.10760	32.5
522.10895	3.1
523.11530	4.4
766.58160	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	766.327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05513	0.6
65.03932	4.9
67.05496	0.6
69.03397	0.5
76.97388	0.4
79.05467	0.5
81.03403	0.4
82.04179	0.5
85.02884	1.0
89.03929	0.5
91.05463	3.0
93.03394	3.4
93.07040	0.5
95.01307	0.5
95.04978	1.8
97.06580	0.4
97.65162	0.4
100.11246	1.5
100.82233	0.4
103.05459	0.7
105.03449	0.4
105.04482	0.4
106.62368	0.4
107.04952	2.2
108.02065	0.4
109.06501	0.6
110.03657	4.2
111.04427	5.9
117.07024	0.4
119.04929	2.5
121.02849	4.0
121.06488	2.2
122.03571	0.6
123.04424	5.3
125.05984	5.8
125.06809	0.6
126.03135	1.0
128.06226	0.7
129.06990	1.2
131.04916	1.2
133.02846	3.8
133.06519	0.5
135.04407	2.2
135.08066	0.7
137.02330	1.3
137.05962	4.8
138.03084	0.5
139.03889	5.4
141.05484	0.9
145.02858	0.8
145.06496	1.1
147.04402	2.7
149.02374	1.9
149.05975	1.5
150.03105	1.5
151.03897	2.3
151.07545	2.6
152.04678	2.2
152.06081	0.5
153.05460	14.4
157.06427	1.2
159.08038	0.9
161.05954	2.1
161.09592	1.2
162.06665	0.6
163.03885	3.9
163.07559	1.2
164.04292	0.6
165.05473	5.1
165.06979	1.9
167.07031	7.5
168.17482	0.4
169.04965	14.2
169.06395	0.6
170.05229	0.4
174.06757	0.9
175.03893	0.4
175.07544	1.6
177.05458	1.1
177.06937	0.6
177.09111	0.7
178.02618	3.3
178.07825	0.6
179.07040	1.3
179.08549	0.7
181.04956	3.6
181.06508	1.2
181.08621	1.0
182.07210	0.6
182.15398	0.6
183.06473	2.8
183.07874	0.5
184.05164	0.7
187.03813	0.4
187.07509	0.9
189.09160	1.9
191.07028	1.2
193.04970	6.8
193.06490	1.1
193.08446	0.5
194.07224	0.7
195.08038	2.3
196.08881	0.4
197.05954	0.9
199.07530	0.4
203.03447	0.4
203.08606	0.4
205.06548	0.7
206.07294	1.1
207.07927	0.6
207.10127	0.5
209.06212	0.5
209.08003	0.5
209.09789	0.4
210.06728	1.3
210.14784	0.6
211.05972	23.3
211.07463	1.6
212.06311	0.6
212.08192	0.7
213.01918	0.4
219.08203	0.5
219.10147	1.5
220.05252	0.5
220.08870	0.6
221.05965	5.9
221.09634	1.6
222.06644	1.4
222.10461	0.7
223.07555	2.9
224.08290	0.6
225.05472	2.4
225.08965	1.9
227.07005	1.2
227.10477	0.4
228.15720	0.4
229.07043	0.5
231.08011	0.4
233.05908	0.5
234.06796	1.2
235.07471	0.9
236.08379	0.7
237.09032	2.0
238.06189	1.4
238.09814	1.8
239.07060	3.2
239.10701	1.1
240.07759	5.3
241.08507	1.1
244.09669	1.1
249.05457	5.6
249.09105	2.1
249.11308	1.0
250.06279	0.6
251.07014	2.1
251.10637	0.8
252.07713	1.2
253.05005	0.9
253.08578	9.3
253.12196	3.0
254.09280	1.5
254.12921	0.5
255.06525	3.7
255.10121	3.1
257.08066	1.8
263.07153	0.5
265.08612	1.3
266.09409	2.1
267.06616	4.1
267.09732	3.0
268.07248	1.6
268.10721	0.4
269.07993	2.1
270.08810	1.8
270.12457	0.6
271.13281	0.6
272.10355	0.6
277.04974	3.5
277.08539	1.6
278.05841	0.5
278.08994	0.4
279.06512	1.0
279.10028	0.8
280.07410	0.6
281.05017	0.6
281.08075	2.8
281.11670	3.6
282.08795	1.5
282.11957	0.5
283.06543	0.6
283.09564	4.9
284.10449	1.5
285.07556	1.6
285.11246	2.4
285.14542	0.9
294.08850	0.9
295.05994	8.4
295.09607	2.9
296.06580	0.4
296.10474	0.7
297.07520	1.8
297.11200	1.4
298.08569	0.7
298.11987	1.8
299.12744	5.3
300.09940	1.4
303.16046	0.5
309.11197	5.0
310.11942	2.7
311.12744	1.0
313.07104	1.4
313.10663	7.0
313.14316	2.8
321.07745	0.6
321.11243	0.6
323.05493	13.6
323.09283	0.8
325.07196	1.8
326.11362	0.8
327.12247	19.0
328.12912	1.4
329.13733	2.1
331.15396	3.0
339.12061	1.8
341.06693	1.0
341.13858	2.8
343.08243	0.9
343.15292	1.4
345.16785	0.6
353.13742	0.6
357.13339	0.9
359.14853	100.0
360.15228	4.0
361.16446	2.5
365.06534	1.0
371.14856	9.6
372.15201	0.5
389.15939	4.8
390.16214	0.5
393.06033	1.9
491.20871	0.7
509.21307	2.1
521.20923	0.5
523.11761	0.8
551.11633	1.7
676.71704	0.4
679.48730	0.5
765.58472	1.1
766.58270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
65.03937	3.8
68.32738	0.4
69.03438	0.4
69.35424	1.5
70.06582	1.5
79.05490	0.8
82.04191	0.5
85.02893	0.5
89.03905	0.7
91.05509	2.3
93.03403	3.0
95.04960	1.2
97.06525	0.4
103.05433	0.7
107.04955	3.2
108.02103	0.5
110.03646	4.4
111.04435	8.4
115.05423	0.4
117.07001	0.5
119.04924	2.4
121.02852	3.5
121.06473	1.0
123.04425	1.3
125.05979	6.8
128.06122	0.5
129.06972	0.7
131.04935	1.4
133.02864	3.0
133.06511	0.4
135.04401	5.0
135.08017	0.9
137.02309	0.5
137.05952	4.0
139.03900	7.6
140.89633	0.4
141.06932	0.4
145.02817	0.5
145.06470	0.4
147.04370	2.5
149.02342	1.7
149.05975	1.1
151.03888	1.1
151.07484	2.2
153.04218	0.8
153.05460	13.7
155.08183	0.7
157.06516	0.8
159.04369	0.6
159.08047	0.9
161.05952	1.3
161.09599	0.6
162.06815	0.5
163.03909	5.4
163.07495	1.2
165.05463	1.8
165.06978	1.5
167.07027	3.6
167.08356	0.6
168.68791	0.4
169.04991	2.2
169.06299	0.5
174.06763	0.6
175.07547	1.5
176.41992	0.4
177.05438	1.0
177.06934	0.8
178.02599	0.5
179.07042	0.9
179.08504	0.4
181.04971	6.8
181.06485	0.9
181.08530	1.0
182.07393	0.6
183.06381	0.6
183.07938	0.6
184.04990	0.4
187.07558	0.8
189.09071	1.8
191.07014	0.9
193.04926	1.3
193.06508	1.1
193.08379	0.4
194.07254	0.6
195.08076	1.6
195.09863	0.4
197.06055	0.8
199.07530	0.5
201.09027	0.4
203.03317	0.6
206.07236	0.8
207.08084	0.8
208.08714	0.4
209.06030	0.6
210.01909	0.4
210.06720	1.5
211.05998	4.6
211.07637	1.0
212.08266	0.5
213.09142	0.4
219.08022	1.1
219.10249	1.0
220.08945	0.5
221.06081	2.3
221.09598	1.5
222.06508	0.5
222.10405	0.6
223.07591	2.0
223.11110	0.8
224.08209	1.0
225.05386	1.3
225.08971	2.1
227.07098	1.1
227.10646	0.9
231.02905	0.6
231.08112	0.4
233.06003	0.5
234.06758	1.5
235.07501	1.1
236.08189	0.8
237.05090	0.4
237.09108	2.5
238.06204	1.1
238.09872	2.3
239.07001	2.6
239.10707	1.2
240.07751	4.7
241.08524	1.1
244.09712	1.5
249.05522	2.4
249.09052	1.9
249.11380	0.5
251.07040	1.8
251.10811	0.7
252.04218	0.5
252.07773	1.2
253.04958	1.0
253.08588	9.7
253.12224	3.8
254.09239	1.3
255.06534	1.9
255.10077	2.4
257.08066	1.5
264.07852	0.6
265.08594	2.0
266.09329	1.9
267.06583	2.0
267.10074	2.7
268.07291	0.7
269.08121	2.4
269.11536	0.6
270.08862	1.5
272.10373	0.8
277.04965	2.6
277.08575	1.4
278.05566	0.5
278.09308	0.6
279.06604	1.4
279.10065	0.7
281.04498	1.2
281.08075	2.0
281.11719	4.0
282.08841	1.3
283.06546	0.8
283.09607	5.9
283.12839	0.8
284.10428	1.7
285.07623	0.7
285.11172	2.4
285.14835	1.2
293.07944	0.5
293.11768	0.5
294.08881	0.5
295.05997	6.8
295.09607	2.0
296.06256	0.7
296.10117	0.7
297.07813	0.5
297.10889	0.7
298.08704	0.6
298.11993	1.7
299.09402	0.9
299.12680	5.6
300.09909	1.1
303.15875	0.7
305.04526	0.6
309.11197	4.2
310.11960	2.0
311.09457	0.6
311.12708	1.2
313.07239	0.6
313.10681	7.9
313.14343	3.2
315.12341	0.6
323.05475	9.9
324.05807	0.6
326.11411	1.1
327.12238	19.2
327.16153	0.9
328.12881	1.8
329.13699	2.5
331.15411	3.3
339.12164	1.5
341.06644	0.7
341.13766	2.8
343.15338	1.4
345.16943	0.6
355.15668	0.5
357.13269	0.8
359.14850	100.0
360.15146	4.3
361.16336	2.4
371.14838	8.9
373.16321	0.6
389.15829	5.1
509.21600	2.3
521.10632	2.4
521.21271	0.6
631.89221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57376	0.3
62.45325	0.3
67.46791	0.3
70.96857	0.4
109.05608	0.3
176.07072	0.3
183.77501	0.3
185.04216	2.3
217.04703	0.6
232.07031	10.0
233.07803	5.1
303.02054	0.4
347.11652	0.3
364.11264	1.1
395.13089	100.0
396.13559	3.3
748.29755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.6
65.03928	5.1
69.41545	1.0
69.41940	1.4
79.05472	0.9
89.03902	1.9
91.05470	4.0
93.03402	6.4
97.35631	0.5
103.05469	0.6
105.03413	0.5
107.04941	6.8
111.04433	26.2
116.75591	0.5
117.03397	2.4
119.04937	1.8
123.04412	1.8
131.04886	0.7
133.02835	1.5
134.03595	0.7
135.04399	26.1
136.04701	0.6
137.02321	2.1
137.05951	1.6
139.03880	47.0
140.04219	0.7
145.02853	5.5
147.04417	1.6
149.05988	0.5
153.05472	0.6
157.02739	0.8
163.03880	26.5
164.04176	0.6
165.05751	0.7
165.06990	4.0
169.06464	0.7
175.03885	9.1
177.05463	11.4
177.06918	0.8
179.03357	1.4
180.04202	0.6
181.04935	27.4
182.07330	0.6
183.08141	0.5
187.03841	1.0
189.05460	2.0
192.05629	0.8
193.06462	4.1
194.05797	0.6
195.02855	0.6
195.06537	1.4
197.05870	2.3
205.06541	1.7
207.08087	0.8
209.09592	0.7
210.06743	1.7
211.07509	2.0
220.05075	2.2
221.05948	10.8
222.06429	1.0
223.07498	1.0
225.05486	1.2
225.09073	1.0
229.08667	0.7
231.02792	1.4
233.06047	0.7
235.07462	3.5
237.05391	0.5
238.06172	2.5
239.07022	8.9
240.07468	0.7
241.08507	0.5
245.04440	1.7
248.04588	1.6
249.05440	10.5
250.06168	2.1
251.06993	0.9
253.08566	1.8
263.06946	3.9
265.04846	0.7
265.08633	0.7
266.05762	4.8
267.06494	9.8
271.09656	0.9
276.04214	1.3
277.04944	6.9
278.05750	3.0
279.06497	1.7
281.07996	4.5
285.07629	1.9
291.06512	1.7
293.08054	2.9
294.05173	23.9
295.02582	1.0
295.05957	20.3
296.06445	1.1
297.07950	0.8
299.09082	3.5
304.03625	1.3
305.04349	5.1
309.07541	27.4
310.07816	1.1
311.09082	0.6
313.07022	1.2
318.20502	0.5
319.05994	1.5
322.04672	2.7
323.05444	37.0
324.05792	1.6
327.05280	0.5
327.08588	3.4
337.07016	100.0
338.07367	4.7
341.06653	2.6
355.08215	1.4
465.11435	1.6
507.12958	0.6
589.08734	1.4
600.80444	0.5
769.13232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.3
59.11060	0.2
63.02361	0.8
64.00379	0.3
65.03927	1.1
69.38643	0.6
69.39037	0.7
79.05493	1.7
81.03409	0.4
82.31377	0.3
83.11917	0.3
89.03909	9.9
91.05476	1.2
93.03394	1.0
95.04951	0.8
98.22620	0.3
107.04946	4.0
109.65489	0.3
111.04439	5.5
117.02565	0.6
117.03374	9.0
118.03655	0.3
119.04917	1.4
119.81792	0.3
123.04437	0.8
129.55135	0.3
135.04407	24.1
136.04724	0.5
137.02336	2.3
137.05997	0.5
139.03889	10.5
145.02841	15.1
147.04399	5.9
153.05469	0.3
163.03889	100.0
164.04190	2.3
165.05580	0.4
165.06981	0.5
175.03847	0.3
177.05461	0.9
179.03461	0.5
180.37361	0.3
181.04936	6.2
187.03845	0.8
190.41295	0.3
193.04901	0.5
203.03348	0.7
205.06441	0.5
211.07561	0.9
221.05952	7.2
222.06104	0.3
231.02840	4.2
239.06976	2.0
243.06509	0.3
249.05455	10.4
250.05972	0.6
251.07063	0.5
257.08136	0.4
266.05667	0.6
267.06519	3.7
271.28824	0.3
277.04965	6.8
278.05359	0.6
279.06540	0.9
281.07993	0.4
285.07541	1.8
295.05994	33.0
296.06287	1.4
297.07419	0.6
306.72702	0.3
309.07339	0.4
313.07025	11.0
314.07245	0.6
323.05502	1.7
337.07050	1.4
341.06534	10.6
342.06653	0.8
359.07538	4.1
411.07098	3.1
493.11008	0.6
521.10663	3.3
539.11658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.8
55.05513	3.3
57.03431	5.0
57.07095	2.2
61.02933	4.7
62.30685	2.0
67.05502	6.4
68.99788	3.0
69.03419	15.3
69.05058	14.5
69.07073	4.9
71.04993	5.3
73.02924	4.2
79.05479	3.8
81.03426	25.4
81.07037	12.2
83.04975	15.9
83.08612	4.4
85.02903	100.0
86.09685	2.6
87.00820	19.8
87.04479	2.1
91.05484	5.0
93.07057	11.3
95.08604	23.2
97.02887	27.2
99.04450	8.0
105.01867	20.9
105.07035	14.6
107.08580	22.3
108.04473	4.9
109.02871	22.3
109.06524	3.5
109.10155	12.3
111.04438	13.3
111.08112	2.7
119.08576	27.7
121.06520	5.7
121.10143	14.9
123.11731	6.0
126.05457	2.6
127.03904	40.8
127.04745	3.3
129.05482	6.8
130.20413	2.2
131.08545	9.4
133.10112	17.2
135.08075	4.0
135.11693	11.6
145.02872	3.5
145.04965	15.5
145.10106	15.2
147.08023	4.0
147.11690	14.9
149.13286	9.2
157.10193	3.6
159.02869	11.4
159.11725	7.5
161.09660	6.2
161.13228	10.9
163.11241	2.2
163.14804	20.1
171.06523	58.2
171.07954	3.9
171.11682	3.0
173.13260	15.3
175.14832	18.7
177.05484	6.6
177.16389	13.1
185.13229	4.7
187.14764	17.8
189.07562	15.4
189.12779	6.3
189.16397	15.4
191.14305	14.0
191.17947	11.8
193.49232	2.1
199.14790	6.9
201.12813	2.1
201.16402	12.0
203.14331	7.6
203.17926	19.6
205.15863	5.4
205.19637	3.1
207.13744	2.2
209.15289	2.7
213.04031	7.5
213.16425	6.1
215.14359	3.3
215.17964	5.0
219.13893	2.9
219.17474	2.7
231.05072	8.3
235.13213	9.9
235.16911	2.8
237.14851	4.9
247.16901	6.5
261.18491	5.2
281.22864	2.0
305.24551	2.9
328.49942	2.4
381.11856	3.9
393.31470	17.5
395.33215	6.7
411.32660	13.1
413.34045	2.5
421.31076	15.3
439.32025	73.1
440.32635	5.9
457.33118	63.5
458.33591	3.5
467.31378	8.2
485.32446	11.1
503.33551	7.0
682.07892	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	768.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	13.1
67.05495	30.9
69.03423	32.3
69.07056	27.3
75.71408	9.6
79.05484	39.2
81.03411	36.5
81.07040	68.3
85.02901	62.8
87.00798	31.3
87.57635	10.9
91.05474	22.9
93.07043	42.4
95.08608	94.9
96.73693	12.4
97.02911	32.5
105.01855	13.0
105.07026	91.9
107.08585	96.0
109.02889	34.8
109.06500	11.5
109.10152	40.6
117.07051	20.9
119.08575	100.0
121.10155	52.2
123.11729	25.2
125.09705	11.1
127.03925	41.5
131.08554	57.7
133.10146	49.9
135.11676	41.8
139.11201	42.3
145.04977	16.1
145.10146	52.2
147.11684	75.4
149.13283	32.5
159.11697	39.7
161.13271	32.9
171.11691	21.6
173.13232	76.0
175.14803	91.2
185.13298	19.4
187.14867	26.6
189.16432	29.3
191.14270	26.5
199.14835	13.1
201.16423	15.4
203.18079	12.7
213.16309	14.9
215.17934	22.2
217.19534	25.9
221.15343	26.5
221.18877	13.8
229.19493	52.0
237.14850	35.3
247.20456	64.2
299.23666	13.7
385.84076	11.6
409.34946	12.6
421.34732	27.0
439.35837	32.2
449.34137	23.5
455.35635	18.4
467.35376	56.3
467.53564	12.6
485.36041	16.6
569.48370	14.7
632.89813	12.5
647.28925	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	768.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.7
55.05507	18.7
57.03423	3.5
65.03938	1.4
67.05499	36.5
67.05853	1.8
69.03429	5.6
69.07066	19.3
69.10303	7.1
71.04974	1.5
76.89671	0.9
77.03903	1.7
79.05485	44.8
81.03425	5.3
81.07053	28.3
83.04990	7.9
83.08602	8.4
85.02897	1.8
85.06567	1.2
91.05468	34.7
93.07040	37.2
95.04958	17.8
95.08596	15.8
97.02882	4.8
97.06535	4.0
97.10168	9.2
105.04513	3.7
105.07021	23.3
107.04955	7.5
107.08587	13.1
109.06519	4.5
109.10138	5.2
115.05419	1.6
117.07007	7.4
119.04880	1.2
119.08573	17.1
121.06490	4.1
121.10152	4.0
123.08066	3.4
125.09619	6.4
128.06218	1.4
129.06981	7.4
131.08554	6.2
133.06517	2.0
133.10127	6.8
134.07278	1.3
135.11676	1.3
137.09628	1.4
142.07866	1.6
143.08545	5.8
145.10097	7.2
147.08034	5.4
147.11665	15.5
149.09622	1.8
149.13155	1.2
157.10155	1.8
159.11638	1.5
161.09599	3.8
161.13258	4.9
171.11670	10.5
171.46214	1.1
173.81715	1.2
175.11266	2.6
189.11256	2.8
189.12770	5.1
205.12212	1.8
207.13762	11.1
214.82996	1.1
223.13286	12.5
225.14799	1.3
227.12756	5.0
245.18724	1.2
249.14857	2.9
273.18439	10.1
281.17450	43.2
282.17722	2.6
291.19504	71.9
292.19797	2.6
347.48465	1.0
365.23206	30.2
455.26129	1.1
473.28955	3.1
491.29956	1.7
553.35376	2.9
571.36237	100.0
572.36688	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	768.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97402	4.3
55.05496	15.1
57.03429	9.4
67.05502	46.0
69.03425	5.5
69.07085	23.8
69.34977	23.2
71.04993	5.5
71.35432	4.0
74.16635	3.8
79.05489	54.1
81.03426	10.6
81.07055	38.4
83.04976	11.2
83.08602	9.7
91.05466	48.8
93.07038	52.2
95.01310	4.4
95.04979	19.8
95.08584	19.9
97.02876	6.4
97.10149	6.8
100.05016	4.0
105.07024	33.1
107.04953	9.4
107.08559	21.4
109.10174	8.6
117.07014	10.2
119.08534	21.2
121.10136	8.9
123.08144	6.3
125.09614	4.7
129.06982	11.1
131.08598	8.0
133.10144	13.2
135.08092	5.8
143.08557	8.2
145.10092	12.2
147.08052	8.3
147.11691	18.7
151.11108	5.0
161.13164	5.4
171.11687	18.8
189.12895	5.9
207.13846	12.3
223.13292	7.3
253.14232	8.1
273.18457	17.5
281.17468	47.5
291.19495	77.7
293.25629	4.4
365.23209	31.2
383.63281	5.0
473.28900	6.0
553.35077	8.7
565.63385	4.5
571.36304	100.0
572.36108	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	768.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.8
55.05503	26.7
57.03429	11.2
58.35515	3.3
65.03917	4.6
67.05499	84.4
69.03429	4.9
69.07059	27.0
70.17014	5.1
70.17354	7.8
71.04970	5.7
73.06540	3.5
77.03908	3.9
79.05482	96.8
81.03413	14.0
81.07047	79.7
83.04971	19.6
83.08594	8.5
85.06561	7.5
91.05470	97.1
93.06456	4.7
93.07038	91.1
95.04956	34.7
95.08590	38.1
97.02826	4.3
97.06522	14.0
97.10188	5.1
105.04540	6.0
105.07027	82.3
105.60153	3.7
107.04948	18.4
107.08574	48.1
109.06523	14.3
109.10165	40.4
115.05457	3.5
117.07012	18.1
119.08558	39.9
121.06516	10.4
121.10161	6.4
123.08057	6.2
123.11669	8.0
129.06955	19.0
131.08554	17.7
133.06476	12.1
133.10129	57.7
135.08051	8.6
135.11700	7.2
137.09645	4.2
143.08566	14.7
145.10098	18.1
146.94830	4.2
147.08040	5.1
147.11673	38.4
149.09596	8.4
151.11116	21.7
157.10066	6.9
161.09673	10.7
161.13257	13.7
163.11131	4.5
169.12196	5.7
171.11630	24.9
175.11240	4.3
184.07343	5.9
189.12779	11.0
207.13818	23.1
215.12735	5.5
224.13313	3.5
238.41193	3.5
245.19171	6.4
253.14326	100.0
273.18408	29.4
281.17453	65.9
291.19504	46.5
307.04141	3.6
347.22128	17.5
365.23236	38.0
380.27426	3.3
400.05124	3.4
422.69797	3.6
424.01288	4.0
460.46759	4.1
475.26868	3.9
477.28549	34.2
553.35138	15.7
571.36176	98.2
572.36597	7.8
633.85431	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06989	1.7
62.65951	1.7
65.03927	1.8
68.99757	2.3
69.14823	12.6
81.29173	1.7
98.40669	1.9
100.49962	1.9
111.04496	2.1
121.02847	11.5
149.02333	50.9
165.06973	4.0
177.01776	9.0
209.04401	14.3
211.07579	2.0
221.04160	4.7
221.06055	12.6
223.07611	2.6
225.05510	5.7
231.02646	56.7
231.04999	2.8
239.07100	3.5
249.05516	11.6
250.05774	2.6
251.07156	3.6
253.04979	3.6
267.06573	4.3
277.02390	2.0
277.04724	9.2
278.05826	2.2
294.05194	1.9
295.05936	16.5
297.06335	2.0
310.58075	2.2
319.05826	7.9
323.05386	2.4
337.06866	2.9
352.10486	2.1
362.04077	7.6
363.04843	4.6
381.06119	5.3
453.28650	1.9
517.10962	8.3
561.10022	19.9
571.08478	28.3
589.09491	79.4
590.10052	7.8
769.13635	100.0
770.14227	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	769.137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54992	1.3
61.29475	1.1
69.35436	6.3
83.35175	0.9
111.04476	1.5
117.03431	1.3
121.02877	2.2
149.02315	10.6
161.73265	1.1
177.01862	1.1
182.29793	1.1
209.04552	2.7
223.07542	2.4
231.02621	15.5
232.06065	2.9
249.03658	20.9
251.07050	2.0
268.61859	1.2
307.32260	1.2
309.06058	1.7
319.05609	1.3
325.05847	1.3
337.06427	1.7
345.03769	1.4
353.05331	1.5
355.06778	1.4
362.03900	9.2
363.04858	8.5
381.05780	3.4
457.07855	1.9
508.57037	1.1
543.08972	19.0
545.10504	41.4
546.11243	1.8
561.10046	11.1
589.09436	95.2
590.10101	6.7
715.77997	1.2
769.13599	100.0
769.23938	3.7
770.13885	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	770.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	12.7
55.05255	1.9
55.05507	22.7
57.03169	1.7
57.03425	12.5
57.07043	1.4
59.05004	2.1
61.02916	3.5
62.38351	1.3
63.35857	1.2
65.03919	3.4
67.05500	60.1
68.05861	1.3
69.03423	5.0
69.07058	16.9
71.01331	1.7
71.04982	8.0
73.06526	1.7
73.65218	1.1
74.64165	1.2
79.05484	56.8
79.05946	2.9
81.03406	13.3
81.07048	69.4
83.00880	1.3
83.01324	6.7
83.04971	20.5
83.08601	11.1
85.02892	6.5
85.06546	6.9
88.75611	1.2
91.05470	61.6
93.07037	53.1
94.17236	1.3
95.04963	20.9
95.08593	26.2
97.02869	4.3
97.06516	9.3
97.10149	2.7
98.22691	2.7
99.04443	2.8
99.08057	1.3
103.05408	1.6
105.04509	3.3
105.07018	50.0
107.04953	13.6
107.08581	39.7
109.02885	1.4
109.06521	12.3
109.09417	2.9
109.10147	44.3
111.04424	2.0
111.08083	2.3
113.06008	2.4
115.05442	1.4
117.07001	13.0
119.08574	19.7
119.17476	1.2
121.06511	8.6
121.10139	10.4
123.08048	8.0
123.11692	8.5
125.05961	1.6
125.09631	3.5
127.07529	3.0
128.06223	2.2
129.07027	5.9
130.07767	1.3
131.08553	10.5
133.06454	3.3
133.10123	60.9
133.11147	2.9
135.08073	7.8
135.11684	11.0
137.09589	3.3
139.07495	1.6
142.07753	1.6
143.08528	6.6
145.06490	1.7
145.10086	16.9
147.07976	3.1
147.11676	10.6
149.09593	9.1
149.13246	2.6
151.11166	27.7
155.08469	2.6
157.10071	2.7
159.08054	1.9
159.11678	4.8
161.09621	6.6
161.13254	3.5
163.07535	1.6
163.11157	18.3
169.10025	1.4
169.12260	3.6
171.11674	5.3
173.09576	3.1
175.11125	2.1
177.08957	1.7
179.10654	1.4
181.12256	2.1
183.48872	1.1
184.07353	2.0
189.12698	3.0
191.10555	1.8
195.13853	1.2
197.11555	1.3
207.13791	5.1
209.11650	4.5
215.12733	2.8
227.12770	3.6
245.18968	3.6
251.12570	1.6
253.14322	100.0
254.14764	2.7
263.20032	4.1
269.17502	6.4
272.28625	1.5
273.18445	20.3
275.20029	3.6
281.17456	11.3
283.15375	52.3
284.15567	1.6
291.19516	18.2
309.20688	2.0
311.14841	1.5
331.22546	1.6
337.71799	1.4
347.18304	1.3
347.22015	6.2
349.23740	2.3
365.23196	20.3
461.28775	5.0
465.20984	1.8
475.30527	31.7
476.64035	1.4
477.24536	3.0
479.26334	31.5
480.26721	2.1
555.35065	4.6
563.68616	1.4
573.34143	52.9
574.34265	3.4
771.26031	1.9
771.39008	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	770.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	11.6
55.05507	32.4
57.03431	9.0
59.05001	1.7
61.02917	2.9
65.03930	2.9
67.05505	27.5
69.03426	9.8
69.07060	25.3
70.93480	2.5
71.04984	3.9
79.05489	38.1
81.03413	13.0
81.07051	34.6
83.01349	7.2
83.04980	14.6
83.08613	16.0
85.02905	6.9
85.06542	2.0
91.05473	35.5
93.07040	36.4
95.04966	15.4
95.08595	16.4
97.02894	12.3
97.06524	5.6
97.10173	9.6
99.04447	2.5
103.05471	1.9
105.07018	25.3
107.04940	10.4
107.08591	22.5
109.06496	7.9
109.10155	7.4
111.04443	2.8
111.08109	3.9
115.05471	3.1
117.07002	13.8
119.04920	2.0
119.08556	18.5
121.06492	7.0
121.10133	9.5
123.08052	8.2
125.09602	9.7
128.06296	2.7
129.07016	4.4
130.07762	1.7
131.08557	11.0
133.06526	4.0
133.10118	10.2
134.07304	1.8
135.08066	4.8
135.11693	10.2
143.08566	3.5
145.06541	2.1
145.10127	18.7
147.08067	6.9
147.11699	7.1
149.09596	2.0
151.11151	2.0
157.10095	2.3
159.11710	4.4
161.09615	4.2
161.13197	2.1
163.11183	20.0
171.11676	3.5
173.09653	3.4
175.11177	2.6
176.03392	1.6
181.12254	3.2
184.07326	2.2
189.11241	3.5
189.12817	2.3
191.10680	2.6
196.96078	1.7
205.12210	2.1
209.11723	3.4
223.13240	13.8
227.12776	6.3
245.18988	2.2
253.14296	2.0
257.19052	2.6
273.18488	16.1
275.20105	3.5
281.17407	7.6
283.15366	77.3
284.15634	4.2
291.19522	100.0
292.19830	3.0
329.47672	1.7
347.22327	2.5
349.23712	2.5
365.23169	38.1
469.35315	1.5
475.30713	3.2
493.27588	3.8
555.36108	5.2
573.34149	93.3
574.34625	5.7
770.50366	1.8
770.82758	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.1
55.05495	10.0
56.61824	2.0
57.03431	4.0
57.07072	2.6
59.13566	1.9
61.02931	4.3
67.05499	13.7
67.05806	2.2
68.99781	2.4
69.03425	15.8
69.07067	9.8
71.04999	4.0
73.02923	5.0
79.05504	9.7
81.03412	17.7
81.07054	30.8
83.04976	12.9
83.08611	6.2
85.02903	33.5
85.06530	2.2
87.00820	16.4
89.82183	2.0
91.05467	18.2
93.07040	29.7
95.04953	5.0
95.08609	39.4
97.02898	23.6
97.06520	2.4
97.10091	2.6
99.04444	4.6
99.08091	13.6
103.05495	2.4
105.01868	8.8
105.07023	47.0
107.08587	56.6
109.02877	13.8
109.06518	3.0
109.10146	23.1
111.08054	3.6
115.05432	1.8
117.01876	3.2
117.07018	6.5
119.08575	80.3
121.10135	33.9
123.08081	4.6
123.11690	16.5
125.09614	7.4
127.03904	22.7
129.07001	7.0
131.08563	47.3
131.09564	2.1
133.10118	46.6
134.29668	1.9
135.08002	3.7
135.11684	16.1
137.05991	4.0
137.09576	2.6
141.07146	2.0
142.07738	3.2
143.08543	13.5
143.58841	2.6
145.04918	9.7
145.10114	58.1
147.08063	2.0
147.11678	43.0
149.09613	3.2
149.13251	15.0
155.08553	3.1
156.09399	2.5
157.10092	20.1
158.10934	5.2
159.02910	8.0
159.11691	43.0
161.05995	2.9
161.09637	3.4
161.13251	24.0
163.07549	3.1
163.11203	3.8
163.14783	7.4
169.10152	7.9
170.10870	4.8
171.11646	15.4
172.12466	3.5
173.09608	2.8
173.13263	38.6
175.14815	32.9
177.12727	2.8
177.16389	17.1
179.14227	3.7
183.11676	9.5
184.12427	2.1
185.13255	31.1
187.14806	74.1
189.12708	2.5
189.16371	19.6
191.14261	10.0
193.16130	2.1
195.11644	2.4
197.13272	9.4
199.14812	30.0
201.12782	1.7
201.16383	49.7
203.14229	18.0
203.17943	10.0
205.15877	94.9
206.16187	3.7
207.17490	3.0
209.15390	3.6
211.14729	10.1
213.03947	2.5
213.16367	21.2
215.14343	3.2
215.17923	6.8
217.15840	5.8
219.17403	9.7
221.15353	6.8
223.14751	4.0
225.16353	4.7
227.17902	7.7
229.15929	3.9
231.04895	3.1
231.17334	3.9
233.15469	2.5
237.16417	3.0
239.17961	3.7
241.19490	5.6
243.17593	4.1
245.15268	4.7
247.16965	5.7
249.14859	2.8
253.19542	4.3
255.21082	2.4
267.21054	4.0
270.05273	1.9
283.20740	3.2
333.26031	3.8
343.15274	3.4
365.28259	2.3
375.30478	3.0
377.32062	3.2
387.30530	6.3
393.31558	5.1
395.32941	2.6
405.31552	47.6
406.32028	2.0
407.32986	7.5
411.28284	2.2
421.30997	5.8
423.32565	42.2
433.30774	12.9
439.31839	11.3
441.33600	20.1
451.32092	64.0
452.32434	4.8
457.32663	3.9
459.34552	6.4
469.33127	100.0
470.33389	6.3
487.34430	8.7
505.35172	5.4
770.14294	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	770.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.2
57.03431	3.2
57.07072	4.1
60.16632	2.8
63.19781	2.3
67.05511	12.1
69.03422	9.8
69.07060	10.3
69.33459	2.1
71.04987	2.6
73.02911	4.2
79.05509	14.0
81.03412	11.7
81.07051	39.3
83.04961	7.5
83.08618	7.6
85.02898	20.0
87.00820	9.9
91.05481	19.7
93.07039	31.5
95.04958	6.6
95.08604	54.8
97.02888	17.2
97.06533	2.4
97.10168	3.6
99.04456	4.8
105.01855	10.3
105.07026	59.7
107.08593	51.6
109.02881	8.9
109.06473	3.0
109.10155	26.2
111.04418	2.5
111.08080	3.9
111.72012	2.1
117.03414	3.1
117.07024	8.5
119.08575	100.0
121.06534	5.4
121.10143	39.8
123.08123	5.6
123.11703	15.6
123.67648	2.1
125.09641	5.7
125.60258	2.1
126.82809	1.9
127.03911	18.3
127.11182	2.9
129.07080	2.3
131.08560	46.7
133.10115	50.4
135.04416	5.5
135.08043	5.1
135.11679	17.5
137.05934	2.8
137.09622	5.9
137.13326	2.2
139.03937	7.1
142.07814	3.2
143.08513	11.1
144.09300	2.4
145.02896	4.4
145.04971	5.1
145.10121	82.8
145.37172	2.2
147.04407	2.4
147.08072	2.3
147.11676	38.4
149.13223	13.9
151.11162	3.7
156.09369	3.2
157.10107	23.8
158.10889	4.8
159.02873	4.2
159.11682	53.0
159.12955	3.8
161.09647	4.0
161.13219	24.9
162.13611	2.7
163.03905	23.1
163.07544	5.4
163.11203	3.8
163.14838	21.8
170.10812	4.1
171.11679	15.7
173.09756	2.4
173.13255	72.2
175.11221	3.8
175.14812	37.9
177.12778	4.0
177.16383	26.9
179.14337	3.5
181.04971	5.2
183.11691	9.5
184.12384	2.2
185.13243	30.9
187.14801	95.7
188.15182	3.4
189.12830	5.0
189.16374	45.4
191.14287	26.5
191.17960	4.7
197.13278	4.5
199.14787	40.1
201.16374	81.4
203.14308	14.8
203.17944	54.7
204.18323	2.6
205.15857	76.3
205.17688	4.2
206.16200	3.0
207.17528	7.6
209.15338	21.3
213.03955	4.8
213.16411	12.4
215.14252	3.8
215.17960	8.1
217.15892	8.3
219.13792	2.4
219.17467	7.3
221.15405	10.3
221.18996	6.5
223.14838	2.7
223.16919	3.8
227.17950	2.6
229.15880	4.1
229.19569	2.9
231.05045	7.1
231.17496	5.6
233.15282	2.3
239.16370	7.1
241.19592	3.9
247.16971	6.9
259.16953	5.5
375.30371	2.4
377.31714	2.6
387.30453	5.7
389.32141	3.3
393.31403	5.8
395.33142	3.1
405.31540	32.3
406.32043	3.3
407.33112	20.8
412.31183	2.3
421.30804	9.3
423.32492	19.1
425.34088	5.7
433.31107	16.0
439.32309	10.3
441.33600	68.2
442.34177	3.5
443.35242	16.5
451.32086	89.0
452.32388	5.5
459.34631	15.1
469.32977	30.4
487.34192	21.9
537.19653	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.7
57.03433	2.9
61.02950	2.6
67.05501	11.3
69.03429	11.2
69.07067	8.3
69.14006	5.6
69.14413	8.4
71.05014	3.3
73.02911	3.4
77.76243	2.2
78.30909	1.8
79.05489	10.2
81.03398	10.4
81.07053	26.2
83.04976	14.0
83.08616	7.4
85.02898	31.6
87.00843	11.6
91.05479	16.5
93.07037	28.4
95.04983	8.2
95.08599	31.3
97.02885	18.3
97.10165	2.7
98.23511	4.6
99.04459	5.3
99.08088	7.8
103.13475	2.1
104.09801	2.1
105.01857	10.4
105.04526	2.5
105.07021	38.5
107.07880	1.5
107.08583	41.6
107.09267	3.6
109.02863	13.8
109.06553	3.8
109.10134	14.2
111.08061	4.5
117.07034	6.3
119.08575	47.9
121.10134	27.1
123.08092	5.1
123.11718	6.4
125.09653	8.2
127.03925	17.8
129.06998	4.1
131.08556	31.7
133.10104	31.9
135.11678	13.3
142.07814	2.4
143.08557	8.3
145.04974	7.9
145.10110	37.0
146.10362	2.3
147.11670	51.1
149.09645	2.9
149.13249	18.5
151.11195	2.4
155.08542	2.5
157.10124	12.6
159.02905	5.6
159.11673	31.2
161.09665	2.5
161.13228	17.2
163.03958	5.0
163.11147	2.7
163.14845	6.3
165.29485	2.6
169.10101	4.3
171.06549	2.9
171.11710	7.9
173.13248	29.9
175.14833	24.9
177.16370	13.4
179.14281	3.4
183.11682	6.6
185.13242	13.0
187.14789	47.7
189.16382	9.8
191.14320	7.2
193.15810	2.2
195.11693	2.7
195.13681	2.4
197.13330	5.2
199.14795	16.2
201.16353	51.3
203.14302	16.5
203.17964	7.5
205.15840	30.6
211.14839	6.5
213.03891	4.1
213.16418	11.1
215.14420	2.8
215.17851	4.4
217.15974	6.4
219.17427	12.7
221.15332	15.2
223.16925	2.2
227.17943	2.8
231.04962	4.3
231.17418	7.1
233.46103	2.3
237.16556	3.0
239.17821	3.7
241.19467	2.3
247.16896	6.8
249.14555	3.2
253.19591	3.8
259.16971	4.3
265.17941	2.6
289.25308	2.3
307.26291	9.8
335.23749	2.9
341.28326	3.0
365.28439	7.9
387.30258	6.0
393.05667	2.3
393.27554	4.9
405.31546	29.0
411.28580	20.5
423.32547	40.9
424.32904	2.6
433.30896	9.7
439.32028	3.1
441.33554	17.5
442.33362	2.8
451.32068	43.3
452.32504	4.5
459.34848	2.8
469.33099	100.0
469.39957	5.0
470.33316	7.4
487.34140	14.8
505.34970	5.2
717.37994	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	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.1
55.05508	24.9
57.03430	10.7
61.02919	1.9
65.03934	5.8
67.05498	70.1
69.03436	5.1
69.07059	21.5
69.20089	3.3
69.20498	6.3
71.04990	7.0
77.03896	1.9
79.05486	73.6
81.03400	12.6
81.07048	68.0
83.04967	13.3
83.08611	11.4
85.02897	3.7
85.06525	4.4
91.05474	61.3
93.07039	73.3
95.04957	22.9
95.08602	33.2
97.02863	4.0
97.06524	12.0
97.10162	3.5
98.23436	3.0
99.08079	2.1
101.30734	1.8
103.05477	1.9
105.04521	4.7
105.07022	50.9
107.04945	6.9
107.08587	31.5
109.06541	9.1
109.10146	13.0
111.08087	3.5
115.05489	2.1
117.07004	17.5
119.08578	22.5
121.06511	6.3
121.10140	11.8
123.08048	2.9
123.11681	3.6
128.06209	2.1
129.07019	12.7
131.08565	11.3
133.10117	32.4
135.08054	2.9
135.11702	9.3
137.09589	2.6
143.08542	9.9
143.92625	1.7
145.10114	14.2
147.08031	3.3
147.11670	27.9
149.09608	4.7
149.13243	6.9
151.11171	5.3
155.08598	1.8
157.10083	1.9
158.19550	1.7
159.11707	7.5
161.09625	5.3
161.13251	8.8
163.11179	7.1
169.10109	2.4
171.11685	17.9
173.04483	2.1
173.13240	2.1
177.12775	3.9
179.14328	2.1
184.07411	3.2
189.12714	7.9
195.13797	3.3
207.13780	25.4
225.14812	1.8
253.14325	21.1
255.15907	4.9
257.18936	4.2
269.17441	15.8
273.18509	4.1
275.19971	17.8
281.17432	47.6
281.40283	1.7
282.18109	2.2
283.15320	6.9
291.19534	4.7
293.21097	1.8
349.23694	10.3
365.23352	4.7
420.15302	1.9
435.27225	3.3
454.38855	1.9
461.28790	17.0
462.29211	2.1
475.30518	100.0
476.30673	6.3
479.26443	4.2
555.36792	19.1
573.33667	8.1
586.18109	1.9
751.57837	2.3
782.13843	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	12.6
55.05502	27.5
57.03429	14.7
61.02927	3.6
64.28114	2.7
65.03942	4.3
67.05499	86.2
69.03426	3.9
69.07059	31.1
69.20508	2.6
69.20703	4.8
69.21111	11.5
73.73814	2.6
74.45723	2.8
76.45606	2.5
77.03919	2.7
79.05486	88.9
81.03413	18.8
81.07050	84.9
83.04983	19.4
83.08621	17.8
85.02959	3.6
85.06537	4.1
86.09694	5.1
91.05471	79.7
93.07040	86.8
93.07603	5.6
95.04963	34.6
95.08598	43.9
97.06515	19.3
97.10173	6.3
102.97017	3.0
104.10726	4.9
105.04494	4.6
105.07024	58.9
107.04950	11.8
107.08578	35.4
109.02891	3.3
109.06502	10.0
109.10164	8.3
115.05434	2.8
117.07001	21.7
119.08567	38.8
121.06473	5.0
121.10108	14.1
123.08060	6.5
123.11652	3.0
125.09687	4.3
129.07004	14.0
131.08543	17.1
133.06502	3.0
133.10101	20.1
135.08092	6.2
135.11693	9.8
143.08577	13.0
145.10118	20.8
147.08058	3.5
147.11671	38.1
149.09627	15.0
149.13237	6.6
151.11128	3.8
154.31529	2.8
157.10080	3.7
159.11673	10.0
159.37166	2.9
161.09607	5.8
161.13246	11.8
161.95734	2.9
162.50282	3.7
163.11197	10.2
169.10065	3.3
171.11676	27.6
173.13249	5.4
177.12766	4.0
179.14311	4.3
184.07249	7.1
189.12814	9.0
207.13817	31.8
225.14891	3.1
227.12770	8.6
239.17999	3.6
255.15979	9.0
257.18954	10.5
269.17383	16.0
273.30225	3.7
275.19995	34.8
281.17468	67.7
349.23587	21.2
377.04840	3.6
461.28915	30.1
475.30508	100.0
476.30832	6.6
511.17322	3.4
537.35449	3.8
555.36737	47.2
619.34631	5.9
654.29755	3.3
699.42798	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	771.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.1
65.70393	1.6
70.08505	4.5
78.66914	1.6
83.03652	1.7
98.23439	2.9
111.04440	4.0
120.22154	1.9
135.04410	4.8
139.03925	8.6
163.03850	2.8
181.04965	2.1
205.04752	4.0
221.06020	2.4
223.07571	4.2
225.05531	2.8
249.05585	4.3
251.05190	37.5
255.16457	1.8
262.41684	2.0
262.98010	1.9
267.06668	3.1
277.05084	3.0
279.06760	4.1
295.06192	3.2
296.90689	1.9
323.05588	2.4
325.05908	2.3
337.06247	7.1
362.03809	12.3
363.04700	10.7
381.05743	11.7
457.07849	3.9
501.10321	4.2
519.11499	6.7
543.08972	25.7
547.11823	13.5
561.10046	60.2
562.10620	3.6
563.10193	4.4
591.11047	52.3
592.12170	2.4
609.10773	10.8
748.86560	1.9
771.15149	100.0
772.14819	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	771.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28041	1.4
69.81905	5.6
71.19355	1.5
80.69691	1.6
84.34634	1.4
84.85970	1.7
98.22724	2.1
108.75434	1.7
109.73201	1.7
131.01936	3.1
134.99908	3.2
137.51910	1.8
143.01851	2.4
143.51973	1.6
154.38115	1.6
155.01907	2.8
162.99376	5.0
164.02440	2.2
164.52417	2.0
164.99030	1.8
173.02933	3.3
177.01012	4.3
185.02898	2.1
188.03583	1.7
189.00957	1.9
194.03633	1.6
194.99983	2.2
201.00906	20.9
203.02444	3.3
205.00435	6.5
213.00928	16.6
215.02495	7.0
215.04330	2.4
217.00784	2.1
217.04059	1.9
219.00208	2.4
219.02063	32.6
220.02211	2.2
224.04482	1.9
225.00974	13.5
225.04382	2.2
225.50922	2.1
227.02512	12.2
229.00372	9.7
231.02054	25.6
232.01836	2.8
233.03471	2.0
237.00899	15.5
238.01338	3.3
239.02493	5.2
239.04887	2.1
239.50702	2.8
240.01445	2.2
240.51796	1.8
241.00471	5.5
241.04106	2.9
243.02013	62.2
244.02000	4.4
245.03621	6.8
246.01355	2.1
246.04910	2.2
246.51698	1.8
247.01541	6.3
249.00862	5.6
251.02505	4.3
252.01466	3.2
252.51608	2.1
253.00398	2.4
253.04106	2.9
255.01993	84.2
256.02148	5.9
257.03500	7.6
259.01468	3.4
261.03085	20.5
262.03186	2.8
263.02219	2.7
267.01981	59.4
268.02136	4.5
269.03564	17.0
270.03802	2.0
271.01538	3.1
273.03046	24.1
275.06143	1.9
275.56244	2.2
279.01968	16.3
281.03522	8.9
283.01477	3.3
285.03030	59.8
286.03091	3.5
287.04626	2.8
291.01993	5.6
293.03564	4.0
297.03061	31.9
298.03217	4.6
303.04129	32.7
305.07074	2.8
306.03674	2.6
309.03024	18.0
311.04596	2.8
311.57169	2.2
315.04211	9.7
321.02829	2.8
321.05481	2.2
327.04117	22.5
339.03955	12.8
345.05142	31.3
346.05063	2.0
351.04013	2.3
357.05157	17.7
358.05386	2.8
363.06128	7.3
367.03711	2.7
369.05127	32.6
375.05859	3.1
381.04782	9.9
387.06064	16.1
393.07587	1.9
399.05923	5.1
405.07303	12.2
407.10236	3.6
407.60538	1.9
408.10751	3.0
417.07147	5.2
422.60864	2.0
429.07059	26.8
430.07382	2.5
447.08356	25.4
459.08585	8.3
459.58917	2.7
465.09412	14.1
471.08441	4.4
477.09143	4.0
480.08734	2.4
488.62943	6.1
489.09274	89.2
489.59351	5.3
490.09030	8.8
503.63446	3.3
507.03506	2.2
507.10535	37.8
508.10318	3.5
510.09897	5.6
518.64227	3.5
519.10382	37.4
519.60370	3.2
520.10498	5.5
525.11365	3.1
531.10248	17.6
537.11523	24.3
538.11560	3.4
548.65088	3.4
549.11432	100.0
550.11414	12.3
567.12616	8.0
591.12506	9.2
592.13300	2.3
601.11987	2.0
609.13342	4.5
681.06702	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70287	0.6
62.98241	4.9
64.08942	0.6
68.32993	0.7
70.14159	1.6
87.04484	1.5
90.97729	1.1
104.07088	2.3
104.99258	33.6
116.99246	14.3
117.00011	0.5
119.00826	1.9
131.00764	1.2
131.97943	1.2
135.00294	15.5
143.00925	0.6
147.00270	3.1
159.00255	0.8
165.01337	7.9
168.75528	0.7
171.00305	1.4
177.01305	4.2
185.04184	1.3
189.01317	5.9
203.05281	1.4
207.02467	0.7
214.74066	0.6
225.03464	6.9
227.05206	0.9
249.03441	2.9
267.04474	35.1
275.07413	1.0
297.05688	3.1
309.05588	2.6
327.06503	0.9
347.09518	3.4
355.82300	0.8
365.10516	9.7
387.08685	17.6
407.11639	0.9
411.08704	2.9
429.09747	100.0
430.10010	3.0
437.12363	0.8
459.10736	1.9
467.13501	1.1
471.10818	1.5
489.05063	0.7
489.11887	3.0
509.14325	1.3
527.15765	40.5
528.16058	1.9
531.12994	2.2
549.13586	4.0
689.20966	24.5
690.20593	1.7
711.19202	41.9
712.19257	2.3
761.57477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.7
55.02029	0.7
55.05431	10.7
55.05734	1.9
57.03356	4.3
57.06994	1.7
57.07246	0.6
57.72071	0.5
59.04932	1.0
61.02840	14.4
61.03189	2.0
65.03885	0.8
67.05412	21.3
67.05807	2.3
69.03335	7.5
69.06975	9.7
69.07388	1.1
69.08796	2.1
69.09223	2.0
71.01288	1.4
71.04897	1.8
73.02821	7.6
79.05396	17.1
79.05888	1.3
81.03316	4.1
81.06953	21.1
81.07482	1.6
83.01270	0.6
83.04894	1.7
83.08521	4.6
85.02890	13.3
85.03349	0.7
85.06458	0.9
87.04382	0.9
91.03849	7.5
91.05468	16.5
93.07034	16.0
94.07320	0.6
95.04961	3.4
95.08594	17.2
95.09142	0.9
97.02883	12.0
97.06407	2.3
97.06944	0.5
97.10164	2.6
98.22688	1.3
99.04374	1.1
101.02264	2.2
105.04404	1.3
105.07016	13.7
105.07652	0.6
107.04884	1.2
107.08585	10.5
109.02793	1.1
109.06414	1.4
109.10138	6.6
111.04408	0.6
111.07967	0.8
113.05882	0.5
115.03825	1.0
115.05339	2.0
117.07003	8.4
119.08562	14.0
121.06417	1.0
121.10110	6.8
123.07977	1.0
123.11587	2.1
125.09554	0.8
127.03788	2.3
128.06241	3.1
129.05441	0.7
129.06995	9.3
130.07671	0.7
131.08546	12.0
133.06393	0.7
133.10118	8.6
135.11665	4.3
139.11079	0.8
141.06950	5.8
142.07648	2.5
143.08549	11.3
144.09297	0.9
145.04831	1.0
145.10101	13.5
147.11664	4.9
149.09566	1.0
149.13136	2.4
153.06850	1.5
154.07684	1.1
155.08542	11.6
156.09172	1.7
157.10109	10.7
159.08020	0.6
159.11667	8.8
161.13245	2.6
163.11081	0.7
163.14641	0.8
165.06856	1.3
166.07709	0.7
167.08546	4.7
168.09213	1.7
169.10112	11.2
170.10794	1.2
171.11673	10.8
173.13252	5.3
175.14685	1.7
179.08545	2.7
180.09227	1.0
181.10091	8.1
182.10793	0.8
183.10184	0.9
183.11668	13.0
184.12184	0.8
185.11723	0.8
185.13214	8.5
187.11139	0.8
187.14799	3.3
189.16232	1.1
193.10103	3.0
194.10815	0.9
195.11665	7.2
196.12386	0.7
197.13232	7.6
199.13091	0.8
199.14828	4.9
201.16310	1.3
207.11746	2.5
209.11641	0.6
209.13226	7.3
211.14813	5.3
212.15178	0.7
213.16400	3.4
219.11676	1.3
221.13129	2.3
222.14009	0.7
223.14818	4.9
224.15318	0.8
225.16376	4.0
227.17815	2.0
233.13185	1.1
235.14693	1.7
237.16397	3.3
239.17795	2.1
241.19475	1.5
247.14761	1.1
249.16283	1.7
251.17767	1.9
253.19519	1.3
259.20560	0.8
263.17892	0.9
265.19379	1.5
267.21127	0.8
269.18823	0.7
279.21109	1.0
293.18744	0.8
307.23767	0.6
309.21777	0.9
323.23514	1.7
335.25900	0.8
337.25055	1.1
339.26859	0.7
351.26749	1.9
361.25159	0.7
363.26443	0.9
365.28278	0.8
369.27466	0.6
375.26660	0.7
377.28513	0.9
379.30035	1.0
391.30173	0.8
395.29416	0.8
407.28754	0.7
409.31085	0.8
435.32474	0.6
447.32504	1.0
449.34277	0.6
487.34448	0.7
501.35843	1.3
515.37781	0.8
517.40546	5.7
518.40680	0.8
535.41565	3.3
539.37384	2.2
540.37903	0.8
541.38794	1.4
553.43445	0.7
573.42719	0.9
591.44012	6.2
607.43097	2.1
609.45044	100.0
610.45477	7.0
611.46655	0.9
651.45923	0.7
735.48120	0.6
753.49152	1.7
771.50342	21.5
772.51538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
57.64532	1.2
60.72644	1.1
61.02929	2.4
69.03425	11.0
69.84524	2.2
69.84898	2.2
73.02917	2.2
81.03419	7.6
85.02902	26.1
87.00821	11.1
97.02879	10.6
99.04454	2.5
105.01871	10.9
109.02868	9.1
111.04443	3.5
119.08604	1.7
127.03899	17.4
127.04749	1.7
129.01796	1.4
135.04414	3.0
139.03894	5.3
145.04961	4.6
159.02921	2.9
162.05461	2.0
163.03870	1.9
165.06992	1.8
179.08484	2.4
181.04926	4.3
188.07066	2.2
191.08543	1.4
193.06500	1.7
193.10092	2.1
206.10867	2.8
208.08810	2.3
213.03966	1.4
216.06607	1.8
216.09297	2.5
219.08125	1.6
220.08897	1.4
221.09572	3.2
221.13254	10.4
225.09135	1.3
226.10004	2.4
231.04857	5.6
233.09586	1.2
234.07524	2.4
234.10335	4.5
237.12869	1.4
238.09821	3.1
239.10587	2.9
239.14284	2.3
240.11441	2.0
247.11154	1.5
247.16849	1.3
249.05928	2.0
249.12721	27.5
252.11411	1.6
267.13779	76.0
268.14154	4.0
273.12784	1.5
280.10892	1.9
281.15216	1.3
285.14835	100.0
286.15140	3.6
291.13971	2.1
295.05908	5.2
295.13235	15.4
299.12857	2.7
299.16443	3.8
309.14716	3.3
313.14377	19.5
323.05487	5.5
327.15884	31.6
345.12729	2.6
345.16937	48.2
346.17352	2.9
369.16754	3.5
387.17944	4.0
470.33325	1.6
497.18198	1.6
765.65356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03417	0.5
61.02914	1.0
66.92621	0.5
67.61314	0.4
69.03430	2.9
70.73272	0.7
71.04987	0.9
79.05474	1.2
81.01537	0.5
81.03404	4.3
85.02898	19.3
87.00826	3.2
91.05475	2.1
94.04173	1.8
95.04963	1.2
97.02869	2.7
99.04450	11.0
103.03932	25.0
103.05445	6.5
105.01863	2.6
105.07014	5.0
107.04959	1.6
109.02838	4.0
109.06516	1.0
115.05434	0.6
116.18378	0.5
117.03394	0.6
117.07012	1.0
121.06487	3.3
121.11794	0.5
122.03662	5.5
127.03913	23.1
129.07002	1.7
131.04918	10.7
133.06479	18.7
135.04382	1.4
135.08037	6.5
137.05965	100.0
138.06326	1.8
143.08534	1.1
145.04944	16.7
145.06367	3.7
147.08043	1.5
149.05975	1.4
151.07533	6.1
157.06487	1.8
159.02872	1.2
160.05261	0.6
161.05984	1.2
163.03960	5.2
163.06012	18.2
163.07530	30.4
164.07933	0.6
171.07993	1.3
174.06726	1.0
175.07550	3.0
177.09125	0.9
187.07495	1.4
188.08388	0.9
189.09061	3.1
201.09106	0.6
203.10616	3.3
219.09966	0.7
229.08548	1.3
231.05064	1.1
235.11168	1.1
244.18121	0.5
248.08128	0.5
263.10660	1.7
295.13272	17.7
326.98273	0.5
327.15881	37.5
328.16391	1.3
345.16962	5.1
346.17325	0.7
351.16016	2.8
369.16934	1.7
411.17969	2.1
417.17007	0.7
435.17825	1.4
453.19205	1.0
487.74420	0.5
561.81256	0.5
593.35815	0.6
607.49969	0.6
652.11279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89053	3.6
55.01873	23.4
55.05508	56.1
57.03436	30.4
58.06596	14.4
59.04985	4.9
61.02926	8.4
65.03941	4.2
67.05154	6.2
67.05500	78.6
67.05863	4.6
69.03423	14.3
69.07068	45.1
69.81609	8.4
70.06577	9.0
71.04984	12.0
72.04505	12.0
73.02949	3.2
74.54388	2.9
79.05491	86.1
81.03413	46.3
81.07053	91.6
83.01362	11.7
83.04978	28.2
83.08616	33.2
84.08136	4.7
85.02899	24.6
85.06528	4.7
86.06080	20.6
86.09695	3.0
91.03947	4.6
91.05473	72.6
93.07042	86.3
95.04962	32.2
95.08609	37.2
97.02885	12.7
97.06516	21.4
97.10176	24.6
99.04471	4.2
105.04511	5.4
105.07021	50.3
107.04939	20.6
107.08585	55.8
107.11037	3.5
108.61430	3.4
109.02857	3.7
109.06519	13.9
109.10161	18.2
111.04449	6.1
111.08073	13.1
115.05481	4.2
116.07075	4.4
117.07025	25.0
119.08575	40.1
121.06493	9.1
121.10151	27.9
123.08069	15.2
123.11711	4.0
125.09598	16.6
127.03917	5.4
128.06310	3.2
129.07021	11.1
130.07784	5.0
131.08554	28.5
133.10115	27.9
135.08052	8.3
135.11699	25.3
137.09610	7.3
143.08545	6.9
145.06583	3.7
145.10114	35.4
147.08041	7.7
147.11679	20.5
149.09601	15.0
149.13263	11.3
151.11142	4.7
157.10167	8.1
159.07965	3.4
159.11723	10.1
161.09492	3.4
161.13150	3.0
163.11186	29.0
169.10101	3.0
173.09584	5.2
173.13263	6.9
175.11224	9.2
177.09259	3.0
181.12221	4.5
183.11732	3.9
189.11230	9.0
191.10797	4.1
193.12170	22.5
195.13826	5.8
198.14900	7.1
209.11742	6.7
211.13245	26.5
219.13736	3.4
223.13324	9.8
227.12752	26.2
253.14310	5.1
255.15923	6.6
257.19016	8.7
261.44226	3.2
267.15994	16.7
269.17526	22.6
273.18539	10.9
275.19968	29.7
283.15372	100.0
285.17062	26.8
289.17880	4.5
291.19553	54.6
335.25797	6.5
349.23657	27.7
365.23248	20.6
400.49033	3.3
453.24600	7.5
463.26837	17.6
477.28476	83.0
478.28665	4.7
539.33466	4.9
548.39636	5.7
557.34735	64.7
558.34747	6.0
566.40509	6.6
575.35791	39.6
610.42761	8.3
728.45496	4.5
772.48126	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	16.0
55.05510	30.3
56.81820	1.5
57.03433	23.0
57.07074	2.5
57.75145	1.6
58.06593	13.4
59.05014	2.9
59.77811	1.6
61.02919	6.9
65.03944	4.2
67.05501	82.9
69.03428	12.5
69.07064	31.7
69.82494	4.6
70.06592	5.2
70.36349	1.6
70.47066	1.6
71.04995	10.6
72.04512	8.7
73.02912	3.0
77.03924	2.8
79.05491	73.8
81.03411	38.9
81.07051	100.0
83.01340	6.6
83.04972	24.0
83.08625	22.7
85.02896	12.5
85.06548	5.7
86.06064	13.8
86.09718	2.3
91.03970	2.1
91.05476	64.4
93.07041	70.8
95.04965	27.0
95.08602	39.8
97.02881	8.4
97.06531	25.1
97.10159	9.9
98.09715	2.7
98.23358	2.3
99.04458	5.3
99.08109	3.6
103.05473	2.8
105.04513	2.9
105.07023	52.2
107.04950	19.0
107.08587	52.2
109.02863	2.0
109.06511	17.4
109.10153	28.0
111.04453	2.7
111.08057	13.0
113.06045	2.8
115.05424	3.2
116.07082	3.0
117.07018	17.5
119.08581	27.9
121.06503	10.0
121.10132	24.4
123.04455	2.3
123.08086	10.7
123.11719	5.7
125.05997	2.2
125.09640	5.7
127.03985	2.3
129.05524	3.1
129.06985	10.4
130.07800	3.4
131.08560	26.7
133.06503	6.0
133.10129	38.6
135.08084	8.0
135.11690	20.2
137.09621	6.4
142.07790	3.5
143.08559	5.2
145.10094	22.5
147.08057	6.3
147.11679	8.6
149.01288	1.9
149.09656	11.5
149.13252	13.3
151.11180	10.8
153.09081	2.1
155.08534	4.9
157.10175	8.4
159.08032	5.1
159.11670	9.5
160.62660	1.7
161.09654	3.9
161.13318	3.0
163.07556	2.0
163.11165	17.1
169.10094	2.4
169.12233	2.5
171.11694	5.1
172.53883	1.9
173.09654	5.4
173.13249	4.5
175.11195	6.6
177.09070	1.9
177.12740	5.3
179.50092	1.6
181.12314	3.1
184.07343	4.7
185.13228	2.7
187.14767	2.2
189.11221	2.8
191.10651	2.5
193.12242	17.9
195.13857	7.7
196.13396	2.0
198.14969	6.1
209.11711	5.5
211.13239	21.4
213.14925	2.6
219.13898	2.4
223.13208	2.5
227.12726	9.2
229.14149	2.9
251.12572	2.4
253.14255	19.3
255.16002	5.5
257.19061	4.3
267.15884	12.1
269.17441	39.8
270.17291	3.8
273.18457	9.9
275.20059	12.6
283.15387	57.9
285.16998	18.9
289.17987	11.4
291.19519	16.1
293.17783	1.8
307.19080	5.5
315.03427	2.2
335.25842	3.7
347.22089	4.7
349.23703	13.3
365.23190	13.9
367.24835	2.2
381.22672	4.8
413.21729	3.3
437.25186	5.0
445.26398	2.2
461.29016	1.9
463.26846	19.9
477.08801	2.7
477.28448	81.8
478.28931	5.9
481.28003	5.9
539.33795	3.2
548.39191	6.7
557.34735	27.5
566.40411	6.1
575.35687	30.5
592.41974	4.1
610.42914	10.2
621.32312	2.7
699.35461	3.6
772.47974	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	772.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.1
55.05508	7.0
57.07057	1.5
62.06062	1.9
67.05498	20.1
69.07065	8.2
78.26386	1.3
79.05489	10.0
81.07049	36.0
83.04969	3.3
83.08595	3.4
83.09035	1.3
86.09694	3.1
91.05468	6.2
93.07029	8.8
95.08592	15.1
97.06532	1.8
97.10106	2.3
105.07014	4.9
107.08580	7.1
109.06519	11.0
109.10166	6.3
111.04427	16.6
117.07064	1.4
119.08564	4.4
121.10149	7.1
123.11693	2.7
125.05972	4.8
131.08549	3.0
133.10100	5.8
135.08078	3.2
135.11678	3.8
137.05965	100.0
145.10062	1.7
147.08055	1.8
147.11659	7.8
149.09587	3.3
149.13237	2.4
151.07495	2.3
161.09590	7.1
161.13225	3.7
163.11082	3.3
165.09119	2.5
165.12804	1.5
174.33806	1.2
175.11172	4.3
175.14864	1.3
179.10651	1.6
184.07353	9.1
193.12177	2.4
199.62967	1.2
203.17960	5.6
213.16458	3.2
221.18866	1.6
222.02773	1.5
231.17407	8.5
249.18527	7.5
277.17947	47.9
287.72006	1.3
295.19037	12.3
306.28033	1.7
320.21936	6.3
337.27243	13.7
351.21725	8.6
409.88644	1.4
431.18115	1.4
482.14572	1.8
613.44537	73.5
614.45056	8.0
631.45660	14.8
632.45935	1.8
670.18817	1.8
736.45081	1.6
772.48700	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.4
55.05508	20.6
57.03433	15.4
61.02910	3.6
67.05497	70.1
68.97227	2.1
69.03413	3.9
69.07055	13.2
69.47346	11.1
71.04974	7.3
79.05483	56.3
81.03406	27.6
81.07050	69.7
83.01353	3.4
83.04977	13.1
83.08592	12.1
85.02910	8.8
85.06512	3.5
86.09679	5.2
91.05463	36.2
93.07035	64.1
95.04977	14.8
95.08598	45.1
97.02888	13.0
97.06518	11.5
97.10154	3.9
98.23421	2.8
105.04481	3.5
105.07012	22.0
107.04933	15.2
107.08575	37.7
109.06509	9.3
109.10139	15.6
111.04422	28.5
111.08052	3.9
111.92953	2.0
113.05979	2.9
117.07002	18.9
119.08564	24.8
121.06493	6.9
121.10139	23.0
123.08068	7.5
123.11728	4.4
124.99994	3.2
125.05988	7.4
125.09699	3.7
127.74196	2.3
129.07013	4.5
131.08559	16.4
133.10115	7.2
135.08005	3.1
135.11676	22.4
139.11206	2.3
143.08591	3.0
145.10101	29.8
147.11667	5.6
149.13301	3.2
153.12741	9.4
155.08559	6.2
158.01591	2.3
159.11720	4.3
161.13274	5.2
163.11156	27.6
167.14307	2.7
173.09621	6.2
173.13271	4.9
181.12268	5.8
184.07356	8.8
185.13094	3.1
187.11215	2.1
191.10635	7.2
191.12234	2.4
209.11702	13.2
223.13248	15.8
227.12756	10.1
241.14287	29.5
243.12415	2.3
251.52805	2.1
261.22079	12.6
265.14255	6.6
283.15402	18.1
315.17999	35.7
335.25775	97.4
336.26120	4.0
398.28754	2.0
433.31253	2.4
451.31973	4.0
525.35962	11.1
543.36737	64.0
544.36560	3.9
575.39325	100.0
576.39514	7.7
609.45496	3.4
610.45056	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	773.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08694	4.4
70.09027	6.6
72.93806	5.7
79.20358	3.6
89.03895	5.9
90.94817	4.2
135.04419	8.2
163.03922	8.8
165.07091	7.3
176.96472	4.7
178.97931	5.9
181.06520	3.2
182.97339	7.7
187.03941	5.9
193.06418	5.2
194.97385	31.8
196.98735	3.7
197.05972	3.7
199.97615	5.2
200.98523	4.3
205.06519	14.7
206.97403	14.7
208.06317	3.9
208.99011	5.7
212.98407	20.0
218.97362	5.4
221.05902	20.0
223.07582	10.2
224.98421	22.9
225.05449	8.5
225.99109	4.5
227.00012	5.5
233.05963	9.4
234.96796	15.4
236.98380	6.3
249.05597	17.1
249.07631	3.5
251.07005	9.3
252.97853	25.8
264.99707	4.5
267.00964	6.5
268.98904	7.0
276.99490	13.1
279.06534	6.9
280.98953	7.8
283.00287	4.6
284.98499	5.1
286.99802	3.8
292.98767	20.5
295.00607	19.0
295.05872	18.4
297.07465	5.6
299.00006	5.6
304.98978	11.9
305.04510	5.0
307.00452	6.6
308.98444	16.3
310.99942	18.7
312.00851	4.4
313.01682	4.3
320.98456	30.1
321.99255	10.2
323.00015	41.7
324.97906	8.2
325.01593	7.7
326.99405	9.0
332.98367	7.7
335.97144	5.4
336.97821	12.1
337.98788	5.0
338.99448	30.1
340.00281	6.5
341.01071	12.6
342.98801	7.0
345.00653	7.7
348.97913	21.8
349.98428	8.1
350.99493	73.7
351.03622	5.5
352.00134	7.1
352.97122	5.5
353.98257	5.0
354.98654	6.7
357.00531	6.4
364.97089	16.0
366.98996	48.7
367.99588	11.0
369.00534	52.8
370.98373	3.7
376.97205	4.7
378.98666	4.2
380.96579	6.9
382.98511	8.0
383.99423	3.7
384.99921	15.5
387.01614	27.3
394.98410	36.2
412.99478	33.6
428.03168	7.7
431.00702	5.2
433.02411	16.6
439.02243	5.5
444.02789	9.8
455.01865	4.3
460.02383	5.6
475.04172	6.0
485.03073	18.3
487.05005	9.8
501.02969	4.9
503.04227	100.0
504.04572	3.7
513.02838	18.1
519.02759	4.4
521.04736	8.4
529.02100	34.1
530.72778	3.3
531.03802	24.3
547.02826	15.4
549.04871	45.4
557.01617	5.8
565.03967	13.6
575.02576	31.9
593.03619	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2128
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01866	0.2
55.05485	0.2
57.03214	0.1
57.03435	1.5
61.02918	0.3
68.99799	0.2
69.03423	0.9
69.60352	0.3
69.60738	0.4
70.87792	0.1
71.04988	8.0
73.02898	0.2
73.99522	0.1
74.63672	0.2
81.03408	0.6
83.04967	0.4
85.02900	11.2
87.04444	0.3
97.02876	1.2
98.22650	0.3
99.04465	0.4
109.02872	0.6
111.00785	0.6
111.04415	0.4
121.02868	0.9
127.03897	0.7
129.05469	2.2
137.02341	2.6
140.40010	0.2
145.04945	0.6
145.82967	0.2
147.06505	0.4
148.24701	0.2
149.02350	0.3
151.09811	0.2
153.01814	2.6
161.05980	0.2
163.03894	0.7
165.01845	1.9
166.02524	0.2
183.02859	0.7
187.03969	0.3
195.02855	0.4
201.05464	0.8
206.36710	0.2
213.05389	0.2
228.04169	0.2
229.04913	3.1
230.22507	0.2
247.06046	0.7
257.04446	2.2
274.04755	0.8
275.05630	0.3
285.03928	1.3
287.05466	0.4
303.04956	100.0
304.05322	3.0
345.05954	0.4
465.10272	21.1
466.10406	1.0
554.72510	0.2
615.47052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05508	2.1
57.03432	1.6
60.51989	0.4
61.02919	4.6
67.05500	5.0
69.03426	3.7
69.07068	2.5
69.22110	1.8
69.22523	0.9
71.04999	0.6
73.02911	3.2
75.67924	0.5
79.05488	5.8
81.03426	2.0
81.07036	4.4
83.04978	1.4
83.08598	1.2
85.02886	3.4
91.03938	2.4
91.05463	3.6
93.07045	4.3
95.04980	2.2
95.08617	2.2
95.10807	0.5
97.02879	4.9
97.06510	0.5
97.10145	0.9
98.22755	0.8
99.04463	0.7
101.02374	1.4
105.07027	3.4
107.04965	0.9
107.08624	2.0
109.02905	1.0
109.10139	1.0
109.31914	0.5
117.07008	0.8
119.08579	2.4
121.10114	0.9
123.07094	0.5
123.08028	0.7
125.09669	0.8
127.03872	0.8
129.07004	0.8
131.08540	0.5
133.10109	1.0
135.08032	0.6
137.09764	0.5
145.10138	0.5
147.11665	2.3
153.07147	0.5
161.13303	0.6
171.11722	0.8
184.07292	0.5
223.13347	1.3
243.08400	3.5
247.13136	1.4
291.19516	0.7
331.19104	1.2
465.14365	0.8
465.20877	10.9
465.27039	0.9
549.26624	4.9
773.40674	100.0
774.41089	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	773.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.05506	2.6
57.03414	1.2
57.26078	0.7
58.06601	1.0
61.02942	4.6
67.05502	6.3
69.03422	3.0
69.06747	0.7
69.07047	4.0
69.19397	1.5
69.19802	3.6
71.05027	0.7
73.02901	3.7
75.99472	0.7
79.05483	7.1
79.56479	0.7
81.03420	2.7
81.07054	5.9
83.04973	1.7
83.08598	1.1
85.02908	3.2
85.06538	0.8
91.03969	1.4
91.05464	5.5
91.23914	0.7
93.07030	5.6
95.04948	2.3
95.08615	3.5
97.02882	3.3
97.10148	1.2
99.04432	0.7
101.02400	1.0
105.07001	3.6
107.08611	3.1
109.02903	0.7
109.10177	1.4
117.06989	1.1
119.08592	3.1
121.10161	1.2
123.08094	1.3
125.09624	1.4
127.48212	0.7
131.08501	0.9
133.10121	1.6
137.09631	1.3
145.10129	1.3
146.01848	0.8
147.11739	2.7
163.04161	0.8
184.07394	2.1
185.04271	0.9
185.22787	0.9
207.96114	0.8
223.13245	1.0
232.31908	0.9
243.08340	3.6
247.13054	2.0
265.79807	0.8
279.56134	0.8
291.19720	2.4
327.97083	0.8
331.18701	1.9
463.38214	1.0
465.20880	10.0
466.21512	1.0
549.26721	3.2
773.40674	100.0
774.40833	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	773.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03439	1.3
61.02928	4.5
67.05495	4.9
69.03428	3.0
69.07066	2.0
73.02918	3.0
79.05482	5.5
81.03410	2.8
81.07048	4.7
85.02901	4.8
91.03955	1.9
91.05475	6.0
93.07039	5.9
95.04984	2.8
95.08611	3.1
97.02872	4.6
101.02370	2.3
103.58166	1.0
105.07056	4.3
107.04916	1.7
107.08593	1.4
109.10175	1.4
119.08590	2.4
123.08165	1.0
125.00004	1.0
127.03928	1.4
129.06955	1.2
131.08588	1.0
133.10149	2.5
135.97849	0.9
145.10129	1.4
147.11674	2.5
151.11156	1.1
165.43362	0.9
171.11671	1.6
184.07349	5.8
185.48477	0.8
243.08461	3.1
261.71005	0.9
281.17484	1.0
313.17715	1.5
331.18976	2.2
465.20877	10.7
531.25836	1.3
537.23047	1.5
545.00323	0.9
549.26807	2.9
675.33508	2.2
755.39697	11.2
773.40723	100.0
774.41022	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	774.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.3
57.03429	2.3
65.03941	0.7
67.05489	2.4
69.03423	1.6
70.06584	0.6
71.04985	4.5
77.80766	0.5
79.05502	0.5
81.03423	1.0
83.04972	49.2
84.05281	0.9
85.02895	100.0
86.03237	1.3
87.04467	1.3
91.05475	4.9
95.04946	0.7
97.02859	0.9
99.04440	1.1
103.05440	0.7
105.07016	0.9
105.61883	0.6
107.04930	1.1
109.02884	1.0
111.04433	33.7
112.04781	0.8
113.06010	1.4
115.03900	0.7
115.05441	0.8
117.05449	0.7
117.06998	1.1
119.04950	2.8
121.06448	0.8
126.01123	0.6
127.03899	7.4
129.05464	19.2
129.06937	0.8
130.05745	0.8
131.04936	2.0
134.11313	0.6
135.04382	2.5
137.05969	8.6
143.05019	0.5
145.04950	0.5
145.06468	1.3
147.04393	1.6
147.08055	3.9
149.05984	0.8
151.03888	1.2
151.07532	8.1
153.05461	0.7
156.34792	0.5
159.08011	0.9
160.05132	1.1
161.05971	1.4
163.03873	3.4
163.07550	1.4
165.09082	0.7
167.07018	1.2
171.06508	89.8
172.06856	1.2
173.05933	0.8
175.07529	34.6
176.07912	1.0
177.05511	1.0
179.07021	1.8
181.01031	0.6
181.04938	1.4
187.07550	0.6
189.07552	6.1
189.09087	1.0
191.07051	1.1
193.08571	17.0
199.07407	0.7
203.06932	1.2
205.06938	0.6
205.08612	4.1
213.09015	0.6
215.06970	1.0
217.08577	1.1
219.07994	0.7
231.08585	16.9
233.08057	1.1
235.09613	0.8
258.69998	0.5
259.09656	3.6
264.07672	0.6
265.08514	0.9
268.59744	0.5
277.10614	1.9
279.10025	1.1
299.12668	2.1
311.12787	3.3
319.11533	1.2
329.13901	1.0
337.12579	0.6
341.13562	0.5
409.16174	0.5
413.46182	0.6
439.17197	0.7
455.16159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.3
57.03432	3.9
57.07070	1.4
62.06085	38.8
65.03941	1.3
67.05157	1.5
67.05500	20.6
69.07063	9.5
69.09221	6.4
71.04959	0.9
78.31411	1.0
79.05482	4.7
81.07051	20.1
83.04977	1.3
83.08609	5.3
87.01881	0.9
88.99536	0.9
91.05465	4.3
93.07024	6.3
95.08599	17.7
97.10160	2.8
98.98457	6.6
105.07005	2.5
107.08596	3.7
109.10136	7.3
112.97400	0.9
119.08605	2.9
121.10140	3.6
123.11683	1.5
133.10109	2.3
135.11658	1.5
137.13196	1.2
147.11661	1.1
149.13246	1.0
155.01004	5.8
155.17537	0.9
173.02151	1.6
175.14824	0.9
181.10172	1.0
185.09659	1.2
197.09610	1.8
207.07976	1.0
208.12512	1.0
209.09590	1.9
213.09091	0.9
216.06317	3.8
218.10773	0.9
222.10483	1.7
236.11894	2.1
237.09044	3.6
237.12759	1.6
239.07065	1.6
245.22656	1.8
249.09048	1.9
250.09908	1.3
251.14310	15.6
253.08505	2.2
254.09392	14.4
255.10033	1.8
263.23691	6.3
264.11447	2.9
267.10223	2.2
268.10916	9.3
269.15475	1.2
279.13824	11.9
282.12445	8.4
297.14828	84.7
298.15244	3.2
306.27896	10.5
319.12964	4.0
320.13309	2.0
337.27347	100.0
338.27664	4.9
417.24075	4.3
460.28207	27.2
461.28308	1.6
478.22363	1.9
478.29285	32.3
479.29584	1.5
534.39868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	12.8
55.05508	40.0
57.03434	21.2
61.02914	5.1
65.03946	5.1
67.05158	5.2
67.05505	77.6
69.03429	14.0
69.07066	37.6
69.77818	4.9
69.78169	4.8
71.01340	2.5
71.04988	13.3
79.05491	85.8
81.03413	94.1
81.07056	100.0
83.04978	28.1
83.08624	39.7
85.02901	30.3
85.06534	5.0
91.05475	82.5
92.05860	2.3
93.07047	65.5
93.07606	4.6
95.04967	50.6
95.08598	38.3
97.02901	10.4
97.06531	20.2
97.10178	12.3
98.22730	3.9
99.08035	2.9
105.04533	3.5
105.07024	61.8
107.04939	16.3
107.08593	41.0
109.02879	3.1
109.06536	12.0
109.10150	12.6
111.04440	4.8
111.08075	13.4
113.06019	3.3
115.05482	5.3
117.06995	14.1
119.08577	39.3
121.06539	6.8
121.10145	28.5
123.08054	9.5
123.11724	6.5
123.66602	2.2
125.09634	9.0
127.03885	3.1
129.05435	2.9
129.06996	18.6
131.08557	30.4
133.06503	5.3
133.10126	37.4
135.08070	4.9
135.11696	11.7
137.09619	6.8
141.06982	4.5
142.07765	5.6
143.08559	5.8
145.10092	14.2
147.08070	7.4
147.11674	32.3
149.09616	21.3
149.13248	8.7
153.09120	2.8
157.10100	20.9
159.11662	12.3
161.13287	5.0
163.11206	9.9
165.12759	6.6
169.10184	3.2
171.11668	4.7
173.13257	6.2
175.11156	19.3
177.12694	5.2
183.11696	3.5
185.13206	3.3
189.11238	6.1
193.12268	50.4
195.13728	2.9
211.13269	74.5
227.12708	16.5
239.18045	3.1
255.15884	7.3
257.18985	6.6
267.15848	31.0
269.17480	24.6
275.20078	40.1
285.16962	75.7
293.21042	3.8
331.22601	3.0
349.23737	30.2
439.26920	3.4
447.27347	6.6
455.26205	2.2
461.28976	21.3
463.30463	4.2
465.28397	13.9
479.30035	61.4
480.30582	3.3
501.31787	3.1
541.35132	12.0
559.36328	44.6
560.36621	3.8
577.36908	4.0
623.33429	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	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	7.8
55.05505	30.8
57.03434	12.7
57.07056	3.0
61.02922	8.4
65.03931	5.8
66.33057	2.1
67.05497	100.0
69.03410	15.8
69.07058	38.4
69.19656	13.3
70.44261	2.2
71.01359	2.6
71.04995	11.1
73.02914	3.7
79.05481	62.5
79.05945	3.2
81.03408	21.1
81.06564	4.5
81.07048	92.0
83.04973	11.5
83.08614	19.2
83.95699	2.2
85.02892	10.7
85.06535	6.5
86.09713	2.6
91.03956	2.7
91.05473	45.2
93.07039	62.9
95.04963	16.4
95.08590	36.6
95.09132	3.0
97.02876	13.6
97.06532	13.6
97.10163	6.2
98.07307	2.2
99.04445	4.1
101.02347	2.8
105.07015	27.9
107.04944	6.2
107.08573	37.2
109.02886	3.5
109.06502	4.3
109.10141	23.2
111.08058	7.0
117.06987	13.6
119.08583	19.6
121.06507	4.7
121.10130	16.9
123.08044	8.0
123.11722	7.4
125.09624	7.9
125.60273	2.3
127.03874	6.3
129.05461	5.5
129.06995	3.8
131.08565	18.9
133.10106	22.6
135.08031	2.9
135.11664	14.9
137.09599	10.5
143.08534	4.6
145.10115	9.7
147.11679	8.6
149.09624	15.2
149.13283	12.6
151.11185	3.9
157.10103	5.4
159.11710	13.1
161.09541	3.0
163.11157	4.9
165.12743	3.0
169.27283	2.2
171.11642	2.3
173.11690	8.7
173.13069	3.6
175.11111	3.0
177.12750	5.5
177.98785	2.1
184.07283	2.9
189.11208	2.8
193.12082	2.9
195.13782	12.3
227.12842	5.2
229.14363	8.2
243.15939	5.3
253.14252	3.9
257.19089	2.5
267.15915	8.5
269.17429	45.5
273.18365	3.4
275.20044	10.0
285.17020	6.2
291.19482	6.0
344.73743	2.5
349.23782	13.6
365.23157	8.0
423.27289	20.8
437.29041	5.0
447.30835	3.2
479.30115	2.8
501.35764	2.4
543.36719	16.9
559.35968	6.7
561.37640	2.7
774.40338	16.1
775.42218	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	774.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.5
55.05506	22.5
57.03431	19.9
57.07071	1.5
61.02910	1.9
65.03927	3.5
67.05496	72.2
68.48607	1.3
69.03407	4.7
69.07066	18.3
70.33923	4.2
71.04982	5.2
77.03979	1.7
78.76390	1.3
79.05483	52.2
79.05949	2.6
81.03410	93.5
81.07047	70.3
83.04975	8.7
83.08613	24.9
85.02888	1.6
85.06512	2.8
87.14949	1.5
89.89066	1.4
91.05473	44.1
93.07035	47.1
95.04958	29.8
95.08595	45.9
95.09206	2.4
97.02900	2.9
97.06529	5.1
97.10165	7.8
99.08092	1.8
105.04543	1.8
105.07016	30.2
107.04933	8.8
107.08584	26.8
109.06523	5.2
109.10136	21.1
111.04455	1.6
111.08081	8.9
117.07001	7.8
119.08564	24.4
121.06522	4.5
121.10132	23.0
123.08067	3.5
123.11703	6.6
125.09607	3.6
125.23273	1.2
129.06995	11.3
131.08557	23.3
133.06516	2.8
133.10109	17.0
135.11679	13.6
137.09613	2.7
137.13245	2.4
141.27222	1.5
142.07761	2.1
143.07550	1.5
143.08585	2.9
145.10106	11.1
147.08070	4.2
147.11664	14.9
149.09618	5.3
149.13268	6.0
155.08569	2.2
157.10072	8.4
159.11688	6.1
161.13245	5.5
163.14777	3.9
165.12790	2.6
171.11670	1.9
173.13260	5.0
175.11183	6.2
175.14819	1.6
177.16406	1.4
183.11729	1.4
185.13217	2.6
187.14815	3.9
189.11191	4.1
192.06552	1.5
193.12193	20.5
195.11699	1.8
227.12787	6.6
235.13243	3.0
243.21083	5.4
249.14949	2.6
261.22107	20.1
262.68341	1.6
267.15881	100.0
268.16257	4.0
273.07407	1.4
301.25247	6.0
309.16867	2.2
317.24661	3.3
333.24332	1.7
335.25763	95.1
336.26233	5.3
417.31271	1.8
421.26315	1.9
425.33682	1.7
435.27292	2.8
435.32739	3.6
436.76938	1.4
453.33328	7.4
471.34479	4.9
509.35843	3.2
527.37244	60.4
528.37360	3.1
545.38269	44.5
546.38458	1.8
569.38043	3.9
671.41284	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.0
57.03432	10.1
57.07076	2.8
61.02920	4.8
65.03928	5.8
67.02088	2.1
67.05499	77.1
69.03433	5.3
69.07065	17.9
71.04989	34.0
77.03925	2.5
79.05485	48.8
81.03392	6.6
81.07050	100.0
83.04982	5.5
83.08624	12.4
85.02903	2.1
85.06532	8.2
86.09719	5.6
91.05474	65.6
92.04492	2.1
93.07035	56.9
95.04952	11.0
95.08594	32.4
97.02895	4.2
97.06526	8.5
98.22685	4.4
99.08165	2.4
105.04556	2.5
105.07021	62.6
107.08588	28.6
109.06518	4.2
109.10138	17.3
111.08062	5.4
115.05415	2.1
117.06992	17.4
119.08567	40.2
121.06489	2.7
121.10135	21.8
123.11694	12.7
125.09618	5.1
129.07019	6.7
130.07793	3.9
131.08551	29.7
133.10123	43.8
135.11717	13.6
139.11223	3.0
141.07005	2.1
142.07721	3.3
143.08553	10.0
145.10123	18.2
147.11665	22.7
149.13234	9.5
151.11198	9.5
155.08572	4.4
157.10115	11.0
159.11682	18.6
161.13216	13.6
163.11206	2.5
169.10095	3.9
171.11656	14.2
173.13272	7.9
175.11310	2.1
175.14764	3.4
177.12737	4.1
183.11641	3.3
183.13837	2.4
184.07390	9.9
185.13223	9.3
187.13277	2.9
187.14775	3.6
193.12340	2.5
195.11819	3.5
197.13202	2.9
199.14780	5.5
211.14900	3.2
212.68227	2.4
223.66241	2.3
225.39954	2.3
231.21152	3.8
241.19421	7.3
243.15982	3.4
257.17291	3.4
259.20602	28.8
269.17532	6.8
283.20642	3.0
301.19989	23.8
315.23224	8.0
333.24182	30.6
335.25809	6.3
406.95135	2.1
409.30948	4.7
435.32593	4.0
439.48279	2.1
466.21198	3.7
483.34518	5.5
501.35672	73.0
502.36063	4.6
503.37146	6.3
509.36340	3.1
527.37286	45.4
528.37402	3.6
533.38300	7.7
545.38623	4.5
549.26532	3.0
559.40088	24.7
560.40363	2.4
642.39447	2.4
721.45587	2.6
742.08179	2.8
774.27698	3.8
774.41052	62.8
775.40533	7.1
804.02307	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	774.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.4
55.05293	2.1
55.05510	21.2
57.03432	19.4
57.07069	3.2
63.46066	1.6
65.03928	3.4
67.05499	74.7
69.03421	3.7
69.07056	18.3
69.25111	9.3
71.04973	2.2
71.08678	1.9
79.05043	3.5
79.05485	60.5
81.03410	100.0
81.07048	70.9
81.20696	1.6
82.07388	1.9
83.04971	6.6
83.08611	24.0
85.06531	2.3
91.04938	3.5
91.05468	42.7
91.05986	3.2
93.07034	52.1
95.04955	37.2
95.08017	3.2
95.08598	44.4
97.02857	3.5
97.06522	5.4
97.10151	6.0
105.04505	3.8
105.06344	2.9
105.07021	37.3
107.04941	8.1
107.07922	2.6
107.08585	30.8
109.02850	1.8
109.06501	6.8
109.10146	21.2
111.04425	1.6
111.08060	7.1
113.16946	1.6
115.05429	1.9
117.06981	8.5
119.08572	24.0
121.06493	5.6
121.10137	20.1
123.08034	3.9
123.11679	7.0
125.09600	5.9
128.06229	1.8
129.06955	10.7
131.08556	18.9
133.06476	5.4
133.10118	17.8
135.08035	1.7
135.11708	17.1
137.09656	2.1
142.07800	2.6
143.08572	4.1
145.10121	12.6
147.07980	2.1
147.11652	11.5
149.09593	5.7
149.13228	6.5
155.08569	2.3
157.10101	12.6
159.11662	6.6
161.13208	5.4
163.11205	3.6
163.14801	5.1
173.13257	6.2
175.11159	7.0
175.14906	2.0
177.16371	3.0
185.13191	2.1
187.14757	2.8
189.11201	3.5
191.14410	1.8
193.12222	23.3
227.12733	7.6
235.13197	2.2
243.21094	4.5
247.16949	2.1
249.14897	2.5
261.22089	19.7
267.15869	85.6
268.16409	2.3
301.25235	6.2
309.17078	2.2
317.24683	3.9
335.21667	4.1
335.25757	86.9
336.25986	3.9
435.32486	4.1
453.33493	7.5
471.34396	2.4
527.37250	49.5
528.37616	4.8
545.38379	34.6
569.38214	5.2
664.61700	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19801	1.4
57.95686	1.4
224.21237	1.6
301.89905	1.5
336.03751	1.5
471.65851	1.7
775.21942	100.0
776.22668	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	775.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56598	1.0
68.80147	1.1
70.14803	2.6
73.16660	1.1
77.42833	0.9
78.44449	0.9
79.26935	0.8
79.62251	1.0
95.59832	1.0
97.32200	0.9
110.67194	1.0
119.38456	1.2
127.49119	1.1
131.78040	1.1
147.09660	1.0
188.87497	1.1
197.01830	1.0
605.34387	1.1
775.21985	100.0
776.22375	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	775.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
61.01144	2.6
65.03943	3.9
66.42877	0.8
67.05506	1.7
69.03419	2.6
69.34839	4.1
70.06586	18.9
72.08156	1.3
73.38934	1.0
74.00180	0.8
78.04704	3.2
79.05488	2.8
81.03414	1.2
84.04512	1.4
85.02900	6.0
91.05479	6.6
93.03419	1.0
95.04960	3.5
97.02888	2.3
97.06530	1.7
101.07111	1.7
103.05434	2.0
106.04179	2.5
107.04980	4.1
110.03662	2.5
111.04459	1.6
114.99432	1.0
115.05446	9.5
117.06983	9.0
118.06866	25.7
119.04926	5.0
121.06469	0.8
122.03646	1.1
123.04425	9.9
124.05207	3.5
125.06001	2.5
127.05493	1.9
129.06685	1.2
131.04961	1.0
133.06511	0.9
134.03671	0.9
135.04433	1.4
136.89380	0.8
137.05934	7.4
138.03114	1.1
143.04938	1.5
144.05751	1.0
145.06471	15.7
147.04385	7.1
147.08037	1.9
151.03931	3.7
151.07530	1.3
152.04724	2.8
153.05504	3.7
155.06046	8.1
159.09221	2.1
161.05994	1.7
162.06699	1.0
163.03874	1.3
163.07729	0.8
163.09061	3.4
165.05585	1.3
167.07025	100.0
168.07437	1.6
170.05978	2.0
171.06549	4.4
172.05396	1.1
173.05968	20.3
173.07390	1.0
175.07498	2.2
179.07059	2.4
181.04944	70.6
182.05345	1.1
183.11395	1.1
191.07063	2.3
200.13937	1.3
201.05508	1.5
203.06998	4.5
205.08592	7.0
217.08595	1.2
217.11812	4.0
219.06429	1.1
230.72263	1.0
233.05934	1.5
233.08008	7.7
233.09883	0.8
234.08916	1.2
235.07549	1.7
235.09622	9.5
237.09189	1.1
240.57304	1.0
246.12772	3.3
250.06216	1.4
265.08817	1.2
274.12192	7.6
293.08011	1.7
297.11133	1.6
310.08472	1.5
311.09018	1.5
325.10843	2.3
353.09985	0.9
354.10794	0.9
357.13297	7.0
373.19040	10.9
385.12778	37.0
386.13309	3.1
387.14453	4.9
397.13208	1.0
399.14252	1.0
403.14093	2.0
403.19919	2.8
415.13766	5.8
416.14651	1.4
417.15445	10.2
491.83194	1.1
515.28003	1.7
531.27588	2.6
559.26709	5.3
565.20129	1.1
583.21661	0.9
595.21515	1.6
613.22675	18.3
614.22656	1.1
767.97229	1.3
775.27930	28.7
776.28497	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	775.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40723	1.5
64.63147	1.8
64.98524	1.9
65.03943	1.8
67.05504	2.0
69.03411	6.2
69.07654	12.0
70.62494	1.6
71.86038	2.1
73.02888	1.9
79.05480	3.2
80.05008	2.3
81.32783	2.0
82.06577	1.7
85.02905	7.0
91.05495	4.4
93.05786	2.7
93.07046	5.9
94.06562	7.7
95.07325	2.1
95.08589	2.5
96.08118	10.4
97.02880	5.0
106.06550	6.2
107.07339	4.2
108.08102	22.1
109.02918	3.9
110.09687	14.0
118.06491	2.5
120.04446	5.1
120.08086	20.1
121.06500	2.0
122.06017	11.0
122.09664	6.6
124.07619	9.6
132.08191	2.3
134.06023	6.1
134.09662	2.4
135.04405	2.5
136.07564	39.2
138.09132	27.7
144.04422	4.7
146.05989	23.7
148.06442	3.5
148.07564	43.0
150.09129	17.8
152.07057	24.5
160.07549	3.2
162.05461	2.8
163.03894	7.2
164.07059	8.2
166.08621	54.1
168.07913	1.7
172.03941	12.8
174.05582	4.4
174.09119	3.3
176.07050	3.8
177.05356	2.6
183.09178	1.9
190.04984	41.7
194.08112	2.3
197.10658	3.8
198.11469	4.9
209.10635	3.8
210.11464	6.0
211.12227	9.6
212.09351	2.9
212.12892	3.1
218.08054	5.8
221.10686	3.8
222.11446	2.1
223.08788	2.6
223.12254	7.1
224.09570	2.1
224.15076	2.1
225.10188	13.8
226.10913	9.9
227.11795	9.4
229.09761	2.2
229.13306	4.0
233.10631	1.8
235.08693	2.3
235.12164	3.7
236.09169	3.8
237.10170	15.6
238.10922	12.1
239.11780	21.9
240.12601	3.0
241.09697	2.3
241.13312	4.4
249.10185	12.0
250.11014	6.2
251.11739	25.5
252.08902	3.7
252.12556	7.5
253.09666	5.0
253.13350	8.6
255.11342	9.2
256.11987	5.6
257.12970	3.2
259.14456	2.9
262.11047	7.2
263.11807	24.3
264.08865	5.9
264.12439	6.3
265.09833	13.0
265.13095	9.8
266.10440	8.4
266.13275	2.6
267.11237	29.1
268.11951	3.1
269.12820	7.3
271.10983	3.0
271.14401	14.4
273.12314	5.0
275.11459	2.9
277.09647	4.4
277.13486	3.2
278.10468	7.2
279.11264	51.2
280.11942	12.0
281.12759	15.0
282.13403	2.8
283.10751	8.9
284.11456	22.2
285.12299	45.8
286.12714	3.3
287.13745	4.0
291.11185	19.6
292.11893	8.1
293.09583	2.7
293.12701	14.7
295.10852	4.9
295.14081	2.2
296.11536	11.4
297.12302	64.1
298.12930	8.6
299.13907	15.6
305.13242	2.0
307.10751	5.5
309.12314	27.8
310.13022	6.6
311.10187	14.3
311.13892	7.6
313.11816	5.0
315.13559	3.5
316.14340	2.5
319.10773	12.8
321.12372	19.2
323.10263	24.6
324.10989	2.3
325.11755	36.5
327.13339	12.8
328.14145	2.9
337.11765	81.1
338.12234	5.8
339.13370	7.3
343.12927	10.5
357.14551	2.1
358.15509	3.0
359.15875	2.7
362.18643	2.6
370.15286	3.7
372.17041	2.5
386.18912	2.5
390.18018	5.6
392.19550	3.8
400.16455	4.8
402.17981	4.3
404.19717	7.0
412.16431	5.5
414.18005	3.2
418.17459	3.8
421.19904	2.7
422.20676	2.5
424.16464	3.1
430.17438	15.7
431.18188	2.7
432.19092	8.3
436.18710	4.7
442.17447	5.9
444.18549	2.4
446.20694	3.4
448.18600	52.6
449.19473	35.8
450.20074	19.2
458.16739	2.0
460.18597	33.6
461.18890	5.7
462.20114	7.3
472.18832	3.2
474.20328	5.5
476.18015	16.1
477.18765	21.0
478.19632	11.7
487.17285	10.6
489.18411	3.1
490.19675	56.7
491.20117	5.8
492.21121	8.4
567.26031	4.9
585.26459	3.2
586.01190	2.3
595.25311	23.0
608.26019	9.9
609.26270	4.0
611.25006	10.0
612.25024	9.4
613.26477	100.0
614.26917	10.6
625.25311	2.3
634.23663	5.2
636.25134	4.4
652.24915	21.9
653.25690	27.4
654.25763	7.5
757.29791	5.0
775.31586	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	775.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	28.1
62.03875	1.4
62.57364	1.5
67.05516	3.1
68.05837	1.7
69.18800	9.2
76.52837	1.3
77.81199	1.3
81.07049	1.8
83.05004	2.0
84.96044	5.0
91.05482	2.4
95.08591	2.4
98.97575	71.8
110.97545	17.4
112.99118	20.9
116.98613	34.9
116.99402	2.5
123.06512	1.6
124.99140	3.0
128.98587	23.7
131.00157	30.5
134.99649	9.1
135.97513	1.6
140.00214	1.6
140.98604	5.3
143.00157	16.8
144.98067	2.0
146.99631	11.4
149.01215	37.8
151.55724	1.5
152.98636	3.6
155.00212	2.8
158.99643	40.9
159.00972	2.6
161.01245	9.2
166.84262	1.5
167.02246	7.4
170.82565	1.5
170.99632	35.7
171.00946	2.8
172.02766	2.4
173.01225	8.9
175.02739	2.0
177.00708	35.9
182.99666	2.6
185.01241	9.3
187.02693	1.6
189.00703	39.9
191.02261	9.9
194.99614	3.5
195.01785	3.0
199.02823	6.8
200.02406	3.8
201.00653	11.5
203.02260	6.8
207.01875	2.4
209.01120	2.3
212.02374	3.6
213.00661	4.5
215.02226	4.2
217.03833	8.6
219.01762	21.3
227.02342	2.9
231.01764	4.2
231.87070	1.9
233.03333	4.6
237.02800	11.0
261.02829	21.0
275.04370	9.6
276.17529	1.6
279.03857	24.4
291.03876	5.3
293.05408	38.8
297.05057	8.7
302.05511	2.5
309.04852	7.1
311.06531	11.1
317.17896	27.0
321.04901	100.0
335.06543	2.0
335.18939	8.7
339.05838	7.5
352.97723	1.6
358.20404	2.2
362.07651	3.2
381.07013	8.6
399.07986	2.1
437.09653	26.6
455.10748	48.2
456.10995	2.6
477.08643	2.4
478.90735	2.0
539.25024	6.4
553.26953	9.1
571.27844	1.8
715.32123	36.4
716.31573	3.5
775.39648	3.1
803.28748	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23074	2.1
56.96562	26.3
61.02902	2.1
67.05526	2.4
69.25060	8.3
69.25462	4.1
74.72987	2.1
79.05483	3.5
81.03391	2.1
84.32792	1.9
84.96027	4.1
91.05460	2.7
93.07046	3.3
98.97573	72.3
110.96866	3.0
110.97556	18.6
112.99116	22.1
116.98608	34.3
124.99075	2.9
128.98592	21.3
131.00154	30.4
134.99632	7.6
138.96739	2.4
140.00113	2.4
140.98582	6.7
143.00154	15.7
146.99620	11.7
149.01213	37.1
155.00142	3.4
158.99660	30.2
161.01218	9.8
167.02274	9.8
170.99629	37.6
171.00961	3.5
173.01251	7.4
175.02866	2.6
177.00703	34.7
182.99632	3.9
184.07359	2.9
185.01146	8.4
187.02635	2.4
189.00681	35.9
191.02251	13.6
192.97923	2.4
194.99669	4.4
195.01781	3.0
199.02777	8.3
201.00714	13.3
203.02219	8.1
207.01752	2.4
212.02150	3.3
213.00623	5.1
217.03889	7.3
219.01741	18.6
227.02180	4.6
231.01782	2.4
233.03288	4.8
237.02782	10.7
249.69705	2.2
261.02835	21.0
266.27457	2.2
275.04312	14.0
279.03806	25.3
281.05164	2.6
291.03922	4.5
293.05420	35.2
297.04892	7.2
302.05475	2.9
309.04929	5.9
311.06494	15.6
317.17813	26.1
321.04871	100.0
335.18857	6.8
339.05920	7.1
362.07733	2.9
381.06958	6.0
429.64090	2.7
437.09686	25.4
455.10657	46.2
477.08832	3.1
539.25177	7.9
553.26862	10.9
699.35413	4.5
715.20355	3.7
715.32043	48.5
716.31714	3.5
775.40564	23.3
783.60400	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	775.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.05508	3.4
56.02314	0.4
57.03436	1.8
61.02922	5.7
65.17139	0.3
67.05500	5.4
69.03418	4.1
69.07059	3.6
69.31219	2.0
71.01337	0.5
71.04997	1.0
73.02910	3.9
76.04758	0.3
79.05482	4.7
81.03405	2.2
81.07054	3.3
83.01327	0.6
83.04987	1.5
83.08620	1.6
85.02902	4.9
91.03947	2.7
91.05473	2.8
93.07039	3.8
95.04983	1.4
95.08598	2.3
96.50224	0.4
96.68346	0.4
97.02886	5.8
97.06542	0.5
97.10161	1.4
99.04453	0.7
101.02382	2.3
105.07006	2.1
107.04983	1.0
107.08566	2.7
109.02885	1.0
109.06530	1.0
109.10168	1.4
111.08091	0.6
111.97438	0.3
115.03904	0.6
117.07025	1.5
119.08595	1.7
119.68046	0.4
121.06543	0.4
121.10151	1.1
123.08063	0.9
125.09631	1.3
127.03915	1.2
129.07033	0.6
131.08557	0.9
133.10139	0.8
135.08104	0.7
135.11707	1.0
145.10103	1.8
147.08026	0.3
147.11655	0.9
157.10173	0.5
158.32579	0.3
163.11166	2.1
185.04202	0.6
223.13359	1.4
237.01241	0.4
243.08434	3.9
247.13330	0.4
249.10994	0.7
283.15414	0.6
291.19501	1.9
301.08768	0.5
313.08951	0.4
331.18793	1.1
387.21484	0.7
465.20749	0.8
467.18796	6.8
539.20990	0.7
549.26715	6.6
595.27185	0.4
775.38684	100.0
776.38837	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	775.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
57.03436	1.5
67.05495	5.8
69.07061	1.4
71.01342	0.7
71.05013	0.6
79.05489	4.1
81.03434	1.0
81.07046	4.5
83.04970	1.1
83.08598	1.3
85.02895	1.2
91.05489	2.6
93.07053	3.3
94.38147	0.5
95.04993	0.7
95.08573	2.8
97.02875	0.6
97.06572	0.7
97.10133	0.8
105.07011	1.3
107.08616	2.1
109.06466	0.5
109.10165	1.8
119.08618	0.8
121.10124	1.2
125.09611	0.6
131.08539	0.9
133.10129	1.0
134.10497	0.7
146.08075	0.5
184.07326	0.8
209.11716	0.6
229.14369	0.9
261.22159	1.4
267.15921	0.8
287.12033	0.5
299.15048	2.3
300.15533	1.2
335.25681	4.3
336.26260	1.6
340.62122	0.5
411.06754	0.6
481.18457	0.6
519.63495	0.5
546.38379	0.9
551.26294	0.8
560.36804	1.3
775.40173	100.0
776.40479	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	775.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.05513	2.9
57.03440	2.4
61.02925	5.6
67.05491	6.3
69.03426	3.6
69.07082	2.4
69.14253	1.8
69.14667	1.1
71.04987	0.9
73.02912	4.1
79.05482	7.4
81.03417	3.0
81.07049	5.8
83.01336	0.6
83.04968	1.3
83.08649	1.4
85.02896	5.8
87.04501	0.5
91.03943	3.2
91.05479	5.7
93.07035	5.8
95.04950	2.4
95.08609	2.9
97.02895	4.7
97.06532	1.0
97.10151	0.8
99.04471	1.0
101.02393	1.7
105.07001	4.2
107.04951	0.8
107.08596	3.4
108.47654	0.4
108.68646	0.5
109.02878	1.0
109.06527	0.7
109.10159	1.4
117.07056	1.6
119.08549	2.6
121.10148	1.2
123.08128	0.7
127.03948	1.8
129.07091	0.8
131.08615	1.2
133.10168	2.1
135.08101	0.8
135.11714	1.8
140.77452	0.5
145.10182	1.8
147.11749	1.7
161.13258	0.8
163.11302	0.7
171.11815	0.8
184.07401	1.2
185.04230	0.9
223.21825	0.7
243.08354	3.7
247.13104	0.9
249.10985	0.9
303.15683	0.6
317.86533	0.5
331.18857	0.8
333.20331	1.1
439.19849	0.9
465.20926	7.7
467.18961	4.6
549.26752	1.5
551.28229	3.5
775.41248	100.0
776.41748	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	775.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
55.05499	1.6
57.03446	1.7
61.02921	4.4
67.05499	4.7
67.48269	0.3
69.03427	2.7
69.07060	1.9
71.01370	0.5
71.04981	0.7
73.02905	2.9
74.00500	0.3
77.60683	0.3
79.05486	5.6
81.03419	2.1
81.07050	5.2
83.04998	1.1
83.08636	0.8
85.02891	3.0
91.03956	1.9
91.05472	5.0
93.07035	4.8
95.04958	1.6
95.08592	2.6
97.02890	3.3
97.06537	0.7
97.10208	0.5
98.23449	0.7
99.04485	0.8
101.02341	1.6
105.04574	0.4
105.07020	3.3
107.04932	0.7
107.08595	2.3
109.02930	0.4
109.06515	0.7
109.10185	0.7
115.03947	0.4
117.07036	1.0
119.07858	0.3
119.08570	1.9
121.10165	0.8
123.08081	0.5
123.11742	0.4
127.03936	1.0
129.07019	1.0
131.08560	0.6
133.10141	0.6
135.11711	0.5
137.66553	0.3
141.06993	0.4
145.10197	1.1
147.11623	1.8
159.11804	0.5
161.13275	0.8
163.11134	0.4
169.64957	0.4
171.11768	1.2
175.26312	0.3
192.22620	0.4
203.05247	0.4
207.13773	0.5
243.08385	2.8
247.13181	1.3
262.86374	0.3
281.17526	0.3
288.28900	0.3
303.15997	0.5
312.05765	0.3
333.20297	2.0
389.23306	0.4
439.19357	0.7
465.20969	9.6
466.21262	0.7
469.20013	0.4
528.98285	0.4
532.70581	0.3
551.28320	5.2
775.42279	100.0
776.42694	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	777.2228
Annotation	Patavine
Peak:m/z	Relative Intensity
55.01853	1.0
57.03434	9.8
59.04982	0.4
61.02920	2.9
67.05486	0.5
69.03426	28.6
71.01356	2.2
71.04947	0.5
73.02911	13.9
75.04440	0.4
79.05494	0.8
81.03405	2.6
81.07051	0.4
83.01321	1.2
83.04980	1.9
85.02404	0.7
85.02900	12.1
85.40326	0.4
87.04465	5.7
88.52435	0.3
89.03918	2.0
91.03970	0.6
91.05466	0.6
93.37364	0.4
95.04941	1.5
97.02885	32.4
98.23421	1.2
99.04425	2.2
103.03948	2.5
107.04939	1.0
109.02834	0.6
111.04433	2.1
113.02332	1.4
115.03918	16.0
117.03358	1.9
117.05482	1.5
123.04425	1.1
125.02335	0.6
127.03905	1.6
133.04951	6.6
135.04401	5.2
137.02357	0.5
137.05995	0.5
139.03896	3.5
143.03394	0.7
145.02872	2.5
145.04930	1.2
149.04466	1.8
151.03923	1.5
153.05475	1.0
157.04958	5.3
163.03891	18.4
165.05458	1.0
166.08627	0.6
169.05005	0.8
175.06102	1.7
181.04907	1.2
187.06093	0.6
192.97926	0.4
193.04944	0.8
205.06544	0.6
205.78064	0.3
206.07283	0.9
211.05981	6.0
219.07912	0.5
229.07066	7.3
231.45834	0.4
233.05893	1.0
234.06764	2.5
235.07404	0.7
246.06821	0.7
247.08020	5.3
248.08298	1.4
249.05388	0.4
249.09073	1.8
251.10938	0.3
261.05399	0.6
262.06158	2.2
263.07043	1.9
264.07880	0.8
265.09131	2.4
274.06311	0.5
275.06876	0.6
276.07730	0.7
277.08569	9.0
278.09283	1.0
279.10083	1.7
285.12363	0.4
290.05765	0.8
291.06567	2.3
292.07236	1.0
293.08170	0.3
294.08640	0.4
295.09613	0.4
304.07077	0.4
305.08032	8.9
306.08621	0.7
307.09576	2.6
309.11313	1.2
319.05948	2.8
320.06589	0.5
323.09183	1.6
325.11212	0.4
333.07529	11.6
334.07922	0.5
335.09134	3.1
337.10693	5.4
351.08527	6.5
363.08594	10.3
364.09265	0.5
381.09637	100.0
382.10052	4.8
513.13501	0.4
613.26178	1.3
777.39203	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05510	2.2
57.03428	2.0
57.92736	0.7
61.02925	5.4
67.05484	3.4
69.03431	3.0
69.07076	2.5
69.13290	5.1
73.02902	3.5
79.05482	2.3
81.03418	2.6
81.07047	3.8
83.08622	1.0
85.02892	5.2
87.04482	0.7
91.03945	2.6
91.05482	2.6
91.23840	0.7
93.07049	2.8
95.04999	1.6
95.08627	1.4
96.07681	0.6
97.02911	3.5
99.04493	1.0
101.02375	1.6
105.07053	2.5
107.04957	1.3
107.08601	1.7
111.08115	0.8
119.08573	1.9
123.08057	1.3
127.03890	1.7
131.08636	0.9
133.10193	1.1
135.11679	1.5
140.38293	0.7
141.89963	0.6
145.10146	1.2
149.02347	1.0
163.11218	1.4
185.04210	1.2
193.04959	1.5
212.21590	0.9
222.93816	0.6
243.08517	3.0
333.19989	1.1
467.18878	4.6
469.20395	4.7
532.58582	0.8
551.28278	3.8
553.42743	0.8
777.40173	100.0
778.41010	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	777.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05506	2.3
56.96564	1.1
57.03442	1.8
61.02918	4.2
63.95198	0.4
67.05496	4.1
69.03410	3.6
69.07063	2.2
69.15481	1.2
69.15894	1.7
71.01347	0.7
71.04992	1.0
73.02912	4.2
79.05484	3.8
81.03410	2.8
81.07053	4.3
83.04971	1.1
83.08625	0.9
85.02893	4.5
86.09718	1.1
87.04438	0.5
91.03975	3.3
91.05458	3.2
93.07035	3.8
95.04931	2.3
95.08585	2.2
97.02882	3.7
97.06508	1.1
98.97565	2.7
99.04433	0.7
101.02401	1.9
105.07033	2.1
107.08575	2.6
109.02853	1.0
109.06530	0.8
109.10146	0.9
111.08097	0.7
112.99104	0.6
115.04012	0.5
116.98633	1.4
117.07042	1.2
117.81438	0.4
119.08578	1.8
121.10149	1.9
123.08089	1.1
127.03922	1.5
128.98599	1.1
129.07053	0.6
131.00163	1.1
131.08580	1.2
133.10159	1.0
134.09105	0.5
135.08037	0.5
135.11707	1.2
140.26945	0.4
145.10123	2.6
147.08047	0.5
147.11662	1.0
149.01244	1.4
149.02374	1.6
149.09625	0.8
157.10091	0.7
158.99634	0.6
163.11186	1.6
170.99683	1.0
177.00800	0.6
184.07379	1.8
185.04285	0.7
189.00728	1.6
193.04955	0.7
199.02811	0.5
228.23135	0.7
237.02803	0.6
243.08264	3.2
250.47961	0.4
261.02963	0.9
279.03931	0.7
293.05515	1.1
311.06631	0.6
317.18192	0.6
321.04843	2.9
322.05304	0.8
323.05444	0.9
331.18829	0.6
333.20441	1.1
339.05826	0.6
439.19528	0.7
453.20987	1.3
455.11008	0.7
467.18793	7.8
469.20490	2.0
479.91254	0.5
551.28333	4.1
634.22052	0.6
679.33575	0.7
715.32446	0.8
759.40179	0.6
777.40161	100.0
778.40765	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	777.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05505	1.0
57.03424	1.9
61.02913	4.0
67.05504	3.4
69.03436	3.0
69.07053	1.1
70.04205	0.8
70.06602	1.4
73.02898	2.6
77.04058	0.6
79.05475	4.0
81.03417	5.5
81.07036	3.7
83.04961	1.3
83.08624	1.8
83.17933	0.8
85.02898	6.0
91.03944	2.1
91.05473	4.4
93.07043	2.8
95.04978	1.6
95.08619	2.1
97.02874	4.4
98.22725	2.2
99.04434	0.7
101.02383	1.3
103.72032	0.7
105.07036	2.4
107.04964	0.9
107.08601	1.4
109.06515	0.9
109.10133	1.3
117.07010	0.9
119.08598	1.2
121.10112	0.9
127.03909	1.1
131.08588	1.3
133.10146	2.9
147.11694	1.1
175.11186	1.3
184.07358	1.0
193.12312	2.4
211.13356	0.8
243.08420	2.7
251.12582	1.1
281.07251	0.7
285.16980	0.9
313.17719	1.1
331.18839	1.9
408.17746	0.8
447.58640	0.7
451.19540	0.9
461.16293	0.9
469.20419	9.1
531.26117	0.8
541.22803	0.9
549.26636	1.9
679.32642	1.4
754.02679	0.9
759.39172	8.8
777.40039	100.0
778.40326	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	777.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87506	0.6
55.05510	1.5
57.03432	3.6
61.02920	9.4
62.86170	0.8
67.05492	7.1
67.05775	0.7
69.03426	5.3
69.07073	2.2
71.01331	0.7
71.05005	1.3
73.02905	7.5
79.05488	5.4
81.03407	4.8
81.07049	6.8
83.01321	0.7
85.02896	8.0
85.61127	0.6
86.09705	2.1
91.03946	4.3
91.05495	3.0
93.07045	5.6
93.07558	0.8
95.04963	1.2
95.08615	5.9
97.02885	6.9
97.06503	0.9
99.04472	1.6
101.02380	1.9
105.07058	2.0
107.08604	2.8
109.02869	1.8
109.06503	0.7
109.10161	1.7
117.06978	0.7
119.08595	1.3
121.06482	0.7
121.10133	2.3
123.11774	0.6
125.00036	2.1
127.03942	2.5
131.08598	1.3
133.10156	0.8
135.11710	2.4
139.92296	0.6
145.10135	1.9
163.11214	1.9
184.07321	6.3
185.04204	0.8
217.98592	0.7
243.08510	2.5
251.02899	0.7
261.27097	0.6
273.93588	0.7
281.13577	7.6
335.25745	0.9
367.54636	0.7
377.70926	0.7
436.42535	0.7
499.21588	5.7
519.29309	8.8
777.43805	100.0
778.44019	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	778.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.0
68.63252	1.3
68.99781	5.1
69.00232	1.2
69.92944	1.9
69.93285	3.3
79.05486	1.8
88.57816	1.3
91.05483	3.5
93.03422	1.7
96.68961	1.3
98.11739	1.4
107.04954	4.6
109.05733	1.4
111.04451	4.5
119.04984	1.5
121.02841	16.0
121.06490	2.6
123.04403	7.0
124.05296	1.4
125.05944	2.1
133.21443	1.4
135.04413	5.6
137.02411	1.8
137.05989	9.6
139.03865	9.2
141.05472	1.6
147.04347	1.8
149.02315	16.2
150.03120	1.8
151.03893	14.4
151.04916	2.0
151.89737	1.3
153.05518	2.8
163.03947	7.3
165.05496	6.1
167.07031	2.2
169.04962	8.0
170.29297	1.4
177.01819	18.1
177.05421	3.2
178.02536	3.3
181.04921	8.6
187.03914	2.0
189.05428	1.6
189.09097	2.0
191.04953	3.9
193.04970	4.6
195.02910	4.6
204.57422	1.4
205.06529	3.0
207.10190	1.6
209.04425	13.5
211.05922	1.5
219.04388	5.1
221.05994	6.5
227.07141	2.3
233.06009	3.8
235.07504	2.0
236.04799	2.3
237.05415	2.3
247.03931	5.9
249.05435	8.8
250.06143	2.1
251.07169	3.0
253.08563	1.6
255.06599	2.2
261.05423	3.8
263.07111	4.5
264.04318	2.0
266.05762	1.6
267.06519	2.1
268.08908	1.5
269.08063	1.8
273.07718	2.5
275.03354	9.3
277.04916	11.0
278.05600	2.4
279.06448	2.3
281.08087	4.7
283.06061	5.4
289.04953	5.1
291.06497	3.1
292.03827	2.8
293.04443	1.5
294.05276	6.7
295.05984	4.7
297.08923	3.1
297.18430	1.8
303.02826	10.4
305.04413	2.1
307.06042	1.8
309.07462	15.5
314.09317	2.4
315.19452	3.4
321.07599	1.7
323.05795	4.8
324.07895	2.9
325.08463	4.9
330.08801	1.8
335.05444	18.8
337.06915	12.0
342.08929	2.8
344.06665	2.1
352.07123	6.9
353.07831	6.3
354.08575	1.8
355.09128	2.3
357.11295	2.2
359.09161	2.1
367.09619	4.8
368.06735	3.8
369.07394	2.3
370.08267	7.1
373.10706	6.6
375.08633	2.9
380.06982	4.6
381.07300	2.4
383.09335	7.5
385.10745	11.5
395.09143	9.2
396.05856	2.0
398.07758	10.3
399.08432	3.1
401.10034	8.2
411.08740	8.0
413.10156	39.9
414.10605	2.4
415.11551	5.5
429.09650	8.0
431.11090	1.7
433.09143	2.1
439.08139	5.8
441.09714	4.2
447.10541	5.2
457.09293	7.5
459.10513	7.5
461.12015	1.8
471.10715	2.7
475.10226	26.9
476.10287	1.9
489.11804	5.2
503.09741	22.0
507.12979	2.7
521.10553	4.0
535.12280	100.0
536.12665	6.8
563.12634	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5368
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05029	0.4
58.06625	0.4
60.08152	2.8
67.06557	0.1
70.82575	0.2
71.07369	2.1
75.26806	0.1
86.09694	15.7
98.98434	1.8
104.10734	1.2
124.99991	10.5
143.01030	0.2
169.29071	0.1
181.27513	0.1
184.07317	100.0
185.07690	0.9
185.22116	0.2
217.02188	0.2
225.49448	0.1
271.38519	0.2
293.07825	0.1
500.31055	0.2
518.32477	0.4
620.68927	0.1
659.51666	0.1
778.53851	2.4
779.53699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	1.1
64.97169	0.6
67.05508	0.9
70.06590	19.5
70.14179	1.9
71.06921	1.5
79.05496	0.9
79.50920	0.7
79.70557	0.6
85.02901	1.3
86.09705	3.6
88.30235	0.7
93.07078	0.7
95.08617	0.6
97.02923	0.7
98.22816	0.8
103.64343	0.6
105.07012	0.7
107.08657	0.6
125.00036	1.9
184.07312	10.9
185.07748	0.9
205.04909	0.7
243.08443	0.6
269.10818	0.7
281.05310	0.6
388.90671	0.8
434.95139	0.7
453.20959	1.4
487.18347	0.7
555.46375	0.7
567.25500	0.9
679.24927	0.7
693.34735	1.7
733.39972	0.8
762.05096	0.8
779.39758	100.0
780.40106	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	779.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03439	1.5
61.02916	4.6
67.05508	3.4
69.03423	3.7
69.07087	1.1
71.01352	1.1
71.41918	1.3
73.02926	3.0
79.05495	4.4
81.03429	3.6
81.07059	3.9
83.08629	1.1
85.02883	6.6
85.22373	0.9
86.71471	1.2
91.03966	1.8
91.05494	4.3
93.07049	2.1
95.04969	1.7
95.08635	0.9
97.02908	4.1
97.37122	0.8
99.04433	1.0
101.02394	1.9
105.07106	1.8
107.08579	2.1
111.08105	1.2
111.75680	0.9
118.13651	1.0
119.08609	1.5
121.10159	1.2
129.07051	1.2
131.08595	1.4
157.10193	1.3
162.92343	1.1
170.97745	1.0
184.07462	1.9
211.13501	0.9
243.08525	3.0
329.61731	0.9
332.48575	1.1
333.20663	1.6
451.11053	1.0
469.20230	7.2
488.27988	1.2
551.28394	5.9
779.41760	100.0
780.41931	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	779.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.9
55.05485	2.3
57.03424	4.1
58.80396	2.2
59.72747	2.2
60.08162	2.4
61.02914	7.8
64.46589	3.2
66.67613	2.1
67.05495	7.9
69.03425	5.4
70.06584	15.0
73.02899	7.3
79.05468	5.7
81.03419	5.9
81.07027	7.2
83.04957	2.4
83.08612	2.1
85.02914	13.1
86.09701	19.2
89.74876	2.3
91.03932	7.0
91.05458	5.5
93.07025	6.0
95.04960	2.5
95.08641	2.2
97.02885	8.6
99.04462	3.1
101.02395	3.3
104.10751	3.6
107.08560	2.8
107.69216	2.0
109.02904	3.0
121.10114	3.5
125.00004	8.3
127.03938	3.3
129.05447	2.6
133.10155	4.6
135.11658	3.6
161.39185	2.4
161.55251	2.5
167.78841	2.5
184.07327	47.4
185.04228	6.9
197.04678	2.3
201.03555	2.1
203.05281	3.9
221.11609	2.8
239.09496	2.1
243.08382	7.4
268.91141	2.4
287.27679	2.3
301.08884	11.8
315.10272	4.4
324.02130	2.3
369.15189	3.6
371.16650	8.2
373.10898	6.4
385.18185	4.3
387.12598	3.2
413.17810	2.6
425.21381	3.6
439.19281	9.4
453.21011	12.1
469.20297	6.0
481.20294	3.4
483.22314	3.0
497.23801	4.5
511.21741	4.9
535.28851	2.8
553.22351	4.0
567.31427	100.0
568.31537	6.5
609.28772	3.6
621.32001	2.7
622.33215	5.7
625.31433	3.2
635.33997	3.2
636.34491	2.6
651.33478	20.9
652.34515	2.7
693.34613	13.3
733.41199	26.8
734.41052	2.9
761.39893	3.6
777.39648	10.3
779.41626	94.5
780.41534	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	779.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	4.1
64.75175	0.8
69.18276	2.1
69.18700	2.8
71.07369	2.9
73.19919	0.9
86.09698	16.8
87.10065	1.8
97.18648	0.9
98.98479	2.2
124.99995	12.4
125.00820	1.0
184.07323	79.5
185.07611	4.9
236.39674	0.9
415.52979	0.9
501.21014	1.4
779.43262	100.0
780.43555	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	779.454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
57.03429	2.3
59.05000	0.8
61.02624	0.7
61.02922	7.0
61.44577	0.3
62.44756	0.3
67.05495	5.3
69.03415	3.7
69.07069	1.2
69.78647	0.8
69.79009	0.9
71.01374	0.5
71.04985	1.0
73.02902	4.0
79.05485	3.7
81.03413	3.4
81.07053	5.0
83.04976	0.4
83.08607	1.0
85.02888	5.0
86.09689	0.5
87.04465	0.6
90.73642	0.4
91.03940	3.5
91.05464	3.4
93.07035	3.6
95.04977	1.3
95.08585	2.7
97.02881	5.7
99.04451	1.0
101.02380	1.7
105.07001	2.0
107.08590	1.6
109.02872	0.6
109.06519	0.7
109.10143	0.9
117.07011	0.6
119.08581	1.2
121.10128	2.4
123.11700	0.6
124.99987	0.6
127.03920	1.5
131.08583	1.1
133.10124	1.3
135.11684	0.7
145.10172	0.6
147.11699	1.6
149.09651	0.9
157.10208	0.5
175.11156	0.4
184.07309	2.6
185.04323	0.3
193.12221	0.6
225.14839	0.4
243.08479	1.4
283.15121	4.9
300.50653	0.4
335.25778	0.7
339.17712	0.6
501.22949	6.3
519.29199	8.4
520.29816	0.7
680.27539	0.4
779.45367	100.0
780.45752	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	779.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05508	1.4
57.03436	1.9
61.02922	6.2
65.03963	0.6
67.05495	5.4
69.03429	2.4
69.07078	1.5
69.17396	1.6
69.17804	1.8
71.04991	4.1
71.07378	0.7
73.02911	3.9
79.05487	4.3
81.03428	1.8
81.07050	5.9
83.08631	0.6
85.02903	5.0
85.06537	0.7
86.09710	3.2
87.10066	0.6
90.54804	0.5
91.03938	3.2
91.05468	5.8
93.07043	5.2
95.04947	1.1
95.08624	2.0
97.02883	5.1
97.06517	0.7
98.97816	0.5
98.98450	0.6
101.02367	2.9
105.07034	2.2
107.08586	3.1
109.02909	1.1
109.10180	0.7
112.01144	0.5
117.07044	1.1
119.08564	2.4
121.10177	1.9
123.11714	1.1
124.99978	2.7
127.03922	1.6
131.08594	1.4
133.10141	2.8
135.11711	1.3
145.10135	0.7
147.11732	1.2
149.13268	0.6
151.11246	0.8
159.11755	1.1
184.07317	11.2
184.08836	0.7
185.04285	0.8
185.07733	0.7
199.30797	0.6
201.03734	1.0
243.08385	4.0
259.29169	0.5
267.15741	1.4
268.67273	0.5
269.17444	0.5
295.18423	0.5
301.08917	1.1
314.52676	0.6
315.10645	0.8
372.82602	0.5
373.11246	0.8
453.20642	0.6
465.21600	0.9
485.23563	10.5
535.28949	5.4
536.29425	0.7
557.26062	1.6
641.35016	1.0
779.45447	100.0
780.45917	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	780.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	2.2
67.81812	0.9
74.33617	1.0
79.05482	1.2
80.89892	0.9
91.05482	9.3
95.04962	3.4
98.23532	2.0
105.03387	0.9
107.04965	2.4
109.06540	1.3
111.04449	5.6
119.04952	4.4
121.06485	6.8
121.98838	1.0
123.04425	17.2
126.03141	4.7
133.02850	2.4
135.04401	6.1
137.05962	5.9
139.03886	21.3
141.05440	4.1
147.04396	2.3
149.05945	3.3
150.03110	9.5
151.03903	15.9
152.04706	10.3
153.05435	1.6
154.02660	1.7
163.03964	2.2
165.05472	21.0
165.06985	5.0
167.07013	23.6
167.08324	1.7
169.04945	61.7
175.03949	2.1
177.05444	3.1
178.02599	15.0
181.04929	9.2
182.15385	1.6
183.06500	15.8
184.07158	1.1
187.03918	2.9
193.04948	33.2
193.06445	3.4
203.03455	1.3
205.04836	1.7
205.06529	1.4
210.06735	3.3
211.05992	100.0
212.06348	2.2
213.01833	4.0
220.05179	1.3
221.05934	12.9
229.07114	3.8
231.02855	4.2
237.05421	2.1
238.06262	4.1
239.06883	1.3
240.29527	1.0
248.04710	1.9
249.05469	21.4
250.06117	2.8
253.08682	1.6
259.03973	2.9
263.07065	4.8
265.05045	1.2
265.08566	1.5
266.05759	7.5
267.06372	3.5
269.08109	4.8
271.71033	1.1
276.04102	1.1
276.58328	1.1
277.04929	44.1
277.07877	2.2
278.05521	5.7
279.06305	1.5
281.07974	8.0
283.09714	0.9
291.06509	2.4
292.07248	1.3
293.08203	1.5
294.05286	10.4
295.06046	3.2
299.09055	1.4
305.04507	1.9
309.07538	38.6
310.07999	2.0
311.09024	5.0
313.10583	1.1
319.06061	1.9
327.08560	3.7
337.07025	98.9
338.07486	3.3
338.58685	1.0
339.08481	4.1
351.08688	1.1
353.10172	1.5
355.08069	3.3
366.11115	1.1
379.08121	2.4
395.07648	1.5
425.08609	8.2
565.13245	6.9
780.58472	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
65.03938	2.5
66.04752	1.2
69.20162	6.3
69.83816	1.1
75.04491	1.1
77.93060	0.9
79.05498	0.9
91.05465	10.3
95.04960	4.4
98.22708	2.2
105.03377	1.3
107.04952	3.0
111.04467	5.7
119.04944	4.4
120.07026	1.0
121.06505	6.9
123.04424	19.8
126.03107	5.3
133.02853	3.9
135.04399	4.1
137.05927	5.9
139.03888	24.8
140.04128	1.0
141.05458	3.5
147.04372	2.7
149.05965	2.8
150.03123	8.9
151.03911	14.5
152.04678	10.7
153.05446	2.4
154.02545	1.6
163.03914	2.3
165.04097	1.3
165.05499	21.4
165.06961	3.6
167.07043	21.1
169.04959	57.8
170.05228	1.5
177.05499	3.6
178.02614	16.3
181.04941	8.2
183.06509	18.0
184.07262	1.3
187.04018	1.9
193.04962	29.1
193.06522	4.4
194.05284	1.6
200.84361	1.0
210.06773	2.7
211.06000	100.0
212.06340	2.3
213.01820	5.1
220.05225	1.5
221.06003	14.5
229.07108	4.5
231.02827	5.3
233.05806	1.4
236.32855	1.1
237.05434	2.0
238.06107	6.3
248.04732	2.7
249.05449	26.4
250.06177	4.2
251.07011	1.2
253.08556	1.3
259.03946	2.9
263.06967	5.9
265.08414	1.3
266.05737	8.9
267.06555	2.5
269.08109	4.8
276.04147	1.3
277.04953	44.1
278.05511	4.9
279.06494	2.1
281.08115	9.2
291.06534	2.9
291.15112	1.1
293.08194	1.5
294.05219	13.3
295.06042	2.5
305.04288	1.9
309.07565	39.1
310.07718	2.4
311.09018	4.9
313.10629	1.3
322.04727	1.9
327.08633	4.3
337.07037	98.9
338.07327	6.2
339.08621	4.6
353.10489	1.0
355.08252	5.4
379.07996	2.6
395.07617	2.9
425.08563	7.5
473.12479	1.2
491.13055	1.0
499.23254	1.2
537.13684	1.4
565.13440	6.2
566.60559	1.1
779.57715	1.4
780.58417	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.5
55.86547	0.7
58.07385	0.6
61.88356	0.8
65.03938	4.2
67.05498	1.3
69.03437	4.0
69.37260	3.6
69.37631	1.3
77.03947	1.5
78.04707	1.1
79.05486	2.9
81.03409	2.7
83.04952	0.8
85.02902	2.9
90.22678	0.8
91.05478	8.1
93.03404	2.5
93.07040	0.8
95.04970	10.1
97.02897	4.8
99.04411	1.0
103.05466	41.1
105.04512	2.1
105.07037	6.7
106.04157	1.4
107.04955	11.3
110.03654	3.1
111.04450	5.6
115.05447	5.8
117.07008	2.0
117.29373	0.7
118.04269	0.7
119.04939	8.9
119.08566	3.1
121.02876	2.3
121.06526	1.2
122.03643	2.0
123.04417	10.4
124.05207	2.3
125.05984	4.7
128.06221	1.6
129.07002	2.1
131.04924	100.0
132.05263	1.5
133.02846	3.4
133.06520	8.1
134.03719	0.7
135.04401	4.2
135.08017	1.6
137.05980	15.0
139.03967	1.4
139.07503	0.7
140.04652	1.2
143.04913	3.2
145.06477	3.4
147.04381	9.8
147.08009	5.0
149.05951	2.4
151.03908	30.2
151.04964	1.4
151.07497	1.6
152.04686	1.4
153.05453	8.0
155.05960	1.0
155.07066	1.8
157.06529	2.7
157.15573	0.9
159.04405	8.8
160.05194	3.4
161.05998	11.2
162.76067	0.9
163.03911	2.0
163.07538	33.0
164.04655	0.9
165.05505	1.6
167.07031	90.6
168.07397	1.2
173.05952	2.0
174.06728	1.0
175.07591	5.3
177.05434	2.6
179.07028	15.6
181.04935	6.0
183.06523	2.3
184.53094	0.8
187.02513	0.8
187.03879	4.1
189.05446	3.9
191.07025	2.8
193.06561	0.9
193.08626	0.8
195.06607	1.3
197.07939	0.8
202.06168	0.9
203.07039	13.5
205.08664	1.9
207.06517	61.0
208.06918	1.8
217.08498	0.9
219.04819	0.5
219.06511	29.9
220.07169	2.2
221.08070	47.7
224.04607	0.9
225.07564	1.6
227.06978	1.0
229.08559	1.1
233.08183	2.1
235.09648	2.6
237.07555	8.6
242.05623	1.0
249.07521	1.2
251.09218	2.1
257.08081	2.4
275.09244	1.1
279.08609	12.1
283.09665	1.2
285.07562	2.7
289.10669	7.0
295.09818	1.1
299.08914	1.3
307.09595	1.5
311.12601	1.4
317.10159	5.8
321.07428	1.0
323.09296	3.8
325.10706	1.5
340.09128	1.0
343.11722	1.9
353.10196	2.5
354.10776	2.0
355.11700	9.3
357.13232	1.3
367.11945	1.5
371.11212	3.4
381.13568	0.9
385.12744	5.2
397.58844	0.8
403.13849	29.6
404.14233	1.8
491.15152	0.8
533.17780	3.0
565.20850	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.6
56.49593	0.5
65.03636	0.6
65.03925	3.7
67.05484	0.8
69.03421	3.3
69.27058	2.6
69.30441	0.5
70.47952	0.9
73.04296	0.6
77.03908	1.5
78.04694	1.8
79.05487	2.5
80.56852	0.6
81.03409	2.0
82.04186	0.7
85.02885	1.7
87.32124	0.6
89.03871	0.7
91.05477	7.6
93.03403	3.8
93.07047	1.0
95.01265	0.7
95.04960	11.7
97.02873	3.5
98.05753	0.7
99.04414	0.8
100.72409	0.7
102.04642	0.6
103.05458	39.6
105.03390	0.8
105.04494	1.9
105.07018	6.5
106.04163	1.2
107.04946	11.0
109.06491	1.1
110.03656	2.0
111.04448	4.6
115.05442	5.5
117.07021	1.8
119.04932	8.2
119.08585	1.8
121.02818	2.2
121.06506	1.3
121.93204	0.6
123.04424	8.9
124.05190	2.8
125.05987	6.4
128.06207	2.4
129.06989	1.6
131.04915	100.0
132.05692	1.2
133.02835	2.6
133.06467	8.3
135.04434	2.7
135.08046	2.1
137.05971	15.1
139.03908	1.0
139.07573	1.0
140.04652	1.0
143.04907	2.6
144.05650	0.8
145.06470	4.3
147.04399	12.7
147.08020	5.1
148.04938	0.6
149.05969	2.3
151.03899	31.3
151.04965	2.0
151.07529	2.8
152.04660	1.6
153.05458	8.1
155.05972	1.0
155.07040	1.5
157.06496	1.7
159.04417	6.9
160.05153	1.8
161.05974	10.9
162.06598	0.8
163.03838	1.9
163.07530	34.6
164.04640	0.9
165.05479	2.2
167.07022	91.3
168.07338	1.9
171.04332	0.9
173.05969	2.9
175.07559	5.2
176.04596	0.9
177.05447	1.7
179.07010	14.6
181.04919	5.2
183.06512	1.4
187.03903	4.7
189.05496	3.5
190.06136	0.7
191.07050	3.0
192.04173	1.3
193.06604	0.8
193.08511	1.1
195.06573	1.0
197.05992	1.5
197.08084	1.7
203.07028	11.8
205.08659	1.3
207.06503	59.2
208.06841	1.8
209.06099	0.7
211.07637	0.8
219.06509	30.5
220.07146	2.4
221.08063	44.8
222.08446	0.8
225.07558	1.2
231.06410	0.7
233.08118	2.0
235.09586	1.7
237.07515	7.3
239.06905	1.4
242.05667	1.2
249.07591	1.7
251.09102	2.3
253.08481	1.1
257.08038	2.4
271.09641	0.8
279.08597	11.1
285.07550	2.6
289.10611	7.2
299.09030	1.4
311.12741	0.8
317.10144	6.7
323.09067	3.7
325.10626	1.3
335.09155	0.7
339.12302	1.2
341.09848	0.9
343.11536	2.1
353.10068	3.0
354.10745	1.5
355.11725	9.0
367.11780	1.5
371.11230	3.7
373.12439	1.2
385.12741	6.8
403.13824	29.4
403.19162	1.4
404.13840	1.3
423.59894	0.7
429.15128	1.0
533.17767	1.7
565.20569	1.3
626.65527	0.8
689.88715	0.8
717.45068	0.9
719.45050	0.8
780.44745	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.4
57.67242	0.3
58.06591	0.3
59.99602	0.2
60.08162	4.2
70.00215	0.2
70.60607	0.4
71.07374	2.6
79.03884	0.2
79.05433	0.3
86.09699	19.9
87.10055	0.3
95.08599	0.2
98.98465	2.8
104.10719	1.5
114.60513	0.2
122.62145	0.2
124.99997	13.8
161.04697	0.2
179.43057	0.2
184.07330	100.0
185.07649	0.9
367.82404	0.2
780.55304	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	780.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.4
57.60366	0.1
58.06626	0.4
59.07388	0.1
60.08156	3.1
64.28105	0.1
67.05499	0.1
70.86952	0.1
70.99757	0.1
71.07362	1.2
77.17039	0.1
79.05486	0.1
81.07053	0.1
86.09694	13.2
87.10023	0.2
95.08636	0.1
98.98449	1.2
102.59499	0.1
104.10728	1.0
105.81403	0.1
107.68146	0.1
124.99987	7.9
143.01024	0.1
146.98198	0.2
166.02718	0.1
184.07317	100.0
185.07675	1.1
186.07854	0.1
259.91461	0.1
500.30994	0.1
518.32623	0.1
520.34271	0.2
597.48535	0.2
645.54413	0.1
780.55231	2.7
781.55530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
57.03428	4.9
61.02921	3.3
62.06073	0.7
67.05484	0.9
68.99793	2.9
69.03425	26.4
71.01341	1.6
71.04997	3.8
71.05330	0.8
71.27348	0.6
73.02918	3.7
74.39185	0.5
79.05479	1.0
81.03411	25.5
83.01315	1.3
83.04959	2.1
85.02898	42.1
87.00285	0.9
87.00823	16.6
87.04468	0.8
90.07177	0.5
91.03983	0.8
95.04947	1.8
97.02886	17.5
99.04444	7.9
103.03922	2.1
105.01856	13.9
109.02872	28.5
110.03214	0.7
111.04438	4.0
111.49884	0.7
113.02368	0.7
113.51571	0.5
115.03905	1.3
117.01827	2.0
123.04412	1.8
125.02315	1.5
127.03906	43.0
128.04262	1.0
129.01822	2.5
129.05460	2.0
135.04338	0.8
139.03871	1.5
145.04938	11.5
147.02892	1.9
147.06534	0.6
151.03882	2.5
151.05418	0.5
159.02867	8.6
163.03906	0.6
165.05608	1.0
165.06995	2.2
167.08510	0.6
169.04936	4.0
169.06203	0.5
169.10130	0.6
171.02879	1.1
177.03922	1.0
178.07785	1.8
179.08536	2.4
181.04887	0.7
181.10114	1.8
187.06000	1.7
189.03928	5.3
190.07834	0.8
191.08591	2.5
192.09323	1.9
193.04959	2.3
193.10046	3.1
195.08017	0.9
195.11598	0.6
202.07880	0.7
203.08620	0.5
204.09256	0.6
205.10049	1.0
206.10851	4.6
207.08061	1.4
207.11621	0.8
208.08871	5.3
209.09590	2.9
209.13129	0.7
210.10329	0.9
211.05902	0.9
211.07642	1.2
211.14772	0.9
213.03889	5.0
215.05394	0.8
215.08597	0.7
216.09309	3.5
217.04865	0.8
219.08069	4.4
219.11632	1.8
220.08862	2.8
221.07622	0.6
221.09688	3.7
221.13232	9.9
222.13585	0.6
223.11214	0.6
224.08429	0.8
225.09064	1.7
225.12665	0.6
226.09862	4.1
231.04976	14.1
231.11681	2.0
233.09831	0.9
234.10352	6.4
235.05983	1.7
237.09142	0.7
237.12637	1.7
238.09859	5.5
239.10643	5.2
239.14319	2.5
247.11179	3.4
249.05994	2.5
249.12729	24.3
249.46753	0.6
250.13118	1.6
252.11325	4.4
255.04951	1.2
265.12216	6.4
266.12982	1.0
267.13763	43.5
268.14194	2.1
273.06030	13.7
279.13834	1.0
283.13251	1.9
284.14047	2.9
285.14816	100.0
286.15204	4.1
291.13794	1.0
309.14847	2.1
315.07077	1.0
323.13159	0.6
327.15921	1.2
330.73862	0.5
339.07184	1.9
432.44501	0.6
533.20026	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.4
55.05484	1.0
55.19239	0.7
57.03432	4.0
61.02909	2.1
62.79601	0.7
64.21574	0.7
67.05470	0.9
68.99780	2.4
69.03426	25.0
71.01356	1.9
71.04988	1.4
73.02908	2.3
81.03413	25.6
83.01330	1.2
83.04983	2.0
83.24431	0.6
85.02900	44.0
87.00826	14.9
91.03967	0.9
95.04956	1.5
97.02256	0.9
97.02888	15.6
99.04448	8.0
103.03934	2.2
105.01860	13.9
109.02873	29.5
111.04424	3.3
113.02393	0.9
115.03942	1.2
117.01849	2.1
121.02917	0.7
123.04434	1.5
125.02359	1.2
127.03904	40.6
129.01855	3.0
129.05469	0.9
139.03857	1.3
145.04942	10.9
147.02869	2.5
151.03944	1.4
153.05414	0.6
159.02899	9.5
162.80240	0.7
165.06932	1.3
169.05028	3.9
169.10110	0.9
171.02898	1.2
173.84369	0.6
175.03796	0.9
178.07755	1.2
179.08548	3.4
181.04945	0.8
181.10168	1.9
187.06009	2.2
189.03941	4.4
189.05367	1.0
191.08501	3.1
192.09319	2.3
193.04916	1.8
193.10226	3.6
195.07990	1.0
197.09552	0.9
203.08394	0.7
205.10143	1.2
206.10887	5.3
206.41141	0.6
207.06320	0.7
207.08040	1.9
207.11563	1.1
208.08841	3.9
209.09621	2.2
210.10379	0.8
211.05875	1.0
211.07568	2.1
213.03900	5.0
215.08554	0.8
216.09302	3.8
217.09943	0.7
219.08008	3.9
219.11656	1.4
220.08781	2.7
221.09660	4.4
221.13223	10.2
223.07617	1.0
225.09007	0.9
226.09865	3.7
231.04951	11.9
231.11635	1.7
231.18475	0.8
233.06461	1.4
233.09688	1.0
234.10373	7.6
235.06004	0.9
237.09146	1.2
237.12721	1.4
238.09822	5.2
239.10651	6.2
239.14258	1.4
247.11211	1.9
249.05965	1.6
249.12715	23.4
250.13138	1.3
251.10474	0.7
252.11351	4.1
253.11940	0.9
255.04933	0.9
265.12195	6.1
266.13040	1.5
267.13776	43.2
268.14130	1.5
273.06033	12.9
279.13660	1.1
283.13223	1.5
284.14154	3.8
285.14822	100.0
286.15195	3.7
291.13690	1.1
309.14767	1.9
315.06961	1.3
327.15912	1.7
339.07089	2.2
357.08163	1.0
479.16699	1.0
515.18896	0.9
527.61279	0.7
533.19452	1.4
700.44952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23879	1.8
64.67178	1.9
69.07508	2.2
69.85639	1.8
71.32681	2.3
83.92521	2.5
86.09696	4.7
100.73230	1.9
103.78613	2.1
124.73163	2.1
124.99972	4.1
136.65001	2.2
145.02844	2.1
156.90103	2.3
163.03845	2.2
177.05423	3.2
184.07297	14.8
208.86972	1.9
229.07100	2.3
265.09589	2.6
285.21323	2.3
330.09677	3.1
347.09958	4.5
349.11649	2.2
361.11682	4.7
362.12347	10.8
363.13220	4.6
379.12494	5.0
390.11685	3.6
421.13931	11.4
422.14410	12.1
434.10666	7.7
465.12708	36.2
466.13434	100.0
467.13623	5.2
713.54956	2.7
781.25549	4.7
781.38513	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	781.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.05496	1.4
57.02037	0.6
57.03440	2.8
60.08158	1.2
61.02923	7.8
67.05495	7.2
69.03429	3.7
69.07050	1.7
70.06567	0.5
71.05000	0.7
71.07364	0.7
73.02915	5.0
79.05480	4.7
81.03415	2.2
81.07042	4.9
83.08588	0.6
85.02897	6.3
86.09698	6.3
87.04436	0.8
91.03944	3.4
91.05495	2.2
93.07050	5.2
95.04953	1.1
95.08597	3.7
97.02893	6.0
97.06538	0.8
98.98425	0.9
99.04449	0.8
101.02365	2.1
105.07051	1.9
107.08562	2.7
109.04205	0.6
109.10136	1.6
119.08588	1.6
121.10154	1.9
125.00002	5.2
127.03911	1.6
131.08569	0.8
133.10130	0.9
135.11734	1.6
145.04958	0.6
145.10211	0.7
147.11771	0.8
149.13377	0.6
162.41570	0.6
173.13397	0.6
184.07329	20.0
185.04153	1.0
185.07698	1.3
199.13048	0.7
203.05293	0.9
219.68596	0.6
225.64398	0.7
243.06331	0.6
243.08345	3.0
267.12106	1.9
273.23602	0.5
285.13174	2.1
331.13306	0.6
335.25671	0.9
360.75726	0.6
439.19745	0.8
485.19968	1.8
503.21140	1.3
519.29279	8.2
521.79602	0.7
591.31256	0.7
721.41534	1.3
735.43457	1.2
763.42358	7.2
781.43347	100.0
782.43622	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	781.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.6
55.05474	0.9
57.03435	2.2
60.08123	1.0
61.02917	7.1
67.05499	8.1
69.03420	3.7
69.07034	0.8
69.70826	0.8
71.01331	0.6
71.04948	0.6
71.07327	0.5
73.02550	0.4
73.02907	4.8
75.56190	0.3
77.71244	0.3
79.05484	2.7
81.03398	2.2
81.07051	5.3
81.20464	0.4
83.04913	0.4
83.08586	0.9
85.02890	5.2
86.09698	3.9
87.04419	0.4
91.03938	3.4
91.05466	2.1
93.07037	3.3
95.04953	0.4
95.08590	3.1
97.02340	0.5
97.02878	5.2
98.98423	0.4
99.04409	0.7
99.08037	0.4
101.02371	2.3
103.03908	0.4
103.79321	0.3
105.06991	1.4
107.08598	1.6
109.02812	0.5
109.10150	5.4
111.08046	0.5
115.03857	0.4
117.06948	0.6
119.08607	1.6
121.10126	1.5
121.25034	0.4
124.99982	2.4
127.03908	1.6
131.08553	0.7
133.10075	0.6
135.11650	1.0
137.09662	0.4
145.10057	0.4
147.11760	0.4
149.13261	0.4
155.10648	0.5
161.13182	0.4
173.11705	1.2
184.07324	11.8
185.04257	0.8
185.07648	1.4
195.09801	0.4
203.05327	0.4
229.14293	0.6
233.50105	0.3
243.08340	2.4
335.25735	0.9
392.17599	0.4
413.17770	7.2
485.19922	0.5
519.29230	8.1
520.30060	0.5
691.40155	100.0
692.40479	8.5
762.77783	0.4
763.41681	1.3
781.42023	26.3
782.42456	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	781.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
56.72260	0.8
57.03404	2.1
60.08151	3.3
61.02924	8.0
67.05496	8.6
69.03413	3.6
69.24310	5.4
71.07370	1.2
73.02911	5.1
79.05475	2.7
81.03408	2.6
81.07058	5.2
82.69033	0.9
83.08614	1.0
85.02889	7.0
86.09693	9.6
91.03954	4.5
91.05461	2.6
93.07007	3.8
94.08089	1.0
95.08574	3.5
97.02879	5.2
98.98432	2.0
101.02346	2.1
105.07017	1.3
109.10142	4.8
119.08591	1.3
121.10143	1.6
124.99979	9.9
127.03871	2.2
133.10194	1.1
135.11615	1.1
149.13232	1.2
155.44897	0.9
173.11765	1.8
184.05658	2.0
184.07312	35.5
185.04239	1.1
185.07620	2.8
229.14281	1.1
243.08403	2.7
277.31958	1.0
335.25787	1.2
336.25964	0.9
413.17819	5.2
519.29236	11.9
660.62653	1.1
691.40155	100.0
692.40277	8.0
763.42310	1.6
771.77417	1.5
773.37164	1.0
781.42584	17.8
782.42682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
56.72260	0.8
57.03404	2.1
60.08151	3.3
61.02924	8.0
67.05496	8.6
69.03413	3.6
69.24310	5.4
71.07370	1.2
73.02911	5.1
79.05475	2.7
81.03408	2.6
81.07058	5.2
82.69033	0.9
83.08614	1.0
85.02889	7.0
86.09693	9.6
91.03954	4.5
91.05461	2.6
93.07007	3.8
94.08089	1.0
95.08574	3.5
97.02879	5.2
98.98432	2.0
101.02346	2.1
105.07017	1.3
109.10142	4.8
119.08591	1.3
121.10143	1.6
124.99979	9.9
127.03871	2.2
133.10194	1.1
135.11615	1.1
149.13232	1.2
155.44897	0.9
173.11765	1.8
184.05658	2.0
184.07312	35.5
185.04239	1.1
185.07620	2.8
229.14281	1.1
243.08403	2.7
277.31958	1.0
335.25787	1.2
336.25964	0.9
413.17819	5.2
519.29236	11.9
660.62653	1.1
691.40155	100.0
692.40277	8.0
763.42310	1.6
771.77417	1.5
773.37164	1.0
781.42584	17.8
782.42682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05512	0.9
56.56503	0.5
57.03428	1.5
60.08174	1.4
61.02922	6.8
67.05499	5.2
67.52974	0.6
69.03414	3.0
69.07050	1.1
71.04992	0.8
73.02922	4.3
75.74788	0.5
79.05490	4.7
79.24044	0.6
81.03413	1.5
81.07037	5.0
83.04996	0.6
83.37620	0.5
85.02901	5.1
86.09689	5.2
87.10052	0.6
91.03944	2.5
91.05476	2.0
93.07024	4.5
95.04990	0.8
95.08637	2.9
96.01279	0.5
97.02895	4.6
97.10166	0.6
98.98464	0.8
99.04438	0.8
101.02396	1.7
105.07027	1.2
107.04937	0.6
107.08574	2.9
109.02885	1.0
109.10168	1.0
119.08571	1.4
121.10124	3.3
124.99981	3.8
127.03941	1.7
135.11694	1.3
145.10117	0.6
163.11151	0.6
184.07318	16.8
185.04224	1.0
185.07751	1.5
243.08426	1.7
253.82817	0.6
267.12033	0.7
285.13254	1.4
485.19733	3.8
503.20914	2.8
519.29321	4.5
567.31122	1.2
735.43207	0.9
763.42151	6.8
781.42957	100.0
782.43286	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	782.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.05510	6.1
56.04087	0.3
57.03417	2.0
61.02911	0.6
65.03921	0.8
67.05504	2.5
69.03419	0.4
70.32375	0.8
71.01356	0.4
73.47406	0.3
79.05500	0.4
81.03410	0.8
81.07082	0.3
83.04975	47.4
84.05344	0.6
85.02898	100.0
86.03232	0.6
86.09717	0.3
87.04454	0.9
89.03912	1.0
99.04467	0.7
101.06009	0.5
109.02872	2.3
111.04433	25.7
117.03368	1.0
127.03895	6.0
129.05467	14.4
135.04414	2.1
145.02815	1.6
147.04488	0.3
151.07495	0.4
153.05464	0.4
163.03891	21.9
164.04366	0.4
169.04893	0.4
171.06509	90.6
172.06815	2.0
184.07356	0.7
214.30269	0.3
231.08601	4.7
259.09659	0.7
277.10712	0.6
367.10150	5.5
393.11581	0.4
515.59637	0.5
517.16931	0.4
537.15021	0.3
597.17719	1.1
769.68787	0.4
782.40680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05507	5.5
57.03431	2.1
60.66167	0.3
61.02917	1.5
65.03928	0.6
67.05503	2.2
69.03435	1.5
69.10422	1.5
69.10837	0.6
71.04986	0.5
76.75542	0.3
79.50214	0.3
81.03422	1.3
83.04977	44.1
84.05313	0.5
85.02899	100.0
86.03220	0.9
87.04469	0.7
91.05499	0.3
97.02882	1.4
99.04474	0.5
101.06014	0.4
103.03895	0.3
109.02880	2.4
111.04435	27.7
119.04895	0.3
127.03915	7.5
129.05472	12.1
137.79419	0.3
140.35054	0.3
151.07555	1.7
165.09105	0.4
169.05008	0.3
171.06512	91.7
172.06857	1.7
187.05989	0.7
193.08560	0.7
205.07074	0.8
231.08617	24.0
232.08893	0.6
235.09880	0.3
259.09653	1.0
277.10684	1.6
319.11719	0.4
337.12537	0.8
721.05713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.8
57.03430	1.5
59.94418	0.7
61.02931	0.9
67.05499	2.5
69.03418	1.2
69.52991	3.0
75.05719	0.8
81.03413	1.6
83.04975	43.6
85.02896	100.0
86.03259	1.0
87.04490	0.9
89.71388	0.8
91.05493	1.0
97.02895	1.3
98.22710	1.1
109.02869	2.1
111.04436	29.0
123.08185	0.8
127.03886	8.5
129.05469	14.3
135.31923	0.8
145.04941	0.9
151.07491	1.3
163.03864	1.1
171.06512	89.6
172.06822	1.6
187.06100	0.9
193.08633	0.9
205.06999	1.1
207.06795	0.8
221.06018	0.8
225.69809	0.8
231.08621	23.2
259.09711	1.1
277.10764	1.5
319.04507	1.4
372.14920	1.0
381.21173	0.9
499.08401	0.8
561.08063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.7
55.05511	4.4
57.03424	2.5
57.07077	1.1
57.61100	0.9
60.62710	0.7
65.03906	1.1
67.05491	5.4
68.99783	1.5
69.03423	11.6
69.07067	2.5
71.04983	1.4
79.05477	5.3
81.03403	6.0
81.07046	11.4
83.04984	5.0
83.08602	2.9
83.16351	0.9
85.02895	20.4
87.00820	8.7
91.05473	7.2
93.07037	11.7
95.04919	1.2
95.08595	21.8
97.02892	5.7
97.06533	1.4
97.10151	1.2
98.23489	2.2
99.04447	2.6
99.08086	1.2
105.01844	5.0
105.07023	15.5
107.08581	20.8
109.02852	5.3
109.06530	2.5
109.10143	10.1
111.08089	3.5
111.13427	1.0
117.07021	2.8
119.06038	0.8
119.08572	15.5
121.06494	4.5
121.10129	13.3
123.08085	3.4
123.11702	4.0
125.09620	2.5
127.03915	9.9
129.06990	1.7
131.08557	8.4
133.06496	2.8
133.10115	13.7
133.11050	1.5
135.08043	54.5
135.11697	3.9
136.08418	1.3
137.09509	1.8
142.07803	1.5
143.08537	5.7
145.04987	2.4
145.06541	1.0
145.10103	12.7
147.08015	7.1
147.11671	9.1
149.05965	1.7
149.09605	8.3
149.13284	2.5
151.11176	1.7
153.71021	0.8
155.08521	1.5
156.09346	2.0
157.10101	8.4
159.08000	4.0
159.11668	11.4
161.09608	20.7
161.13261	6.2
163.03946	0.9
163.11140	1.0
163.14853	0.9
165.12634	1.0
169.10101	1.9
170.10779	1.2
171.11674	6.0
173.09608	4.2
173.13234	9.1
175.11169	6.2
175.14775	5.0
177.12708	1.7
177.16386	1.3
183.11714	3.0
184.07332	1.4
184.12567	1.2
185.09616	3.0
185.13217	6.2
186.10417	2.4
187.11185	3.3
187.14813	5.0
188.11983	1.5
189.12694	4.3
189.16368	3.3
191.14301	2.9
193.12256	1.9
195.11678	0.9
197.13234	3.5
199.11221	2.8
199.14830	4.7
201.12730	14.4
201.16328	4.9
203.14287	69.7
203.17929	2.9
204.14642	1.7
205.15906	3.8
209.13208	1.6
211.14796	2.0
213.12746	2.9
213.16347	6.7
215.14316	5.9
215.17819	1.5
217.15808	10.5
219.13770	19.4
219.17400	2.4
221.15350	1.0
223.14890	1.0
225.16386	1.1
227.14418	1.5
228.86099	1.1
229.15775	4.1
231.05006	2.5
231.17395	10.6
239.14136	1.1
239.17902	1.2
241.15901	1.9
243.17458	2.0
251.18060	1.1
255.17513	2.3
257.19058	1.8
267.17688	0.9
269.18933	1.7
283.20578	2.3
351.23230	2.3
385.28836	1.7
393.31628	1.4
403.25757	0.9
403.30048	9.5
421.30960	58.8
422.31467	4.2
439.32034	91.7
440.32495	7.0
463.32156	1.8
481.33234	11.4
482.32727	1.0
499.34125	100.0
500.34531	7.4
517.35236	0.9
605.85468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.5
55.05509	7.9
57.03433	6.8
61.02921	6.0
64.15617	4.1
66.01588	4.5
67.05491	13.3
69.03426	35.2
69.07072	15.9
70.77496	4.2
70.77827	6.5
71.04988	6.0
73.02893	9.7
76.06502	4.1
79.05484	10.0
81.03414	34.8
81.07056	29.9
83.14568	4.3
83.83720	4.4
85.02895	84.9
87.00822	33.2
91.05515	15.7
93.07030	40.2
95.08601	64.6
97.02888	51.7
97.06533	5.7
99.04467	13.8
105.01864	30.2
105.07017	30.0
107.08576	49.8
107.15666	4.2
109.02882	42.8
109.10138	36.8
113.05894	4.2
117.01855	6.6
119.08574	75.1
121.06539	7.8
121.10120	47.4
123.11764	11.4
125.09576	4.6
127.03903	60.0
131.08524	24.1
133.10101	45.2
135.08101	8.0
135.11690	24.1
136.52086	4.4
137.09656	6.8
142.07858	4.8
143.08517	9.1
145.04939	23.5
145.10121	43.0
147.11708	30.4
149.13220	24.1
151.27475	5.5
157.10124	16.0
159.02809	21.0
159.11679	30.1
161.09650	11.9
161.13246	46.5
163.07584	9.4
163.11189	8.0
163.14835	36.4
169.10130	7.2
171.11691	15.2
173.13266	50.2
175.14792	45.3
177.16341	21.9
179.07025	8.7
183.11577	6.8
185.13242	24.4
187.14790	67.0
189.12723	25.9
189.16344	63.1
191.14328	15.4
191.17899	27.5
199.14851	17.3
201.12621	9.1
201.16391	33.3
203.14236	22.8
203.17915	74.6
205.15871	17.7
213.03914	7.7
213.12901	4.8
213.16325	24.7
215.14311	5.4
215.17989	19.7
219.17451	6.7
223.16846	4.7
225.16470	6.3
231.05060	10.8
231.13773	5.2
233.15334	15.4
235.13297	21.0
243.21272	6.1
245.15199	6.5
247.16974	18.7
248.07755	5.3
249.14899	17.0
249.18562	8.0
251.16249	23.6
261.18466	19.9
267.15860	8.0
267.21127	12.7
297.64630	4.4
309.25806	4.5
355.26117	5.6
362.79013	5.5
365.31894	5.4
375.30511	14.3
393.31570	54.7
395.33096	8.5
411.32391	22.0
421.30984	34.7
435.32431	17.8
439.32043	100.0
439.37662	7.8
440.32516	5.9
449.30420	9.5
453.33612	51.9
457.33133	80.3
458.33447	8.8
467.31348	31.7
471.34503	55.5
481.33206	15.0
485.32413	7.8
499.34113	45.8
782.38428	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	782.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	2.9
62.69055	1.1
70.06599	6.5
71.08646	1.5
71.41600	2.0
71.70170	1.4
77.26357	1.1
77.72690	1.2
82.80230	1.2
88.07623	7.6
106.08646	3.8
198.12933	1.2
212.23723	8.4
256.26538	2.8
274.27380	100.0
275.27679	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	782.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.9
58.06365	0.2
58.06641	0.4
59.07386	0.3
60.07868	0.3
60.08157	5.2
67.05468	0.2
67.62930	0.2
70.03942	0.5
71.07369	3.3
81.07035	0.3
86.09695	29.9
87.10035	0.4
95.08574	0.3
98.22771	0.2
98.98457	3.4
104.10731	1.9
115.70433	0.1
124.99987	20.6
126.00328	0.3
128.52711	0.1
143.01077	0.3
156.89934	0.1
163.74248	0.2
184.07318	100.0
185.07690	1.4
186.07741	0.2
243.35381	0.2
266.57037	0.2
502.33044	0.2
574.18732	0.2
632.09979	0.2
782.56659	2.1
783.56146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39799	0.1
55.01854	0.2
55.05503	0.2
57.03412	0.2
67.05497	0.5
69.03416	1.0
69.07068	0.7
69.30522	0.5
69.30928	0.3
79.05484	0.2
81.03397	1.1
81.07054	1.6
83.04939	0.2
85.02901	1.8
87.00817	1.0
91.05455	0.2
92.28172	0.2
93.07027	0.5
94.73858	0.2
95.08591	1.1
95.62354	0.2
97.02876	0.9
98.22701	0.3
105.01857	0.6
105.06996	0.3
107.08590	0.5
109.02867	0.8
109.06513	0.2
109.10130	0.3
111.04424	0.2
119.58198	0.2
121.06502	0.5
121.10139	0.2
123.11683	0.4
127.03924	1.4
129.01822	0.2
135.08075	0.4
136.08820	0.5
137.05966	4.1
138.06216	0.2
141.55730	0.2
145.04929	0.3
149.09677	0.2
149.13298	0.3
151.07494	1.1
151.95110	0.2
161.13249	0.2
163.07533	1.0
164.08353	1.2
165.09140	0.7
169.04987	0.3
170.10876	0.3
175.07550	0.5
176.08347	0.2
177.09077	2.0
184.07384	0.2
187.05992	0.3
187.07457	0.8
188.08270	0.2
189.03827	0.2
189.09070	0.4
191.10686	0.5
200.49911	0.2
203.10626	2.5
215.10544	0.4
229.12219	0.2
231.04993	0.2
251.32335	0.2
257.15280	0.3
272.17715	1.2
273.06079	0.5
287.20023	100.0
288.20352	4.3
350.41525	0.2
422.75729	0.2
442.85080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05503	5.0
57.03424	2.0
61.02924	0.8
61.52837	0.5
65.01582	0.5
65.03937	0.7
67.05497	1.9
69.03419	6.7
69.16513	2.1
69.16920	0.9
71.04967	1.1
73.02920	0.8
81.03405	2.7
83.04233	0.7
83.04972	36.5
85.02895	100.0
86.03223	0.7
87.00816	2.5
87.04491	0.6
91.05475	1.4
95.04975	0.7
97.02881	3.3
99.04458	1.4
101.05982	0.5
105.01855	2.9
105.07013	1.2
109.02872	2.9
111.03661	1.0
111.04429	20.6
119.04955	1.5
127.03907	11.0
129.01912	0.6
129.05461	9.7
129.06961	0.6
135.04460	0.6
137.05931	1.1
139.03876	0.8
145.04953	1.6
147.04495	0.8
151.07524	6.3
157.06517	1.1
159.02943	1.1
161.05937	0.8
165.09073	3.8
171.06509	66.2
172.06819	1.2
174.06705	0.7
175.07520	1.4
179.07059	1.0
181.04912	0.6
189.07558	40.8
189.08868	1.9
190.07988	0.5
193.08572	7.4
196.22855	0.5
205.08597	0.9
213.03917	0.9
213.09142	0.6
217.08551	1.7
227.07066	0.6
231.05090	1.3
231.10197	0.8
232.72151	0.5
235.09622	4.1
241.08714	0.7
244.09698	2.9
249.06000	1.0
259.09637	5.3
262.10788	3.0
277.10703	10.0
292.43256	0.5
333.11905	2.3
363.10614	1.4
381.11826	2.4
393.20508	0.5
419.11844	1.0
437.12766	0.6
439.40622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.6
55.05507	19.3
57.03421	10.0
57.07061	6.9
59.05006	5.2
61.02926	14.3
67.05505	18.6
68.99770	4.7
69.03416	50.4
69.07058	21.9
69.25008	20.8
71.04980	10.1
73.02913	11.9
79.05480	23.3
81.03408	40.8
81.07050	51.1
83.08621	8.8
85.02892	88.6
85.06519	7.0
87.00820	50.0
91.03962	7.1
91.05460	25.4
93.07038	48.6
95.04956	8.9
95.08594	75.2
97.02877	49.2
97.06516	8.2
97.10165	5.9
98.22659	7.4
99.04453	16.4
99.08074	8.1
105.01855	37.4
105.07015	88.7
107.08573	82.2
107.09248	5.4
109.02859	60.3
109.03533	4.5
109.06512	5.3
109.10136	52.5
111.04492	4.5
111.08070	13.4
113.09627	4.3
115.03932	4.1
117.01781	4.1
117.06989	8.1
119.08568	77.5
121.06486	6.5
121.10130	54.6
123.08060	13.5
123.11697	19.8
125.09715	4.2
127.03898	82.7
127.07542	6.4
129.01842	6.2
129.06944	5.5
129.09137	12.1
131.08548	41.2
133.10104	53.8
135.08022	4.5
135.11684	25.6
137.09599	6.9
137.13229	4.5
139.11186	16.2
143.08546	12.9
145.04936	19.4
145.10083	46.1
147.08029	4.6
147.11670	49.5
149.05975	7.3
149.13235	22.1
155.10640	19.1
157.10132	24.1
157.12241	12.8
158.10922	5.2
159.02905	14.7
159.11667	37.0
161.09572	9.3
161.13225	38.6
163.03874	6.6
163.06064	7.3
163.11179	6.2
163.14777	11.6
171.11659	21.3
173.13234	79.6
175.11263	4.4
175.14796	100.0
177.12740	4.6
177.16461	8.6
182.03687	3.4
183.11719	9.1
185.13271	15.4
187.14809	31.5
189.03986	5.0
189.12712	17.3
189.16389	21.5
191.14288	35.1
191.18010	5.8
193.12221	4.4
197.13214	7.8
199.14825	17.5
201.12741	9.5
201.16385	15.9
203.14371	4.5
203.17941	23.0
205.15825	8.2
207.17447	4.0
211.14734	7.1
213.03925	12.0
213.16290	17.6
215.17876	12.5
217.16110	4.8
217.19539	22.1
218.07928	5.8
219.13815	30.1
221.15353	15.7
225.16310	7.5
227.17880	31.2
229.15768	3.7
231.04884	16.3
231.17410	6.8
233.15508	4.5
237.14833	75.4
237.16940	2.7
245.18924	24.4
253.19550	4.3
263.20062	15.6
281.22485	3.7
332.11053	4.1
340.13654	5.2
343.22729	4.5
397.31143	5.8
401.32062	3.7
402.71902	4.1
407.33401	4.3
409.34537	28.2
419.32874	14.1
425.29971	8.1
425.34845	6.1
427.35516	4.8
437.34042	63.2
447.32452	10.1
453.33551	3.8
455.35172	50.0
465.33609	56.2
466.33740	4.2
471.34415	5.3
483.34613	38.1
498.46902	3.6
501.35471	23.9
525.17981	4.9
553.17535	5.7
584.19781	5.6
585.20306	13.2
586.20667	7.0
629.19342	22.9
630.19763	7.5
634.22919	4.2
661.21985	3.8
666.25775	5.8
676.24683	16.2
708.27203	14.3
720.23456	36.1
752.25934	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	784.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	9.6
55.05259	3.0
55.05508	39.0
57.03431	10.3
67.05499	43.0
67.45326	2.3
69.03416	10.0
69.07063	23.9
71.04998	3.7
71.43122	3.0
77.63924	2.6
79.05479	44.8
81.03393	15.8
81.07050	35.0
83.04971	9.5
83.08598	13.9
83.51562	2.5
85.02893	3.9
86.09688	4.1
91.05466	36.3
93.07035	33.1
94.73190	2.5
95.04965	22.3
95.08605	16.0
97.02893	11.1
97.06522	6.6
97.10178	20.4
105.04462	3.2
105.07027	17.9
105.31697	2.7
107.04952	19.0
107.08585	23.2
109.06488	4.5
109.10112	13.3
111.08057	3.6
117.07003	11.1
119.08562	11.2
121.06498	8.8
121.10147	8.1
123.08061	4.1
125.09601	18.6
129.07060	6.2
131.08568	15.4
133.06410	4.5
133.10109	9.7
135.08014	5.6
135.11668	3.1
141.62898	2.4
143.08539	4.3
145.10104	11.0
147.08034	4.3
147.11612	3.2
149.09558	3.6
149.13217	4.9
159.11710	7.6
168.52812	2.6
171.10289	2.5
171.11699	3.4
177.12718	5.9
180.27399	2.5
184.07327	8.2
185.07693	2.9
187.11157	5.7
189.11185	11.2
195.13632	3.1
205.12219	7.3
207.13792	3.5
223.13261	52.7
223.15286	4.9
227.12796	16.3
229.14265	4.3
231.17064	2.9
249.14961	4.8
253.14345	4.1
273.18442	14.0
275.19928	3.6
279.15964	5.8
281.17572	4.9
291.19510	100.0
292.19717	2.9
297.16928	53.2
298.17224	2.8
347.22070	3.3
349.23743	3.0
365.23196	31.5
448.58017	3.2
475.30234	3.6
519.33063	4.1
550.80353	2.7
569.34363	4.5
587.26367	3.9
587.35614	59.3
588.36053	5.4
662.73724	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	786.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.5
69.14844	9.5
91.05465	1.8
93.03407	3.4
94.45364	1.4
104.04919	1.5
107.04976	7.6
111.04430	26.8
111.05157	1.7
119.26130	1.4
132.04434	7.4
135.04405	18.7
139.03896	33.5
142.06584	2.2
146.09741	1.5
150.05537	5.5
156.08173	3.0
158.09689	1.8
162.05533	4.7
163.03912	11.3
163.06262	2.6
165.07014	2.0
170.06038	1.8
174.09142	3.0
177.07979	2.0
179.09372	1.6
181.04939	14.6
181.06371	1.9
183.08002	1.5
184.07622	2.3
187.03973	3.4
188.07098	6.2
190.08681	4.6
191.09390	4.4
192.10179	100.0
193.06448	1.8
193.10658	2.6
197.06023	2.0
200.07103	1.9
202.08612	22.7
203.03482	5.5
204.10278	3.4
205.06567	5.7
220.09666	85.2
221.06009	10.5
221.10161	1.9
223.07504	10.3
225.05507	5.8
230.08170	2.3
231.02937	2.3
233.05896	10.9
239.07118	5.0
248.09085	7.2
249.05508	12.0
250.06116	2.4
251.07021	8.5
253.04961	8.3
261.05499	4.0
266.10208	40.7
267.06570	5.9
277.04822	7.4
279.06451	16.2
281.04562	5.0
295.05960	30.3
297.07468	2.9
305.04556	1.6
313.07196	2.3
323.05438	22.4
323.08740	2.0
341.06726	2.4
521.10590	4.5
529.77924	1.6
548.70392	1.6
606.16010	28.5
607.15936	2.3
786.20135	70.2
787.20392	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	786.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.5
55.05250	2.1
55.05510	8.2
57.03436	3.9
65.03927	3.6
65.86617	2.3
67.05499	9.8
69.03426	21.5
69.07066	37.1
71.04997	8.9
71.43441	2.5
71.43854	2.2
77.03946	3.2
79.05496	21.9
81.03424	19.4
81.07056	20.5
82.62470	2.1
83.04975	59.9
85.02897	15.1
85.06541	4.2
87.00842	2.6
89.03905	2.2
91.05487	17.3
93.07049	28.0
94.06562	5.6
95.04972	15.6
95.07355	2.5
95.08620	12.4
96.08125	8.2
96.93340	2.1
97.02893	8.9
97.05957	4.1
97.06531	43.7
99.04451	16.1
103.05452	4.6
105.07029	47.6
107.04958	11.7
107.08587	20.2
108.08119	9.6
109.02881	9.1
109.06510	15.7
109.10102	3.7
110.09662	12.9
111.08084	2.2
115.05508	2.6
115.07516	2.3
117.03363	7.5
117.07020	15.0
119.04934	6.8
119.08564	14.5
120.08116	10.4
121.06502	34.0
121.10140	14.4
122.05998	3.3
123.11713	3.3
125.05985	100.0
127.03918	9.2
128.06186	2.7
129.07010	6.7
131.04912	10.9
131.08562	19.1
133.03842	2.8
133.06499	10.0
133.10141	6.6
135.04378	3.1
135.08055	3.8
135.11665	9.2
136.07562	6.2
137.06007	6.9
138.05496	3.8
138.09122	27.9
139.07555	3.4
143.07030	96.9
143.08496	5.3
144.04445	5.5
144.09370	3.5
145.02855	21.2
145.06468	10.9
145.08968	4.4
145.10115	85.0
146.05956	3.7
147.08070	5.6
147.11665	3.6
148.07588	6.2
149.05957	4.6
149.09596	3.2
151.07521	17.1
153.05551	3.2
153.12674	3.0
154.07669	3.3
155.08571	4.1
157.10110	4.9
158.07286	5.6
159.08072	8.6
159.11691	39.9
161.09547	2.6
163.03885	5.7
163.07555	9.0
163.11166	26.6
166.08636	59.5
167.07063	5.6
169.10101	7.9
171.08020	4.2
171.11708	4.8
172.03940	36.4
172.08846	3.9
173.09613	65.0
177.05467	54.9
177.12743	17.2
182.07257	3.2
187.07603	3.1
187.11174	69.5
189.12805	3.9
190.05016	8.9
191.10666	28.4
197.09619	9.6
204.06563	41.2
205.12228	70.9
206.12633	3.3
207.06503	3.3
209.11829	10.4
215.10667	75.0
225.10158	3.1
233.11716	87.2
237.10260	7.2
239.11458	3.1
251.12813	52.4
253.09723	3.3
257.11542	2.7
265.09705	14.3
267.11316	2.3
269.13785	8.0
279.11288	6.4
281.13254	2.8
283.10788	2.7
287.23669	3.8
293.09167	9.3
293.24799	3.5
297.12265	5.2
305.24673	8.8
309.12354	2.5
311.26016	2.8
313.11575	5.0
323.25699	20.8
325.11777	16.9
335.10239	7.6
339.10568	4.2
341.11035	16.8
341.26913	2.7
353.11307	10.3
357.14362	20.1
359.14905	4.9
359.27820	3.5
373.13788	7.2
377.16013	13.0
385.13852	10.2
395.17007	12.3
413.18027	40.8
465.19064	5.1
478.19595	6.7
488.18015	10.1
506.19211	96.0
507.19177	4.2
510.22357	4.6
520.20947	8.2
538.21802	35.1
575.23102	5.1
786.27008	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	786.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	17.0
55.05506	41.7
57.03430	17.6
61.02936	4.3
65.03928	5.9
67.05502	100.0
69.03437	10.6
69.07074	37.3
71.04992	7.7
78.42555	4.6
79.05486	76.9
81.03414	24.8
81.07050	92.1
83.04977	17.4
83.08637	26.3
85.02875	7.0
91.05473	61.0
93.07045	67.1
95.04970	36.0
95.08601	41.9
97.06524	18.8
97.10187	24.7
98.22623	11.6
105.04535	6.3
105.06420	7.0
105.07040	51.8
107.04932	22.1
107.08584	40.0
109.10154	17.9
111.08069	6.3
112.56552	4.6
117.06985	22.5
119.08600	31.7
121.06454	6.3
121.10102	10.5
123.04366	5.4
125.09637	23.4
127.03883	7.8
129.06975	11.7
131.08536	30.3
133.10143	22.9
135.08031	8.8
135.11687	13.1
137.09572	6.5
143.08499	10.9
145.10132	18.6
147.11685	5.5
149.09593	13.6
149.13277	11.4
149.67462	4.7
159.11710	17.6
163.11191	10.9
173.04405	5.4
175.11189	5.6
177.12694	5.9
184.07329	11.3
187.11243	6.1
189.11214	18.6
195.13736	7.3
205.12247	8.9
217.13545	4.7
223.13261	61.6
227.12849	22.1
229.14288	9.5
255.15848	7.2
257.18945	10.3
269.17413	20.5
275.20068	27.1
279.15869	10.7
297.16968	77.4
349.23749	23.6
477.28445	17.2
491.30106	62.5
504.48260	6.5
571.35950	24.6
589.36945	7.2
615.22443	5.1
732.15723	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	787.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14688	2.5
78.95634	4.4
98.23389	1.2
104.99281	1.5
119.01923	0.9
120.96648	27.6
132.96645	8.7
150.97685	18.8
155.01892	2.2
161.40958	0.9
162.97635	1.9
173.02933	2.6
180.98734	5.9
185.02901	1.0
192.98799	4.1
204.98807	2.7
241.00891	6.5
245.05106	2.2
265.00909	1.7
283.01910	28.3
284.02573	1.1
313.02917	6.5
325.03015	1.1
343.04407	1.1
347.08713	3.6
365.10513	9.0
385.04999	1.5
403.01114	1.5
403.06131	22.0
407.10513	5.8
427.06354	1.6
429.09503	4.2
434.36282	1.0
437.11560	0.9
445.07178	100.0
446.07449	4.1
467.12686	4.0
494.22119	0.9
505.01794	1.6
509.14505	1.5
527.15826	40.7
547.09595	2.0
565.10608	2.6
568.63336	0.9
689.21014	31.1
690.21454	2.1
696.82416	1.1
705.18219	11.2
706.18634	1.1
711.18945	1.7
727.16638	56.6
728.16577	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	787.2067
Annotation	Petunoside
Peak:m/z	Relative Intensity
55.01866	0.1
58.48126	0.1
59.27971	0.1
59.52416	0.1
68.55968	0.1
68.99791	0.2
69.60693	0.3
73.25706	0.1
89.03891	0.1
98.22541	0.1
101.27333	0.1
109.02895	0.2
111.00783	0.1
111.04393	0.1
115.05431	0.2
121.02833	0.3
129.76129	0.1
137.02338	1.5
137.03368	0.2
139.03946	0.1
141.06953	0.1
143.04916	0.1
145.02829	0.2
147.04335	0.1
149.02290	0.4
150.03113	0.1
157.06450	0.4
157.22247	0.1
160.50945	0.1
161.05952	0.3
163.03853	0.3
165.01833	0.1
171.04410	0.2
175.03935	0.3
175.07558	0.1
177.05409	0.3
185.05983	0.4
189.05486	0.5
203.06996	0.2
213.05461	1.4
214.05753	0.1
216.04245	0.1
231.06462	0.8
241.04961	0.7
242.05794	0.2
259.05991	0.2
269.04404	0.4
287.05457	100.0
288.05783	3.5
431.09314	0.1
449.10724	2.6
505.57394	0.1
625.15485	7.1
626.15759	0.6
722.93823	0.1
787.20337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
55.05490	1.0
61.02944	0.7
67.05495	1.0
81.07090	1.3
83.04982	3.4
85.02903	7.5
86.09727	1.2
89.03912	1.2
90.22687	0.7
91.05478	5.4
95.04996	1.4
111.04459	1.5
119.04967	2.9
123.04419	0.8
129.05484	1.3
135.04440	1.9
145.02852	1.3
145.10074	0.7
149.14661	0.7
151.07529	5.7
163.03906	8.4
163.04901	0.7
164.04373	1.0
173.05882	0.8
193.04802	3.4
287.05582	1.6
362.56000	1.0
544.81732	0.9
557.16492	2.0
637.21082	0.8
787.24091	100.0
788.24390	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	787.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75141	1.0
64.75285	1.0
65.03953	1.3
81.03419	2.9
83.30762	1.1
85.02895	1.4
87.93613	1.4
91.05450	1.3
93.05762	1.8
94.06561	5.4
96.08125	1.5
108.04455	1.7
108.08129	7.7
110.09686	4.4
116.04959	1.7
120.04433	3.2
120.08105	6.0
122.06017	4.3
122.09657	2.7
124.07536	1.8
132.04428	1.3
134.05998	1.9
136.07567	7.0
136.79079	1.2
138.09128	5.2
143.18066	1.2
144.04401	1.8
146.06006	5.8
148.07530	4.1
150.09114	2.5
158.09647	1.3
160.03938	2.3
164.07042	1.7
166.08638	4.6
172.03920	4.9
174.05507	2.8
186.05470	2.4
190.04987	8.1
209.10666	1.5
210.09119	1.3
210.11571	1.5
211.08569	2.2
225.10269	5.3
227.11757	10.9
235.97992	1.3
237.10182	2.9
239.11852	2.2
244.09714	1.2
247.10431	1.3
249.10112	1.5
251.11784	2.7
253.09706	4.7
255.11362	3.3
265.09744	3.6
267.11322	2.4
269.12888	3.4
271.10764	3.8
278.10370	1.8
279.11258	4.7
287.05533	2.5
295.10837	2.2
297.12305	3.8
302.12604	1.7
305.08936	1.5
307.10651	1.9
315.13617	2.3
316.14081	1.4
325.11765	3.3
327.14136	1.3
328.10764	1.6
328.14301	1.9
329.11481	2.6
330.15997	2.0
331.17035	1.4
340.14496	1.5
342.12268	3.9
342.16028	1.6
343.13113	4.3
344.13962	2.7
356.13739	3.5
358.15500	4.8
370.15485	3.1
385.13828	1.3
386.14822	2.7
394.15247	1.3
397.14319	1.5
398.14938	12.0
399.15799	6.8
400.16455	2.4
412.16708	1.6
413.17154	1.4
416.15817	3.1
422.14832	1.6
440.16013	2.0
441.16656	1.4
458.16690	2.0
560.19885	4.7
572.19946	1.9
584.19971	2.5
590.21356	2.8
602.21216	5.7
673.26385	1.9
709.27991	2.3
711.29724	5.1
713.27850	4.8
719.27045	2.3
727.28833	3.5
737.28284	6.2
755.29132	100.0
756.29285	8.9
787.29755	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	788.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.1
55.05505	27.8
57.03428	6.0
57.07074	1.8
59.04976	1.4
61.05064	1.2
65.03943	2.8
67.05498	69.8
69.03423	12.8
69.07063	32.0
69.07440	1.7
71.04988	29.1
73.02924	1.4
76.96320	1.3
78.56425	1.1
79.05484	37.4
81.03418	5.0
81.07047	100.0
83.04977	8.0
83.08614	9.9
85.02923	1.9
85.06541	8.6
91.05473	38.6
92.45403	1.3
93.07033	34.3
93.11471	1.2
95.04954	11.0
95.08598	14.9
97.02879	15.6
97.06522	8.4
97.10156	11.7
99.08098	2.4
101.64810	1.2
101.80751	1.3
105.04476	1.4
105.07018	20.3
107.04945	7.8
107.08581	20.2
109.06512	4.2
109.10149	16.4
111.08053	3.3
117.07019	10.7
119.08562	10.5
121.06492	2.9
121.10126	9.2
123.04447	1.7
123.08077	5.3
123.11695	8.5
124.99995	1.9
125.05963	1.5
125.09615	10.9
129.07002	1.8
131.08563	12.1
133.06445	2.3
133.10109	19.5
135.08032	6.0
135.11691	4.8
137.09587	2.2
143.08537	3.0
143.10641	1.4
145.10127	6.0
147.08051	3.9
147.11697	4.4
149.09645	3.3
149.13229	8.3
151.11195	6.2
153.09064	1.5
157.10037	1.4
159.08153	1.5
159.11691	7.6
161.09650	2.3
164.30864	1.2
165.09259	1.4
175.11156	2.5
177.12782	4.8
183.13831	2.6
184.07291	6.1
185.13327	2.0
187.13281	3.6
189.11115	3.2
195.13797	2.8
201.14822	2.5
216.14194	1.3
223.13248	21.3
225.14842	5.9
227.12810	3.8
245.19054	1.6
249.14793	2.4
253.14407	1.6
257.17529	2.2
269.17535	8.6
273.18481	11.5
291.19501	95.3
292.19864	3.6
301.20062	28.3
347.21945	2.8
365.23209	20.4
366.23303	1.6
433.48322	1.3
461.29022	2.2
511.32581	3.0
515.33563	4.2
533.34680	99.4
534.34949	3.6
547.36218	19.2
559.36230	61.3
560.36450	4.5
591.38922	32.8
591.48322	1.1
592.38684	2.1
789.38776	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	788.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.0
55.05510	13.7
57.03442	7.6
57.07086	2.0
59.40228	2.4
65.03928	3.4
66.21838	2.1
67.05500	80.0
69.03446	4.4
69.07061	19.2
69.43573	8.2
71.01366	2.3
71.04992	35.9
71.05362	3.7
79.05487	37.8
81.03408	12.2
81.07053	100.0
83.04973	13.8
83.08630	8.9
84.72531	2.5
85.06547	10.7
86.09720	1.9
91.03942	2.0
91.05477	57.6
93.07023	38.9
93.48990	1.9
95.04942	12.0
95.08595	21.0
97.02911	2.3
97.06543	8.6
97.10161	3.0
105.07018	42.8
107.04982	6.2
107.08601	32.7
109.06527	7.7
109.10149	48.1
111.08057	5.3
117.07023	7.5
119.05009	2.2
119.08580	11.9
121.06485	5.0
121.10130	9.9
123.08069	4.0
123.11697	15.4
124.99976	3.6
125.75659	2.1
128.57950	1.9
131.08556	14.0
133.06572	5.3
133.10124	66.8
135.08047	5.8
135.11700	8.2
143.08580	3.5
145.10162	5.0
147.08063	3.2
149.09644	7.3
149.13254	5.4
151.11172	30.3
157.10158	4.6
159.11703	5.6
161.09613	4.8
168.36118	2.0
169.12242	5.0
171.11676	5.2
177.09212	2.1
180.36873	1.9
183.13776	4.1
184.07320	14.0
187.13304	4.9
187.41019	2.4
195.13704	3.1
203.74670	2.2
225.14920	3.5
245.19057	3.4
253.14325	82.8
254.14673	3.2
257.17505	3.1
263.20035	2.5
269.17365	9.8
273.18411	14.6
291.19464	14.3
301.20056	23.1
309.20645	2.1
335.25714	5.4
347.22095	3.9
365.23264	14.1
421.25903	6.3
447.27930	2.5
453.28391	22.9
496.78430	2.0
497.31168	8.2
515.33527	9.9
533.34711	55.4
534.34930	5.5
541.35040	4.4
547.36255	9.0
559.36255	31.3
573.37622	3.0
591.38776	32.9
592.39215	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	1.7
58.71494	1.4
65.03922	1.5
67.05492	2.6
69.02619	1.4
69.03423	2.8
69.07063	2.2
69.15036	9.9
69.73293	1.5
77.78390	1.6
79.05482	2.6
81.03434	2.5
83.04973	4.6
85.02925	1.4
86.41061	1.5
89.29462	1.4
91.05486	3.4
93.07035	4.2
94.06557	5.4
95.07320	1.8
96.08134	3.6
97.06532	2.3
98.23450	3.1
105.07027	4.0
108.08113	18.8
109.93940	1.5
110.09688	7.1
116.15629	1.4
117.07043	2.2
120.08106	9.4
121.06469	1.7
122.06027	8.8
122.09673	3.6
124.07612	1.9
125.05968	3.2
127.03931	1.7
132.08075	2.0
134.05975	2.0
135.04453	1.8
136.07570	18.6
138.08218	1.7
138.09129	10.4
144.04451	4.1
145.10173	3.8
146.06013	6.8
148.07578	10.1
150.05589	1.6
150.09154	6.0
152.07065	10.8
160.03961	2.2
163.03915	2.5
164.07095	6.9
166.08624	11.8
172.03897	15.2
173.09633	2.3
181.04974	2.7
185.42033	1.4
190.04976	6.3
194.08043	2.6
197.10754	1.9
198.11517	3.2
204.06546	23.6
204.08339	2.3
205.12216	2.3
210.11420	1.6
211.12260	4.0
220.09821	1.9
223.12225	2.6
225.10220	4.9
227.11766	7.2
236.09198	2.6
237.10265	6.0
238.11014	5.3
239.11804	10.7
240.12527	3.7
249.10254	7.0
250.10991	3.2
251.11795	17.2
252.12602	4.6
253.09659	2.0
253.13373	7.4
255.11261	3.0
263.09259	2.0
263.11780	12.7
264.08832	2.1
264.12497	2.1
265.09726	6.0
265.13394	7.1
266.10605	3.0
266.14127	3.2
267.11203	10.1
268.11942	1.9
269.12952	2.9
271.10468	2.8
277.09677	2.2
278.10410	4.1
279.11282	16.5
280.12097	2.1
281.12686	8.3
284.34814	1.6
285.12375	7.9
287.13797	2.2
291.11267	8.5
292.11847	2.5
293.09830	1.8
293.12576	8.0
295.10803	3.8
296.11566	2.3
297.12286	11.9
299.13882	3.2
307.10779	4.6
309.12332	5.6
310.12985	3.1
311.13873	17.3
319.10699	5.8
321.12299	4.4
323.10327	8.8
323.13516	2.5
325.11987	4.6
326.12347	2.2
327.13409	3.9
330.16083	2.1
337.11777	2.8
339.13412	5.3
355.12848	9.2
356.13742	3.0
357.14603	2.6
358.19052	1.9
367.12683	2.1
370.15506	2.7
381.14050	1.9
393.14346	2.2
399.15604	3.7
400.16180	2.1
411.15326	3.8
413.17480	2.4
430.17404	1.9
435.15448	1.7
441.16498	4.5
446.20850	2.2
453.16354	2.3
469.16086	1.8
471.17584	9.0
472.18445	2.5
481.15875	7.1
490.19510	2.1
590.24243	1.8
592.22607	2.2
593.23468	8.2
594.24078	7.0
604.22552	2.6
606.24792	8.7
611.24591	5.1
618.24127	3.3
620.22095	4.9
621.22791	3.8
622.23737	4.7
634.23877	39.6
635.23395	4.1
636.25348	3.1
638.26874	2.1
666.26471	100.0
667.26715	12.4
739.29211	7.1
757.30670	33.3
758.30652	2.6
789.33301	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	789.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
57.28860	1.6
67.05497	3.3
69.03433	3.4
71.42211	2.6
79.05484	3.4
79.14166	1.7
81.03431	4.5
85.02895	3.3
91.05473	4.8
93.05782	2.2
93.07040	7.3
94.06555	12.0
95.04995	3.7
95.07352	4.3
95.08607	2.0
96.08126	8.5
97.02889	2.6
103.05424	3.0
106.06538	6.4
107.07314	3.0
108.04450	3.2
108.08112	27.9
109.02854	2.1
110.09673	12.2
120.04482	3.2
120.08104	20.2
122.06025	20.6
122.09687	10.4
124.07601	4.2
132.08029	2.2
134.05984	4.2
134.09720	3.0
136.07574	40.6
138.05469	3.0
138.09148	21.1
144.08046	2.0
146.05989	10.2
148.07552	17.2
150.05647	2.1
150.09155	10.0
152.07066	12.9
158.06020	1.9
160.03986	2.2
160.07568	5.2
162.05510	3.8
162.09114	3.5
163.03859	3.5
164.07065	7.1
166.08604	23.0
172.03847	10.0
190.04997	9.4
197.10693	1.8
198.08932	1.8
198.11540	2.6
199.12357	2.9
204.06577	10.6
209.10741	2.2
210.11441	4.1
211.12225	13.1
212.13051	2.2
221.10724	2.0
223.08638	2.0
223.12326	5.5
224.09398	3.6
225.10289	8.9
225.13840	4.8
226.10950	7.0
227.11678	10.9
233.10707	2.1
235.08540	3.3
235.12335	3.2
236.09335	4.0
237.10217	19.0
238.10930	12.6
239.11751	25.0
240.12418	6.8
241.13289	2.6
243.91356	2.0
246.11292	2.3
248.09541	2.7
249.10204	12.5
250.10910	6.7
251.11784	35.5
252.08746	2.2
252.12538	12.2
253.09598	5.3
253.13306	13.2
254.14124	2.7
255.11269	7.0
259.14539	1.9
262.11133	3.0
263.11771	28.5
264.08829	2.0
264.12601	7.3
265.09811	12.8
265.13263	14.5
266.10645	8.8
266.14084	7.9
267.11249	31.9
268.12003	5.5
269.12836	5.1
271.10870	2.2
271.14236	2.7
273.12338	2.5
274.10825	2.7
276.12604	2.6
277.09686	8.7
277.12897	3.4
278.10358	7.4
278.13348	2.4
279.11255	47.2
280.12033	14.4
281.12775	16.6
283.10757	4.8
284.11444	2.3
285.12274	22.5
291.11264	21.0
292.11972	4.9
293.09641	3.8
293.12778	17.9
294.13342	2.1
295.10660	5.8
295.14111	3.5
296.11438	4.4
297.12326	26.1
298.13174	2.4
299.13953	8.8
305.12888	2.2
307.10678	6.8
307.13947	2.0
309.12329	11.2
310.12833	5.9
311.10382	3.1
311.13916	38.6
312.14447	2.2
313.15433	2.4
319.10767	14.5
321.12216	11.1
323.10168	8.6
323.13742	3.8
325.11850	9.1
327.13379	8.3
328.14429	2.4
329.15189	2.7
337.11700	7.1
339.13599	12.1
340.14063	2.8
341.14948	3.0
342.16245	3.7
344.17575	4.1
351.13174	3.2
353.14987	6.3
355.12924	3.9
356.17511	2.6
358.15170	4.0
358.19183	2.6
365.15027	3.4
369.14697	4.7
370.15359	4.0
371.16000	2.1
372.17203	2.6
376.20096	2.1
379.12817	2.6
381.14383	4.4
382.15140	2.7
383.16058	3.0
384.17056	3.0
386.18726	2.2
387.14966	2.4
388.16690	2.7
393.14267	3.0
399.15189	2.6
400.16452	5.1
402.18240	3.2
404.19846	4.0
411.15390	11.6
412.16260	4.1
413.16974	3.0
414.18381	4.3
418.21167	6.0
419.15369	2.0
423.15472	4.5
424.16290	3.7
427.14804	3.5
428.15628	2.8
429.16348	9.7
430.17523	7.2
431.18338	2.7
432.18918	2.6
435.15271	3.6
439.14734	5.3
440.15173	3.1
441.16605	11.2
442.16965	3.1
443.18002	2.7
444.19049	2.8
446.20657	7.3
448.18216	2.3
450.20007	3.3
453.16327	8.1
459.17432	5.7
462.20404	2.7
463.14694	4.4
464.21982	2.4
467.14578	2.7
469.16116	4.7
471.17804	16.9
472.18420	4.2
481.16153	20.3
534.22180	2.2
546.21161	2.9
551.22168	2.1
556.20630	4.3
562.21741	4.1
566.24615	5.1
568.20966	3.6
574.21625	7.7
578.24829	4.7
580.22723	3.9
586.21558	3.2
590.25079	4.2
591.23718	3.7
592.22485	6.2
593.15106	2.5
593.23730	43.2
594.24371	37.9
595.25092	6.2
604.22693	5.3
606.15332	3.4
606.24384	43.3
607.25214	3.7
616.23102	4.9
618.24390	10.5
620.22339	24.0
621.23047	13.2
622.23865	12.2
634.23950	100.0
635.24542	19.7
636.24823	7.1
652.24890	3.5
655.27820	2.2
666.15558	3.5
666.26501	57.5
667.27124	16.1
668.27893	2.2
675.27893	3.5
693.28119	2.7
703.26678	2.5
708.96930	2.0
711.30035	4.4
721.28229	7.7
729.30518	5.2
739.29535	20.0
757.30646	96.8
758.30792	11.1
789.32391	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	789.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.05510	2.5
57.03435	2.6
61.02921	6.0
66.59830	0.7
67.05497	6.0
69.03418	4.5
69.07063	2.6
70.14193	0.7
71.04993	1.2
72.40096	0.7
73.02924	2.9
77.03117	0.7
79.05478	5.1
81.03403	4.2
81.07059	3.6
83.04961	0.8
83.08626	1.5
85.02918	3.6
91.03953	2.3
91.05484	3.1
93.07042	3.8
95.04961	3.7
95.08606	2.4
97.02873	4.2
97.10174	1.5
98.22601	1.9
101.02373	1.8
105.07057	2.6
107.04975	1.0
107.08585	1.8
109.06528	1.3
109.10128	1.1
119.08578	1.6
127.03929	1.1
131.08577	1.4
133.10156	2.3
141.19554	0.8
149.03288	0.7
154.82809	0.8
159.11714	1.1
184.07437	1.8
193.12193	0.9
223.13397	2.5
230.00908	0.7
243.08543	3.1
267.15967	0.9
291.19705	1.1
292.19135	0.7
297.65765	0.9
377.57260	0.8
466.30911	1.0
481.20407	6.3
541.35413	0.8
542.35950	0.9
549.26654	3.2
578.15021	0.9
718.51306	0.8
789.40155	100.0
790.40363	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	790.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
57.03418	1.3
59.84356	0.4
60.04498	0.6
61.02906	1.2
65.03936	2.9
65.74192	0.4
67.01856	6.3
67.05488	0.5
68.99779	1.4
69.03421	19.2
69.03802	0.9
70.71029	0.5
71.04978	4.8
73.02904	0.7
77.21209	0.4
81.03408	33.2
82.03716	0.5
83.01309	0.8
83.38573	0.4
85.02895	18.9
87.00807	4.4
93.03399	5.1
95.04931	0.7
95.08629	0.4
97.02879	54.6
98.03230	0.7
99.04440	9.1
105.01840	2.4
109.02867	31.8
110.76819	0.4
111.04427	11.5
115.03949	0.4
127.03896	100.0
128.04239	1.2
128.32582	0.4
129.01843	1.2
135.04398	0.5
137.02328	95.9
137.03404	6.1
138.02646	1.5
139.03880	33.9
144.06490	0.5
145.04947	7.3
147.02849	1.5
147.04179	0.5
149.05980	0.5
151.03893	1.3
155.03365	27.4
162.07585	1.3
163.03879	4.3
163.05933	0.4
167.03372	26.6
168.03670	0.5
169.04945	1.0
173.05920	0.7
177.05435	1.0
179.03377	1.1
180.08640	1.7
181.04942	1.0
185.04378	0.7
187.04265	0.6
187.05986	17.7
188.06174	0.5
191.03371	1.4
191.07060	0.7
195.02838	0.6
201.05415	4.4
205.04933	1.8
209.04390	3.5
213.03918	10.9
214.43121	0.4
217.04880	0.5
229.04942	6.0
231.04977	9.5
233.04466	0.9
247.05940	6.9
247.08249	0.7
249.06020	3.4
257.04434	6.7
258.04733	0.5
273.06036	4.9
275.05453	14.1
291.07025	10.9
293.06531	1.1
307.95380	0.4
328.49072	0.4
333.05954	0.7
343.04535	0.6
349.05292	0.7
361.05450	4.9
379.06476	2.1
411.06857	2.0
421.07608	1.0
427.08698	3.0
429.84900	0.4
457.09540	1.0
504.43073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	7.6
55.05505	8.3
57.03414	4.5
65.03947	4.8
67.05501	9.3
69.03429	30.9
69.07064	37.2
69.09070	19.4
69.09477	5.4
69.61841	3.0
70.06566	3.9
71.04994	12.0
73.06564	3.8
79.05479	25.9
81.03411	23.6
81.07043	19.4
83.04974	75.2
85.02895	21.4
85.06570	4.0
88.26139	3.4
91.05467	23.2
93.07043	25.0
95.04980	23.1
95.08575	8.1
97.02890	11.4
97.06525	60.0
98.22686	6.5
99.04440	18.6
103.05472	4.2
105.07021	69.7
107.04964	11.4
107.08591	18.7
109.02872	11.2
109.06507	12.3
111.04446	7.6
117.07018	18.8
119.04923	5.1
119.08559	8.2
121.06493	35.1
121.10130	8.5
125.05980	99.4
127.03882	11.1
128.06178	4.4
129.07053	5.6
130.07770	6.4
131.08549	20.7
133.06491	14.4
133.10092	8.1
135.04457	12.2
135.08087	6.4
137.05986	13.0
143.07024	96.1
143.08505	10.7
144.09384	6.4
145.02852	6.7
145.06476	12.8
145.10109	100.0
145.11230	6.7
147.08041	8.3
147.11691	6.7
151.07559	12.7
155.08517	10.3
157.10066	4.2
158.07286	11.2
159.07996	8.5
159.11665	38.9
163.03871	26.4
163.11136	35.8
169.10115	11.3
172.08801	4.7
173.09593	78.4
176.28200	3.3
177.05461	4.4
177.12727	18.7
179.08524	5.5
182.07333	3.9
185.09636	5.6
187.11143	74.3
187.12675	5.5
191.10619	38.4
197.09637	11.1
205.12215	77.7
205.14079	6.1
209.09920	4.3
209.11610	17.1
215.10674	77.1
215.12787	3.9
223.13251	5.4
233.11699	100.0
233.13904	5.6
251.12746	51.6
253.50865	3.9
269.13803	5.0
377.16064	17.6
395.16907	12.8
413.17981	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	790.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.5
55.05511	19.2
56.81585	1.0
57.03435	7.8
57.07066	2.1
59.04979	1.7
61.02923	2.1
65.03931	3.0
67.05496	66.3
69.03426	7.0
69.07063	22.3
69.94250	1.8
69.94581	2.4
71.04986	35.1
79.05486	46.9
80.00347	1.2
81.03416	8.8
81.07049	100.0
82.07371	1.4
83.04967	10.0
83.08614	11.3
85.02892	4.3
85.06533	7.6
91.05467	45.8
91.74683	1.1
92.05790	1.4
93.07037	38.6
94.07384	1.2
95.04955	10.4
95.08596	22.4
97.02859	4.3
97.06516	11.4
97.10182	5.9
98.16978	1.0
99.04432	1.7
99.08084	3.9
105.04522	1.3
105.07018	28.8
107.04932	3.9
107.08585	30.5
109.02863	2.6
109.06507	6.2
109.10132	10.7
111.08088	5.3
113.05995	1.1
113.09622	2.0
115.05353	1.4
117.07011	10.8
118.55882	1.1
119.08572	13.9
121.06489	2.9
121.10139	13.0
123.08064	1.9
123.11703	14.6
125.09590	6.4
127.03898	2.7
129.06987	4.1
131.08572	12.2
133.10123	25.9
135.08031	4.8
135.11662	10.4
141.07004	1.6
143.08536	2.5
145.06491	1.2
145.10107	9.4
147.11639	7.8
149.09549	7.4
149.13264	9.5
151.11137	6.3
157.10097	2.7
159.11699	13.3
161.13261	3.7
163.11150	4.1
171.11670	3.2
173.04503	2.5
173.13298	3.1
175.11049	1.2
177.12721	4.8
179.14272	2.1
183.11775	1.6
183.13786	3.7
184.07364	2.3
185.13214	1.7
187.13255	4.6
189.11246	1.8
195.13858	3.7
197.13333	1.6
201.12788	1.2
214.49852	1.1
225.14742	1.6
227.12769	7.8
229.19615	1.9
233.15257	1.2
239.17870	1.6
243.15929	3.7
255.15939	1.4
257.19104	3.3
267.15863	2.8
269.17517	10.7
275.20029	16.4
283.19009	1.3
293.21112	1.5
301.20016	22.0
349.23703	14.2
414.26541	1.4
423.27234	6.0
427.27057	3.6
437.29022	18.7
445.28967	1.2
449.28976	14.9
451.30481	6.3
463.30478	15.3
477.32211	1.8
481.31375	4.3
495.33154	28.0
499.34116	4.5
503.33847	1.7
516.11676	1.2
517.35229	34.0
518.35925	2.6
531.36584	4.9
535.35803	2.3
543.36780	16.6
544.36688	1.4
561.38190	1.4
575.39404	14.3
581.32916	2.1
593.40314	3.5
607.34851	2.5
744.36200	1.9
790.40112	4.1
791.36511	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	791.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40059	0.7
66.64621	0.7
69.25498	3.7
78.83204	0.6
89.57239	0.7
93.07053	1.0
98.23530	1.2
100.54253	0.7
117.56522	0.6
161.23877	0.8
181.86156	0.7
193.27531	0.7
286.68719	0.8
714.94629	0.7
791.39691	100.0
792.40314	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	791.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.05517	2.9
57.03428	2.9
61.02915	5.1
65.03900	1.2
67.05503	9.3
68.05799	0.9
69.03434	3.5
69.07076	2.7
71.04997	1.8
72.08130	0.8
73.02905	5.4
79.05485	7.5
80.05830	0.8
81.03402	4.7
81.07050	9.3
83.05013	2.3
83.08621	2.0
85.02911	4.2
91.03964	2.6
91.05466	6.7
93.07035	6.3
95.04972	4.4
95.08613	3.7
97.02886	4.9
97.10137	1.1
99.04436	1.5
99.08088	0.8
101.02378	1.8
105.07043	3.9
107.08611	4.4
109.10178	1.6
111.08142	1.2
117.07029	1.8
119.08614	2.5
121.10134	1.2
127.03973	1.6
129.07019	1.1
131.08565	2.3
133.10164	3.2
135.11751	1.5
145.10126	1.3
147.11702	1.3
149.13335	1.1
159.11725	1.0
163.11159	1.0
184.07372	1.5
185.04462	1.0
243.08492	3.4
260.34827	0.9
267.16019	1.4
275.20142	1.1
318.16995	1.0
333.20462	1.7
349.00253	1.0
349.96600	1.0
481.20181	5.0
543.36938	1.4
544.37103	4.3
551.28149	5.4
652.19226	1.1
791.41736	100.0
792.42273	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	792.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	11.5
57.03439	7.0
61.02919	4.4
61.18836	1.5
67.05495	4.8
67.34201	1.5
68.99782	5.1
69.03060	3.3
69.03424	49.6
69.03800	2.8
69.93723	1.7
69.94068	3.4
71.01337	2.5
71.04994	4.9
73.02918	8.1
81.03413	47.8
81.03897	2.4
83.04975	5.1
85.02898	92.1
87.00827	35.3
91.12254	1.6
92.67541	1.6
95.01319	1.6
95.04980	5.6
97.02887	37.5
99.04452	15.5
101.85718	1.7
103.03934	5.2
105.01857	32.3
109.02866	54.1
111.04430	5.6
113.02399	1.7
115.03934	5.1
116.16682	1.6
117.01849	3.8
123.04376	7.7
125.02367	3.9
127.03909	76.3
128.04214	1.8
129.01877	6.0
137.05992	2.0
139.03899	3.9
145.04968	18.1
147.02892	3.3
151.03870	8.0
159.02838	12.1
163.03932	1.6
165.05527	3.0
169.04956	9.7
169.06276	1.9
170.82520	1.6
171.02957	2.1
177.03923	1.6
178.22614	1.7
187.06003	5.5
189.03902	13.1
189.06943	1.6
190.07759	8.8
193.04974	4.7
196.94258	1.7
201.03864	2.1
202.07748	2.1
205.10097	19.5
213.03868	10.0
215.05545	2.4
215.08553	2.4
218.07289	5.9
219.05040	1.7
231.04982	21.6
233.09581	42.4
235.05927	2.6
245.94147	1.6
246.06651	1.9
249.06039	6.2
253.06975	2.5
255.05165	1.8
259.11136	2.0
261.09082	100.0
262.09387	4.0
273.06052	35.2
273.08945	3.3
274.06485	1.9
275.10745	5.8
279.10123	16.4
287.10623	2.9
289.08694	2.8
291.10187	4.4
302.03076	1.7
303.10031	9.1
315.07013	3.6
321.11227	10.9
327.10123	2.4
339.07001	4.9
357.08078	3.0
387.12177	2.3
396.10922	1.7
461.09100	2.1
468.30319	1.6
491.13339	4.9
509.14368	2.3
547.64398	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.9
55.05505	19.2
57.03424	7.7
57.07066	7.8
58.17792	1.5
59.04981	1.7
61.02911	7.2
67.05159	2.6
67.05497	32.3
68.99775	3.6
69.03063	2.9
69.03426	42.7
69.03797	2.7
69.07062	23.3
69.76911	3.7
69.77299	3.5
70.06580	17.8
71.04993	9.2
71.08586	1.9
73.02918	9.1
79.05490	19.1
79.35233	1.9
81.03418	41.4
81.07048	53.9
82.77662	1.9
83.04976	3.9
83.08612	15.5
85.02898	89.3
85.06535	15.0
87.00822	39.6
87.04473	3.3
91.03953	4.4
91.05468	26.6
92.66889	1.8
93.07039	39.8
93.65697	2.0
95.04961	14.1
95.08601	53.3
95.68326	1.7
97.02889	38.0
97.06526	2.9
97.10169	4.8
99.04457	19.0
99.08074	5.3
100.07574	2.8
100.11237	9.6
101.02351	2.2
103.03934	2.0
103.05445	2.9
105.01861	28.6
105.07021	45.7
107.04950	2.6
107.08586	51.8
109.02870	37.7
109.06503	4.7
109.10151	57.8
111.04449	7.1
111.08076	2.3
113.09640	17.9
115.03914	6.8
115.05482	3.5
116.06168	2.5
117.01860	5.2
117.07008	8.5
119.08573	53.8
121.06522	4.7
121.10143	53.8
123.08050	3.2
123.11703	29.3
125.05975	2.4
125.09639	4.4
127.03905	69.6
129.01843	7.7
129.06995	4.3
130.07771	2.0
131.08543	19.4
133.10123	100.0
134.10446	2.9
135.04408	2.3
135.08038	3.4
135.11690	57.1
137.06010	2.8
137.09596	3.8
137.13216	3.8
139.11137	4.8
143.07298	1.7
143.08545	7.8
144.09303	3.8
145.04951	28.5
145.10118	44.8
147.02919	4.6
147.08047	2.7
147.11662	26.8
149.09602	3.0
149.13264	14.2
151.07600	2.8
151.11169	7.4
155.08525	4.1
155.10675	5.4
157.06418	1.8
157.10139	10.0
158.10899	4.4
159.02881	22.4
159.11681	32.2
161.04395	3.5
161.09544	2.4
161.13229	14.4
163.03905	5.2
163.11169	4.1
163.14799	18.0
165.12746	2.8
167.07062	5.8
169.10133	3.1
171.11670	9.4
173.09656	2.8
173.13255	49.8
175.11113	4.4
175.14816	27.6
177.03893	2.0
177.12744	4.2
177.16391	3.9
179.08592	2.5
181.04929	3.0
182.15433	4.1
183.11679	4.4
185.13200	11.2
187.14790	35.3
188.15404	2.3
189.03883	3.8
189.16379	7.0
197.13306	3.1
199.14793	5.0
201.16371	24.0
202.16798	2.7
203.10579	2.1
203.14217	2.0
203.17946	12.0
205.15921	3.3
209.13257	3.2
210.14842	6.4
211.14900	2.7
213.03946	5.2
213.16376	2.7
215.18024	4.6
219.04929	2.8
221.11595	2.8
225.12817	3.5
225.16454	3.7
229.19453	2.1
231.05023	21.8
231.13931	2.7
241.19556	5.3
243.21083	74.3
244.21420	2.9
245.22668	14.5
259.20596	5.7
261.22113	45.6
262.22400	2.6
271.20575	4.8
273.22131	6.1
285.22089	6.8
296.18533	2.7
297.22177	3.7
303.23267	2.7
314.19339	2.5
333.22110	2.2
335.15067	2.2
343.13828	2.2
351.23157	16.1
369.24261	7.4
387.25665	2.5
388.22913	2.9
430.83984	2.2
455.24231	5.5
473.25360	12.6
491.26154	8.9
509.27325	15.9
533.25012	2.6
577.97424	2.3
580.34698	20.7
581.34863	2.4
637.76215	2.0
657.48431	2.2
738.21271	2.2
742.40143	15.2
792.59192	2.3
798.41705	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.9
55.05510	6.0
56.89204	1.9
57.03437	2.9
61.02920	3.8
64.60184	1.7
67.05489	4.4
68.99803	3.5
69.03425	19.5
69.07076	4.6
71.04987	5.3
71.43328	2.8
73.02910	3.7
79.05487	6.9
81.03413	22.3
81.07075	5.4
83.04971	1.7
83.08641	3.3
85.02898	40.2
87.00814	16.2
91.05473	5.5
93.07059	5.1
95.04969	4.9
95.08614	5.4
97.02894	13.8
99.04462	7.9
103.05464	6.1
105.01878	10.5
105.07021	28.8
107.04947	3.6
109.02863	19.6
109.10148	3.1
115.03954	2.0
115.05482	4.9
117.01831	3.2
121.06527	6.6
121.10157	2.1
123.04417	3.6
123.11693	4.8
127.03914	26.7
129.01817	4.3
131.04927	4.5
131.08580	2.4
132.05688	3.6
133.06490	29.3
135.08069	1.9
143.05022	2.3
143.06038	3.1
145.04968	10.1
145.06482	3.5
147.02864	3.1
147.04364	2.2
149.05952	11.1
159.02866	12.5
159.08043	2.5
161.05968	74.8
163.07521	4.7
165.05600	2.1
165.09163	5.8
167.07037	58.6
167.08391	2.3
168.64276	1.7
169.10101	2.0
171.08116	2.7
173.09674	2.8
175.07588	9.0
175.11107	8.8
177.05434	4.3
177.09027	11.6
179.07086	5.0
180.07770	5.3
181.08646	11.1
184.07332	7.0
185.09709	2.0
187.07629	3.2
187.11212	6.5
189.09105	4.5
191.07050	6.7
191.10623	13.8
192.07767	10.5
193.08582	100.0
194.09039	3.2
195.06485	2.2
197.09618	5.6
199.11205	4.3
201.09073	5.4
203.10628	5.0
205.08684	3.0
205.12213	10.0
209.08105	4.5
211.09708	7.7
213.03889	2.5
213.09070	2.1
214.10078	2.3
215.10658	10.7
217.12227	4.1
219.10110	2.4
221.08055	3.1
225.12822	2.2
229.12215	6.8
231.05002	6.5
231.13664	2.5
239.14366	4.0
241.12250	3.2
241.15955	3.9
243.13803	3.6
253.19806	2.0
255.13789	2.8
256.14676	5.8
257.15366	24.7
266.08719	2.5
267.13879	2.3
281.18942	5.5
297.18585	2.5
299.20023	67.3
300.20078	4.0
311.20062	6.4
341.21027	4.2
343.15259	5.8
355.15359	6.6
355.22675	3.7
373.16406	24.3
413.19464	4.4
424.17847	2.1
479.27731	6.6
491.27725	18.4
507.27451	8.8
509.29031	24.5
511.92383	2.1
603.20215	2.3
792.42896	8.9
793.39526	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	792.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.5
55.05499	7.8
57.03422	5.9
59.95307	1.5
61.02905	5.5
67.05497	3.0
68.99770	3.8
69.03421	33.9
69.07059	3.9
69.66628	1.4
71.04968	5.2
73.02894	6.6
79.05481	5.5
80.04966	1.6
81.03402	36.4
81.07037	4.7
83.08612	3.6
85.02892	68.3
87.00818	26.7
91.03949	3.1
91.05463	9.3
93.07015	5.2
93.27313	1.3
95.04974	2.7
95.08601	6.5
97.02875	27.2
97.10183	3.5
98.91167	1.5
99.04436	10.4
103.05443	8.0
105.01849	18.8
105.07016	36.8
107.04970	3.6
107.08606	2.8
108.04449	5.0
109.02868	30.5
109.06508	2.2
109.10126	4.5
115.05401	7.5
117.01852	4.6
117.06971	2.3
119.08552	6.0
121.06491	6.3
123.04430	3.1
123.11683	5.6
123.46188	1.5
126.05505	1.8
127.03893	47.9
129.01840	3.8
129.07043	1.9
131.04913	8.6
131.08540	2.2
132.05704	4.2
133.06474	31.7
133.10065	2.0
135.08037	3.2
137.05957	3.4
140.26973	1.7
143.04927	2.2
143.06024	3.4
145.04947	18.2
145.06497	3.2
145.10080	2.7
147.04367	2.9
147.08043	1.8
147.11670	1.9
149.05957	12.8
155.08611	2.1
157.06483	2.2
157.10089	2.4
159.02879	17.2
159.08012	5.1
159.11661	1.8
160.05164	2.0
160.08862	3.6
161.05959	73.9
161.09581	2.5
163.03859	2.2
163.07527	6.7
165.05290	1.9
165.09100	6.9
166.06184	2.0
167.07014	70.3
171.08034	5.2
173.05948	2.5
173.09624	4.4
175.07526	7.2
175.11122	13.4
177.05475	7.0
177.09058	12.6
179.07027	5.2
180.07751	8.0
181.06534	1.3
181.07036	1.7
181.08537	13.4
183.08028	2.1
185.09637	4.1
187.07512	5.7
187.11153	7.5
189.05533	2.0
189.09068	4.9
191.07027	7.5
191.10596	19.6
192.07745	15.2
193.08577	96.2
197.09579	5.8
199.07512	2.6
199.11150	6.3
201.09140	4.8
201.12697	1.7
203.10648	6.0
205.08641	1.9
205.12154	8.7
207.06551	2.4
209.08025	5.5
211.09546	8.4
213.04002	3.4
213.12701	3.6
215.10660	11.7
217.12202	3.4
219.10172	4.1
221.08105	6.1
225.12666	2.7
227.10506	2.0
229.12251	7.8
231.05040	10.2
231.13745	3.2
239.14252	4.9
241.12199	4.1
241.15724	3.7
243.13693	7.4
244.58006	1.7
248.07692	4.7
255.13933	2.8
256.14600	3.1
257.15320	27.1
258.15698	2.0
266.08679	1.9
271.16776	2.7
281.18906	6.5
283.20523	2.8
297.18561	4.2
299.19995	100.0
300.20340	2.6
311.19943	8.5
341.20950	5.0
343.15381	4.4
355.15341	5.0
355.22495	2.4
373.16449	17.9
385.97940	1.7
395.18414	3.8
413.19391	8.4
459.25262	2.5
477.26413	1.9
479.27945	9.1
491.27948	23.9
492.27884	3.7
507.27490	9.8
509.28995	22.9
599.30127	2.2
706.96820	1.8
792.42120	9.4
793.39929	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.6
57.03185	2.6
57.03427	13.8
57.07070	4.1
61.02922	5.2
62.91009	2.0
63.84723	1.9
65.03943	5.1
67.05504	88.6
67.05867	4.9
69.07062	20.7
69.98677	5.8
71.04980	4.0
79.05489	59.6
79.90684	2.9
81.07051	84.9
83.04968	3.0
83.08616	7.8
85.02907	3.9
91.03957	2.3
91.05479	37.9
93.07042	58.5
93.19469	1.9
95.04957	7.8
95.08601	58.1
97.02861	2.8
97.06544	3.0
97.10168	3.2
105.04518	2.8
105.07019	18.6
107.08576	29.4
109.06516	2.8
109.10136	25.4
117.07006	10.0
119.08566	18.6
121.10149	22.7
123.11712	9.6
129.06950	2.9
131.08554	16.1
133.10118	17.2
135.11696	18.1
145.10115	11.5
147.11687	12.0
149.13261	9.4
157.10161	2.3
159.11710	8.7
161.13263	7.2
163.14812	5.3
171.11702	4.1
173.13254	4.7
175.14821	4.5
185.13243	2.8
187.14798	3.8
188.60951	1.9
243.21109	4.2
259.20535	6.5
261.22137	18.1
271.76126	2.2
317.24689	4.4
333.24347	4.6
335.25766	100.0
336.26276	5.1
337.27377	6.8
521.43866	3.2
595.47113	13.6
613.47803	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	793.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
61.02923	0.7
67.05521	0.9
69.03416	0.7
71.43382	0.7
79.05509	1.1
81.07050	0.9
85.02929	0.8
89.91796	0.5
91.05463	0.7
93.07027	1.0
95.04967	1.1
95.08733	0.6
97.02911	1.1
106.32049	0.7
113.91285	0.5
166.21071	0.6
210.21208	0.5
235.52100	0.6
429.89221	0.5
467.19180	0.8
483.15668	0.6
707.32483	1.2
793.37744	100.0
794.38104	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	793.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
61.02923	0.7
67.05521	0.9
69.03416	0.7
71.43382	0.7
79.05509	1.1
81.07050	0.9
85.02929	0.8
89.91796	0.5
91.05463	0.7
93.07027	1.0
95.04967	1.1
95.08733	0.6
97.02911	1.1
106.32049	0.7
113.91285	0.5
166.21071	0.6
210.21208	0.5
235.52100	0.6
429.89221	0.5
467.19180	0.8
483.15668	0.6
707.32483	1.2
793.37744	100.0
794.38104	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	793.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
61.02910	3.9
61.11485	0.7
67.05495	4.2
69.03423	2.7
69.07072	1.9
71.04996	3.0
73.02906	3.6
76.96275	0.7
79.05486	3.0
81.03416	1.6
81.07047	4.7
83.08620	1.7
85.02904	3.9
91.03961	2.9
91.05485	3.1
93.07045	3.2
95.04988	1.5
95.08588	1.4
97.02889	4.3
97.06535	1.0
97.10147	1.2
99.04430	0.9
101.02400	1.6
101.30289	0.8
105.07035	2.0
107.08604	1.7
111.08064	0.8
123.11697	1.2
125.09641	1.3
127.03910	1.2
127.19877	0.8
133.10121	1.8
135.11665	1.3
149.13344	0.9
151.11203	1.0
159.11696	1.0
178.74582	0.7
202.94186	0.7
243.08408	2.9
257.17221	0.9
267.15784	0.9
291.19553	1.1
331.18848	1.4
335.29932	1.0
485.23569	9.8
549.26794	3.3
589.46814	0.7
793.43250	100.0
794.43573	8.3
807.76807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
61.02929	3.9
62.26442	0.8
63.11594	1.0
67.05501	6.5
69.03434	3.0
69.07056	1.5
71.04996	3.9
73.02921	3.1
78.53896	0.8
79.05505	3.6
81.03429	2.0
81.07052	6.5
83.04961	1.1
83.26947	0.9
85.02913	4.0
85.06534	1.2
91.03957	2.4
91.05466	4.4
93.07039	2.8
95.04978	1.8
95.08612	2.8
97.02910	3.8
101.02393	1.7
105.07047	3.4
107.08584	2.6
109.02881	1.0
109.10172	2.4
119.08653	1.2
127.03957	1.1
133.10165	3.8
133.45638	0.8
151.11169	1.4
159.11690	1.5
243.08508	2.2
267.15887	1.5
313.17694	1.2
331.18927	2.9
485.23438	9.7
531.25958	1.3
549.26819	3.4
695.36279	2.9
773.53735	0.9
775.42236	10.7
776.43115	1.3
793.43292	100.0
794.43671	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	794.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15509	0.7
65.03931	8.4
79.05489	1.7
89.03908	1.9
91.05472	7.3
93.03400	10.9
107.04941	16.0
111.04432	49.6
117.03382	1.3
119.04929	3.2
123.04380	1.1
135.04401	55.2
137.02327	4.3
137.05963	2.4
139.03885	94.8
140.04225	1.7
147.04393	1.0
151.03908	1.1
151.26579	0.6
153.05428	1.2
159.04358	0.9
163.03885	20.9
165.06975	7.4
169.06392	1.2
177.06908	1.5
179.03380	1.9
181.04942	75.0
182.05365	1.6
187.03883	3.1
193.06421	5.7
195.08075	1.7
197.05983	2.1
203.03354	8.6
205.04813	0.9
205.06474	3.0
211.07513	3.0
213.01811	3.2
221.05937	21.8
223.07596	3.9
225.05440	10.0
231.02820	5.3
233.06058	3.3
238.06068	0.9
239.07036	8.3
249.05434	24.3
250.06223	3.2
251.06960	4.1
252.04134	2.8
253.04942	8.5
255.06523	5.1
261.05399	1.7
266.05786	1.1
267.06497	14.5
268.06955	0.9
269.04449	1.4
269.08066	1.0
271.05951	2.3
277.04919	26.4
277.07877	1.6
278.05469	1.7
279.06479	7.5
281.04404	12.5
284.03143	1.1
285.07657	1.4
295.05981	65.2
296.06415	2.3
297.07529	3.2
299.09082	1.1
305.04431	4.8
313.07013	6.6
319.08139	1.6
323.05463	100.0
324.05829	3.8
325.07062	1.3
341.06445	6.7
365.06531	1.8
393.05939	1.3
411.07126	3.3
475.09738	1.1
493.11148	6.9
503.09305	1.0
521.10730	26.2
522.11035	2.1
604.07684	0.9
771.10150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05482	1.5
107.04925	2.2
111.04437	2.2
123.04404	3.7
131.04904	1.8
135.04425	6.7
137.02338	13.3
137.03386	2.1
137.05942	2.4
139.03894	2.0
141.06982	3.3
147.04382	2.6
151.03917	2.8
152.06149	2.5
153.05472	5.2
153.06972	4.9
159.04413	1.5
159.08096	1.7
161.05936	1.6
163.03873	10.8
165.06981	13.7
167.03189	1.7
167.06989	1.9
169.06456	7.9
175.03883	2.7
177.05441	2.0
179.03502	1.7
181.04932	5.8
181.06454	6.8
183.08057	1.9
185.05937	2.2
187.03889	2.7
187.07449	2.4
191.07028	3.9
193.06473	11.6
194.93248	1.5
195.04306	1.8
195.08134	1.8
197.04375	6.9
197.05977	17.8
198.06572	1.6
199.07506	2.8
203.03232	1.5
205.06526	6.9
207.04453	3.8
209.04349	20.2
209.07872	2.5
210.06706	2.1
211.07518	5.3
213.01787	5.4
213.05402	2.8
214.06305	2.0
215.06981	13.7
217.08643	1.6
221.05954	44.0
222.06334	1.4
223.07526	17.0
224.04671	2.7
225.05443	47.1
226.06157	3.9
227.07031	8.1
229.04807	1.6
229.06949	2.4
233.05904	4.8
235.03886	3.7
237.05498	8.6
239.06970	14.2
243.06519	17.1
249.05434	47.3
250.06133	4.6
251.06961	10.9
252.04129	1.7
253.04958	25.5
254.05482	2.6
255.06535	10.3
257.04456	1.7
257.07941	2.5
259.03809	1.8
265.04849	6.4
266.05753	2.4
267.06500	23.4
269.04669	2.1
269.08151	5.6
271.05978	42.6
272.06509	1.6
277.04932	25.6
278.05646	3.8
279.06436	3.7
281.04459	16.4
282.04703	1.9
283.05960	3.0
284.06635	1.8
285.07458	10.4
289.06839	1.9
294.05365	1.6
295.05984	100.0
296.06412	3.1
297.04169	2.7
297.07541	7.0
299.05453	18.6
303.08472	1.8
308.63065	1.4
313.07022	18.1
315.08475	3.3
317.06528	2.8
321.03976	4.1
323.05475	41.2
331.08151	11.6
341.06531	17.2
342.07089	1.5
343.08240	1.9
345.05899	2.7
345.09668	3.5
357.05695	1.4
359.07541	34.1
360.07635	1.5
369.06137	2.5
373.09106	9.9
377.08316	2.5
387.07016	10.6
391.10022	5.1
405.08093	42.0
419.09692	15.0
423.08997	2.2
429.10577	1.5
551.11877	1.8
625.13910	2.2
635.11578	3.0
637.13617	3.4
653.12476	5.8
655.13916	1.6
663.10767	3.9
681.12421	9.2
683.13580	10.8
699.12903	1.9
713.14868	4.7
727.12207	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	794.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66684	0.4
65.03946	2.6
65.35979	0.4
65.67301	0.4
69.70566	0.5
69.70913	1.8
70.59869	0.4
79.05459	0.8
89.10774	0.4
91.05412	1.4
93.03394	3.4
98.23434	0.4
107.01281	0.4
107.04949	4.5
111.04443	14.3
118.84118	0.4
119.04885	1.2
124.92390	0.4
135.04411	12.0
137.02289	0.5
139.03900	23.9
147.04393	0.5
163.03903	3.9
165.06915	0.5
169.04915	0.6
177.06950	1.1
179.08560	0.6
181.04956	13.5
181.06438	0.6
189.06905	1.1
195.07944	1.0
197.05917	0.7
205.06464	5.5
207.08064	1.0
217.06506	1.0
221.05919	1.0
223.07590	3.0
233.05960	7.6
234.06580	0.9
235.07474	2.3
237.05490	0.6
239.07005	0.7
245.05949	0.5
249.05339	1.4
251.07050	10.2
253.04974	0.7
253.08511	0.8
261.05496	6.0
262.06036	0.8
263.07013	5.4
265.04980	0.6
267.06613	0.8
277.04916	0.8
279.06500	24.7
280.06851	1.2
281.04526	0.5
281.07904	0.9
283.05820	0.6
289.05020	3.0
291.06491	5.3
292.07437	0.5
295.05997	3.6
307.05984	26.4
308.06424	1.2
309.07645	2.1
311.05399	1.0
317.04401	1.7
319.06000	3.2
323.05511	3.2
325.07416	0.5
335.05475	62.4
336.05869	2.8
337.07016	1.0
353.06461	8.4
363.04941	14.4
381.06030	100.0
382.06378	3.6
399.07214	3.1
405.07925	0.9
469.08322	0.4
521.10864	2.0
561.10443	0.7
748.55573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15119	0.8
65.03937	4.1
67.05508	1.5
69.03426	1.9
69.17524	4.3
71.88218	0.8
74.66751	0.7
75.04465	2.3
77.03923	1.2
78.04714	1.9
79.05477	2.6
81.03406	2.2
82.04171	0.8
85.02900	5.1
89.03895	1.5
89.87453	0.8
91.05470	7.3
93.03399	6.5
93.07037	5.0
93.50838	0.8
94.04167	1.0
95.04979	6.2
97.02860	1.2
97.06531	1.7
98.22750	1.3
103.05462	17.0
105.03420	1.3
105.04518	1.6
105.07036	4.5
106.04159	13.0
107.04984	4.6
108.02033	1.0
109.06467	1.1
110.03674	0.9
111.04420	2.2
115.05433	3.5
117.03378	1.4
117.06977	2.9
118.04134	3.3
119.04953	1.5
121.06491	17.6
122.03640	3.1
123.04444	2.7
124.05218	1.0
125.05964	7.2
127.03854	1.5
129.07082	1.2
131.04915	26.4
131.72939	0.9
132.05730	1.2
133.02846	1.6
133.06461	4.2
134.03618	3.2
135.04413	2.8
135.08025	1.6
137.05968	45.1
139.03879	1.9
139.07509	2.0
141.05453	0.9
143.04950	1.3
144.05649	1.2
145.02818	2.7
145.06482	3.4
147.04407	1.5
147.07993	1.0
148.05157	8.4
149.05968	29.3
150.06384	0.9
151.03899	51.6
151.04988	4.0
151.07501	2.3
152.04509	1.1
153.05486	4.5
153.09073	7.7
157.06435	1.0
160.05185	1.5
161.05937	3.8
163.03893	6.1
163.07536	17.6
165.05489	2.2
166.06352	0.9
167.07024	16.9
173.05994	3.5
175.07527	5.2
176.04651	2.2
177.05449	24.4
179.06972	2.4
181.04962	24.0
181.08548	15.9
187.07527	2.0
189.09062	1.6
190.06223	1.3
191.07014	70.9
192.07414	2.1
193.04919	1.0
193.08632	3.2
195.06506	3.0
203.07007	2.6
205.08566	3.9
207.06531	1.8
207.10017	1.0
209.08067	100.0
210.08456	2.5
214.11609	0.9
217.08633	1.5
219.10226	1.3
221.07991	1.4
226.45929	1.0
231.06549	1.4
233.08076	2.7
235.09573	3.4
237.09036	1.3
245.08119	1.0
263.09125	15.4
265.08594	1.3
267.10086	0.9
277.08484	1.0
297.11118	1.4
325.10699	1.5
327.12286	1.9
329.13809	1.7
332.94125	0.8
337.10574	1.2
339.61752	0.9
355.11774	5.1
357.13242	2.1
359.14734	1.1
369.13260	3.2
385.12811	1.4
387.14337	24.9
388.14572	2.2
417.15372	5.2
545.69934	0.9
547.19623	0.8
555.49237	0.8
562.50897	0.8
563.27069	0.8
579.21564	1.1
727.14307	1.0
746.19269	0.9
746.98645	0.9
759.22369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89892	0.7
62.24997	0.8
65.03941	3.8
67.05489	1.1
69.03428	1.1
71.42043	1.0
78.04729	0.9
79.05484	3.6
81.03412	2.1
82.04170	1.4
85.02902	4.6
89.03905	1.6
91.05470	6.3
93.03394	1.5
95.04955	4.3
97.06515	1.3
102.04689	0.8
103.05463	16.0
105.03403	1.9
105.07000	6.2
107.04936	6.6
109.06435	1.0
110.03625	1.5
111.04391	1.3
115.05439	5.8
117.07047	4.1
118.03445	0.9
118.04142	4.7
119.04936	5.1
120.48936	0.7
121.02886	0.8
121.06497	2.6
122.03650	1.3
123.04391	4.1
124.05213	1.3
125.05980	3.4
129.06985	1.7
130.04111	0.9
131.04913	19.4
131.08562	0.9
133.02818	5.2
133.06488	7.1
134.03650	1.1
135.04381	1.3
135.08069	1.5
137.05969	8.3
138.03096	1.1
143.04936	1.4
144.05678	2.2
145.06470	6.1
147.04422	4.7
147.08046	3.1
148.05161	9.8
149.05959	1.7
151.03877	4.1
151.07550	1.8
152.04631	2.5
153.05458	5.4
155.05975	1.8
157.06476	1.7
159.04416	0.9
159.08015	1.6
160.05295	1.4
161.05959	10.1
162.06760	1.1
163.03918	3.6
163.07523	22.1
165.05447	3.0
165.09047	0.8
167.07022	57.7
168.07341	1.2
171.06465	4.9
171.07755	0.8
173.05959	7.9
174.06564	1.0
175.03853	1.0
175.07487	4.5
176.04671	3.0
177.05431	2.2
179.06995	5.1
181.04936	81.5
182.05426	1.1
187.07504	4.3
189.05388	0.9
189.09116	1.1
190.06245	1.8
191.07008	100.0
192.07407	2.4
193.04956	1.1
193.08583	3.6
195.06497	4.7
200.29129	0.8
201.05418	1.4
203.07019	5.0
205.08563	6.0
207.06470	2.2
207.10165	2.9
209.08035	2.9
217.08528	5.1
219.08180	1.7
219.10112	7.7
221.07927	1.6
225.07535	2.2
229.08713	1.1
231.06458	1.1
233.08031	6.9
234.27090	0.8
235.07536	1.6
235.09587	7.7
237.09135	1.1
245.07994	3.0
249.08995	1.0
263.09143	36.5
264.07718	1.0
265.08551	1.2
267.10074	4.8
269.11777	1.0
279.06436	1.0
279.09998	1.1
293.07944	1.1
295.09549	1.6
297.11133	2.5
307.09665	2.2
325.10754	4.1
327.12589	1.3
329.10428	1.1
331.11832	1.0
336.02020	0.8
337.10623	1.5
339.12271	1.8
348.20532	0.8
355.11691	1.7
357.13214	8.2
359.14838	1.0
365.13757	0.9
367.11591	2.0
369.13254	2.3
371.14746	1.5
385.12762	15.2
387.14413	1.9
399.14456	4.4
417.15387	33.7
418.16101	2.1
423.49802	1.1
547.19189	1.0
625.40131	0.9
687.39575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.3
61.02925	5.7
65.30675	0.4
67.05500	4.3
69.03426	3.4
69.07081	2.2
71.01350	0.7
71.04992	1.5
71.64988	0.4
73.02913	3.8
73.82954	0.4
79.05486	4.2
81.03418	4.3
81.07039	4.5
83.04975	5.3
83.08636	1.1
85.02901	12.1
85.03410	0.6
89.78435	0.5
91.03934	3.4
91.05479	3.3
93.07025	3.3
95.04950	2.4
95.08628	1.6
97.02880	3.6
97.06508	2.3
98.22608	1.0
99.04466	1.2
101.02374	2.4
105.07009	2.5
107.05016	0.7
107.08626	1.4
109.02906	0.7
109.06544	0.6
109.08291	0.5
109.10183	1.0
111.04461	2.6
117.07047	0.7
119.08620	1.6
121.10179	0.7
123.08047	0.5
127.03909	2.1
129.05518	1.6
129.06985	0.8
131.08609	1.2
132.67744	0.5
133.06503	0.6
133.10182	1.3
145.02904	1.1
147.11711	1.1
151.73662	0.5
157.10196	1.1
163.11163	0.8
171.06523	6.4
175.11220	0.7
177.05531	1.6
193.12349	1.2
203.05331	0.5
236.02644	0.4
243.08424	3.1
251.12576	0.8
253.73329	0.4
312.46884	0.4
349.19815	4.5
398.05234	0.5
439.19730	0.8
453.21323	0.6
467.19113	2.5
469.20413	6.1
537.20789	0.5
567.27789	3.1
569.29327	1.7
681.35217	0.6
769.99353	0.6
795.41296	100.0
796.41541	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	795.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
59.02233	0.9
61.02922	5.4
66.25331	1.0
67.05502	2.9
67.42899	1.0
69.03431	3.0
69.07072	1.5
69.26936	5.6
73.02912	3.1
79.05487	3.5
80.08894	1.0
81.03426	2.7
81.07062	3.7
85.02895	7.8
91.03972	2.5
91.05483	3.1
93.07048	3.2
95.04985	1.6
95.08612	2.1
97.02898	5.4
97.06560	1.1
98.23425	1.9
99.04422	1.1
101.02387	1.9
105.07043	2.4
107.08637	1.5
112.79680	0.9
119.08612	1.4
121.10133	1.5
127.03947	1.4
129.05473	1.2
133.10043	0.9
135.11684	1.4
149.02362	1.8
185.04324	3.0
193.12280	1.2
200.20142	1.2
241.06793	1.2
243.08459	4.0
251.12544	2.2
301.08917	7.1
315.10574	2.7
333.20251	1.4
349.16287	1.3
371.16763	1.5
373.11029	2.5
385.18420	3.6
387.12775	1.2
413.18076	1.2
429.17307	1.3
433.25781	1.6
439.19092	1.3
443.18793	3.0
453.21664	1.2
469.20300	5.4
481.20291	2.2
485.19601	1.2
511.21747	2.2
528.22302	1.6
541.22650	4.2
551.28455	1.7
583.31726	1.2
612.31342	1.1
622.33423	1.9
623.34241	4.9
641.31549	1.8
697.33856	1.6
709.33881	10.4
749.40942	9.1
777.41089	4.7
795.40747	100.0
796.41248	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	795.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.1
67.05502	1.3
71.25856	0.7
81.07071	1.0
85.02920	0.7
86.09721	2.0
87.04485	1.3
92.76882	0.7
93.07044	1.2
98.22672	1.6
105.07006	1.0
109.10196	0.9
112.15242	0.7
125.00015	1.3
137.84204	0.7
158.68268	1.1
182.58052	0.7
184.07312	4.1
228.87198	1.0
295.55396	0.7
317.21780	0.8
517.20398	0.9
519.29413	1.3
535.26196	0.9
691.40295	12.2
692.40436	1.0
795.42792	100.0
796.43188	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	795.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.5
61.02914	5.4
64.13319	0.4
67.05505	4.4
69.03430	3.4
69.07064	1.9
70.06580	1.5
71.04982	3.8
73.02908	3.4
79.05505	3.9
80.50774	0.5
81.03414	2.1
81.07047	6.3
83.04979	0.9
83.75148	0.5
85.02902	5.1
85.06570	0.6
90.06890	0.4
91.03937	2.4
91.05464	4.0
91.05941	0.5
93.07022	3.0
95.04993	1.0
95.08644	1.8
97.02882	4.2
97.06519	1.3
98.23471	1.4
99.04459	1.4
101.02396	1.7
105.04549	0.9
105.06986	2.8
107.08608	2.3
109.02863	1.1
109.10157	1.1
117.07044	1.0
119.08607	0.6
121.10146	0.5
123.11713	1.4
127.03950	1.4
129.05470	0.6
131.08606	1.1
133.10104	2.8
135.11696	0.7
147.11734	0.4
148.65071	0.5
149.13269	1.0
151.11223	1.2
159.11748	1.0
185.04184	0.5
243.08484	3.5
257.17484	0.7
262.82831	0.5
267.15793	1.5
279.18686	0.5
333.20392	1.7
439.19446	0.9
453.21115	1.7
485.23541	9.1
551.28131	5.1
795.44879	100.0
796.45154	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	795.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53120	0.5
57.03441	1.6
59.05017	0.9
59.96534	0.5
61.02919	5.4
61.64405	0.4
67.05508	4.4
69.03434	3.2
69.07075	2.2
69.85910	1.1
71.05003	2.0
73.02909	4.0
79.05473	3.7
81.03424	3.1
81.07050	4.6
81.52914	0.5
83.08612	0.8
85.02904	5.8
85.06587	0.7
87.04507	0.7
91.03951	3.2
91.05482	4.6
93.07032	3.8
94.76624	0.6
95.04989	1.7
95.08627	2.5
97.02898	3.4
97.06544	1.0
98.23357	0.7
99.04488	0.8
101.02390	2.1
104.99284	1.2
105.07014	3.1
107.08586	2.8
109.02912	1.0
109.10182	1.2
117.07035	1.1
119.08553	2.6
121.10169	1.7
127.03934	1.6
129.07025	0.7
131.08611	1.6
133.10156	2.4
134.01221	0.6
135.11723	1.4
145.05002	0.6
145.10170	0.9
147.11739	1.6
149.09662	1.3
151.11288	0.9
159.11748	0.9
175.11124	1.0
193.12325	0.8
201.03641	0.7
243.08334	3.6
267.15845	1.2
283.15115	3.0
301.09091	1.8
315.10574	1.0
316.95975	0.5
432.73773	0.6
465.21341	1.0
485.23694	2.7
501.22995	11.5
501.29578	0.9
517.21838	0.6
535.28729	5.4
551.28510	1.8
573.25464	1.8
709.32007	1.0
751.40686	1.2
795.44977	100.0
796.45331	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	796.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	8.3
65.40924	1.3
69.47805	2.6
69.48203	2.6
79.05510	2.8
86.06661	1.2
89.03889	2.2
91.05477	9.4
92.55994	1.2
93.03384	7.3
95.04961	4.0
98.65658	1.0
103.05505	1.2
107.04945	10.8
109.06512	1.1
111.03672	2.0
111.04436	35.4
117.03320	1.7
117.07050	1.4
119.04941	4.0
121.02824	1.9
121.06501	3.8
121.47622	1.5
123.04422	14.9
126.03154	4.0
133.02841	1.2
135.04404	39.9
137.02370	7.1
137.05949	6.4
139.03891	80.9
141.05524	2.6
141.06990	1.4
145.06496	1.7
147.04318	2.4
148.51952	1.1
150.03156	7.0
151.03883	3.9
152.04643	7.8
153.05429	4.6
159.04437	1.3
163.03905	19.3
165.05472	15.6
165.06998	7.4
167.07031	14.7
169.04959	39.8
169.06398	2.8
173.06012	3.5
176.04709	2.3
177.01797	1.7
178.02599	13.3
181.04944	53.8
182.05215	1.8
183.06537	7.4
187.03915	3.3
189.05392	2.3
191.07065	5.5
193.04939	24.1
193.06511	5.5
197.05959	4.6
203.03368	9.0
205.06552	2.8
209.04498	3.2
211.05981	65.6
213.01814	3.2
221.05949	30.4
223.07516	4.8
225.05461	13.9
229.07169	1.8
231.02788	7.4
233.05974	3.3
237.05444	1.5
237.07761	1.1
239.07002	9.7
240.07623	1.7
249.05461	31.1
249.07939	2.2
250.06178	3.6
251.07005	5.3
252.04405	2.1
253.04974	12.8
255.06479	9.5
256.07239	1.5
259.03894	1.9
261.05405	1.7
266.05688	1.8
267.06509	17.7
269.04480	1.9
269.08133	1.3
271.06000	24.8
277.04959	31.2
278.05493	3.4
279.06662	7.5
281.04465	10.2
284.03113	1.9
294.05200	1.4
295.05994	73.3
296.06335	4.4
297.04538	1.4
297.07468	8.5
299.09082	1.8
305.04367	7.1
313.06784	5.8
321.07571	1.3
323.05466	100.0
324.05884	6.0
325.07101	4.2
335.05359	2.1
337.06876	1.3
340.59775	1.5
341.06470	9.6
342.78223	1.8
349.07175	1.6
365.06519	6.4
393.05890	2.9
409.05505	1.5
411.07132	3.4
475.09729	1.5
478.73499	1.5
489.08017	1.3
493.11075	4.2
503.09845	1.5
505.11331	1.6
521.10687	24.0
522.11237	2.6
523.12402	1.9
531.09247	2.1
549.09125	1.3
551.11560	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	796.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.4
61.02911	7.6
67.05500	5.2
68.99792	6.7
69.03423	47.1
69.69797	6.6
71.01357	3.8
71.04982	5.2
73.02904	8.0
79.05507	2.4
81.02668	1.9
81.03415	46.0
83.01340	2.2
83.04978	9.6
85.02900	100.0
87.00824	42.6
87.01326	3.5
95.04967	8.7
97.02885	45.1
98.22676	2.1
99.04454	16.1
100.92443	1.7
101.02348	3.3
103.03934	7.4
105.01852	29.6
107.04958	1.7
109.02874	63.1
111.04428	9.4
115.03952	2.1
115.09306	1.8
117.01867	2.6
123.04451	10.4
125.02348	6.8
127.03905	99.6
127.26110	1.9
129.01826	5.2
139.03842	5.4
140.66522	1.8
145.04921	15.2
147.02867	3.3
149.02258	2.2
151.03888	9.8
159.02905	9.3
163.04018	2.3
165.05495	4.2
169.04944	13.8
171.02870	5.8
175.03905	3.4
181.04927	6.0
187.05959	8.9
189.03966	17.5
193.04967	7.2
195.02925	3.7
202.07755	4.3
203.08551	3.6
204.09280	23.2
205.09866	2.0
206.07307	3.1
213.03957	15.9
219.11646	36.8
224.08253	6.3
228.09299	3.0
229.09941	3.9
230.21587	2.4
231.05069	20.7
232.08833	14.7
233.06467	2.9
235.05910	3.2
235.11157	4.3
237.08980	2.6
237.12572	2.7
243.11656	2.5
246.10300	3.6
247.11165	71.8
248.11330	3.5
249.06035	5.2
253.07068	2.7
255.04942	3.4
261.12775	3.1
264.11380	2.2
265.12228	72.5
266.12567	3.5
271.10995	5.0
273.06033	43.7
277.12329	4.8
283.13269	73.1
284.13593	2.4
289.12167	8.6
295.13391	4.2
297.05939	3.3
307.13315	6.6
313.12112	2.3
315.07031	5.9
325.14328	14.5
331.13199	2.7
339.07043	7.2
349.14456	4.9
355.13217	2.8
357.08087	6.2
373.14261	7.7
391.15350	5.8
411.17355	2.5
443.08246	4.5
461.09222	7.4
477.15417	3.6
495.16290	5.7
540.00745	2.8
753.35455	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05851	0.2
57.03430	1.8
59.04996	0.2
61.02911	0.6
65.03926	0.6
66.59727	0.1
67.05499	2.7
69.03416	0.5
69.12082	0.1
71.01363	0.2
71.04983	0.2
81.03416	0.4
83.04970	47.1
84.05299	0.5
85.02892	100.0
86.03226	0.8
87.04455	1.1
89.03905	1.0
97.02891	0.4
99.04435	0.3
101.06010	0.4
109.02864	1.5
111.04427	25.9
112.04761	0.3
114.03800	0.1
114.07124	0.2
117.03362	2.6
117.05466	0.2
119.04884	0.2
119.76345	0.1
127.02924	0.3
127.03891	5.4
129.05460	12.7
135.04427	0.2
145.02824	8.6
145.31334	0.1
149.05928	0.9
151.07550	0.6
153.05499	0.6
171.06497	85.7
172.06868	1.3
177.05443	22.4
178.05775	0.6
179.06998	0.3
186.05417	0.3
187.06015	0.2
231.08575	5.1
241.08562	0.3
259.09650	0.9
277.10675	0.6
285.07471	0.2
287.09125	0.2
299.59067	0.1
303.08459	0.2
319.11835	0.2
321.09561	0.3
381.11734	5.3
382.12045	0.2
407.12927	0.4
473.29446	0.1
531.18073	0.2
551.17383	0.2
611.19592	1.7
618.00897	0.2
796.41650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.7
69.03421	0.7
71.05429	0.7
79.05507	0.5
85.65176	0.5
105.07018	0.7
127.00061	0.8
167.03177	1.2
181.09998	0.6
185.04214	1.5
188.51865	0.5
207.21080	0.6
217.04691	1.2
227.05307	2.3
232.07018	9.8
232.09210	0.5
233.07756	2.5
271.04160	3.3
288.61832	0.6
291.77646	0.7
321.18213	2.1
339.19257	12.9
339.23105	1.0
340.19574	1.1
395.13116	1.8
406.12500	0.9
409.98843	0.6
410.04266	0.5
437.14182	7.3
481.12982	2.8
549.28223	1.5
597.30280	1.1
663.06171	0.6
707.39600	2.4
711.33325	1.5
753.34460	10.9
754.34625	0.9
779.31293	1.1
797.33032	100.0
798.33423	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	798.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.8
61.02911	4.2
67.05499	3.4
68.99796	5.7
69.03426	46.2
71.01338	3.4
71.04987	6.1
73.02903	6.1
79.05519	1.0
81.03410	41.9
83.01337	1.3
83.04974	7.7
85.02901	75.3
87.00280	1.7
87.00821	36.3
93.96772	1.1
95.04977	4.8
97.02885	34.4
98.22724	3.0
99.04456	15.0
101.02383	3.0
103.03936	5.9
105.01858	30.4
107.02354	1.0
107.04941	2.2
109.02872	50.4
111.04447	5.2
113.02367	1.8
115.03916	2.6
117.01845	2.7
119.04965	1.1
123.04420	7.7
125.02345	4.0
127.03909	82.8
129.01830	4.4
129.05479	4.1
134.52963	1.3
137.02353	1.4
139.03870	1.9
141.05478	1.5
145.04939	14.5
145.28627	1.1
147.02914	2.4
147.06520	1.6
151.03917	6.9
159.02884	10.1
163.03961	1.2
165.05504	3.3
165.06850	1.0
169.04964	8.6
171.02870	3.3
178.07785	1.5
179.08539	4.8
180.09389	1.2
181.04903	1.7
187.06000	6.8
189.03940	14.2
189.05481	2.2
190.07779	1.2
191.08565	4.0
192.09293	3.3
193.04939	5.8
193.10030	6.1
195.02963	1.2
202.07765	1.9
203.08546	2.2
204.09297	5.4
205.09953	1.8
206.07253	1.0
206.10811	6.8
207.08029	5.5
207.11681	2.2
208.08810	11.7
209.09593	3.5
211.05946	1.7
211.14812	1.8
213.03908	13.0
215.05580	1.5
215.08565	2.9
216.09331	8.0
217.05016	2.2
217.09991	1.2
219.08023	4.7
219.11655	10.0
220.08792	2.3
221.09669	9.9
221.13231	13.6
224.08264	2.1
225.09128	1.9
226.09874	2.7
228.09363	1.3
229.10086	1.8
230.11023	1.3
231.04974	19.9
231.11696	4.8
232.08800	4.2
233.06543	5.7
233.09064	1.2
234.10373	8.8
235.05968	2.9
235.11061	1.7
237.09097	1.8
237.12746	1.7
238.09926	2.4
239.10617	12.6
239.14281	3.1
244.97098	1.3
247.11140	18.9
249.06079	5.1
249.12732	41.3
250.13162	2.8
252.11389	3.0
253.07051	2.8
255.05043	1.8
261.12711	1.4
265.12228	24.9
267.13770	75.8
268.14072	4.1
269.06436	1.4
271.13229	1.8
273.06015	35.6
273.12643	1.5
279.13788	4.1
283.13217	12.1
285.14825	100.0
286.15125	3.5
289.12021	1.8
291.13745	5.1
297.06061	2.4
307.13437	2.4
309.14822	9.0
315.07068	4.2
321.05902	1.5
321.14789	2.0
327.15945	5.0
333.14569	1.1
339.07025	3.9
351.15524	1.6
357.08173	4.0
357.14838	1.2
375.09073	1.2
375.15955	2.1
443.08139	3.7
454.95905	1.2
461.09320	5.5
479.16953	3.3
497.17850	5.2
515.19147	5.4
533.20093	9.0
568.83490	1.2
575.20795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68111	0.1
65.03934	0.1
68.99784	0.3
69.40452	0.2
69.40858	0.3
81.03407	0.2
93.84650	0.1
109.02890	0.1
111.04453	0.1
115.05421	0.1
121.02818	0.2
129.07018	0.1
137.02338	1.8
141.07005	0.1
143.04900	0.2
147.04407	0.3
149.02351	0.4
152.99818	0.1
157.06494	0.3
161.05959	0.3
163.03900	0.3
163.97185	0.1
165.01855	0.2
171.04445	0.2
175.03949	0.2
177.01889	0.1
185.05995	0.6
189.05421	0.3
213.05414	1.6
213.07294	0.1
216.04152	0.2
217.04990	0.1
231.06288	0.6
241.04863	0.8
242.05632	0.2
259.06003	0.2
269.04388	0.4
287.05463	100.0
288.05792	3.5
288.08966	0.2
329.06558	0.2
491.11798	2.9
491.18884	0.1
492.12350	0.2
595.14447	6.4
596.14594	0.5
728.59094	0.1
742.57056	0.1
742.99921	0.1
799.20508	0.2
801.70160	0.1
824.13641	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	800.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
59.80138	0.9
61.02913	2.0
65.03922	0.8
67.05504	1.0
69.03424	9.8
73.02898	2.6
77.57182	0.8
78.28757	1.0
79.05508	1.7
81.03402	8.0
85.02898	10.6
87.00817	1.6
91.05460	2.1
91.12989	0.8
93.05794	1.6
93.07034	4.2
94.04935	0.8
94.06571	7.3
95.07341	1.8
95.08592	1.3
96.08112	7.2
96.77268	0.8
97.02876	5.5
98.22664	2.6
99.04462	2.9
105.07070	1.2
106.06538	2.4
107.07321	3.5
108.04480	2.1
108.08105	17.0
109.02873	4.7
110.06073	1.0
110.09665	9.2
118.06535	2.6
120.04444	11.3
120.05250	1.2
120.08093	12.8
121.10228	0.9
122.06033	16.8
122.06857	1.8
122.09652	9.6
123.06738	1.0
124.07603	2.3
127.03903	5.4
131.07303	1.0
132.08104	1.3
134.09647	2.0
136.07564	24.0
138.05475	2.0
138.09125	15.7
145.04982	1.7
146.05992	12.3
148.07562	13.3
150.05511	1.3
150.09116	15.5
150.10229	1.3
152.07069	3.2
164.07060	2.7
166.08626	42.1
170.05991	1.8
172.03922	3.5
172.07564	2.3
174.05420	1.3
176.07030	1.7
176.10706	1.3
178.05019	0.9
180.10178	2.3
182.08264	1.0
184.07535	1.6
184.09865	1.3
186.05502	3.8
188.07063	4.0
190.05019	7.8
190.08678	1.0
194.08147	4.2
197.10712	1.4
198.05472	2.1
198.11458	1.0
199.12285	1.0
204.06558	5.2
206.08119	1.2
207.09033	1.3
208.09749	1.5
209.10725	3.5
210.11328	1.0
211.08585	1.5
211.12329	1.8
212.09457	3.0
213.10188	1.8
216.06520	1.6
218.08162	2.4
222.07860	1.0
222.11406	1.2
223.08675	2.5
223.12299	3.3
224.09450	3.2
225.10228	9.0
226.11000	2.1
227.11731	4.7
232.06004	5.8
233.10710	3.3
234.11372	1.5
235.08710	6.1
235.12338	2.4
236.09412	5.2
237.10217	22.3
238.10829	5.1
239.08115	3.4
239.11674	9.9
240.12448	1.0
241.09727	2.0
245.12889	2.0
248.09396	5.1
249.10194	19.4
250.07138	1.0
250.10979	8.6
251.08110	6.4
251.11755	19.2
252.08902	2.1
252.12531	3.7
253.09698	14.1
253.12543	1.2
253.13422	1.2
254.10349	1.4
255.11272	7.7
258.07629	1.9
261.10205	12.9
262.11038	4.2
263.08322	2.8
263.11734	18.2
264.08942	2.1
264.12329	1.5
265.09729	31.1
265.13156	2.7
266.10339	4.5
267.11255	17.5
268.12024	1.7
269.09210	1.8
269.12866	1.8
271.10739	3.3
273.12396	5.5
275.08160	1.2
275.11765	3.8
276.08850	1.9
277.09741	9.5
277.12891	1.8
278.10471	13.2
279.07721	6.3
279.11197	36.1
280.08881	1.6
280.11966	7.0
281.09241	6.2
281.12802	5.7
282.10040	3.1
282.13538	1.4
283.10785	14.7
284.11411	1.8
285.12338	2.0
287.05493	2.0
287.13821	1.7
288.05972	1.1
289.09671	31.2
290.10352	3.9
291.11282	11.9
292.08432	1.4
292.11935	1.5
293.09201	13.1
293.12802	11.9
294.09882	6.9
294.13153	2.0
295.10788	12.2
295.14127	1.2
296.11511	6.9
297.09091	1.4
297.12302	8.7
299.10275	2.6
303.11118	2.6
305.09161	6.1
305.12875	4.2
306.09912	3.3
306.13229	1.0
307.10727	11.3
308.11499	3.0
309.08871	1.4
309.12271	10.5
310.13043	1.5
311.10217	11.7
311.13876	5.0
312.10886	8.4
313.11795	4.6
314.12518	3.2
315.13394	2.6
317.09207	6.9
319.10748	2.3
321.08807	1.5
321.12308	3.6
323.10202	3.3
323.13928	7.6
324.11032	5.9
325.11774	10.3
326.12491	5.7
327.13309	14.9
328.14215	1.8
331.10605	1.5
333.12296	1.9
335.10229	42.3
336.10663	2.9
337.11737	6.0
339.10364	4.0
339.13370	100.0
340.10431	7.4
340.13940	5.3
341.11221	6.7
341.15036	3.0
342.16101	2.1
343.13019	1.5
347.36221	0.9
349.11847	5.8
351.13348	1.9
352.10495	2.3
353.11285	52.3
354.11954	10.4
355.12848	25.5
356.13440	2.1
358.15216	2.1
365.11288	3.2
366.11887	3.2
367.12842	64.9
368.13290	3.9
370.15390	2.3
372.17044	1.5
377.11182	3.6
381.14343	1.2
384.12903	19.3
384.17575	1.9
386.14606	1.3
399.15631	1.7
400.16409	1.5
414.18204	1.1
418.17456	1.9
432.19101	2.7
442.17627	3.3
444.19122	3.3
446.16724	1.4
460.18719	8.0
462.20178	1.6
464.18210	1.1
470.16968	2.4
472.18549	4.5
474.20380	2.3
478.19644	1.4
479.20044	1.7
488.18134	76.3
489.18713	4.7
489.24896	1.1
492.21310	1.9
502.19534	3.8
506.19208	65.0
507.19241	3.2
512.18164	2.3
520.20673	19.2
530.19220	31.1
531.19507	3.5
534.18658	33.2
535.19031	1.5
614.20923	2.1
650.22729	1.5
674.22589	1.2
682.25555	2.6
692.23981	3.8
701.33722	1.1
708.23853	1.2
718.22424	2.2
724.15332	1.0
724.26160	4.6
736.11353	1.6
736.23315	19.4
737.22510	1.2
740.26697	1.9
768.25995	70.0
769.26471	5.3
800.27655	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	9.6
61.02919	7.3
67.05509	3.9
68.99781	4.4
69.03426	51.4
69.07075	2.4
71.01351	3.4
71.04984	4.5
71.19586	1.0
71.43050	0.9
73.02909	7.9
79.05479	1.2
81.03411	48.2
83.01328	2.9
83.04988	7.9
85.02901	100.0
86.03232	1.6
87.00825	43.6
87.04458	1.4
91.03989	1.5
91.05474	1.4
95.04941	5.1
95.59470	1.0
97.02883	41.9
99.04453	16.7
101.02390	2.8
103.03947	6.5
105.01862	38.5
107.04933	1.7
109.02873	65.8
109.95685	1.0
111.04437	9.4
113.02374	1.8
115.03915	1.6
117.01857	3.5
119.04902	1.4
121.02832	1.5
123.04428	8.9
125.02369	4.4
127.03908	96.6
129.01819	5.8
129.05498	1.3
133.06480	2.4
135.04387	1.9
137.05954	2.1
139.03879	3.8
140.45950	1.1
141.05429	1.4
145.04958	23.9
147.02875	3.2
147.04407	2.3
147.06548	2.7
149.09602	17.2
151.03922	7.0
154.12651	1.1
157.32027	1.1
159.02887	11.2
163.11168	3.3
165.05493	2.7
167.03323	1.5
169.04942	13.4
171.02863	4.0
175.03979	2.2
181.04939	1.4
184.40184	1.1
187.06062	8.4
189.03934	17.3
189.05486	1.4
193.04921	10.0
211.05962	2.1
213.03932	19.0
217.05141	1.4
229.07141	1.5
231.04996	32.6
233.06514	2.7
235.06017	5.2
249.06058	10.5
253.07080	3.6
255.04948	3.8
273.06036	61.1
287.23660	3.3
291.07141	2.8
297.05960	3.9
315.07095	7.7
321.06155	2.2
333.08063	3.0
336.33710	1.2
339.07056	9.4
357.08105	8.8
374.73157	1.2
425.06683	1.6
443.08322	7.8
461.09091	10.2
479.10428	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	800.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	27.0
57.07060	2.1
59.05000	3.6
60.08160	6.4
61.02919	10.4
67.05503	10.7
69.03052	3.9
69.03422	38.9
69.07061	9.9
71.01350	11.1
71.07367	3.5
72.04505	3.4
72.91352	2.1
73.02914	39.7
79.05492	7.7
81.03415	5.0
81.07045	25.0
83.04980	4.9
83.08640	4.3
85.02898	86.7
86.09706	17.6
87.04443	6.5
91.03974	4.4
91.05480	8.3
93.07039	24.5
95.04953	3.7
95.08591	45.7
97.02887	71.8
97.10154	4.0
99.04455	4.1
103.03928	3.3
104.10731	24.6
105.07010	33.5
107.04911	2.4
107.08588	44.2
107.09252	3.5
109.02874	7.5
109.06524	2.4
109.10154	21.4
111.08079	9.2
113.29697	2.1
115.03925	32.0
117.07027	3.0
119.08571	41.4
121.10131	26.7
123.11726	15.5
124.99999	9.2
125.09624	25.6
127.03902	22.8
131.08556	16.2
132.55324	2.3
133.04962	42.8
133.10104	34.1
135.10802	2.6
135.11641	14.1
137.09656	2.7
143.08557	7.2
144.06534	3.2
145.04953	28.9
145.10115	42.0
147.11662	33.2
149.09578	2.7
149.13255	11.8
150.07631	7.6
151.11157	2.7
152.79405	2.1
153.09088	2.4
157.10092	7.6
158.10971	2.7
159.08090	2.4
159.11690	27.5
161.13248	18.5
162.07663	3.3
162.13704	2.1
163.05980	12.8
163.11153	2.8
163.14774	16.6
170.10873	3.0
171.11708	6.5
173.13266	29.8
175.14806	33.6
177.12852	2.1
177.16365	33.8
180.08658	19.1
184.07339	34.3
185.13235	6.2
187.14790	52.5
189.16359	43.7
191.14305	9.7
191.17880	11.6
199.14755	15.6
201.16377	44.2
203.14374	7.7
203.17928	35.8
204.18369	2.4
205.15860	94.1
207.17451	5.1
209.15372	2.9
211.14839	2.8
213.16354	21.4
215.17984	18.0
217.15833	5.4
219.17441	10.7
221.15443	4.2
223.06042	5.4
223.16927	8.5
227.18079	3.4
229.19406	3.4
231.17435	4.2
233.18948	3.4
235.16992	7.9
241.07079	7.2
241.19643	4.1
247.16962	8.0
249.18491	3.9
259.08121	7.4
261.18536	5.7
267.21112	4.5
269.30585	2.4
271.22525	2.2
281.37061	2.2
295.10272	2.4
312.12885	10.3
334.69815	2.0
341.24713	6.7
377.31964	3.7
379.33664	3.2
389.31989	12.6
395.28784	3.0
395.33041	9.2
407.33060	56.3
408.33380	4.7
409.34930	3.0
423.32745	11.4
425.34070	13.4
435.32446	31.1
436.32779	3.0
441.33673	3.9
443.35080	11.9
453.33603	100.0
454.33765	4.2
471.34665	8.8
552.32837	5.4
702.71252	2.6
789.29047	2.6
800.37976	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	801.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72691	5.9
72.56134	6.3
79.01608	9.0
79.66653	5.7
95.01101	10.0
97.37587	5.3
117.41336	6.3
127.00038	9.6
141.05193	10.7
153.01591	13.0
171.76955	6.3
208.08109	5.9
227.05310	15.4
243.04805	8.5
271.04254	28.1
431.11618	10.3
475.10431	11.0
519.09479	14.0
713.24237	28.8
757.23230	49.4
801.22137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04350	0.2
65.03944	0.5
67.05486	0.3
69.27184	0.8
69.27586	0.5
70.13551	0.3
81.03390	0.3
83.04974	4.1
83.05429	0.3
85.02895	6.9
91.05470	4.8
95.04953	0.5
98.22645	0.4
99.04459	0.4
109.02866	0.3
111.04440	2.4
117.03369	1.4
119.04935	3.1
119.05727	0.3
127.03958	0.3
129.05505	0.9
136.05249	0.6
137.05962	0.3
145.02835	3.2
149.06020	0.6
151.07520	7.6
171.06537	0.9
173.05843	0.3
177.05446	3.9
179.06952	0.4
193.04674	2.5
199.03633	0.4
207.41977	0.3
211.05908	0.4
219.06337	0.3
299.09039	0.4
317.10080	0.4
335.11285	0.3
349.37787	0.3
359.11224	0.3
361.12509	0.4
377.12109	0.7
414.28906	0.2
470.45203	0.3
530.20251	0.3
571.17676	2.9
607.20081	0.5
744.94934	0.3
801.25604	100.0
802.25964	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	802.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	2.3
56.26323	1.6
64.24583	1.4
65.03925	8.8
66.21899	1.5
68.99783	1.4
69.03419	2.4
70.06598	11.2
71.04990	81.2
79.05489	2.4
86.69852	1.5
87.28642	1.5
88.23464	1.8
89.03934	1.7
91.05489	8.2
93.03392	11.0
95.04950	2.1
105.07051	1.9
107.04980	12.7
110.06032	1.9
111.04436	41.2
111.05173	3.0
115.05463	2.1
117.03345	2.5
117.07014	6.0
117.33125	1.5
119.04914	3.8
120.04451	2.1
123.04430	2.0
128.06210	4.3
129.06984	20.4
131.04907	2.6
132.04471	3.3
133.06508	2.1
135.04414	36.7
137.02341	6.6
138.05402	1.7
139.03891	65.0
143.04958	2.3
145.06491	5.3
146.06006	1.7
147.04422	6.4
148.03938	24.8
149.02325	2.4
150.05511	7.0
155.06015	1.7
157.06467	23.4
159.04416	3.2
161.06056	4.1
162.05496	3.0
162.09132	2.3
163.03883	15.1
164.07141	1.6
165.06984	12.4
166.04930	3.6
169.06526	1.6
171.04391	2.4
172.07512	2.4
173.05962	9.4
174.09131	2.3
175.03896	2.3
175.07588	1.9
176.03485	3.6
177.05475	3.3
178.05032	5.3
180.06528	2.1
181.04950	32.2
181.06281	1.7
182.05353	1.7
183.08011	1.6
185.05972	15.0
186.57178	1.9
187.03885	4.4
189.05464	4.1
190.08667	4.9
191.07108	3.0
193.06448	8.5
194.04497	17.0
195.02921	4.6
197.06039	3.1
199.03990	2.0
200.07092	7.0
201.05466	8.4
202.08609	8.2
203.03401	6.9
203.07047	3.9
205.04880	1.8
205.06541	6.4
207.06575	3.7
208.06006	3.8
208.09749	3.8
211.07544	3.9
217.04990	6.5
218.08104	9.0
219.06645	2.6
220.09718	10.3
221.05956	47.1
221.08080	3.0
222.06404	1.6
223.07550	13.8
225.05429	23.6
229.04984	1.6
230.90392	1.5
231.02855	3.6
233.05992	10.3
234.07509	1.8
235.06017	4.9
236.09206	18.1
237.05394	1.8
239.07050	15.8
240.07620	1.8
246.07632	6.6
247.05893	2.1
249.01398	1.8
249.05440	46.7
249.07945	2.9
250.06163	4.4
251.07039	17.8
252.04234	2.2
253.04932	13.9
254.10332	2.2
255.06505	5.1
259.03796	2.9
261.05487	3.0
262.06931	1.7
264.08664	68.3
266.10059	2.1
267.06537	22.4
268.06888	2.1
269.08072	3.4
271.06073	3.0
277.04935	39.1
278.05640	4.5
279.06570	14.1
281.04385	7.5
282.09686	53.6
285.07767	1.7
295.05991	100.0
296.06348	4.2
297.07635	5.1
305.04376	3.1
313.07025	6.0
321.03879	8.1
322.12558	1.9
323.05478	61.1
323.09265	3.6
324.05643	2.0
341.06610	5.1
443.07932	2.2
471.06952	4.2
489.08093	2.5
521.10596	7.4
558.14355	2.0
576.14825	11.4
586.13641	4.5
604.14453	86.8
605.14703	7.0
622.15472	31.4
802.05066	3.1
802.19592	51.5
803.19617	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	803.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91505	2.0
69.31712	9.0
94.93022	8.4
114.89370	6.9
120.96635	2.5
136.94014	38.3
148.94026	20.9
166.95116	20.8
208.96159	4.5
256.98288	7.0
282.77359	2.3
298.99335	28.2
329.00323	6.6
359.01202	4.0
368.63815	2.1
419.03522	21.7
445.06998	5.5
461.04514	96.6
462.04666	3.7
503.06125	2.6
520.98901	10.6
527.15588	4.2
543.13196	11.6
689.20538	3.0
691.21259	2.7
705.18427	100.0
706.18488	7.9
727.17224	2.5
729.15771	3.2
743.14026	73.0
744.14209	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	803.236
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64433	1.4
79.01595	8.8
80.53342	1.4
82.00322	9.4
84.02278	1.3
95.01096	6.1
98.23507	2.9
113.02180	1.4
127.00035	11.9
133.02687	1.9
138.02876	2.5
139.03729	1.4
141.05188	14.7
141.06149	1.3
153.01579	9.5
160.68903	1.3
169.04749	2.6
175.16568	1.5
181.04796	4.1
182.01938	3.2
185.04236	5.9
199.05879	3.9
209.04318	3.0
211.05887	2.1
227.05235	13.6
243.04710	12.1
253.03168	9.6
255.04761	9.6
257.21420	1.3
271.04196	32.2
271.06796	1.8
283.46893	1.4
287.03809	7.5
287.07001	1.5
288.04486	1.7
305.11652	1.7
306.12277	7.8
307.13086	2.7
329.01315	1.4
371.09390	2.7
389.10623	5.7
413.10678	1.8
431.11386	7.8
447.11432	3.3
475.10672	7.1
491.11124	1.5
519.09406	11.8
555.18219	2.6
648.52673	2.0
673.24280	3.1
695.45319	1.5
715.25800	22.4
716.25275	1.7
717.23486	6.7
759.24597	47.3
760.25085	3.5
803.23639	100.0
804.23663	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	803.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08693	1.6
56.46427	1.3
62.84057	1.3
65.03954	2.1
67.05508	1.6
69.03428	4.3
70.37830	2.9
70.41656	1.4
85.02898	4.4
93.07047	2.7
94.06570	3.5
95.07353	2.0
96.08131	5.0
108.08115	7.8
110.09702	10.7
113.85955	1.3
120.08083	7.3
122.06026	6.9
122.09682	1.4
136.07571	6.2
138.09138	11.8
148.07579	3.1
150.09106	2.3
166.08664	11.5
211.08682	2.9
217.44885	1.7
221.10698	1.5
247.08760	3.4
249.10237	12.8
261.10080	2.2
263.11890	2.7
277.09668	10.2
309.12424	6.2
310.12973	1.7
322.13245	2.1
323.14203	1.8
326.12833	3.8
328.10760	1.8
328.14307	1.8
338.16507	2.5
340.10831	2.1
340.14481	4.4
341.15375	1.9
342.12299	2.2
342.16104	2.2
350.12967	2.7
352.14801	2.8
353.11530	4.1
354.12372	8.1
355.13065	4.1
356.13800	4.7
364.14517	3.5
366.15997	4.6
367.13535	4.2
368.13950	12.2
369.14911	9.1
370.15564	2.2
371.16681	1.7
380.14005	2.0
382.11200	6.9
382.15579	5.7
383.12198	2.4
383.16443	3.5
384.12790	1.8
384.17151	8.1
392.13913	3.4
396.13461	5.6
397.14053	3.6
398.18704	11.7
408.13437	1.9
410.14975	6.3
412.16754	11.0
414.14346	2.1
415.15231	3.1
420.13177	2.5
426.14417	4.9
428.15878	6.0
429.16544	1.6
438.14465	28.1
439.14572	2.2
442.17862	2.4
444.19141	5.1
456.15561	36.5
456.21912	2.6
457.15598	1.7
458.17096	6.5
470.16980	3.7
476.11929	2.9
476.18198	34.2
488.18176	17.1
563.23547	1.8
591.22052	5.1
595.25726	2.2
609.23456	25.8
610.24329	1.9
623.24890	24.3
624.25500	2.4
641.25995	100.0
642.26392	8.6
771.28357	2.1
803.30615	4.2
834.96466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28304	2.0
61.17233	2.2
65.76353	1.8
67.05502	7.4
69.71120	3.6
69.71505	3.7
75.66965	1.9
79.05481	3.7
81.07053	5.9
91.05464	5.4
93.07036	3.4
95.08599	3.2
105.07021	8.0
106.82085	2.0
107.08639	2.5
109.06494	3.2
109.10149	6.7
117.06992	3.6
119.08607	3.3
128.06227	2.4
131.08595	2.2
133.06467	3.8
133.10202	2.0
135.08029	2.4
136.16177	2.0
137.06064	2.2
137.09630	3.1
142.07805	2.1
143.08511	6.3
145.06442	4.9
145.10123	3.6
146.98154	3.7
155.08571	1.9
156.09282	2.5
159.08058	5.3
161.05954	26.0
161.09552	2.5
163.07510	2.4
168.09261	2.4
171.11678	4.3
173.09653	3.1
175.07533	8.3
175.68869	1.9
179.07051	2.1
183.11693	2.4
184.08820	2.8
189.05443	11.2
190.06224	7.2
191.07014	7.4
199.11166	12.8
201.12715	5.7
204.06549	5.5
207.49590	2.0
211.11084	1.9
213.09149	2.1
214.09715	2.4
217.12184	26.0
227.10605	12.2
229.12228	28.5
242.11732	3.4
245.11720	29.7
247.13287	4.1
260.12823	3.9
262.14505	2.5
382.89746	1.9
397.88910	2.3
435.17087	2.2
486.22879	3.4
488.24268	3.6
504.23807	20.3
505.24429	3.9
506.25052	2.6
591.88483	2.1
732.35229	4.5
750.36212	100.0
751.36749	11.1
768.36700	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	804.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.9
61.02915	5.8
67.05501	15.5
69.03414	1.6
69.07055	4.3
70.12962	1.6
71.04975	1.3
73.02905	1.2
79.05483	12.3
81.03410	1.8
81.06618	1.1
81.07050	12.2
83.04971	0.9
83.08606	2.7
85.02905	5.3
85.06525	1.0
91.03958	3.2
91.05473	16.7
93.07038	12.2
95.04958	3.8
95.08592	9.4
97.02882	2.6
97.06515	2.2
97.10163	1.1
105.06343	1.3
105.07022	16.7
107.04971	1.5
107.08578	6.5
109.06499	2.5
109.10119	4.4
115.05464	1.0
117.07017	7.8
119.08581	9.9
121.06508	2.0
121.10150	5.3
123.08062	1.6
127.03928	1.2
128.06213	1.3
129.06995	6.0
130.07822	1.0
131.08549	12.0
133.06471	1.3
133.10124	7.1
135.08018	2.1
135.11661	2.3
141.06955	1.8
143.08543	6.4
145.04927	0.7
145.06464	0.9
145.10110	8.8
147.08047	1.7
147.11667	2.5
149.09622	1.8
155.08551	3.2
157.10158	4.1
159.11679	3.6
161.09584	1.4
163.06052	0.9
163.11186	1.1
167.08516	1.6
169.10132	3.1
171.11674	3.7
173.13235	1.6
175.11147	0.9
177.12688	0.7
181.10074	0.9
183.11703	2.4
185.13277	2.0
187.11130	0.8
187.14854	1.6
195.11725	1.6
197.13211	1.4
199.11098	0.7
199.14827	1.0
209.13216	1.1
211.14839	1.6
227.14337	1.0
228.48288	0.7
239.17979	0.7
247.17001	1.1
259.16974	1.3
261.18396	1.1
325.25208	1.6
335.23547	1.0
343.26434	1.6
353.24689	4.4
371.25687	4.6
389.26886	4.3
427.28513	0.8
445.29465	100.0
446.29810	6.0
463.30502	31.7
463.37201	0.9
464.30728	2.4
605.76227	0.9
732.62097	0.7
805.39777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.8
61.02925	3.7
65.03926	0.9
67.05158	0.9
67.05499	12.6
69.03424	0.6
69.07064	4.1
71.04993	1.0
73.02919	1.3
79.05489	10.9
81.03423	1.8
81.07053	11.4
83.04978	0.9
83.08615	1.9
85.02885	4.4
85.06541	0.6
91.03943	3.4
91.04885	0.6
91.05471	12.4
93.07046	12.0
95.04982	2.5
95.08591	7.7
97.02861	2.7
97.06537	1.2
97.10173	1.3
98.23471	1.1
105.07021	13.9
106.07368	0.7
107.04965	2.0
107.08591	4.2
109.06522	0.8
109.10170	3.7
111.04496	0.6
111.08081	0.9
117.07004	6.8
119.08569	9.3
121.06492	2.1
121.10149	4.0
123.08029	1.2
127.03903	1.3
129.06992	4.3
131.08565	13.0
133.06442	1.0
133.10123	6.6
135.08099	0.9
135.11688	1.8
141.06979	1.5
142.07689	0.9
143.08556	5.8
145.04991	1.5
145.06494	1.1
145.10095	7.9
145.11087	0.8
147.08034	1.8
147.11711	2.0
149.09586	1.3
151.11247	0.8
155.08542	4.4
157.10138	3.9
159.08014	1.0
159.11691	3.3
161.09659	0.8
161.13194	0.9
163.05956	1.2
163.11223	0.9
167.08621	0.9
169.10118	2.1
171.08008	0.7
171.11653	3.1
173.09714	0.7
173.13239	1.5
181.10121	0.9
183.11693	2.0
185.09494	0.6
185.13251	1.4
187.14799	0.9
195.11765	1.6
197.13268	1.4
199.11131	0.6
199.14737	0.9
201.16440	0.7
209.13283	1.3
211.14825	1.4
213.16328	0.7
219.13718	0.8
219.17383	0.5
223.14859	0.9
225.16299	0.7
241.15858	1.0
245.15317	0.6
247.16971	1.3
259.16907	0.6
267.15796	0.7
273.33997	0.6
275.19968	0.7
291.19412	0.8
325.25317	0.9
335.23679	1.0
343.26270	1.3
353.24713	3.9
365.23438	0.7
371.25775	5.3
389.26816	4.1
407.33237	0.6
445.29471	100.0
446.29846	4.6
463.30530	24.0
463.37094	1.2
464.30545	1.3
557.34833	1.2
569.07922	0.6
589.33307	0.8
762.91431	0.6
803.78748	0.6
805.37811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	15.2
57.58202	2.7
67.05505	37.5
69.03417	9.4
69.07067	25.0
69.31358	17.2
69.54575	2.5
71.05003	3.8
78.88991	2.8
79.05492	45.5
81.03416	71.3
81.07051	36.8
83.04971	9.9
83.08621	19.9
85.02895	3.4
91.05476	37.0
93.07039	30.0
95.01344	3.1
95.04964	26.5
95.08601	11.5
97.02890	13.9
97.06535	6.9
97.10162	14.8
105.06998	28.2
107.04953	13.3
107.08575	18.1
109.06525	4.9
109.10162	12.3
111.04446	4.1
111.08058	4.2
117.07001	9.6
118.04723	3.1
119.04884	4.4
119.08586	25.3
121.06503	6.1
121.10130	9.8
123.11707	3.8
125.09618	13.0
129.07001	8.2
131.08571	18.4
133.06477	5.2
133.10130	10.5
135.08075	4.8
137.09599	3.6
142.07782	4.5
143.08543	6.7
145.10114	8.3
147.08105	5.9
147.11681	7.3
149.02313	12.6
149.03346	3.6
149.09564	7.0
157.10121	12.6
159.11629	4.9
163.11121	3.2
175.11166	5.9
193.04961	11.1
193.12224	17.5
205.12260	4.6
219.13756	3.9
223.13287	24.0
227.12727	8.6
241.39412	2.9
249.14923	8.8
253.14293	3.4
267.15887	87.8
273.18521	12.5
291.19507	79.8
291.22626	4.9
365.23175	53.4
459.27127	7.3
477.28760	5.2
529.50085	3.2
539.33514	4.7
557.34662	100.0
558.34900	4.5
575.35443	3.8
614.75909	3.6
649.24805	3.3
716.14191	3.1
721.57092	3.7
773.29779	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	805.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	0.3
61.02903	0.5
63.02359	0.4
65.03910	1.2
67.05502	0.7
69.03421	1.8
69.28196	0.7
69.28601	1.3
79.05476	1.0
80.04999	0.7
81.03390	0.4
82.06554	0.9
85.02892	1.9
89.03894	1.2
91.05447	1.1
92.04964	0.7
93.05753	0.8
93.07027	2.5
94.06553	5.0
95.04942	0.9
95.07344	1.9
96.07527	0.4
96.08114	4.7
97.02848	0.9
103.05440	0.4
106.06518	1.6
107.07316	0.8
108.04453	1.4
108.07378	0.6
108.08103	9.2
110.08955	0.5
110.09666	7.3
116.04977	4.7
118.06532	0.8
120.04463	3.4
120.08086	7.0
122.06017	5.7
122.09632	1.2
123.06827	0.4
124.07588	2.4
132.04405	0.6
132.08083	0.7
134.06006	2.8
136.06564	0.7
136.07559	9.4
138.05473	1.0
138.09126	9.6
139.09480	0.4
144.04436	8.9
144.08008	0.3
145.05183	0.3
146.05992	5.3
146.09578	0.4
148.07559	4.2
150.05537	0.5
150.09148	1.5
152.07050	1.4
156.08035	0.4
158.06026	0.5
158.09645	0.3
160.03946	3.0
160.07553	0.5
162.05487	4.9
164.07050	1.6
166.08614	14.4
167.07295	0.6
168.08113	0.3
172.03915	49.1
172.07600	0.9
173.04300	1.2
174.05475	1.6
176.07057	3.0
178.04953	0.8
182.08232	0.4
182.09647	1.0
183.09140	0.8
184.09926	1.0
185.10677	0.3
186.05545	0.4
187.08548	0.4
188.07152	0.4
188.15082	0.3
190.03252	0.7
190.04962	12.0
194.09698	0.5
196.09880	0.8
197.07133	0.7
197.10716	2.0
198.07704	0.4
198.11380	0.4
199.08661	1.1
199.12331	2.0
204.06532	100.0
205.06972	2.2
209.10715	1.4
210.09187	1.1
210.11345	0.6
211.08621	3.4
211.12364	0.7
212.09290	2.0
213.10222	1.3
213.13731	0.5
215.11783	0.4
221.10696	0.5
222.07716	0.7
223.08636	1.2
223.12254	0.6
224.09444	1.4
225.10176	7.9
226.10912	1.3
227.11760	11.5
229.13333	0.4
235.08672	0.6
235.12303	0.5
236.09302	2.1
237.10193	3.7
238.10974	1.4
239.08110	0.4
239.11728	3.9
241.09702	1.3
241.13354	1.5
243.11255	0.4
245.12907	0.8
248.09570	0.4
249.10239	2.1
250.10953	1.0
251.08192	0.8
251.11797	3.7
252.08936	0.7
253.09692	5.1
253.13245	0.7
254.10298	0.5
255.11270	1.5
257.12921	0.4
261.10104	0.4
262.10922	0.5
263.08136	1.2
263.11752	2.5
264.08890	3.0
265.09677	2.4
265.13083	0.5
266.10461	0.9
267.11206	2.3
269.12817	10.0
270.10123	0.7
271.10724	7.7
273.12305	3.7
277.09723	2.3
278.10568	0.7
279.08286	0.2
279.11252	5.9
279.14120	0.5
280.11911	0.8
281.09406	0.7
281.12857	1.3
283.10718	5.7
284.11490	4.2
285.12314	5.0
286.13016	1.6
287.13885	18.2
288.14465	0.6
289.13190	0.5
291.11111	1.5
292.12149	0.6
293.09354	0.8
293.12762	0.7
295.10815	1.6
296.11691	1.2
297.12332	7.9
298.13095	0.4
299.14005	4.0
300.11456	0.6
300.14853	0.9
301.12799	0.4
302.13016	0.6
302.16360	0.4
305.09119	0.8
307.10660	2.2
308.11615	0.5
309.12314	1.5
310.13519	0.4
311.10556	0.5
311.14047	1.1
312.14886	1.2
313.12271	1.4
314.12863	2.3
314.16220	0.3
315.13818	1.5
316.11041	0.7
316.14441	1.6
317.15271	0.5
319.10764	0.6
320.70544	0.3
321.12335	0.9
323.10214	4.9
323.13687	0.7
324.10818	0.4
324.14752	0.4
325.11789	11.0
325.15646	0.7
326.13120	0.6
326.16583	1.8
327.13550	2.9
327.17282	1.5
328.10757	3.1
328.14526	2.1
329.11548	0.9
329.15088	2.8
330.12421	0.8
330.15973	2.2
331.13284	0.3
331.16891	1.5
335.10339	0.7
336.11218	0.4
337.11737	2.2
338.12946	0.6
339.13660	2.0
340.14542	1.0
341.11859	1.1
341.15677	0.4
342.12408	6.3
342.16141	1.1
343.13049	4.1
343.16794	0.6
344.13843	0.9
344.17728	0.9
352.14441	0.7
353.12109	0.5
354.12613	1.1
354.16052	1.1
355.12918	1.8
355.17166	0.7
356.13925	4.6
356.17542	0.5
357.14404	35.6
358.15326	5.4
360.17261	0.5
366.11996	0.4
366.16278	0.6
367.13168	2.0
368.13834	0.6
368.17752	0.5
369.14682	1.2
370.07855	0.4
370.11694	0.8
370.15588	4.0
371.16287	1.2
372.12796	0.4
372.17102	1.0
374.18817	0.6
376.16663	0.3
378.18112	1.2
380.13852	0.8
382.11676	4.2
383.12564	2.9
384.13153	3.5
384.17081	0.7
385.13864	1.8
386.14096	2.1
386.19089	3.4
387.15762	0.6
388.16586	1.0
390.17975	3.0
394.15567	1.0
396.13174	0.5
396.17584	0.5
397.14993	1.0
398.14914	15.4
399.15732	23.9
400.16406	3.1
402.18250	1.6
404.15973	4.6
412.16531	1.8
414.18158	3.4
415.15366	0.5
416.15970	13.9
417.16602	1.2
418.17529	0.5
422.16833	1.4
428.15912	2.4
430.17645	2.7
431.18665	0.5
440.15994	4.9
446.17053	8.5
448.18872	0.8
458.17056	25.7
459.17520	1.4
460.18668	0.9
472.18811	0.4
478.19559	3.1
487.17337	1.4
490.12329	0.7
490.19635	13.5
491.20062	0.5
520.20789	2.4
521.21594	0.6
522.22327	5.7
523.22644	0.7
541.24261	0.7
551.23242	0.4
565.16278	0.3
565.24677	1.4
567.26031	1.1
569.23859	4.6
583.25385	1.7
593.23901	5.3
594.24463	0.4
611.24908	83.1
612.25079	6.9
626.25415	0.8
643.27533	21.7
644.28101	1.8
650.24158	0.5
682.26044	1.0
684.27307	1.1
755.28601	0.4
773.30005	6.0
774.30969	0.6
805.32697	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	805.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	0.6
65.03939	1.3
67.05486	1.3
69.03426	2.3
73.02937	0.7
76.37109	0.5
77.03951	0.5
79.05496	1.8
81.03419	1.5
82.06602	1.3
82.33930	0.6
85.02919	3.0
86.98494	0.5
89.03928	0.8
91.05484	1.9
92.05025	1.1
93.05798	1.4
93.07036	2.6
94.06563	6.2
95.04970	1.3
95.07362	2.1
96.08123	5.3
97.02885	1.4
97.06554	0.6
103.05474	1.2
105.04516	0.8
106.06549	1.6
107.07368	1.0
108.04459	3.2
108.08108	11.3
110.09670	8.9
111.09935	0.8
116.04958	2.8
118.06580	1.1
120.04461	4.5
120.08095	8.1
122.06010	6.4
122.09664	2.4
124.07573	8.1
127.03925	1.1
132.04433	1.2
134.05977	3.6
136.07558	12.2
138.05505	1.1
138.09119	12.2
144.04434	6.5
146.05988	7.1
148.07549	5.3
150.09079	1.4
152.07037	2.7
158.05994	0.6
160.03911	2.8
160.07663	0.8
161.07132	0.6
162.05539	3.8
164.07043	1.8
166.08624	17.4
168.08052	0.7
172.03918	26.8
172.07628	1.3
174.05544	2.3
176.07085	3.5
177.05490	0.7
182.09671	1.6
184.09999	1.0
186.05531	0.7
186.09189	1.1
190.04980	19.8
190.06636	1.2
195.09087	0.7
195.54163	0.6
196.09875	0.8
197.10628	2.7
198.11557	0.9
199.08731	1.0
199.12292	2.9
204.06541	43.2
208.09848	0.8
209.10826	1.1
210.09319	1.3
210.11533	1.1
211.08659	3.7
211.12294	1.2
212.09467	2.0
213.10236	1.7
215.11949	0.7
221.10695	1.4
222.07730	0.7
223.08691	1.2
223.12344	1.8
223.66275	0.6
224.09505	1.9
225.10188	10.2
226.10942	1.5
227.11758	15.9
228.12048	1.0
235.08711	1.4
235.12344	0.7
236.09320	2.7
237.10181	3.9
238.11099	2.1
239.11798	4.2
241.09740	1.8
241.13312	1.3
243.11302	0.8
245.13031	1.1
248.09410	0.7
249.10246	3.5
250.11038	1.5
251.08311	0.9
251.09200	0.9
251.11836	5.6
252.09035	1.2
252.12451	1.0
253.09631	6.1
253.13481	1.1
255.11284	1.7
257.12851	0.6
259.11221	0.6
261.10300	1.2
262.11096	1.0
263.08206	1.7
263.11798	2.7
264.08896	3.6
265.09583	3.5
266.10391	1.6
267.11264	3.5
269.12808	17.5
270.13501	0.7
271.10687	9.5
272.11337	1.0
273.12292	4.8
277.09616	3.1
278.10593	1.3
279.11246	6.3
280.12030	0.7
280.20502	0.6
281.09451	1.1
281.12903	1.7
282.10156	0.7
283.10703	7.5
284.11526	4.4
285.12305	5.1
286.13321	1.2
287.13904	15.6
288.14456	0.7
291.11258	1.3
294.09930	1.0
295.10773	2.1
296.11462	1.0
297.12366	11.1
298.13684	0.9
299.13895	6.1
300.11792	0.8
301.12662	0.7
302.12900	0.6
305.09360	1.0
307.10641	3.2
309.12418	1.8
311.14301	1.1
312.15070	1.7
313.12833	1.8
314.12869	2.7
315.13675	2.3
316.14545	2.2
321.12476	1.1
323.10251	6.7
325.11786	22.9
326.12790	1.3
326.16556	1.6
327.13641	2.0
327.17349	1.9
328.10858	3.6
328.14536	2.9
329.11563	0.8
329.15048	2.0
330.12534	0.9
330.15897	2.9
331.16803	1.9
336.11157	0.8
337.11865	2.1
339.13544	2.1
340.10913	1.1
340.14658	1.4
341.11804	1.7
342.12473	6.1
342.16089	1.7
343.13055	7.1
343.16595	0.8
344.13785	2.0
352.14670	0.8
353.12567	1.2
354.12558	1.6
354.16321	1.0
355.13333	2.5
355.17285	0.9
356.13882	7.2
356.17352	0.7
357.14471	22.0
358.15347	5.2
365.11264	2.1
367.13303	2.4
368.10052	0.7
368.17770	1.2
369.15472	1.2
370.11789	1.1
370.15637	6.8
371.16220	2.1
372.13062	1.0
372.17227	2.0
378.18106	1.4
380.14066	1.8
382.11734	5.6
383.12546	3.1
384.13358	5.0
384.17337	1.4
385.14328	2.3
386.14307	2.8
386.19193	3.5
388.16580	1.2
390.18298	3.4
394.15610	1.7
397.15036	1.8
398.14944	20.7
399.15732	28.6
400.16678	3.3
402.18118	1.2
404.16052	6.1
412.16592	2.6
414.18192	4.3
416.16016	17.6
416.21179	1.2
417.16666	1.6
422.16901	1.7
428.15762	3.0
429.16910	0.7
430.17758	3.0
440.15982	7.4
441.14658	1.6
446.17142	10.6
448.18332	0.8
458.17062	32.3
458.76355	0.7
459.17447	2.4
460.18661	0.9
472.19162	0.8
478.19846	1.6
487.16992	9.4
488.17606	1.0
490.19702	11.1
491.19980	0.8
520.21149	3.0
521.22186	0.8
522.22449	4.2
523.23199	0.8
551.22919	0.8
565.24042	1.5
567.25989	1.9
569.24005	4.7
575.22968	1.0
578.21576	0.7
583.25305	2.1
593.23804	6.7
594.23486	1.2
611.24939	100.0
612.25073	7.8
620.22101	0.8
626.24860	2.5
643.27454	11.3
644.27734	1.8
731.29449	1.1
745.30542	1.1
755.28601	1.0
773.30139	22.3
774.30518	2.3
805.33557	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.6
69.03425	2.4
69.75559	2.2
79.05479	0.7
81.03441	0.8
82.06564	0.6
85.02901	2.3
91.05473	0.9
93.07046	1.6
94.06572	3.8
95.07346	1.9
96.08115	4.0
97.02888	1.0
107.07306	1.0
108.04496	0.8
108.08104	6.7
110.09673	7.7
120.04517	1.0
120.08099	5.7
122.06005	4.6
122.09642	1.6
124.07586	2.1
134.05971	0.6
134.72383	0.6
136.07570	10.1
138.09129	12.0
146.05998	1.0
146.09650	1.1
148.07539	3.5
148.76372	0.5
149.12938	0.6
150.09172	1.9
152.07021	0.7
162.05481	0.6
166.08626	15.4
172.03947	4.8
190.05045	2.6
199.12299	0.6
204.06529	7.7
211.08685	0.9
214.51947	0.6
223.12256	0.7
225.10229	1.8
227.08255	0.7
227.11829	2.9
235.08687	1.8
236.09454	1.9
237.10214	6.4
238.10971	4.1
239.11809	5.3
247.08659	3.3
248.09442	3.7
249.10229	10.8
250.11037	12.2
251.11800	8.9
252.12563	1.2
253.09866	1.6
253.13501	1.2
261.10275	5.3
262.11063	3.6
263.11780	28.9
263.76657	0.6
264.09262	1.1
264.12427	3.3
265.09750	4.6
265.13315	5.0
266.10367	1.0
267.11313	3.1
269.12790	3.1
271.10934	1.4
273.12387	0.6
276.08945	1.0
277.09714	5.3
278.10403	2.9
279.11255	21.9
280.11801	1.5
281.09650	1.1
281.12921	4.9
282.10071	2.0
283.10788	2.4
284.11591	0.8
285.12430	1.6
287.13901	2.2
289.09784	2.6
290.10645	0.8
291.11240	15.2
292.11981	3.1
293.09631	1.0
293.12766	5.4
295.10806	3.3
295.14191	1.1
296.11560	2.3
297.12302	4.8
298.12961	0.9
299.14056	1.1
305.09219	0.6
307.10721	9.6
309.12299	13.0
310.12903	1.3
311.13931	3.0
313.11691	0.7
317.09171	1.4
318.09885	0.9
319.10776	5.6
321.12219	0.9
323.10211	3.1
323.13937	3.7
325.11868	8.9
325.15451	0.6
327.13681	1.0
328.14642	1.3
330.15878	0.7
335.10248	5.5
336.10901	3.1
337.11798	36.3
338.12445	1.1
339.13559	1.9
342.12329	0.9
342.16068	1.4
343.13031	1.3
355.12863	11.5
355.16803	0.7
356.13788	3.1
356.17633	1.2
357.14420	26.7
358.15106	2.2
367.12875	14.0
368.13730	3.4
369.14447	17.0
370.15399	3.0
372.17377	0.7
384.13016	0.9
384.17361	0.9
385.13885	0.7
388.16409	1.0
398.14896	2.7
399.15720	4.1
400.16565	1.7
402.18039	1.4
403.18903	4.2
414.18353	1.0
416.15430	3.2
428.16040	1.1
429.16846	0.8
430.17310	1.0
432.19098	1.2
440.15958	1.4
442.17670	0.6
444.19177	1.6
446.17050	1.8
447.17731	1.1
458.16901	6.0
460.18567	2.0
472.18225	0.8
476.22400	1.0
478.19528	3.1
487.17657	1.1
488.17990	3.1
489.18723	0.9
490.19757	13.4
492.21420	2.1
502.19547	2.0
503.20950	0.8
504.21133	2.3
520.20758	40.0
521.21429	9.3
522.22327	100.0
523.22571	6.6
593.23633	1.4
611.24908	19.2
612.24976	1.2
625.26678	2.2
643.27594	9.4
650.21985	0.7
652.24854	2.3
682.25970	5.7
683.26471	3.9
684.27551	19.3
685.27887	1.4
773.30182	4.9
834.59320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.328
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08715	1.0
69.03426	1.9
69.58036	1.0
80.94304	0.9
85.02910	2.9
90.39935	0.9
92.05007	0.9
93.07016	1.3
94.06597	4.9
95.07384	1.4
96.08122	4.0
97.02889	1.5
106.62961	1.0
108.04486	2.1
108.08092	8.2
110.09679	4.9
112.87466	1.1
114.66469	1.1
116.04975	2.5
120.04489	2.5
120.08089	5.9
122.06038	5.5
124.07569	4.2
126.73714	1.0
126.83498	1.0
131.75510	0.9
132.04436	1.2
134.05974	2.8
136.07570	8.1
138.09111	7.5
144.04449	3.1
146.05994	4.7
148.07567	2.2
150.09087	1.6
152.07086	2.4
160.03932	2.2
162.05418	1.8
164.07101	2.1
166.08627	15.5
172.03920	18.4
174.05484	2.2
176.07045	2.7
190.04979	17.8
193.37025	1.2
197.10683	1.8
204.06529	37.2
209.10791	1.4
210.09418	1.1
211.08691	1.9
224.09299	1.9
225.10216	6.5
227.11775	9.6
236.09474	1.7
237.10205	2.8
238.10985	1.1
239.11697	3.4
241.09598	1.4
249.10197	2.1
250.10916	1.1
251.11827	3.5
253.09706	4.4
264.08963	2.1
265.09601	1.5
266.10571	1.6
267.11343	2.5
269.12820	16.5
271.10736	7.7
273.12296	4.4
277.09628	1.8
279.11258	5.2
281.12726	1.7
283.10730	3.5
284.11575	2.9
285.12378	4.5
287.10764	1.6
287.13834	14.3
295.10611	2.3
297.12341	7.8
299.13873	4.7
307.10681	2.2
312.14883	1.4
313.12756	1.0
314.13132	1.7
316.14236	1.3
321.08215	1.0
323.10214	5.2
324.42612	1.1
325.11798	20.8
326.12527	1.8
326.16464	2.3
327.13620	2.4
328.10913	2.1
329.15231	1.4
330.15964	2.4
331.16641	1.3
337.11844	1.4
341.11896	1.2
342.12387	4.5
342.16107	2.0
343.12991	4.3
355.13504	2.2
356.13889	3.7
357.14413	18.5
358.15390	3.8
365.11380	1.7
367.14011	1.5
370.15421	4.1
378.17761	1.4
382.11835	4.1
383.12579	2.1
384.13156	2.0
385.14093	2.8
386.19080	2.0
390.18274	1.6
397.14432	1.0
398.14990	15.9
399.15723	20.7
400.16119	2.8
404.15878	4.4
412.16718	1.6
414.17975	4.2
416.15942	12.9
428.15970	3.3
430.17480	3.9
440.15924	5.7
441.15021	1.7
446.17044	12.2
458.17114	29.1
459.17361	1.7
478.19775	1.8
487.17120	7.4
490.19617	10.6
565.24469	1.9
567.25574	1.9
569.23596	4.4
583.25598	3.2
593.23743	6.1
611.24945	100.0
612.25604	7.4
620.22583	1.3
626.24915	1.8
643.27533	8.4
644.27246	1.1
657.05273	1.1
729.30066	1.2
773.17462	1.4
773.30170	19.7
774.30383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.328
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16660	1.1
68.90757	1.3
69.03416	1.8
69.17973	1.1
81.03413	1.3
85.02888	3.1
92.92477	1.2
93.05773	1.3
93.07011	2.0
94.06560	5.3
96.08115	4.6
106.06564	1.4
107.07375	1.2
108.04456	2.9
108.08097	6.0
110.09675	5.8
116.04989	3.3
118.06554	1.4
120.04417	1.9
120.08133	7.2
122.06016	5.2
124.07625	4.1
130.06525	1.6
134.05966	2.8
136.07552	9.3
138.09128	7.9
138.27892	1.5
144.04454	4.5
146.06012	5.5
148.07483	2.9
150.09196	1.9
152.07030	2.3
160.03868	2.4
162.05473	3.6
164.07103	1.9
166.08650	15.2
172.03928	26.3
174.05437	2.1
176.07143	3.3
190.04965	16.7
197.10736	1.6
199.12325	2.2
204.06557	45.5
211.08609	1.6
224.09491	1.3
225.10307	7.9
226.10986	1.4
227.11771	10.1
237.10150	4.3
239.11743	4.5
241.09895	1.3
249.10301	2.0
251.11752	3.4
253.09697	4.2
255.11377	1.9
264.08942	2.7
265.09567	2.3
267.11249	2.5
269.12808	15.4
271.10818	8.8
273.12299	2.5
274.19870	1.2
277.09665	2.0
279.11301	4.3
281.09256	1.3
281.13028	1.9
283.10727	5.5
284.11530	4.7
285.12369	4.9
287.13937	13.2
290.94913	1.3
295.10651	2.3
297.12360	8.2
299.13995	4.8
307.10669	2.7
309.11923	1.4
314.12750	1.8
315.13727	1.5
321.12076	1.5
323.10193	6.3
325.11847	17.8
327.13489	2.6
328.11014	1.8
328.14496	3.6
329.15222	1.4
330.15829	2.2
342.12299	6.0
343.13129	5.4
344.13690	1.5
354.16068	1.8
355.13135	2.1
356.13913	5.8
357.14456	22.2
358.15405	3.8
370.15359	5.1
371.15939	2.8
378.17780	1.7
382.11774	2.6
383.12622	2.8
384.13217	3.6
385.14059	3.3
386.18860	2.9
390.18079	3.3
398.14990	16.3
399.15698	26.7
400.16425	2.3
404.15796	7.0
412.16418	2.1
414.18112	5.0
416.15945	16.3
417.16672	2.5
428.15906	3.4
430.17557	3.4
440.16052	6.8
446.16898	6.5
458.17099	26.7
459.17471	2.1
478.19348	2.6
487.17273	7.7
490.19757	7.3
539.25665	1.4
569.24097	2.1
593.23602	5.3
598.99780	1.7
611.24939	100.0
612.25720	7.3
643.27557	14.2
656.81366	1.4
672.27051	1.4
730.25568	1.3
773.30157	26.1
774.30219	2.6
805.32111	3.6
825.35327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.3
69.03400	1.3
69.23233	2.1
69.23645	2.1
79.05488	1.7
81.03372	1.0
85.02877	1.7
89.03889	1.0
92.04968	0.8
93.07013	1.8
94.06548	4.0
95.07315	1.8
96.08143	4.1
97.81020	0.7
103.05478	1.2
108.04456	1.9
108.08118	6.1
110.09667	6.5
116.04942	3.3
118.06554	0.8
120.04434	4.1
120.08096	5.6
122.06034	5.2
124.07552	2.1
134.05995	2.3
136.07556	8.0
136.69553	0.8
138.09126	9.9
139.09413	0.9
144.04390	5.7
146.05971	5.3
148.07550	2.8
150.09105	1.3
152.07028	1.6
160.03926	3.0
162.05515	4.3
163.03876	0.9
164.07037	1.7
166.07277	1.3
166.08618	14.9
172.03917	44.7
174.05531	1.8
176.07042	2.9
183.75287	0.7
186.09024	1.0
190.04971	12.1
197.10646	1.3
199.12279	0.9
204.06537	100.0
205.06877	2.3
211.08669	2.8
212.09358	1.6
213.10167	1.1
217.62143	0.8
223.08606	1.1
223.12242	1.1
224.09254	1.2
225.10185	8.7
227.11751	12.1
236.09300	1.2
237.10213	2.2
238.10899	1.6
239.11705	3.3
241.09573	1.1
241.13251	1.0
249.10152	1.4
251.11763	2.6
253.09628	3.8
255.11205	1.6
261.10220	0.9
263.08105	1.2
264.08929	2.7
265.09634	1.7
266.10358	1.5
267.11267	2.1
269.12823	11.1
271.10733	8.5
273.12329	2.7
277.09717	1.5
279.11310	4.0
281.09525	1.0
281.12732	1.2
283.10712	5.3
284.11487	4.9
285.12366	4.3
286.13171	1.6
287.13879	21.1
291.11108	1.2
295.10794	1.8
297.12265	7.6
299.13934	3.5
305.09387	1.0
307.10797	1.7
312.14853	1.8
313.12933	1.1
314.12927	1.8
315.13589	1.7
321.12311	1.0
323.10196	7.2
325.11740	11.9
326.12833	1.4
326.16568	1.2
327.13467	2.5
328.10797	2.9
328.14407	2.5
329.14972	2.8
330.16046	1.4
331.16800	1.4
339.13553	2.2
340.14505	1.3
341.11835	1.1
342.12439	4.7
342.16171	1.2
343.13068	2.9
343.17023	0.8
354.15994	1.1
355.13123	1.2
356.13925	6.3
357.14423	41.4
358.15216	4.2
367.13104	1.6
369.15219	1.1
370.15442	3.3
371.16208	1.9
372.16965	1.0
374.18805	0.9
378.18045	0.9
382.11957	3.4
383.12598	2.1
384.13290	3.1
384.17538	1.6
385.14279	2.0
386.14761	2.2
386.18622	2.6
390.18243	2.7
397.15204	1.0
398.14954	18.2
399.15747	30.3
400.16287	2.7
404.15845	5.2
412.16479	1.2
414.18246	4.4
416.15939	19.4
417.16281	1.1
422.16663	1.7
428.16034	3.0
430.17542	2.4
440.16248	5.5
446.17151	7.7
447.18173	0.9
458.17090	23.9
459.17426	2.0
478.19830	3.5
487.17035	2.2
490.19714	13.0
491.19958	1.0
519.19751	1.5
522.22412	1.8
567.25836	1.2
569.24005	3.5
583.25201	1.1
593.23871	3.7
611.24890	98.8
612.25220	7.3
643.27502	50.4
644.28046	3.6
737.27563	1.0
773.30371	8.5
805.32312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	1.5
62.60017	1.4
66.82000	1.4
67.05499	7.3
69.03433	17.4
69.07063	29.4
70.77235	2.3
71.04987	6.1
72.47187	1.6
73.02898	2.2
73.06546	2.5
79.05479	19.3
81.03411	12.8
81.07072	9.9
83.04977	63.0
85.02892	10.7
91.05472	17.8
93.07037	17.5
95.04976	8.1
95.08612	4.4
97.02882	7.2
97.06524	50.6
99.04446	14.9
101.05978	3.1
105.04476	1.8
105.07020	45.9
107.04959	8.5
107.08602	12.5
109.02863	5.3
109.06519	12.1
112.25422	1.7
113.06042	1.7
115.03941	1.6
115.05413	1.7
115.07555	1.6
117.07018	7.4
119.04951	6.8
119.08574	10.8
121.06500	35.2
121.10114	2.5
123.26833	1.7
125.05982	100.0
127.03934	2.9
127.07581	2.2
128.06207	2.4
129.06990	2.9
130.07799	4.6
131.04910	2.6
131.08600	14.9
133.06429	8.1
133.10124	5.0
135.04442	4.9
135.08031	3.2
135.11707	3.8
137.05963	21.6
139.07512	3.0
140.13559	1.5
141.07025	3.7
142.07776	1.8
143.07024	89.0
143.08488	4.9
144.09299	3.7
145.04953	1.5
145.06471	12.3
145.10115	83.7
146.10443	1.8
147.04382	23.7
147.08031	3.4
147.11670	4.2
149.05923	1.9
151.07512	16.2
154.07794	3.2
155.08554	4.7
157.10042	3.2
158.07298	8.4
159.08028	8.3
159.11681	35.2
163.07480	2.9
163.11172	25.5
169.10107	9.7
171.08083	2.4
171.11557	2.5
172.08804	2.7
173.09608	64.5
175.07622	2.2
177.12740	15.9
179.07054	5.9
179.08517	2.6
187.11159	56.8
188.11581	1.8
189.09196	1.7
189.12755	3.6
191.10652	27.5
197.09615	8.4
205.12233	64.9
206.12619	2.6
209.11720	11.4
213.09113	2.1
215.10654	71.9
216.11098	1.8
223.13370	2.4
233.11705	87.9
234.12120	1.8
251.12766	43.5
269.13901	4.9
317.13754	1.9
341.13480	1.9
359.14880	2.8
377.16022	9.0
395.16852	11.6
413.18036	47.5
414.18185	2.9
510.25488	1.9
575.23047	2.1
599.70502	1.6
642.49298	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
65.03947	2.5
67.05494	8.0
69.03429	17.7
69.07066	22.6
69.25573	1.1
71.01368	1.4
71.04987	6.0
73.06563	3.5
79.05487	18.4
81.03409	14.4
81.07049	11.3
83.04977	65.1
85.02904	13.1
85.06536	2.6
88.07624	1.9
91.05470	20.1
93.07037	17.3
94.04176	1.3
95.04963	13.7
95.08612	5.1
97.02885	6.9
97.06526	54.6
98.06906	1.1
99.04446	14.8
101.06046	2.6
103.05455	2.7
105.04519	1.8
105.07021	45.0
107.04924	8.0
107.08585	14.8
109.02868	6.5
109.03572	1.1
109.06516	13.9
111.04471	1.7
111.08118	1.4
113.05995	2.6
115.05460	2.5
117.07018	10.0
119.04935	18.4
119.08556	8.5
121.06494	34.6
121.07316	2.3
121.10158	3.6
122.03653	2.2
123.04409	2.1
123.08042	1.9
125.05984	100.0
127.03909	5.7
127.07539	1.9
128.06235	2.6
129.06964	6.8
130.07776	3.6
131.04942	2.1
131.08554	17.5
133.06464	10.8
133.10133	6.4
135.04437	3.9
135.08064	2.8
135.11670	3.7
137.05972	49.0
138.06355	1.4
139.07565	3.6
141.07010	1.9
142.07721	2.2
143.07028	88.4
143.08542	8.0
144.05769	1.2
144.07323	2.0
144.09340	4.3
145.06479	9.7
145.10115	88.6
146.10489	1.6
147.04399	23.7
147.08049	4.9
147.11725	4.0
149.06052	3.6
151.07541	18.3
154.07753	2.9
155.08539	4.0
157.06438	1.3
157.08649	2.2
157.10129	5.3
158.07265	8.0
159.08040	9.0
159.11681	35.2
159.12933	2.4
161.09686	2.8
161.13324	1.3
163.07553	4.1
163.11171	27.4
169.10091	9.8
171.08066	2.9
171.11694	2.9
172.08870	3.2
173.06036	1.8
173.09608	68.0
174.09953	2.5
174.66876	1.3
175.07542	1.7
175.11195	2.2
177.12724	13.3
179.07027	7.7
179.08386	1.5
182.07300	1.6
183.07967	1.6
185.09613	2.3
187.11168	65.9
188.11551	1.5
189.09076	2.0
189.12796	4.3
191.10654	25.1
197.08028	2.2
197.09641	9.7
200.08195	1.5
201.09262	1.6
205.12228	69.0
206.12572	2.7
209.11708	11.6
211.07526	1.5
211.11314	1.4
215.10663	62.3
216.11015	2.0
219.10442	1.4
223.13272	3.5
233.11702	88.3
234.11928	2.1
241.90721	1.4
251.12758	52.3
257.11646	1.2
269.13797	8.0
275.12671	1.3
275.48590	1.2
310.81631	1.2
313.14087	1.4
317.13654	1.5
341.13794	2.9
359.14832	4.6
377.15973	9.7
380.82315	1.2
395.16992	14.6
413.18036	50.0
414.18307	2.7
493.42459	1.5
575.23297	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	24.6
57.07056	3.1
59.54214	2.6
61.02919	4.1
65.03938	9.6
67.05498	98.6
69.03429	13.3
69.07063	35.9
69.59084	3.4
70.64796	4.4
71.04986	27.1
72.29332	3.3
79.05014	2.0
79.05482	89.4
81.03410	100.0
81.07048	97.9
83.04974	19.6
83.08616	30.8
85.02905	9.4
85.06523	5.6
91.05474	82.4
93.07040	83.3
95.04958	52.5
95.08605	40.8
97.02871	10.8
97.06513	36.2
97.10155	19.7
99.08099	4.6
105.04515	3.4
105.07018	60.4
107.04945	20.0
107.08578	40.4
109.06513	14.6
109.10149	23.8
111.08065	14.1
115.05448	4.7
115.07542	7.5
117.07002	22.1
119.04951	4.5
119.08560	38.8
121.06518	12.6
121.10135	25.1
123.04440	4.8
123.08106	8.1
123.11720	8.4
125.09637	16.8
127.03976	4.2
129.06985	20.2
131.08572	33.6
133.06505	7.9
133.10114	30.7
134.63789	3.0
135.08054	9.4
135.11694	21.0
137.09625	7.4
141.07002	4.0
143.08582	13.0
145.06471	5.6
145.10101	19.0
147.08052	10.0
147.11682	19.5
149.09589	20.0
149.13289	7.0
155.08588	4.5
157.10114	16.4
159.11703	14.5
161.13158	4.0
163.11183	10.4
169.10138	5.9
171.08116	3.4
171.11681	9.1
173.09598	5.6
173.13281	3.3
175.11200	11.1
177.12758	7.0
179.14377	4.7
183.11700	5.5
185.13303	5.9
187.11211	3.3
189.11211	10.6
193.12206	28.0
197.13257	3.5
211.13219	4.2
217.15886	3.8
227.12698	17.8
231.13643	3.7
249.14783	4.1
255.15923	10.1
257.19089	3.9
267.15884	88.4
269.17419	23.9
273.18524	9.2
275.19983	23.9
291.19577	6.1
301.14304	3.5
301.20090	10.3
306.58328	3.0
349.23709	26.2
351.23178	3.5
369.24274	4.7
385.24020	4.3
421.26071	5.7
437.29501	4.0
443.27933	10.1
447.27374	21.8
449.30325	7.2
459.26984	4.0
461.22656	5.2
461.28915	59.9
463.30862	3.6
465.89191	3.5
467.31641	4.7
475.30188	4.2
485.32047	3.3
493.31525	12.5
533.34381	7.2
541.35162	66.1
542.35205	4.0
559.36316	29.2
573.37750	4.2
591.37866	6.1
807.37836	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	806.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	8.3
67.05498	29.7
69.07059	9.2
73.44440	2.7
79.05486	25.0
81.07050	28.2
81.61985	2.5
83.04969	3.3
83.08608	5.3
83.48248	2.4
91.05469	21.8
93.07027	28.0
95.04958	8.8
95.08602	20.4
97.06512	4.8
97.10168	3.2
98.23474	8.2
105.07017	19.3
107.04913	6.6
107.08569	15.4
109.10172	12.4
117.07016	4.7
119.08586	15.1
121.10115	10.2
131.08534	10.9
133.10071	13.1
135.11679	5.9
145.10112	9.9
147.11647	4.3
149.09575	5.6
159.11639	3.5
173.13316	2.5
219.17433	42.8
227.12802	2.8
228.87776	2.8
237.36136	2.5
257.64886	2.6
275.19980	29.4
335.25790	48.4
336.25952	2.9
349.23743	21.5
407.99533	2.9
537.51703	2.6
601.97192	2.7
608.05023	2.9
609.35089	5.0
609.45026	100.0
610.44977	8.9
637.99066	2.5
720.02509	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	807.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	3.7
70.65301	3.3
79.05457	2.0
80.32930	1.5
81.03410	2.1
85.02908	6.0
85.73651	1.8
91.05448	3.5
93.05779	2.3
93.07013	3.2
94.06558	10.5
95.07340	2.5
96.08128	10.2
106.06551	3.4
107.07327	2.7
108.08106	22.5
110.09650	13.4
116.04981	1.7
117.92342	1.6
120.04482	2.4
120.08102	14.1
122.06055	16.8
122.09648	3.5
124.07578	7.0
134.05989	4.4
136.07555	30.7
138.09131	23.4
144.04454	5.5
146.05959	9.6
148.07552	24.2
150.09131	15.9
152.07059	31.8
160.07597	2.8
162.05490	2.9
164.07063	7.0
166.08626	52.3
172.03935	28.1
174.05502	2.6
176.07062	6.1
182.08099	3.7
184.93219	1.9
190.04953	21.1
198.11499	6.8
204.06529	39.2
204.08321	3.2
210.11508	6.8
211.12329	10.1
212.13152	2.6
223.12344	5.3
224.09508	2.2
225.10229	7.8
226.11011	7.6
227.11778	6.4
235.08597	2.1
235.12292	2.0
236.09372	2.5
237.10139	10.3
238.10895	10.1
239.11766	12.7
239.15692	1.8
246.07605	2.8
249.10258	7.4
250.10942	8.4
251.08199	2.3
251.09236	2.4
251.11804	22.4
252.08745	2.3
252.12550	4.8
253.09778	3.4
253.13353	7.3
255.11264	4.8
256.11893	3.1
257.12839	2.2
262.11118	3.8
263.11816	18.2
264.08875	5.0
264.12537	4.1
265.09726	8.7
265.13290	10.8
266.10483	6.8
266.14230	1.8
267.11258	28.9
268.12231	2.8
269.12836	7.9
271.10901	2.4
271.14423	7.8
273.12381	2.9
277.09766	4.4
277.13327	3.3
278.10513	5.0
279.08353	1.3
279.11267	35.9
280.09125	1.9
280.12021	6.8
281.12885	17.4
282.09860	2.9
283.10733	7.2
283.14142	1.7
284.11572	12.5
285.12323	44.6
286.12943	2.8
287.14090	3.2
289.15619	2.0
291.11185	17.1
292.11890	4.6
293.09518	3.3
293.12750	18.3
294.13159	2.0
295.10800	5.1
295.14255	3.5
296.11478	7.8
297.12311	66.6
298.13083	5.1
299.13962	8.7
307.10724	4.5
309.12234	23.2
310.13159	4.7
311.10284	8.7
311.13913	4.7
313.11743	3.0
319.10822	11.9
321.12350	13.2
323.10278	15.6
324.10886	2.4
325.11768	27.9
326.12479	4.3
327.13361	13.8
328.14166	2.2
329.15314	2.1
330.16260	2.0
337.11783	62.0
338.12366	6.8
339.13440	8.8
341.11536	2.7
343.12799	3.1
355.12833	3.3
357.14502	14.5
369.14343	7.3
370.14960	2.3
371.16052	1.9
372.16986	4.3
373.14041	3.2
388.16132	2.6
390.18051	3.0
400.16324	4.0
402.18173	5.0
404.19672	3.3
414.18008	2.6
418.17371	2.8
422.20444	3.5
430.17587	7.8
432.19202	10.0
442.17770	2.4
444.19171	2.5
446.20847	7.0
448.18655	24.2
449.19308	18.2
450.20279	14.3
460.18735	16.1
462.20010	5.0
463.21091	2.9
472.18695	2.2
474.20596	4.1
476.17917	5.4
477.18912	8.9
478.19485	5.1
480.21176	3.3
487.16760	6.3
490.19629	33.0
491.20096	5.8
492.21387	8.8
522.22327	13.4
523.22644	4.0
594.24292	2.4
595.25385	10.2
608.25433	2.1
611.23669	2.3
612.25647	4.4
613.26508	100.0
614.26831	8.9
634.23877	2.7
636.24738	2.7
645.29144	11.6
652.24902	15.6
653.25641	11.3
654.26068	6.2
684.27454	9.4
685.27716	6.4
757.29852	2.9
775.31738	27.1
776.31311	4.4
783.86395	2.0
807.33936	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	807.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67253	0.7
67.05489	1.0
69.03420	3.0
70.58698	1.1
73.02899	0.9
79.05508	1.6
81.03410	0.9
82.06595	1.4
82.16939	0.7
85.02900	4.0
91.05487	1.3
93.07030	1.6
94.06573	4.8
95.07350	2.2
96.08127	5.4
97.02882	2.0
97.06523	0.9
106.06553	1.9
107.07315	1.3
108.08115	13.0
110.09663	8.1
116.04958	1.5
118.06502	1.6
118.25864	0.7
120.04439	1.7
120.08093	10.0
122.06042	10.2
122.09656	3.5
124.07563	6.2
132.08109	1.3
134.06017	1.9
135.91154	0.8
136.07565	23.8
137.08246	0.7
138.05481	1.1
138.09120	13.9
144.04453	2.4
144.08101	1.3
146.05983	7.1
147.06296	0.7
148.07559	15.7
150.09135	10.3
152.05823	1.1
152.07053	20.9
160.03888	1.3
160.07599	1.6
162.05460	3.0
164.07053	4.7
166.08620	38.0
167.08965	1.1
172.03934	16.6
172.05327	1.2
174.05519	1.8
174.09158	1.8
176.07091	2.8
178.05022	0.7
182.08168	1.2
190.04971	16.0
197.10693	1.8
198.11554	3.0
204.06531	22.0
204.08311	1.5
209.10733	1.6
210.11507	3.9
211.12346	5.8
212.13043	3.2
213.10257	1.2
218.08066	1.2
221.10669	0.8
223.08725	1.1
223.12247	4.3
225.10182	6.6
225.13785	1.9
226.10947	4.2
227.11803	4.3
229.09763	1.9
229.13271	1.5
235.08742	1.6
235.12221	1.7
236.09291	1.3
237.10167	7.7
237.13840	1.1
238.10924	7.1
239.11755	8.8
240.12431	0.8
241.09587	1.0
241.13283	1.8
243.11302	1.7
246.07588	2.2
247.12091	0.9
248.09386	1.8
249.10201	5.7
250.10895	5.4
251.08058	1.3
251.11790	12.4
252.08926	1.9
252.12560	3.0
253.09683	2.6
253.13405	5.2
254.10529	1.0
255.11320	4.3
256.12064	2.3
257.12747	1.9
259.14398	1.7
262.11053	2.7
263.08994	1.5
263.11752	12.9
264.08966	3.1
264.12546	2.8
265.09854	5.6
265.13193	7.8
266.10471	4.8
267.11264	19.1
268.11920	3.0
269.12802	6.4
269.36771	0.8
271.10815	2.1
271.14380	5.8
273.12369	2.2
275.11780	1.3
277.09763	3.0
277.12970	1.4
278.10464	2.8
279.11255	24.4
280.11862	4.9
281.12772	10.7
282.09891	1.1
282.13547	1.7
283.10825	4.2
283.14035	1.4
284.11493	9.4
285.12326	37.0
286.12769	1.5
287.13925	1.7
289.15347	1.7
291.11288	11.6
292.11960	3.3
293.09186	2.4
293.12827	11.0
294.13361	0.8
295.10745	3.0
296.11560	4.3
297.12314	42.4
298.12933	3.5
299.13898	5.9
307.10641	2.9
309.12262	16.0
310.12967	4.9
311.10245	5.8
311.13931	4.2
312.11005	0.9
313.11758	3.0
315.13522	1.1
319.10745	7.7
321.12311	11.4
323.10291	10.1
323.13821	1.5
324.10956	1.7
325.11798	21.3
326.12347	2.2
327.13303	11.4
328.14105	0.9
329.15033	1.5
337.11795	43.5
338.12363	3.2
339.13428	6.6
343.12814	3.0
346.19012	1.2
351.13498	1.4
355.12888	1.9
356.13742	0.9
357.14456	9.9
358.15173	2.1
359.15759	1.4
367.12619	1.3
369.14371	1.9
371.16107	2.2
372.17053	2.5
374.18756	1.4
376.16080	1.2
385.13712	2.1
386.18658	1.2
388.16354	1.3
390.18057	2.2
399.15359	1.7
400.16431	3.2
401.17252	2.0
402.17984	2.4
404.19855	4.0
412.16458	2.3
414.18188	2.1
416.19736	1.8
418.17047	2.0
420.19064	1.1
421.19894	1.2
422.20654	2.4
430.17535	7.4
431.18393	1.3
432.19022	6.9
434.20908	1.1
436.18457	1.7
442.17850	1.7
444.19318	1.5
446.20563	3.1
448.18631	23.7
449.19409	12.5
450.20154	12.2
459.17673	0.9
460.18613	15.6
461.19034	1.6
462.19913	3.9
463.20782	1.4
472.18320	1.3
474.20441	3.6
476.17868	5.0
477.18900	8.4
478.19354	5.3
480.21341	1.8
487.16946	5.1
489.18433	1.7
490.19708	29.8
491.20276	2.8
492.21179	9.0
493.22220	0.9
522.22369	10.4
523.22778	2.4
543.04169	0.8
567.26019	2.2
594.23999	2.5
595.25397	9.6
608.25427	1.5
611.24353	3.6
612.25458	5.9
613.26501	100.0
614.26746	8.8
634.23395	2.2
636.24567	1.4
641.35217	0.8
645.29028	10.8
652.24884	18.5
653.25635	11.7
654.26263	4.7
684.27618	6.2
685.28516	4.7
690.28314	0.9
757.30457	1.8
775.31750	29.2
776.31781	2.8
807.33527	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	808.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94532	18.7
67.05504	93.5
69.07069	37.2
79.05486	94.0
81.07051	69.1
86.38033	17.1
91.05473	66.6
93.07056	100.0
95.08612	87.9
105.07034	61.3
107.08593	63.5
119.08559	57.9
121.10154	55.5
131.08559	24.5
133.10124	67.1
135.11719	53.3
145.10126	27.4
147.11699	40.0
149.13301	22.8
159.11668	31.7
161.13261	28.7
173.13184	23.7
240.57755	17.9
241.19550	30.5
259.20581	75.5
309.41299	21.5
326.32843	18.7
333.24194	57.3
335.25781	94.5
395.90067	19.8
480.91885	22.2
543.80115	22.1
611.46490	45.8
612.47327	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	809.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05896	0.4
59.77515	0.4
61.02905	0.4
67.05496	0.8
69.03439	0.4
69.07076	0.4
69.33073	1.8
73.02905	0.7
75.71279	0.4
78.46575	0.4
79.05497	0.7
81.07066	0.8
85.02850	0.5
91.03928	0.5
91.05486	0.5
92.81971	0.4
93.07051	0.6
105.07040	0.4
119.08635	0.5
145.10286	0.4
160.85880	0.4
185.04289	1.3
189.00758	0.4
203.05289	0.9
209.18448	0.4
243.08517	1.5
294.45328	0.4
347.09457	4.0
365.10645	1.4
405.13419	2.5
429.26016	4.5
485.28708	2.9
555.24536	0.4
619.34802	0.6
647.33917	19.8
648.33966	1.3
652.31378	0.6
809.39185	100.0
810.39587	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	809.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41903	0.4
64.45735	0.5
69.27278	1.2
69.27686	1.3
69.95930	0.5
75.39510	0.5
85.02898	0.6
89.77258	0.4
105.06974	0.6
185.04149	0.9
203.05264	1.6
243.08386	1.3
347.09485	4.0
365.10675	1.8
405.13599	2.7
429.25977	3.4
485.28757	2.9
647.23132	0.9
647.33929	17.8
648.33990	1.6
809.39130	100.0
810.39722	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	809.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.8
61.02921	4.8
67.05506	4.4
69.03436	4.7
69.07059	3.1
71.04977	1.4
73.02910	3.1
78.76390	1.1
79.05491	4.7
81.03426	4.6
81.07051	5.3
83.08640	1.4
85.02906	4.0
91.03971	2.8
91.05495	3.6
93.07043	3.8
95.04959	1.6
95.08582	1.5
95.88438	1.2
97.02857	6.0
97.06525	1.3
99.04475	1.3
105.07039	2.4
107.04977	1.4
107.08575	2.4
109.10167	1.4
119.08618	1.6
121.10157	2.0
133.10165	1.2
137.64584	1.1
147.11711	2.5
149.09595	1.9
152.42633	1.1
223.13266	1.7
243.08395	5.6
283.15192	2.3
291.19485	1.7
339.17996	1.3
351.17691	1.3
501.23019	13.7
549.26483	6.3
809.42792	100.0
810.42969	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	810.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.0
59.84021	0.6
67.05496	2.2
69.03415	0.8
70.63194	0.8
83.04974	40.2
85.02899	84.5
86.03278	0.7
89.03915	1.0
97.02852	0.8
109.02854	1.4
111.04433	22.5
111.42936	0.5
116.28149	0.6
117.03369	1.8
127.03893	4.9
128.35976	0.5
129.05472	12.1
145.02844	6.3
171.06511	100.0
172.06885	1.8
177.05458	13.9
231.08621	5.2
343.38705	0.6
381.11783	4.0
528.73816	0.6
585.03973	0.5
611.19147	1.7
618.98627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	3.6
67.05510	1.5
67.56986	0.5
67.78313	0.6
69.03429	2.4
70.98234	0.8
75.04480	1.6
77.03927	1.4
78.04714	1.8
79.05486	3.3
81.03410	1.7
81.38334	0.6
83.44198	0.6
85.02908	3.5
90.61839	0.5
91.05478	9.9
93.03397	8.0
93.07037	2.5
95.04963	11.8
97.02897	2.9
97.06510	1.4
99.04446	1.0
103.05460	38.6
104.05837	0.6
105.04522	2.2
105.07036	6.7
106.04169	12.7
107.04954	12.4
108.02103	0.8
109.06528	1.7
110.03654	2.4
111.04443	3.5
115.05420	4.8
117.03397	0.6
117.07012	2.2
119.04939	5.4
119.08589	2.3
121.02847	1.7
121.06499	14.1
122.03666	1.0
123.04418	10.1
124.05221	1.8
124.84459	0.6
125.05979	7.7
128.06233	1.3
129.06999	1.3
131.04918	96.2
132.05646	1.3
133.02866	1.0
133.06476	8.0
134.03662	2.2
135.04419	3.1
135.08070	1.1
136.05139	1.1
137.05956	9.4
139.07530	2.9
143.04935	1.9
145.06479	3.1
147.04390	5.7
147.08043	4.2
148.05173	1.7
149.05066	0.4
149.05963	24.0
151.03905	24.4
151.05025	2.1
151.07555	1.9
152.04669	2.2
153.05461	7.7
153.09087	6.2
155.05952	0.8
155.07127	0.7
157.06456	1.6
159.04404	5.6
160.05188	2.9
161.05986	8.1
162.07607	1.3
163.03870	2.8
163.07527	36.8
165.05479	2.0
166.06274	0.7
167.07027	78.2
168.07428	1.3
171.04317	1.5
173.05966	2.6
174.06743	0.6
175.07538	4.4
176.04645	1.1
177.05450	14.8
177.06952	0.9
179.07028	10.6
180.08739	0.9
181.04997	4.0
181.08578	13.9
183.06560	1.5
183.08023	0.7
187.03883	4.1
187.07576	1.0
189.05423	3.1
191.06960	3.5
193.04927	0.9
193.06665	0.6
193.08600	2.5
195.06546	2.0
197.06128	0.8
197.08069	1.8
203.07014	10.8
205.08606	1.5
207.06508	48.4
208.06894	1.7
209.08069	100.0
210.08324	2.2
211.07597	0.8
219.06496	24.9
220.07169	1.9
220.88887	0.7
221.08055	27.1
222.08403	1.1
225.07547	1.6
231.06374	0.8
233.08089	1.8
235.07385	0.8
235.09540	1.0
237.07494	6.1
242.05675	0.7
251.09128	1.7
253.08569	0.8
257.08005	1.4
279.08591	7.7
283.09396	0.7
285.07437	2.0
289.10623	6.3
295.09595	1.1
307.09506	1.3
311.09357	0.7
317.10229	4.7
323.09122	3.2
325.10657	1.1
343.11728	0.9
353.10034	1.3
354.10855	0.9
355.11777	5.9
357.13165	1.0
367.11533	1.3
371.11066	2.6
385.12439	3.6
403.13831	18.8
404.14172	1.3
533.43970	0.7
595.20886	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	7.5
57.84691	3.5
61.99520	4.2
70.06560	6.6
72.36960	4.2
88.07617	11.1
90.37595	3.8
93.48535	4.1
100.76505	3.5
106.08659	6.9
116.08538	4.0
132.70229	3.8
158.30905	4.0
191.16203	4.0
302.30505	100.0
421.08154	4.4
496.70416	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	811.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.1
57.27324	0.7
59.04994	0.8
61.02923	5.4
62.23927	0.6
67.05506	5.0
69.03423	4.1
69.07069	2.8
71.04990	2.5
71.15778	0.6
73.02891	3.3
79.05481	4.0
81.03423	5.1
81.07044	4.8
83.05003	1.3
83.08604	0.8
85.02894	4.7
91.03965	2.9
91.05470	4.2
91.06562	0.6
93.07025	3.8
95.04970	1.9
95.08609	1.8
97.02879	4.1
97.06532	1.0
98.23508	1.6
99.04429	0.8
101.02402	1.5
105.07037	2.7
107.08604	2.7
109.02927	0.6
109.10127	1.3
117.07013	1.0
119.08598	2.6
121.10155	1.6
122.66021	0.6
127.03905	1.4
129.06975	0.8
131.08553	1.7
133.10173	2.2
135.11694	0.8
147.11723	1.9
149.09653	2.1
151.11235	0.7
157.10167	1.5
164.56462	0.6
175.11192	1.1
193.12253	0.9
243.08514	2.9
267.15985	0.9
283.15128	3.5
301.08829	0.9
333.20621	0.9
339.17914	1.0
349.19659	1.1
365.53662	0.8
439.19366	0.8
453.20941	0.8
469.20322	1.1
485.23602	1.4
501.23016	11.8
502.23428	0.9
551.28302	6.3
721.36902	0.9
811.44397	100.0
812.44824	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	812.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	2.9
61.02903	2.1
64.40254	1.9
67.05499	6.8
69.03408	2.9
69.07066	6.8
69.09259	3.8
69.09646	11.3
72.63639	1.9
73.70097	1.9
74.28121	1.9
77.96452	1.9
79.05489	8.9
81.07051	19.3
83.04967	6.7
83.08605	2.5
83.24927	1.7
85.02891	9.2
85.47634	1.8
89.93443	2.0
91.05473	10.1
93.07034	18.9
95.05000	3.3
95.08598	35.0
97.02847	3.4
97.10163	4.4
97.49419	1.8
98.22694	3.7
99.04432	2.7
103.03957	9.2
105.07027	25.0
105.86150	2.2
107.07925	3.0
107.08586	33.9
109.02835	2.6
109.06535	2.7
109.10137	21.3
111.08058	2.3
117.06991	2.6
119.08572	44.6
121.10133	29.4
123.11686	9.6
125.09631	6.6
127.03907	7.0
129.07008	2.5
131.08575	15.4
133.10130	36.6
135.08035	2.7
135.11681	16.7
137.09581	2.3
143.08562	10.4
145.04942	4.0
145.10103	35.2
147.11702	14.6
149.09636	3.4
149.13191	9.8
153.09171	3.0
157.10164	6.2
159.11696	23.4
161.13260	13.3
163.03822	2.5
163.06046	2.8
163.11205	2.5
163.14796	13.3
169.10127	2.1
171.11696	6.9
173.13252	17.4
175.14821	17.2
177.12837	2.4
177.16333	19.4
183.11659	2.9
185.13252	3.7
187.14804	36.9
187.16341	3.6
189.16360	43.0
189.65729	1.9
191.14281	7.8
191.17896	12.3
197.13249	2.5
199.14796	9.7
201.16362	44.8
201.18124	3.5
203.14262	3.5
203.17932	16.2
205.15817	13.7
205.19435	1.9
211.14728	2.3
213.16362	22.8
215.17935	18.3
217.15935	11.4
217.19452	6.4
219.17459	21.4
223.14774	2.3
227.17892	5.5
229.19514	3.6
233.18987	4.9
235.16919	12.3
241.19489	4.5
243.20866	2.3
247.16942	9.3
249.18573	2.8
255.21069	4.6
257.22571	1.9
261.18518	7.7
267.20990	7.1
281.22607	2.9
283.23959	3.3
389.32019	11.6
407.33054	65.0
408.33362	2.7
409.34827	11.8
425.33896	4.8
435.32544	26.1
453.33612	100.0
454.33871	5.4
471.34390	7.9
533.04218	2.1
615.38794	26.3
654.64581	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72546	5.5
71.05287	6.8
84.02286	5.6
85.69534	6.3
223.09401	29.5
291.89716	6.2
331.15176	100.0
531.25623	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	813.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.7
67.05489	4.3
69.03420	3.5
69.08015	13.3
73.02894	2.4
79.05486	4.3
81.07047	2.1
84.10332	2.0
85.02911	4.7
86.09717	1.7
91.05471	3.3
93.07041	4.2
97.02904	3.5
105.07064	1.8
107.08533	1.9
180.99547	1.8
184.07347	2.2
184.72769	1.9
194.00890	1.7
219.80479	1.8
400.50620	1.9
519.29456	5.9
535.28888	4.3
620.12817	2.5
701.96039	2.2
813.51025	100.0
814.51404	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	814.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.6
61.02928	3.3
61.09280	0.8
65.03925	1.2
67.05504	3.1
68.99796	3.6
69.03426	30.7
70.01746	2.4
71.01361	2.8
71.04987	3.0
73.02917	3.4
79.05470	1.2
81.03411	32.7
83.01342	1.0
83.04967	7.5
83.08629	3.0
85.02899	63.6
87.00279	1.5
87.00823	29.0
87.04454	1.1
91.03975	1.4
95.04979	3.9
97.02888	31.6
99.04448	12.5
101.02351	2.3
103.03949	4.6
105.01858	23.4
105.02525	1.4
107.04975	1.5
109.02871	44.9
111.00804	1.0
111.04459	5.1
113.02339	1.7
115.03960	1.4
117.01833	1.9
121.02864	1.3
123.04417	6.5
125.02369	3.6
127.03907	70.9
129.01851	3.5
129.05492	1.5
135.04462	1.3
137.02303	1.0
137.05983	1.7
139.03923	3.0
141.05505	1.1
145.04953	11.9
147.02858	1.6
147.04468	1.4
147.06538	1.5
151.03896	6.8
157.10191	2.1
159.02870	7.5
160.93230	0.8
165.05479	3.4
165.06851	0.8
167.08578	2.3
169.04955	9.2
171.02916	3.3
175.03932	1.0
181.05016	1.2
181.10143	1.1
183.08121	1.2
185.09644	2.2
187.06026	6.9
189.03923	10.4
189.05449	1.3
193.04909	4.7
195.02946	1.3
195.08040	8.5
195.11784	2.0
197.09639	1.0
198.06818	1.3
207.11667	1.1
209.09651	3.3
209.13213	0.9
211.06033	1.4
213.03951	10.5
213.09094	55.1
214.09499	1.7
217.05034	1.4
221.09610	1.3
222.10405	1.4
223.11052	5.6
224.11938	1.8
227.10683	3.4
229.07166	1.2
231.05000	16.6
231.10039	1.0
233.06534	1.5
235.06067	2.9
235.11133	1.2
236.11984	2.0
237.09169	1.3
237.12755	1.7
237.16354	1.9
240.11536	3.6
245.82475	1.1
249.06035	4.7
250.13615	1.0
253.06979	1.0
253.12160	1.1
253.15837	1.4
255.05032	3.6
255.13783	14.7
255.17374	4.9
265.15903	15.4
268.14423	1.3
269.06662	1.2
273.06039	32.9
277.15738	1.3
281.15375	4.0
283.16910	100.0
284.17261	3.6
289.15894	1.0
291.07098	0.9
295.16983	2.9
297.06140	1.3
299.16431	5.0
301.17963	99.1
302.18246	2.9
307.16919	5.3
315.07098	3.6
321.05957	1.1
325.17966	10.2
337.17822	1.0
339.07114	6.1
343.18948	6.5
349.18134	1.0
351.15750	1.0
357.08081	4.7
367.19064	1.7
373.17953	1.7
391.19019	2.0
443.08286	4.9
461.09344	7.5
465.13962	0.9
479.10165	1.0
495.20212	5.6
513.21051	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	816.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87408	1.2
65.03936	5.5
68.05037	1.3
69.03426	1.3
69.07079	2.0
70.06588	33.7
71.40993	1.3
73.42761	1.0
74.20222	1.0
79.05501	3.6
81.03419	2.1
83.04992	5.0
85.02885	1.6
89.03931	1.9
91.05457	6.8
93.03400	5.3
93.07066	1.7
95.04977	2.0
97.06549	3.7
99.04436	1.2
103.05492	2.3
105.03408	4.0
105.07022	6.6
107.04954	6.9
111.04430	20.8
111.05151	1.4
115.05431	8.5
117.07018	11.3
119.04954	1.9
119.08635	1.5
121.06535	3.6
123.04464	1.8
125.05969	5.5
125.26726	1.1
127.03918	1.3
128.06248	5.0
128.90050	1.1
129.07004	3.2
131.04953	4.9
131.08594	1.6
133.06476	9.6
135.04398	12.9
137.02319	9.1
137.05994	3.4
139.03880	16.0
143.04910	8.8
143.07083	3.9
143.08591	2.3
144.08197	1.2
145.02855	2.1
145.06461	23.2
145.07547	1.3
145.10135	4.4
147.04434	4.8
147.08072	1.8
149.02354	4.5
151.07484	1.4
153.05527	2.4
153.06996	1.7
155.04938	8.0
155.06017	2.1
157.06511	4.1
159.04391	4.9
159.08012	1.5
159.11771	3.2
161.05969	18.7
162.09157	2.0
163.03908	7.9
163.11198	1.9
165.06947	7.0
169.06505	1.7
171.04407	11.7
171.08026	2.6
172.07597	2.5
173.05971	29.2
173.09633	2.7
175.03940	4.0
175.07549	2.8
177.05548	3.3
177.07080	1.5
181.05055	2.5
181.06473	2.2
183.04401	8.9
184.05167	1.7
185.06071	3.3
187.03868	11.6
187.07607	1.6
187.11079	2.4
188.07085	2.6
189.05424	21.6
190.06223	1.8
190.08659	3.1
191.03412	3.1
191.06995	5.8
191.10779	1.5
192.04214	4.9
193.06525	6.1
195.08124	2.5
197.05986	4.0
199.03889	8.8
200.07152	4.7
201.05446	37.1
202.06233	1.5
203.03400	2.9
203.07114	2.8
205.04988	2.8
205.06548	8.5
205.08636	3.7
205.12340	3.1
207.06491	31.5
208.09705	3.5
209.04317	1.4
211.03905	6.2
211.07561	4.1
215.07121	4.5
215.10713	2.6
216.06543	6.3
217.05029	11.7
217.07368	6.9
218.08195	4.7
219.06528	13.9
219.08508	2.0
221.03859	2.5
221.05974	37.8
222.06586	1.5
223.07530	27.0
223.09557	2.3
225.05450	27.1
226.06021	1.4
228.06671	4.3
229.04922	13.5
231.06454	8.2
231.08537	1.8
233.06006	12.0
233.08167	8.4
233.11592	5.9
234.07597	3.8
236.09116	2.6
239.06992	10.3
241.08513	1.7
243.06526	1.5
244.06065	2.4
246.07640	6.1
247.06044	1.5
248.09248	3.1
249.05521	34.0
249.07697	9.7
250.06113	3.2
251.07010	28.0
251.12859	1.6
252.07475	1.2
253.04947	18.1
255.06531	5.6
259.03864	1.6
260.09293	4.8
261.05371	1.9
261.07629	9.7
262.07208	1.4
264.08820	1.8
267.06448	15.8
268.07318	1.9
269.05191	2.0
269.07904	9.4
271.06140	1.6
272.05582	2.0
276.08725	8.7
277.04941	27.2
277.07788	1.5
278.05707	5.2
278.10162	22.2
279.06500	10.4
279.09378	1.4
281.04468	3.6
285.07648	1.8
287.05603	5.3
294.05002	1.4
295.05984	89.9
296.06421	3.6
296.11258	22.9
297.07553	5.6
311.12781	2.9
313.07156	2.2
323.05487	10.1
341.06613	2.4
343.15329	6.7
446.53119	1.3
592.18115	4.0
618.16028	62.8
619.16309	3.5
636.17041	76.8
637.17456	4.1
816.21204	100.0
817.21527	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	816.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	8.4
69.27266	4.1
70.06584	7.3
79.05501	2.1
81.03412	1.4
84.26033	0.8
85.02926	1.2
89.03947	1.0
89.67676	0.7
91.05475	9.5
93.03403	13.8
95.04987	1.8
97.09029	1.0
98.22681	1.9
105.03394	2.4
105.07050	2.1
107.04945	12.2
111.04433	33.6
115.05453	6.5
117.07000	8.5
119.04974	3.1
123.04410	1.6
128.06219	5.9
129.07007	3.7
131.04985	1.5
131.08588	0.9
133.06497	4.6
135.04408	35.9
136.00507	0.8
137.02315	4.2
137.05960	2.2
139.03891	63.2
143.04921	5.2
143.08563	2.3
145.06483	17.9
147.04443	3.1
153.05655	1.0
153.07047	1.3
155.04916	10.4
155.06039	1.6
157.06555	2.4
159.04515	2.3
159.08003	1.4
161.05974	8.2
161.09697	0.9
162.09148	1.4
163.03896	18.4
165.06952	4.8
167.08527	0.9
169.06508	1.0
170.76942	1.0
171.04391	7.5
171.08066	2.5
172.05275	1.2
172.07663	2.5
173.05959	27.7
175.03862	2.2
175.07597	0.8
177.05470	2.1
177.06996	1.7
181.04953	25.3
181.06392	2.0
183.04407	12.4
184.05151	1.7
184.07288	1.0
185.05962	1.8
187.03908	9.3
187.07622	2.8
189.05446	9.0
190.06181	0.9
190.08731	1.7
191.07013	4.6
192.04182	1.8
193.06386	4.3
197.06076	2.2
199.03961	4.6
200.07158	3.7
201.05460	35.2
202.06163	2.8
203.03352	10.1
203.06943	1.2
205.04895	1.3
205.06555	7.3
205.08534	1.8
207.06500	12.2
208.09689	4.7
211.03911	6.9
211.07486	1.7
213.01802	1.1
215.06989	5.5
217.04973	5.0
218.08105	1.3
219.06679	5.1
219.08630	1.4
221.04140	1.4
221.06024	18.6
221.08044	1.5
222.06624	0.9
223.07533	13.1
225.05450	9.7
228.06546	5.4
229.04930	16.0
229.07063	0.9
231.02901	1.8
231.06450	5.4
233.06017	11.0
233.08171	9.5
236.09250	2.5
239.06950	6.1
243.06653	1.6
246.07549	5.0
249.05530	21.5
249.07703	7.2
250.06342	2.2
251.07036	13.9
252.04208	1.8
253.04980	11.2
254.05518	1.0
255.06471	4.0
259.03821	1.2
260.09335	3.0
261.05368	2.5
261.07693	9.5
264.08859	0.9
267.06467	11.1
268.07233	2.0
271.05875	1.4
277.04935	21.2
278.05652	2.6
278.10223	38.5
279.06470	17.2
279.09573	0.9
281.04443	9.5
284.03088	1.2
295.05991	49.2
296.06128	2.8
296.11267	100.0
297.07846	2.3
297.11734	3.0
298.13040	1.4
305.04547	3.5
313.07211	3.4
323.05469	41.0
324.05777	1.3
341.06519	3.7
424.29263	0.8
493.11359	1.5
521.10779	7.9
538.11902	0.9
592.18268	6.5
618.16162	1.1
636.17053	34.4
637.17603	2.2
766.82928	1.0
816.21246	67.7
817.21466	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	816.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.8
61.02926	0.7
63.69632	0.2
65.03936	0.7
67.05496	2.1
69.03427	1.3
70.67928	0.2
70.68263	0.2
71.01347	0.2
71.04978	0.3
71.68224	0.2
79.05503	0.3
81.03419	1.2
83.04977	46.3
84.05300	0.6
85.02898	100.0
86.03217	0.6
87.04474	1.1
88.10020	0.2
91.05486	1.7
95.04962	0.4
97.02890	0.7
99.04451	1.0
101.06020	0.6
103.03977	0.4
103.05465	0.3
105.07023	0.3
109.02843	2.5
111.04436	27.9
112.04765	0.4
115.05399	0.3
117.67815	0.2
119.04930	1.0
121.08479	0.2
122.03651	0.2
127.03910	7.0
127.04866	0.4
129.05470	13.1
131.04909	0.5
133.02788	0.3
135.04422	0.7
137.05959	2.7
143.08559	0.3
145.06377	0.3
147.04337	0.4
147.08006	0.5
149.05927	0.5
151.03896	0.8
151.07524	4.0
153.05417	0.5
157.06480	0.3
159.10141	0.2
160.05161	0.5
161.05988	0.7
163.03903	0.5
163.07564	0.5
165.09093	0.4
168.69284	0.2
169.05023	0.2
171.06511	74.1
172.06837	1.2
175.07527	3.2
177.05530	0.3
179.07036	0.7
181.05013	0.3
181.06496	0.3
187.05988	0.7
187.07410	0.4
189.09079	0.8
191.07008	0.6
193.08565	1.2
197.06029	0.3
199.07520	0.6
201.09134	0.2
203.06973	1.1
205.06918	0.4
205.08615	0.9
207.93559	0.2
213.09129	0.7
215.07059	0.7
217.08582	1.2
227.07071	0.3
229.08665	0.4
231.08563	13.4
233.08076	0.3
235.09561	0.6
241.08533	0.7
257.07993	0.6
259.09616	4.6
275.09256	0.3
277.10657	1.7
283.09625	0.3
291.83728	0.2
295.06244	0.2
301.10641	0.5
303.12213	0.2
311.12750	1.1
319.11734	1.6
329.13663	0.2
335.10916	0.2
337.12762	0.9
379.13638	0.5
427.17609	0.2
437.15839	0.2
455.16772	0.4
585.21436	0.4
633.47986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
61.02925	0.9
65.03938	0.9
67.05511	2.1
69.03426	0.8
69.31114	0.8
69.31529	1.4
71.04996	0.8
79.05413	0.4
81.03408	1.3
83.04974	44.3
84.05308	0.6
85.02898	100.0
86.03223	1.3
87.04462	0.8
91.05474	0.5
92.22063	0.4
92.91636	0.4
97.02887	0.9
98.23427	1.0
99.04431	0.9
103.02738	0.4
103.05454	0.5
104.10701	0.4
109.02852	2.2
110.41337	0.4
111.04430	28.9
119.04915	0.7
122.03617	0.8
127.03901	7.4
129.05467	12.4
129.06934	0.5
129.88173	0.4
131.04947	2.0
132.58778	0.4
137.05969	16.6
143.04910	0.7
145.02850	0.6
149.05904	0.5
149.07468	0.8
151.07503	3.0
153.05482	0.4
157.06467	0.9
159.06531	0.8
161.05957	0.4
163.03828	0.6
163.07524	4.3
165.09004	0.4
171.06511	74.2
172.06827	1.3
175.07489	1.5
176.04617	0.5
177.05438	0.9
179.07002	0.8
187.07462	0.6
189.09064	1.1
191.08531	1.0
207.08031	0.8
219.08026	2.0
220.86139	0.4
231.08615	18.0
235.07416	0.6
247.07599	0.9
251.10561	1.4
253.08511	0.5
264.07840	0.7
265.08527	0.5
267.10175	1.0
277.32043	0.4
279.10226	4.4
280.10632	0.8
299.12769	3.6
301.14365	0.4
311.12741	4.8
313.14267	2.3
321.11243	0.4
323.12741	0.4
329.13831	2.2
353.13568	0.5
357.10638	0.4
409.16150	0.5
419.14264	0.4
421.46185	0.5
427.17242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	6.5
61.02922	4.9
67.01883	0.7
67.05496	3.4
68.22095	0.7
68.39217	0.6
68.99784	5.5
69.03419	47.7
69.07059	1.3
70.08942	1.8
71.01341	3.4
71.04987	5.5
73.02920	5.4
73.04534	0.6
76.17714	0.6
79.05492	1.3
81.03407	43.0
81.07026	1.3
83.01335	2.3
83.04964	6.7
83.08618	0.8
85.02894	100.0
87.00816	41.8
91.05470	0.9
95.01313	1.0
95.04967	4.0
97.02880	42.4
97.10149	1.1
99.04443	17.2
101.02366	2.8
103.03928	4.7
105.01853	41.7
107.04944	1.8
108.04480	1.3
109.02866	61.3
111.00788	1.1
111.04435	8.6
113.02353	1.4
115.03918	2.0
117.01834	2.7
119.04910	1.2
121.02793	1.1
123.04420	8.0
123.11710	1.6
125.02338	5.6
127.03898	99.3
128.04248	0.8
129.01810	6.1
129.05478	2.5
133.06464	2.4
135.04391	1.7
137.05983	1.8
139.03867	3.8
141.05437	1.1
143.03394	0.8
145.04935	21.7
145.06534	0.9
147.02855	4.3
147.04401	1.2
147.06522	1.8
147.08032	5.0
149.02316	0.8
149.05981	0.7
149.09598	7.8
151.03889	8.8
153.01775	1.2
159.02870	14.3
159.08022	3.1
161.05965	1.1
161.09552	0.9
163.03871	1.6
163.11176	0.9
165.05513	3.8
169.04927	12.7
171.02911	4.4
173.09612	1.1
175.03886	1.7
175.11143	2.4
177.03915	1.2
181.04962	2.0
186.53009	0.8
187.05951	8.6
187.11140	2.3
189.02299	1.2
189.03929	15.7
189.05479	1.8
189.12712	12.0
193.04948	9.4
195.02901	1.8
201.12695	9.1
203.14287	1.2
207.06425	0.9
211.05992	4.3
213.03894	20.0
215.05440	1.5
215.14290	4.3
217.04976	1.2
229.06947	1.4
229.15826	2.8
231.04958	36.8
232.05228	1.0
233.06566	3.0
235.05957	5.2
243.17377	3.9
247.04526	1.2
249.06018	12.6
253.06978	3.2
255.04929	4.3
269.06482	1.6
271.08047	1.0
273.06006	61.5
274.06314	1.3
279.05014	0.9
285.22089	31.5
291.06927	1.9
297.05966	2.5
299.04056	0.8
315.07025	8.6
321.05927	2.4
333.08072	1.9
339.07007	10.9
357.08084	8.8
375.09024	1.0
425.06985	1.6
443.08148	7.4
461.09155	8.8
479.10181	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	816.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.8
57.07063	1.8
59.50278	1.5
61.02922	2.2
62.25504	1.4
62.44478	1.2
67.05504	3.1
68.99784	3.1
69.03424	26.1
69.07052	10.5
69.58435	4.9
70.22878	1.2
71.05006	1.4
73.02926	2.7
81.03407	22.7
81.03841	1.9
81.07049	2.6
83.04975	3.8
83.08620	4.8
85.02399	3.0
85.02897	47.2
85.03414	2.3
87.00819	20.0
91.05476	2.0
95.04967	2.6
97.02885	25.6
97.10162	3.9
99.04442	7.7
101.02393	2.1
103.03926	3.1
105.01854	22.2
106.19292	1.3
107.04967	2.2
109.02865	32.4
109.03547	2.3
109.10172	1.7
111.04437	4.2
117.01810	2.1
121.06467	1.3
123.04437	5.6
123.11699	2.2
125.02324	2.8
127.03903	57.7
128.04248	1.6
129.01874	2.8
131.08568	2.2
133.06494	7.9
135.04422	2.6
137.05930	1.7
137.63367	1.5
139.03905	2.1
145.04959	12.6
145.06389	8.6
147.04419	1.8
147.08035	15.6
149.09599	12.3
151.03891	5.3
157.06430	1.9
159.02939	4.1
159.08044	16.7
161.09630	6.2
163.03918	3.5
163.11191	1.7
165.05406	1.6
169.04953	6.9
171.02930	3.1
173.09575	6.2
175.03828	1.5
175.11172	14.8
186.10370	2.4
187.06046	4.7
187.11163	13.9
189.03941	12.2
189.05464	2.2
189.11017	1.4
189.11319	0.9
189.12720	42.1
193.04939	3.8
201.12723	49.6
201.14587	2.4
203.12518	1.3
203.14357	7.5
211.05936	2.8
213.03958	12.5
215.14279	15.1
229.15871	7.9
231.04941	19.6
233.06557	2.0
235.06009	4.6
243.17432	8.8
249.06029	6.5
253.07088	2.4
255.04987	3.0
273.06012	39.1
285.22095	100.0
286.22607	4.4
297.05859	1.5
315.07034	3.9
339.06927	6.7
357.08069	4.5
417.53073	1.3
443.08325	6.0
461.09201	8.0
479.10056	2.9
496.99783	1.5
816.44037	1.9
822.88678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.0
57.07069	1.3
60.28078	0.8
61.02917	3.8
62.66938	0.8
65.03937	1.0
67.05490	6.8
69.03424	26.5
69.03800	1.4
69.07065	6.6
71.01364	2.5
71.04989	1.7
73.02914	11.0
73.76274	1.0
77.03905	1.0
79.05488	7.3
81.03416	5.3
81.07052	15.0
83.04977	34.8
83.08602	2.3
84.05309	1.0
85.02900	26.6
87.04459	2.0
91.05477	8.9
93.07040	14.4
95.04976	9.9
95.08602	25.7
97.02886	21.9
97.06525	2.5
97.10172	1.7
98.23518	1.5
99.04446	7.0
103.03913	1.7
105.07023	24.4
107.04948	1.1
107.08592	20.4
109.00139	0.9
109.02879	1.9
109.06504	3.7
109.10149	12.9
111.04434	26.0
111.05160	1.6
111.08115	1.9
115.03933	8.0
115.61497	1.0
117.07025	4.0
119.04925	1.4
119.08576	32.8
119.09424	1.9
121.06491	2.0
121.10139	16.6
123.08051	2.0
123.11722	4.1
125.06013	1.1
127.03929	7.3
128.06223	1.2
129.05484	3.0
129.07013	3.1
131.08549	13.3
133.04945	8.1
133.06563	0.9
133.10127	24.0
135.04437	1.1
135.08031	2.1
135.11662	7.2
137.05951	2.7
137.13266	2.0
139.07556	1.6
141.06935	1.1
142.07831	1.5
143.08566	9.1
144.09315	1.3
145.04964	6.6
145.10118	20.8
147.04382	1.6
147.08022	3.2
147.11676	20.3
149.05977	1.4
149.09610	2.1
149.13239	8.7
150.07663	1.0
151.07521	1.4
151.11205	1.2
153.09070	3.2
155.08479	2.0
156.09354	1.0
157.10095	12.6
159.11679	15.4
161.09621	3.6
161.13245	13.8
163.03932	3.4
163.06013	2.1
163.14798	9.8
169.10144	3.0
171.06532	6.1
171.11711	6.9
173.09573	1.7
173.13246	14.2
175.07536	1.6
175.11200	2.8
175.14792	13.2
177.16389	6.3
179.10588	1.4
180.08682	2.1
182.11031	1.0
183.11664	2.3
185.13191	7.5
187.14803	19.6
189.12743	3.7
189.16370	25.2
189.17999	1.7
191.10689	1.1
191.14308	9.5
191.17987	3.4
197.05858	1.0
197.13304	3.9
199.14828	10.9
201.12798	1.9
201.16364	20.4
203.14304	18.8
203.17926	27.4
204.18353	0.8
205.15828	2.5
205.19563	1.9
207.13773	2.7
207.17426	1.6
209.13228	2.0
211.14795	3.3
213.16322	7.8
215.14384	5.7
215.17946	8.1
217.15872	9.0
217.19400	1.4
219.13808	1.5
221.15337	16.1
221.18814	1.0
225.16420	1.7
227.17908	2.3
229.15887	3.5
229.19597	1.8
231.08624	3.5
231.17427	2.2
233.15285	2.8
235.16887	6.1
237.16385	1.1
239.18141	1.3
241.06990	0.9
241.19507	2.7
243.17537	1.3
243.21097	2.5
247.16911	5.4
249.18501	9.4
253.19472	1.2
255.21104	1.4
257.22693	1.1
261.18451	3.7
267.20987	1.1
283.24127	1.2
285.18744	0.9
299.20200	1.1
309.25732	1.2
328.59735	0.9
347.27435	1.0
349.28998	2.0
355.26111	1.4
371.29456	2.8
375.30435	1.6
387.30444	2.7
393.31494	4.0
395.29465	3.0
405.31467	12.8
406.31964	1.2
407.32938	1.3
421.31006	3.4
423.32559	15.8
425.34091	1.3
433.30988	5.1
439.32074	14.5
440.32205	1.0
441.33725	4.9
451.32062	12.8
459.34601	4.2
460.35098	1.0
469.33115	100.0
470.33264	6.4
487.34186	8.2
505.35065	2.5
583.36017	3.2
601.37225	1.9
613.36993	1.3
619.38538	7.1
631.38306	4.6
763.42548	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	816.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	17.5
58.44618	1.9
61.02922	8.8
65.03928	2.3
65.60955	2.1
67.05499	12.3
69.03421	25.1
69.07063	8.5
69.38811	4.5
69.39224	6.7
71.01346	2.8
73.02904	21.2
79.05482	13.1
81.03402	4.2
81.07042	31.2
81.67783	1.8
83.04971	30.6
83.08620	5.8
85.02894	52.7
85.16843	1.7
85.17411	2.2
87.04469	5.1
91.03922	2.7
91.05470	13.2
93.07030	34.5
93.77238	1.9
95.04968	9.3
95.08591	41.0
97.02876	45.7
97.10149	3.5
99.04433	3.4
99.08082	9.3
103.03896	3.3
105.07011	40.4
107.08578	55.3
109.02849	2.4
109.06524	4.4
109.10138	19.8
111.04446	3.0
111.08094	3.2
115.03892	15.6
117.07008	5.9
119.08561	55.0
121.10123	20.8
123.04552	2.0
123.08057	7.0
123.11708	7.7
125.09608	15.1
127.03891	12.8
129.06996	4.1
131.08553	35.1
132.06598	3.3
133.04967	19.2
133.10097	37.7
133.11014	3.1
135.11664	13.7
137.09612	2.2
143.08528	14.8
144.09308	2.7
145.04936	11.0
145.10101	40.2
147.04390	2.1
147.11673	53.8
148.11972	2.6
149.09573	3.0
149.13246	16.4
150.07613	3.4
157.10136	18.7
158.10847	2.2
159.11667	39.3
159.14664	2.0
159.32443	2.0
161.09608	2.7
161.13229	21.6
162.96454	2.5
163.03874	5.8
163.06015	7.1
163.07451	3.5
163.14824	6.8
169.10136	6.3
171.11646	17.1
173.09595	3.7
173.13242	29.5
175.14786	23.6
177.15022	1.9
177.16278	10.2
179.14308	2.5
180.08583	9.9
183.11688	8.2
184.12535	3.5
185.13231	18.0
187.14798	42.7
189.16318	9.9
191.14308	6.3
191.17928	2.4
193.15904	2.2
195.11841	2.0
197.13249	8.3
199.14757	21.6
201.16351	50.3
201.18102	3.0
203.14310	18.5
203.17993	5.0
205.15852	24.8
211.14810	4.9
213.16321	14.9
215.14233	4.0
215.18001	4.9
217.15854	7.2
219.17448	12.6
221.15372	7.1
223.14882	3.3
223.16954	2.7
227.14313	3.1
227.17952	4.8
231.13840	2.6
231.17439	4.9
233.15578	4.3
237.16278	3.6
239.17964	4.1
241.19534	4.3
245.15385	4.5
247.17017	5.8
249.14803	6.8
251.17809	2.5
253.19600	2.5
259.08243	2.3
259.16922	5.1
265.19739	3.1
267.21155	3.6
277.38565	2.1
281.22607	3.2
312.12906	5.0
341.28430	3.8
347.27206	3.6
353.24802	2.4
365.28253	5.5
373.67453	1.9
387.30511	4.9
393.27591	4.6
405.31454	37.9
406.31531	3.7
407.32980	2.6
411.28891	15.6
423.32550	30.1
424.32883	3.0
433.30978	15.7
441.33435	8.9
451.32053	44.6
452.32346	4.6
459.34286	3.4
469.33084	100.0
470.33459	8.4
487.33749	6.5
619.38116	2.8
816.57739	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	816.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	35.8
57.07083	4.2
59.04993	3.8
60.04521	1.1
61.02919	14.4
62.53931	0.6
63.02400	0.7
65.03929	1.3
67.05499	14.7
69.03423	51.4
69.07060	9.2
69.19602	4.3
70.06573	2.0
71.01348	9.0
71.04988	2.3
72.04504	2.1
72.33665	0.7
73.02909	49.1
77.03919	1.7
79.05482	14.7
81.03413	7.7
81.07050	37.1
83.04525	0.9
83.04976	10.3
83.08620	10.1
84.04535	0.8
85.02896	100.0
85.06538	2.4
86.03233	1.2
87.04469	6.4
89.03888	1.2
91.03941	4.1
91.05466	23.6
93.07034	43.6
94.07355	0.9
95.04965	7.4
95.08597	51.1
96.84509	0.7
97.02884	74.8
97.06526	1.9
97.10170	3.3
98.03259	0.7
99.04446	5.1
99.08085	14.5
103.03926	5.7
103.05455	1.6
105.04510	1.5
105.07021	55.9
106.07337	1.3
107.08584	73.8
108.08864	0.7
109.02869	8.3
109.06521	5.8
109.10149	29.0
111.04427	3.9
111.08076	7.0
114.05463	0.8
115.03922	29.4
115.05312	1.3
116.06297	1.0
117.03423	1.3
117.07011	9.6
119.08569	84.9
121.06505	3.0
121.10136	40.5
123.04415	0.9
123.08064	5.3
123.11693	19.1
125.05994	1.2
125.09613	31.6
127.03907	24.8
128.06239	2.7
129.05493	1.7
129.06953	3.9
130.07806	1.5
131.08553	48.6
132.06557	3.0
133.03947	1.7
133.04956	32.6
133.06471	1.4
133.10115	53.9
134.10501	1.1
135.04414	1.9
135.08072	3.8
135.11673	19.0
136.12009	0.9
137.05995	1.7
137.09605	5.5
137.13235	1.9
139.03891	2.1
139.11198	1.1
141.06905	1.3
142.07750	3.4
143.08543	18.6
144.06543	1.9
144.09299	3.6
145.02911	0.7
145.04942	26.0
145.10107	65.2
146.10606	1.4
147.04411	1.3
147.08057	2.3
147.11674	50.4
149.05902	0.7
149.09570	3.8
149.13248	11.4
150.07596	6.3
151.03850	0.9
151.07539	1.8
151.11148	5.0
153.09070	0.9
155.08527	4.0
156.09344	3.6
157.10112	26.2
158.10941	4.1
159.08095	1.0
159.11678	45.6
160.12062	1.7
161.06049	1.0
161.09602	4.0
161.13243	21.7
162.07625	3.0
163.03917	5.0
163.06032	7.6
163.07530	3.8
163.11201	3.6
163.14821	11.3
165.07018	0.8
165.12743	1.2
167.08539	0.8
169.10083	7.5
170.10896	4.3
171.06529	3.0
171.11671	19.6
172.12422	2.4
173.05919	1.1
173.13246	47.7
174.13733	1.5
175.11172	2.9
175.14806	35.7
177.09088	2.2
177.12823	2.5
177.16354	16.7
179.14326	2.1
180.08650	19.5
181.04999	1.1
181.10156	1.8
182.10895	1.4
183.11673	10.8
184.12466	3.4
185.13237	28.3
186.13866	1.4
187.14798	81.8
188.15157	3.4
189.12778	2.6
189.16353	21.5
190.16580	0.8
191.14307	8.7
191.17944	2.9
193.04918	1.5
193.15903	2.8
195.11734	3.5
195.13672	1.4
196.12502	1.9
197.13235	12.3
198.13806	1.2
199.06010	1.0
199.14793	40.3
201.12738	2.8
201.16360	50.7
202.16690	0.9
203.14281	19.4
203.17897	8.3
205.15865	54.2
206.16348	1.5
207.06493	1.0
207.17435	2.7
209.13255	4.6
209.15379	2.3
211.05988	0.9
211.14771	11.9
212.15361	1.2
213.13062	1.1
213.16356	27.0
215.14366	4.2
215.17892	7.5
217.05005	0.8
217.07054	1.9
217.15880	9.1
217.19476	1.1
219.13788	2.1
219.17426	10.6
221.13377	1.4
221.15231	6.1
221.19019	0.8
223.05884	3.8
223.14830	3.9
223.16869	1.5
225.16341	5.7
226.17032	0.8
227.14420	1.3
227.17979	6.2
229.15802	3.7
229.19559	1.8
231.08849	0.8
231.13791	1.5
231.17377	6.9
233.13257	1.0
233.15373	3.1
233.18909	1.6
235.14832	1.5
237.16422	3.0
239.18210	3.6
241.07056	5.1
241.15929	1.4
241.19533	4.6
243.17543	2.0
245.15346	7.2
245.18999	1.0
247.16919	4.3
249.05510	1.2
249.14720	5.1
249.18550	1.1
251.18074	3.5
253.19437	5.9
255.17638	0.7
255.21146	3.2
257.19110	0.9
259.08157	6.3
259.17017	4.7
263.18149	1.4
265.19431	2.4
267.21158	6.4
269.18848	1.3
269.22675	0.9
271.20477	1.2
273.18390	1.1
277.09201	1.4
277.19601	1.0
278.10178	1.0
279.21106	2.2
281.22690	2.2
283.20602	2.7
283.23764	0.7
285.22235	1.0
291.21011	1.5
293.22586	1.5
295.06030	1.4
295.10196	2.7
295.24100	1.3
297.21970	1.4
299.12772	1.4
299.20187	1.6
299.23724	1.8
305.22754	1.5
311.20587	0.7
312.12866	8.7
313.21777	1.1
317.22610	1.6
321.25610	1.1
325.21750	1.5
327.23267	1.7
331.23856	1.1
333.25806	2.2
335.23758	1.2
339.23135	1.4
341.24710	4.0
349.25125	1.3
351.26883	2.1
363.26691	0.9
365.28360	1.3
375.30496	1.5
377.32129	3.0
387.30414	8.8
389.32104	2.2
393.27557	1.2
393.31689	7.0
395.33163	2.8
405.31488	59.6
406.31912	3.0
407.33154	8.9
411.28220	1.6
411.32587	2.9
415.29666	1.4
421.31082	5.6
423.32504	28.7
424.32950	1.3
433.30981	24.9
434.31354	1.1
439.32059	9.2
441.33597	9.6
451.32034	75.0
452.32300	4.5
457.33090	2.7
459.34918	4.3
469.33081	75.1
470.33395	4.8
487.34235	5.5
505.35193	1.9
636.17279	1.1
805.28357	0.9
816.19604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09323	5.4
77.17036	0.7
98.22679	1.2
102.54245	0.7
131.72908	0.7
137.60594	0.6
179.02809	0.6
255.92474	0.8
275.21353	0.8
292.88803	0.7
817.23071	100.0
818.23169	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	819.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65972	2.2
69.66360	1.8
75.74895	0.9
79.01625	6.0
80.18279	0.9
82.00297	5.3
85.02917	1.7
95.01095	4.4
99.92147	0.9
109.02842	1.3
113.02119	1.2
127.00002	6.9
127.03927	2.6
133.02676	2.1
138.02943	1.3
141.05244	12.0
153.01596	7.5
154.02411	1.3
167.03091	1.0
169.01111	1.6
169.04762	1.3
181.04831	1.5
182.01901	2.8
185.04283	3.2
185.21187	1.0
199.05829	2.6
209.04303	2.4
211.05791	1.3
227.05283	8.5
243.04770	8.1
243.07072	1.2
253.03317	4.0
255.04675	6.0
263.10568	1.6
271.04211	20.8
271.24271	1.1
287.03870	3.3
288.04370	1.6
321.14539	1.6
322.15308	6.0
323.16583	1.2
350.15997	1.0
370.64105	1.1
371.09500	1.7
389.10226	4.4
389.57443	1.1
413.10648	1.3
431.11719	5.6
447.11374	2.5
475.10526	3.9
519.09399	5.6
527.22357	1.2
689.27118	1.6
731.29041	9.2
732.29150	1.4
733.26855	5.3
754.90112	1.2
775.27838	32.9
776.28137	1.7
819.26727	100.0
820.26855	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	820.395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	7.2
57.07059	3.1
61.02928	6.4
65.03916	1.1
67.05496	11.8
68.99791	3.7
69.03420	45.5
69.07068	4.8
71.01352	3.0
71.04984	5.6
73.02899	5.7
75.04469	1.1
76.75034	0.9
77.03954	1.2
79.05497	6.1
81.03408	41.6
81.07045	18.5
83.04968	8.2
83.08629	3.2
85.02894	97.4
86.03232	2.0
87.00819	41.8
91.04004	0.9
91.05470	8.1
93.07032	11.1
95.04949	8.6
95.08593	33.0
97.02884	44.0
99.04452	17.9
101.02374	2.8
103.03937	5.9
103.05457	1.3
105.01854	36.0
105.07024	19.1
105.07716	1.5
107.04942	1.5
107.08580	14.3
109.02866	61.5
109.06525	1.1
109.10139	24.2
111.00792	1.1
111.04417	8.0
113.02360	2.5
115.03931	2.6
117.01842	3.9
117.06998	1.9
119.04971	1.2
119.08569	18.9
121.02843	1.6
121.10127	32.6
121.10989	1.9
123.04418	8.8
123.11672	6.1
125.02342	4.4
127.03899	100.0
128.04239	1.5
129.01830	6.0
129.05437	2.2
131.08574	2.6
133.10123	25.6
134.10548	1.1
135.04393	1.7
135.11659	8.8
137.06023	1.8
137.13217	2.1
138.98340	0.9
139.03853	5.0
141.05473	1.8
145.04942	17.3
145.10086	5.7
147.02867	2.9
147.04456	2.3
147.06505	2.6
147.11671	28.3
148.12012	1.0
149.13240	6.6
151.03917	8.3
153.01770	1.1
159.02869	10.9
159.11682	6.7
160.12292	1.0
161.06013	1.7
161.13252	19.5
163.03897	3.4
163.14798	8.6
165.05481	4.0
169.04927	11.3
171.02858	4.4
173.13300	2.8
175.03914	2.0
175.14796	10.2
177.03909	1.1
177.05464	1.5
177.16406	4.4
179.14410	0.9
181.04947	2.1
187.05975	9.6
187.14827	3.7
189.03932	19.2
189.05461	2.0
189.16409	11.0
191.17944	1.2
193.04979	6.5
195.02835	1.4
201.16350	6.4
203.17932	73.5
204.18362	2.5
205.19490	9.5
207.17471	1.1
211.05946	2.8
213.03928	15.3
213.53667	0.9
215.05576	1.3
215.17947	6.0
221.18962	19.7
227.17978	0.9
229.07130	1.7
229.19505	1.1
231.04977	25.7
231.17455	1.1
233.04309	0.9
233.06583	4.1
233.18990	2.3
235.05991	3.3
249.05943	10.7
253.07091	4.3
255.04927	3.7
269.06616	1.8
271.24158	29.1
272.24283	1.1
273.06009	53.4
289.25247	2.9
297.06094	3.6
301.67551	0.9
311.20032	1.3
315.07022	7.9
321.05960	2.8
329.21503	1.1
333.07925	2.0
339.07028	11.1
357.08017	7.6
417.10318	1.3
425.07117	1.2
433.22076	2.6
443.08170	8.4
451.23059	2.7
461.09186	17.9
479.10364	10.5
519.29401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.0
57.96437	1.0
61.02918	4.5
61.65236	1.2
65.03947	1.8
67.05501	9.2
68.99784	5.2
69.03424	45.0
69.07064	7.8
70.75190	1.2
71.01356	4.1
71.04977	4.2
73.02902	5.2
75.04440	1.0
79.05479	6.1
81.03413	42.6
81.07051	20.8
83.01346	2.5
83.04977	7.7
83.08616	3.2
85.02900	90.3
87.00826	37.9
87.04463	1.3
91.03945	1.1
91.05469	6.6
93.07037	10.7
95.04975	6.1
95.08603	22.5
97.02252	2.0
97.02888	42.4
97.10180	2.8
99.04445	17.9
101.02371	2.5
103.03934	6.4
105.01862	36.1
105.07029	14.3
107.04964	1.6
107.08588	15.3
109.02872	56.2
109.06611	1.2
109.10151	14.1
111.04432	8.4
115.03920	1.9
117.01847	3.4
117.07023	2.0
119.04919	1.6
119.08562	19.7
121.02872	1.4
121.10134	11.7
123.04400	7.9
123.11726	8.0
125.02343	5.9
127.03905	100.0
129.01831	3.4
129.05516	1.5
131.08559	4.9
133.10127	14.6
135.04427	2.2
135.11702	6.2
139.03896	5.2
141.05461	2.3
145.04938	17.0
145.10121	8.5
145.16885	1.1
147.02904	3.1
147.04384	1.5
147.06552	3.0
147.11661	18.7
147.12711	1.6
149.02350	1.6
149.13280	7.2
151.03914	8.1
153.01801	1.3
159.02879	10.1
159.11691	9.5
161.13245	14.1
163.14815	9.7
164.04620	1.6
165.05443	3.8
169.04958	11.8
171.02849	3.3
171.11699	1.6
173.13228	5.4
175.14816	11.6
177.16403	3.8
179.14319	1.5
181.04976	2.0
187.06015	8.2
187.14796	5.8
189.03932	20.9
189.05586	0.9
189.16353	17.0
191.17896	1.5
193.04909	7.7
195.02925	1.3
201.16405	7.4
203.17941	2.0
207.06607	1.5
207.17485	5.8
211.06111	2.2
213.03914	19.5
213.16463	1.7
215.17924	23.4
231.04977	31.1
233.06509	3.0
235.06029	3.4
249.06029	9.8
253.07062	3.8
255.04984	4.4
259.89380	1.1
269.06409	1.3
269.22678	1.9
271.24188	46.1
271.27139	2.4
272.24533	1.2
273.06027	59.1
273.25684	1.3
274.06345	1.6
289.25143	8.1
291.07037	2.4
297.06030	2.5
315.07120	8.8
321.06113	3.0
333.08160	2.5
339.07181	9.4
357.08081	8.1
375.08997	1.5
397.75174	1.2
425.07117	2.2
443.08179	6.7
461.09232	15.8
479.10205	6.4
483.27136	1.5
519.29462	4.3
633.21387	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.6
57.07071	5.0
61.02922	5.2
67.05501	21.2
68.99794	5.1
69.03421	37.8
69.07063	10.8
73.02926	7.0
79.05488	18.4
81.03423	40.4
81.07051	31.6
83.04978	9.7
83.08620	6.5
85.02902	92.1
87.00828	33.1
91.05474	11.3
93.07056	22.3
95.04972	7.2
95.08601	38.2
97.02890	42.9
97.10159	7.3
99.04467	11.7
103.03963	6.8
105.01875	47.4
105.07019	29.5
107.08604	29.9
109.02872	50.6
109.10155	28.4
111.04450	11.5
119.08601	26.3
121.10168	15.5
123.04420	7.9
123.11725	13.8
126.56688	3.9
127.03909	100.0
128.66920	4.4
129.01820	6.5
131.08545	9.5
133.10135	18.9
135.11732	10.2
139.03870	4.7
145.04974	17.1
145.10141	18.3
147.11708	16.7
149.13255	8.3
151.03949	8.3
159.02878	6.0
159.11700	14.1
161.13307	17.4
163.14822	12.5
169.05019	15.9
173.13303	9.2
175.14871	9.1
177.16277	5.3
179.14323	8.0
182.53275	4.4
187.14848	12.7
189.03851	19.6
193.04942	8.4
193.15848	4.4
201.16385	6.9
207.17442	6.2
209.24112	4.2
213.03981	22.5
215.18033	13.6
229.19478	6.7
231.04988	36.6
233.06569	5.0
235.06139	7.1
249.06044	14.4
257.82181	4.4
271.24164	25.9
273.06021	85.3
289.25305	28.1
291.27963	4.1
315.07123	11.3
333.08090	5.6
339.07144	14.4
357.08224	16.5
422.11926	5.1
425.07581	6.3
443.07919	12.4
461.09152	38.0
479.10352	36.2
497.10913	5.7
588.24109	5.0
776.27344	6.3
820.26593	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	820.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54684	8.5
67.05510	21.9
69.03411	40.6
69.07064	12.5
70.24369	14.9
70.24702	10.5
79.05482	10.5
81.03399	38.3
81.07039	43.8
85.02897	100.0
87.00822	33.0
91.05463	9.3
93.07060	10.1
95.04987	9.3
95.08603	32.9
97.02908	45.2
99.04431	8.5
105.01846	43.4
105.07001	18.6
107.08562	22.0
109.02875	58.2
109.10134	15.6
111.04423	8.5
112.66400	8.1
119.08588	63.5
127.03925	96.0
133.10092	25.5
145.04962	25.6
145.10080	20.8
147.11641	12.3
159.02863	15.5
159.11612	40.5
161.13234	23.0
169.05017	9.3
173.13190	9.8
187.05923	10.4
187.14816	15.9
189.03923	19.9
213.03865	22.9
231.05025	30.3
249.06039	20.7
271.24194	27.4
273.06097	61.5
321.70679	10.0
445.77100	9.0
461.09244	18.2
528.12213	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	821.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.4
69.20466	2.6
76.59637	0.4
79.05527	0.7
80.53719	0.4
85.02919	1.0
91.05481	0.6
110.09666	0.5
111.04437	0.5
135.04327	0.6
138.09134	0.9
151.07556	1.2
161.05661	0.5
163.03908	0.8
166.08624	0.8
191.06944	1.2
193.04796	1.2
195.06305	0.6
204.06764	0.7
210.01559	0.4
211.05852	1.2
219.06339	0.5
243.04782	0.8
243.11133	0.7
265.09705	0.5
277.06650	0.5
285.12238	0.5
305.10080	0.7
321.09003	0.5
335.10956	0.6
339.09845	1.6
359.11191	0.8
365.12286	0.6
371.12592	1.1
377.12021	1.2
393.11725	1.2
395.13254	2.1
457.13513	0.5
473.12869	1.7
487.16351	0.8
505.16699	0.7
539.32788	0.5
547.18262	1.1
563.17438	0.6
565.18634	1.1
581.18268	0.9
589.66772	0.5
591.20648	2.5
595.20239	1.3
609.17999	1.9
623.19507	4.2
624.20306	1.3
625.21088	1.7
637.20947	0.8
761.25970	0.5
821.28271	100.0
822.28522	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	821.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15591	0.9
62.34181	1.2
69.16859	6.5
79.05482	2.1
81.03390	2.0
85.02886	1.9
93.07032	1.4
94.06555	2.6
95.07355	1.7
96.08115	2.9
106.06556	1.2
108.08113	4.2
110.09638	5.4
111.05589	1.2
116.04974	2.3
120.08080	3.6
122.06038	5.8
124.07569	2.7
134.05971	1.3
136.07567	8.2
138.09109	6.4
144.04434	6.4
145.02846	1.4
146.06015	3.8
148.07550	2.1
150.05429	2.2
162.05482	3.6
163.03929	2.6
166.08597	11.1
169.87531	1.3
170.09612	2.2
172.03922	38.5
173.04245	1.2
174.05550	1.8
181.05043	1.2
187.12241	2.9
190.04979	6.7
198.09140	16.0
200.09277	2.0
204.06548	64.8
205.06853	1.6
206.08240	1.2
212.10690	3.0
215.11790	14.4
225.10197	1.6
226.08588	5.6
227.11722	2.0
237.10251	1.2
239.11763	1.4
240.10150	2.2
241.09593	1.5
241.13425	1.8
243.11278	77.8
244.11702	2.0
255.11211	4.1
256.12012	1.5
257.12842	5.0
269.09125	2.1
271.10611	1.3
279.11368	1.6
285.12308	76.6
286.12552	1.8
287.14093	2.0
297.12292	2.4
301.11868	8.3
303.13376	100.0
304.13696	2.8
323.09973	1.4
325.11728	5.0
327.13272	1.4
329.15097	1.5
357.14450	17.9
358.15326	1.7
359.15991	1.5
385.53192	1.1
400.16217	1.3
416.15686	2.2
418.17444	1.9
430.17395	1.7
462.16278	2.9
474.16183	2.7
485.29001	1.2
494.18945	4.7
519.19476	1.7
550.97485	1.2
583.25604	8.4
599.24927	3.9
609.23639	7.1
610.27295	1.3
627.24390	23.2
628.23901	2.3
641.25745	2.8
659.26868	2.3
680.92609	1.4
779.86176	1.2
821.27686	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05441	0.6
69.03392	0.8
79.05473	0.6
81.03372	0.8
82.06557	0.7
85.02876	0.9
89.03911	1.1
91.05455	0.8
93.06994	1.2
94.06548	2.6
95.07317	0.9
96.08116	2.9
97.02851	0.5
103.05401	0.7
106.06499	1.1
107.07278	0.5
108.04423	0.9
108.08112	2.9
110.09040	0.5
110.09658	4.2
116.04972	2.9
118.06480	0.4
120.04461	0.8
120.08090	4.8
122.06012	5.9
124.07570	3.6
133.05202	0.7
134.05965	1.0
136.07567	7.8
137.61798	0.5
138.09108	7.1
144.04445	5.2
146.05968	2.8
146.09525	0.5
148.07520	2.0
150.05447	1.4
150.09145	0.8
152.07059	1.1
154.06502	0.5
158.05910	0.7
160.03909	1.8
160.07542	0.9
161.04677	0.4
161.07047	0.6
162.05466	4.0
163.03880	0.6
164.06981	0.6
166.08623	10.1
170.09593	3.5
172.03915	30.9
172.07506	0.8
172.11151	1.4
173.04221	0.7
174.09122	0.5
175.08658	1.3
183.06775	0.5
184.07516	0.4
187.12282	3.9
188.10672	0.6
190.04974	6.7
197.10692	0.6
198.09103	19.1
199.08548	0.6
200.09267	2.7
200.10986	0.7
201.13649	0.5
204.06534	48.8
205.06920	1.1
206.08066	0.7
209.10620	0.5
212.10786	4.0
213.10318	0.6
215.11765	18.3
223.08498	0.6
225.10152	1.3
226.08614	5.6
227.08229	0.9
227.11766	2.2
228.08868	0.7
229.09708	0.7
229.13310	1.6
231.11234	0.8
236.09378	0.6
237.10239	0.6
238.10915	0.4
239.11861	0.5
240.10176	1.5
241.09677	1.7
241.13297	1.2
242.10373	2.1
243.11252	91.5
244.11588	2.1
251.07852	0.5
251.11713	1.2
253.09680	1.1
255.11241	8.5
256.11917	0.9
257.12756	4.7
265.09793	1.0
267.11264	0.6
269.09323	0.6
279.11264	1.8
283.10745	1.3
284.11545	0.6
285.12299	80.8
286.12759	2.6
297.12253	1.8
298.13147	1.0
301.11761	7.7
302.12521	1.0
303.13345	100.0
304.13693	3.8
307.10800	0.9
313.11716	0.7
315.09851	0.9
325.11783	6.2
329.14798	0.8
339.13867	0.5
342.12006	0.6
343.12985	0.8
357.14462	10.0
358.15387	2.3
359.15897	1.5
370.15256	0.5
371.12631	0.5
385.14474	0.5
400.16888	0.6
416.15555	0.5
418.17548	1.7
430.17743	0.7
439.50940	0.5
458.16934	0.8
462.16507	2.6
470.17111	1.5
474.16705	3.1
476.18152	2.7
487.17007	1.5
488.17868	1.2
494.19214	3.0
506.19287	1.4
519.19440	0.8
536.20276	1.4
583.25427	4.0
591.22021	0.7
599.24921	1.8
609.23389	2.0
623.24854	0.6
627.24420	13.1
628.24469	1.0
641.25983	10.1
642.25677	0.6
659.26819	1.5
803.30469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.8
57.07074	0.8
61.02921	5.5
61.10896	0.5
65.03916	1.1
67.05498	25.4
69.03411	1.1
69.07061	7.9
69.78028	0.7
69.78371	1.6
71.04980	2.3
73.02905	2.1
77.03914	0.6
79.05485	16.4
80.79337	0.6
81.03424	2.3
81.07050	30.5
82.07397	0.6
83.04964	3.6
83.08610	7.3
85.02889	6.3
85.06546	1.6
91.03951	2.5
91.05471	10.3
93.07035	21.3
94.07385	0.9
95.04964	2.9
95.08594	8.1
97.02887	2.1
97.06512	3.3
97.10172	1.1
98.23477	0.6
99.08105	1.2
105.04541	0.6
105.07019	4.3
107.04945	1.0
107.08583	13.0
109.06487	1.2
109.10157	2.2
111.08048	3.7
111.72623	0.5
114.97864	0.5
117.06982	5.2
119.08562	2.8
121.06469	1.4
121.10122	6.3
123.08052	0.6
123.11716	1.8
127.03918	1.1
128.04192	0.5
129.06987	1.3
131.08559	6.5
133.10117	6.8
135.08037	1.1
135.11688	4.4
143.08528	1.3
145.04947	1.0
145.10103	1.7
147.11681	1.4
149.13246	10.6
151.11217	1.2
155.08580	0.9
157.10092	1.2
159.11668	5.7
160.82561	0.5
163.03903	2.6
163.06052	1.3
169.10127	0.6
171.11662	1.1
173.13261	0.6
177.12762	1.9
183.11481	0.5
195.13776	6.3
211.14952	0.8
213.14836	0.9
251.16386	1.2
269.17435	19.4
353.24631	1.6
371.25702	1.0
389.26923	0.8
413.21793	0.5
427.28757	1.1
445.29428	11.8
446.29697	0.7
463.30490	100.0
464.30801	5.1
481.31461	0.9
607.34686	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	822.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	5.8
62.56745	4.1
64.60441	4.1
67.05497	48.2
69.03413	5.9
69.07130	53.8
79.05485	48.2
81.03431	6.4
81.07056	62.2
83.04967	8.7
83.08624	6.6
83.27536	3.9
91.05479	68.8
93.07030	52.9
95.01316	8.6
95.04953	9.7
95.08591	33.9
97.06524	20.0
105.07025	95.2
105.07726	4.6
107.04938	19.3
107.08587	29.0
109.10154	13.8
117.06995	13.2
119.08578	49.4
119.81640	4.2
121.10149	11.1
122.74792	4.7
123.08039	7.8
128.97588	3.7
129.06992	5.5
131.08571	32.7
131.90022	4.5
133.10117	54.6
135.08057	4.2
135.11696	9.8
145.10114	18.9
147.11693	27.4
149.13234	6.4
155.49886	4.4
157.10075	6.0
159.11719	19.8
161.13261	12.6
166.65825	4.4
169.10208	5.0
171.11674	7.7
173.13217	7.2
179.14316	5.8
241.19505	13.9
256.62042	4.1
257.18945	6.7
259.20572	22.3
275.20038	57.3
315.23145	15.0
333.24225	59.3
349.23706	51.9
409.63937	4.8
607.43573	100.0
608.43976	7.7
611.26483	4.5
625.44525	13.2
653.77197	4.6
822.46191	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	822.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	9.2
58.64246	2.8
59.11451	2.6
59.27762	2.9
59.82021	2.7
65.03918	3.3
67.05502	45.1
69.03416	8.6
69.07053	21.5
69.76615	2.5
75.09017	2.7
79.05491	33.8
81.03426	3.8
81.07053	38.5
83.04961	6.0
83.08595	7.8
91.05470	24.5
93.07037	37.2
95.04951	11.4
95.08601	30.8
95.98049	2.7
97.02887	8.9
97.06512	3.8
97.10163	9.3
98.23506	6.5
99.82868	2.7
104.27449	2.6
105.07023	16.7
107.04951	5.3
107.08591	24.0
109.06510	2.9
109.10154	11.0
117.07035	6.2
119.08551	14.6
121.10120	11.1
123.07984	3.9
123.11626	2.8
125.09608	5.9
129.88901	2.8
131.08589	8.0
133.10110	8.3
135.11665	8.7
145.10094	7.0
147.07993	5.2
147.11731	6.0
149.13300	5.0
157.10146	3.2
159.11577	5.3
173.13277	6.1
175.11192	3.3
184.07310	4.8
185.84569	3.5
189.11128	4.1
223.13191	14.2
227.12738	4.1
234.93825	3.1
249.14691	3.3
261.01859	2.6
261.22089	6.8
273.18469	15.0
291.19504	89.5
335.25772	100.0
336.26202	5.3
347.21924	3.4
365.23242	53.4
545.38104	3.9
625.44507	96.5
626.44611	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	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	15.0
59.27679	4.5
67.05501	100.0
69.03423	7.6
69.07066	27.1
70.82893	8.3
71.04968	7.7
79.05482	68.5
81.03420	4.9
81.07051	91.4
83.04975	44.5
83.08604	8.5
91.05467	57.7
93.07034	76.9
95.04982	19.6
95.08607	50.1
97.10173	7.5
105.07014	53.6
107.04954	12.3
107.08593	50.2
109.06528	13.0
109.10153	37.6
117.07011	14.2
119.08585	25.0
121.06511	9.4
121.10146	17.7
123.08047	8.8
123.11696	11.3
131.08574	22.2
133.06558	4.7
133.10114	65.3
135.08034	8.0
135.11694	9.9
143.08572	6.3
145.10106	14.4
147.11665	10.4
149.09705	8.7
149.13243	6.5
151.11166	21.7
159.11707	9.4
161.09592	10.5
169.12325	5.0
173.13281	9.9
177.12645	5.8
184.07358	12.8
191.10721	4.3
245.18890	6.9
248.95296	4.8
253.14297	58.8
261.22247	9.4
273.18570	39.4
291.19485	47.0
315.75430	4.8
335.25745	95.9
347.22238	10.6
365.23212	55.9
417.56104	5.0
531.36621	10.2
607.43146	7.7
625.44629	74.5
818.26544	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	823.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13588	2.6
67.05483	2.7
69.03419	6.1
69.30795	12.3
74.29911	3.2
79.05494	3.5
81.03410	5.3
85.02896	9.3
91.05483	4.8
93.07050	5.1
94.06524	13.5
95.07334	7.7
96.08093	13.7
97.02874	6.2
101.21537	2.3
103.05423	3.3
105.04475	2.5
107.07295	4.3
108.08110	27.1
110.09669	25.7
117.51197	2.8
120.08094	25.2
122.05979	12.8
122.09637	7.5
124.07608	4.5
124.53825	2.4
127.03879	3.4
134.06018	3.1
136.07564	29.9
138.09129	47.6
141.75253	2.7
146.05974	3.7
146.09624	3.5
148.07573	15.9
150.09114	15.1
152.07076	6.8
163.03909	11.2
164.07057	6.0
166.08621	87.4
166.10037	5.0
167.07277	2.8
172.03923	25.7
182.08118	6.4
185.39807	2.7
190.05000	8.6
197.10745	2.6
204.06541	24.6
209.10712	10.5
210.11481	11.1
211.12288	21.5
221.10684	4.7
222.07552	3.1
222.11531	8.9
223.12332	16.5
224.13020	5.0
225.10217	5.8
225.13832	9.8
227.11749	5.0
232.09724	2.8
235.08638	5.4
235.12328	7.7
237.10262	20.5
237.13838	15.0
238.10934	13.8
238.14632	3.4
239.08185	3.3
239.11818	15.2
243.11230	3.4
247.08788	3.9
248.09387	10.0
249.10188	36.4
250.10991	31.8
251.11801	49.7
252.12570	7.9
253.09598	4.8
253.13393	12.3
255.11279	5.3
261.10281	8.1
262.10968	8.0
263.11761	67.3
264.12509	10.1
265.09766	17.5
265.13315	33.6
266.14227	3.8
267.11240	14.2
267.14590	3.0
268.11746	3.1
269.12848	16.6
270.13544	15.8
273.12265	4.2
277.09695	10.0
278.10410	8.5
279.11249	56.2
281.12823	15.2
282.09897	10.5
282.13345	5.7
283.10803	8.2
283.14343	10.2
285.12305	8.9
286.12677	3.1
291.11246	32.9
292.11850	8.1
293.09360	7.3
293.12836	19.4
295.10782	37.9
296.11588	4.1
297.12265	39.1
298.13110	19.5
299.13742	9.1
307.10791	18.1
309.08890	5.1
309.12311	72.6
310.13049	25.2
311.13821	37.8
312.14468	3.6
313.11829	4.2
319.10684	11.6
321.12277	3.5
323.10391	5.4
323.13870	7.2
325.11804	19.4
327.13138	4.2
328.14175	8.6
329.14929	18.4
330.15829	5.1
335.10205	17.7
336.10815	8.2
337.11774	56.0
338.12213	2.9
341.11200	8.0
341.15143	8.0
342.15936	8.3
353.11465	12.8
354.12057	7.4
355.12875	25.3
356.13748	6.7
357.14499	37.5
357.18512	5.0
358.15201	7.1
367.12881	25.2
368.13611	3.4
369.14359	25.4
370.15311	4.2
372.17328	4.6
373.13916	4.6
375.15302	3.5
385.13528	4.4
390.18176	3.8
402.18015	4.6
403.19128	4.2
414.18323	5.8
416.15475	5.0
420.19000	10.0
432.19171	46.9
434.20844	5.9
435.21378	4.2
444.19098	11.9
446.20758	5.9
458.17120	3.3
460.18884	3.7
462.20145	26.3
463.20935	44.0
464.21652	43.5
472.18661	5.1
476.17407	4.3
478.19601	5.3
488.17764	12.0
490.19672	23.7
492.21564	4.6
494.22867	21.5
504.20840	4.2
506.19171	42.1
507.19403	6.9
508.21106	6.6
520.20660	57.6
521.21112	9.4
522.22278	100.0
523.22095	5.6
538.21783	39.8
567.26215	4.8
585.26941	66.6
586.27161	4.6
593.24219	3.0
597.26727	4.9
611.24799	24.3
617.29449	10.5
624.24896	11.1
625.26172	55.3
626.26624	11.0
629.25787	8.5
643.26941	10.7
650.22998	5.7
652.25116	5.5
656.27985	37.5
657.28516	9.3
682.26794	13.6
683.25958	7.1
684.27173	16.0
685.27594	3.6
700.26831	46.0
701.27100	4.7
747.32098	15.6
779.34143	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	823.339
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11539	1.0
65.03945	1.5
67.05488	1.2
69.03427	1.7
73.56968	1.0
79.05480	1.7
80.05006	1.2
82.06585	2.1
85.02899	3.8
90.32370	0.9
91.05491	1.4
93.07040	4.6
94.06553	9.1
95.04964	1.8
95.07319	7.0
96.08125	16.8
97.02881	1.8
97.06499	1.6
98.22630	2.2
106.06615	1.2
108.04482	1.6
108.08115	13.3
110.08950	2.0
110.09676	26.9
116.04996	3.4
120.04470	5.6
120.08109	21.3
122.06020	6.0
122.09635	1.3
124.07574	7.3
127.84573	0.9
134.06026	3.3
136.07558	12.9
138.05528	4.9
138.08060	2.3
138.09132	46.3
144.04428	6.4
146.06020	5.7
148.07571	6.3
150.05461	1.1
150.09088	1.9
152.07089	2.3
160.03908	3.6
162.05486	3.6
164.07121	1.6
166.05013	2.5
166.08633	70.6
167.08932	1.2
172.03932	43.4
173.04231	1.4
174.05486	2.8
178.05002	2.0
184.09848	1.0
190.04984	19.0
197.10779	1.1
202.20464	1.3
204.06548	41.7
209.10789	1.2
211.08611	1.7
211.12221	1.3
212.09355	2.3
213.10262	1.6
224.09435	2.2
225.10196	5.6
226.10849	1.9
227.11826	8.1
233.10657	1.3
236.09329	1.6
237.10222	9.2
238.11008	2.9
239.08154	2.4
239.11855	4.2
241.09808	2.2
245.12875	2.9
247.14427	3.0
249.10178	2.5
250.10977	1.7
251.08028	2.1
251.11812	8.8
252.08913	2.2
253.09663	9.0
253.13336	1.2
255.11292	3.7
264.08804	2.5
265.09705	17.8
266.10312	3.6
267.11258	5.3
269.12750	8.2
271.10822	6.0
273.12363	6.6
278.06659	5.7
279.11234	10.6
280.08496	2.5
281.09073	2.2
281.12680	3.0
283.10809	6.6
284.11514	2.2
285.12408	5.5
287.13965	6.5
289.09979	1.1
291.11349	1.9
292.08344	1.3
293.09195	15.9
294.09964	4.4
295.10803	2.3
296.11496	1.4
297.12271	11.4
299.10263	3.4
299.14020	3.4
300.10989	2.5
307.10681	4.8
309.12347	4.9
311.10199	2.3
312.10974	2.9
313.11685	5.6
321.12454	1.3
323.10272	2.9
325.11774	27.6
326.12354	1.9
327.13486	1.7
330.16031	1.3
335.10175	8.3
340.10513	2.9
341.11343	16.4
342.12320	1.8
343.12955	3.6
353.11279	15.9
355.13425	1.2
356.13727	2.2
357.14438	18.7
358.15387	2.5
365.11319	1.6
373.13943	10.3
378.17920	1.2
382.11469	1.5
385.13824	6.2
386.14566	1.6
390.18204	1.7
398.14783	6.2
399.15662	8.2
400.16440	1.5
404.16275	2.6
414.18509	1.2
416.15756	5.1
418.17447	1.5
428.16177	2.5
430.18115	1.2
431.18250	1.2
434.20718	1.5
437.19324	1.6
440.16211	2.4
446.16730	3.7
458.17145	11.8
460.18530	3.3
465.18875	6.5
466.19681	1.2
478.20023	5.0
487.17007	3.7
488.18057	6.9
490.19476	3.9
506.19205	100.0
507.19357	7.3
510.22052	3.2
520.20947	5.5
538.21838	67.8
539.22089	5.5
569.23761	2.1
593.23755	1.5
611.25018	44.7
612.24957	3.9
643.27777	6.4
668.24414	1.3
683.25879	1.3
773.30292	12.8
774.30060	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45292	2.0
64.10888	2.0
67.05500	7.4
69.03421	8.6
69.07055	5.9
69.85901	5.3
79.05476	8.2
81.03413	8.2
81.07059	15.0
83.08618	4.6
85.02897	13.8
87.00826	4.2
88.71815	1.9
91.05471	9.0
93.07044	14.1
95.04954	4.9
95.08598	32.6
97.02890	6.0
97.06531	2.4
98.22820	3.4
99.04421	2.4
99.08064	5.0
105.07021	21.2
105.57458	2.3
107.08578	25.0
109.02869	4.5
109.06479	4.3
109.10162	21.0
111.08099	4.2
117.06995	3.2
119.08570	23.2
121.06501	5.7
121.10136	15.7
123.08060	4.1
123.11708	4.3
125.09615	4.7
127.03920	5.7
128.06267	2.0
131.08583	11.6
133.06476	2.7
133.10110	20.4
135.08034	56.9
135.11731	5.7
137.09579	3.4
142.07762	2.9
143.08582	4.1
145.10085	21.4
147.08020	13.7
147.11665	10.0
149.09610	11.4
149.13226	3.6
157.10104	12.9
159.08070	6.8
159.11659	15.3
161.09599	25.6
161.13246	8.4
163.11188	3.6
163.14792	2.6
169.10143	4.5
171.08014	3.1
171.11705	7.6
173.09612	5.3
173.13248	16.0
175.11166	5.4
175.14815	5.8
177.16449	2.4
183.11623	3.5
185.09602	4.9
185.13287	9.4
187.11121	3.3
187.14799	9.0
189.12733	6.6
189.16415	4.0
191.14284	2.9
193.12283	5.2
197.13168	4.3
199.11230	6.7
199.14775	7.4
201.12750	12.9
201.16367	7.0
203.14299	80.8
203.18005	2.7
213.12738	3.3
213.16397	9.3
215.14301	5.5
215.18044	5.0
217.15823	12.4
219.13780	17.2
225.16447	2.4
227.14345	2.9
227.17961	3.2
229.15913	8.8
231.17484	7.3
233.19026	2.6
243.17453	7.4
253.15916	2.8
253.19489	2.8
255.17421	4.7
309.22092	2.8
333.22012	3.3
351.23026	4.1
363.27026	2.5
379.29770	2.2
393.31519	3.1
403.29941	20.8
403.34860	3.7
421.31009	100.0
422.31122	3.7
439.32034	72.6
440.32361	4.4
463.32037	6.1
481.33130	39.9
499.33954	6.9
523.34253	2.4
541.35217	58.3
542.35602	4.2
605.41852	2.4
609.54681	2.5
825.41815	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58782	5.5
67.05499	78.9
69.07072	30.0
69.42454	24.5
79.05486	58.3
81.07047	75.6
83.08593	10.3
91.05477	45.3
93.07051	59.1
95.04926	13.0
95.08595	32.1
96.65962	6.6
97.06532	11.4
97.10186	9.2
98.22742	9.1
99.08115	7.5
105.07033	39.6
107.08587	43.4
109.10147	23.1
117.07020	16.2
119.08598	29.3
121.10120	23.5
121.32912	5.7
123.11698	9.0
125.09636	10.9
131.08565	21.5
133.10104	23.7
135.07997	7.8
135.11714	17.9
145.10121	13.1
147.11630	19.4
159.11702	20.1
161.13269	6.7
173.13118	6.2
174.73212	6.2
175.11121	9.0
175.14841	6.0
183.11581	7.4
227.12766	16.3
257.18896	9.5
261.22089	11.3
267.16003	8.0
275.20078	57.0
335.25806	100.0
336.25766	7.1
345.69495	7.4
349.23697	43.6
471.84103	7.0
529.38452	9.6
609.45001	57.0
610.45135	10.6
714.45764	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	824.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	4.4
65.03944	6.2
66.33655	3.6
67.05167	5.0
67.05501	68.7
69.07074	20.6
71.04977	4.6
78.59483	4.6
79.05486	50.6
81.03410	10.3
81.07045	69.3
83.04958	4.2
83.08586	10.5
86.55861	4.1
91.05469	39.8
93.07036	61.0
95.04955	12.6
95.08603	47.7
97.06513	11.9
97.10116	3.9
105.07002	29.4
107.08604	38.0
109.06535	6.2
109.10155	17.2
117.07018	19.2
119.08574	26.5
121.10143	21.4
123.08015	3.8
129.06985	5.6
129.88652	3.9
131.08568	19.0
133.10101	17.7
135.07985	5.0
135.11673	11.1
137.09622	6.3
143.08563	7.3
145.10114	16.7
147.11664	10.6
149.09572	5.0
149.13220	9.4
157.10168	7.4
159.11711	11.9
161.13283	7.1
173.11731	4.7
173.13210	8.4
176.77299	4.1
185.13280	5.5
199.14771	4.7
217.15747	6.3
219.17412	4.1
227.12794	4.4
229.14275	11.3
243.20857	4.6
255.15805	5.5
257.19031	8.6
261.22150	11.7
267.15839	4.1
269.17471	19.2
275.20029	32.1
281.64819	3.8
283.18872	4.6
290.69617	4.0
309.20389	11.4
331.22379	4.9
335.25797	100.0
349.23633	18.9
489.35663	6.5
529.38702	47.2
569.41888	23.2
609.45337	19.4
821.14447	4.6
821.32367	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	824.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55342	6.1
66.52062	5.9
67.01968	5.9
67.05493	69.0
69.07066	21.2
77.82777	7.0
79.05488	51.5
81.07050	50.0
83.08588	12.7
85.02892	7.2
86.09692	13.5
91.05485	55.0
93.07027	53.4
95.04958	10.2
95.08614	44.6
105.04501	6.5
105.07016	41.3
107.08579	29.3
109.10126	20.2
115.05553	9.8
117.07006	25.3
119.08558	37.0
121.10139	23.4
128.06233	11.7
129.06972	18.9
131.08575	29.6
133.10118	29.7
135.11652	11.8
143.08580	18.9
145.10115	26.5
147.08041	7.3
147.11678	18.5
155.08517	8.6
157.10057	15.1
159.11678	19.0
161.68933	8.9
171.11722	15.9
173.13283	10.5
181.10083	12.9
183.11681	9.9
184.07336	27.7
185.13249	16.5
195.11560	8.1
197.13284	9.0
211.14801	7.9
288.54465	6.9
297.07654	7.3
310.38120	7.3
335.25696	8.9
517.40253	12.3
609.44989	100.0
610.45404	9.3
683.52478	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	825.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57717	2.4
66.48228	2.3
69.36351	2.0
86.59303	2.2
114.84647	2.1
115.29540	2.2
132.73615	2.5
156.76631	2.4
227.05307	3.5
287.07306	3.2
348.56320	2.4
378.70697	3.1
389.10767	3.2
431.11615	3.3
449.12216	4.0
519.09735	2.9
533.30652	3.8
677.34839	5.1
695.36011	11.0
704.26678	3.1
719.36053	5.6
737.37085	29.4
739.35266	5.4
763.35394	7.3
781.35785	39.2
807.33661	17.5
825.35077	100.0
826.34546	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	825.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78773	2.1
70.65337	4.0
98.22835	2.9
120.36498	2.5
154.97737	2.2
218.37926	2.1
222.28122	2.4
227.05370	2.6
245.05045	2.8
266.32336	2.5
297.45193	2.2
332.82129	2.6
389.10464	4.0
431.11752	6.4
449.13263	2.7
533.31116	2.7
544.94171	2.4
695.35760	11.1
719.36249	7.4
737.37073	29.3
739.34796	5.0
763.34863	9.5
781.36200	32.8
807.34283	20.6
825.35028	100.0
826.36255	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	827.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47415	0.4
68.63248	0.5
70.02968	1.4
71.59904	0.5
85.02891	0.6
107.70852	0.5
136.27023	0.5
146.06032	1.4
170.02733	0.5
172.07465	0.6
215.95435	0.5
226.04825	1.3
235.03822	0.5
256.73962	0.6
289.09558	1.6
290.10300	1.2
301.09546	0.5
306.76218	0.5
309.12051	1.4
310.12561	0.7
325.11862	0.7
327.11972	0.6
333.08502	0.9
335.09970	19.1
336.10522	1.0
338.12256	1.0
339.12180	0.7
340.14767	0.7
350.12729	0.6
354.16174	1.4
361.11673	1.8
370.19354	0.7
377.14767	0.8
379.12567	1.4
392.17618	0.8
394.11459	1.2
408.13174	1.8
414.18198	0.9
418.15390	0.5
422.14859	0.9
424.16431	0.7
436.16272	4.1
455.17679	3.2
457.15561	0.7
467.14297	0.8
468.15292	5.5
480.15256	12.1
481.15869	2.4
483.17676	1.9
498.14975	0.6
509.15256	10.8
510.15518	0.7
533.09113	0.6
537.23553	0.6
541.17834	14.8
542.18359	1.4
547.22852	0.7
605.23633	0.7
633.22961	6.0
634.22864	0.7
665.25421	2.7
677.04181	0.6
722.25421	1.4
723.28961	0.8
751.29053	4.0
754.27435	0.7
767.28827	1.6
795.28357	100.0
796.28632	8.6
827.30914	33.8
828.31140	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	827.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	7.3
67.05505	5.0
69.03420	3.6
69.07070	1.5
69.08484	1.7
69.08901	1.3
71.04974	0.9
72.38451	0.4
73.02909	3.8
75.20685	0.4
79.05495	3.5
81.03424	1.4
81.07048	6.3
83.05005	0.5
83.08635	1.2
85.02895	6.4
91.03940	4.0
91.05500	2.0
93.07036	4.9
93.07528	0.5
95.04978	1.3
95.08611	1.5
97.02879	6.3
97.03397	0.5
97.06559	1.1
98.23425	1.1
99.04470	0.8
101.02393	2.7
103.03960	0.4
104.10383	0.4
107.08588	2.6
109.02884	1.0
111.08133	0.5
115.03947	1.0
117.07030	0.8
121.10169	1.3
127.03883	2.6
131.08662	0.6
133.10120	1.2
135.11662	0.5
149.13251	4.3
159.11772	1.4
185.04324	1.0
195.13773	1.2
235.12999	2.6
243.08499	2.0
253.12871	0.5
259.07895	0.4
262.50827	0.5
269.17566	1.0
291.15823	1.3
347.09396	2.7
363.09241	0.6
365.10645	1.3
405.13666	6.2
453.20926	16.2
454.21301	1.1
486.82465	0.5
615.26221	14.6
615.36346	0.7
616.26361	0.6
665.35028	2.7
810.34137	0.6
815.17413	0.6
827.40271	100.0
828.40558	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	827.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	6.6
62.57644	0.5
67.05499	4.4
69.03413	3.5
69.07059	1.3
69.68936	1.4
71.01377	0.6
71.04997	0.7
73.02912	4.9
79.05476	3.3
81.03406	2.8
81.07047	5.3
83.04999	0.8
83.08630	0.8
85.02894	7.0
91.03942	4.7
91.05468	2.4
93.07035	3.6
95.04967	0.8
95.08596	1.3
97.02884	7.2
97.06508	0.7
98.22658	0.9
99.04459	1.3
101.02399	2.3
103.03946	0.5
105.07012	0.8
107.08615	1.5
117.07031	0.8
121.10155	1.7
125.14899	0.5
127.03943	2.2
131.08533	0.7
133.10118	1.2
135.11697	0.9
149.13281	1.6
159.11752	0.8
163.03876	0.8
185.04189	1.2
195.13889	1.7
203.05289	0.8
235.13171	1.2
241.00230	0.5
243.08336	2.4
269.17413	1.5
273.08817	0.6
291.15616	1.3
347.09396	3.4
363.09195	1.1
365.10614	1.5
405.13574	5.1
453.14551	1.2
453.20856	20.8
454.21204	1.2
503.30008	0.8
587.27563	0.6
615.26123	19.1
616.26385	1.2
665.34784	4.9
732.81891	0.6
827.40240	100.0
828.40631	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.7
63.71434	0.9
67.05503	3.7
69.03421	1.9
69.07069	2.1
69.40347	3.9
73.02904	3.4
79.05493	3.2
81.03421	1.2
81.07056	3.2
85.02907	3.1
86.09704	1.1
91.03947	2.1
91.05473	3.5
93.07041	4.3
95.04972	1.1
95.08608	2.3
97.02885	2.6
101.02318	1.5
105.07040	3.9
107.08599	2.6
111.76917	0.8
117.07072	1.6
119.08577	1.2
125.00031	1.3
126.01252	0.8
131.08553	1.2
133.10127	1.9
135.11705	1.1
145.10086	1.2
147.11766	1.3
184.07356	3.6
185.04317	1.0
199.26288	0.8
243.08501	3.1
301.09033	1.0
315.10394	1.2
315.19366	3.5
335.76819	0.9
468.11264	0.9
533.27234	7.3
535.29004	5.9
605.28949	1.5
670.44678	1.0
827.49011	100.0
828.49377	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	829.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03650	0.1
58.32796	0.1
68.99773	0.2
70.23132	0.2
70.23444	0.1
72.38445	0.1
78.98357	0.1
81.03392	0.2
81.54536	0.1
105.07077	0.1
111.00735	0.1
121.02897	0.1
123.04369	0.1
137.02333	2.1
141.06982	0.1
143.04846	0.1
145.02777	0.1
147.04384	0.3
149.02345	0.4
157.06447	0.3
161.05991	0.2
163.03876	0.3
165.01895	0.2
167.04897	0.1
175.03830	0.3
185.05927	0.4
189.05479	0.3
205.05002	0.1
213.05414	1.8
216.04184	0.1
226.44058	0.1
231.06441	0.7
241.04938	1.0
242.05699	0.2
249.60590	0.1
258.05029	0.2
259.06012	0.2
269.04391	0.4
287.05450	100.0
288.05762	3.4
299.05481	0.1
453.59970	0.1
473.11288	0.1
491.06244	0.1
491.11752	3.1
492.12064	0.3
625.15448	5.5
626.15326	0.4
815.64844	0.1
829.20660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.4
67.05500	6.1
69.03422	3.0
69.07058	1.9
69.38850	1.6
71.04980	0.6
71.72850	0.3
73.02910	4.1
79.05483	3.5
81.03418	1.6
81.07051	6.1
83.08599	0.4
85.02893	5.9
87.04483	0.3
91.03945	4.4
91.05450	2.0
93.07042	4.3
95.04983	0.7
95.08595	4.1
97.02889	5.0
97.10155	0.4
99.04475	0.9
99.08154	0.3
101.02375	1.9
103.03932	0.5
105.07009	1.8
107.08553	2.3
109.02891	0.8
109.06522	0.4
109.10121	1.9
114.76818	0.3
117.07010	0.7
119.08585	1.7
121.10119	2.1
123.11697	0.4
127.03915	2.0
131.08592	0.9
133.10130	1.6
135.11694	1.2
137.09607	0.3
145.04921	0.4
145.10101	0.8
147.11713	0.4
149.13300	0.5
159.11740	0.8
161.13300	0.4
171.23711	0.3
185.04274	1.4
243.08389	3.1
333.20346	4.3
335.25894	0.8
389.23325	0.3
439.19235	0.5
453.21005	0.7
519.29248	9.0
520.29736	0.6
551.28217	4.4
578.05444	0.3
655.89838	0.3
670.47107	0.3
731.43408	0.6
829.50598	100.0
830.50873	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	829.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	2.6
66.39073	0.5
67.05500	3.6
68.18182	0.5
69.03424	1.3
69.07067	0.6
73.02921	2.1
79.05492	2.5
81.03431	0.8
81.07063	2.8
83.08662	0.6
85.02905	2.8
91.03955	1.4
91.05489	1.6
93.07030	2.9
95.08627	2.3
97.02872	3.1
99.04444	0.6
101.02392	1.3
105.07039	0.9
107.08609	0.9
119.08666	0.8
121.10112	0.9
127.03973	0.7
148.62404	0.6
184.07419	0.8
243.08405	0.6
277.78906	0.6
320.86453	0.6
519.29333	5.5
551.28271	3.2
829.50629	100.0
830.36072	0.5
830.50854	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	829.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.3
63.12342	0.3
65.98769	0.3
67.05499	3.2
69.03428	2.1
69.07065	0.9
69.15370	0.2
71.05006	0.3
73.02907	2.8
79.05487	3.8
81.03401	1.4
81.07050	2.7
83.04987	0.3
83.08588	0.3
85.02898	3.4
86.09714	0.4
87.04471	0.4
91.03935	1.5
91.05473	3.6
91.05992	0.3
93.07046	3.6
95.04973	0.9
95.08598	1.9
97.02888	2.7
99.04467	0.6
101.02345	1.1
103.03930	0.3
105.04576	0.3
105.07009	2.8
107.08576	1.8
109.02888	0.6
109.10183	0.7
117.07040	0.7
119.08569	2.1
121.10139	1.6
123.64867	0.3
125.00025	0.3
127.03943	1.0
128.57404	0.2
129.05495	0.5
129.07013	0.4
131.08598	1.0
133.10094	1.8
135.11714	1.0
143.08585	0.4
145.04964	0.4
145.10146	0.7
147.11707	1.1
149.13271	0.4
157.10149	0.3
159.11707	0.6
161.13242	0.6
171.11707	0.6
173.13275	0.3
184.07281	1.8
185.04163	1.3
185.07672	0.4
199.14922	0.2
201.03818	0.5
203.05341	0.4
242.22997	0.3
243.08394	2.9
246.25401	0.3
249.79387	0.3
259.08054	0.4
259.20724	0.4
273.14813	0.3
301.09048	1.6
313.09055	0.3
315.10590	0.8
317.20990	0.8
343.13931	0.3
355.13684	0.5
373.11246	0.5
373.23697	0.3
383.16684	0.3
385.18552	0.5
415.24512	0.4
437.21762	0.4
457.89224	0.3
465.20636	1.3
525.22937	1.2
535.28717	12.4
536.29541	0.4
607.30859	1.6
621.32074	0.3
667.45361	0.3
691.40735	0.5
712.07526	0.3
759.42816	0.5
829.50604	100.0
830.50867	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	830.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	4.9
65.27477	1.3
67.05502	8.0
68.99776	3.5
69.03423	39.6
69.07050	3.1
70.34550	1.5
70.34867	3.2
71.01346	3.9
71.04984	4.7
73.02895	3.0
79.05486	2.6
81.03412	37.3
81.07050	6.3
83.01352	1.7
83.04967	6.3
83.08619	4.2
85.02895	73.0
87.00825	33.2
91.03918	1.4
91.05479	3.9
93.07013	3.8
93.23096	1.5
95.04946	4.7
95.08613	10.3
95.73723	1.5
97.02880	34.1
99.04457	12.3
101.02370	1.9
103.03938	4.8
103.05446	2.6
105.01851	28.1
105.07021	3.5
107.04961	1.7
107.08577	2.9
109.02865	49.1
109.06505	1.4
109.10142	6.2
111.04423	8.0
115.05405	2.0
117.01844	2.5
117.07014	2.7
119.04939	1.7
119.08618	1.7
121.02870	1.6
121.10101	3.5
121.55105	1.3
123.04405	10.0
123.11674	2.4
125.02344	4.0
127.03904	72.8
129.01820	4.2
129.05478	2.4
129.06993	1.8
131.04893	5.9
131.08585	3.5
133.06468	1.5
133.10112	4.0
135.08058	6.7
135.11703	1.7
137.05959	9.9
139.03908	3.5
141.06995	3.3
142.79088	1.6
143.08542	3.1
144.05699	1.4
145.04951	14.5
145.06456	10.1
147.02893	1.9
147.04385	2.9
147.11630	1.8
149.05975	15.5
151.03877	6.0
151.07523	3.9
155.08540	5.3
157.06477	2.8
157.10074	3.1
159.02818	7.7
159.08032	6.8
161.05962	3.5
163.03816	2.5
163.07518	26.8
165.05463	2.3
165.09099	8.6
167.08580	2.0
169.04933	12.1
169.10121	4.9
171.02933	3.0
171.08031	4.0
173.05981	4.1
173.09616	4.0
174.06750	2.3
175.03952	2.3
175.07518	6.1
177.09137	4.4
179.08521	2.5
179.10667	5.5
183.08031	5.9
183.11707	3.4
185.09581	7.7
186.10371	1.7
187.05968	6.8
187.07533	18.2
187.11195	3.5
189.03926	13.9
189.09052	12.1
191.10634	24.7
193.04980	5.8
195.08015	4.2
196.08856	2.7
197.09648	9.5
199.11183	3.0
200.08253	2.3
201.09113	13.2
201.12822	3.0
203.10695	7.6
205.10469	2.6
205.12221	20.2
209.09645	2.2
211.05988	2.4
211.11168	6.0
211.14754	4.3
213.03976	13.2
213.09152	3.7
213.12708	2.0
214.09911	5.6
215.10661	17.5
215.14093	1.5
217.05037	1.5
217.12265	5.3
219.13857	1.7
223.11121	1.9
227.10529	2.3
228.11362	3.4
229.12222	22.3
229.15860	5.8
230.12560	1.9
231.04977	22.4
231.13820	3.8
233.06531	3.8
235.05965	4.8
239.14276	13.3
241.12193	10.8
242.13019	2.5
243.13815	15.4
249.06003	8.5
253.07228	2.2
255.04863	2.5
256.14471	9.0
257.15341	76.0
258.15671	2.8
273.06003	44.1
275.16376	43.4
281.19006	15.1
284.17468	1.7
299.20013	100.0
300.20288	3.7
304.61517	1.9
315.07114	3.9
317.21069	54.4
318.21222	2.6
339.07144	6.6
357.08163	4.7
443.07980	5.6
461.09290	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	832.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02136	0.6
65.03917	1.2
69.07079	0.6
79.05481	1.9
81.07047	0.7
89.03923	3.3
91.05459	1.6
95.04990	1.1
97.06511	2.6
103.05366	0.9
105.07030	1.2
107.04970	3.3
111.04431	6.4
115.05418	2.0
115.07561	1.1
117.03367	2.6
117.07032	0.8
119.04908	2.1
123.04434	3.1
128.06189	3.4
129.06996	8.7
131.04909	1.8
131.08560	1.2
133.06502	2.0
135.04404	11.3
137.02328	2.6
137.05978	1.4
138.95679	0.6
139.03879	11.4
141.06995	4.7
142.07809	3.0
143.04912	0.9
143.08565	4.4
144.05724	1.3
145.02786	3.0
145.06470	1.9
145.10164	0.8
147.04396	3.4
150.04417	0.7
152.06213	2.5
153.07033	3.1
154.07744	1.9
155.08577	2.5
157.06494	4.3
157.10123	7.2
159.04401	1.1
159.08049	2.0
160.05185	0.9
161.05963	4.6
163.03893	23.3
165.06982	7.9
166.07697	0.7
167.04828	1.0
167.08545	8.4
168.05704	1.3
169.06456	5.0
169.10120	2.8
170.07195	1.5
171.04401	0.7
171.08078	7.1
173.06015	3.4
173.09605	1.4
174.06760	1.0
175.03845	1.5
175.07579	3.7
176.06335	0.8
177.05502	1.7
177.07004	2.1
179.03426	0.7
181.04945	15.8
181.06490	4.0
183.08034	5.8
184.05177	8.1
185.05969	7.5
185.09586	12.2
186.06726	1.3
187.03894	2.4
187.07541	8.6
189.05446	1.5
189.09119	4.6
191.06995	0.7
193.06450	4.9
195.08044	15.4
197.05984	2.7
197.09587	3.9
198.06660	0.9
199.07469	3.4
200.04645	1.1
201.05495	1.9
201.09097	11.1
202.06226	1.4
203.03403	1.6
203.10632	2.4
205.06483	3.7
205.08385	1.1
209.05988	1.5
211.07501	17.4
213.01839	2.0
213.05763	1.4
213.09076	30.9
214.09532	1.0
215.03381	1.1
215.06999	3.7
215.10741	2.2
217.08598	5.0
221.05946	21.3
222.06409	0.8
223.07574	5.0
225.05453	5.0
227.07056	1.9
229.08614	11.1
230.08902	0.8
231.02820	2.5
231.10117	8.4
233.05978	2.7
233.08076	0.9
237.05452	1.2
237.07568	1.3
239.07022	11.5
241.08588	11.2
242.09067	0.8
243.06458	1.0
247.09636	2.3
249.05457	31.9
250.06046	2.1
251.07059	5.0
252.04115	0.8
253.04918	2.9
255.06511	36.8
256.07065	0.7
257.08084	17.1
259.03851	0.7
259.09644	14.0
261.05453	0.8
265.05038	1.1
266.05743	1.5
267.06506	21.0
269.08008	3.1
271.05835	0.9
275.09180	4.4
277.04938	24.5
277.10651	5.2
278.05466	2.2
279.06500	6.1
281.04504	3.7
283.05991	0.7
293.10141	5.1
294.05365	1.2
295.06006	38.3
297.07523	14.3
298.07706	0.9
299.09091	6.7
305.04382	1.4
307.05948	0.8
307.09366	0.6
313.07162	3.2
321.03821	0.9
323.05469	100.0
324.05829	3.9
325.07031	35.2
341.06494	10.0
343.08102	5.0
419.10492	0.7
507.13837	0.9
509.80859	0.7
553.14825	1.1
571.15387	1.1
599.15411	3.3
617.16370	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	832.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	9.3
69.11593	1.0
69.11994	3.3
74.24040	0.6
77.03909	0.7
79.05487	3.6
89.03912	4.2
91.05453	6.7
93.03399	13.0
95.04929	1.0
98.22565	1.3
107.04944	16.6
111.04434	52.0
112.04839	0.8
117.03360	3.2
119.04910	3.5
123.04427	1.8
125.05992	0.7
128.50764	0.7
129.06981	1.8
131.04884	1.2
135.04402	57.1
136.04712	1.2
137.02339	6.5
137.05952	2.9
139.03883	98.1
140.04243	1.3
141.06961	1.5
143.08545	1.2
145.02867	4.4
147.04373	0.9
152.06311	0.6
153.05505	1.4
153.06984	0.8
155.08539	0.8
157.06502	0.7
157.10033	1.4
159.04385	1.3
160.05180	0.8
163.03889	37.1
165.06961	6.8
167.08528	2.2
169.06458	1.6
171.08022	1.3
175.03773	0.8
175.07512	0.9
176.06305	0.8
177.05495	1.5
177.07050	1.8
181.04936	71.3
183.08034	0.9
184.05183	1.4
185.05956	1.2
185.09637	1.5
187.03880	4.8
189.09047	0.9
193.06479	5.1
195.08046	2.3
197.05983	1.5
201.09036	0.7
203.03340	8.5
205.04927	0.7
205.06560	4.2
209.04405	0.9
211.07556	3.9
213.01883	3.9
213.09045	3.8
215.07048	1.0
217.08473	0.7
221.05945	25.5
222.06319	1.2
223.07541	5.7
225.05457	10.4
226.06021	0.8
231.02837	6.0
231.10214	1.5
233.05994	3.2
234.06512	0.8
239.07053	9.1
241.08463	1.5
249.05444	32.3
250.06071	3.0
251.06967	4.2
252.04132	2.6
253.04951	9.0
255.06432	4.7
256.07074	0.7
259.03827	1.5
259.09625	1.6
261.05475	1.5
266.05621	0.8
267.06512	15.4
268.07068	1.1
269.04620	1.0
269.07947	1.1
271.05927	2.3
277.04935	28.2
277.14975	0.7
278.05606	2.5
279.06534	7.2
281.04410	11.1
284.03030	1.6
285.07376	0.8
294.05072	0.7
295.05991	72.8
296.06293	3.1
297.07593	3.3
299.05945	0.7
305.04309	5.5
313.07037	8.1
319.08136	1.4
323.05453	100.0
324.05853	3.1
325.07071	2.3
341.06506	8.5
342.06894	0.8
365.06461	2.1
411.07120	4.1
447.10568	1.1
475.10001	1.2
493.11115	7.0
497.12094	0.7
503.09460	1.4
517.09698	0.7
521.10748	35.2
522.10876	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	5.6
65.03923	1.6
65.23629	1.2
67.05497	5.5
68.99780	3.9
69.03426	44.8
69.03802	2.2
71.01328	3.3
71.04972	3.7
73.02914	6.2
79.05493	3.0
81.03412	41.6
81.07047	6.4
82.60708	1.1
83.01337	2.8
83.04976	7.8
85.02900	93.0
87.00822	38.9
87.04502	1.6
91.05477	2.4
93.07059	2.3
95.04957	5.2
95.08584	3.9
97.02888	41.0
98.23454	2.1
99.04441	15.5
101.02374	2.2
103.03947	5.8
105.01862	46.9
105.07024	2.9
107.08617	3.0
109.02873	66.4
109.10126	4.1
111.04460	9.3
113.02392	1.5
115.03937	2.5
117.01852	2.2
119.08577	1.4
121.10156	1.8
123.04440	10.6
123.11653	1.1
124.83418	1.3
125.02344	5.4
127.03909	100.0
129.01819	4.0
129.05487	2.1
133.10135	2.6
135.04500	1.4
135.11658	2.0
137.05959	1.5
139.03880	4.4
141.05434	2.0
145.04944	20.1
147.02887	3.3
147.04437	2.1
147.06465	1.8
147.11658	2.7
149.13206	1.8
151.03961	8.2
159.02852	12.6
161.13278	2.0
163.03976	2.3
165.05467	4.4
169.04965	14.9
171.02882	5.6
175.03941	2.5
175.14813	5.1
181.04916	2.1
187.05960	9.4
187.14833	2.5
189.03926	20.4
189.05396	1.3
193.04936	7.1
195.02879	2.4
201.16264	1.3
207.06517	1.9
208.13548	1.1
211.05972	3.4
213.03922	19.9
215.05455	1.3
217.04916	2.5
231.04977	38.1
233.06517	2.1
235.05966	4.2
249.06018	14.2
253.07104	3.4
255.04984	3.9
257.22604	15.1
273.06033	66.9
274.06421	1.8
285.79086	1.4
291.07053	2.0
297.05994	5.0
303.23221	1.4
315.07028	10.1
321.06116	3.1
333.08099	2.7
339.07062	10.6
357.08316	11.5
425.06888	1.7
443.07935	7.6
461.09183	14.6
479.10120	7.4
550.37347	1.3
770.13818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.9
67.05504	5.6
68.99786	4.2
69.03426	42.5
69.07069	3.3
69.17259	8.7
69.42802	1.2
71.01366	3.1
71.04990	5.7
73.02914	5.1
79.05491	2.6
81.03413	41.3
81.07063	6.9
83.01363	1.5
83.04979	10.2
83.08631	1.6
85.02901	83.1
87.00823	32.5
91.05479	2.3
93.07027	3.2
95.04976	6.6
95.08627	5.1
97.02258	2.4
97.02886	43.3
99.04449	17.4
101.02385	2.1
103.03946	6.4
105.01865	34.7
105.02534	2.5
105.07040	3.1
107.04977	1.4
107.08588	4.3
109.02872	61.5
109.10167	5.2
111.00792	1.6
111.04410	7.1
115.03922	2.1
117.01854	3.8
119.08581	6.0
121.10181	2.3
123.02812	1.4
123.04417	8.5
125.02356	5.9
127.03911	100.0
129.01822	4.6
131.08566	1.7
133.10139	3.6
135.11714	2.0
137.02251	1.7
137.05960	2.0
139.03876	4.4
145.04967	16.6
145.10088	2.7
147.02925	2.1
147.11662	8.5
148.75758	1.4
149.13255	3.6
151.03902	9.0
159.02853	11.7
159.11702	5.6
161.13234	4.7
163.03879	2.3
163.14868	1.8
165.05478	3.2
169.04933	10.9
171.02892	4.2
173.13283	8.8
175.03902	2.2
175.14809	6.8
179.10625	1.9
180.66809	1.4
187.06024	7.3
187.14825	2.8
189.03925	18.8
189.05443	2.4
193.04933	6.9
193.12256	4.7
201.16383	3.9
207.13934	1.7
211.05896	3.3
213.03926	14.7
215.18033	1.5
217.04980	1.9
221.15320	7.2
231.04988	29.0
233.06639	1.7
235.06041	4.7
249.06113	9.7
253.07004	3.7
255.05009	3.1
257.22589	13.4
269.06653	2.4
273.06039	56.0
273.09003	3.1
274.06577	1.7
297.06122	3.4
303.23148	10.1
315.07037	8.3
321.06122	2.0
339.07074	11.1
355.01392	1.4
357.08130	9.2
425.07019	2.1
443.08411	7.7
461.09259	13.7
479.10425	3.8
485.37622	1.7
505.27835	1.9
818.54547	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11870	3.5
58.29597	3.5
60.26976	3.6
61.02949	3.7
67.05504	9.5
67.42441	3.8
69.03426	39.7
69.42288	12.2
69.42713	7.9
74.57079	4.0
79.05480	10.7
81.03417	42.6
81.07043	19.3
83.04961	6.7
85.02900	78.3
87.00821	35.2
91.05480	12.8
93.07046	11.2
95.04971	10.2
95.08608	18.0
97.02892	42.7
99.04459	15.3
101.96272	4.0
103.03931	8.5
105.01848	32.7
105.07036	16.1
107.08584	6.0
109.02870	58.6
109.10158	10.3
111.04474	7.2
119.08574	15.4
121.10144	7.9
123.04420	17.5
125.02293	8.3
127.03902	100.0
133.10117	6.0
135.04434	11.1
139.03920	5.9
145.04956	20.5
145.10156	12.5
147.11684	11.3
151.03893	5.9
159.02899	12.3
159.11678	10.5
161.13324	8.7
163.03883	8.2
163.11226	4.7
166.51984	3.6
169.04944	11.3
169.10034	4.0
171.11742	5.9
175.14923	4.9
185.13136	4.2
187.05943	6.0
187.14722	5.6
189.03873	21.7
193.04971	9.5
199.14874	5.1
201.16351	7.5
213.03961	21.8
217.15927	5.9
231.04922	34.1
233.06274	4.3
235.05981	4.6
235.96408	3.8
247.04541	5.2
249.05975	11.2
255.04990	4.5
267.21155	14.2
273.06046	52.2
273.22220	5.2
285.22202	33.2
295.05991	6.8
313.06961	6.9
315.07138	11.3
333.08453	4.4
339.07242	10.6
357.07932	10.0
443.08145	6.9
461.09076	11.5
479.10458	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	834.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.4
65.03928	2.0
67.05505	5.3
68.99789	5.5
69.03425	44.3
69.07059	2.5
69.80552	1.8
71.01361	3.6
71.04987	4.5
73.02913	7.5
79.05492	8.3
81.03411	46.6
81.07053	8.8
83.01344	2.3
83.04980	7.6
83.08614	1.9
85.02899	94.4
86.03259	0.8
87.00823	38.4
91.03972	1.9
91.05478	3.6
93.03413	1.6
93.07039	1.9
93.21672	0.8
95.04953	5.6
95.08606	5.1
97.02889	44.6
97.06552	1.2
97.10162	1.2
98.22784	1.0
99.00780	0.8
99.04449	15.2
101.02372	3.2
103.03934	5.9
105.01862	39.2
105.07019	6.9
107.04952	3.8
107.08595	3.5
109.02871	61.6
109.06530	1.4
109.10167	3.1
111.00835	1.2
111.04435	10.4
113.02346	1.4
115.03938	2.1
117.01863	3.0
119.04962	1.4
119.08589	2.3
121.02931	1.2
121.06552	0.9
121.10140	1.7
123.04428	12.0
123.11691	1.1
125.02346	6.1
125.05992	9.3
125.13289	1.1
127.03905	100.0
128.04279	1.8
129.01820	5.3
129.05482	1.9
131.08635	1.1
133.06494	1.8
133.10138	3.4
135.04361	5.4
137.02325	1.6
137.05994	1.5
139.03903	7.3
141.05464	2.1
145.04955	18.1
145.10120	2.3
147.02899	2.7
147.04427	2.1
147.06491	1.6
147.11674	2.0
151.03891	9.3
151.14746	1.5
153.01770	1.1
159.02867	11.6
159.06502	1.1
159.11690	1.0
161.09644	2.7
163.03915	2.6
165.05484	3.8
169.04968	11.6
171.02945	4.3
171.04144	0.9
173.05815	1.0
173.13271	1.6
175.03972	1.6
175.11162	3.1
175.14787	1.3
181.04939	3.6
183.03006	1.4
187.05988	8.9
189.03928	16.6
189.05432	1.3
191.03442	1.0
193.04909	7.2
195.02986	1.1
201.16379	1.7
203.14322	1.7
203.17685	0.9
206.93590	0.8
211.06017	3.1
213.03935	20.1
215.05490	1.7
217.04965	2.3
221.06018	2.0
221.15303	0.9
229.03401	1.2
229.07066	1.6
231.04976	28.6
233.06673	2.7
235.05920	4.4
249.06018	11.4
250.05927	1.3
253.07053	3.1
255.04936	3.8
257.22742	1.3
269.06696	1.4
273.06030	60.1
278.05307	1.3
285.22113	10.3
291.07132	1.8
295.05865	2.1
296.06284	1.6
297.06137	2.6
302.59180	0.9
303.23181	7.3
315.07126	6.5
323.05420	1.2
333.08148	2.7
339.07120	10.2
357.08096	7.1
425.07263	1.8
427.34641	1.0
443.08157	8.4
461.09213	9.8
479.10184	3.6
489.84189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	2.2
67.05506	9.9
69.03423	2.2
69.07056	4.5
69.66110	3.5
69.66462	4.6
71.05001	5.3
74.53947	1.7
79.05482	16.7
81.07052	16.0
83.04974	10.4
84.61722	1.5
85.06550	7.2
88.64530	1.6
91.05479	46.2
93.07041	18.9
95.04964	27.0
95.08589	8.2
97.06527	4.7
103.05476	5.1
105.04508	2.2
105.07028	67.4
105.62007	1.6
107.04951	3.9
107.08597	14.8
109.06529	8.7
115.05447	10.7
116.06218	3.5
117.07014	66.7
119.04904	3.0
119.08589	21.9
121.06522	5.8
121.10139	5.3
123.08089	4.8
125.05981	1.9
125.09565	1.8
128.06229	22.3
129.06996	49.2
130.07776	13.7
131.08560	46.9
133.06476	9.0
133.10152	18.1
135.08017	5.4
137.05959	1.7
141.07004	6.7
142.07773	19.0
143.08551	65.9
144.09117	2.0
145.06461	5.9
145.10120	100.0
146.10423	2.7
147.08051	11.1
147.11726	4.0
149.09622	7.7
153.07002	6.9
154.07735	3.0
155.05949	2.7
155.08562	29.5
156.09344	10.0
157.10112	36.5
158.07257	3.5
159.08040	5.7
159.11734	14.9
161.09615	17.8
161.13287	4.2
163.03706	2.0
163.07674	2.0
163.11240	3.3
165.07002	7.4
167.08524	2.7
169.10106	9.6
170.10916	6.2
171.08017	6.5
171.11656	18.9
173.09615	98.0
173.13254	2.8
174.09956	3.5
175.11163	9.3
175.14822	4.9
179.08611	2.6
179.10707	1.9
180.09332	7.2
183.11743	3.8
185.09656	3.3
185.13258	44.4
187.11154	6.6
189.12724	8.4
191.10594	11.0
195.11678	17.2
198.10455	3.0
201.12772	5.1
203.14304	22.5
213.12714	47.7
215.10564	1.8
231.13783	96.7
232.14169	2.7
233.11681	13.4
249.14876	10.5
273.14835	4.4
291.15964	5.5
309.16968	5.8
313.27252	2.1
345.56863	1.9
376.61398	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	4.1
67.05500	11.7
69.03436	2.3
69.07069	3.3
69.26663	5.7
71.04995	3.5
79.05495	17.8
81.03418	1.3
81.07050	23.9
83.04967	5.9
85.06527	7.8
85.11146	1.6
91.05466	40.6
93.07036	19.8
95.04960	25.9
95.08617	11.1
97.06519	4.8
99.04420	1.9
99.08141	1.9
103.05459	3.2
103.67017	1.4
105.04482	2.2
105.07020	63.1
106.07345	1.4
107.04945	3.4
107.08585	17.5
109.06516	7.4
109.10168	4.1
115.05434	11.2
116.06230	3.6
117.07007	52.5
119.04939	2.9
119.08571	23.2
121.06495	7.5
121.10142	5.0
123.08026	3.2
128.06209	23.6
129.06999	39.4
129.07973	1.9
130.07777	13.5
131.04936	1.3
131.08556	47.4
133.06511	7.9
133.10121	16.2
135.08032	7.5
137.05960	1.5
141.06993	7.8
142.07771	15.6
143.08551	58.6
144.09264	2.6
145.06464	9.4
145.10109	100.0
146.10449	2.6
147.08049	9.8
147.11681	6.0
149.09602	15.2
151.07552	4.5
153.06967	4.6
154.07736	3.7
155.06032	4.1
155.08534	26.2
155.34981	1.6
156.09344	7.8
157.10120	30.2
158.07249	4.2
159.08066	6.4
159.11658	11.8
161.09587	18.8
161.13249	4.0
163.11169	2.4
165.07016	8.9
167.08553	3.4
167.10663	2.9
169.10143	10.5
170.10904	5.2
171.08041	12.7
171.11673	18.7
172.08694	1.6
173.09605	96.3
173.13123	2.5
174.09959	2.1
175.11188	8.9
175.14830	4.6
180.09344	5.4
183.08067	2.8
183.11667	2.9
185.09682	3.1
185.13240	35.3
187.11145	3.2
189.09033	2.3
189.12756	5.4
191.10617	10.3
195.11659	18.8
198.10391	4.9
201.12723	6.2
203.14290	30.9
213.12721	59.8
219.13741	1.7
231.13777	73.1
232.14175	2.8
233.11696	8.5
249.14758	7.2
273.14880	2.4
291.15924	7.1
309.16965	1.8
335.25613	1.4
362.21024	1.3
615.90009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31767	12.5
67.05479	15.8
69.09039	100.0
76.81091	13.4
77.12300	12.6
78.63213	11.3
79.05482	19.9
81.07047	17.9
87.11115	14.3
95.08561	16.3
216.14209	15.2
313.27350	27.4
355.09888	14.1
367.90192	19.3
740.44385	13.8
745.90063	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	835.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.4
65.03923	0.3
67.05501	1.4
69.03416	1.1
71.43546	0.3
71.43952	0.4
79.05453	0.8
80.04980	0.3
81.03391	1.2
81.07024	0.5
81.30131	0.3
82.06554	0.5
83.04946	0.3
85.02907	1.9
89.03881	1.2
91.05453	0.8
93.07007	1.1
94.06560	2.6
95.04912	0.5
95.07349	0.8
96.08122	3.0
97.02877	1.1
97.06562	0.5
97.95706	0.3
99.04442	0.3
103.14553	0.3
105.06978	0.4
106.06528	1.0
107.04921	0.5
108.08092	2.9
109.02876	0.7
110.09670	3.2
111.04451	0.4
116.04967	3.4
117.03392	0.6
119.04913	0.3
120.04432	0.4
120.08076	2.4
121.06490	0.3
122.06017	6.9
122.09608	0.6
123.04441	0.4
124.07576	5.3
127.03902	0.6
134.05997	0.4
135.04399	1.5
135.06750	0.3
136.07558	5.3
138.05479	0.3
138.09119	3.7
139.03889	0.5
140.07050	1.2
144.04428	7.8
145.02826	0.7
146.05963	1.8
148.07516	1.9
150.05492	2.4
150.09103	0.7
152.07069	2.0
158.09642	0.4
160.03911	0.6
162.05498	3.1
163.03893	5.3
164.04182	1.3
164.07089	0.5
165.04208	0.3
166.08618	8.0
167.07144	0.3
168.06557	1.4
170.09605	0.5
172.03915	48.9
172.07521	1.0
173.04269	1.2
174.05489	1.1
176.06995	0.5
177.05402	0.4
181.04933	0.4
182.08124	1.8
182.11607	0.3
183.09113	0.4
185.10696	1.7
186.09088	0.4
186.11453	0.4
187.12271	0.5
190.04961	12.4
191.05402	0.5
192.06491	0.4
196.07516	0.5
197.08391	0.3
197.10698	0.5
198.09114	2.1
199.08623	0.9
199.12263	0.6
200.13181	0.6
201.10165	2.6
204.06534	84.2
205.06897	2.0
211.08475	0.6
211.10204	0.4
211.12209	0.5
212.07184	0.3
212.10779	2.1
213.10132	3.1
213.13750	0.3
214.10890	0.7
214.12720	0.3
215.11861	1.9
218.08246	0.7
218.59933	0.3
222.07510	0.6
223.12320	0.5
224.07074	0.4
225.08066	0.4
225.10204	3.7
226.08723	0.5
226.10942	0.9
227.08125	2.7
227.11685	1.4
228.08806	0.5
228.12498	1.1
229.09705	1.9
229.13213	1.5
230.14163	0.4
236.09460	0.6
238.11006	0.4
239.09637	0.5
239.11806	1.2
240.10167	0.8
241.09685	5.3
241.13326	3.7
242.08348	0.4
242.10445	11.3
243.11234	4.8
244.09714	0.4
244.11978	1.2
247.10832	0.5
249.10150	0.5
251.11784	0.9
253.13435	0.4
255.11275	1.8
256.12039	8.6
257.10391	0.5
257.12811	9.1
258.11172	2.0
258.13641	1.5
259.10822	0.5
264.08975	0.4
267.11295	1.5
269.09174	0.6
269.12750	0.5
271.14487	0.6
272.12772	1.0
273.12164	0.5
274.13730	0.4
279.11237	1.8
281.13046	0.4
282.11145	0.3
283.10797	0.7
284.11523	5.9
285.09558	0.4
285.12369	3.0
286.13007	0.5
287.10306	2.1
289.12015	0.6
289.15396	4.8
297.12350	2.9
299.10269	0.6
299.13623	0.8
300.91586	0.3
301.11819	0.9
302.12518	3.3
303.13129	0.5
307.10611	1.4
308.11514	0.3
311.13806	0.3
313.11536	0.4
315.13403	1.0
317.14911	100.0
318.15280	3.5
324.05881	0.3
325.11774	13.1
329.11258	1.4
329.14911	1.1
334.08960	0.7
339.13287	1.4
340.13974	0.4
341.15112	0.7
343.12833	3.0
356.13864	0.4
357.14398	24.4
358.14810	1.1
366.12006	0.5
386.14948	0.3
430.17444	0.4
432.19067	0.5
438.14075	0.4
460.18759	0.4
469.15768	0.5
476.18170	2.3
487.17035	8.4
488.18073	1.6
508.20535	1.1
519.19678	1.3
597.26758	1.4
609.23456	1.9
613.26111	0.5
623.24878	0.7
641.15240	0.6
641.25989	11.3
642.26093	1.2
673.28748	1.4
759.31958	0.7
771.28033	0.6
803.31036	3.7
804.30798	0.4
835.29779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90805	0.7
61.02923	1.9
69.03413	4.5
70.55933	1.7
79.05486	0.7
81.03416	1.8
85.02891	6.7
87.04492	1.0
91.05489	1.3
93.05736	0.7
93.07039	1.9
93.11885	0.7
94.06558	3.6
95.07338	2.0
96.08114	4.4
97.02869	2.1
97.06487	0.9
98.35170	0.7
99.04416	0.7
108.08109	9.3
110.09664	7.1
120.04432	0.8
120.08095	7.5
122.06016	11.7
122.09653	1.6
124.07544	1.5
127.00683	0.8
134.05988	2.2
136.07552	11.5
138.05559	0.9
138.09114	11.0
148.07568	5.2
150.09158	3.8
152.56700	0.9
166.08612	18.7
174.09103	0.9
175.03661	1.5
194.08214	0.9
199.08682	0.8
209.10754	3.7
221.10760	1.0
223.12270	1.5
225.10223	1.7
235.08694	2.8
236.09409	3.6
237.10194	18.4
238.10638	1.0
239.08127	0.9
239.11806	1.7
248.09352	1.0
249.10207	15.6
250.07434	0.9
250.11028	3.8
251.07979	1.4
251.11798	7.6
253.09741	3.3
255.11133	1.1
256.80707	0.8
261.10184	2.6
263.08075	1.5
263.11749	1.2
264.08948	11.3
264.11752	1.3
265.09656	10.6
266.10165	1.7
267.11237	6.5
269.08987	1.2
276.09027	1.4
277.09680	16.4
278.10370	5.1
279.08264	1.4
279.11243	16.1
280.08478	1.2
280.12015	1.9
281.09247	4.5
282.09796	0.9
283.10809	1.2
284.11444	0.9
285.12283	1.0
289.09708	2.0
291.07648	2.7
291.11115	1.8
292.08304	3.7
292.11621	1.4
293.09161	37.4
293.12750	7.8
294.09705	3.1
294.13190	1.5
295.10751	3.6
297.12027	1.5
304.07962	0.9
305.09174	13.0
306.09970	2.1
307.10739	13.7
308.11255	1.3
309.08618	3.6
309.12338	4.3
310.09567	0.9
311.10251	2.9
311.13776	2.0
312.10980	1.9
313.11844	3.8
313.15125	1.0
314.12741	1.0
319.10715	1.9
321.12262	1.5
323.10239	9.4
323.13812	1.4
324.10895	2.2
325.11749	6.9
326.12860	1.6
327.13406	3.6
328.14059	1.0
333.08606	7.2
335.10114	1.8
337.11966	4.4
338.12677	0.9
339.13364	11.9
341.15140	1.8
342.12280	1.1
342.16107	1.1
343.12872	1.7
351.09689	37.7
352.10199	1.7
353.11206	3.2
353.14981	3.2
354.11935	2.3
355.12900	4.9
356.13660	2.1
365.11298	4.3
366.12033	13.2
367.12704	2.6
368.14020	2.1
369.14542	2.4
370.11578	2.3
370.15683	1.2
371.12286	7.6
379.12909	1.0
382.11499	1.4
382.15817	1.3
383.12354	18.7
384.12872	2.0
384.17212	1.7
385.13925	7.0
386.14526	1.1
392.13913	1.0
397.13867	6.5
398.14618	3.2
398.19077	1.1
399.15515	2.5
400.16275	1.5
410.14664	1.0
412.16479	1.5
416.15906	1.5
418.17322	2.4
428.15872	3.0
430.17349	1.6
438.14325	5.2
446.17047	11.9
456.15631	4.7
458.17108	4.2
460.18628	1.2
476.18045	8.4
478.19574	3.9
486.16495	4.4
488.18027	3.6
490.19745	1.5
504.17508	1.8
508.20944	1.1
518.19214	10.0
519.19818	6.5
520.20313	1.1
536.20264	16.6
537.20526	1.0
550.21826	11.6
551.22424	5.5
608.22089	1.2
609.23804	5.7
623.24658	2.7
640.24597	2.4
641.25940	27.9
642.26385	1.7
662.23163	2.7
680.13062	1.5
680.24408	29.8
681.25165	16.4
682.25317	1.6
712.27100	5.2
713.27777	100.0
714.28204	8.6
803.30438	2.5
835.30731	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	836.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	30.0
69.03429	5.4
69.07071	26.9
69.22733	7.1
69.23138	3.4
79.05482	25.5
81.03412	4.6
81.07056	30.5
83.04988	2.7
83.08638	7.8
86.88963	1.7
91.05470	32.5
93.07037	19.8
95.01328	3.0
95.04957	7.7
95.08591	19.1
97.02872	4.8
97.06519	23.5
97.10159	7.4
105.07021	41.3
107.04920	9.8
107.08571	10.2
109.06532	2.8
109.10174	5.9
111.04449	2.6
115.05493	3.0
117.06988	9.4
119.08562	23.6
121.06554	2.9
121.10139	7.3
123.04549	2.3
123.08069	3.7
125.09588	4.6
129.06976	2.7
131.08577	9.4
133.10098	21.3
135.08069	2.8
135.11687	5.2
141.06908	2.1
143.08508	4.5
145.10100	12.8
147.08043	2.8
147.11676	7.5
149.09563	3.4
149.13315	2.4
149.61629	2.5
159.11722	4.8
161.13277	3.3
179.14304	9.1
184.07419	4.2
189.11156	3.2
205.12216	2.0
208.04051	2.1
214.01683	1.9
223.13310	9.6
227.12877	3.3
257.19009	5.8
259.15417	2.0
273.18488	8.8
275.20047	61.2
291.19531	51.7
293.21262	4.1
349.23752	27.6
365.23199	38.8
541.34790	3.4
621.40973	3.7
639.42487	100.0
640.42957	5.7
657.43207	2.0
785.14392	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	837.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	0.7
69.03431	2.4
79.05477	1.3
81.03419	1.1
85.02907	2.5
93.07061	1.0
94.06557	3.4
95.07356	1.4
96.08152	2.3
97.02882	1.3
98.22668	1.1
99.04472	0.6
106.06543	0.9
107.07336	1.2
108.04481	1.0
108.08105	6.2
110.09664	3.8
116.05006	1.1
120.04494	1.8
120.08144	3.5
122.06026	3.9
122.09686	2.0
124.07595	1.8
132.08076	0.8
134.06065	1.4
136.07559	8.0
138.09123	6.5
138.10042	0.8
144.04474	2.6
146.06065	1.6
148.07564	2.7
150.09100	3.2
152.07076	1.2
162.05505	2.0
164.07068	1.0
166.08623	14.6
172.03917	16.2
174.05432	0.9
174.54417	0.7
176.07072	0.9
180.10315	1.2
182.11874	0.6
190.04976	4.5
194.08208	1.2
196.09860	0.6
197.10660	1.0
204.06537	28.9
209.10811	0.9
210.09210	0.8
210.11403	0.6
211.08745	1.1
211.12248	0.6
212.09517	1.3
223.08694	1.2
223.12329	0.9
224.09456	1.1
225.10172	4.9
227.11729	4.5
235.08664	0.9
236.09470	1.7
237.10162	4.6
238.10881	1.2
239.11900	2.4
241.09647	1.4
248.09334	1.3
249.10257	3.9
250.10944	1.8
251.08159	1.6
251.11842	3.8
252.08981	0.7
252.12555	0.9
253.09718	5.2
253.12250	0.7
254.10449	0.7
255.11354	1.5
261.10287	2.1
262.11005	1.3
263.11807	2.1
264.08685	0.8
265.09683	6.9
265.13580	0.7
266.10504	1.6
267.11270	4.5
269.10049	0.7
269.12744	3.7
271.10727	4.4
273.12381	1.3
277.09726	2.0
278.10544	2.3
278.47662	0.6
279.07788	2.2
279.11353	10.2
280.12091	1.4
281.09338	1.8
281.12918	2.0
283.10782	5.2
284.11658	1.7
285.12378	2.5
286.13205	1.4
287.13858	8.5
289.09677	3.9
291.11374	2.1
293.09283	3.2
293.12967	3.3
294.09973	2.4
295.10803	2.1
296.11581	1.8
297.09042	0.9
297.12268	3.5
299.10352	1.6
299.14035	1.6
301.11844	0.7
307.10742	2.7
308.11414	0.7
309.09055	0.7
309.12463	2.5
311.10297	4.2
311.13760	1.5
312.11276	1.1
312.14972	0.8
313.12100	1.9
314.12671	1.5
316.14362	0.7
321.12415	0.9
323.10278	2.9
323.13727	0.6
324.11230	1.8
325.11749	7.4
326.12631	2.2
327.13525	5.7
327.17093	1.0
328.10712	0.9
328.14093	0.9
329.15198	1.3
335.10190	4.0
337.11880	1.9
339.09622	0.9
339.13358	25.0
340.10556	1.0
340.14139	1.2
341.11392	1.0
341.15109	0.8
342.12381	1.4
342.16156	1.1
343.13123	1.2
353.11475	1.9
354.12161	2.2
355.12903	8.3
356.13919	2.1
357.14438	15.6
358.15305	1.7
367.12897	13.0
368.13708	0.8
370.15573	1.4
371.12271	1.1
371.16364	1.3
372.13208	0.8
382.12051	1.4
384.13065	1.2
385.13913	1.1
386.14798	1.4
386.19019	1.4
387.15515	2.0
388.16409	0.8
390.18307	1.0
398.14883	4.8
399.15628	12.3
400.16443	1.5
404.16080	1.5
414.18399	1.6
416.16034	3.6
428.15958	0.9
430.17828	1.6
440.15945	1.8
446.17133	2.4
449.20007	0.8
458.17142	7.7
460.18552	1.7
478.19785	1.8
480.93344	0.7
488.18051	2.1
490.19656	5.9
492.21463	2.2
502.19806	0.8
506.19159	1.1
520.20496	6.8
552.23370	9.3
569.24005	1.0
589.07025	0.6
593.23761	0.9
611.24933	33.2
612.25366	2.1
643.27563	24.4
644.27979	2.1
650.23724	0.7
682.26111	7.0
683.26111	0.8
714.28589	100.0
715.28894	8.3
773.30365	3.9
805.32758	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	2.3
65.03941	1.4
65.09205	1.1
67.05486	1.2
69.03406	6.1
73.02900	1.3
74.43063	1.0
79.05474	3.0
81.03395	2.5
82.85377	1.0
85.02905	7.3
89.03897	1.1
91.05450	2.0
92.05020	1.5
92.80619	1.2
93.05780	1.8
93.07035	2.9
94.06551	8.9
95.07320	3.5
95.45695	1.3
96.08127	8.2
97.02876	4.2
99.04462	1.4
103.05446	1.3
106.06557	2.1
107.07321	1.9
108.04449	2.7
108.07465	1.9
108.08112	17.0
108.89982	1.0
109.02878	2.3
110.06039	1.6
110.09669	15.9
114.02925	1.1
116.04987	3.0
117.73582	1.1
118.06541	1.3
120.04434	4.5
120.08095	12.4
122.06029	11.8
122.09673	4.4
124.07586	8.4
127.03988	1.5
132.08060	1.4
134.06007	4.8
136.07565	18.8
138.05473	1.8
138.09132	25.0
144.04448	4.3
146.05995	8.3
148.07562	9.9
150.09123	6.7
152.07054	5.3
160.03906	4.4
162.05475	4.3
163.03828	1.2
164.07072	3.8
166.04967	1.4
166.08629	42.0
172.03925	26.2
174.05545	3.8
176.07036	3.5
190.04974	21.9
192.06581	1.2
194.08136	2.8
196.52612	1.1
197.10716	3.8
198.11409	1.4
199.12398	2.0
204.06535	37.5
206.09735	1.1
209.10762	2.7
210.09248	2.4
210.11531	1.3
211.08720	3.5
211.12199	3.0
212.09421	4.0
213.10217	3.0
220.09828	1.3
221.10626	1.1
222.11331	1.5
223.08669	1.7
223.12320	3.2
224.09409	2.5
225.10222	16.1
226.10876	2.7
227.11768	15.3
233.10742	1.9
235.08656	2.3
235.12231	1.6
236.09435	3.7
237.10248	11.9
238.10922	4.7
239.08191	2.4
239.11757	10.9
240.08772	1.6
240.12373	1.6
241.09698	10.5
241.13342	1.3
245.12737	1.7
248.09373	2.5
249.10197	9.3
250.10913	3.3
251.08072	1.8
251.09247	1.4
251.11803	13.0
252.08916	4.2
252.12563	2.4
253.09747	14.2
253.13339	2.4
254.10350	2.2
255.11264	8.7
257.12766	1.6
261.10107	6.2
262.10892	2.5
263.08276	2.7
263.11737	7.6
264.08835	6.0
265.09695	16.5
266.10403	3.1
267.11212	17.6
268.11908	1.8
269.12802	18.2
270.09756	1.3
271.10751	15.1
271.13800	1.8
273.12314	2.9
276.08978	1.3
277.09708	7.3
278.10449	4.5
279.08029	2.1
279.11203	20.1
280.11887	4.0
281.09177	7.0
281.12784	6.3
282.09964	3.1
283.10770	12.6
284.11475	6.3
285.12250	8.0
286.13220	1.9
287.13901	14.8
289.09726	12.3
291.11240	4.5
292.12006	1.7
293.09134	10.7
293.12784	5.9
294.09827	4.8
294.12997	1.4
295.10727	8.1
295.13766	1.5
296.11462	4.6
297.12277	13.9
299.10205	3.5
299.13815	5.2
300.11005	8.5
300.14267	1.8
305.09137	1.8
306.09937	1.3
307.10760	7.0
308.11462	3.1
309.12198	9.7
310.13019	2.1
311.10199	6.1
311.13831	3.4
312.10986	6.9
312.14828	3.2
313.12115	4.3
314.12625	7.0
315.13412	19.9
316.14273	2.4
321.08698	1.8
321.12323	2.3
323.10205	9.8
323.13870	3.0
324.10999	2.0
325.11743	26.9
326.12534	5.2
326.16040	1.6
327.13501	14.5
327.17239	2.2
328.10709	3.6
328.14456	3.6
329.11438	1.4
329.15018	2.4
330.12149	1.5
330.15717	2.5
331.16534	1.9
335.10284	15.5
337.11716	4.1
339.13376	37.9
340.10632	3.8
340.14362	2.1
341.11526	2.9
341.15320	2.5
342.12283	6.9
342.16010	2.6
343.13022	7.3
343.16711	1.6
344.13794	2.0
353.11172	8.9
354.12192	4.9
355.12866	14.9
355.16913	1.3
356.13861	7.8
357.10321	1.9
357.14432	23.2
358.15506	6.1
365.11288	3.5
367.12897	29.1
368.13556	2.6
369.14468	2.3
370.15601	7.2
371.16336	2.6
372.17133	2.4
378.18082	1.3
382.11810	3.2
383.12479	2.6
384.13278	4.1
385.14191	3.0
386.14722	3.2
386.18723	3.0
388.16635	1.8
390.18176	4.7
394.15445	1.9
397.14636	2.5
398.14911	18.8
398.19589	2.1
399.15735	26.8
400.16217	3.8
402.18112	1.5
404.15903	7.7
412.16565	1.8
414.17999	4.4
416.16016	19.4
417.16483	1.7
418.17371	1.7
420.19116	1.7
422.16772	1.7
428.16049	4.5
430.17548	4.6
432.19095	1.2
440.16135	9.1
441.14645	2.4
442.17239	1.5
444.19263	1.9
446.16733	10.2
450.20679	1.5
458.17084	30.1
460.18347	4.8
462.20297	1.3
478.19739	5.5
480.21207	4.1
487.16934	9.5
488.18066	10.2
490.19775	10.3
492.20926	2.9
506.19135	7.1
519.19873	1.6
520.20673	9.6
521.20917	1.3
541.24200	1.5
552.23389	2.4
567.25922	1.8
569.23834	4.8
582.24152	2.2
583.25885	1.7
593.24158	5.1
611.24921	100.0
612.25336	7.1
626.24139	2.4
632.22491	1.3
642.26648	15.5
643.27588	21.8
644.27606	3.1
650.23419	10.8
651.24103	2.7
682.25983	92.8
683.26587	22.8
684.26984	1.9
714.28528	15.0
715.29486	13.1
773.30243	37.0
774.30322	2.5
805.32294	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	837.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.3
69.03424	2.9
70.93830	0.6
72.35112	0.6
73.02862	0.7
79.05494	1.2
80.05025	0.9
81.03421	1.9
83.90793	0.6
85.02898	4.2
87.04464	0.9
91.05477	1.4
93.07044	1.9
94.06569	2.7
95.04983	1.0
95.07333	1.7
96.08118	4.5
97.02896	2.8
98.47678	0.5
106.06602	1.1
107.07348	1.1
108.04443	1.3
108.08115	8.9
109.02853	1.4
110.06089	0.7
110.09672	6.3
120.04462	1.9
120.08098	6.1
122.06016	6.5
122.09655	3.3
124.07585	2.8
127.03890	1.2
134.05983	1.4
136.07568	10.8
138.05519	0.8
138.09113	10.7
141.04424	0.6
144.04471	1.0
146.05997	3.8
148.07561	5.3
150.09131	6.4
152.07076	2.0
160.03964	1.1
162.05481	1.6
163.03947	1.8
164.07077	1.8
166.08624	22.2
172.03955	6.7
174.05524	0.9
176.07106	1.1
176.10669	0.8
177.61667	0.6
181.04929	0.7
182.09599	0.7
190.04999	7.4
194.08116	0.8
196.09811	1.1
197.10768	1.4
199.12231	1.4
204.06535	11.2
208.09903	0.8
209.10791	1.7
211.08652	1.7
211.12354	0.9
212.09424	1.6
213.10333	1.2
220.09535	0.7
223.08571	1.1
224.09378	1.8
225.10194	6.3
226.10901	1.1
227.11749	5.4
232.53662	0.8
233.10756	1.0
234.11494	0.8
235.08774	1.4
235.12296	1.3
236.09407	1.1
237.10162	8.8
237.12282	0.9
238.11015	1.9
239.08138	1.1
239.11758	3.9
240.12367	1.2
241.09767	3.6
245.12755	0.7
248.09416	1.3
249.10205	6.0
250.11040	2.1
251.08273	1.5
251.11755	6.0
252.08856	1.3
252.12515	1.8
253.09784	6.1
253.13416	1.2
254.10338	1.1
255.11267	3.5
257.12869	0.8
261.10190	3.8
262.10968	1.3
263.08206	1.1
263.11859	5.6
264.08920	1.4
265.09738	8.8
265.13123	1.2
266.10522	2.6
267.11234	9.6
269.09552	0.9
269.12897	5.9
271.10748	4.8
273.12369	2.0
277.09659	2.9
278.06784	0.9
278.10489	4.1
279.07733	2.1
279.11197	13.2
280.08817	0.6
280.12085	2.0
281.09308	3.3
281.12891	2.7
282.10001	1.7
282.13232	0.8
283.10764	6.6
283.13855	1.0
284.11502	1.6
285.12259	4.5
286.13052	1.0
287.13840	6.0
289.09634	7.2
289.12134	0.7
290.10269	1.5
291.11374	3.6
292.11948	0.9
293.09210	5.0
293.12885	4.7
294.09943	3.4
295.10782	4.1
295.14154	0.9
296.11484	3.4
297.12347	6.6
298.13025	0.8
299.10352	1.5
299.13727	1.5
300.11063	3.4
300.14700	1.1
305.09338	0.7
306.09909	1.0
307.10706	5.6
308.11475	1.3
309.12204	6.9
311.10342	5.0
311.14035	3.1
312.10992	3.2
312.14651	0.9
313.11679	3.3
314.12549	3.1
315.13364	9.3
316.14365	1.5
321.12369	1.3
323.10297	3.2
323.13937	2.3
324.11227	1.9
325.11780	11.6
326.12619	3.7
327.13422	6.6
328.10794	1.3
328.14359	1.7
329.15085	1.4
330.12207	0.7
330.16003	1.1
335.10233	10.7
335.14285	0.8
336.10916	1.0
337.12076	2.3
339.13358	30.3
340.10544	1.9
340.14075	1.8
341.11438	2.0
341.15274	0.8
342.12347	2.3
342.16068	0.9
343.12888	2.1
352.10645	1.2
353.11249	7.0
353.15158	0.5
354.11984	3.9
355.12830	12.2
356.13751	3.2
357.14505	7.7
358.15347	1.6
367.12839	26.0
368.13528	2.6
369.14828	1.4
370.15503	1.8
372.17014	0.9
378.18015	0.9
382.11679	1.3
384.13229	1.4
385.14069	0.9
386.14828	1.5
386.18933	1.6
387.15826	1.1
388.16635	1.3
390.18091	2.1
397.14703	0.8
398.15063	7.6
399.15723	12.1
400.16376	2.5
402.18439	1.4
404.15985	1.7
412.16937	1.0
414.18118	2.6
416.15823	5.8
418.17346	1.0
420.19452	0.9
428.16083	2.2
430.17642	1.5
432.19058	0.8
437.19247	0.8
440.15866	2.6
442.17694	1.4
444.19293	1.2
446.16818	3.4
447.17581	0.8
458.17026	10.6
460.18430	3.7
462.20322	1.1
470.17221	1.5
477.28671	1.0
478.19492	3.2
479.20416	0.8
480.21155	1.9
487.17154	2.7
488.18094	8.2
490.19827	4.0
492.21393	2.2
506.19101	4.1
520.20660	9.3
521.21381	0.9
522.22388	0.8
549.48083	0.7
552.23181	2.6
569.23749	1.4
582.24219	1.0
593.23907	1.9
611.24902	34.6
612.25684	3.5
622.23401	0.9
626.25366	1.1
642.26416	4.5
643.27362	7.7
650.23492	8.4
651.24323	1.9
654.25842	0.9
682.25940	100.0
683.26642	18.6
684.27283	1.1
714.28674	12.1
715.29535	5.6
745.30188	0.9
773.30157	14.3
774.30310	1.4
805.32385	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89264	0.5
61.02919	1.2
69.03442	3.3
70.68861	1.3
73.02919	1.2
79.05515	0.9
81.03410	1.6
82.06587	0.9
85.02898	5.1
85.03262	0.5
87.04462	0.7
91.05505	1.0
93.07038	1.1
93.73468	0.6
94.06566	4.0
95.07362	1.9
96.08138	3.6
97.02893	2.1
103.05472	0.8
107.07349	1.0
108.04488	1.3
108.08110	9.3
109.02860	1.1
110.09666	6.6
118.06548	0.8
120.04482	3.3
120.08100	6.1
120.40052	0.6
122.06033	5.5
122.09681	4.1
124.07586	4.1
127.03863	0.7
134.06041	1.7
136.07576	12.0
138.09129	13.4
138.10141	1.0
144.04431	1.5
146.06003	4.0
148.07550	5.7
150.09116	5.3
150.10030	0.5
152.07106	2.3
158.11244	0.6
160.03972	1.2
160.07661	0.7
162.05536	2.5
164.07057	1.5
166.08630	21.2
172.03912	8.7
174.05527	1.2
176.07114	1.6
178.05026	0.6
180.10194	0.7
184.10056	0.8
190.04984	7.4
194.08156	1.6
196.09937	1.2
197.10825	2.0
204.06554	12.0
204.08321	1.0
209.10725	1.1
210.11316	0.9
211.08698	1.7
211.12308	0.9
212.09489	1.6
213.10190	1.3
220.09895	0.6
221.10902	0.7
223.12379	1.6
224.09457	1.8
225.10188	6.7
225.13788	0.8
226.10995	0.9
227.11732	6.3
233.10960	0.6
235.08788	1.7
236.09436	2.4
237.10225	7.9
238.11026	2.7
239.08194	1.0
239.11774	4.1
240.12706	1.0
241.09723	4.3
241.13321	1.0
245.12831	0.9
247.08499	0.8
248.09486	1.8
249.10176	6.1
250.11067	2.4
251.08252	2.3
251.11745	6.6
252.08925	1.7
252.12602	2.0
253.09700	8.5
253.13490	1.2
253.73439	0.7
254.10548	1.5
255.11250	3.6
261.10242	4.3
262.10995	1.4
263.11807	5.8
264.08966	1.7
264.12396	0.8
265.09711	11.1
265.13046	0.9
266.10516	2.3
267.11243	9.1
269.09814	1.0
269.12787	7.0
271.10739	7.1
273.12421	2.3
276.09116	0.9
277.09814	4.2
277.13190	0.7
278.06812	1.0
278.10507	3.9
279.07822	2.6
279.11365	12.3
279.14154	1.0
280.08951	0.6
280.12003	2.5
281.09302	2.4
281.12897	3.4
282.10074	1.2
283.10736	7.5
283.13327	0.8
284.11490	3.1
285.12323	4.0
286.13193	0.8
287.13870	5.4
289.09717	7.9
290.10321	0.8
291.11218	3.9
292.11884	1.0
293.09244	6.0
293.12915	5.0
294.10007	5.0
295.10767	4.7
295.14084	1.0
296.11554	3.3
297.12265	7.1
298.09891	0.7
299.10303	2.6
299.14053	2.6
300.11053	4.4
306.10025	0.6
307.10669	5.1
308.11481	1.1
309.12183	6.1
310.12726	0.6
311.10355	3.8
311.14069	2.3
312.10922	3.2
313.11627	3.4
314.12573	3.5
315.13364	10.2
316.14340	1.5
321.12427	0.9
323.10339	3.9
323.13940	2.1
324.11194	2.3
325.11838	10.4
325.15646	1.1
326.12579	3.4
327.13379	8.5
328.10822	1.4
328.14410	1.1
329.15338	1.0
330.16190	1.3
335.10245	11.0
336.10999	1.1
337.11877	2.5
339.13367	30.5
340.10632	2.7
340.14035	1.6
341.11053	2.9
342.12433	1.9
342.16034	0.9
343.13132	2.5
344.13998	0.9
352.10553	1.2
353.11337	6.4
353.15482	0.9
354.12070	3.6
355.12860	13.1
356.13770	3.1
357.14444	8.6
358.15402	2.5
365.11545	0.7
367.12854	27.2
368.13498	1.6
369.14581	1.1
370.11594	0.7
370.15460	2.9
372.17090	0.9
382.11853	1.2
383.12885	0.9
384.13297	1.4
384.17593	0.8
385.14197	1.0
386.14722	1.2
386.19058	1.0
388.16202	0.9
390.18256	1.3
398.14767	6.6
399.15738	10.9
400.16415	2.0
402.18369	1.4
404.16150	1.9
412.16626	1.0
414.18472	1.3
416.15778	5.8
418.17773	1.0
420.19315	0.8
422.16415	0.7
428.16342	1.9
430.17572	1.5
432.19504	1.3
440.16058	2.7
441.15054	0.7
442.17450	1.2
444.19434	1.3
446.16922	3.2
458.17093	10.9
460.18652	4.0
461.19482	1.3
462.20264	1.1
470.17261	0.9
474.20285	1.9
478.19711	2.0
480.21298	1.5
487.17398	2.9
488.18130	8.5
489.18469	1.3
490.19586	4.1
492.21469	1.8
502.19763	1.1
504.21161	1.3
506.19113	5.0
520.20734	9.6
552.23547	3.1
569.23517	1.0
582.24298	1.6
583.25244	0.7
593.24243	1.7
611.24945	35.7
612.25378	2.7
626.25006	0.8
642.26428	6.3
643.27521	8.8
650.23596	8.0
651.24017	2.1
654.26813	1.2
682.25989	100.0
683.26636	16.6
684.27240	0.9
714.28632	14.2
715.29480	7.4
773.30090	15.2
774.30383	1.1
805.32343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.53
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23876	4.0
67.05504	53.0
69.03452	6.2
69.07058	37.1
71.04983	5.6
71.43274	4.5
79.05486	54.6
81.03417	11.1
81.07053	77.0
83.04979	11.3
83.08602	10.4
84.51249	3.6
87.04465	17.9
91.05470	65.0
93.07036	45.4
95.01300	6.2
95.04977	12.9
95.08591	30.4
97.06533	37.2
105.07024	67.8
107.04942	21.3
107.08598	26.5
109.06503	6.8
109.10141	10.9
110.66442	4.1
111.08095	5.1
113.09657	5.6
117.07021	20.9
119.08580	44.5
121.06546	7.7
121.10159	15.2
129.07024	5.6
131.08551	23.7
133.10135	46.8
135.08031	7.1
135.11676	11.7
145.10150	21.8
147.11697	22.0
149.09633	13.9
149.13226	6.8
157.10184	4.5
159.11676	14.9
161.13196	7.0
163.11142	10.2
171.11699	6.9
179.14313	14.8
184.07353	11.4
219.17535	7.6
227.12883	5.5
257.19064	11.6
269.17435	17.9
275.20050	100.0
275.22900	6.6
349.23663	63.8
350.24045	5.6
529.34900	20.7
541.34497	4.6
543.36816	84.5
623.43005	39.4
641.44299	7.5
687.40082	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	838.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36118	3.8
64.56199	3.7
66.10570	4.0
67.05499	84.0
69.03419	7.4
69.07061	59.3
69.73775	15.4
71.04960	6.8
79.05487	65.9
81.03404	13.6
81.07052	87.5
83.04962	8.9
83.08611	12.8
86.93732	4.3
87.04468	11.3
91.05476	90.5
91.06046	4.7
93.07040	81.6
95.01310	6.2
95.04954	25.1
95.08601	44.4
97.02880	6.9
97.06531	22.8
97.10159	17.4
105.07020	100.0
107.04916	29.1
107.08595	41.2
109.06524	11.9
109.10152	15.3
111.08063	7.9
117.07001	26.4
119.08553	53.8
121.06451	6.0
121.10133	20.6
123.08003	7.6
124.91687	4.5
125.09631	14.5
129.07002	9.7
131.08549	40.6
131.29326	4.1
133.06421	5.1
133.10135	57.2
135.11658	21.9
137.09630	5.4
143.08551	12.8
145.10143	37.1
147.08073	6.8
147.11668	27.8
149.09618	16.0
149.13271	10.1
157.10139	10.9
159.11638	25.1
161.13219	10.2
163.11212	6.4
169.10118	8.2
171.11674	11.3
173.13243	10.6
175.14893	5.7
175.77249	4.1
177.12767	8.1
179.14250	8.1
183.11703	5.6
184.07404	8.0
185.13237	8.2
189.11078	4.7
215.17900	5.0
219.17482	9.7
223.13290	8.3
227.12863	9.0
229.19580	5.0
239.18033	5.4
241.19513	10.0
255.15762	5.5
257.18991	11.0
259.20560	24.5
269.17465	15.8
273.18417	7.6
275.20071	78.1
291.19556	57.8
293.21158	8.3
315.23309	4.8
333.24121	34.0
349.23706	53.7
365.23233	21.7
367.24768	6.9
385.85129	5.3
503.33276	6.8
525.35553	13.3
529.35736	21.9
543.36780	92.0
605.41730	7.5
614.36987	5.0
623.43036	62.9
641.43835	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	838.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	90.8
68.87312	4.1
69.03404	10.4
69.07057	20.0
71.04992	8.1
79.05484	53.4
80.79424	4.2
81.03420	8.5
81.07047	81.5
83.04963	9.5
83.08608	13.2
85.06534	7.8
87.04453	7.6
91.05471	100.0
93.07039	68.6
95.04967	17.3
95.08589	42.0
97.06511	7.2
97.10196	4.6
105.07022	83.1
107.04958	11.8
107.08584	53.2
109.06516	10.9
109.10158	53.4
111.08146	6.4
114.64597	4.2
115.05476	6.8
117.06969	26.9
119.08574	47.5
121.06451	5.2
121.10120	25.7
123.11688	6.8
129.06978	10.7
131.08543	26.2
133.10121	77.9
135.08055	8.3
135.11710	15.7
143.08539	13.1
145.10109	18.5
147.08032	9.6
147.11649	31.0
149.09622	9.2
149.13242	7.9
151.11163	25.3
155.08690	4.2
157.10126	10.4
159.08052	4.5
159.11682	17.6
161.13223	12.3
169.10040	4.7
171.11685	15.8
175.14833	9.7
179.10684	4.3
183.11606	4.8
184.07365	8.3
185.13258	12.9
187.14749	4.5
217.15933	5.6
241.19519	12.6
253.14316	61.2
255.74432	4.9
257.19049	9.4
259.20554	34.4
273.18527	12.6
289.17984	6.3
291.19553	11.9
315.23056	5.3
333.24164	28.5
365.23114	25.7
381.23026	6.4
426.71039	5.2
437.30600	5.3
511.33942	10.1
529.34918	10.9
623.43079	31.5
641.44025	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	838.53
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80566	4.3
64.88578	4.1
65.03932	6.2
67.05497	82.1
69.03404	13.6
69.07059	40.0
71.04968	3.7
79.05484	94.2
81.03396	9.6
81.07051	66.8
83.04973	12.3
83.08612	14.8
85.06499	5.5
87.04483	9.6
89.73894	4.1
91.05470	83.8
93.07041	66.0
95.04963	24.5
95.08596	40.7
97.02861	9.4
97.06502	9.6
97.10155	19.1
105.04508	5.0
105.07018	72.0
105.57056	3.8
107.04914	12.7
107.08599	40.4
109.06490	14.8
109.10160	23.1
115.05473	5.2
117.07008	26.6
119.08583	49.8
121.06518	5.0
121.10107	24.5
123.08082	5.4
125.09641	19.4
129.07005	20.1
131.08548	35.0
133.06444	7.7
133.10109	40.3
135.07994	8.4
135.11667	15.8
137.09567	5.6
141.07008	4.9
143.08551	13.1
145.10094	22.5
147.11656	28.5
149.09608	8.2
149.13252	7.9
153.09052	5.4
155.08594	7.0
157.10098	15.5
159.11670	15.8
161.13245	15.9
169.10094	9.2
171.11650	12.9
173.13223	11.2
175.14830	10.6
183.11662	6.6
184.07314	7.5
185.13203	9.6
189.11153	10.2
195.11581	4.8
199.14722	5.2
199.23982	4.0
205.12206	5.3
211.14919	4.5
221.13054	5.4
223.13258	18.9
227.12804	10.8
231.21207	6.8
239.17856	5.2
241.19476	18.8
257.18860	6.4
259.20584	35.0
273.18457	10.9
275.20099	11.1
291.16217	7.9
291.19513	100.0
314.39658	4.2
315.23099	10.3
333.24185	56.9
335.25824	12.9
349.23959	6.9
349.50412	4.7
356.09940	4.1
365.23267	41.8
381.22293	6.4
390.24091	4.1
472.12531	4.7
509.82379	4.7
520.40118	4.3
525.35358	12.4
528.68182	4.2
543.36462	21.9
547.48846	4.8
605.41803	7.5
623.43121	56.6
623.53040	7.4
629.76068	4.5
630.63739	4.6
641.44073	27.7
668.87018	4.8
780.44855	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	839.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65158	3.8
71.42582	4.1
84.82149	4.7
94.54430	4.0
227.05232	9.7
244.70956	4.5
271.04276	6.8
276.61035	4.2
291.68381	4.3
339.76498	3.9
371.09375	6.2
389.10513	20.8
413.10632	4.5
431.11667	19.4
475.10229	19.9
486.19647	4.9
519.09613	36.6
751.34625	5.7
795.34320	22.4
839.32886	100.0
840.33643	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	839.33
Annotation	A 21459A
Peak:m/z	Relative Intensity
74.05367	0.9
75.33767	0.9
79.01616	0.9
88.66753	0.8
105.07030	0.9
109.02689	0.8
127.00105	1.0
138.02893	0.9
149.02153	2.0
167.03174	2.1
209.04202	1.4
226.04485	1.1
227.05226	8.9
258.74158	0.9
271.04324	4.7
287.07431	1.9
311.07397	1.4
331.55624	0.9
347.09439	1.6
371.09314	6.2
389.10532	17.9
405.23630	0.9
413.10782	3.3
431.11581	23.1
433.09335	2.5
449.12311	4.2
475.10532	21.1
493.11664	2.3
513.91895	1.0
519.09552	36.9
528.47400	0.9
537.10596	9.2
751.35120	10.3
753.32635	2.5
795.34039	29.1
796.34399	1.7
821.29572	1.0
839.33014	100.0
840.33325	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	839.3301
Annotation	A 21459A
Peak:m/z	Relative Intensity
62.39550	3.0
71.42601	3.2
89.51525	2.8
177.95398	3.1
223.72334	3.1
227.05223	9.0
271.04434	5.5
335.85629	3.3
350.49457	3.5
371.09055	4.7
389.10464	20.3
398.07816	3.7
409.28036	3.0
431.11783	25.8
475.10458	26.3
519.09601	41.6
543.56140	3.7
584.32416	3.7
683.43335	4.2
709.33331	5.1
727.63654	3.6
751.34979	9.9
777.32788	7.0
795.33966	29.9
821.30945	11.6
839.18005	5.0
839.33008	100.0
840.33350	5.9
842.54175	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	840.437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.8
67.05502	6.1
68.99793	1.6
69.03429	15.5
69.07059	6.6
71.05006	2.9
73.02908	4.1
79.05475	7.8
81.03412	15.8
81.07057	26.2
83.04980	5.8
83.08601	4.5
84.13374	1.6
85.02900	33.9
87.00819	15.3
90.29671	1.7
91.05464	11.5
93.07043	21.2
95.04967	4.1
95.08601	43.4
97.02886	17.6
97.10192	2.4
98.23470	4.7
99.04458	9.0
100.07956	1.5
105.01871	12.9
105.07019	29.6
107.08588	37.2
108.04481	1.6
109.02870	17.5
109.06521	1.9
109.10150	24.2
111.08071	3.1
117.01808	1.6
117.07008	3.2
119.08566	36.1
121.10140	33.5
123.08055	2.6
123.11703	7.1
125.09631	4.7
127.03906	26.4
129.01802	2.5
129.06966	2.7
131.08566	20.3
133.10126	33.0
135.11696	13.6
143.08543	5.8
145.04936	10.5
145.10115	36.9
147.02953	1.9
147.11687	19.7
149.09590	2.0
149.13260	14.2
151.11188	3.0
153.08998	2.0
157.10127	7.1
158.10907	1.9
159.02866	7.1
159.11673	28.6
161.09700	1.9
161.13242	13.1
163.14810	20.1
169.10121	4.3
171.11685	7.2
173.13264	25.2
175.11215	2.7
175.14815	24.4
177.12871	2.6
177.16383	33.1
185.13255	6.6
187.14798	47.8
189.16383	34.6
189.18024	3.1
191.14307	6.3
191.17978	8.9
192.31284	1.9
193.15854	2.9
197.13181	2.1
199.14786	8.2
201.16370	36.2
203.14294	10.3
203.17943	36.4
204.18242	1.8
205.15866	26.4
205.19504	2.9
213.03891	3.8
213.16394	18.4
215.17929	13.2
217.15927	9.8
217.19498	6.7
219.17393	13.7
221.15318	3.5
227.17955	5.0
229.15862	3.1
229.19537	3.3
231.05054	8.0
231.17453	4.0
231.21155	2.7
235.16890	7.4
239.18056	2.5
239.21074	1.6
241.19476	5.8
243.21101	3.0
245.19051	1.8
247.16960	4.6
249.18521	8.0
251.17943	2.9
253.19560	2.4
255.21123	1.8
261.18585	3.5
267.21140	4.4
283.23877	2.0
307.15381	2.4
343.25681	2.2
379.33490	11.6
389.31946	12.6
407.33044	56.1
407.38522	2.8
408.33459	3.3
409.30768	1.7
409.34790	19.1
425.34064	11.0
435.32556	27.2
453.33618	100.0
454.34015	6.5
471.35175	2.3
511.34109	17.5
529.35010	3.6
539.33118	5.1
701.38623	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.9
63.03420	2.1
65.03930	3.5
67.05496	76.9
69.03422	17.0
69.07063	38.5
70.55988	3.2
71.04985	16.8
73.02914	5.8
79.05482	74.1
81.03419	15.8
81.07048	72.8
83.04967	9.3
83.08620	8.0
85.02888	8.6
85.06544	3.4
88.97718	2.7
91.05470	46.8
93.07036	60.2
95.04967	19.5
95.08591	49.3
97.02880	8.3
97.06517	68.2
97.07118	5.2
97.10166	5.5
99.04492	3.3
99.08068	4.9
105.04530	3.4
105.07021	36.0
107.04934	7.2
107.08587	31.0
109.02884	3.2
109.06500	15.0
109.10137	22.6
111.08109	2.8
115.05415	2.6
115.07558	31.1
117.07008	17.2
119.08566	25.7
121.06535	7.9
121.10108	23.8
123.08063	5.5
123.11696	7.5
125.09599	3.4
127.03899	8.4
128.06155	2.3
129.05457	3.5
129.06972	6.7
131.08545	24.1
133.06483	3.7
133.10110	19.8
135.08096	11.7
135.11668	16.0
137.09634	2.6
143.08534	6.8
145.10095	15.9
147.08054	6.0
147.11688	8.9
149.09631	6.7
149.13239	11.3
155.08606	2.8
157.10136	5.4
159.08078	3.8
159.11665	16.1
161.09624	4.2
161.13268	7.2
163.11253	3.4
171.11676	5.7
173.04536	3.6
173.09633	4.1
173.13255	6.4
175.11218	5.7
175.14809	3.7
177.12708	4.3
184.07271	2.9
187.11317	2.5
189.12657	3.0
199.14879	4.1
201.07616	4.1
205.12451	2.5
214.58992	2.8
217.15799	8.4
219.13821	2.5
233.15483	4.7
237.16457	4.2
241.10522	2.9
243.20901	2.7
253.14352	4.1
255.17603	5.8
259.20596	2.9
261.22073	12.6
266.99243	2.3
269.17419	9.2
273.18445	38.0
275.19983	2.6
290.72345	2.3
291.19620	14.1
315.19281	3.2
333.24240	3.2
335.25763	100.0
336.25983	5.9
347.22235	11.0
365.23163	10.2
427.78064	2.5
435.12943	2.4
515.36707	4.0
529.38678	24.2
531.37012	3.6
545.38110	2.9
583.40778	2.8
588.53137	2.7
607.43036	7.4
625.44867	15.9
643.45270	5.3
841.46667	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	840.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.0
62.58354	1.9
63.41795	1.7
65.03947	5.7
67.05498	90.2
68.86772	1.8
69.03419	17.7
69.07063	59.2
69.21806	10.5
71.04981	24.3
73.02903	7.9
73.28453	1.7
77.03863	2.2
79.05490	91.8
81.03416	23.2
81.06566	3.9
81.07050	85.9
83.04980	11.7
83.08595	14.3
85.02902	12.2
85.06525	5.2
91.05475	62.7
93.07037	86.6
95.04964	23.7
95.08595	59.0
97.02889	12.6
97.06521	100.0
97.10152	8.3
99.04449	7.1
99.08075	7.7
105.04508	5.6
105.07018	41.8
107.04951	13.6
107.07924	3.3
107.08591	40.4
109.02883	5.4
109.06511	19.2
109.10155	19.3
111.08054	9.9
113.05982	3.1
115.05455	2.7
115.07565	28.8
117.07007	21.8
119.08561	27.6
121.06490	9.0
121.10128	30.9
123.08052	7.1
123.11682	8.4
125.09627	3.9
127.03868	6.0
127.07566	3.2
129.05502	2.0
129.06975	10.5
131.07669	2.4
131.08571	30.5
133.06509	2.8
133.10118	23.1
135.08047	15.3
135.11699	17.7
137.09595	4.6
137.13324	2.0
143.08583	9.1
145.10112	20.9
147.08034	7.2
147.11707	13.7
149.09624	6.0
149.13237	13.8
151.11201	5.0
155.08572	2.5
157.10170	10.3
159.08070	3.2
159.11673	15.3
161.09622	7.4
161.13266	4.6
163.11107	5.0
163.14821	4.0
167.08582	2.2
169.10037	2.9
171.11673	8.5
172.94186	2.2
173.04446	8.5
173.13191	9.0
175.11212	4.4
175.14742	3.1
177.12758	5.1
181.10086	3.0
183.11749	3.1
184.07286	3.1
185.13237	4.4
187.11147	2.6
187.14812	4.5
195.11699	2.9
195.13802	6.6
199.14749	3.8
201.12740	2.7
211.14822	2.1
217.15874	8.5
222.78053	2.0
233.15321	3.6
237.16266	2.9
243.21114	3.7
245.19014	5.9
253.14326	6.4
255.17503	3.4
259.20480	3.0
261.22141	10.7
267.15833	3.5
269.17413	19.0
271.16724	2.1
273.18448	32.0
275.20090	2.7
282.41647	2.3
291.19492	15.8
297.16833	3.6
307.19232	3.1
329.21210	3.4
335.25775	76.3
336.26089	3.5
347.21988	9.4
365.23160	9.9
383.24213	2.5
515.37476	3.7
516.38141	2.0
529.38910	27.6
545.38062	2.6
607.43298	7.1
625.44360	15.5
643.44904	6.1
841.45758	5.0
843.66119	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49454	3.8
65.03915	6.2
67.05499	80.1
67.30675	4.0
69.03429	6.6
69.07060	29.8
69.36857	18.9
71.05001	5.5
79.05476	79.9
81.03439	10.4
81.07045	100.0
83.04983	11.5
83.08604	16.0
85.06556	7.4
87.04458	6.2
91.05476	75.4
93.07033	80.6
93.07600	5.3
95.04950	19.9
95.08598	48.1
97.06528	14.8
97.10150	5.9
105.07022	76.4
107.04928	6.2
107.08582	58.3
109.06515	6.6
109.10139	24.4
117.06993	28.9
119.08573	51.5
121.06506	5.5
121.10123	30.1
123.08038	4.4
123.11707	7.7
128.06198	5.6
129.06978	21.2
131.08549	38.0
133.10135	49.5
135.08087	5.5
135.11678	18.2
143.08577	14.4
145.10095	32.0
147.11662	32.1
149.09674	10.8
149.13275	13.2
151.11240	5.2
155.08524	5.0
157.10144	18.4
159.11697	25.9
161.13298	11.7
163.09830	4.5
163.11145	10.2
169.10150	11.2
171.11739	15.9
173.13243	11.8
175.14885	6.9
177.12813	4.7
183.11703	10.1
184.07321	4.8
185.13216	9.4
187.14835	7.6
195.11716	5.5
197.13208	9.5
231.21080	5.1
241.19501	17.5
255.15880	9.8
259.20557	31.9
269.17419	22.9
273.18631	7.6
275.20084	17.1
283.20212	4.8
291.19391	5.0
315.23257	4.7
331.22461	5.9
333.24283	28.8
335.25757	13.6
349.23700	6.8
365.23306	7.3
404.05524	4.1
435.32608	9.1
453.33151	7.0
513.35669	14.6
515.38147	4.4
527.37115	46.8
535.28210	4.6
607.43256	19.2
625.44330	29.4
673.08929	4.8
712.11096	4.3
841.47363	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	840.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	4.7
67.05499	87.2
69.03431	6.9
69.07066	34.7
70.57871	5.6
71.01331	2.6
71.04981	7.5
76.56134	2.9
77.03932	3.0
79.05486	83.5
81.03410	9.8
81.07045	100.0
83.04962	12.8
83.08621	21.4
85.02890	7.9
85.06552	5.9
91.05473	80.5
93.07035	92.9
95.04960	19.6
95.08600	55.9
97.02888	4.4
97.06525	10.7
97.10152	7.3
99.08094	3.7
103.05489	3.4
105.04520	4.3
105.07018	75.6
107.04953	8.8
107.08580	46.7
109.06512	7.7
109.10156	23.7
111.08061	5.3
115.05428	4.4
117.07028	34.8
119.08569	65.4
121.06500	4.5
121.10133	37.4
123.08085	6.8
123.11678	8.4
125.09592	4.5
128.06224	6.1
129.06987	21.4
131.08548	42.7
132.96497	3.1
133.06483	3.5
133.10126	43.5
135.08060	4.9
135.11697	23.6
137.09598	6.5
141.06964	5.8
142.07785	4.4
143.08577	21.7
145.10088	36.0
147.11685	35.7
149.09616	9.0
149.13274	12.6
151.11163	4.4
155.08549	10.6
157.10103	20.8
159.11685	34.7
161.09570	4.2
161.13219	18.8
163.11203	4.0
163.14803	3.4
164.65067	2.8
167.08603	4.9
169.10103	10.9
171.11639	25.2
173.13249	12.5
175.11107	3.8
175.14844	7.0
177.12857	4.2
181.10107	8.2
183.11661	10.6
184.07329	9.3
185.09489	3.4
185.13257	13.3
187.14844	5.5
195.11646	5.1
197.13229	10.2
199.14841	6.6
208.15717	3.0
209.13229	8.0
213.16414	5.2
221.13315	3.7
225.16481	3.0
227.12761	3.9
231.20932	4.0
235.16989	3.6
237.16353	3.9
239.18027	4.6
241.19543	12.0
255.15871	15.4
257.18982	7.0
259.20575	39.7
261.29572	2.8
269.17401	15.3
270.18033	3.7
273.18503	4.1
275.19962	16.6
315.23111	4.9
333.24197	36.2
335.25955	5.4
349.23819	11.4
365.23605	3.4
367.25244	3.0
421.30853	2.8
435.32440	6.6
453.33691	6.2
471.34515	3.6
489.35199	3.2
509.36295	4.3
513.35571	18.9
514.35333	3.2
515.37799	4.9
527.37427	34.9
545.38373	5.5
580.76373	3.3
607.43457	21.4
625.44379	25.3
643.44452	4.7
725.70374	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	840.582
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08704	1.1
69.77084	3.2
69.77431	1.7
70.06578	5.0
84.55093	1.1
88.07631	5.9
102.09173	2.8
106.08643	4.2
176.85320	1.2
184.07324	1.5
212.23677	1.5
253.46503	1.1
256.26270	3.4
274.27374	100.0
275.27716	3.4
317.24463	1.3
605.31580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4699
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02937	2.7
65.03934	0.9
66.77748	0.9
67.05496	9.3
67.28539	0.8
69.03432	2.5
69.07059	6.1
73.02909	2.7
79.05472	7.7
81.03426	2.7
81.07058	8.6
83.04991	1.9
83.08620	2.4
85.02924	3.5
91.03957	1.6
91.05472	6.1
93.07039	7.1
95.04964	2.4
95.08585	5.0
97.02901	4.4
97.10136	1.5
101.02380	1.5
105.07034	5.4
107.04986	1.3
107.08608	3.5
109.10190	1.9
117.07034	2.0
119.08620	2.7
121.06503	1.2
121.10161	2.0
123.08070	1.1
125.09675	1.6
127.03902	1.1
129.07031	0.9
129.86351	1.0
131.08607	2.4
133.10120	2.5
135.11685	1.6
143.08565	1.0
145.10165	1.7
147.11702	2.2
149.09589	1.4
149.13315	1.1
149.34245	1.1
151.39021	1.1
179.14349	1.7
184.07391	2.0
223.13269	1.4
243.08482	3.8
275.20166	1.2
291.19617	1.4
315.19534	1.7
335.26086	2.4
347.51395	1.2
351.04938	1.0
371.22122	1.3
455.53937	0.9
529.38959	1.8
533.27026	7.9
549.26611	7.9
626.45636	2.1
627.46307	1.3
841.46948	100.0
842.47473	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	842.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	2.2
61.02930	2.2
65.03940	3.1
67.05499	100.0
69.03418	4.2
69.07063	27.3
71.04996	3.4
78.38992	1.9
79.05489	55.8
81.03379	3.7
81.07047	78.5
83.04948	5.0
83.08614	11.7
85.02897	4.0
85.06519	2.9
85.63387	2.5
86.09698	17.2
87.98423	2.0
91.03932	2.2
91.05469	39.8
93.07037	62.3
95.04942	10.0
95.08596	54.3
97.02899	5.7
97.06513	5.9
97.10152	11.1
98.23490	4.1
99.08099	2.4
105.04519	2.2
105.07021	36.5
107.04934	2.7
107.08582	38.3
109.06496	6.4
109.10143	48.4
111.08094	4.2
117.07030	10.4
119.08567	20.0
121.06542	3.3
121.10131	26.6
123.08093	3.0
123.11740	7.5
124.99998	13.1
125.09612	5.0
129.06992	4.0
131.08549	17.2
133.10133	23.0
135.11685	15.9
143.08539	5.4
145.10097	15.2
147.11661	13.4
149.09604	5.7
149.13242	9.3
151.11183	2.8
157.10144	2.3
159.11636	9.8
161.13251	5.5
163.11168	2.9
163.14771	2.3
169.10188	3.3
171.11707	2.5
173.11729	8.5
173.13240	5.0
175.14810	3.7
184.07320	48.5
184.08878	3.3
185.13203	3.6
187.14796	2.5
189.11215	4.0
197.26968	1.9
205.15852	2.4
227.12743	7.8
229.14304	35.0
230.14771	2.0
243.20982	2.6
257.18961	4.2
261.22125	9.9
269.17337	13.1
275.20053	24.0
293.21045	4.4
335.25754	96.6
336.26144	5.0
349.23636	13.3
367.24707	16.1
489.35532	23.8
529.38818	35.8
530.39331	2.2
549.26392	3.5
569.41602	8.0
609.36249	3.0
609.45209	29.0
627.46021	15.8
842.47076	7.7
843.34076	3.4
843.48444	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02172	0.1
68.99815	0.2
69.07784	0.5
77.73649	0.1
81.03428	0.2
85.54361	0.1
98.23514	0.1
112.61303	0.1
115.05365	0.1
117.06999	0.1
117.92879	0.1
121.02866	0.3
129.07016	0.1
137.02345	1.5
137.03345	0.1
141.06952	0.1
143.04907	0.1
145.06560	0.1
147.04411	0.4
149.02275	0.4
150.03107	0.1
157.06429	0.2
161.05925	0.4
163.03946	0.1
164.07011	0.1
165.01857	0.3
171.04405	0.2
175.03918	0.2
175.07533	0.2
185.05957	0.6
189.05450	0.5
199.03896	0.1
213.05443	1.6
216.04254	0.2
227.03081	0.1
231.06493	0.7
241.04964	0.9
242.05705	0.1
259.05981	0.3
269.04395	0.4
287.05463	100.0
288.05786	3.1
449.10913	0.1
491.11545	0.4
535.10791	9.4
536.10938	0.5
595.14368	5.7
596.14539	0.3
843.19733	1.0
864.40948	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	843.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02698	1.5
67.05524	1.6
69.76866	6.0
98.23423	2.4
145.02859	2.7
163.03931	4.5
177.05481	3.8
188.86221	1.5
195.25516	1.6
256.51794	1.8
287.05591	5.6
337.09024	2.2
343.09845	2.8
355.09778	3.7
413.10406	2.5
452.12744	2.5
539.27362	1.8
542.19165	1.6
557.15063	2.5
767.27197	3.7
811.25610	57.1
812.25775	5.4
829.25580	2.3
843.28162	100.0
844.28735	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	843.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	6.1
63.34149	0.7
65.03979	0.9
67.05501	7.5
69.03440	3.3
69.07075	2.2
70.67697	0.8
71.04998	1.0
73.02908	5.0
79.05498	5.4
81.03413	2.0
81.07052	5.8
83.04973	0.9
83.08617	1.6
85.02894	5.4
91.03963	4.0
91.05473	5.5
93.07036	8.4
95.04967	3.3
95.08588	3.9
96.34544	0.8
97.02868	4.4
101.02386	2.6
105.07017	4.9
107.08603	2.9
109.02892	0.9
109.06461	1.0
109.10143	2.2
115.72388	0.8
117.06973	1.5
117.15974	0.8
119.08607	2.5
121.10130	1.8
127.03947	1.6
129.07019	0.9
131.08583	1.1
133.10170	2.7
145.10173	1.5
147.11711	2.5
151.11238	0.9
157.10100	1.0
159.11734	1.5
184.07309	1.4
185.04218	1.7
193.12161	1.0
243.08400	4.7
301.09079	1.4
313.09003	0.9
313.17786	1.3
315.10538	1.2
331.18890	3.2
451.19385	1.4
465.20663	1.2
531.25940	2.6
535.28754	10.0
549.26563	4.8
607.31195	1.1
745.41541	1.4
825.47687	7.7
830.05273	0.9
843.48486	100.0
844.48303	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	843.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34329	0.5
61.02918	4.2
63.31221	0.5
65.03944	0.7
67.05498	10.2
68.05839	0.7
69.03421	2.4
69.07063	4.4
70.46449	1.0
71.04982	0.7
73.02919	3.3
78.74788	0.6
79.05481	7.6
80.05834	0.6
81.03416	1.9
81.07052	9.7
82.07403	1.2
83.04992	1.2
83.08624	1.5
85.02888	4.3
85.03247	0.4
86.09710	0.9
91.03954	2.2
91.05471	6.6
93.07039	8.3
95.04971	1.6
95.08595	4.4
96.08951	0.6
97.02894	4.3
97.06535	1.0
97.10182	1.5
101.02395	1.6
105.07019	3.9
107.08566	3.5
109.02863	0.7
109.10146	3.2
117.07029	1.9
119.08573	3.6
121.10142	2.8
125.00013	0.8
125.09621	1.2
127.03914	1.6
129.07024	0.6
131.08539	3.0
133.10184	2.2
135.08084	0.6
135.11729	1.4
142.58829	0.5
145.10178	1.1
146.10548	0.5
147.11714	0.9
149.09619	0.7
149.13235	0.9
159.11723	0.9
165.62103	0.5
184.07397	3.6
185.04228	0.8
223.13309	0.6
229.14349	1.2
243.08369	4.9
269.17551	0.8
275.20206	0.7
291.19568	0.6
301.09052	1.8
315.10425	0.8
331.18829	2.3
335.25705	3.5
336.26025	3.1
349.23715	0.8
357.15298	0.6
367.24643	0.7
373.11343	0.7
490.35950	1.0
529.38776	1.5
530.39288	1.8
535.28674	8.0
549.26703	3.3
551.28162	0.6
610.45728	1.5
621.29089	1.1
628.46375	1.2
633.05115	0.5
775.76672	0.6
843.48480	100.0
844.48785	9.8
844.65094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.7
71.72182	1.0
79.05500	1.0
91.05486	1.2
93.07038	1.8
95.30630	0.9
184.07368	1.4
198.37550	1.0
551.26617	1.7
759.43280	2.7
830.33606	1.3
845.48315	100.0
846.48401	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	845.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95734	0.8
61.02926	5.8
61.81365	0.9
67.05495	7.1
69.03429	4.3
69.07055	1.5
69.29233	4.8
69.89296	0.8
72.22491	0.9
72.55676	0.9
73.02915	4.6
79.05491	5.1
81.03429	1.8
81.07045	5.4
85.02892	5.8
86.09704	1.3
88.92314	0.8
91.03964	2.6
91.05482	3.3
93.07036	5.0
95.04961	1.6
95.08618	3.5
95.24969	0.8
97.02893	5.1
99.04402	1.1
101.02386	1.3
105.07021	2.5
107.08603	2.1
109.10130	1.5
119.08523	1.2
123.31609	0.8
127.03922	1.0
131.08606	1.3
133.10172	1.8
135.11700	1.1
161.23125	0.8
184.07402	2.6
234.39151	1.0
243.08383	1.3
341.03442	0.8
349.19797	7.9
394.33698	1.0
519.29156	5.8
519.36273	1.0
567.27979	2.1
845.49982	100.0
846.50446	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	845.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83470	0.4
61.02922	5.4
67.05501	5.8
69.03440	3.4
69.07063	2.0
71.01353	0.6
71.04981	1.2
73.02904	4.6
75.05301	0.5
79.05482	4.3
81.03411	2.2
81.07055	6.1
83.04935	0.6
85.02901	5.2
86.09713	1.9
91.03935	3.2
91.05479	3.3
93.07038	4.0
95.04991	1.3
95.08604	3.2
97.02879	4.7
97.06509	2.3
99.04449	0.8
101.02401	1.9
103.05444	0.5
105.07034	1.6
107.08610	1.9
108.73173	0.5
109.02858	0.9
109.06538	0.8
109.10172	1.2
117.07006	0.7
119.08591	1.6
121.10152	1.5
123.08092	0.6
125.00004	1.3
127.03888	1.2
131.08603	0.9
133.10130	1.0
135.11705	0.8
144.78352	0.4
145.10066	0.6
149.13301	0.6
184.07323	5.0
185.04317	0.7
243.08479	2.2
335.25912	1.1
349.19818	5.4
351.78000	0.6
423.68213	0.5
439.19693	1.1
453.21692	0.7
519.29266	5.1
567.27808	5.2
775.04199	0.5
845.50049	100.0
846.50269	7.9
866.53809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	5.0
67.05495	4.1
69.03402	2.3
69.06725	0.4
69.07053	2.5
70.70708	0.6
71.04991	0.6
73.02911	3.5
79.05494	5.2
81.03431	1.8
81.07052	5.2
83.04988	0.7
83.08600	0.6
83.49930	0.4
85.02893	5.0
90.82416	0.4
91.03966	2.6
91.05476	3.9
93.07040	5.4
95.04984	1.7
95.08595	2.4
97.02885	4.0
97.06529	0.5
97.10193	0.5
99.04466	0.8
101.02393	2.0
105.04559	0.6
105.07015	4.1
107.08587	3.8
109.02898	1.0
109.10148	1.1
117.07027	0.7
119.08598	1.9
121.10146	1.2
123.11697	0.5
127.03899	1.0
129.07037	0.5
131.08614	1.3
133.10138	1.9
135.11743	1.4
145.10159	0.9
147.11697	1.0
159.11754	0.9
171.11713	0.8
184.07285	0.5
185.04231	1.0
203.05353	1.0
205.39723	0.5
243.08391	3.7
301.09030	1.5
313.09097	0.9
315.10571	1.0
333.20346	3.1
373.23477	0.5
389.23184	0.6
432.63470	0.5
439.19562	0.6
453.21225	0.9
465.20978	0.8
535.28772	7.6
551.28247	6.3
623.30322	1.1
707.39337	0.5
747.43109	0.6
845.50031	100.0
846.50153	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	845.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.4
65.03935	0.4
67.05500	5.4
69.03423	3.0
69.07054	1.9
70.67636	0.7
71.01377	0.4
71.04994	0.8
73.02912	3.0
79.05483	4.6
79.63593	0.3
81.03423	1.7
81.07050	5.1
83.04973	0.6
83.08622	0.6
85.02893	4.1
87.04467	0.6
87.44775	0.4
91.03949	3.0
91.05468	4.5
93.07033	6.2
95.04973	1.1
95.08595	3.2
97.02884	3.9
97.06542	0.7
99.04498	0.9
101.02403	1.6
105.04531	0.6
105.07014	3.6
107.08607	2.6
109.02911	0.6
109.06490	0.6
109.10176	1.0
117.06995	0.9
119.08585	2.4
121.10134	1.8
127.03926	1.4
129.07028	0.5
131.08592	1.3
133.10133	1.8
135.11710	1.7
145.10155	1.0
147.11717	1.2
149.13306	0.9
159.11717	0.9
161.13306	0.5
171.11714	0.7
184.07393	1.2
185.04231	1.1
243.08403	4.0
259.20932	0.5
291.34113	0.4
301.09082	1.6
308.69797	0.5
315.10675	0.7
317.20920	0.5
327.10681	0.5
333.20316	2.7
333.23810	0.4
357.85233	0.4
373.11050	0.7
373.23663	0.6
385.18326	0.5
395.93756	0.4
439.03906	0.4
439.19574	1.3
453.21042	1.7
465.21149	0.8
469.20926	0.5
489.88541	0.4
535.28723	6.6
535.36798	0.5
536.29474	0.6
541.22455	0.7
551.28387	6.8
552.29187	0.4
623.30536	1.5
635.49219	0.4
665.33795	0.4
693.38989	0.4
747.42627	0.5
845.50079	100.0
846.50366	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	847.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.3
63.28257	0.3
64.94341	0.4
67.05499	6.1
69.03418	3.2
69.07053	2.2
71.01321	0.4
71.05022	0.5
71.08502	0.4
73.02912	4.4
75.08836	0.3
79.05489	4.8
81.03410	1.9
81.07042	5.8
83.04995	0.7
83.08641	0.8
85.02898	4.4
86.09734	0.5
91.03955	3.4
91.05465	3.5
93.07024	3.5
95.04968	0.8
95.08591	4.5
96.03757	0.4
97.02881	4.7
98.23547	0.6
99.04484	0.9
101.02372	2.1
101.06550	0.4
103.03962	0.5
105.07027	2.5
107.08559	2.4
109.02901	0.7
109.06515	0.5
109.10131	2.4
117.07009	0.7
119.08595	1.3
121.09321	0.4
121.10162	1.7
123.11752	0.4
125.09651	0.5
127.03891	2.1
131.08595	1.4
133.10199	0.7
135.11729	1.3
145.10216	0.7
147.11752	0.8
149.13254	0.5
159.11726	0.6
163.03781	0.4
168.39810	0.4
173.11815	0.4
184.07436	0.6
185.04291	0.6
199.23161	0.4
203.05374	0.6
205.34685	0.4
230.91060	0.4
243.08411	2.8
301.30212	0.4
312.36374	0.4
315.11078	0.5
335.26163	0.4
351.21411	3.0
398.02203	0.4
407.24307	0.7
483.12967	0.5
519.29187	6.2
569.29242	5.5
580.57263	0.5
612.42615	0.4
627.75568	0.5
847.51605	100.0
848.51910	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	848.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70194	1.4
65.24007	1.5
68.36360	1.4
68.99775	2.1
69.03440	15.7
69.07063	4.6
69.81503	3.0
71.05012	1.5
73.02914	1.9
81.03411	16.3
83.04989	3.3
85.02899	34.9
87.00825	16.8
91.05486	1.6
95.04932	2.1
95.58875	1.4
97.02890	15.6
97.10159	15.1
99.04448	6.6
103.03963	1.7
105.01858	11.4
105.76732	1.4
109.02863	21.8
109.10133	2.3
111.04423	3.2
115.05547	1.6
123.04408	4.2
123.11685	2.2
125.02345	2.5
125.11178	1.3
127.03900	31.2
128.06201	2.6
129.07016	4.4
135.04411	1.9
136.49939	1.5
137.06055	2.0
142.07809	2.2
143.08560	11.5
145.04979	4.9
145.06487	2.3
148.05159	1.9
151.03899	2.2
153.01996	1.6
157.10118	5.8
159.02853	3.8
161.06004	8.4
163.07538	21.6
165.05446	1.7
167.14331	1.8
169.04971	5.0
169.10107	1.6
169.78812	1.6
171.07997	7.1
173.06004	1.4
174.06729	1.6
175.07523	19.1
177.09090	4.2
181.08575	3.6
183.08067	3.2
185.09590	6.9
187.06036	3.4
187.07545	1.8
189.03944	5.6
189.09093	91.4
190.09476	1.7
193.04973	2.4
197.09624	2.1
199.11197	1.7
201.09143	4.3
203.10648	73.3
204.11110	2.4
207.10149	83.9
208.10591	1.7
213.03902	6.3
215.10632	13.4
217.12215	13.6
221.11702	28.7
221.13684	2.2
222.12155	1.7
225.12732	1.9
226.78120	1.5
229.12236	5.2
231.04947	7.8
233.11786	2.5
235.06073	1.8
235.13297	10.6
243.13882	6.8
243.15994	1.4
257.15359	2.0
271.16855	2.7
273.06003	15.2
299.20023	84.5
300.20331	3.3
315.07132	1.9
317.21085	100.0
318.21420	4.2
335.22086	2.1
339.07022	3.0
357.08139	3.5
377.89526	1.7
443.07950	2.7
461.09122	5.8
547.25867	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	4.0
61.02920	11.2
64.29044	1.2
65.03942	2.2
67.05496	100.0
69.03427	3.2
69.07068	7.1
69.31326	1.2
71.04987	3.7
73.02912	2.9
79.05480	22.0
81.03416	1.4
81.06561	2.2
81.07047	38.9
83.08604	8.2
85.02897	15.6
85.06527	3.5
86.09682	2.5
89.97266	1.2
90.75263	1.1
91.03954	6.6
91.05468	13.1
93.07037	25.2
95.04972	3.4
95.08596	27.5
97.02891	6.0
97.10174	2.3
99.04469	1.5
105.07032	9.7
107.08583	16.1
109.10147	76.4
111.08080	2.8
117.07025	2.6
119.08546	13.6
121.10120	12.8
122.83946	1.2
123.08030	1.1
123.11729	3.9
125.09612	1.4
127.03926	3.6
131.08548	6.1
133.10139	4.8
135.11697	5.5
137.09593	2.3
145.04964	3.8
145.10117	3.9
147.11671	4.2
149.13255	5.1
155.10677	3.7
159.11702	3.5
161.13255	2.2
163.05974	3.1
163.14825	3.4
173.11749	17.7
173.13174	2.3
184.07300	5.7
187.14842	2.1
189.11273	1.7
198.95531	1.3
227.12802	6.1
229.14322	89.5
230.14624	2.2
243.21120	4.7
261.22122	19.6
317.24738	4.0
319.65619	1.3
335.25757	73.4
336.26053	2.3
346.55832	1.1
369.24194	1.1
397.30957	1.6
409.67169	1.2
471.34625	2.9
489.35690	63.7
490.35809	4.1
507.36679	6.9
713.19989	1.7
848.53168	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	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	4.0
61.02920	11.2
64.29044	1.2
65.03942	2.2
67.05496	100.0
69.03427	3.2
69.07068	7.1
69.31326	1.2
71.04987	3.7
73.02912	2.9
79.05480	22.0
81.03416	1.4
81.06561	2.2
81.07047	38.9
83.08604	8.2
85.02897	15.6
85.06527	3.5
86.09682	2.5
89.97266	1.2
90.75263	1.1
91.03954	6.6
91.05468	13.1
93.07037	25.2
95.04972	3.4
95.08596	27.5
97.02891	6.0
97.10174	2.3
99.04469	1.5
105.07032	9.7
107.08583	16.1
109.10147	76.4
111.08080	2.8
117.07025	2.6
119.08546	13.6
121.10120	12.8
122.83946	1.2
123.08030	1.1
123.11729	3.9
125.09612	1.4
127.03926	3.6
131.08548	6.1
133.10139	4.8
135.11697	5.5
137.09593	2.3
145.04964	3.8
145.10117	3.9
147.11671	4.2
149.13255	5.1
155.10677	3.7
159.11702	3.5
161.13255	2.2
163.05974	3.1
163.14825	3.4
173.11749	17.7
173.13174	2.3
184.07300	5.7
187.14842	2.1
189.11273	1.7
198.95531	1.3
227.12802	6.1
229.14322	89.5
230.14624	2.2
243.21120	4.7
261.22122	19.6
317.24738	4.0
319.65619	1.3
335.25757	73.4
336.26053	2.3
346.55832	1.1
369.24194	1.1
397.30957	1.6
409.67169	1.2
471.34625	2.9
489.35690	63.7
490.35809	4.1
507.36679	6.9
713.19989	1.7
848.53168	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	851.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02354	0.6
63.85239	0.6
64.83630	0.5
65.03932	7.2
66.49470	0.5
69.88563	1.7
71.86358	0.5
77.03932	0.7
79.05499	2.3
81.03424	2.1
89.03916	2.3
91.05466	7.0
93.03395	6.4
95.01327	1.0
95.04970	3.7
97.02909	1.4
103.05490	1.1
105.03392	1.8
105.04543	0.9
107.01308	0.7
107.04945	10.4
109.02891	1.3
110.03673	0.5
111.04433	28.1
115.05452	1.0
117.03391	1.2
118.04198	1.0
119.04939	2.6
121.02863	3.4
123.04417	38.3
124.04797	0.8
125.02343	9.8
125.03194	0.7
127.03889	0.8
129.07024	0.7
131.04938	3.5
133.02832	2.9
134.03596	3.3
135.04407	34.0
137.02341	27.8
137.03438	2.1
137.06000	1.5
138.02707	0.8
139.03886	45.4
140.04247	0.6
141.06987	11.7
141.08061	0.9
143.04993	0.6
145.06471	0.6
147.04384	7.2
149.02357	3.0
150.03117	3.7
151.99387	0.6
152.06270	2.3
153.05534	1.0
153.06987	1.6
155.08620	0.9
157.02757	0.7
159.04453	2.8
160.05302	0.7
161.02370	2.0
161.05980	0.9
163.03891	30.9
164.04239	1.2
165.05614	1.1
165.06987	10.3
167.08588	2.0
169.06477	18.8
175.03941	1.6
176.04758	0.7
176.06116	0.7
177.05481	1.8
177.07031	3.2
179.03415	0.7
181.04948	29.3
181.06398	1.9
183.08038	1.3
187.03867	6.0
187.07526	3.6
191.03343	6.1
193.06483	8.5
194.07307	1.3
195.08093	2.3
196.05191	0.8
197.05939	14.9
199.07414	0.6
203.03362	3.2
204.04216	0.6
205.04863	1.1
205.06494	4.9
209.04427	10.0
210.06749	1.2
211.07520	5.3
213.01903	1.8
213.05495	1.7
215.07014	14.2
221.05954	24.0
222.06601	1.7
223.07530	11.9
223.09550	0.8
224.08116	0.6
225.05446	11.8
226.06142	0.9
231.02827	3.6
233.05975	3.5
234.06586	0.9
237.05542	1.6
239.07007	18.3
240.07645	1.5
241.08789	0.6
242.05714	3.5
243.06555	6.5
249.05457	32.7
250.06149	3.1
251.06969	6.3
252.04335	1.7
253.04941	8.3
255.06496	6.8
256.07114	1.1
257.08093	1.7
259.03949	1.2
261.05548	1.4
262.06308	1.0
263.07138	0.7
265.05069	1.5
266.05829	1.7
267.06485	24.3
268.07309	6.4
269.04526	2.2
269.08044	2.4
271.05984	51.6
272.06369	2.4
277.04926	23.2
278.05640	2.4
279.06433	6.4
281.04370	9.2
284.03201	1.2
285.07550	22.4
286.07605	0.9
289.05051	1.3
291.06412	1.0
293.04791	1.2
294.05362	1.1
295.05981	58.4
296.06506	2.0
297.04135	1.2
297.07660	2.7
299.05460	0.6
299.09119	0.7
305.04529	4.4
306.04980	0.6
307.06204	0.8
309.07480	1.1
313.07019	47.4
314.07413	1.7
319.06042	1.9
321.03970	1.7
323.05457	56.3
324.05942	2.3
325.07275	1.6
331.08099	14.9
337.06964	5.9
341.06519	7.2
341.10333	0.6
353.08148	1.6
365.07092	1.5
371.09354	1.2
381.07446	2.0
382.08536	1.0
383.07736	3.3
386.07968	0.7
387.08966	0.8
399.08701	2.3
400.09442	0.9
401.09882	1.6
409.06775	1.4
410.07983	0.8
411.08185	2.9
413.06458	0.9
415.08163	0.6
427.08105	11.7
427.13818	0.6
428.08807	2.4
429.09592	4.0
443.07510	1.0
445.08652	1.2
455.07550	4.5
456.08450	0.8
457.09103	2.3
469.09332	0.8
473.08646	4.4
493.11276	2.0
515.09863	0.8
521.10706	6.6
531.08844	0.9
543.09186	2.3
554.89325	0.6
561.11627	1.2
579.12665	1.9
589.11523	1.3
607.12433	3.1
611.11920	1.6
625.13379	6.6
653.12823	100.0
654.13086	7.8
807.29462	0.9
851.30139	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	851.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03372	0.5
69.99166	0.5
85.02846	0.7
117.62805	0.4
121.23082	0.5
124.58710	0.5
127.03796	0.5
143.01846	0.5
155.01790	1.0
166.87065	0.5
169.99226	0.5
173.02892	0.9
185.04248	4.1
203.05269	5.2
216.41876	0.5
242.62453	0.5
245.05022	0.8
275.07233	1.6
278.40494	0.5
305.08548	2.7
347.09445	15.7
347.34940	0.5
365.10529	35.0
366.10657	1.1
407.10992	3.1
419.23145	0.6
437.12531	2.0
449.15427	0.5
467.13528	4.6
488.89944	0.5
509.14691	6.0
517.15784	0.8
527.15790	66.2
528.16357	2.4
569.16138	1.0
599.17609	0.6
629.18817	1.7
671.20087	1.7
689.21057	34.4
690.21466	2.1
851.26245	100.0
852.26624	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	851.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.6
67.05511	2.8
67.99343	0.7
69.03425	2.4
69.07051	1.2
71.04999	0.9
73.02914	3.8
73.87347	0.7
79.05492	4.4
81.03434	2.3
81.07067	2.4
83.04971	1.0
83.08615	1.0
85.02905	5.4
87.04460	0.8
89.03941	0.6
90.65602	0.7
91.03928	3.7
91.05473	4.0
93.07017	3.5
95.04983	2.6
95.08591	1.6
97.02875	4.4
98.23510	1.5
101.02395	2.1
105.07043	2.8
107.04958	0.6
107.08588	1.3
109.02943	1.4
109.67001	0.6
119.08591	1.6
123.08119	0.7
127.03943	1.6
129.06999	1.2
147.11710	2.9
151.53633	0.6
161.13277	1.8
163.03960	2.6
171.11752	2.1
203.05264	0.9
243.08475	2.5
247.13074	1.6
303.15717	1.0
347.09601	2.9
405.13605	5.7
465.20956	17.1
471.07156	1.0
621.53857	0.8
627.26172	10.8
689.34680	2.3
851.40198	100.0
852.40637	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	852.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02340	0.3
65.03932	3.4
68.99762	0.5
69.15186	1.3
69.15595	0.5
79.05482	0.7
89.03909	0.7
91.05469	2.6
93.03411	2.6
95.04926	0.5
103.05429	0.7
107.04942	4.3
111.04433	12.3
115.05364	0.5
115.89342	0.3
118.04148	0.3
119.04868	0.7
123.04423	0.6
125.46157	0.3
125.76974	0.3
129.07037	0.3
130.06523	0.4
131.04890	0.5
135.04407	8.9
136.04755	0.3
137.02278	1.0
139.03883	11.5
142.06497	0.8
144.04398	0.5
146.05995	2.3
151.03903	0.5
154.06500	0.5
158.06007	0.6
159.04312	0.5
159.06841	0.4
160.07494	0.9
163.03885	2.6
165.07024	2.7
170.05983	3.3
171.06660	0.5
172.07559	2.7
174.05481	13.1
177.06978	0.4
181.04927	3.1
182.06039	0.3
184.03900	1.5
184.07480	0.5
186.05431	1.3
187.03825	0.8
188.06952	0.4
193.06409	2.4
197.05956	1.3
198.05495	2.6
199.06194	0.7
200.07039	3.6
201.04150	1.2
203.03203	0.3
205.06468	2.1
210.05489	1.4
211.07556	0.6
212.07048	1.2
213.01787	0.5
214.04991	5.1
214.08556	0.7
215.05655	3.4
216.06505	3.2
221.05968	10.5
223.07500	4.4
225.04048	2.1
225.05563	2.2
226.04872	1.5
227.05742	7.0
228.06519	19.9
229.03682	6.1
229.07123	2.0
230.08122	1.0
233.05885	1.6
238.04893	0.6
239.07179	3.1
240.06541	2.5
241.07274	0.9
242.04469	10.2
242.08075	4.5
243.05188	8.5
244.06006	5.3
245.06699	0.6
249.02861	0.7
249.05452	14.4
250.06006	1.2
251.06998	2.9
253.03506	6.6
254.04466	8.6
254.07547	0.4
254.08159	0.3
255.05157	6.8
256.06055	3.8
257.03159	6.7
257.06763	5.1
258.07587	30.2
259.04651	0.6
259.07959	0.9
265.04840	0.5
267.06564	6.6
268.06000	9.5
269.07144	0.9
270.07599	7.6
271.08307	2.6
272.05505	31.4
273.05881	0.8
274.07047	1.1
277.04932	9.6
278.05545	1.0
279.06531	1.5
281.03070	7.7
282.03906	2.6
283.04654	0.9
284.05524	2.1
286.07071	44.4
287.07639	1.5
294.05194	0.4
295.05988	15.3
296.05502	8.8
298.07031	1.2
299.04221	1.3
300.04904	1.2
301.05768	1.9
304.08038	0.4
313.06833	1.0
314.06552	16.8
315.06808	0.4
316.08136	5.7
321.03918	2.6
323.05469	5.5
332.07599	27.3
333.08118	1.4
334.09299	0.9
341.06613	0.9
436.58081	0.3
622.09814	0.4
626.12958	1.6
628.14270	1.0
636.12054	0.5
654.12347	100.0
655.12665	6.5
672.13416	1.0
716.26434	0.4
852.17560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50008	0.6
65.03931	10.0
79.05488	1.4
89.03899	1.4
91.05472	5.7
93.03388	9.2
95.04962	1.2
98.22596	1.6
103.05416	1.0
103.80830	0.6
105.04577	0.7
106.18487	0.7
107.04947	10.8
108.91280	0.6
111.04433	38.8
117.03406	1.2
119.04924	2.4
123.04445	1.8
131.04936	1.7
135.04401	34.1
136.04816	0.7
137.02338	5.7
137.05933	1.8
139.03888	61.2
140.04175	1.0
142.06529	0.7
146.06003	4.5
147.04434	1.7
153.05481	2.3
158.37128	0.6
159.04437	0.9
160.07533	1.1
163.03899	13.2
165.06955	6.7
165.96307	0.7
169.06459	1.1
170.06007	3.1
172.07576	2.2
174.05502	16.3
175.03868	0.6
176.06177	1.1
177.07068	1.2
181.04938	71.4
182.05385	1.0
184.03937	1.1
186.05426	1.3
187.03871	4.9
188.07092	0.8
193.06448	5.7
195.08017	0.9
197.05945	2.1
197.27493	0.7
198.05399	3.2
199.06267	1.1
200.07013	4.3
202.02817	0.7
203.03363	7.9
203.05025	0.8
205.06473	4.9
210.05537	1.9
211.07504	3.0
212.06966	1.4
213.01796	3.3
214.04961	4.7
214.08447	0.8
215.05547	3.6
216.06535	3.1
221.05948	24.5
221.08102	1.5
223.07512	7.2
225.05682	10.3
226.04904	1.3
227.05722	6.6
228.06508	15.8
229.03719	7.5
229.07115	1.6
230.08144	0.8
231.02782	6.7
233.05983	5.3
239.07091	6.3
240.06693	2.0
242.04482	11.5
242.08136	4.9
243.05228	11.1
244.05965	3.5
249.05444	27.0
250.06215	2.6
251.06999	6.9
252.04137	2.2
253.04794	7.3
254.04446	20.4
254.06979	1.3
255.05307	4.8
256.06036	2.7
257.03143	7.6
257.06726	3.8
258.07578	33.5
259.04004	1.0
261.05533	1.5
266.05753	0.8
267.06534	13.1
268.05933	9.5
269.07922	1.3
270.07608	7.7
271.05923	1.9
271.08478	1.2
272.05496	28.1
277.04932	21.2
278.05667	2.2
279.06509	7.2
281.04056	7.3
282.03897	4.8
283.05273	0.9
284.05664	1.3
286.07062	38.0
294.05087	0.8
295.05978	68.3
296.05545	10.1
297.07523	5.5
299.04642	1.2
301.05594	1.2
305.04449	4.3
313.07004	7.5
314.06570	27.5
315.07053	1.2
316.08075	2.0
323.05453	100.0
324.05774	3.0
325.07062	2.1
332.07626	13.6
341.06525	13.8
365.06570	1.3
409.52344	0.7
411.07248	2.1
447.10989	1.1
475.10178	1.1
493.11301	4.6
521.10712	26.4
522.10944	1.2
544.08539	2.5
551.52667	0.7
626.12793	3.0
628.14026	3.1
654.12463	5.2
672.13361	8.5
690.05402	0.8
770.26764	0.8
852.17291	11.4
853.16620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07925	0.9
65.03923	1.9
67.05493	21.6
69.03427	6.7
69.06713	1.5
69.07064	22.2
69.28693	4.9
79.05482	18.3
81.03388	3.2
81.07042	17.0
83.04974	2.8
83.08607	6.7
85.20060	0.9
86.09679	1.4
91.05469	16.9
93.07034	14.6
95.01356	1.0
95.04952	7.3
95.08598	9.4
97.02866	8.9
97.06511	4.3
97.10152	11.1
105.07007	11.0
107.04951	8.1
107.08566	11.5
109.06499	2.3
109.10126	5.3
111.08045	1.7
117.07005	7.0
119.08558	10.1
120.32140	1.0
121.06484	3.6
121.10112	3.1
123.08055	3.5
125.09614	6.6
129.06992	3.0
131.08562	7.4
133.06464	3.6
133.10121	4.8
135.08026	3.5
135.11787	1.2
137.09616	2.1
142.07771	0.9
143.08536	3.2
143.50481	0.9
145.10097	5.5
147.08029	6.2
147.11702	2.3
149.09613	2.2
149.13246	1.5
157.10143	2.7
159.07997	1.8
159.11703	2.3
161.09549	1.6
162.10379	1.7
163.11214	1.3
165.09125	2.0
171.11699	1.3
175.11163	2.2
177.12692	2.3
178.90570	0.8
184.07249	1.0
189.11307	4.8
195.13773	2.2
205.12204	2.0
223.11273	1.6
223.13252	18.5
227.12756	5.4
245.19043	1.6
249.14763	3.3
263.20029	1.1
267.15903	1.6
273.18445	17.5
291.19504	100.0
292.19745	3.0
347.22113	3.2
349.23694	1.1
365.23169	49.0
366.23764	2.0
557.34320	1.4
637.40753	3.2
655.41919	45.7
656.41901	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	852.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.6
67.05161	2.8
67.05502	43.4
69.03428	10.5
69.07063	28.0
71.04993	5.3
77.03899	2.0
79.05489	32.8
81.03410	8.7
81.07051	48.1
83.04989	9.4
83.08605	9.9
85.02884	2.1
85.06577	2.2
86.09733	1.9
91.05471	45.3
93.07045	29.0
95.04963	15.8
95.08600	17.5
97.02881	7.3
97.06522	5.7
97.10144	8.6
99.04419	2.9
105.07018	35.0
107.04935	9.4
107.05585	1.7
107.08582	27.2
109.06509	7.0
109.10144	34.1
111.08086	3.0
116.06242	1.8
117.06997	8.5
119.04923	2.0
119.08561	17.3
121.06508	7.8
121.10128	7.3
123.04514	1.8
123.08078	4.8
123.11713	6.7
125.09646	6.4
128.06290	2.6
129.07004	4.5
131.08565	15.1
133.06461	4.6
133.10112	38.8
135.08051	8.1
135.11662	4.5
137.09624	1.9
143.08549	4.4
145.10117	9.0
147.08031	7.5
147.11661	4.4
149.09618	4.5
149.13268	4.5
151.11159	20.1
155.08408	1.8
157.10162	2.2
159.08044	1.6
159.11629	4.3
161.09578	8.7
161.13300	2.9
163.11215	3.1
169.12209	3.2
171.11717	2.5
175.11201	4.4
177.12781	2.3
178.37732	1.7
184.07349	3.5
185.13219	3.4
189.11212	2.2
190.90051	1.8
215.12793	3.0
223.13243	14.8
227.12646	3.3
236.29317	1.9
245.19131	2.8
249.14890	3.3
253.14310	79.4
255.17282	1.9
263.20059	3.0
263.57410	2.0
273.18466	31.1
291.19516	100.0
292.19794	2.4
309.20493	2.3
324.33017	1.9
347.22250	7.8
365.23196	45.2
366.23627	2.5
471.01334	1.8
543.33044	3.6
561.34222	23.5
637.40826	8.5
655.41937	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44686	0.8
67.78959	0.7
68.75573	0.7
70.88345	0.8
74.24186	0.7
79.01624	2.2
95.01094	3.1
127.00041	2.7
138.02875	1.4
141.05254	1.9
148.86769	0.9
153.01610	1.5
169.04723	1.6
185.04272	2.4
199.05830	1.9
209.04091	1.0
211.05768	1.1
227.05225	12.5
243.04797	2.7
253.03214	1.9
255.04533	1.9
271.04193	7.3
287.07394	1.5
325.17816	3.7
326.18475	6.9
338.18704	1.6
341.37466	0.8
345.40439	0.8
348.26080	0.8
356.19464	1.5
357.20313	10.7
371.09543	3.2
373.11011	1.2
389.10492	8.4
413.10590	1.4
431.11551	12.7
433.09607	1.2
475.10593	4.4
484.46045	1.0
519.09491	6.9
561.26672	1.9
649.20074	0.9
659.69391	0.9
723.32129	2.1
765.33124	11.3
767.31140	4.0
809.31842	26.8
810.32556	2.4
853.30878	100.0
854.31116	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	853.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	8.8
67.05499	6.4
69.03429	5.3
69.07063	1.1
71.01355	0.6
71.04994	1.0
71.26514	0.6
73.02902	6.4
79.05489	2.9
80.00938	0.4
81.03416	2.3
81.07048	3.6
83.05033	0.5
83.08640	0.5
85.02896	7.9
91.03952	4.9
91.05482	2.1
93.07034	3.6
94.21301	0.5
95.04955	0.5
95.08577	3.9
97.02881	10.0
97.03477	0.5
99.04494	1.4
99.76732	0.4
101.02384	2.4
103.03909	0.5
105.07032	1.2
107.08613	1.7
109.02890	1.3
109.06568	0.4
109.10159	5.0
110.83508	0.5
115.03942	0.6
119.08604	1.6
121.10165	1.4
121.92705	0.4
127.03907	2.3
131.08589	1.0
133.10187	0.7
135.11688	1.3
138.91144	0.5
149.09660	0.5
173.11670	0.9
185.04225	0.9
198.23318	0.5
202.44206	0.5
203.05270	1.0
235.97659	0.5
239.95503	0.5
243.08444	2.9
291.19595	0.6
305.08759	0.5
314.34430	0.5
335.25677	0.8
347.09482	2.2
363.08853	0.8
363.77405	0.5
365.10663	1.3
389.48019	0.5
405.13672	7.4
406.14136	0.5
413.17737	6.0
519.29272	7.7
575.23132	4.6
681.34222	7.3
682.34387	0.7
691.40198	2.0
692.41437	0.5
853.45374	100.0
854.45935	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	853.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.5
67.05507	7.3
69.03438	4.5
71.19305	0.9
73.02911	4.2
79.05489	2.4
81.03416	2.6
81.07047	3.1
85.02904	6.4
87.04488	0.7
91.03961	4.0
91.05489	1.8
91.19267	0.6
93.07056	2.4
95.04938	0.7
95.08618	2.1
97.02883	6.1
99.04455	1.2
100.58287	0.6
101.02387	2.2
101.85941	0.9
103.03999	0.8
105.07032	1.0
107.08604	1.4
109.02931	1.2
109.10162	5.7
111.08067	0.7
121.10182	0.9
127.03921	2.6
133.10150	0.9
135.11681	1.0
173.11798	2.3
185.04347	1.0
203.05281	1.0
229.14423	0.8
243.08490	3.1
291.19485	1.5
292.19962	1.0
347.09668	1.9
365.10727	1.0
405.13715	7.0
413.17822	11.4
429.87021	0.7
459.44559	0.6
519.29211	4.5
575.23120	8.8
576.52063	0.7
656.43359	0.9
681.34796	4.1
691.40460	2.2
853.45416	100.0
854.45807	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	854.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	8.4
65.03922	2.2
66.47945	1.3
67.05494	24.3
69.03423	7.3
69.07063	6.0
69.18697	3.7
69.19102	3.9
71.04980	5.6
73.02906	2.5
75.62664	1.2
79.05041	2.2
79.05489	29.8
81.03410	88.2
81.06573	1.4
81.07051	28.9
83.04970	18.6
83.08612	30.2
85.02401	2.4
85.02898	34.8
85.06523	1.6
86.09695	1.3
91.03941	5.5
91.05470	46.5
93.07034	21.2
95.04960	36.4
95.08594	12.4
97.02872	8.1
97.06535	4.5
97.10146	4.5
98.17824	1.3
99.08093	1.4
105.07019	28.6
107.04959	10.0
107.08585	10.2
109.06512	4.5
109.10138	2.8
111.04419	3.0
111.08067	12.5
113.05988	3.2
115.05511	1.7
117.03391	1.3
117.07007	2.6
119.08562	21.0
121.06505	1.8
121.10144	12.9
123.08034	3.1
125.09647	3.5
127.03897	3.0
129.07001	15.2
131.08566	15.9
133.06467	3.2
133.10106	13.2
137.09541	2.9
142.07759	5.1
145.04948	1.7
145.10089	2.8
147.08025	4.3
147.11659	20.7
148.12016	1.2
149.09619	5.2
152.99504	1.2
157.10121	20.6
163.03891	9.7
164.04190	3.4
165.12709	3.5
175.11186	18.5
193.12227	59.3
196.68214	1.3
211.13266	93.7
249.14809	1.9
267.15866	47.6
285.16934	85.6
286.17307	1.8
295.05896	1.3
332.16779	1.5
367.22614	4.1
385.23596	4.1
418.03143	1.5
433.26010	1.4
441.25995	1.7
459.27377	37.1
477.28436	37.5
478.28656	1.7
495.29471	100.0
496.29868	3.7
543.59656	1.3
580.91345	1.4
600.48322	1.5
639.32861	1.9
653.16382	1.3
758.39532	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	2.5
65.03934	6.4
67.05499	88.7
69.03415	10.6
69.07059	36.1
69.65337	10.5
71.04967	7.7
71.08601	3.6
73.02909	2.7
75.00804	2.7
76.24960	2.5
79.05487	68.9
81.03410	16.4
81.07047	100.0
83.04990	16.0
83.08601	15.7
85.02915	4.3
85.06512	6.2
85.10138	2.4
87.04440	5.2
89.06020	15.0
91.05471	91.9
93.07039	64.5
93.21500	2.8
95.04964	27.0
95.08596	43.7
97.02890	5.3
97.06517	18.3
97.10132	5.7
98.23494	3.0
103.05447	3.8
105.04516	5.3
105.07018	75.2
106.07314	3.4
107.04943	14.7
107.08584	56.8
109.06487	11.2
109.10133	53.0
110.10497	2.5
111.08082	7.5
115.05475	3.3
117.06990	21.8
119.04922	3.1
119.08562	34.9
121.06487	11.9
121.10120	17.7
123.08051	7.2
123.11688	10.0
125.09592	5.6
127.07592	3.0
129.06979	10.5
131.08543	28.8
133.06476	5.8
133.08554	8.1
133.10107	77.6
135.08038	11.5
135.11697	15.2
137.09618	5.5
139.11188	2.9
141.07031	3.0
143.08551	6.5
145.10121	16.8
147.08026	8.0
147.11685	13.5
149.09615	17.0
149.13252	5.7
151.11174	39.5
155.08484	3.6
157.10091	7.1
159.11652	11.1
161.09607	9.6
161.13281	5.5
163.11200	12.4
169.10080	4.4
169.12239	5.2
171.11644	6.4
173.13243	3.5
175.11116	5.6
177.11198	3.7
177.12677	4.6
179.10555	2.7
185.13200	3.2
187.14844	3.4
197.13185	4.0
211.14838	4.0
215.12747	3.2
217.12070	3.2
227.12730	4.0
239.18195	2.9
245.19098	4.6
247.20398	3.4
253.11771	6.1
253.14323	92.6
255.15825	5.1
257.18954	4.6
259.20633	3.6
263.19867	5.1
267.15805	3.9
269.17447	16.7
271.15283	3.9
273.18500	27.2
275.20074	23.2
291.19492	24.1
291.22711	3.9
347.22144	9.9
349.23843	14.5
365.23151	30.9
367.25229	2.8
447.27231	6.9
465.28308	10.8
541.34912	5.3
545.34558	17.8
559.36279	37.2
639.42017	11.9
657.42731	3.9
854.44830	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	854.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.2
65.03929	1.9
67.05498	52.4
69.03420	13.0
69.07061	38.4
69.17411	5.7
71.04975	3.1
77.03907	1.1
79.05486	47.3
80.05816	1.0
81.03402	10.1
81.07049	50.9
83.04976	8.6
83.08612	13.8
85.02916	2.8
85.06534	2.4
91.05469	37.4
93.07034	42.3
95.01356	1.2
95.04968	15.0
95.08591	22.6
97.02872	11.2
97.06509	9.5
97.10161	15.4
99.04447	1.1
99.08131	1.7
103.05442	1.4
105.04480	2.3
105.07019	28.3
107.04939	12.7
107.08582	28.1
109.02899	2.0
109.06509	6.4
109.10149	12.7
111.04445	1.3
111.08085	4.2
115.05446	1.4
116.06240	1.1
117.07005	14.5
119.04964	1.9
119.08564	20.4
121.06510	6.3
121.10130	11.4
123.04469	1.4
123.08061	4.3
123.11707	2.4
124.54115	1.0
125.09627	12.0
127.03913	2.5
128.06210	1.3
129.05426	1.1
129.06969	6.9
130.07796	1.0
131.08553	18.7
133.06485	3.6
133.10101	15.5
134.07265	1.2
135.08011	6.1
135.11690	8.3
137.09589	4.0
139.07562	1.2
139.11205	1.1
141.06963	1.0
142.07753	1.0
143.08554	4.8
145.06506	2.4
145.10098	12.9
147.08043	6.3
147.11650	8.6
149.09613	9.8
149.13223	7.4
151.11162	3.7
153.09087	1.5
155.08583	1.9
157.10117	4.4
159.08046	1.4
159.11671	10.8
161.09610	3.8
161.13254	4.0
162.10356	1.0
163.11163	6.5
165.09154	2.1
165.12793	1.9
169.10110	1.6
169.12279	1.9
171.10138	2.8
171.11653	3.0
173.04465	1.5
173.13272	4.1
175.11198	3.5
177.12712	2.9
179.14337	2.2
181.10280	1.3
181.12257	1.1
183.11668	2.1
185.13245	2.5
189.11232	7.3
193.12299	1.1
195.11916	0.9
195.13799	3.5
197.13309	1.0
205.12299	2.5
211.14903	1.0
213.16388	1.2
215.17792	1.2
223.13272	17.0
223.60236	0.8
227.12698	14.2
229.19531	1.1
239.17897	2.0
245.19052	2.6
247.20584	1.7
249.14880	3.2
251.16286	1.2
253.14311	3.9
255.15692	6.1
257.18890	8.1
262.15454	0.9
267.15887	1.3
269.17453	17.7
270.53098	1.0
273.18466	15.6
275.20038	22.2
291.19504	100.0
292.19867	3.9
293.17529	1.3
293.20969	1.3
309.20593	1.7
331.22739	1.7
347.22070	3.1
349.23715	19.8
365.23218	41.2
367.24680	2.6
461.29218	1.7
541.35449	1.4
543.37012	1.6
545.34698	14.0
559.36261	52.3
560.36157	2.5
599.38898	1.3
621.41583	1.3
639.42401	26.0
640.42468	1.9
657.43085	3.1
703.39325	1.1
854.45807	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	854.525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.3
65.03937	3.6
67.05496	69.3
69.03416	15.1
69.07060	46.3
69.84563	1.8
69.84910	5.4
71.01337	1.6
71.04993	5.8
73.02907	3.7
75.94769	1.6
79.05484	62.0
79.28252	1.6
81.03407	14.1
81.07047	66.3
83.04970	10.9
83.08609	15.1
85.02894	6.6
85.06525	3.7
91.03950	2.3
91.05471	51.1
92.05751	1.6
93.07035	51.0
95.04946	21.8
95.08589	34.0
95.09134	2.8
97.02879	13.7
97.06512	12.0
97.10152	13.7
98.23405	2.0
99.08107	4.4
103.05448	2.0
105.04543	2.7
105.07023	39.7
107.04940	13.2
107.08578	39.3
107.09257	2.7
109.02882	2.5
109.06498	6.7
109.10146	24.3
111.04459	1.8
111.08068	5.6
115.05428	2.7
117.07008	17.5
119.04913	2.2
119.08566	24.1
121.06493	6.6
121.10119	15.8
123.08076	7.6
123.11680	4.0
125.06072	1.8
125.09655	8.7
127.03889	3.1
128.06259	2.4
129.07025	5.8
131.08542	24.0
133.06505	5.2
133.10117	30.6
133.11034	2.9
135.08015	7.9
135.11691	10.1
137.09573	3.5
141.06911	2.1
141.53999	1.6
142.07852	2.3
143.08562	6.8
145.06461	2.1
145.10086	19.1
147.08049	7.7
147.11642	9.4
149.09596	8.2
149.13229	8.9
151.11191	6.7
155.08574	2.7
157.10158	5.4
159.08032	2.0
159.11703	9.4
161.09598	5.6
161.13254	2.7
163.11121	9.1
165.09209	2.7
169.10106	2.6
169.12340	2.0
171.11670	3.4
173.13260	3.5
175.11188	4.2
175.46751	1.8
177.09068	1.6
177.12738	2.6
179.14291	2.2
181.10112	1.6
181.12299	1.9
185.13364	1.8
187.11282	1.6
189.11194	4.8
195.13777	4.3
201.12691	2.0
205.12190	2.7
211.14955	1.7
215.12714	1.8
223.13206	14.2
227.12711	8.9
233.15224	1.8
247.20592	1.8
249.14740	3.0
253.14275	23.0
255.15843	5.3
257.19043	6.6
264.76978	1.6
267.15848	2.6
269.17441	23.1
273.18503	23.6
275.20029	19.5
291.19495	100.0
292.19952	2.9
293.21054	1.9
347.22147	5.4
349.23737	14.9
365.23187	42.8
366.24335	1.7
465.28494	2.0
527.33746	1.7
541.34784	4.1
545.34491	15.8
559.36218	61.7
560.36456	2.5
576.23456	2.0
621.41302	3.0
639.42358	15.0
657.43207	2.6
854.45648	41.9
855.45612	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	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	3.5
65.03928	5.4
67.05499	80.2
68.80277	3.7
69.03411	13.7
69.07063	44.4
69.22906	22.4
69.23220	6.6
71.05011	6.8
73.02921	3.8
73.32035	3.2
79.05491	70.0
81.03404	15.3
81.07050	100.0
83.04974	17.9
83.08611	25.6
85.02876	7.2
85.06525	4.9
91.05470	69.7
93.07040	80.3
94.07385	5.3
95.04989	18.3
95.08600	41.8
97.02889	10.0
97.06515	16.7
97.10162	12.4
98.23422	7.0
99.08064	4.1
105.04539	4.6
105.07021	48.4
107.04942	12.5
107.08572	41.0
109.06518	5.6
109.10165	19.1
111.08057	6.9
117.07027	22.9
119.08563	37.7
121.06480	9.7
121.10135	18.6
123.08056	9.0
123.11668	6.6
125.09607	9.2
125.22876	3.3
129.07018	8.3
131.08568	32.3
133.10120	32.9
135.08031	8.3
135.11684	22.6
137.09616	4.3
141.06989	4.0
143.08556	10.1
145.10101	31.4
147.11670	22.3
149.09619	22.8
149.13239	15.3
151.11177	4.3
155.08449	6.2
157.10129	8.9
159.11665	23.6
159.12758	3.9
161.09546	4.1
161.13243	8.1
163.11194	11.3
169.10019	3.9
171.11679	6.2
173.13245	11.0
177.12785	7.7
179.14372	4.7
183.11688	5.8
195.13733	6.3
197.13237	6.3
209.13214	3.6
227.12697	11.7
239.17824	7.4
255.15862	18.8
257.14990	3.8
257.18970	14.6
269.17438	45.0
275.20081	51.8
293.21149	4.1
331.22610	7.5
348.25244	4.6
349.23709	51.0
367.24533	6.8
449.28796	20.9
463.30447	33.2
525.35480	4.8
529.35327	8.2
543.36682	40.6
547.36401	3.7
561.37750	6.3
623.42737	7.8
632.38831	4.8
648.52686	4.3
857.46082	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	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16039	1.2
61.02916	2.4
65.03935	4.7
65.22775	1.3
65.67150	1.4
67.05500	88.4
69.03428	9.7
69.07061	39.1
69.07434	1.6
69.22680	8.6
71.01378	1.4
71.04980	6.8
73.02919	1.9
77.03934	3.2
79.05486	82.6
81.03413	18.3
81.07050	100.0
82.07394	1.7
83.04974	11.9
83.08607	18.0
85.02897	5.4
85.06528	5.4
90.15060	1.3
91.05042	1.3
91.05471	62.4
93.07037	73.3
95.04970	22.2
95.08596	43.9
97.02880	6.3
97.06531	22.2
97.10159	10.8
98.00017	1.5
99.04459	3.9
99.08081	4.4
103.05430	4.1
105.04518	4.2
105.07019	54.7
107.04944	14.2
107.08582	52.3
109.06493	11.5
109.10166	17.7
111.08080	6.5
112.98512	1.6
113.09674	2.8
115.05439	1.7
117.07001	25.0
119.08567	36.2
121.06490	6.5
121.10136	23.7
123.04443	1.9
123.08083	5.1
123.11705	5.3
125.09628	7.9
127.03909	4.0
128.06232	3.4
129.05489	2.0
129.06989	10.1
130.07753	1.6
131.08551	30.9
133.06493	5.2
133.09174	3.2
133.10121	37.7
133.11128	2.0
135.08025	9.7
135.11690	21.9
137.09627	3.5
141.06982	4.1
142.07791	2.3
143.08583	7.6
145.04926	1.8
145.06419	2.1
145.10104	21.1
147.08015	4.2
147.11678	14.3
149.09608	16.5
149.13235	17.4
151.07707	1.5
151.11166	3.3
155.08481	4.1
157.10106	7.0
159.08076	3.2
159.11679	20.4
159.12962	2.3
161.09654	2.7
161.13222	7.7
163.11160	13.2
165.12779	2.1
167.08580	2.0
168.09251	1.7
169.10172	5.5
171.11641	7.9
173.04431	2.9
173.09593	3.4
173.11928	1.9
173.13315	8.6
175.11200	3.8
175.14774	1.8
177.12724	6.4
179.14320	3.5
181.10182	1.9
181.12247	2.4
183.11690	6.4
185.13264	4.9
187.11107	2.3
187.14709	1.6
189.11328	3.0
189.12770	2.1
195.11829	2.1
195.13800	8.6
197.13223	5.4
199.14902	1.8
213.16508	1.8
227.12717	9.8
229.14349	3.2
229.19489	3.2
239.17914	4.7
247.20454	3.7
253.18178	1.8
255.15880	15.0
257.18988	13.5
265.14294	1.7
267.15881	3.4
269.17447	51.7
275.17044	2.3
275.20047	45.8
276.20221	1.8
291.19366	2.0
293.17783	2.0
293.20932	5.4
331.22531	3.5
349.23737	35.5
367.24872	6.7
413.21759	2.7
431.27536	2.2
433.30280	2.2
435.27295	2.9
445.29279	3.2
449.28906	26.0
463.30457	30.6
464.31021	1.6
475.87051	1.5
503.33456	2.3
508.37488	1.6
515.37097	2.1
525.35602	3.9
527.46606	1.9
529.35651	9.5
543.36816	38.1
561.37494	5.5
607.34705	2.3
623.42554	5.7
641.43982	5.2
856.44189	1.7
857.45642	4.8
866.02423	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89220	7.8
61.67635	10.9
67.05492	85.1
69.07076	22.1
71.04974	10.0
79.05476	81.9
81.03390	14.8
81.07043	96.8
83.04977	10.8
83.08599	10.1
91.05472	59.7
93.07007	60.3
95.04978	14.6
95.08599	54.4
97.06568	13.1
105.07018	40.7
107.08582	42.9
109.10136	30.1
117.06971	11.3
119.08557	31.7
121.10133	29.0
131.08549	31.8
133.10083	18.4
135.11711	21.9
143.08504	9.1
145.10161	11.3
147.11690	20.5
159.11674	10.2
173.13284	10.2
180.84995	8.0
181.08519	8.5
229.14301	15.4
254.21494	10.8
260.84314	8.7
269.17474	18.1
273.13715	11.7
275.20074	20.7
309.20575	9.4
332.58936	9.0
335.25833	100.0
349.23596	30.5
413.21570	12.9
431.53598	11.2
489.35535	14.7
529.38800	83.9
569.41711	68.7
609.44855	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4649
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02925	3.1
64.58163	0.5
67.05509	4.5
69.03429	2.0
69.07052	4.0
69.67928	0.9
69.68243	1.2
71.04976	0.7
73.02905	2.4
79.05469	3.2
81.03426	1.8
81.07050	4.2
81.33311	0.6
82.01556	0.5
83.08637	1.4
85.02903	2.3
91.03955	0.7
91.05483	3.0
93.07011	2.7
95.04970	1.6
95.08603	1.4
97.02897	3.0
97.10177	2.5
105.07040	1.7
107.04953	0.8
107.08606	1.7
109.10180	1.9
117.06984	0.9
119.08578	1.1
121.06475	0.7
121.10088	0.7
125.09616	1.7
133.10126	0.7
198.29904	0.6
223.13232	1.1
243.08336	3.6
251.82523	0.7
273.18427	0.7
289.61404	0.6
291.19617	2.5
301.09048	1.1
331.18887	1.7
335.25922	0.9
387.21298	1.1
401.49835	0.7
410.30264	0.5
547.02466	0.5
549.26575	8.7
550.27051	1.0
561.14673	0.6
857.46405	100.0
858.46759	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	857.465
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02917	3.3
67.05502	5.8
69.03416	3.3
69.07053	4.0
71.04992	1.3
73.02911	3.0
73.82491	0.7
77.83508	0.6
79.05490	3.3
81.03416	1.5
81.07041	3.9
82.40700	0.8
83.04980	1.5
83.08610	1.2
83.97639	0.6
85.02897	3.4
91.03954	2.2
91.05470	3.9
93.07046	2.9
95.04973	1.7
95.08584	3.6
97.02896	3.9
97.06525	1.0
97.10178	1.4
101.02403	0.9
105.07026	3.4
107.04977	0.9
107.08617	2.0
109.06544	1.5
109.10161	1.6
111.04470	0.8
111.08096	0.7
117.06980	1.0
119.08619	1.9
121.10143	1.6
123.08054	0.8
125.09661	1.9
127.03943	1.4
133.10152	2.1
147.11702	0.8
159.11682	0.8
175.11250	0.9
185.04303	0.9
193.12180	0.9
199.43471	0.7
223.13370	1.2
229.12073	0.7
243.08444	3.7
273.18518	0.8
291.19675	1.6
313.17880	0.8
331.18985	2.5
335.25925	1.0
387.21649	1.0
451.19293	1.8
531.25793	1.6
549.26642	13.4
550.26746	0.8
605.60199	0.7
621.29285	1.7
759.39777	3.5
839.45355	8.4
857.46423	100.0
858.47009	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	859.4811
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02926	3.0
67.05497	4.8
69.03436	2.6
69.07064	2.0
69.30331	0.7
73.02920	3.2
73.68128	0.8
74.06413	0.7
79.05493	3.0
81.03430	1.8
81.07043	4.5
83.04976	0.8
83.08619	1.3
85.02911	3.6
91.03944	1.4
91.05484	2.5
93.07063	3.3
95.04976	1.9
95.08618	2.6
97.02895	3.2
105.07036	2.1
107.08587	2.0
109.06502	1.3
117.07041	1.9
119.08559	0.9
121.10175	1.0
133.10133	2.3
149.48479	0.9
162.25528	0.9
243.08524	3.4
313.18158	0.9
315.10242	0.9
331.18875	1.8
333.20578	2.1
387.13675	0.9
451.19131	1.0
473.65060	0.9
531.25696	1.4
549.26855	2.7
551.28033	7.1
615.25403	0.9
623.30444	1.2
686.49115	1.0
761.40680	2.1
841.47168	7.9
842.47882	1.4
859.47968	100.0
860.48108	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	859.4801
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
60.64453	0.4
61.02924	4.3
67.05499	5.6
69.03427	3.6
69.07064	4.1
69.55769	1.6
71.01344	0.3
71.04986	0.6
73.02916	3.6
79.05486	5.1
81.03416	2.5
81.07047	5.2
83.04961	1.0
83.08633	1.2
85.02901	4.5
87.04444	0.4
91.03975	1.7
91.05482	4.0
91.06008	0.6
93.07026	3.9
95.04963	1.9
95.08594	2.3
97.02881	4.4
97.06543	1.0
97.10186	1.6
99.04469	0.6
99.08081	0.4
101.02393	1.6
105.07023	2.8
107.04964	0.9
107.08583	3.1
109.02840	0.6
109.06563	0.7
109.10174	1.4
110.52577	0.4
117.07035	1.2
119.08562	2.0
121.10147	0.6
123.08102	0.4
125.09657	1.5
127.03938	1.2
129.07001	0.5
131.08589	1.2
133.10204	1.2
135.08115	0.5
135.11746	0.6
145.10165	0.8
147.07997	0.3
147.11761	0.5
163.11078	0.5
175.11310	0.4
185.04211	0.7
191.12715	0.4
206.54068	0.4
223.13394	1.6
235.78572	0.4
243.08386	3.9
291.19662	1.4
301.08923	0.4
331.18979	1.3
333.20554	2.1
360.75912	0.4
387.21622	0.6
408.33871	0.4
439.19519	0.9
453.21140	0.9
549.26727	5.7
551.28094	6.3
573.75378	0.5
643.24585	0.4
859.48004	100.0
860.48346	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	859.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.4
65.39138	0.6
66.92371	0.6
67.05502	5.7
69.03432	1.9
69.07069	2.8
69.12509	4.3
73.02919	3.0
73.17662	0.6
79.05479	3.3
81.03413	2.2
81.07059	5.4
83.04987	1.1
83.08618	1.2
85.02896	3.9
90.56590	0.6
91.03944	1.2
91.05492	2.7
93.07034	4.2
95.04988	1.5
95.08628	1.9
97.02898	3.6
97.06563	0.8
97.10170	1.7
105.07053	2.2
107.04996	0.8
107.08609	2.6
109.10178	1.9
119.08629	1.1
121.10152	1.4
127.03922	1.1
131.08611	1.0
133.10179	1.8
135.11703	1.2
141.22249	0.6
145.10129	1.0
152.01863	0.6
159.11732	0.9
159.29546	0.5
160.98701	0.8
171.89610	0.6
184.07430	0.9
223.13327	1.1
243.08398	3.7
291.19562	1.3
309.11160	0.7
331.18903	1.5
484.24872	0.7
549.26495	5.6
551.28400	5.4
859.48022	100.0
860.48004	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	861.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.9
68.68424	1.1
71.43262	1.2
81.07048	1.4
87.32661	1.0
95.08620	1.7
102.34694	1.0
107.08667	1.1
121.43055	0.9
123.00657	0.9
130.30580	1.0
146.30182	1.0
185.73508	1.0
576.35413	1.3
861.47662	100.0
862.48511	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	861.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.4
65.15343	1.0
67.05490	1.7
69.16509	0.9
70.55654	2.0
70.55975	1.5
71.25175	1.0
78.98047	1.0
97.02932	1.2
124.18448	1.0
391.85571	1.1
406.96136	1.3
463.69666	1.6
519.29242	2.0
691.40320	1.8
717.41559	1.5
742.50787	1.3
759.43066	1.3
861.47559	100.0
862.48083	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	861.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.5
67.05499	4.9
69.03420	2.8
69.07056	3.0
70.70834	0.4
71.01373	0.4
71.04991	0.7
73.02919	3.1
75.69795	0.4
79.05484	4.6
81.03411	2.5
81.07051	4.9
82.89013	0.3
83.04970	1.1
83.08622	0.6
85.02900	3.0
91.03946	2.2
91.05464	2.9
93.07036	3.4
93.90492	0.4
95.04978	1.3
95.08603	2.1
97.02879	3.2
97.06549	0.6
97.10152	0.8
99.04453	0.4
101.02371	1.8
105.07027	2.1
107.08575	1.6
109.02894	0.4
109.06506	0.4
109.10166	0.7
117.07026	0.8
119.08594	1.3
121.10166	0.8
123.08094	0.7
127.03909	1.0
129.06920	0.4
131.08574	1.0
133.10141	1.3
135.11742	0.9
136.06203	0.7
145.05006	0.4
145.10101	0.7
147.11795	0.7
150.60211	0.4
152.73897	0.4
159.11691	0.6
168.68803	0.3
173.13278	0.4
186.33606	0.3
243.08350	2.8
275.20123	0.6
333.20297	3.7
389.22977	0.9
439.19699	1.6
453.21082	1.3
469.20850	0.8
491.26782	0.3
551.28259	11.4
555.24542	0.4
763.42126	0.7
861.49542	100.0
862.49860	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	861.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60365	0.4
61.02921	4.1
67.05499	5.3
69.03410	3.2
69.07058	2.8
69.59073	0.4
69.64734	0.4
71.04993	0.6
73.02918	2.7
74.86310	0.4
79.05482	3.9
81.03402	1.9
81.07046	5.6
83.04974	0.7
83.08613	0.6
85.02901	4.1
86.09734	0.6
87.04477	0.4
91.03957	1.9
91.05470	3.3
93.07030	2.8
95.04987	1.3
95.08598	2.3
96.71208	0.4
97.02864	3.0
97.06535	1.1
99.04444	0.5
101.02394	1.7
105.06998	2.9
106.52469	0.4
107.04961	0.8
107.08584	2.0
108.19164	0.4
109.02911	0.6
109.06526	0.6
109.10187	1.0
111.08099	0.5
117.07056	1.4
119.08614	1.8
121.10190	0.8
125.09679	0.4
127.03934	1.1
131.08626	1.4
133.10144	1.1
135.03314	0.5
135.11742	1.6
136.06178	1.0
147.11772	0.5
155.88431	0.5
159.11786	0.6
161.23914	0.4
184.07394	1.3
185.04231	0.4
243.08372	3.8
333.20261	2.8
346.01862	0.5
389.22778	0.9
439.19214	2.7
453.20743	2.6
469.20508	0.7
479.72568	0.4
489.37509	0.5
551.28192	10.9
551.36615	0.7
552.27679	0.4
763.42163	1.3
861.49536	100.0
862.50134	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	861.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.7
67.05513	2.9
69.03425	2.0
69.23315	6.1
73.02921	2.9
79.05505	3.4
81.03438	1.3
81.07058	4.4
85.02906	2.4
91.03957	3.0
91.05491	1.4
91.98902	0.9
93.07067	3.3
95.08651	1.7
97.02896	3.2
100.33353	1.1
101.02391	1.9
105.07014	1.2
107.08598	1.5
108.10538	1.0
109.10156	2.0
121.10159	1.2
127.03932	1.2
133.10168	1.3
172.94754	1.0
173.39114	1.0
200.63913	0.9
256.32089	1.0
274.77014	1.1
322.81250	1.1
365.23138	2.8
519.29517	4.4
521.88629	1.0
583.31085	4.2
861.53302	100.0
862.53967	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	863.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.9
67.05497	4.0
69.03419	2.0
69.07053	2.4
69.82722	3.1
73.02912	3.0
79.05490	2.9
81.03415	1.2
81.07056	5.0
85.02908	3.9
91.03952	2.1
91.05488	2.1
93.07051	3.2
95.08611	2.3
97.02891	2.6
101.02385	1.9
105.07032	2.0
107.08586	1.8
108.17838	0.9
109.10199	1.6
119.08586	1.7
121.10131	1.2
131.08575	1.3
133.10190	1.4
145.10150	1.5
153.48239	1.0
190.96506	1.1
216.34895	1.1
243.08502	4.5
285.06714	1.1
351.21451	1.4
535.28729	5.4
569.29285	9.1
641.30841	1.5
649.16058	1.3
863.51129	100.0
864.51746	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	864.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.5
62.57456	0.1
65.03938	1.8
67.05480	0.6
69.03423	1.1
69.44197	0.5
73.02899	0.5
81.03399	0.4
82.04183	0.6
82.96075	0.2
85.02897	3.9
91.03928	0.4
93.03373	0.6
95.04943	0.6
97.02881	1.2
97.06496	0.7
99.04450	0.5
101.02367	0.2
105.04471	0.2
108.02069	0.3
109.02882	0.6
110.03642	0.9
111.04404	0.5
123.04442	0.2
125.05981	0.5
127.03918	1.7
138.03053	0.7
140.04659	1.1
141.41835	0.1
142.02588	0.5
145.04947	1.0
149.83643	0.1
153.05403	2.0
155.07021	0.6
163.05998	1.2
170.87842	0.1
171.06516	4.2
181.04933	100.0
182.05270	1.6
199.05977	0.5
223.05933	1.5
249.63875	0.2
283.08127	0.2
325.09183	0.5
343.10196	30.7
344.10501	0.9
427.39044	0.2
487.14468	0.2
505.15714	0.7
778.92499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29742	0.5
65.63980	0.4
70.48344	0.9
81.73679	0.5
89.14756	0.5
94.04204	0.6
107.04976	0.9
111.61567	0.5
117.03393	0.8
122.03648	1.5
135.04440	0.5
137.05972	15.2
137.06999	0.9
145.02873	1.3
161.06020	0.8
163.03951	1.5
177.05518	1.1
185.04219	0.9
263.92496	0.5
284.09476	0.6
319.07962	0.9
365.13690	1.7
379.09921	9.8
379.14288	0.7
383.14581	0.7
415.96713	0.5
465.18799	7.2
480.73795	0.6
509.17865	1.2
527.18848	7.8
574.73834	0.5
667.16077	2.0
771.74774	0.5
865.28717	100.0
866.29022	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	867.2368
Annotation	Ormocarpin
Peak:m/z	Relative Intensity
61.62653	1.1
64.57340	1.1
69.16349	1.1
71.11909	1.3
101.69485	1.1
104.12997	1.1
119.12128	1.0
136.19290	1.2
200.93613	1.0
252.79773	1.4
346.90598	1.3
467.34195	1.2
543.13379	4.7
705.18207	16.0
706.18842	1.8
867.23663	100.0
868.23627	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	867.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70619	2.8
62.90474	2.7
63.66187	2.8
65.03924	2.9
67.47038	3.0
69.03451	4.2
69.49903	3.1
70.06578	3.7
79.05503	2.9
89.03902	3.5
91.05504	5.0
92.04992	4.0
94.06567	4.3
96.83136	2.7
108.08128	7.7
110.09591	2.8
111.04435	3.6
111.78146	3.0
117.03333	4.3
120.04456	6.5
120.08088	5.2
122.05994	7.4
122.09676	4.2
123.04456	4.5
129.92676	3.1
135.04405	13.5
136.07539	14.9
137.05919	4.3
138.09181	6.8
146.06012	6.8
148.07565	7.1
150.09128	5.7
151.03903	7.0
163.03900	25.5
166.08597	23.2
172.03929	11.8
176.07141	3.3
177.05521	4.4
180.10213	5.6
182.08202	4.2
182.11748	4.1
190.04941	6.7
204.06609	11.1
221.06042	6.0
223.07611	3.3
237.10208	3.7
240.10132	3.9
249.05440	4.6
249.10214	8.8
256.09610	5.7
265.09686	6.1
271.72659	2.9
277.09808	4.3
279.11331	4.5
281.12814	6.3
283.10577	3.8
284.09137	5.6
285.12183	4.4
287.13843	10.4
291.07498	5.5
293.09341	4.0
295.05978	10.0
297.12222	5.4
299.10245	4.1
301.11868	18.1
309.08771	5.5
313.07266	6.2
323.05167	3.6
323.10345	11.1
329.11362	5.9
339.13559	5.3
347.12289	6.2
351.10001	3.4
352.14374	3.8
353.11331	3.6
356.13544	3.9
357.14600	4.4
371.16150	8.5
396.13361	3.5
400.16577	3.9
415.15121	5.9
428.15958	4.0
430.13147	3.6
433.04404	3.3
456.15289	5.8
490.20038	6.8
500.18301	3.8
504.17416	6.2
518.18854	13.2
536.19916	8.5
550.21729	9.7
550.67700	3.8
568.22870	3.9
641.26227	26.1
669.16949	25.1
673.27692	4.8
680.24432	10.3
698.25262	4.5
712.26935	53.8
730.27728	4.1
744.17029	6.2
744.29639	100.0
745.30035	9.0
803.30536	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	868.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89002	1.1
65.03919	1.8
67.05491	1.2
71.43468	1.2
76.70521	1.0
79.05477	1.6
79.12698	1.0
81.07041	1.6
82.43867	1.1
85.02899	1.1
89.03914	1.8
91.05478	2.1
93.03396	2.7
107.04932	4.1
111.04448	11.0
112.40440	1.2
114.55157	1.1
115.63242	1.1
117.03356	2.9
122.39923	1.1
123.04429	3.2
133.02863	1.8
134.03629	9.9
135.04395	11.2
137.02342	7.9
139.03886	17.3
145.02800	2.8
147.04384	3.2
150.03149	1.4
162.03127	1.4
163.03885	18.2
173.02390	1.6
179.03372	2.9
180.04164	16.7
181.04970	11.4
191.03368	2.6
221.06030	2.0
237.05447	1.5
238.06142	3.5
239.07053	2.9
249.05450	3.0
265.05078	2.0
266.05725	4.5
267.06473	25.1
268.07242	2.9
283.05969	50.6
284.06473	3.5
293.04361	5.1
294.05124	15.5
295.05875	4.9
311.05481	36.6
311.09070	1.8
312.06229	100.0
313.06531	4.3
371.07343	2.1
455.07532	13.4
463.09894	1.6
470.52243	1.3
473.08716	6.8
477.18277	1.2
491.09598	29.8
492.10553	28.1
493.10452	1.6
498.34311	1.2
653.12823	66.5
654.12775	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	868.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76620	1.2
65.03944	1.8
67.05485	1.4
79.05466	2.8
81.03416	1.2
89.03889	1.9
91.05462	2.4
93.03397	1.7
95.04936	1.3
105.06985	1.4
107.04980	2.5
107.30750	1.0
110.84260	1.1
111.04447	8.5
112.35749	1.1
117.03363	1.9
122.29044	1.2
123.04401	3.0
133.02843	1.6
134.03619	7.3
135.04382	11.8
137.02333	6.5
139.03876	16.9
145.02832	3.4
147.04387	2.8
150.03130	1.9
150.56937	1.2
162.03078	1.6
163.03886	17.4
173.02386	1.7
179.03403	3.2
180.04155	13.0
181.04955	9.4
191.03377	2.5
221.06047	1.8
221.13121	1.1
238.06253	3.2
249.05510	1.4
255.06351	1.4
265.05002	4.5
266.05731	3.8
267.06528	21.8
268.07068	3.9
283.05975	43.9
284.06393	2.0
293.04422	3.6
294.05185	12.2
295.05917	3.5
306.57169	1.2
307.73111	1.3
311.05469	34.7
311.09088	2.1
312.06241	100.0
313.06616	4.4
371.07565	1.8
455.07620	14.2
473.08643	6.4
491.09665	37.4
492.10428	39.6
493.10788	1.5
561.43750	1.4
653.12860	48.9
654.12781	5.4
710.45886	1.3
715.29352	1.2
867.46954	2.4
867.62787	37.3
868.62885	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	868.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.2
67.05447	0.4
69.17985	1.6
77.03907	0.4
78.04674	0.4
79.05448	0.6
81.03381	0.5
83.04980	0.3
85.02868	0.3
89.03902	1.3
90.94810	0.2
91.05427	1.1
93.03392	1.2
95.08620	0.3
105.03362	0.3
106.04144	0.4
107.04953	2.0
111.04431	5.7
117.03336	1.7
119.04882	0.6
121.02837	0.4
122.03594	0.5
123.04413	2.1
133.02798	0.9
134.03625	8.2
135.03490	0.4
135.04402	5.9
136.05128	0.3
137.02342	2.6
139.03889	9.4
145.02864	1.9
147.04399	1.3
149.02293	0.4
150.03099	1.5
152.04698	0.3
162.03143	1.8
163.03894	14.5
164.04106	0.3
165.06856	0.4
173.02339	1.4
179.03355	1.8
180.04155	11.9
181.04948	4.7
181.06432	0.3
191.03348	3.1
193.06491	0.6
197.06133	0.3
209.05875	0.3
210.06723	0.3
211.07492	0.5
213.05478	0.4
220.05190	0.5
221.05937	1.4
234.16655	0.2
235.87906	0.3
237.05406	1.0
238.06198	3.0
239.06987	1.2
249.05408	2.3
255.06505	0.7
265.04938	2.1
266.05667	2.7
267.06494	17.0
268.07144	2.8
283.05978	18.4
284.06509	1.2
293.04391	3.2
294.05179	11.5
295.05923	3.3
299.05414	0.6
311.05453	9.3
312.06238	100.0
313.06589	4.0
314.06555	0.3
330.07166	0.4
371.07516	1.0
455.07516	6.5
456.07971	0.5
459.27542	0.3
463.09940	0.4
467.23038	0.3
473.08606	22.4
474.09137	2.6
482.78540	0.3
491.09668	8.5
491.26096	0.4
492.10461	41.9
493.10870	2.5
635.11786	0.3
653.12793	18.4
654.13190	1.5
671.14160	0.3
671.34631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91426	0.3
65.03933	1.3
68.36853	0.3
70.69071	0.7
79.05460	0.4
89.03900	1.8
91.05462	0.7
93.03400	1.3
95.04994	0.5
105.03371	0.4
106.04173	0.9
107.04971	2.5
111.04429	6.8
117.03353	1.6
119.04936	0.5
122.03652	0.4
123.04431	2.5
133.02878	1.1
134.02689	0.7
134.03629	7.6
135.04398	8.4
137.02342	3.2
139.02859	0.7
139.03886	8.8
145.02855	2.4
146.92584	0.4
147.04364	0.9
149.02290	0.5
150.02112	0.3
150.03076	2.0
162.03125	1.8
163.03896	17.9
165.07001	0.6
173.02351	1.2
179.03394	2.1
180.04156	12.5
181.04967	4.0
181.06461	0.7
191.03413	2.7
192.05705	0.5
221.06001	1.4
222.06824	0.5
237.05405	1.6
238.06155	2.7
239.06987	1.0
249.05470	2.2
255.06494	0.9
265.04907	2.4
266.05685	3.1
267.06497	17.7
268.07211	3.0
283.05969	19.1
284.06519	1.2
293.04379	2.8
294.01917	0.8
294.05176	11.5
295.05981	2.7
311.05484	8.6
312.06244	100.0
313.06552	3.3
371.07507	1.0
455.07642	5.6
473.08630	22.3
474.09161	1.5
491.09659	8.1
492.10477	42.8
493.10858	2.3
574.14276	0.5
653.12848	17.6
654.13092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02376	0.6
64.57981	0.4
65.67834	0.5
69.20253	2.1
70.06577	0.9
79.05476	1.7
85.02882	0.5
89.03909	8.3
91.05482	0.7
92.37128	0.6
95.04960	0.7
98.22634	0.9
105.03364	0.8
106.23801	0.5
107.04933	2.1
109.02848	0.5
111.04408	1.4
113.06320	0.5
117.03368	9.5
119.04983	0.5
123.04420	16.4
123.07993	0.4
131.04926	0.9
133.79282	0.5
135.04405	19.3
137.02325	3.2
139.03897	1.5
145.02840	11.8
145.03937	1.1
147.04382	3.2
148.05167	1.7
160.05150	2.8
161.05954	0.8
163.03888	100.0
164.04214	2.1
165.06982	1.8
167.08607	0.7
173.02330	1.9
175.03908	1.9
177.05479	1.3
177.07010	0.8
181.05025	0.9
181.06482	1.5
183.08000	0.6
191.03342	1.2
192.04199	1.0
193.06538	0.9
194.07306	0.5
195.08022	1.3
197.05933	1.2
203.03360	1.1
204.04152	1.6
205.06487	4.1
211.07535	3.1
221.05980	4.6
222.06642	0.7
223.07509	8.6
225.05338	1.0
233.05922	2.5
239.07047	7.5
240.07738	0.7
241.08759	0.6
249.05444	4.7
250.06163	1.2
251.07147	11.0
255.06567	0.6
256.07309	1.5
257.08038	4.7
267.06494	9.9
268.07275	5.8
269.08051	13.0
277.04764	0.8
278.05679	0.6
279.06503	1.0
285.07565	6.7
286.08295	1.1
295.05972	8.6
296.06580	1.2
297.07431	0.6
313.07053	6.9
314.07718	6.4
331.08084	17.1
332.08713	2.1
361.42874	0.5
429.09494	1.5
447.10889	2.3
457.09116	0.5
493.11200	8.1
494.12021	13.9
495.12466	0.8
502.56046	0.5
509.24600	0.5
673.14453	0.6
826.28870	0.7
870.29718	2.2
870.43604	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05157	7.9
67.05498	99.9
69.03415	12.8
69.07062	76.5
69.11880	7.6
69.12282	25.7
71.04982	23.7
79.05487	98.9
81.03409	20.3
81.07053	100.0
83.04975	19.0
83.08614	18.5
85.02901	13.3
85.06541	5.4
91.05473	70.5
93.07039	70.4
95.04961	25.6
95.08591	42.5
97.02884	10.2
97.06528	69.0
97.10156	16.2
98.22687	8.2
99.08081	6.7
105.04470	6.6
105.07024	64.6
107.04969	17.9
107.08582	50.2
109.06508	17.1
109.10137	34.3
111.04451	5.1
111.08060	15.1
115.07588	15.6
117.06994	28.5
119.08569	40.2
121.06470	10.7
121.10117	23.0
123.08060	9.3
125.09628	15.3
127.03866	5.2
128.06271	4.4
129.07013	9.9
131.08559	35.3
133.06412	4.7
133.10115	36.5
135.08028	12.2
135.11717	12.2
141.06952	4.9
143.08557	11.9
145.06494	7.1
145.10146	32.6
147.08028	5.2
147.11679	18.4
149.09593	15.5
149.13312	12.3
155.08600	6.8
157.10109	14.6
159.08095	5.2
159.11670	23.8
161.09587	9.8
161.13219	10.6
163.11172	9.4
169.10143	8.5
171.11702	7.3
173.13136	4.8
175.11214	6.4
177.12778	8.1
183.11685	6.2
184.07367	10.1
185.13252	6.0
187.14905	5.1
195.13907	4.5
195.97481	4.9
217.15895	8.7
227.12796	12.5
227.68167	4.6
229.14333	7.5
233.15158	5.7
253.14240	9.7
255.15788	9.0
257.19009	10.5
269.17484	35.3
273.18530	39.0
275.20044	32.0
291.19531	46.6
297.16776	5.4
347.22119	9.9
349.23651	14.4
365.23193	24.0
378.71973	4.8
449.29434	6.4
463.30753	9.8
519.32892	15.1
541.35675	5.8
543.36432	5.9
551.05072	4.8
559.36047	19.6
639.42279	19.1
657.43073	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	873.2075
Annotation	Kaempferol 3-(2''-feruloylglucosyl)-(1->2)-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
62.33704	0.1
68.99780	0.2
69.92515	0.3
81.03408	0.1
82.17160	0.1
111.00774	0.1
115.05419	0.2
117.03345	0.1
121.02859	0.2
137.02341	1.8
137.03354	0.1
139.05374	0.1
141.06949	0.1
143.04916	0.2
145.02815	0.2
147.04369	0.1
149.02328	0.3
150.03214	0.1
157.06488	0.3
161.05968	0.3
163.03926	0.1
165.01816	0.2
167.05003	0.1
171.04352	0.2
175.03873	0.2
175.07452	0.1
177.01826	0.1
177.05417	0.2
185.05972	0.8
189.05421	0.4
199.03809	0.1
203.07010	0.2
213.05437	1.8
216.04169	0.1
231.06520	0.7
241.04892	0.8
242.05632	0.2
259.05960	0.3
269.04370	0.3
287.05460	100.0
288.05814	2.5
301.07001	0.2
308.13278	0.1
329.06433	0.1
364.14612	0.1
491.11871	0.5
515.81812	0.1
535.10760	9.1
536.10919	0.4
584.03522	0.1
625.15442	5.2
626.15552	0.2
873.20642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	7.9
65.03944	2.6
67.05500	44.4
69.03420	1.9
69.07053	11.5
69.68035	5.5
71.04971	3.7
79.05484	34.6
79.25314	1.5
80.30850	1.6
81.03422	2.2
81.07055	34.3
83.04984	13.5
83.08620	5.2
83.85327	1.5
85.02894	5.5
91.03949	4.2
91.05461	20.2
93.07037	48.4
95.04980	4.5
95.08594	25.3
97.02895	5.0
97.06516	8.3
97.10172	3.9
105.04538	2.5
105.07013	8.5
107.08580	24.6
109.10142	12.7
109.10769	1.5
111.08086	2.8
117.07005	5.2
119.08567	7.0
121.10154	14.7
123.11703	2.0
125.09596	2.0
131.08606	5.3
133.10117	5.2
135.10655	1.8
135.11684	31.4
145.10100	8.3
147.11678	4.8
149.13274	3.9
153.12740	7.1
159.11725	3.0
161.13257	2.5
163.05988	1.6
163.11192	3.6
163.14844	2.4
168.31699	1.8
173.13266	2.6
181.12242	10.8
189.11151	1.8
227.12836	2.5
243.21071	2.2
255.15897	63.7
256.16098	1.9
261.22150	9.7
289.25327	1.6
317.24826	1.8
335.25787	64.7
336.26208	3.3
423.32407	2.2
441.33453	2.6
496.32141	1.7
497.36285	2.5
515.37305	100.0
516.37628	5.0
533.38446	3.7
675.04474	1.8
874.44409	13.7
875.45801	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	875.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43391	1.1
79.05506	1.2
113.04269	1.1
149.02332	2.6
163.03889	1.8
308.62036	1.3
325.30667	1.5
378.02890	1.4
430.38486	1.3
615.16644	1.2
875.45355	100.0
876.46088	8.1
904.30023	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4755
Annotation	Pectenotoxin 1
Peak:m/z	Relative Intensity
61.02939	2.6
67.05495	3.3
69.03429	1.7
69.07062	1.6
69.90166	0.7
71.05013	0.7
73.02923	2.4
79.05506	2.8
81.03410	1.8
81.07072	2.9
83.04960	1.1
85.02911	2.4
88.74828	0.6
91.03955	1.0
91.05510	2.3
93.07056	2.2
95.04980	1.3
95.08612	1.4
97.02911	2.6
97.06535	1.7
97.10200	1.2
101.02385	1.0
105.07038	2.1
107.08607	1.3
114.24384	0.7
116.12700	0.6
119.08629	0.9
121.06587	0.6
126.22175	0.6
127.03986	0.8
130.92972	0.6
133.10130	1.0
135.08038	0.9
162.03389	0.7
184.07314	0.8
223.13210	0.9
243.08467	2.4
291.19647	0.9
301.09155	0.8
349.20001	2.0
439.19308	1.1
515.55029	0.7
549.26483	3.4
551.18231	0.8
567.27679	3.8
663.90833	0.7
777.40875	0.9
875.47430	100.0
876.47418	7.0
906.88971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
71.77579	1.0
89.03935	2.8
117.03393	1.5
123.04449	4.0
135.04439	3.5
145.02876	1.8
163.03893	7.5
176.63780	0.9
192.06786	0.9
195.08224	1.1
210.09198	2.7
226.08734	2.9
236.07123	3.7
238.08693	2.3
240.10297	3.8
250.08685	1.7
253.08643	1.3
254.08327	1.5
255.10132	2.4
264.06729	1.5
266.08273	1.0
267.10263	1.6
268.09619	5.6
269.07986	1.3
278.08298	1.0
283.09512	4.9
296.09262	1.9
297.11133	4.6
298.11551	4.0
310.11197	1.7
311.09161	1.7
318.11194	1.3
325.10724	6.2
326.10922	7.2
329.10382	2.2
330.11508	1.6
331.11752	1.3
332.09039	1.3
332.12848	1.1
342.11368	1.2
343.12057	1.3
344.09201	2.1
344.12964	1.2
345.09988	1.4
345.13690	3.1
346.10785	2.8
347.11380	1.8
354.10980	1.4
358.10880	3.6
359.11612	1.3
360.12381	5.2
361.12973	3.9
362.13751	1.3
370.10608	1.9
371.11487	8.0
372.12192	4.8
373.12891	2.7
374.09842	1.3
374.13971	3.6
375.10849	1.7
376.11661	1.0
382.10739	1.6
386.10376	3.0
387.14780	1.6
388.11557	2.2
389.12341	2.6
390.13397	2.8
397.09647	4.3
399.11154	1.5
400.11823	5.2
401.12476	1.7
402.13574	1.4
403.14151	10.0
404.14990	3.2
414.13522	1.5
415.13885	1.3
417.12030	1.2
418.12732	18.4
418.17484	1.3
419.13177	1.4
429.12000	13.2
430.12576	3.1
431.13791	4.3
432.14401	18.4
433.14807	7.9
446.12225	7.2
457.11832	3.6
460.13901	20.6
460.20120	1.4
461.14505	71.8
462.14856	4.5
489.14139	15.7
507.15295	1.7
668.17853	6.2
669.18158	51.8
670.18628	3.5
697.17938	5.2
877.21832	100.0
878.22272	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	877.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.0
67.05493	2.3
69.03400	1.4
69.07053	1.1
73.02900	1.8
79.05498	2.5
81.03411	0.8
81.07038	1.9
83.91227	0.5
85.02889	2.7
91.03939	1.8
91.05471	1.5
93.07033	2.7
95.08636	0.9
96.34435	0.5
97.02878	2.0
97.10171	0.7
98.23475	1.7
99.04445	0.7
105.07018	1.6
107.08596	1.4
109.10133	0.8
117.07033	0.6
119.08564	0.8
121.10191	0.6
125.09635	0.5
127.03918	0.8
135.78629	0.5
151.48555	0.5
162.83035	0.5
184.07245	0.7
185.04120	0.7
203.05344	0.6
243.08374	2.0
301.08948	0.8
315.10431	0.7
365.22974	2.3
439.18738	0.6
465.20679	0.6
535.28687	3.3
541.22699	0.7
567.25684	1.1
583.30804	3.1
791.41541	1.2
859.47900	0.8
877.48151	100.0
878.48181	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	877.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.3
63.25554	0.5
67.05502	4.2
69.03417	2.5
69.07068	3.0
70.14174	1.0
73.02930	1.5
74.94331	0.4
79.05492	4.0
81.03419	1.0
81.07057	3.8
83.04970	0.6
83.08627	0.9
85.02896	3.7
89.76381	0.4
91.03956	1.6
91.05490	2.1
93.07031	3.2
95.04970	1.5
95.08609	1.9
97.02907	3.0
97.06540	1.6
97.10172	0.7
98.23523	0.5
101.02404	1.5
105.04465	0.5
105.07052	1.4
107.05029	0.7
107.08601	2.0
109.02912	0.5
109.08128	0.5
109.10167	0.9
119.08567	1.1
121.10143	0.6
125.09703	0.6
127.03941	0.5
131.08583	1.0
133.10144	1.0
135.11786	0.5
138.50433	0.6
145.10193	0.7
154.32076	0.5
184.07414	1.5
243.08487	2.3
333.20499	0.7
349.19995	2.6
351.21497	0.7
400.90103	0.5
417.37851	0.5
439.19601	1.0
453.20856	0.9
515.80402	0.6
549.27148	1.6
551.28076	3.8
551.79340	0.5
567.27478	2.9
569.29309	2.7
877.49066	100.0
878.49225	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	877.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.6
67.05494	2.6
69.03439	2.2
69.07060	1.8
73.02917	2.5
75.31722	0.7
79.05463	3.4
79.77962	0.7
81.03443	1.0
81.07045	2.3
83.08623	0.8
85.02900	3.3
85.06562	0.9
91.03931	1.1
91.05515	1.9
93.07049	3.1
95.08610	2.2
97.02890	2.2
98.23602	0.7
101.02358	1.0
101.86793	0.7
105.07034	2.5
107.08623	0.8
109.10144	1.1
119.08588	1.3
119.75926	0.6
121.10172	1.0
127.03963	0.8
131.06345	0.7
131.17390	0.8
133.10211	1.1
144.26917	0.7
147.11679	1.1
150.71817	0.6
219.75024	0.7
243.08322	1.8
275.25320	0.8
301.08902	1.1
315.10315	0.8
327.36655	0.8
351.74344	0.8
365.22992	2.6
535.28552	4.3
583.31104	4.0
589.69720	0.8
877.51953	100.0
878.52014	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	879.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	16.2
74.03388	0.4
77.03904	0.7
77.17922	0.5
79.05485	3.3
81.03409	1.4
89.03922	2.7
91.04932	0.9
91.05470	9.8
93.03396	13.6
95.04951	2.0
105.04537	0.6
106.34985	0.5
107.04947	18.5
109.02882	0.7
111.04431	70.3
112.04741	0.8
117.03365	1.8
119.04916	3.1
123.04390	2.5
127.03870	0.6
128.85355	0.4
129.16296	0.5
134.06021	0.5
135.04399	58.4
136.04712	1.2
137.02330	21.3
137.03392	1.3
137.05917	2.5
139.03883	100.0
140.04240	1.0
145.02856	1.0
147.04427	1.1
151.61502	0.5
153.05461	1.1
163.03886	23.8
164.04271	0.8
172.25891	0.4
173.24806	0.5
181.04935	61.8
182.05339	0.9
187.03946	0.5
189.06969	0.8
197.05981	0.7
205.06462	1.2
209.04318	1.0
215.42186	0.5
217.06497	1.0
218.07283	0.5
221.05940	1.6
225.05203	0.4
226.07770	0.9
227.08672	0.6
229.06261	0.5
233.05971	1.6
235.07516	0.6
237.05440	1.1
239.08553	1.2
241.10114	1.3
245.05910	0.9
247.07474	0.7
249.05334	1.3
250.07910	1.1
251.08549	1.1
252.09219	1.1
253.04903	0.7
253.10052	1.0
255.08130	0.8
261.05502	2.0
262.06265	0.8
263.06540	0.9
263.08868	1.1
265.04895	2.6
268.08859	0.7
269.09622	2.8
273.05402	0.9
277.05057	1.7
278.05646	0.7
279.08118	6.7
280.08609	1.0
281.09537	1.9
283.07559	1.2
284.08377	0.6
285.09210	0.6
289.04880	3.8
291.06537	1.9
293.04370	1.0
294.05151	0.5
295.05933	1.9
296.08414	1.1
297.09161	7.7
298.09613	0.6
299.10541	0.6
300.07751	1.0
301.04987	0.8
301.08527	0.6
303.06467	0.6
307.07568	5.6
308.08279	1.3
309.09061	4.0
311.06985	1.5
312.07379	0.6
313.08588	1.5
315.01468	0.4
315.10074	1.6
317.04269	2.8
318.05173	1.5
319.05615	4.0
320.08344	0.6
321.03885	0.6
321.09155	0.7
323.05267	2.7
324.07764	1.4
325.08539	12.0
326.09177	2.2
327.10214	1.5
328.07300	0.9
329.08035	3.1
333.03922	0.8
335.07004	4.7
336.07693	2.1
337.08563	7.3
338.09158	0.8
339.06400	1.9
340.07422	0.8
341.07971	1.9
342.08896	1.1
343.09546	3.2
345.03876	2.5
346.04663	1.5
347.05356	4.8
352.07339	1.8
353.08032	22.8
354.08740	3.2
355.09653	4.4
357.07477	5.5
359.08911	0.6
363.05060	5.9
364.07202	1.1
365.07993	7.6
366.08762	1.7
367.05673	0.8
368.06699	0.8
369.07413	0.7
370.08304	1.0
371.09134	8.7
372.09814	0.5
373.03360	11.4
373.10657	0.6
380.06744	1.0
381.07526	26.9
382.08185	5.4
383.09015	8.8
384.06033	1.1
385.06985	6.4
387.08499	2.1
391.04944	3.7
392.06461	0.8
393.07480	5.0
395.05127	0.7
397.06970	1.8
398.07764	0.9
399.08582	20.5
400.09076	0.9
401.70761	0.5
403.07980	0.6
409.07043	17.0
410.07608	3.8
411.03140	0.7
411.08563	13.0
413.06531	19.2
414.07187	0.8
415.08249	2.2
419.05600	0.9
421.07007	1.5
427.08090	46.2
428.08514	2.9
429.09711	4.8
437.06503	12.6
438.07144	1.9
439.08191	7.7
441.05957	17.1
441.11890	0.9
442.06430	1.0
455.07565	98.3
456.07889	5.6
457.09131	9.2
463.14734	1.2
465.05984	1.3
473.08569	4.7
483.07062	71.9
484.07727	3.5
485.08646	1.0
501.08118	24.6
502.08319	0.8
571.08600	1.6
635.10944	0.7
639.11072	0.6
653.12933	7.0
655.13843	1.3
663.10846	1.6
681.12286	60.5
682.12610	3.6
699.13000	2.4
765.81384	0.6
879.18134	3.9
914.76196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	7.7
65.03941	0.7
67.05499	2.9
69.03425	3.3
69.07063	2.0
71.01338	0.8
71.39095	0.6
71.43443	0.9
73.02917	5.1
79.05489	2.2
81.03423	1.7
81.07024	3.3
85.02884	5.6
90.88110	0.7
91.03930	3.7
91.05460	1.4
93.07042	2.9
95.02124	0.6
95.08627	1.6
96.89114	0.6
97.02892	5.5
99.04469	1.2
101.02387	1.9
105.07030	1.1
107.08578	1.6
109.02838	0.8
109.10135	1.0
119.08550	0.8
121.10156	1.3
127.03917	1.9
135.11694	1.3
156.13133	0.6
177.31203	0.6
221.11609	1.1
243.08513	2.0
297.61493	0.9
347.09610	2.4
365.10358	0.9
405.13495	4.6
439.19205	4.8
519.29230	4.9
551.91089	0.7
572.75830	0.6
601.24573	2.8
681.34381	5.7
717.41315	1.1
879.46936	100.0
880.47333	8.6
890.93866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.9
62.11061	0.5
65.03947	0.5
67.05499	4.8
69.03433	2.3
69.07078	2.8
71.04985	0.9
73.02934	2.2
79.05489	3.4
81.03427	2.0
81.07057	3.8
81.88908	0.5
83.08646	0.8
85.02900	3.4
85.06564	0.7
91.03969	2.0
91.05461	3.0
93.07024	2.6
95.04987	0.7
95.08620	2.0
97.02914	2.2
97.10179	0.9
98.22617	1.0
101.02407	1.4
105.07050	1.2
107.08615	1.5
109.10166	1.2
111.08089	0.5
117.07039	0.6
119.08624	1.1
121.10182	1.2
127.03959	1.0
131.08575	0.9
133.10156	1.4
243.08275	2.5
257.95941	0.7
333.20511	1.4
351.21423	1.3
453.21332	1.1
520.33630	0.8
551.28284	5.3
552.28961	0.7
569.29376	5.6
879.50641	100.0
880.50989	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	880.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.8
69.06950	6.3
69.99513	0.9
75.21124	0.9
77.03918	1.4
79.05486	1.4
91.05466	5.8
92.05042	0.9
93.03418	3.7
95.04963	2.7
98.23452	1.5
105.03448	1.1
107.04951	5.6
107.09672	0.9
111.04439	18.5
111.05166	1.3
117.03373	1.2
119.04968	3.2
120.04461	3.3
121.06521	1.9
123.04424	37.2
131.04929	1.3
132.04460	1.3
133.02867	1.7
133.05246	3.6
134.03586	1.0
135.04404	17.3
137.02354	3.4
137.05994	1.8
139.03891	27.9
144.04469	1.4
146.06078	1.4
147.04398	1.9
148.03918	24.5
148.07669	1.1
149.04745	7.2
149.05887	1.6
150.05534	1.0
153.05461	1.6
161.04726	2.8
162.05507	2.5
163.03879	6.5
165.07011	5.3
174.05573	1.1
175.03958	1.3
176.07082	11.6
177.05400	2.1
177.06935	1.0
178.05026	3.3
181.04948	17.7
181.06425	1.8
187.03993	1.6
188.07103	1.8
193.06502	2.8
196.07620	1.5
197.05989	1.7
202.05006	3.6
203.03397	3.3
204.06586	1.5
205.06523	2.3
208.07613	2.0
211.07669	1.7
212.07053	1.2
213.01842	1.8
220.07573	1.5
221.05974	15.6
222.09117	1.7
223.07533	2.9
224.06886	1.1
225.05479	6.3
225.07620	1.8
226.08614	2.3
231.02928	2.3
233.05925	1.7
233.23790	1.1
235.06213	2.2
236.07028	4.0
237.07852	1.9
238.08571	2.6
239.07010	3.4
240.10226	1.3
241.07494	1.7
242.08092	1.2
249.05452	16.4
249.07849	2.3
250.08624	2.7
251.06973	2.8
252.06572	2.2
252.10185	2.8
253.04855	3.7
253.07387	3.3
254.08093	12.1
255.06479	4.3
257.06711	1.7
264.06598	6.9
265.07349	3.7
266.08060	3.1
267.06516	9.1
268.09625	5.3
269.06705	4.5
270.07559	4.3
271.08469	1.8
277.04944	13.7
278.08118	4.1
279.06461	3.4
280.06137	3.3
280.09677	7.9
281.04416	3.5
281.07037	2.1
282.07538	12.3
283.08359	4.7
284.09073	9.2
285.06158	4.3
295.05963	34.6
296.09140	18.0
297.07230	2.0
297.10077	2.1
298.07416	1.5
298.10760	5.4
300.08627	25.0
305.04282	1.3
306.07614	1.7
308.05545	1.2
309.06271	8.3
312.08633	28.1
313.07098	3.2
314.10172	16.6
323.05457	34.3
323.09244	2.1
324.05200	0.8
324.08670	12.4
327.07401	3.3
340.08124	5.0
341.06705	2.5
342.09698	43.0
343.09912	2.0
358.08893	2.0
360.10712	14.5
434.12790	1.2
521.10370	5.9
572.10254	1.1
595.49731	1.0
654.16187	1.2
656.16150	1.1
664.14215	3.5
682.15479	100.0
683.15662	8.0
700.15814	1.9
862.18909	1.4
880.19775	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	880.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	7.7
67.05499	12.7
69.03413	2.7
69.07065	7.1
70.46777	1.3
71.05000	2.3
71.08630	13.8
73.02907	1.9
79.05479	9.3
81.03399	6.1
81.07051	14.7
83.01333	5.0
83.04969	5.1
83.08612	11.8
85.02891	13.4
85.10165	5.7
91.03947	8.3
91.05448	6.4
93.07031	12.9
95.04975	4.2
95.08591	13.0
97.02888	6.8
97.06538	2.1
97.10159	3.6
99.04448	2.1
105.07030	2.5
107.04949	4.7
107.08591	6.1
109.06517	3.7
109.10161	4.8
111.04472	2.3
117.07018	3.2
119.08584	4.2
121.06502	2.3
121.10149	5.0
123.08068	6.6
123.11717	2.0
125.05978	1.5
127.03855	1.9
135.08005	1.5
135.11667	6.8
137.13293	1.4
145.04929	2.8
145.10095	11.4
153.77962	1.2
163.06018	4.7
163.11156	13.6
184.98724	1.3
191.10675	1.5
209.11722	3.5
227.12814	1.6
239.23705	1.5
257.24710	2.2
283.15369	100.0
284.15683	2.5
313.27304	64.6
314.27740	2.7
392.68726	1.2
405.31158	1.4
521.38354	48.3
522.38666	2.2
816.75848	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4861
Annotation	Carriebowmide
Peak:m/z	Relative Intensity
61.02920	4.8
67.05505	2.7
69.03418	4.8
69.07066	1.0
71.57748	0.8
73.02908	4.4
79.05515	2.2
81.03407	1.7
81.07044	4.1
83.04983	1.1
85.02903	6.1
87.04504	0.7
91.03955	3.9
91.05487	2.1
93.07032	1.9
95.08620	3.2
97.02879	7.5
99.04422	1.5
101.02380	1.4
105.07036	2.2
107.08601	1.5
119.08570	1.1
121.10178	1.2
127.03973	1.8
145.04976	0.8
147.11719	0.8
185.04276	0.7
203.05284	0.9
243.08408	2.1
253.34152	0.9
256.02481	0.8
347.09589	1.6
365.69470	0.9
368.09671	0.9
375.73615	0.9
376.07663	0.9
384.70755	0.9
390.69333	0.9
398.61993	0.9
405.13611	5.3
432.21982	1.0
441.20908	6.0
519.29541	4.1
603.26074	6.4
681.34729	3.7
719.43396	2.6
881.48553	100.0
882.48328	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	882.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81750	1.0
65.03938	1.2
66.55283	1.3
66.95257	1.2
67.05498	21.5
69.03415	3.4
69.07060	10.5
71.04961	3.5
71.08623	17.7
71.92383	1.0
73.02900	3.3
79.05487	13.5
81.03410	40.4
81.07047	23.7
83.04980	7.4
83.08614	22.0
85.02402	2.0
85.02893	25.6
85.06519	1.4
85.10175	11.5
89.06014	1.5
91.03956	7.5
91.05468	19.3
93.07040	9.1
95.04958	20.4
95.08598	18.4
97.02879	8.4
97.06510	2.5
97.10154	4.7
105.07018	13.3
107.04916	4.9
107.08562	4.0
109.06519	2.3
109.10177	8.3
111.04442	1.8
111.08058	7.8
111.11716	1.3
113.05979	2.1
119.08585	13.2
121.06451	1.3
121.10122	5.0
123.08047	1.9
123.11673	4.4
129.07010	9.5
131.08528	8.4
133.06503	1.3
133.10120	8.9
142.07779	2.2
145.04935	2.0
147.08000	1.8
147.11673	10.4
149.09595	5.0
157.10091	9.3
163.05940	1.6
163.11143	1.4
165.12735	2.5
175.11154	10.3
184.07349	1.7
193.12219	27.6
211.13269	44.0
239.23785	1.7
244.96843	1.2
257.24738	2.2
267.15924	14.0
285.16925	64.4
313.27332	58.5
464.51965	1.4
505.38620	14.1
523.39905	100.0
524.39771	3.5
544.21179	1.3
767.14893	1.2
882.48029	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99792	0.2
70.59435	0.1
81.03413	0.1
84.65881	0.1
109.02859	0.1
111.00808	0.1
115.05423	0.1
119.04938	0.1
121.02869	0.2
123.04422	0.1
127.03899	0.2
129.06987	0.1
137.02322	1.9
139.05449	0.1
145.06480	0.1
147.04373	0.4
149.02354	0.4
157.06453	0.3
161.05978	0.2
165.01839	0.2
167.04877	0.1
171.04416	0.2
175.03845	0.2
175.07465	0.1
183.52701	0.1
185.05977	0.6
189.05458	0.3
199.03769	0.1
213.05420	1.5
216.04132	0.3
231.06372	0.6
241.04990	0.6
242.05643	0.1
259.06021	0.2
269.04434	0.3
286.04791	0.1
287.05460	100.0
288.05817	2.3
383.28110	0.1
533.12555	0.3
559.10846	0.1
577.11810	9.9
578.11841	0.4
595.14417	4.2
596.14569	0.2
837.10034	0.1
885.20557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56181	0.0
65.03912	0.1
68.99765	0.2
69.03414	0.1
71.43604	0.1
81.03375	0.2
83.04948	0.1
85.02866	0.2
88.67403	0.0
89.03855	0.1
90.42293	0.0
91.05451	0.1
97.02850	0.1
109.02831	0.2
111.00751	0.2
111.04402	0.1
115.05422	0.2
117.06990	0.1
119.04908	0.1
121.02831	0.2
123.04423	0.2
127.03870	0.1
129.07002	0.1
135.04391	0.1
137.02335	1.7
137.03342	0.1
139.03877	0.1
139.05437	0.1
141.06973	0.1
143.04846	0.2
145.06454	0.1
147.04408	0.4
149.02335	0.4
150.03024	0.1
151.03870	0.1
157.06461	0.3
161.05916	0.2
163.03841	0.3
165.01831	0.2
171.04422	0.2
171.06500	0.1
173.05931	0.1
175.03886	0.2
175.07536	0.1
177.01834	0.1
177.05409	0.1
185.05943	0.5
189.05441	0.3
191.03342	0.1
193.04955	0.1
199.03888	0.1
203.03397	0.1
203.06966	0.2
213.05450	1.6
216.04134	0.2
217.04921	0.1
230.05602	0.1
231.06427	0.6
241.04910	0.8
242.05692	0.2
258.05154	0.1
259.06012	0.3
269.04330	0.4
286.04459	0.1
287.05457	100.0
288.05777	2.7
329.06393	0.1
444.04382	0.1
451.12619	0.1
491.11505	0.1
533.12927	0.5
577.11804	9.0
578.12091	0.5
595.14374	3.8
596.14575	0.2
885.19409	0.7
886.19751	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	885.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43391	1.0
63.66054	0.8
66.66317	0.9
69.03419	5.4
71.01360	1.4
71.04988	1.3
71.08637	2.2
71.43552	1.0
73.02902	7.7
73.03229	0.8
75.94271	1.1
81.03415	4.6
81.07060	3.1
83.04981	1.2
83.08601	1.8
85.02895	11.4
85.86272	0.9
91.03934	7.2
93.07044	1.4
93.20326	0.9
95.08615	2.3
97.02885	10.7
98.15865	0.9
99.04444	1.6
101.02388	3.3
101.07164	1.0
106.14761	1.0
107.04943	1.3
108.42388	1.0
109.02911	2.9
109.10161	0.9
121.10136	1.2
125.30720	0.9
127.03969	2.8
133.05032	1.0
135.11752	1.6
145.10101	1.1
155.08585	1.0
157.11287	1.0
163.11165	2.1
185.04233	2.5
203.05249	1.8
208.89415	1.0
243.08513	3.8
283.15579	1.4
284.46289	1.0
347.09338	4.5
363.08603	1.7
365.10657	1.4
382.60736	1.1
405.13666	11.2
467.18832	15.9
497.30536	7.6
629.24304	11.8
659.35474	6.9
673.25366	1.1
723.42548	3.8
774.14075	1.4
885.47998	100.0
886.47925	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	886.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	9.8
65.31072	1.0
70.02143	3.2
74.23026	1.1
75.24381	1.1
79.05513	1.9
89.03935	2.9
91.05481	7.3
93.03407	10.9
95.04975	3.0
104.80317	1.0
105.03410	1.7
105.04475	1.1
107.04951	15.1
111.04440	51.4
117.03411	1.9
119.04946	3.0
123.04425	40.4
131.04955	1.5
133.02853	12.2
135.04411	54.7
137.02353	14.1
137.03377	2.1
137.05991	2.3
139.03897	100.0
140.04263	0.9
141.07011	1.7
142.85983	1.0
147.04410	2.6
151.03880	5.6
152.04712	1.5
153.05461	1.1
159.04474	1.5
163.03896	25.3
165.06985	4.9
169.06520	2.4
181.04953	64.8
182.57141	0.9
187.03827	4.9
188.61188	1.0
193.06561	3.5
195.08035	1.2
197.05966	2.8
203.03311	8.1
205.06528	3.4
209.04443	2.7
211.07571	2.6
213.01878	4.4
215.07051	2.6
221.05975	16.6
223.07567	3.2
223.79298	1.1
225.05499	7.3
231.02864	6.0
233.06012	4.7
237.05441	1.8
239.07042	7.1
243.06570	4.1
249.05460	21.4
250.06148	2.9
251.06970	5.5
252.04196	2.6
253.04950	7.0
255.06497	2.8
261.05414	2.6
265.05066	2.1
265.08463	1.0
266.05917	1.3
267.06522	14.0
268.07086	1.6
271.06128	6.5
277.04938	20.9
278.05673	3.0
279.06384	5.2
281.04379	7.5
285.07590	4.6
289.04633	1.9
289.07468	2.4
293.04440	1.7
294.05167	1.8
295.06009	47.8
296.06378	2.1
305.04379	7.2
307.05862	1.8
313.07010	10.9
317.04358	2.1
323.05487	73.9
324.05737	3.0
325.08450	1.9
331.08072	5.8
333.03964	2.1
334.20035	1.1
341.06522	4.4
351.05026	4.7
353.07996	2.5
357.24478	1.1
365.06766	1.9
381.07608	3.7
396.87006	1.4
399.08557	4.4
409.06982	1.2
411.07327	3.1
427.08099	11.5
445.09158	3.8
455.07587	35.3
456.07782	1.2
463.10376	2.3
473.08698	16.5
474.08768	1.4
475.10501	1.2
491.09561	1.8
493.11441	6.4
521.10730	38.1
522.11115	1.7
543.09314	1.6
625.13184	2.4
643.14166	1.4
653.12860	65.3
654.12994	4.5
671.13727	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	886.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34958	0.7
65.03939	1.1
67.05495	7.6
68.29668	0.5
68.99779	9.5
69.03420	49.7
69.07055	5.9
69.62914	2.1
70.16354	0.5
71.01350	6.3
71.04984	5.6
72.04491	0.9
73.02908	16.5
75.04438	0.6
79.05482	8.2
81.03407	63.7
81.07048	15.5
82.98828	0.7
83.01350	0.9
83.04971	13.3
83.08598	6.4
85.02893	100.0
86.03229	0.7
87.00819	38.0
87.04460	2.8
91.03947	1.5
91.05463	11.5
93.07032	13.5
95.04962	9.2
95.08593	20.7
97.02880	84.5
97.06524	1.9
97.10155	1.8
97.78033	0.8
98.03199	1.1
98.05992	0.9
99.04438	14.4
99.08072	0.7
101.06045	0.7
103.03918	6.1
105.01853	34.3
105.04565	1.0
105.07014	17.0
107.04956	3.5
107.08579	20.0
108.04472	2.1
109.02861	45.8
109.06509	2.7
109.10132	10.9
111.04433	8.0
111.08081	4.3
113.02345	1.5
115.03917	13.3
117.01841	2.2
117.03400	1.1
117.06997	2.8
119.08562	23.7
119.09415	1.3
121.06493	2.3
121.10126	16.0
123.04414	3.5
123.08040	2.5
123.11684	5.2
125.02351	2.8
125.09608	8.9
126.05524	1.8
127.03898	76.6
128.04265	1.2
128.06195	0.9
129.01820	15.9
129.05441	4.1
129.06969	3.2
131.08551	9.7
132.06549	1.0
133.04945	13.6
133.10104	19.0
135.04408	2.9
135.08029	1.4
135.11676	7.3
137.02309	1.6
137.05942	1.1
137.09589	1.5
137.13324	0.8
139.03886	3.5
142.07837	1.3
143.08531	3.1
145.02814	1.0
145.04938	17.0
145.10101	17.3
147.02866	18.8
147.04141	1.2
147.06499	0.8
147.11653	11.3
149.09610	2.4
149.13232	4.6
150.07614	1.5
151.03886	2.6
151.11121	1.4
153.01790	0.9
153.09073	1.3
157.10107	5.1
158.10945	1.1
159.02881	10.9
159.11678	14.6
161.09673	1.4
161.13234	8.4
163.03886	7.3
163.14804	6.3
165.05440	0.7
165.12714	0.8
169.05022	1.4
169.10094	0.8
171.02869	1.9
171.11633	3.1
172.12450	1.2
173.02370	1.0
173.03056	0.7
173.04416	5.5
173.13229	10.8
175.11169	3.0
175.14795	11.5
177.03963	0.9
177.05461	1.9
177.12704	0.8
177.16351	13.0
179.10559	0.7
181.04930	2.5
183.11668	1.2
185.13237	2.6
187.05991	1.6
187.14786	23.6
188.15160	0.9
189.03935	5.6
189.16354	18.8
191.14308	4.6
191.17934	5.8
193.04900	0.9
193.12238	6.3
193.15863	1.5
195.06450	0.9
197.13251	1.3
199.06013	4.4
199.14751	4.4
201.16364	22.1
203.14272	1.2
203.17929	13.9
205.04829	0.8
205.15854	26.7
205.19492	1.7
206.16100	0.9
207.17419	1.6
211.13226	2.9
213.03906	14.1
213.16338	11.5
215.05452	3.9
215.17909	8.0
217.07042	18.6
217.08957	1.2
217.15747	3.1
217.19495	2.1
219.13820	1.1
219.17403	11.3
221.15358	1.4
223.05952	26.7
223.14905	0.7
223.16991	1.8
227.17905	2.3
229.19569	1.8
230.06485	1.2
231.04971	20.4
231.17369	1.9
233.06488	2.3
233.15367	0.8
233.19093	2.5
235.16898	7.4
239.18175	1.0
241.07039	7.8
241.19521	2.7
243.17424	0.9
243.21111	1.4
247.16989	4.8
248.07639	2.1
249.06041	8.3
249.18498	2.3
253.19458	1.4
255.21045	1.7
261.06241	1.6
261.18491	2.7
266.08636	4.3
267.15860	19.7
267.21072	2.4
269.22598	0.9
273.06018	8.6
273.14828	1.2
277.05511	0.8
279.06760	0.8
281.22495	0.9
285.17032	2.7
287.05508	5.4
288.05786	3.2
295.06036	2.5
303.07019	0.8
313.07062	0.9
327.07050	2.5
341.24774	2.1
345.08051	3.4
363.09039	4.2
367.22580	1.8
377.31857	0.7
379.33582	1.3
385.23904	2.1
389.32004	6.8
391.33630	1.4
395.33197	1.4
398.12698	1.7
405.31522	0.9
407.33017	28.3
408.33615	2.1
409.34702	5.8
423.32410	3.7
425.33914	4.8
433.25674	3.9
435.32501	14.8
441.26675	1.8
441.33447	1.4
443.35208	3.1
453.33585	80.8
454.34085	3.7
459.27344	16.2
460.27228	1.2
470.33835	0.8
471.34637	4.8
477.28351	8.8
526.99243	0.8
640.30859	0.7
650.57953	0.7
683.38080	1.0
744.26025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79657	0.7
62.27929	0.7
65.03935	1.1
67.05509	5.2
68.99782	5.5
69.03423	41.6
69.07068	4.7
69.07390	0.8
69.33562	1.3
69.33971	2.8
71.01345	5.3
71.04990	3.9
73.02910	10.9
79.05501	4.4
81.03409	38.5
81.07052	12.8
83.04528	1.3
83.04976	17.4
83.08609	2.4
85.02898	80.4
87.00824	28.6
87.04450	2.6
91.05469	5.8
93.07037	11.3
95.04952	4.3
95.08012	1.5
95.08595	19.4
97.02884	68.6
97.06491	1.3
97.10160	1.7
98.03245	1.2
99.04455	9.3
101.02388	0.9
103.03938	4.2
105.01854	30.8
105.07018	13.2
107.04958	1.1
107.08579	18.8
109.02868	41.3
109.06512	1.6
109.10146	11.8
111.04428	5.4
111.08078	2.4
113.02374	0.9
115.03918	11.5
117.01823	1.4
117.07008	1.2
119.08563	19.7
121.10139	12.0
123.04417	2.6
123.08040	2.6
123.11711	4.4
125.02370	2.0
125.09626	7.2
126.05494	0.9
127.03905	62.9
128.04225	1.0
129.01825	13.2
129.05461	2.8
129.06987	1.1
130.07748	0.8
131.08543	5.5
133.04977	9.4
133.10123	15.0
134.10580	0.8
135.11685	7.2
137.05936	1.3
137.09560	1.4
139.03911	4.1
143.08562	2.4
145.04956	14.6
145.10098	11.2
147.02879	12.3
147.04166	1.4
147.11673	12.6
149.09610	1.6
149.13245	8.2
150.07559	1.2
151.03886	1.8
157.10115	3.1
159.02873	8.6
159.11671	10.8
161.13248	11.4
163.03914	2.3
163.11031	1.0
163.14821	6.7
169.04970	1.5
169.10205	1.0
171.02867	1.9
171.11664	3.2
173.04457	4.3
173.13234	8.8
175.14812	13.1
177.16371	11.0
181.04874	2.3
185.13242	3.1
187.05956	1.4
187.14816	16.8
189.03885	4.6
189.16385	17.1
191.14284	1.7
191.17995	4.5
195.06328	1.0
197.13298	0.9
199.06020	3.1
199.14839	6.3
201.16377	17.1
203.14336	1.7
203.17917	18.6
205.15881	17.6
205.19576	1.6
207.17368	1.3
213.03928	11.3
213.16356	6.3
215.05496	3.0
215.17934	8.9
217.07042	14.5
217.15916	4.6
217.19559	1.5
219.17389	3.0
221.15364	2.4
223.05977	18.0
223.16919	1.2
225.16344	1.0
227.17915	2.6
229.19432	1.3
231.04974	17.5
231.17354	2.4
233.06456	1.5
233.19035	1.8
235.16898	3.6
239.17851	1.0
241.07088	4.3
241.19495	1.2
247.16899	5.3
248.07629	2.1
249.06017	7.3
249.18471	6.3
259.16870	1.6
261.06036	1.1
261.18454	3.3
266.08722	1.3
266.57156	0.8
273.06055	6.6
287.05511	8.0
288.05817	5.3
303.07141	1.4
327.07086	2.7
327.23148	1.2
341.24734	1.4
345.08063	2.5
349.28879	1.6
357.27853	1.9
363.09113	4.3
371.29413	2.6
379.33804	1.0
389.31979	3.9
395.29358	3.2
398.12784	1.2
407.27911	1.4
407.33066	19.7
408.33295	1.1
409.34668	1.7
423.32440	3.3
425.34091	14.9
426.34018	1.3
427.03000	1.0
435.32574	14.8
436.32440	1.5
443.34830	1.8
453.33618	100.0
454.33951	6.6
471.34702	9.9
489.35272	1.5
578.11768	1.5
701.37958	1.0
719.37463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5663
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	8.6
68.61465	5.4
69.07058	10.9
69.23631	36.8
79.05480	13.1
81.07057	28.2
83.04970	12.8
91.05464	21.7
93.07050	30.2
95.04951	9.1
95.08601	17.4
101.59707	7.1
105.07018	43.4
107.08570	19.7
109.06545	9.0
109.10153	12.4
117.07012	8.2
119.08557	35.6
121.10102	14.4
131.08563	19.6
133.10112	26.2
143.08527	12.0
144.09357	8.9
147.11684	10.2
149.13229	10.7
157.10086	19.5
159.11681	100.0
161.13246	26.1
167.33563	6.1
177.12723	41.6
186.94794	6.2
189.16374	12.2
199.14854	23.3
217.15819	60.1
235.16907	24.9
697.88019	7.5
887.49719	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	887.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02368	0.8
65.03934	0.4
67.05159	0.3
67.05499	4.2
69.07054	0.9
70.55886	0.3
71.04988	0.3
72.73723	0.2
75.32649	0.2
79.05488	4.4
81.03402	0.3
81.07050	3.6
83.08582	0.4
84.76601	0.2
89.03906	8.6
89.04460	0.4
91.05470	2.7
93.07031	3.5
95.04965	1.5
95.08588	2.1
97.06492	0.4
103.05501	0.2
105.04507	0.5
105.07017	1.5
107.04949	2.9
107.08587	1.7
109.10128	1.1
115.05437	0.3
117.03363	9.2
117.06975	0.7
119.08591	1.0
121.10113	1.4
123.04402	1.1
123.11680	0.3
125.09624	0.2
129.06917	0.3
131.08565	0.9
133.10109	0.8
135.04396	19.4
135.11673	0.8
141.06912	0.4
145.02837	13.0
145.03870	0.5
145.06522	0.3
145.10136	0.5
147.11662	0.6
149.05989	0.3
153.06924	0.2
155.08629	0.2
157.06485	0.4
157.14952	0.2
158.05998	0.2
159.11621	0.4
161.05991	0.3
161.13235	0.2
163.03880	100.0
164.04231	1.3
165.05499	0.5
165.06897	0.3
167.08514	0.2
168.05663	0.2
169.06435	0.4
171.08037	0.3
173.05991	1.4
179.08566	0.3
181.06471	0.8
183.07996	0.3
183.11607	0.2
185.05954	0.4
185.13242	0.2
186.05421	0.5
187.07544	1.1
189.05455	0.3
193.06473	0.2
195.08029	0.6
197.05977	1.5
199.07529	1.9
201.05356	0.3
201.09271	0.2
211.07610	0.5
213.05370	0.4
213.09087	0.4
215.07024	0.6
219.08128	0.2
221.09604	0.4
221.63115	0.2
225.05428	0.5
225.09013	0.5
227.07008	0.3
229.08597	0.3
237.07556	0.3
243.21129	0.2
259.20724	0.3
261.22238	0.5
263.14337	0.3
281.15280	0.6
291.13834	0.4
294.89581	0.2
309.14807	1.3
327.15857	1.9
335.25824	1.9
337.14307	1.2
355.15421	0.4
383.18445	0.4
401.19592	0.5
411.17874	0.3
421.23682	0.2
423.25177	0.7
429.19083	0.6
447.19983	0.3
497.29019	2.2
609.23199	0.9
661.40460	0.3
707.41394	1.0
725.42181	0.5
869.43774	0.6
887.45129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02373	0.7
65.03915	0.2
67.05502	3.1
69.07053	0.9
69.10197	1.2
79.05482	3.5
81.03403	0.3
81.07052	2.6
83.08608	0.4
86.12991	0.2
89.03905	9.4
91.05473	2.0
93.07037	2.6
95.04957	1.3
95.08597	2.1
97.06482	0.2
97.10136	0.3
105.04502	0.5
105.07023	1.6
107.04942	2.6
107.08594	1.2
109.10166	0.8
115.05483	0.2
117.03363	9.5
117.06984	0.4
118.03715	0.2
119.08553	1.1
121.10143	1.0
123.04406	0.9
123.08036	0.2
123.11668	0.2
129.07002	0.4
131.04953	0.2
131.08539	0.8
133.10110	0.8
135.04401	20.1
135.11673	0.6
136.04755	0.3
137.05965	0.2
138.24234	0.2
139.03731	0.2
141.06956	0.3
143.08511	0.4
145.02831	13.2
145.10100	0.5
146.03157	0.3
147.11693	0.5
149.13274	0.3
151.70023	0.2
153.06953	0.3
157.06453	0.5
157.10068	0.2
159.11670	0.4
161.05980	0.6
161.13165	0.3
163.03882	100.0
164.04184	1.3
165.05452	0.7
165.06897	0.3
167.08601	0.4
169.06490	0.8
171.08052	0.4
173.05968	1.5
173.13271	0.2
175.07550	0.4
179.08522	0.3
181.06479	1.2
183.08047	0.3
185.05948	0.6
186.05444	0.4
187.07510	0.8
189.05534	0.4
193.10027	0.2
195.08031	0.6
197.05963	2.2
199.07568	2.0
201.05385	0.3
201.09106	0.4
207.08028	0.5
209.06000	0.2
211.07518	0.7
213.05429	0.7
213.09027	0.3
215.06985	0.6
217.09959	0.2
221.09692	0.3
223.07513	0.4
225.05557	0.8
225.09052	0.3
226.06172	0.2
227.06926	0.6
227.10452	0.2
235.14891	0.2
237.07518	0.5
237.12617	0.3
239.07018	0.3
259.20685	0.2
261.22101	0.6
263.14371	0.4
273.12759	0.2
281.15283	0.7
291.13846	0.4
291.19897	0.2
309.14801	2.1
311.16501	0.3
315.15933	0.2
319.13123	0.2
327.15903	2.1
329.13757	0.3
335.25766	1.6
337.14288	1.3
355.15375	0.5
365.17538	0.3
365.22565	0.2
383.18518	0.4
385.16428	0.2
395.25793	0.3
401.19684	0.4
411.17850	0.2
423.25458	0.9
429.18912	0.6
441.26361	0.2
447.20020	0.4
484.22781	0.2
497.28976	2.8
609.23248	1.1
661.40454	0.4
689.40643	0.4
707.41138	1.4
725.41980	0.5
859.46167	0.2
869.44019	0.5
887.45740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03895	1.6
65.07374	0.4
67.05495	48.1
67.06031	1.3
68.05804	0.7
69.03379	1.3
69.07059	15.1
71.04993	2.5
71.08570	0.5
73.02908	2.4
74.11014	0.5
77.03886	0.6
79.05481	28.7
81.03378	1.5
81.07045	53.0
82.07343	1.3
83.04975	3.8
83.08602	7.2
85.02895	7.2
85.06516	2.5
91.03480	0.4
91.03951	5.3
91.05466	15.8
93.07030	44.3
95.04963	4.6
95.08592	25.6
97.02870	3.7
97.06509	6.2
97.10129	1.2
97.59315	0.4
99.04377	0.9
99.08083	2.4
105.04462	1.8
105.07016	9.0
107.08578	24.1
109.06480	1.4
109.09445	0.6
109.10136	8.9
111.08060	4.0
111.11671	0.5
113.05921	0.5
113.09635	0.7
117.07013	6.4
119.07877	0.5
119.08570	5.9
121.06448	0.5
121.10128	20.2
123.08022	0.6
123.11672	3.7
125.09592	0.7
127.03853	1.3
131.08546	8.2
133.10107	6.0
135.08000	0.7
135.10648	0.5
135.11671	9.3
137.13203	0.8
139.11143	1.2
145.04973	2.2
145.10086	3.4
147.11658	3.9
149.09534	0.5
149.13234	21.8
149.14441	1.1
151.11171	0.6
151.52118	0.5
157.10136	0.5
159.10368	0.6
159.11673	9.1
161.13187	2.1
162.91536	0.5
163.03853	0.8
163.05969	1.6
163.14783	1.4
163.16869	0.5
165.12646	0.6
171.11674	0.5
173.13220	2.2
175.14803	1.1
177.12747	3.2
187.14743	1.2
195.13795	7.4
197.41248	0.5
199.14735	0.6
204.63457	0.4
213.14772	1.1
234.69351	0.4
243.20975	2.2
261.22110	9.3
262.22574	0.5
267.15796	2.9
269.17429	96.7
270.17868	2.8
317.24738	1.9
335.25748	51.8
336.26001	2.0
437.34024	1.8
443.00690	0.5
455.35349	1.2
491.45386	0.5
511.37631	1.0
515.92950	0.7
529.38806	100.0
530.39160	6.4
547.39502	2.5
722.58356	0.5
888.50079	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	891.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74082	0.5
65.03954	0.9
67.05499	0.8
68.99806	0.6
69.03439	3.6
69.26547	1.0
69.26955	2.8
73.02910	0.8
74.79466	0.6
79.05492	1.5
80.05029	1.2
81.03413	4.7
82.06600	0.9
85.02910	3.4
87.00830	2.1
89.03919	1.2
91.05479	1.2
92.05007	1.0
93.05795	0.6
93.07044	1.0
94.06562	5.3
95.04996	0.6
95.07346	1.6
96.08124	3.5
96.14542	0.5
97.02883	3.1
98.23435	1.1
99.04453	1.5
105.01874	1.5
106.06577	1.4
107.07343	1.4
108.04492	1.5
108.08103	8.6
109.02883	6.1
110.06044	0.8
110.09672	5.0
116.04980	2.4
118.06542	1.2
120.04453	3.4
120.08081	6.1
122.06030	7.6
122.06843	0.7
122.09666	2.4
124.07574	5.2
127.03889	5.1
127.55637	0.6
134.06033	2.3
136.07562	12.2
138.05499	0.6
138.09135	8.3
144.04422	5.4
145.04974	0.8
146.05991	8.8
147.70227	0.5
148.07565	4.9
150.09142	4.6
152.07077	2.2
154.25926	0.5
156.08154	0.7
159.02933	0.9
160.03928	3.3
162.05472	4.2
164.07072	1.8
166.08621	22.8
172.02419	1.4
172.03923	26.7
172.07567	0.8
173.04555	0.6
174.05505	2.7
176.07062	3.7
178.05051	0.8
182.09665	1.3
183.09250	0.7
184.09953	0.8
186.05472	1.5
187.08524	0.6
190.04976	16.4
195.09164	0.6
196.09796	0.6
197.10793	1.9
199.08672	0.8
199.12296	2.2
204.06537	46.0
205.06923	1.7
208.09856	0.6
209.10750	1.6
210.09193	1.5
210.11366	0.8
211.08678	3.4
211.12312	0.7
212.09492	2.2
222.07625	1.8
223.08803	1.3
223.12274	1.2
224.09520	2.1
225.10196	8.8
226.10951	1.3
227.11775	12.3
231.05202	1.0
235.08577	1.2
236.09425	1.4
237.10138	4.4
238.11043	2.6
239.11769	4.4
241.09755	1.9
241.13472	2.0
245.12965	0.8
249.10222	2.8
250.11021	0.9
251.08159	1.2
251.11769	4.3
252.08754	1.0
253.09669	6.8
253.13467	1.4
255.11389	3.0
263.08282	1.3
263.11810	0.6
264.08780	3.5
265.09769	2.2
266.10461	1.5
267.11197	3.6
269.12796	12.1
270.10037	0.8
271.10760	11.0
273.12372	2.7
277.09616	2.7
278.10452	1.2
279.11270	6.3
280.11954	1.0
281.09439	1.1
281.12906	2.9
283.10666	5.1
284.11481	4.7
285.12384	4.4
286.13562	1.0
287.13870	9.4
293.09241	1.0
295.10950	2.0
297.12308	9.0
298.13242	1.1
299.13931	5.8
300.11401	1.3
300.14621	0.8
301.12460	0.8
302.12949	1.1
305.09406	0.8
307.10587	2.9
309.12393	2.3
310.13739	0.8
311.10306	0.8
311.14243	1.4
312.14957	1.5
313.12537	1.3
314.13135	2.1
315.13742	2.0
316.10956	1.0
316.14481	1.7
317.15167	0.6
321.12482	1.2
323.10226	6.8
323.13715	0.7
324.11041	0.6
325.11789	14.7
326.12823	0.6
326.16498	1.8
327.13782	3.0
327.17197	1.1
328.10831	3.4
328.14661	1.7
329.15222	2.7
330.12259	1.2
330.16010	3.1
331.16806	2.4
339.13651	3.2
340.14398	1.4
341.11856	1.9
342.12305	7.6
342.15927	1.1
343.12939	5.2
344.13846	1.2
352.14590	0.8
354.12289	0.9
354.16156	1.2
355.13467	2.2
356.13922	6.2
356.17612	0.8
357.14423	21.1
357.18890	1.0
358.15375	5.3
359.16013	0.7
365.11496	1.8
366.11954	0.9
366.16217	1.2
367.13428	1.6
368.13864	0.9
369.15143	1.1
370.11630	0.8
370.15503	5.8
371.16382	2.7
372.17093	1.9
378.18100	1.2
380.14008	1.6
382.11591	3.8
383.12289	2.6
384.13266	5.9
384.17084	0.9
385.13965	3.7
386.14026	2.9
386.19229	3.5
388.16602	1.0
390.18091	2.6
394.15549	1.2
395.16129	0.6
397.14407	1.9
398.14944	21.8
399.15768	31.9
400.16449	4.1
402.18652	1.0
404.16071	6.4
410.15234	0.6
412.16370	3.1
413.16998	0.8
414.18088	5.6
416.15988	17.4
416.21204	1.1
417.16534	1.8
422.16412	1.1
428.15973	6.6
430.17563	3.2
440.16037	12.1
446.17184	8.9
447.17737	0.9
458.17072	34.1
459.17474	1.7
478.19519	1.5
490.19714	12.1
523.23724	0.8
555.16107	1.9
565.24396	1.3
567.25983	1.0
569.24182	2.9
573.17078	19.3
574.17273	1.0
575.22363	1.1
577.20099	0.9
583.25439	2.4
591.17603	1.1
593.23853	7.7
595.25879	0.9
605.19720	3.4
611.24939	100.0
612.25159	8.1
643.27423	10.9
644.27869	1.4
697.25165	0.8
773.30225	3.7
815.31201	6.0
816.31097	1.1
817.28943	1.6
841.30121	1.3
859.30188	36.4
860.30627	4.2
891.32574	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	891.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.7
67.05521	1.1
69.03428	3.8
69.38840	2.5
79.05493	1.5
81.03413	5.0
82.06579	0.7
84.40045	0.6
85.02902	3.7
87.00826	2.6
89.03936	0.8
91.05469	1.5
92.04980	0.8
93.05765	0.9
93.07048	1.7
94.06561	5.4
95.04939	0.9
95.07346	1.1
96.08121	4.1
97.02882	3.9
99.04449	1.8
103.05466	0.8
105.01858	0.9
106.06559	2.0
107.07323	1.5
108.04486	2.3
108.08105	9.5
108.08829	0.7
109.02866	6.0
110.06032	1.1
110.09666	5.9
116.04943	2.8
117.05735	0.7
118.06548	0.9
120.04490	2.6
120.08099	6.3
122.06030	9.2
122.09677	3.0
123.51112	0.6
124.07570	6.1
127.03922	5.1
132.08128	1.2
134.05983	4.0
134.39398	0.6
136.07561	12.0
138.05487	0.7
138.09134	10.0
144.04398	5.5
145.04945	1.5
146.06007	8.5
148.07545	6.0
150.09158	4.8
152.07086	2.0
159.03041	0.6
160.03899	3.7
160.07639	0.9
162.05460	4.2
163.06329	0.6
164.07095	1.8
165.51074	0.7
166.08627	26.7
166.36316	0.5
170.09709	0.7
172.03922	27.0
172.07611	1.2
174.05460	2.9
176.07027	4.8
178.08708	0.7
182.08316	0.7
182.09715	1.2
186.05490	1.1
190.04974	19.3
195.09103	0.9
197.10782	2.8
198.84616	0.7
199.08684	1.0
199.12335	2.6
204.06531	49.3
205.06911	1.0
207.09227	0.8
208.09911	0.8
209.10751	2.1
210.07628	0.7
210.09360	1.0
210.11441	0.9
211.08659	3.6
212.09439	2.6
213.04027	0.9
213.10222	1.7
214.11000	0.7
222.07701	2.4
223.08928	1.3
223.12373	1.7
224.09476	2.1
225.10216	10.6
226.10869	1.0
227.11758	13.2
229.13297	0.9
231.04964	0.7
234.11682	0.8
235.08740	0.9
236.09357	3.1
237.10217	3.7
238.10977	1.8
239.11736	4.7
240.12575	0.8
241.09755	2.2
241.13443	1.8
249.10225	2.2
250.10960	1.3
251.08049	0.8
251.11804	4.1
252.08971	0.9
253.09787	7.6
253.13426	1.1
254.10519	0.7
255.11249	2.7
257.12860	1.0
262.10944	0.7
263.08197	2.1
263.11758	1.5
264.08884	3.9
265.09692	3.7
266.10480	1.6
267.11154	3.5
269.09430	0.7
269.12796	13.5
271.10733	10.9
273.12418	3.0
277.09772	2.7
278.10672	1.2
279.11249	6.8
280.12094	1.1
281.09241	1.7
281.12906	2.2
282.09875	0.6
283.10776	7.0
284.11414	5.6
285.12277	6.1
286.13367	1.3
287.13861	12.0
293.09128	0.8
295.10858	2.4
296.11407	0.6
297.12335	9.9
299.14026	6.2
301.13025	0.8
307.10706	3.2
309.12286	1.7
310.13620	0.7
311.10699	0.8
311.14224	1.8
312.14996	2.0
313.11954	1.8
314.12878	1.9
315.13626	1.9
316.10904	1.1
316.14563	2.0
317.15280	0.8
319.10614	0.7
321.08817	1.2
321.12476	1.8
323.10211	9.1
324.10611	0.6
325.11798	14.8
326.13083	0.9
326.16620	1.4
327.13895	2.9
327.17117	1.0
328.10880	2.8
328.14456	2.1
329.15198	1.8
330.12433	1.0
330.16025	2.3
331.16791	1.4
337.11884	1.1
338.12790	0.8
339.13657	3.2
340.14749	0.8
341.11530	1.5
341.15311	0.9
342.12280	6.4
342.15897	1.1
343.13007	6.2
343.16797	0.9
344.13901	1.6
352.14508	1.2
353.15579	0.8
354.12375	1.5
354.16171	1.9
355.13449	1.9
355.17188	1.3
356.13812	6.4
356.17374	0.9
357.14447	21.8
358.15344	5.4
365.11368	3.1
366.16281	1.1
367.13229	2.0
368.13904	1.1
368.17929	0.8
369.15149	1.0
370.11563	0.9
370.15527	5.6
371.16211	2.3
372.17072	1.8
375.15738	1.9
378.18158	1.1
380.13901	1.9
382.11761	3.5
383.12292	3.4
384.13391	6.7
384.17319	1.7
385.13858	3.2
386.14438	3.7
386.18829	2.8
388.16751	1.0
390.17999	3.9
394.15546	2.1
396.17172	0.8
397.14780	1.7
398.14923	23.8
399.15729	32.7
400.16339	4.0
402.18237	2.1
404.16000	6.0
412.16510	2.7
414.18350	4.8
416.15955	18.0
417.16660	1.1
422.16061	2.1
428.15930	6.6
430.17511	4.2
440.15915	10.8
441.15918	0.9
446.17087	10.0
458.17047	36.8
459.17361	2.0
478.19650	1.7
490.19672	13.4
491.20752	0.9
522.22528	1.3
539.26202	0.8
551.23206	0.9
555.16187	1.9
565.24591	1.7
567.25842	1.1
569.23987	2.8
573.17041	20.3
574.17615	1.3
577.20313	0.9
583.25226	1.8
591.18079	1.2
593.23767	7.6
595.25397	1.0
605.19653	3.0
611.24908	100.0
612.25165	7.8
643.27649	10.5
773.30005	3.7
797.30084	0.9
815.31409	5.4
817.29376	2.1
841.28900	1.7
859.30176	35.7
860.30408	2.5
891.32837	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	891.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82638	0.4
65.03935	1.1
67.05502	1.1
69.03417	4.3
70.48385	0.7
71.04972	0.7
73.02927	0.8
77.03925	0.6
79.05489	1.8
80.05016	0.6
80.58638	0.5
81.03413	5.1
81.05807	0.5
82.06580	1.2
85.02896	4.4
87.00842	2.2
89.03947	0.6
91.04929	0.4
91.05479	1.4
92.05004	1.3
93.05787	1.2
93.07043	1.7
94.06559	6.5
95.07349	1.7
96.08122	5.5
97.02862	3.3
97.03375	0.4
97.06563	0.6
99.04452	1.4
103.05488	0.5
105.01876	1.4
105.04507	0.6
106.06547	2.3
107.07357	1.3
108.04476	3.3
108.08106	9.7
109.02876	6.5
110.06064	0.9
110.09676	7.7
116.04976	3.0
118.06523	1.2
120.04459	4.3
120.08096	8.0
120.08872	0.6
122.06018	9.3
122.06831	0.8
122.09662	2.9
123.06799	0.5
124.07585	6.0
127.03891	4.6
132.04407	0.7
134.05963	2.8
136.07558	12.8
137.08376	0.8
138.05501	0.8
138.09129	10.1
144.04430	5.1
144.08118	1.4
145.05017	1.1
146.06003	10.4
148.07570	6.5
150.09119	5.2
150.10114	0.6
152.07025	2.7
158.05997	0.8
159.02954	0.5
160.03912	3.0
160.07642	1.0
162.05481	2.9
163.03838	0.5
164.07071	2.4
166.08618	28.2
167.08923	0.6
172.03925	28.0
172.07590	1.0
173.04402	0.7
174.05479	2.7
176.07080	3.2
178.04947	0.7
178.08682	0.5
182.08279	0.7
182.09691	1.2
183.09187	0.7
184.09908	0.8
186.05478	1.2
188.07106	0.9
190.04973	19.5
191.05305	0.6
192.06682	0.6
195.09230	0.9
196.07672	0.6
196.09842	0.9
197.10696	2.6
198.09277	0.7
199.08624	0.6
199.12390	2.4
204.06540	52.5
205.06873	0.8
206.08029	0.4
208.09863	0.6
209.10736	2.3
210.09181	1.8
210.11327	0.7
211.08554	3.4
211.12265	1.0
212.09299	2.1
212.13069	0.5
213.03972	0.7
213.10284	1.3
213.13794	0.4
214.10849	0.5
221.10716	0.8
222.07521	2.4
222.11522	0.5
223.08614	1.3
223.12373	1.5
224.09477	2.0
225.06773	0.6
225.10204	11.9
226.11014	2.0
227.11771	13.1
229.13350	0.8
231.05078	0.9
233.10709	0.5
234.09276	0.8
234.11516	0.5
235.08716	1.3
236.07347	0.5
236.09372	2.8
237.10155	4.3
238.10907	2.7
239.08244	0.9
239.09290	0.5
239.11761	6.0
241.09769	2.7
241.13393	1.4
243.11209	0.7
245.12875	0.8
248.09486	0.5
249.10281	2.9
250.11015	1.4
251.08150	1.4
251.11775	5.3
252.08940	1.3
252.12570	0.6
253.09715	6.3
253.13539	1.3
254.10344	0.6
255.11176	2.3
261.10233	0.8
262.11008	0.8
263.08084	2.6
263.11899	1.2
264.08838	4.7
265.09698	2.8
265.13211	0.5
266.10547	1.9
267.11240	4.2
269.12817	13.2
271.10727	11.1
273.12433	3.6
277.09741	3.2
278.10428	0.8
279.11258	8.1
280.11963	1.4
281.09290	1.9
281.12387	2.1
283.10742	7.6
284.11472	6.8
285.12317	5.3
286.13156	1.2
287.10870	0.5
287.13889	11.5
288.14636	0.6
289.13382	0.7
291.11179	0.8
292.12021	0.5
293.09238	0.7
293.12674	1.0
294.10126	0.7
295.10800	2.8
296.11389	0.7
297.12302	11.1
298.10559	0.5
299.14044	4.9
300.11465	0.8
300.14810	0.6
301.12567	0.7
302.12955	0.7
305.09262	1.1
307.10718	3.8
309.12201	2.1
310.13577	0.5
311.10660	0.6
311.14301	1.3
312.11719	0.7
312.15097	2.3
313.12405	2.1
314.12814	3.5
315.13779	2.0
316.10843	1.3
316.14493	2.5
319.10675	0.7
321.08997	1.1
321.12531	1.3
323.10178	8.0
323.13681	0.7
324.15009	0.6
325.11771	14.7
325.15607	0.9
326.12912	1.4
326.16534	2.2
327.13516	2.5
327.17413	1.5
328.10828	3.3
328.14529	2.9
329.11588	1.2
329.15253	2.3
330.12482	1.0
330.15842	2.5
331.13351	0.6
331.16684	2.6
337.11932	1.4
339.13629	3.6
340.10852	0.7
340.14471	1.5
341.11740	1.5
341.15509	1.0
342.12451	8.1
342.16086	1.9
343.12915	6.0
343.16422	0.7
344.13962	1.5
344.17596	0.9
352.14337	1.4
353.12595	0.7
354.12454	1.3
354.16348	1.2
355.12881	2.1
356.13855	7.0
356.17465	0.6
357.14429	20.9
358.15421	6.2
364.14767	0.6
365.11154	3.1
366.12082	0.7
366.16217	1.0
367.13235	2.4
368.13852	1.1
368.17868	0.7
369.11166	0.9
369.15259	0.9
370.11490	0.5
370.15549	6.1
371.16351	2.6
372.13141	0.7
372.17361	1.1
374.14731	0.5
375.15359	0.7
376.16711	0.8
378.18024	1.3
380.14108	1.5
382.11713	4.4
383.12534	3.4
384.13077	5.8
384.17242	1.4
385.14056	3.4
386.14337	3.5
386.19162	3.7
387.15640	0.8
388.16562	1.4
390.18140	3.0
394.15616	2.0
397.13992	2.6
398.14944	24.5
399.15720	35.5
400.16385	4.2
401.13354	0.8
401.17990	0.6
402.13705	0.6
402.18381	1.3
404.15955	6.1
412.16705	4.3
414.18161	5.4
416.15991	19.1
417.16617	2.1
422.16696	2.6
428.16101	6.2
430.17599	4.9
431.18188	0.5
440.16006	12.8
441.16309	0.7
446.17032	10.4
447.17545	0.6
448.18536	1.0
458.17062	37.8
459.17459	2.4
460.18692	1.0
478.19901	1.7
490.19699	11.2
491.20074	0.9
493.22522	0.7
505.22351	0.6
520.20422	0.6
522.22455	1.4
523.23291	0.8
529.18329	0.9
541.24188	0.6
545.17645	0.7
551.22534	1.0
555.15857	2.6
565.24127	1.8
567.26471	0.6
569.24249	3.3
573.17065	17.9
574.17511	1.2
575.22314	0.7
577.20197	1.0
583.25696	2.0
587.18665	0.6
591.18304	0.9
593.23871	8.2
594.23981	0.7
595.25610	0.6
605.19806	3.2
611.24927	100.0
612.25208	7.6
625.26227	0.8
643.27643	8.6
697.24573	0.7
697.92242	0.5
771.32715	0.7
773.30200	3.4
797.30737	0.5
815.31146	6.3
816.32074	0.7
817.28766	1.8
841.29114	1.4
859.30188	36.1
860.30292	2.9
875.50903	0.5
891.32562	2.1
901.67383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.7
67.05521	1.1
69.03428	3.8
69.38840	2.5
79.05493	1.5
81.03413	5.0
82.06579	0.7
84.40045	0.6
85.02902	3.7
87.00826	2.6
89.03936	0.8
91.05469	1.5
92.04980	0.8
93.05765	0.9
93.07048	1.7
94.06561	5.4
95.04939	0.9
95.07346	1.1
96.08121	4.1
97.02882	3.9
99.04449	1.8
103.05466	0.8
105.01858	0.9
106.06559	2.0
107.07323	1.5
108.04486	2.3
108.08105	9.5
108.08829	0.7
109.02866	6.0
110.06032	1.1
110.09666	5.9
116.04943	2.8
117.05735	0.7
118.06548	0.9
120.04490	2.6
120.08099	6.3
122.06030	9.2
122.09677	3.0
123.51112	0.6
124.07570	6.1
127.03922	5.1
132.08128	1.2
134.05983	4.0
134.39398	0.6
136.07561	12.0
138.05487	0.7
138.09134	10.0
144.04398	5.5
145.04945	1.5
146.06007	8.5
148.07545	6.0
150.09158	4.8
152.07086	2.0
159.03041	0.6
160.03899	3.7
160.07639	0.9
162.05460	4.2
163.06329	0.6
164.07095	1.8
165.51074	0.7
166.08627	26.7
166.36316	0.5
170.09709	0.7
172.03922	27.0
172.07611	1.2
174.05460	2.9
176.07027	4.8
178.08708	0.7
182.08316	0.7
182.09715	1.2
186.05490	1.1
190.04974	19.3
195.09103	0.9
197.10782	2.8
198.84616	0.7
199.08684	1.0
199.12335	2.6
204.06531	49.3
205.06911	1.0
207.09227	0.8
208.09911	0.8
209.10751	2.1
210.07628	0.7
210.09360	1.0
210.11441	0.9
211.08659	3.6
212.09439	2.6
213.04027	0.9
213.10222	1.7
214.11000	0.7
222.07701	2.4
223.08928	1.3
223.12373	1.7
224.09476	2.1
225.10216	10.6
226.10869	1.0
227.11758	13.2
229.13297	0.9
231.04964	0.7
234.11682	0.8
235.08740	0.9
236.09357	3.1
237.10217	3.7
238.10977	1.8
239.11736	4.7
240.12575	0.8
241.09755	2.2
241.13443	1.8
249.10225	2.2
250.10960	1.3
251.08049	0.8
251.11804	4.1
252.08971	0.9
253.09787	7.6
253.13426	1.1
254.10519	0.7
255.11249	2.7
257.12860	1.0
262.10944	0.7
263.08197	2.1
263.11758	1.5
264.08884	3.9
265.09692	3.7
266.10480	1.6
267.11154	3.5
269.09430	0.7
269.12796	13.5
271.10733	10.9
273.12418	3.0
277.09772	2.7
278.10672	1.2
279.11249	6.8
280.12094	1.1
281.09241	1.7
281.12906	2.2
282.09875	0.6
283.10776	7.0
284.11414	5.6
285.12277	6.1
286.13367	1.3
287.13861	12.0
293.09128	0.8
295.10858	2.4
296.11407	0.6
297.12335	9.9
299.14026	6.2
301.13025	0.8
307.10706	3.2
309.12286	1.7
310.13620	0.7
311.10699	0.8
311.14224	1.8
312.14996	2.0
313.11954	1.8
314.12878	1.9
315.13626	1.9
316.10904	1.1
316.14563	2.0
317.15280	0.8
319.10614	0.7
321.08817	1.2
321.12476	1.8
323.10211	9.1
324.10611	0.6
325.11798	14.8
326.13083	0.9
326.16620	1.4
327.13895	2.9
327.17117	1.0
328.10880	2.8
328.14456	2.1
329.15198	1.8
330.12433	1.0
330.16025	2.3
331.16791	1.4
337.11884	1.1
338.12790	0.8
339.13657	3.2
340.14749	0.8
341.11530	1.5
341.15311	0.9
342.12280	6.4
342.15897	1.1
343.13007	6.2
343.16797	0.9
344.13901	1.6
352.14508	1.2
353.15579	0.8
354.12375	1.5
354.16171	1.9
355.13449	1.9
355.17188	1.3
356.13812	6.4
356.17374	0.9
357.14447	21.8
358.15344	5.4
365.11368	3.1
366.16281	1.1
367.13229	2.0
368.13904	1.1
368.17929	0.8
369.15149	1.0
370.11563	0.9
370.15527	5.6
371.16211	2.3
372.17072	1.8
375.15738	1.9
378.18158	1.1
380.13901	1.9
382.11761	3.5
383.12292	3.4
384.13391	6.7
384.17319	1.7
385.13858	3.2
386.14438	3.7
386.18829	2.8
388.16751	1.0
390.17999	3.9
394.15546	2.1
396.17172	0.8
397.14780	1.7
398.14923	23.8
399.15729	32.7
400.16339	4.0
402.18237	2.1
404.16000	6.0
412.16510	2.7
414.18350	4.8
416.15955	18.0
417.16660	1.1
422.16061	2.1
428.15930	6.6
430.17511	4.2
440.15915	10.8
441.15918	0.9
446.17087	10.0
458.17047	36.8
459.17361	2.0
478.19650	1.7
490.19672	13.4
491.20752	0.9
522.22528	1.3
539.26202	0.8
551.23206	0.9
555.16187	1.9
565.24591	1.7
567.25842	1.1
569.23987	2.8
573.17041	20.3
574.17615	1.3
577.20313	0.9
583.25226	1.8
591.18079	1.2
593.23767	7.6
595.25397	1.0
605.19653	3.0
611.24908	100.0
612.25165	7.8
643.27649	10.5
773.30005	3.7
797.30084	0.9
815.31409	5.4
817.29376	2.1
841.28900	1.7
859.30176	35.7
860.30408	2.5
891.32837	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	891.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09811	5.2
70.57903	5.6
91.70829	5.9
153.41249	4.9
159.11694	15.1
223.09393	99.2
257.15094	100.0
457.25494	97.3
616.29456	5.8
655.13525	6.1
693.26385	6.9
891.47968	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	893.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.2
67.05494	1.8
69.03429	5.4
70.23283	1.2
70.23595	1.0
71.04976	1.2
77.98405	0.8
79.05482	3.1
80.04978	0.8
81.03407	5.6
82.06537	0.9
85.02882	6.2
87.00817	2.8
89.03899	1.1
91.05466	1.6
93.05785	1.1
93.07046	3.0
94.06548	6.6
95.04977	2.2
95.07336	1.2
96.08144	6.3
97.02884	5.1
99.04445	1.9
103.05521	0.8
105.01875	1.8
106.06558	3.6
107.07323	2.9
108.04560	1.0
108.08112	17.7
109.02872	6.8
110.09657	7.8
116.04973	2.6
118.06539	2.1
120.04427	1.8
120.08092	10.1
121.08815	0.9
122.06019	15.6
122.09648	8.1
124.07597	6.7
124.64626	0.7
125.17815	0.7
127.03911	7.4
132.08073	1.3
134.06018	2.6
134.09634	1.1
136.07561	27.5
137.08342	2.4
138.05493	2.0
138.09125	13.8
144.04443	5.1
144.08066	0.9
145.02844	0.9
145.04909	1.4
146.05980	10.8
146.09630	1.2
148.07564	17.6
150.05463	1.4
150.09129	20.3
152.07053	25.6
158.05986	0.7
159.02814	0.9
160.03935	1.6
160.07602	1.6
162.05496	3.6
162.09082	0.8
164.07018	7.0
165.07822	0.9
166.08620	49.7
167.09015	0.9
172.03917	26.7
173.08339	0.7
174.05464	3.9
174.09172	1.5
176.07072	3.6
177.05461	0.7
178.08540	1.2
180.10094	1.1
182.08131	2.8
183.09016	1.0
186.05579	0.9
188.07172	1.3
190.04974	19.3
192.06577	1.3
192.10107	0.9
194.08133	1.9
196.09860	1.2
197.10748	3.1
198.11566	2.5
199.12378	1.8
204.06543	39.5
207.09222	1.1
208.09795	1.4
209.10692	1.4
210.09509	1.2
210.11469	5.4
211.12265	6.7
212.09462	1.6
212.13153	2.1
213.10220	1.1
218.08046	1.6
220.09962	1.1
221.10678	1.1
222.07774	1.1
222.11487	1.8
223.08745	1.8
223.12280	6.2
224.09428	1.1
224.12871	1.6
225.10182	8.5
225.13858	2.6
226.10934	6.3
227.11784	5.9
229.09735	1.7
229.13232	1.1
235.08652	1.5
235.12234	2.1
236.09445	2.3
236.12888	0.9
237.10219	8.7
237.13728	1.6
238.10963	9.0
239.11743	9.8
240.12437	1.8
241.09894	1.1
241.13287	1.8
243.11194	1.3
246.07611	1.7
248.09515	2.5
249.10159	10.2
250.10893	6.5
251.08191	1.5
251.08836	1.5
251.11777	18.6
252.08841	2.1
252.12517	4.2
253.09776	3.0
253.13338	5.8
255.11230	5.1
256.12122	1.6
257.12827	1.6
261.10324	1.1
262.10861	4.4
263.07990	1.6
263.08426	1.6
263.11780	21.1
264.09143	4.5
264.12369	6.2
265.09717	8.4
265.13373	9.2
266.10486	6.3
266.13391	0.8
267.11255	23.1
267.14191	1.3
268.11884	2.1
269.10178	1.1
269.12738	7.0
270.13425	1.1
271.10782	2.2
271.14413	4.6
273.12369	3.3
275.11880	0.9
276.12616	1.2
277.09644	3.8
277.13281	0.9
278.10535	5.2
279.08228	1.5
279.11243	36.8
280.11957	6.7
281.12793	10.7
282.10031	1.9
282.13452	1.8
283.10776	6.1
283.14209	2.1
284.11545	10.2
285.12289	31.2
286.12857	1.2
287.13895	3.1
289.15442	1.4
291.11249	17.7
292.08862	0.9
292.11975	5.3
293.09305	3.0
293.12808	12.9
294.13327	0.8
295.10770	4.9
295.14081	1.6
296.11652	4.7
296.14621	0.9
297.12302	50.3
298.12921	3.7
299.13867	7.7
305.09402	1.1
307.10825	4.8
307.13763	0.9
309.12265	20.3
310.12906	4.2
311.10217	4.9
311.13867	6.8
312.11005	1.2
313.11963	2.2
316.14508	1.4
319.10760	11.1
320.11230	1.1
321.12292	12.8
322.12784	1.3
323.10257	12.6
323.13647	1.2
324.10959	1.8
325.11780	17.8
326.12296	1.5
327.13339	11.9
328.14264	1.3
329.15201	1.5
330.16086	2.2
331.16751	0.9
337.11777	51.7
338.12341	2.6
338.75977	0.9
339.13342	10.8
341.11334	2.6
342.15762	1.6
343.12967	1.8
344.13751	1.7
345.18753	0.9
351.13464	1.1
355.12903	2.7
356.13855	1.0
357.14407	10.0
358.15137	2.6
359.16080	1.5
360.16565	1.2
361.18091	0.9
369.14389	6.8
370.15359	2.1
371.16101	2.9
372.16946	1.7
373.13882	1.1
373.18155	0.9
374.18674	1.0
375.15585	1.3
384.17123	1.1
385.13800	2.6
386.14453	1.2
386.18793	1.0
388.16330	1.6
390.17886	1.5
399.15564	1.4
400.16486	3.3
400.71173	0.9
401.17273	1.4
402.17981	1.1
404.19852	4.1
406.17252	1.1
412.16464	2.5
413.53860	0.9
414.18192	1.9
416.19998	1.4
418.17352	2.4
420.19131	1.7
421.19974	1.2
422.20703	1.8
428.19583	1.4
430.17633	7.1
432.19208	4.3
436.18674	1.2
442.17374	3.0
444.19186	2.1
446.20670	2.9
448.18594	22.0
449.19336	11.1
450.20215	7.5
460.18634	17.8
462.20233	4.1
463.21069	1.2
472.18552	3.4
474.20334	8.2
475.20212	0.8
476.18094	5.4
477.18768	5.8
478.19592	3.3
480.20956	1.2
490.19659	25.4
491.20041	1.7
492.21155	8.5
501.19205	0.9
506.22943	4.4
522.22412	6.1
547.18921	1.4
567.25928	1.3
573.17273	7.9
585.26813	1.3
595.25305	9.1
605.19403	1.5
607.21075	1.1
613.26477	100.0
614.26703	6.3
636.25195	1.3
645.29120	5.6
653.26013	1.4
654.25543	1.2
694.25696	2.9
697.24615	6.7
698.25269	7.1
720.23840	0.9
724.24091	1.3
725.23395	1.8
726.25464	1.2
726.83740	1.0
738.24969	17.8
739.25574	5.2
740.26361	6.7
770.27429	11.3
771.28345	5.0
775.31085	2.2
780.39575	0.8
817.32874	1.1
843.30621	1.5
861.31793	16.8
862.31586	2.3
893.33765	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.486
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	3.7
67.05754	0.3
69.03423	4.6
69.07075	1.2
70.93281	0.3
71.01355	0.8
71.04993	0.5
71.08643	0.3
71.16319	0.4
72.03880	0.3
73.02906	4.5
79.05486	2.6
81.03422	2.0
81.07047	4.7
83.01372	0.3
83.04948	0.4
83.08652	0.9
85.02905	6.8
87.04443	0.4
91.03954	4.7
91.05454	1.6
93.07034	3.9
95.04967	0.4
95.08598	2.3
97.02882	7.7
97.03488	0.5
97.06559	0.4
99.04452	1.1
101.02377	2.3
103.03957	0.6
105.04523	0.5
105.07009	0.6
107.08586	1.7
109.02902	1.2
109.10164	0.4
114.30508	0.4
115.03893	0.4
117.07031	0.6
121.10117	1.9
127.03905	1.8
129.05501	0.4
131.08566	0.6
133.10165	1.0
135.11708	0.5
145.04997	0.8
149.13213	1.7
159.11691	1.0
173.13246	0.4
185.04256	1.2
188.14600	0.3
195.17018	0.3
199.81256	0.3
203.05319	0.7
235.13110	1.1
243.08415	2.6
269.17389	0.3
291.15543	0.4
335.25668	0.5
347.09378	2.9
363.09177	0.8
365.10767	1.2
405.13675	7.5
405.18744	0.4
453.20938	10.0
463.32257	0.4
519.29303	5.6
615.26184	7.1
616.26971	0.4
637.36694	0.4
681.34467	4.7
731.43335	1.9
893.48541	100.0
894.48669	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	893.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08481	0.9
67.05490	4.6
69.03426	2.6
69.07068	3.2
69.33392	4.7
71.04984	1.8
73.02908	3.9
79.05479	4.4
81.03407	1.2
81.07048	4.4
83.08630	0.9
85.02908	4.6
91.03924	1.6
91.05480	2.0
93.07036	2.9
95.04977	1.3
95.08579	1.5
97.02880	3.9
97.10124	1.3
101.02371	1.7
105.07039	2.0
107.08582	1.6
109.10110	1.0
111.08085	0.8
117.06995	1.0
119.08617	1.5
121.10131	1.4
127.03870	1.8
131.08545	0.9
133.10164	2.0
135.11722	1.1
135.98126	0.7
164.50882	0.7
185.04286	0.9
204.50240	0.8
213.09276	1.0
243.08469	3.0
259.49405	0.8
301.09109	0.9
320.96063	0.9
349.19861	0.9
365.22971	2.5
439.19141	1.3
453.20386	1.0
513.23016	1.0
551.28058	5.9
583.30798	4.8
749.40851	1.4
807.39874	1.2
875.46484	1.1
893.52155	100.0
894.52301	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	893.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	3.8
68.11939	0.7
69.03413	1.8
69.07073	3.2
69.74646	0.7
71.04999	1.6
73.02930	2.5
79.05505	2.6
81.03442	1.3
81.07053	4.2
83.08612	1.0
85.02927	3.1
91.03979	2.8
91.05495	2.4
91.23759	0.7
93.07072	2.9
95.04969	1.3
95.08627	2.7
97.02886	3.5
101.02363	1.7
105.07050	2.2
107.08597	2.2
109.10148	1.3
119.08588	1.1
121.10188	1.1
133.10179	1.2
135.11728	1.1
149.02397	1.5
163.74310	0.8
169.73405	0.7
185.04245	0.7
187.32144	0.7
193.05000	0.9
213.03894	0.8
243.08502	2.8
249.17296	0.7
274.60434	0.8
276.39526	0.8
333.20557	1.8
356.14188	1.0
365.23270	2.8
431.93216	1.2
439.19446	1.0
443.16446	0.8
443.61230	0.9
522.03748	0.8
549.17108	0.9
551.28259	4.7
583.30670	6.0
678.16925	0.9
893.52216	100.0
894.53143	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	894.629
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25769	6.5
67.05528	10.4
69.46554	12.8
69.46948	22.5
71.40117	6.8
81.07085	14.2
83.04977	7.2
91.05461	11.9
93.07090	8.9
95.08581	25.7
101.06059	13.6
104.25259	7.3
105.07031	48.5
107.08559	20.6
109.10137	19.7
119.08566	51.2
121.10146	9.8
133.10109	22.7
147.11667	75.7
153.36179	6.2
161.13295	8.6
203.17935	100.0
216.69348	6.7
223.09431	25.2
459.27023	15.5
493.50577	7.0
702.79840	7.4
754.84705	7.1
894.51050	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	894.629
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25769	6.5
67.05528	10.4
69.46554	12.8
69.46948	22.5
71.40117	6.8
81.07085	14.2
83.04977	7.2
91.05461	11.9
93.07090	8.9
95.08581	25.7
101.06059	13.6
104.25259	7.3
105.07031	48.5
107.08559	20.6
109.10137	19.7
119.08566	51.2
121.10146	9.8
133.10109	22.7
147.11667	75.7
153.36179	6.2
161.13295	8.6
203.17935	100.0
216.69348	6.7
223.09431	25.2
459.27023	15.5
493.50577	7.0
702.79840	7.4
754.84705	7.1
894.51050	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	896.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19514	0.2
65.03936	2.3
66.82656	0.2
77.03902	0.5
79.05489	2.0
89.03908	0.6
91.05472	5.0
93.03403	3.4
93.06984	0.4
95.04963	3.5
98.22629	0.6
105.03352	0.6
105.04465	0.3
107.04949	10.0
108.04473	0.3
108.05706	0.4
109.02805	0.2
109.06466	0.9
110.03614	0.8
111.04437	10.0
117.03318	0.4
119.04926	3.5
121.02861	0.3
121.06504	2.1
122.03607	0.5
123.04380	1.0
123.14858	0.2
124.05220	0.4
125.05969	0.4
127.34423	0.2
131.04872	0.4
133.02840	4.6
134.03641	0.5
135.04402	11.7
136.03867	1.5
136.04935	0.5
137.02374	1.7
137.05920	1.5
139.03891	20.9
140.04063	0.3
141.05449	0.5
141.06938	0.3
146.06000	0.3
147.03444	0.3
147.04387	2.9
148.03902	0.6
148.07469	0.3
149.02286	0.3
149.05937	0.4
150.01794	1.0
150.03032	0.6
150.05440	0.3
151.02637	0.4
151.03806	0.7
152.03436	1.4
153.01759	0.3
153.05420	0.6
162.05450	0.4
163.02625	0.4
163.03880	4.7
164.03389	5.2
165.04237	1.2
165.05508	0.4
165.06927	1.6
166.04936	0.6
167.03368	0.7
172.03809	0.3
175.03906	1.3
176.04726	0.3
177.01784	0.7
177.05499	1.3
177.06775	0.3
181.04948	10.0
181.06375	0.5
184.07527	0.4
187.03879	1.2
188.03328	0.6
188.07057	0.6
193.06453	1.3
197.05911	0.6
202.08530	0.3
203.03348	3.3
205.04909	0.3
205.06509	2.3
211.07578	0.5
212.06943	0.7
213.01791	0.7
214.08601	0.7
221.05960	5.9
223.07516	3.8
225.05486	3.3
225.07561	0.3
228.06503	1.4
231.02834	0.6
232.09688	0.3
233.05978	3.1
236.07158	0.3
239.07051	2.0
240.06485	0.8
241.07196	0.6
242.08005	0.7
244.06020	0.7
245.06696	0.4
249.05475	7.5
250.05959	0.6
251.07028	4.5
252.04114	0.6
252.06647	0.4
253.04926	3.7
254.08099	1.0
255.06668	1.4
256.06015	5.6
257.06805	0.9
258.04047	0.6
258.07611	2.1
259.03772	0.4
260.09152	1.7
261.05460	0.8
266.05728	0.5
267.06653	3.5
268.06281	1.0
269.06525	1.2
270.07535	3.8
271.05670	0.5
271.08356	2.2
272.02515	0.4
272.05499	7.1
272.08740	0.6
273.06241	4.4
274.10669	0.4
277.04950	6.8
278.05676	0.6
279.06519	6.2
280.06015	1.3
281.04376	2.6
282.03955	0.5
282.07611	0.7
283.04703	0.4
284.05591	1.2
284.09122	0.6
285.06262	1.4
286.07077	45.5
287.07794	12.2
288.08563	2.3
294.04980	0.5
295.06000	16.6
296.05600	2.8
297.06232	3.4
298.07047	2.4
299.07889	4.0
300.05319	0.3
300.08609	6.2
301.05777	2.1
301.09402	2.9
302.10144	2.7
305.04382	1.0
312.04861	0.7
312.08575	5.5
313.06845	1.4
314.06763	0.5
314.10165	4.5
315.07324	16.8
316.08121	10.5
323.05472	13.7
324.05823	0.6
325.05832	3.1
328.07986	1.2
330.09683	100.0
331.09976	3.4
340.08139	10.3
341.06320	1.3
343.06827	5.4
358.04654	0.5
358.09164	9.8
359.09268	0.4
361.07547	0.3
376.10226	37.3
377.10696	0.9
493.11200	0.7
521.10791	2.6
550.58398	0.2
670.15924	0.7
672.17065	4.3
698.14996	0.6
716.15979	23.1
717.16187	1.2
878.20129	0.4
896.20172	49.4
897.20502	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	896.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95166	0.2
65.03931	1.9
75.94762	0.2
77.03905	0.5
79.05471	1.6
88.77274	0.2
89.03869	0.4
89.34416	0.2
91.05479	3.3
93.03410	1.4
93.06995	0.4
95.04426	0.3
95.04958	3.0
105.03391	0.4
105.04447	0.3
107.04938	8.8
108.04450	0.3
108.05740	0.4
109.06451	1.0
110.03625	0.5
111.04439	4.9
117.03310	0.4
119.04182	0.3
119.04930	2.8
121.06497	1.3
123.04350	0.8
124.05138	0.5
125.05927	0.4
129.06898	0.2
129.25664	0.2
131.04922	0.2
132.04335	0.2
133.02849	4.5
134.03603	0.4
134.06017	0.3
135.03496	0.3
135.04408	4.9
136.03882	1.4
136.05048	0.5
136.30200	0.2
137.02396	1.2
137.03290	0.4
137.05957	1.3
139.03880	6.3
141.05467	0.3
147.04391	1.9
148.03896	0.7
148.07465	0.2
149.05875	0.4
150.01807	1.2
150.03041	0.7
151.02631	0.5
151.03828	0.3
151.54793	0.3
152.03421	1.4
162.03201	0.2
162.05441	0.6
163.03886	1.5
164.03409	4.0
165.04233	1.4
165.05383	0.2
165.06937	1.4
166.04945	0.3
167.03319	1.0
172.03830	0.3
175.03847	0.8
175.92006	0.2
176.04642	0.3
176.07065	0.3
177.01816	0.7
177.05431	0.8
181.04901	0.6
183.52440	0.2
184.07449	0.6
187.03842	0.4
188.03381	0.4
188.07065	0.4
190.04987	0.2
193.06494	1.2
197.05891	0.4
199.06425	0.3
200.06915	0.3
205.06389	0.5
211.07523	0.5
212.06972	0.6
214.08640	0.4
218.48349	0.2
221.05952	4.2
223.07562	1.3
223.15338	0.2
224.45721	0.2
225.05475	2.0
226.05045	0.3
226.08626	0.2
228.06476	1.2
228.90414	0.2
232.09714	0.2
233.05968	0.5
239.06931	1.1
240.06470	0.5
241.07173	0.4
242.08202	0.5
243.02708	0.2
244.05986	0.7
244.82974	0.2
245.06796	0.4
249.05452	4.6
250.06064	0.5
251.07036	0.5
252.06480	0.5
253.04839	1.2
254.07996	1.3
255.06474	1.0
256.06049	4.7
257.06686	0.8
258.03922	0.6
258.07568	2.6
259.03931	0.3
260.09128	1.5
267.06534	2.3
268.06110	0.9
269.06824	1.0
270.07639	2.9
271.05875	0.3
271.08408	1.4
272.05521	6.6
272.08752	0.5
273.06268	3.4
277.04941	3.2
278.05521	0.6
279.06500	0.3
280.06003	1.2
281.04395	0.5
282.04150	0.5
282.07599	0.5
283.04672	0.6
284.05508	1.3
284.09167	0.7
285.06213	1.3
286.07065	43.6
287.07809	9.5
288.05374	0.5
288.08517	1.5
294.05042	0.6
295.05991	5.0
296.05533	2.2
297.06290	2.2
298.07043	1.9
299.07892	3.9
300.05301	0.5
300.08646	5.9
301.05728	1.0
301.09375	2.8
302.10120	2.8
311.04114	0.3
312.05228	0.4
312.08560	3.9
314.06564	0.5
314.10110	4.0
315.07330	15.9
316.08145	6.7
323.05402	1.2
325.05832	2.2
328.08179	0.6
330.09680	100.0
331.10004	3.7
340.08121	4.9
343.06830	4.1
358.09146	6.2
361.07922	0.6
376.10214	13.6
377.10669	0.4
413.53741	0.2
557.66272	0.3
581.67694	0.3
672.16833	1.6
698.14923	85.2
699.15393	6.4
716.16034	6.5
717.15942	0.6
878.19208	0.4
896.20178	17.9
897.20422	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03708	0.3
65.03935	2.1
66.90485	0.3
69.16464	1.2
69.16873	0.9
77.03889	0.6
79.05434	1.6
89.03905	1.8
91.05473	4.4
93.03402	1.9
95.04967	2.5
103.05378	0.4
105.04480	0.6
107.04938	3.4
109.06463	0.6
111.04435	7.4
114.01049	0.4
116.04951	0.5
117.03358	0.8
118.06490	0.6
119.04948	1.8
119.05620	0.4
120.04380	0.5
120.05696	0.5
121.02837	0.4
121.06426	1.6
123.03671	0.4
123.04424	4.7
124.07550	0.4
130.06464	0.4
131.04839	0.5
132.04396	0.9
133.02789	1.1
133.05148	0.7
134.05962	0.7
135.03259	0.7
135.04404	6.8
136.03870	1.5
136.07504	0.7
137.01469	0.5
137.02354	5.4
137.03346	0.9
137.05844	0.8
139.03885	6.8
144.04390	0.7
146.05937	0.9
147.04333	1.1
148.03914	3.2
148.07507	0.7
149.04727	0.6
149.05904	0.7
150.05479	0.4
153.05449	0.6
153.06859	0.5
159.04320	0.5
160.03911	0.4
161.04652	0.5
162.01802	0.8
162.05460	1.5
163.03860	2.4
164.07030	2.4
165.07019	2.7
167.07243	0.6
168.08131	0.4
169.06430	0.5
170.02295	2.3
172.03906	0.5
174.05527	2.2
174.06822	0.4
176.07028	1.5
177.05440	0.5
178.04915	0.6
180.06560	0.7
180.08073	0.9
181.04897	1.0
181.06425	0.6
183.08090	0.4
184.05161	0.4
185.08263	0.7
186.05443	0.7
190.04926	0.7
192.06570	0.7
193.06432	1.3
195.06564	1.0
195.08188	0.8
196.07524	1.7
197.05884	1.0
198.01723	1.5
198.09045	0.7
198.36191	0.4
201.05408	0.4
202.04970	1.3
204.06496	0.5
205.06450	0.9
206.05988	1.1
208.05899	1.7
208.07704	0.5
210.09096	1.5
211.07619	2.0
212.06990	3.7
213.07730	3.6
216.07721	1.0
220.05856	1.2
221.06032	4.7
223.05945	0.8
223.07797	0.6
224.06993	4.9
225.05452	2.3
225.07811	1.7
226.08583	3.4
228.10138	1.4
230.04454	1.1
234.05476	1.4
235.07607	0.5
236.06995	1.8
237.05443	0.6
238.08659	2.7
239.05388	1.7
239.07132	1.2
240.06520	1.9
240.10155	0.7
241.07246	4.9
242.08038	2.8
249.05455	4.3
250.06052	0.7
250.08376	0.5
251.05602	0.9
252.06509	6.0
252.10153	1.0
253.04874	1.5
253.07324	3.5
254.08095	24.9
255.06375	0.7
255.08795	1.1
256.06012	0.5
256.09665	1.5
258.07547	0.9
259.04062	0.5
262.04996	1.1
263.06943	0.6
265.04877	0.5
266.08084	2.0
267.06448	2.2
268.06107	1.7
268.09634	3.7
269.06793	11.1
270.07620	6.2
271.08282	1.0
272.05869	0.5
272.09119	1.0
277.04831	2.9
279.06085	1.6
280.06018	25.8
281.06619	2.2
282.07571	3.9
283.08365	5.9
284.09137	59.5
285.06610	1.0
285.09872	2.0
286.07022	2.3
286.10614	0.9
288.08600	0.5
294.07635	1.3
295.05936	7.7
296.06277	0.3
296.09174	7.1
297.10031	1.9
298.07129	11.7
298.10648	1.9
300.08640	6.8
302.10178	1.1
305.04260	0.9
306.07605	0.4
307.05469	0.9
308.05469	6.4
309.06549	1.5
310.06946	1.2
312.08615	100.0
313.05853	0.5
313.09225	6.8
314.10147	4.6
316.08133	0.5
321.03918	1.2
322.07272	0.6
323.05542	1.2
324.08664	2.7
326.06549	6.8
327.07404	1.3
328.08292	0.7
330.09698	3.1
335.05377	0.7
340.08124	52.9
341.08536	3.2
342.09695	4.7
344.07602	2.4
358.09177	9.4
359.09720	1.4
360.10425	2.3
473.12314	0.5
517.11285	0.8
519.11414	2.6
545.10645	0.8
554.02759	0.4
567.58344	0.4
606.14148	0.5
608.15607	0.5
624.15002	0.7
652.14752	0.7
680.13892	38.5
681.14508	6.2
682.15381	5.0
698.14960	13.6
699.15112	1.4
711.75427	0.5
834.19934	0.8
878.19116	68.8
879.19476	7.0
883.76563	0.4
896.20453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	8.5
69.71658	2.1
69.71982	0.7
72.34190	0.7
77.03953	1.0
79.05500	2.7
81.03417	0.8
89.03926	2.5
91.05474	9.8
93.03391	6.8
93.07049	1.1
95.04980	3.2
103.05447	1.1
105.03393	1.2
105.04508	0.8
107.04953	10.0
110.06078	1.3
111.04436	32.2
117.03441	1.3
117.05737	0.9
118.06544	1.0
119.04958	4.2
120.04495	1.8
121.02886	0.8
121.06544	2.4
122.06077	1.2
123.04416	6.2
124.07588	1.8
131.04950	1.5
132.04482	2.1
133.02873	3.4
133.05209	4.2
134.06094	1.2
135.03325	1.3
135.04399	36.1
136.03958	2.1
136.07617	1.4
137.02339	17.5
137.03471	2.1
137.06013	3.0
138.05481	1.3
139.03888	61.3
140.04231	0.8
145.02870	1.0
146.06018	2.7
147.04462	3.1
148.03923	7.4
148.07603	1.0
149.04742	3.7
149.05864	1.5
150.05553	2.5
151.03896	2.0
153.05528	2.1
161.04733	1.5
162.05466	5.1
163.03888	13.4
163.06183	0.9
164.03362	1.0
164.07065	10.2
165.05717	0.9
165.06929	4.0
167.07057	1.2
169.06453	1.4
170.02406	2.6
174.05560	1.8
176.07082	6.3
177.05576	1.0
177.07106	1.2
178.04984	7.7
178.06375	0.9
180.06563	1.7
180.08096	0.8
181.04942	29.1
187.03947	3.9
190.04977	5.1
192.06544	5.8
193.06429	4.3
195.06651	0.9
196.07681	1.0
197.06021	2.1
197.30444	0.7
198.01945	1.7
202.04935	4.8
203.03404	7.5
204.06610	1.4
205.06491	4.0
206.04483	4.8
208.05959	3.7
208.07767	1.2
210.09132	0.9
211.07626	2.8
212.07109	2.6
213.01918	2.1
213.07898	1.7
220.05998	5.3
221.05942	19.0
221.08011	1.0
223.07677	5.9
223.09468	0.9
224.07060	3.4
225.05475	11.4
225.07652	1.5
226.08716	2.8
227.05743	1.0
228.06544	1.3
230.04549	2.5
231.02963	2.5
233.05977	4.3
238.08774	1.7
239.07008	7.7
239.09023	0.8
240.06593	1.7
241.07230	4.8
242.08138	4.6
248.05626	3.0
249.05446	21.7
249.07874	1.4
250.06236	2.1
250.08649	1.0
251.07193	6.0
252.04227	1.9
252.06668	4.9
252.10188	0.9
253.04987	8.5
253.07405	1.9
254.08073	12.2
255.06570	4.4
255.08990	2.4
256.06149	2.3
256.09802	3.1
258.07782	2.3
258.11316	2.5
260.09271	1.6
261.05609	1.3
266.08197	2.7
267.06519	10.9
267.09158	0.9
268.06219	7.2
268.09711	3.0
269.06680	4.6
270.07590	9.9
271.05981	2.2
271.08524	2.3
277.04926	20.1
277.07767	1.1
278.05698	1.8
279.06512	7.3
280.06036	24.7
280.08987	1.3
281.04486	6.5
281.06934	2.0
282.07642	3.8
283.08487	4.1
284.09146	62.7
285.09863	3.3
286.07208	5.1
286.10803	7.0
288.08704	5.9
294.07669	3.2
295.05969	55.0
296.05997	3.9
296.09326	6.5
297.07123	2.3
297.10205	1.7
298.07098	2.5
298.10794	2.2
299.05301	1.2
300.08713	6.3
302.10226	4.9
305.04596	2.8
308.05405	6.9
309.06366	0.9
312.08624	56.6
313.09232	3.0
314.06717	6.0
314.10226	3.2
315.07452	0.9
316.08093	9.0
321.04041	1.0
322.07156	1.4
323.05453	44.1
324.08850	2.0
325.05701	0.9
326.06558	1.4
327.07458	1.2
328.08276	2.8
329.08954	2.6
330.09674	21.1
340.08127	73.5
341.08585	3.0
342.09601	6.9
343.06818	1.2
358.09167	42.8
359.09857	3.2
360.10657	1.7
376.10257	18.9
377.08685	0.9
493.11429	2.0
521.10535	8.5
526.08563	0.8
556.35272	1.0
654.16022	3.3
672.16473	1.1
698.14911	14.6
699.13733	3.0
716.15924	1.9
878.19086	100.0
879.19196	8.8
896.20160	8.8
897.19177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.0
70.02002	2.7
74.15572	1.2
76.70644	0.9
79.05497	1.4
91.05470	4.1
93.03392	3.5
95.04947	4.1
107.04935	4.5
109.05208	1.5
110.03610	1.2
111.04427	16.1
119.04912	2.6
123.04440	5.5
124.07562	8.7
125.05960	2.1
126.05486	1.8
128.71815	1.1
133.02847	1.4
133.05243	1.2
135.04404	14.4
137.02309	3.4
137.05991	2.1
138.05469	2.9
139.03888	21.9
148.03932	4.8
149.04703	3.0
152.07057	4.4
153.05478	3.2
154.05006	1.3
156.95067	1.2
162.05460	2.8
163.03873	8.0
165.06985	1.9
166.04993	1.5
168.06538	3.7
170.06015	2.8
174.05539	1.6
176.07008	2.7
181.04982	8.4
183.06836	2.9
184.07553	2.9
185.08386	1.5
185.26277	1.2
186.05559	1.9
192.06598	1.9
195.06662	1.7
196.07545	2.4
198.05490	3.4
200.07079	3.3
201.07817	1.3
202.04929	1.6
202.08595	1.9
203.03259	1.2
205.06436	2.4
210.05354	2.7
211.06241	4.0
212.07039	5.9
213.01939	1.2
213.07741	1.5
214.04987	2.6
214.08568	2.2
215.05725	1.7
216.06476	1.5
221.06021	8.2
221.22461	1.1
222.05443	4.5
223.05992	2.0
223.07791	1.7
224.07085	2.3
225.05608	3.0
225.07785	2.5
226.04915	2.6
226.08565	3.7
227.05664	2.7
228.06548	9.8
228.10207	2.7
229.07330	5.0
230.08070	5.7
232.05847	2.0
232.09650	2.3
233.05899	2.0
238.04948	3.8
239.05606	17.0
240.06514	9.5
241.07256	6.0
242.04498	2.0
242.08093	7.6
243.08926	2.1
244.05803	2.0
244.09505	2.3
245.06625	1.3
246.07625	5.9
246.11346	1.5
249.05446	8.7
250.05005	4.0
251.07359	2.0
252.06612	1.4
253.04869	1.3
253.07349	2.5
254.04431	4.6
254.08054	6.1
255.06438	5.4
255.08823	2.1
256.05994	5.2
256.09607	5.6
257.06772	8.2
258.07568	8.1
259.08151	2.7
260.09128	19.0
261.09772	1.4
264.06366	1.7
265.07300	2.2
266.04596	2.4
266.07840	1.4
267.05023	8.4
268.05981	12.5
269.06723	14.2
270.07629	6.7
271.08405	5.6
272.09140	21.1
273.09882	4.2
274.07080	5.2
274.10645	1.6
277.04904	6.2
280.06113	1.8
281.03506	1.4
282.07559	13.4
283.05453	1.6
283.08334	6.8
284.05569	5.7
284.09143	6.4
285.06299	11.4
285.09738	1.8
286.07047	9.0
286.10599	5.6
287.07684	2.4
288.08630	8.5
288.11716	1.4
289.09369	5.9
290.10254	3.0
295.06046	15.1
296.05600	6.5
296.09143	2.7
297.06223	5.6
298.07083	5.0
298.10358	1.4
299.07816	15.3
300.05270	2.3
300.08621	28.2
301.09344	6.5
302.06757	1.8
302.10135	12.0
303.07538	1.9
303.10883	3.2
304.08398	1.9
304.11710	12.4
310.07074	8.9
311.07794	11.8
312.05038	2.2
312.08517	4.3
313.06061	3.9
314.06494	14.5
314.10181	16.8
315.07477	2.2
315.10928	11.1
316.08002	3.9
316.11752	4.4
317.08801	3.1
318.09729	5.3
323.05438	9.2
327.07239	4.1
328.08096	32.3
329.08905	18.2
330.05984	2.6
330.09622	30.2
331.10339	3.9
332.11255	94.0
333.11536	2.8
340.07910	1.9
342.09689	10.8
343.10718	1.5
344.11285	2.0
345.08340	6.5
358.09238	3.6
359.09863	1.8
360.10733	92.2
361.11005	4.5
362.12018	1.2
376.10138	5.8
377.11200	2.7
378.11893	8.4
484.07428	1.3
656.17603	1.3
668.13678	7.1
669.12720	1.2
674.18445	1.7
682.15430	16.4
683.15308	2.2
700.16498	100.0
701.16736	6.4
718.17511	13.1
719.17474	1.9
872.49799	1.3
880.18988	3.6
898.21710	28.6
899.21069	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	898.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	7.9
69.03419	1.3
69.42114	0.6
70.02716	1.9
78.71828	0.7
79.05478	2.2
81.03400	2.0
85.02895	3.6
89.03917	1.5
91.05472	7.3
93.03395	11.0
95.04960	1.3
97.02932	0.7
99.04447	0.8
107.04948	13.5
108.76505	0.7
109.02862	1.4
111.04436	49.5
117.03403	1.0
119.04971	3.4
123.04439	1.5
127.03947	1.2
131.04892	1.2
135.04407	56.2
136.04729	1.0
137.02341	4.3
137.05960	3.5
139.03891	100.0
145.02829	0.9
147.04387	1.5
153.05402	1.2
159.04437	1.3
163.03899	19.9
163.05298	1.2
165.06973	3.7
169.06540	1.0
177.06996	2.1
179.72929	0.7
181.04947	62.9
182.05338	1.3
183.08147	0.8
187.03896	6.7
193.06464	5.2
195.08031	0.9
197.06029	2.2
203.03386	9.9
205.04802	1.1
205.06511	4.2
209.04353	1.0
209.06110	0.8
211.07552	2.3
213.01778	4.5
213.05257	0.7
221.05963	25.6
221.08087	1.4
223.07533	7.1
225.05466	10.8
231.02829	9.1
233.06094	3.7
234.98708	0.7
239.07059	8.5
241.04967	0.7
249.05461	33.4
250.06149	2.9
251.07104	6.0
252.04236	2.4
253.04927	9.5
254.05411	0.8
255.06538	4.4
259.03860	1.7
261.05484	2.5
266.05780	1.4
267.06516	20.8
268.07135	1.3
269.04434	0.8
271.06003	1.5
277.04950	31.5
278.05573	2.5
279.06509	8.4
281.04391	13.5
284.03152	1.7
285.07495	1.1
294.05307	1.0
295.05997	74.4
296.06421	3.1
296.09888	0.7
297.07541	3.2
305.04483	4.8
306.05066	0.7
313.07080	4.4
319.08182	1.1
323.05475	97.9
324.05823	2.4
325.06876	1.0
341.06470	10.2
365.06485	3.1
411.07257	5.1
457.11118	0.9
475.10580	0.9
485.10486	1.0
493.11148	7.3
503.09613	1.6
521.10760	67.9
522.11151	3.4
648.36975	0.8
829.52020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03629	0.7
65.03938	7.2
69.03413	1.1
69.79344	1.6
77.03911	0.9
79.05475	2.2
81.03412	0.8
83.73915	0.6
85.02895	2.5
89.03926	1.3
91.05479	6.6
93.03395	13.3
95.04958	1.4
97.02898	1.3
98.22707	0.8
107.04947	14.8
107.05667	0.9
111.04433	51.6
117.03369	0.6
119.04953	3.2
123.04433	1.2
127.03909	1.1
131.04927	1.2
135.04402	46.6
137.02335	9.4
137.05959	2.4
139.03888	89.5
140.04214	1.2
147.04410	0.6
151.03955	0.7
153.05464	2.9
153.06776	0.5
159.04390	1.0
163.03893	20.4
165.06944	4.8
175.03917	0.8
177.07062	0.7
177.29121	0.5
179.03374	0.9
181.04944	62.2
182.05318	0.6
185.02313	1.1
187.03902	5.9
193.06456	3.9
195.08080	1.0
197.05995	1.7
202.25182	0.6
203.03380	7.8
205.04872	1.0
205.06525	3.5
209.04396	1.0
211.07487	2.7
213.01807	8.6
213.05005	0.7
215.07050	0.7
217.84007	0.6
221.05951	20.0
222.06523	0.7
223.07602	4.1
225.05429	7.9
229.04851	0.6
231.02858	8.9
233.06071	3.3
233.07973	0.5
237.05376	0.6
239.07011	7.5
243.06467	1.0
249.05447	42.4
250.06084	2.2
251.07091	4.6
252.04211	2.3
253.04977	7.1
255.06483	4.2
256.07233	0.9
259.04050	0.9
261.05447	1.2
266.05704	1.4
267.06494	21.3
268.06876	0.9
269.04733	0.6
269.08081	1.2
271.05984	1.3
271.99493	0.7
273.58408	0.7
277.04929	30.6
278.05838	2.7
278.10361	0.9
279.06509	6.7
281.04388	9.5
284.03134	1.1
285.07614	1.0
290.02545	0.6
294.05215	0.8
295.05984	67.5
296.06387	2.5
297.07510	4.3
299.08987	0.8
305.04410	3.7
306.05106	0.7
313.07010	8.1
319.08008	0.8
323.05466	100.0
324.05667	3.2
325.07065	1.7
341.06561	19.9
365.06537	2.3
393.06314	0.8
411.07053	7.0
447.10742	1.0
475.10104	0.7
493.11325	6.8
503.09683	1.2
521.10742	88.8
522.11127	4.6
847.89734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.223
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88992	0.1
69.59025	0.2
69.59417	0.3
79.29811	0.1
81.03361	0.2
91.05450	0.1
101.99607	0.1
111.00766	0.1
119.04882	0.1
131.76495	0.1
147.04337	0.5
150.03059	0.3
165.01828	0.3
174.03096	0.4
185.05902	0.2
187.03813	0.2
188.04747	0.1
201.05464	1.6
202.06210	2.4
203.03302	0.2
212.04617	0.2
213.05399	0.8
224.94698	0.1
229.04884	1.5
230.05722	3.2
230.08014	0.2
241.04933	0.2
243.02841	0.4
244.03635	0.3
257.04477	1.6
258.05203	8.5
259.05670	0.2
266.18552	0.1
268.03577	1.1
269.04468	0.4
271.05899	0.9
285.03854	0.7
286.04672	28.6
287.05069	0.9
301.07019	100.0
302.07336	2.5
547.14246	0.7
591.13342	13.1
592.13831	0.7
609.15961	6.3
610.15942	0.3
651.98315	0.1
899.22491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5838
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	2.0
69.07037	2.1
79.05486	4.2
81.07047	7.1
81.28813	0.6
83.08596	0.9
87.04453	0.8
89.06010	2.1
91.05466	2.9
91.05967	0.6
93.07053	4.5
95.08611	5.8
105.06464	0.7
105.07024	7.7
107.08583	12.6
109.10156	3.9
119.08556	5.3
121.10148	3.9
123.04172	2.2
123.11694	1.2
133.08557	0.9
133.10104	2.3
135.11681	1.4
141.04149	1.0
141.05209	15.7
147.11650	6.1
149.52617	0.6
161.13228	2.1
162.17543	0.6
163.14861	2.9
176.23711	0.5
203.17789	1.2
219.94098	0.6
241.10445	100.0
242.10745	2.0
243.17227	0.8
406.36786	0.8
430.85757	0.7
461.28702	95.5
462.29266	3.7
592.51819	0.6
741.76416	0.6
811.58539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02383	0.6
67.61427	0.8
71.41115	0.7
72.15747	0.6
79.05473	2.9
85.02863	0.7
89.03917	7.4
107.04912	3.4
111.04429	1.0
117.03369	8.2
127.03939	0.6
135.04408	18.5
137.02330	1.9
138.03117	2.8
139.03867	1.8
141.82402	0.8
145.02841	13.5
149.02332	1.1
153.05460	66.9
154.05821	0.9
163.03894	100.0
164.04207	1.1
173.02408	1.1
175.18475	0.8
191.03383	59.7
192.03741	1.0
237.05438	0.8
265.04935	1.7
267.06580	1.8
283.05991	13.7
306.27353	0.8
311.05469	9.5
312.06271	11.4
325.07153	2.0
343.08105	38.6
344.08286	1.1
371.07605	5.0
473.08624	3.0
474.09143	1.4
491.09702	22.9
492.10153	2.7
523.12177	2.4
551.03857	0.7
653.12720	1.3
682.35486	0.8
915.20642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22043	1.6
77.03934	0.3
79.05483	1.4
81.03405	0.6
89.03903	7.7
91.05486	1.3
94.01466	0.3
95.04951	0.6
95.08598	0.4
105.06993	0.4
107.04952	2.9
107.08584	0.5
109.02850	0.4
111.04427	0.8
117.03369	8.3
119.08543	0.5
121.02869	1.0
121.10104	0.3
123.04417	0.9
127.03895	0.5
135.04405	15.3
137.02304	1.5
138.03101	1.4
138.18024	0.4
139.03893	1.1
144.57713	0.3
145.02840	13.0
145.10033	0.5
149.02322	0.5
153.05458	19.1
154.05811	0.4
161.13284	0.4
163.03888	100.0
164.04239	1.4
166.06252	0.4
179.03545	0.3
181.05069	0.4
189.16353	0.5
191.03375	26.1
192.03728	0.4
193.14278	0.3
246.67415	0.3
255.06599	0.6
265.04996	1.2
267.06534	1.4
283.05981	21.3
284.06470	0.5
293.04419	0.8
295.05905	0.4
300.10168	0.3
301.11963	0.3
311.05466	19.9
312.06213	9.4
312.09747	0.5
325.06989	1.1
343.08102	5.1
361.29431	0.4
371.07553	8.9
407.32751	0.4
408.33636	0.7
429.62222	0.3
453.33496	0.8
454.33945	0.8
455.07526	0.6
473.08661	6.3
491.09698	39.6
492.10257	2.5
523.12402	2.4
644.74835	0.4
653.12482	0.8
665.72986	0.4
713.69543	0.3
851.18219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45169	0.7
63.04039	0.7
65.03928	6.2
70.54867	0.7
70.55180	0.7
71.52797	0.6
72.83682	0.7
74.76669	0.7
79.05492	2.8
81.07058	0.8
85.02906	0.9
89.03955	1.1
91.05466	5.6
93.03403	4.7
95.04972	1.2
95.77161	0.8
105.03406	1.0
107.04943	7.8
111.04431	23.1
111.05168	1.4
117.03401	1.5
119.04955	2.3
121.02853	1.6
122.03623	1.8
123.04420	21.8
125.02330	4.5
131.05019	0.9
133.02846	4.1
134.03616	1.0
135.04401	25.7
137.02338	15.5
137.03366	1.7
137.05954	12.3
139.03886	40.1
141.06924	3.7
147.04401	3.7
149.02362	2.1
150.03133	6.2
151.03905	2.9
153.05498	2.5
157.02812	1.2
159.04524	1.0
163.03891	15.2
163.05138	1.2
165.05479	30.4
165.06989	3.5
166.06248	9.3
167.08621	1.1
169.06445	7.2
175.03889	1.5
177.05484	0.9
177.06943	1.1
180.36583	0.8
181.04955	23.5
181.06364	1.5
181.76216	0.8
183.08064	0.9
187.03951	2.9
191.03435	2.3
193.06496	3.1
195.08043	1.0
197.05954	6.9
203.03297	4.1
205.06523	2.0
209.04308	1.0
209.06091	1.4
210.06845	1.0
211.07622	2.0
213.01886	2.0
215.06987	5.7
221.05930	11.1
222.06680	1.0
223.07573	3.4
225.05528	4.3
231.02907	2.0
233.06012	2.0
236.91315	0.8
237.05389	1.7
239.07008	7.8
243.06572	3.7
245.04372	1.3
249.05432	16.6
250.06078	1.3
251.07117	2.5
252.04182	1.2
253.04926	4.4
255.06580	2.5
261.05573	1.7
263.18259	0.8
265.05081	2.3
266.05780	1.3
267.06497	11.3
268.07169	3.7
271.05954	24.8
277.04932	12.2
278.05655	1.4
279.06567	2.2
281.04486	2.9
284.03214	0.9
285.07578	10.1
289.04865	1.5
291.06570	1.3
293.04440	1.5
294.05261	1.8
295.02710	1.5
295.05981	25.3
296.06500	1.3
303.08606	4.4
305.04501	2.9
307.06430	1.0
313.07022	20.3
317.04425	1.0
318.05161	1.0
321.03845	1.0
323.05463	21.7
324.05988	0.8
327.08688	3.3
331.08063	3.7
333.03934	1.0
341.06506	3.7
351.04828	3.6
353.08054	3.0
357.07544	1.0
371.08942	1.4
381.07642	1.5
383.08273	0.9
399.08527	4.1
401.10413	1.0
409.07162	1.5
411.07852	1.0
413.06683	0.9
427.08118	13.7
428.08331	1.0
429.09918	1.5
445.09445	1.5
455.07596	23.6
456.07935	1.7
457.09344	1.5
459.10611	2.0
473.08508	4.8
477.11520	1.2
487.10098	7.1
488.10910	0.9
505.11633	1.4
521.10779	4.3
543.09198	0.9
607.13116	1.1
625.13312	2.8
653.12805	100.0
654.13208	6.3
685.15692	3.7
851.18622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	34.2
71.05013	4.1
71.42386	3.3
73.02918	8.1
75.97916	2.6
79.05482	3.3
81.03409	22.9
81.07060	5.8
85.02898	100.0
87.00822	44.3
91.03938	3.4
93.07015	4.8
93.72385	3.1
95.08580	15.9
97.02885	44.8
99.04449	12.4
103.81169	3.3
105.01859	80.1
105.06992	4.7
107.08611	16.6
109.02875	40.5
109.10156	6.3
119.08591	8.7
121.10158	12.5
127.03909	87.0
133.10150	10.9
135.11667	4.9
145.04958	35.7
145.10152	5.6
147.02856	3.5
147.11667	7.0
159.02853	16.9
159.11674	3.8
161.13252	7.0
163.11223	6.5
163.14784	6.1
175.14850	9.9
177.16409	10.1
187.14772	8.9
189.16380	22.9
191.17813	3.3
201.16487	4.7
203.17982	18.4
205.15872	42.3
207.17477	10.4
213.03929	9.5
231.04956	43.0
247.16937	3.8
249.06055	25.3
253.07077	3.1
375.09222	3.7
391.33737	5.7
393.10345	4.5
409.34604	32.7
427.35794	13.7
428.13879	11.7
437.34109	13.8
718.84045	3.3
832.48596	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	900.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81459	1.7
67.05483	3.4
68.99786	3.4
69.03055	3.2
69.03422	33.9
69.07069	2.4
69.68599	6.4
71.04981	3.3
71.88324	1.7
73.02901	7.1
78.53748	1.8
78.84260	1.9
79.05479	2.0
80.19697	1.7
81.03413	27.4
81.07048	7.1
85.02898	100.0
87.00819	40.4
91.03940	1.8
93.07039	6.0
95.08591	13.3
97.02885	41.7
98.22750	3.9
99.04467	13.2
105.01859	73.2
105.07014	6.5
107.08581	14.8
109.02881	35.1
109.10139	9.5
117.01841	2.7
119.08567	15.3
121.10146	12.9
127.03906	76.3
127.04869	3.7
133.10121	14.1
135.11690	5.3
139.73659	1.6
145.04944	34.0
145.10117	7.4
147.02956	2.0
147.11668	8.8
149.13255	6.1
159.02885	14.8
159.11679	8.0
161.13298	8.6
163.11191	2.5
163.14807	6.8
175.14766	8.3
177.16364	9.4
187.14818	15.2
189.03867	2.4
189.16331	17.9
191.17905	5.8
201.16380	6.5
203.17928	35.9
205.15904	17.7
213.03922	8.0
213.16391	3.2
215.17996	2.3
223.16937	3.2
231.04965	42.7
249.06076	20.2
249.18539	4.7
253.07002	3.6
271.08051	3.5
309.60016	2.2
357.08170	3.0
378.79736	2.3
391.33679	4.2
393.10178	3.5
409.34634	36.1
410.34515	2.7
427.35660	7.9
428.14038	13.1
437.34100	21.7
455.35095	9.8
529.47992	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	3.1
68.99787	3.9
69.03058	3.0
69.03421	39.0
69.07072	5.8
71.04975	5.3
73.02905	7.0
79.05475	6.5
81.03412	31.2
81.07043	7.0
83.01340	2.9
83.08603	2.2
85.02899	100.0
87.00828	46.8
87.04474	2.5
91.03909	2.7
91.05464	4.4
93.07034	9.6
95.08606	26.5
97.02885	45.8
99.04444	16.4
105.01863	76.8
105.07024	8.6
106.02227	1.5
107.08586	28.4
109.02868	39.0
109.10155	10.7
113.60502	1.9
117.01833	2.0
119.08562	18.8
121.10147	19.5
123.02922	1.7
123.11704	2.9
127.03906	93.2
129.01846	4.3
131.08563	2.0
133.10124	19.7
135.11690	7.0
135.79047	1.5
145.04941	34.9
145.10101	11.2
147.02773	2.5
147.11668	11.5
149.13283	4.6
159.02873	15.6
159.11681	9.3
161.13237	10.7
163.11159	8.9
163.14809	6.3
173.13249	1.9
175.14766	10.9
177.16357	15.7
187.14809	22.2
189.03934	2.2
189.16371	25.2
191.17957	6.0
201.16414	5.5
203.17935	37.3
205.15865	69.4
205.19542	3.7
207.17470	9.0
213.03838	10.0
213.16342	2.7
215.17943	2.2
219.17422	2.2
223.16936	4.8
229.19336	1.8
231.04979	41.3
247.16704	2.0
249.06047	22.6
249.18370	12.9
253.07080	3.4
271.08194	4.2
285.25687	2.7
295.24152	4.5
313.25211	3.4
357.08057	1.9
375.09048	2.6
391.33569	3.8
393.10114	4.1
409.34628	38.3
411.11469	2.0
427.35605	10.7
428.13986	12.6
437.34140	24.0
448.53314	1.8
455.35120	15.9
502.58640	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.5
67.05495	29.7
69.03420	1.3
69.07057	7.8
71.04968	0.9
73.06517	0.9
77.03910	0.9
79.05482	34.2
81.03422	1.9
81.07050	31.5
83.04966	4.0
83.08615	4.4
85.02889	2.3
85.06519	1.9
91.03924	1.7
91.05471	24.7
93.07031	37.7
95.04952	8.8
95.08595	19.7
97.02879	2.1
97.06516	2.2
97.10171	1.7
98.19823	0.9
105.04482	2.4
105.07019	17.5
107.04922	1.8
107.08581	12.3
109.06487	2.6
109.10136	6.9
117.07008	3.8
119.08567	12.9
121.06481	1.3
121.10148	9.7
123.08007	1.6
123.11690	1.5
129.07001	5.8
131.08554	3.6
133.10112	6.8
135.11671	5.7
143.08540	2.9
145.04932	1.1
145.10117	6.7
147.11673	14.2
149.13229	1.9
156.09389	0.9
159.11646	2.6
161.09592	1.3
161.13229	4.8
171.11656	9.2
173.13246	1.7
187.14699	1.0
189.12738	1.9
207.13760	9.0
243.20972	1.7
253.10547	1.0
261.22180	4.0
281.17441	26.3
293.84641	0.8
312.78802	0.9
317.24573	1.3
323.40579	0.9
335.25748	38.7
336.26056	1.1
397.11325	0.9
523.37964	1.1
541.38806	100.0
542.38879	4.6
559.40082	2.3
602.28979	1.0
677.28900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
66.67979	0.1
67.11542	0.1
68.99766	0.2
69.57949	0.3
81.03368	0.3
109.02851	0.1
111.91841	0.1
115.05446	0.1
120.48317	0.1
121.02817	0.2
129.06949	0.1
133.06493	0.1
137.02351	1.5
137.03386	0.3
141.06972	0.1
143.04805	0.2
147.04369	0.1
149.02267	0.4
157.06429	0.3
161.05875	0.2
163.03851	0.4
165.01741	0.2
171.04373	0.2
175.03864	0.1
175.07350	0.1
177.01810	0.1
177.11008	0.1
185.05937	0.6
189.05421	0.3
193.04932	0.1
195.04347	0.1
199.03748	0.1
203.06982	0.1
213.03539	0.1
213.05441	1.5
216.04163	0.1
231.06480	0.6
241.04901	0.9
242.05690	0.1
259.05923	0.3
264.05103	0.1
269.04388	0.4
287.05447	100.0
288.05783	2.8
303.04816	0.1
329.06616	0.1
351.86032	0.1
357.09039	0.1
414.56726	0.1
491.11810	0.1
533.12726	0.6
577.11786	11.3
578.12103	0.6
587.73224	0.1
611.13892	4.8
612.14142	0.2
901.03986	0.1
901.20050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	40.3
69.03434	1.6
69.07075	10.1
69.92570	2.1
69.92912	2.7
75.70153	1.3
79.05484	29.8
79.24013	1.5
81.03400	2.3
81.07043	36.5
83.04993	3.0
83.08602	7.5
85.02895	3.5
85.06553	1.8
91.05467	14.3
93.07035	41.2
95.04961	7.2
95.08591	42.1
97.02877	5.6
97.06541	3.1
97.10188	1.7
98.22688	1.7
99.04451	1.7
105.07031	10.5
105.07637	1.7
107.04938	3.5
107.08578	28.6
109.06502	2.6
109.10126	10.9
117.07010	9.0
119.08555	11.9
121.06487	3.4
121.10122	16.7
123.11725	2.9
125.05981	1.9
131.08580	4.7
133.10107	3.4
135.08076	1.5
135.11665	33.2
137.13191	2.3
143.08548	1.5
145.10110	22.7
147.11653	2.5
149.13263	2.4
159.11670	2.7
163.11162	40.0
163.14815	2.1
181.12241	5.5
227.12743	47.1
243.21075	2.8
261.22107	8.7
283.15353	55.5
284.15668	2.6
317.24683	2.2
328.28772	1.5
335.25760	98.6
336.26151	4.0
458.32043	1.7
543.36755	100.0
544.36792	4.6
586.66504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.0
67.05499	35.7
67.15247	0.7
69.03416	2.6
69.07059	9.7
71.01323	0.8
71.04988	4.4
73.02915	3.6
75.98336	0.7
79.05483	30.8
79.05947	1.5
81.03409	8.8
81.07047	43.0
83.01321	6.2
83.04971	9.9
83.08611	13.1
85.02890	19.0
85.06522	1.9
91.03942	11.3
91.05467	20.2
93.07032	38.6
95.04953	9.4
95.08593	28.3
97.02877	9.5
97.06517	3.1
97.10162	4.9
99.04446	2.7
105.04475	1.5
105.07017	14.2
107.04940	6.3
107.08580	24.0
109.02834	0.9
109.06504	6.4
109.10145	13.1
111.04420	1.8
111.08047	2.4
111.37861	0.7
117.07008	9.4
119.08562	16.3
121.06466	3.6
121.10131	16.4
123.08086	6.3
123.11714	4.4
125.05972	1.5
125.09621	3.7
127.03883	3.8
129.06972	2.6
131.08546	9.6
133.10112	6.6
135.08029	1.8
135.11679	16.2
137.09599	1.3
137.13226	1.5
139.07526	0.9
143.08540	2.4
145.04945	4.6
145.10109	16.8
147.07983	1.8
147.11679	4.4
149.09550	1.3
149.13222	5.9
151.11072	1.4
153.12714	1.8
155.08528	1.6
159.11703	5.0
161.13222	4.5
163.05988	5.3
163.11156	20.9
163.14757	3.6
169.10159	1.1
171.11746	1.3
173.09639	2.1
173.11896	0.9
173.13202	5.0
175.11079	0.8
175.14833	1.3
181.10132	0.7
181.12189	2.9
183.11629	0.9
187.14752	2.2
189.11172	0.9
189.16309	0.7
191.10634	3.2
191.14310	1.0
197.13243	0.9
199.14928	1.0
209.11618	6.0
209.15051	1.0
211.13284	1.5
227.12762	11.4
241.19510	1.0
243.21098	5.3
250.12357	1.1
259.20596	1.2
261.22131	13.2
267.15872	2.7
283.15363	100.0
284.15686	1.6
285.16589	0.9
299.23709	4.5
312.20886	0.8
315.23447	0.8
317.24731	4.4
333.24182	2.0
335.25763	69.4
336.26068	1.9
385.24664	0.9
415.29572	1.0
433.31061	2.9
451.31808	2.8
469.33099	2.7
487.34283	1.6
507.34546	0.9
515.36847	1.3
525.35718	7.2
543.36768	60.5
544.36652	2.4
561.37781	4.2
640.39667	0.8
706.26349	1.0
920.05542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.51
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03898	2.1
67.05499	48.6
69.03419	3.8
69.07061	11.1
71.01304	1.7
71.04981	4.8
73.02908	4.5
77.03868	1.4
79.05486	42.9
80.05765	0.7
81.03412	10.1
81.07050	51.6
83.01332	7.7
83.04979	11.9
83.08612	13.3
85.02895	21.8
85.06499	2.0
91.03955	10.4
91.05470	25.3
93.07034	51.1
94.07343	0.8
95.04968	10.4
95.08596	34.2
96.04445	1.1
97.02888	12.2
97.06520	5.3
97.10141	4.9
99.04455	3.2
103.05448	0.9
105.04465	2.6
105.06356	1.2
105.07018	18.0
107.04933	6.5
107.08585	29.4
109.02827	1.6
109.06520	6.9
109.09425	1.1
109.10143	17.4
111.04387	1.6
111.08028	2.4
111.11708	1.1
115.03862	0.8
115.05409	1.2
117.06301	0.7
117.07014	10.3
119.07752	0.9
119.08566	16.3
121.06497	3.1
121.09272	1.2
121.10132	20.7
122.38381	0.6
123.08033	7.3
123.11704	4.0
125.05891	1.8
125.09573	2.5
127.03906	4.7
129.06958	3.1
130.07693	1.0
131.07661	0.9
131.08556	12.6
133.06479	1.0
133.09172	0.8
133.10101	9.3
135.07999	2.7
135.11684	19.3
137.09547	1.6
137.13203	1.9
143.08507	2.0
145.04965	5.7
145.06429	1.2
145.10109	19.5
147.08031	2.0
147.11694	5.2
149.13210	6.7
151.11096	0.8
153.12744	3.4
155.08516	1.5
157.10159	0.7
159.11662	4.7
161.13245	3.8
163.06003	5.1
163.07227	1.0
163.11174	20.7
163.14792	4.3
165.12601	0.9
169.10114	0.7
171.11671	1.4
173.09616	2.7
173.13228	5.9
175.14774	2.0
177.16367	1.2
180.08638	0.7
181.12283	3.2
183.11623	0.9
185.13342	0.7
187.14822	3.2
189.11189	2.0
191.10593	3.0
193.12213	1.9
199.14911	0.9
201.16219	0.9
209.11693	6.1
209.13498	0.9
211.13242	1.2
227.12753	12.9
229.14075	0.7
233.22585	0.8
241.19386	1.1
243.21063	6.1
259.20544	2.4
260.72324	0.7
261.22113	20.6
267.15900	2.2
273.22131	1.1
277.21646	0.9
281.22687	0.7
283.15366	100.0
284.15741	2.7
285.16946	1.2
299.23651	6.0
317.24646	6.1
333.24200	3.0
335.25763	93.6
336.26013	3.2
349.93591	0.6
396.50546	0.7
433.30930	2.2
451.32114	4.6
469.33191	3.1
487.34097	1.9
515.37341	1.5
525.35571	6.8
526.35968	1.0
543.36761	99.1
544.29779	0.8
544.36914	5.0
561.37823	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	904.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03901	1.9
65.45954	0.4
66.49566	0.4
67.05495	37.1
69.03418	4.1
69.07059	10.4
71.04988	3.1
73.02910	2.7
79.05480	30.5
81.03406	36.7
81.07046	40.6
82.03731	0.5
82.07343	0.4
83.04969	8.6
83.08138	0.9
83.08604	15.3
85.02892	21.2
85.06537	2.0
91.03947	5.5
91.05467	26.2
93.07030	31.1
95.04346	0.6
95.04955	16.4
95.08590	24.3
97.02872	6.1
97.06515	3.6
97.10149	3.6
98.23443	1.0
99.04447	0.8
99.08041	1.4
101.05967	0.5
103.05420	0.4
105.04464	1.4
105.07015	17.8
105.07722	0.8
107.04939	4.0
107.08582	15.9
109.06482	2.7
109.09431	0.6
109.10133	10.6
111.04401	1.8
111.07437	0.5
111.08070	5.5
113.05967	1.5
115.05403	0.7
117.06970	3.9
119.07755	0.8
119.08561	14.8
120.97855	0.4
121.06474	1.0
121.10120	15.7
123.08064	2.2
123.11684	3.9
125.09566	1.4
127.03919	2.1
127.07559	0.5
128.06107	0.4
129.05473	0.6
129.06969	7.0
131.08553	12.7
133.06471	2.2
133.10112	9.6
135.04430	0.7
135.11661	7.2
137.09547	1.6
137.13228	0.9
139.11055	0.5
141.06967	0.6
142.07741	1.5
145.02867	0.6
145.04918	2.3
145.10101	6.0
147.07980	1.8
147.10588	0.7
147.11673	10.6
149.09601	3.9
149.13248	3.4
151.11182	0.6
157.10101	8.8
159.11682	3.2
161.13252	2.0
163.03906	3.0
163.05977	2.4
163.11150	1.0
163.14726	1.4
164.04175	1.1
165.12720	2.4
171.11618	0.8
173.13217	3.4
175.11174	7.1
175.14790	0.9
177.16248	0.6
185.13252	0.9
187.14799	1.2
189.11217	0.5
193.12212	25.7
194.12518	0.6
197.13139	0.6
199.14670	0.5
201.16371	0.5
211.13255	33.6
212.13582	0.4
213.16556	0.4
221.13376	0.6
227.12798	0.8
228.85490	0.5
229.14110	0.6
243.21043	2.5
261.22107	8.5
267.15894	9.9
279.23203	0.6
285.16925	44.7
294.23325	0.5
299.23666	0.6
301.25156	0.8
317.24658	1.9
333.24075	0.6
335.25760	65.9
336.26096	1.6
387.50735	0.5
435.32495	1.9
453.33395	2.1
471.34631	0.7
509.36523	1.0
527.29236	0.6
527.37244	13.4
545.38293	100.0
546.38708	4.5
563.39569	0.5
689.41791	0.7
765.39630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.4
65.84756	0.6
67.05497	50.0
69.03424	4.8
69.07059	12.3
71.04983	4.2
71.90387	0.7
73.02914	3.5
77.03921	1.3
79.05482	39.2
81.03408	52.4
81.07047	48.0
83.04968	13.9
83.08609	23.4
85.02893	32.2
85.06532	3.2
87.04446	1.0
89.03898	1.4
91.03941	7.8
91.05469	33.4
93.07034	40.0
95.04960	25.8
95.08595	30.6
97.02883	9.2
97.06506	4.1
97.10163	5.0
98.22940	5.8
99.04466	1.0
99.08056	1.6
101.02399	0.8
105.04519	1.4
105.07019	23.1
105.22875	0.7
107.04961	6.9
107.08580	19.8
109.06498	4.4
109.10146	11.1
111.04398	1.8
111.08073	10.1
113.05998	1.4
115.03856	0.8
115.05426	1.6
117.03386	2.5
117.06984	5.1
119.08562	22.0
121.06556	1.6
121.10130	17.3
123.08031	1.7
123.11691	5.9
125.09597	1.8
127.03899	1.6
129.06984	8.2
131.08554	15.5
133.06508	2.0
133.10120	13.7
135.04395	5.2
135.11668	6.9
137.09615	1.6
142.07762	2.5
143.08565	1.2
145.02843	3.3
145.04974	3.3
145.10114	7.0
147.08064	2.9
147.11658	16.2
149.09618	5.2
149.13222	4.2
151.11195	1.0
157.10106	12.1
159.11694	3.7
161.13242	3.0
163.03891	19.9
163.06055	3.5
163.11221	1.8
163.14842	1.9
165.12735	2.8
171.11707	1.1
173.13303	2.8
175.11180	11.2
175.14740	0.9
187.14818	1.6
193.12218	41.0
211.13264	60.9
223.10878	0.7
227.12846	0.7
243.21123	3.1
261.22125	10.2
267.15857	12.4
285.16928	69.9
301.25427	1.1
317.24698	2.5
335.25763	60.0
336.26062	1.4
435.32449	2.5
453.33640	3.0
471.34406	0.8
527.37256	14.1
545.38306	100.0
546.38770	3.1
647.77618	0.8
773.71027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.486
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80470	0.4
67.05502	3.3
69.03417	3.7
69.07054	1.0
71.04988	0.5
73.02906	4.0
79.05470	3.6
81.03419	1.8
81.07048	2.8
83.05000	0.5
85.02895	5.9
87.04505	0.6
91.03955	3.3
91.05481	1.9
91.40009	0.4
93.07053	2.9
95.04969	0.7
95.08602	2.4
97.02882	5.6
99.04485	0.6
101.02383	1.7
105.07054	1.3
107.08588	0.9
109.02892	1.0
109.10163	0.9
115.03902	0.4
119.08590	0.8
121.10191	1.3
127.03928	1.5
129.06987	0.6
135.11763	0.5
140.06638	0.4
147.11746	0.7
163.03831	0.6
176.14430	0.5
185.04181	0.9
189.12639	0.4
203.05266	0.8
243.08307	2.3
247.13133	1.0
347.09326	2.0
365.10443	0.8
385.52457	0.4
405.13626	3.5
465.20935	3.5
519.29211	4.5
519.35327	0.5
627.26001	2.5
681.34467	5.4
682.33234	0.6
743.43225	1.5
905.48499	100.0
906.48804	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	906.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87102	0.1
69.03413	0.1
70.45587	0.2
72.75430	0.1
73.40923	0.1
77.03925	0.3
79.05484	0.9
81.03409	0.1
85.02893	1.1
85.06537	1.7
91.05476	0.1
95.04956	2.0
95.05529	0.1
97.02889	0.3
97.16714	0.1
105.04502	0.8
107.04943	100.0
108.05273	1.4
127.03904	0.4
137.06039	0.1
139.03946	0.1
145.04968	0.7
145.08583	1.6
153.77013	0.1
163.05983	0.3
181.04883	0.1
191.09137	0.9
213.09067	2.1
267.08731	0.2
269.10266	0.1
295.05963	0.1
297.13290	0.6
321.86307	0.1
323.05392	0.2
325.11124	0.5
460.80252	0.1
729.15747	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	907.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.3
69.03419	3.6
69.07085	0.7
69.14970	1.9
71.01379	0.5
71.04998	0.8
73.02907	3.8
79.05479	2.6
81.03416	2.0
81.07045	1.9
83.01374	0.4
83.04997	0.5
85.02895	6.4
87.04488	0.4
91.03944	3.6
91.04418	0.3
91.05470	1.7
93.07047	1.8
95.04969	0.5
95.08595	1.8
97.02882	5.8
99.04466	0.6
101.02379	1.4
105.07052	0.7
107.08621	1.0
109.02892	0.8
109.10184	1.0
115.03951	0.6
119.08603	0.5
121.10188	0.9
127.03885	1.7
131.08563	0.7
133.10164	0.3
135.11732	1.2
145.10155	0.8
149.13225	0.3
163.11197	1.0
185.04211	0.7
203.05345	0.7
209.12015	0.4
243.08385	2.0
249.11006	0.4
254.12134	0.3
310.74854	0.3
335.25815	0.6
347.09467	2.0
363.09171	0.6
365.10739	0.8
405.13708	4.5
467.18814	3.5
519.29236	4.1
629.24133	2.3
681.34442	5.2
745.40784	1.3
907.46472	100.0
908.46960	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	907.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.2
69.03422	4.8
69.07071	0.7
69.33471	1.0
69.33881	0.8
71.01338	0.3
71.05041	0.4
73.02910	4.5
79.05473	1.7
81.03414	3.0
81.07058	2.5
83.01338	0.4
83.08619	0.5
85.02895	6.4
87.04440	0.6
88.00133	0.4
91.03944	4.4
91.05457	1.8
91.10292	0.3
93.07002	2.5
95.04961	0.9
95.08615	1.6
96.65477	0.4
97.02879	7.8
97.06524	0.7
99.04459	1.6
101.02384	2.7
103.03911	0.4
105.07042	0.9
107.04993	0.5
107.08585	1.2
109.02882	1.1
109.10155	0.7
119.08602	1.0
121.10156	1.2
127.03906	2.5
131.08557	0.7
135.11693	1.0
145.04982	0.7
145.10153	0.9
148.13087	0.3
163.11208	1.5
164.18144	0.4
185.04271	1.1
203.05293	1.0
243.08392	2.3
249.10872	0.5
331.20670	0.4
335.25592	0.4
347.09476	2.3
363.08609	0.5
365.10889	0.7
405.13626	6.0
467.18832	7.2
519.29077	4.2
629.24048	5.9
681.34338	3.6
745.41339	1.5
896.71692	0.4
907.46478	100.0
908.46747	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	907.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	4.2
68.05862	0.3
68.34405	0.3
69.03420	3.9
69.07072	1.3
69.65179	0.6
69.65544	0.6
71.01360	0.5
71.04987	0.8
73.02913	4.3
79.05482	3.3
79.05891	0.4
81.03427	1.3
81.07049	4.8
81.07498	0.3
83.04983	0.4
83.08630	0.4
85.02898	5.6
87.04456	0.5
91.03943	3.5
91.05008	0.3
91.05464	1.7
93.07041	3.6
95.04990	0.6
95.08592	3.4
96.65310	0.3
97.02879	5.1
97.06528	0.4
97.27921	0.3
98.23405	0.5
99.04472	1.0
99.30583	0.3
101.02380	1.6
103.03967	0.3
105.07043	1.2
107.08584	2.0
108.08963	0.3
109.02899	0.4
109.10184	1.1
115.03944	0.4
117.06992	0.7
119.08604	0.9
121.10114	1.5
123.11744	0.3
127.03960	1.3
131.08580	0.6
132.89684	0.3
133.10158	0.6
135.11653	2.0
145.04953	0.5
145.10165	1.0
149.13257	0.5
163.03873	0.5
163.11229	1.4
179.14268	0.4
185.04289	1.1
203.05418	0.6
227.12924	1.4
243.08339	2.1
243.16003	0.5
244.16345	0.3
249.10982	7.1
259.51376	0.3
287.18497	0.4
305.13766	1.1
327.90384	0.3
335.25909	1.2
336.26263	0.6
347.09381	1.7
363.08966	0.5
365.10706	0.9
405.13687	6.2
467.18811	5.7
503.36945	0.7
504.37601	1.3
519.29199	7.2
520.29877	0.3
530.38898	0.4
547.39893	0.5
548.39691	0.7
583.36267	0.4
629.24097	3.2
681.34515	7.2
682.35339	0.5
745.41455	2.3
788.90424	0.5
907.46466	100.0
908.46844	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	909.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.3
67.68800	0.2
67.72303	0.2
69.03421	4.5
69.07070	0.7
69.67925	0.7
71.01361	0.6
71.04995	0.7
73.02909	5.0
73.03283	0.4
79.05479	2.1
81.03410	2.9
81.07045	3.3
81.07490	0.2
83.04983	0.5
83.08635	0.6
85.02894	8.2
85.43958	0.2
87.04482	0.5
91.03946	4.2
91.04486	0.2
91.05480	2.0
91.05994	0.3
93.07032	2.6
93.07514	0.2
93.16926	0.2
95.04963	1.0
95.08588	2.6
97.02885	7.0
97.06496	0.2
99.00880	0.2
99.04443	1.0
101.02998	0.3
103.03951	0.7
105.07016	1.5
107.08606	1.3
109.02876	1.2
109.06545	0.2
109.10146	0.9
115.03962	0.7
117.06993	0.2
119.08603	0.9
121.10121	1.3
123.11718	0.2
127.03896	2.3
127.04723	0.2
129.04529	0.2
129.07005	0.2
131.08591	0.8
133.10155	0.8
135.11705	0.6
145.04996	0.8
145.10164	0.3
147.11748	0.4
157.10141	0.5
163.14827	0.2
175.11169	0.4
185.04195	1.0
193.12341	0.7
201.03703	0.2
203.05319	0.8
211.13458	0.2
229.32982	0.2
232.81892	0.2
243.08357	2.4
243.10568	0.2
251.12498	1.0
259.08109	0.2
307.15372	0.3
335.25882	0.6
347.09448	2.5
347.12564	0.2
363.09189	0.5
365.10602	1.2
405.13644	5.7
469.20474	5.2
519.29218	6.1
520.29669	0.3
631.25671	3.2
681.34460	7.2
747.42706	1.7
748.44226	0.2
909.48004	100.0
910.48322	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	909.481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.5
69.03416	3.4
69.07061	0.7
70.59254	0.2
71.01335	0.4
71.04991	0.5
73.02911	3.6
79.05483	2.3
81.03403	3.0
81.07040	2.5
83.04979	0.5
83.08633	0.7
85.02894	6.0
85.06595	0.3
87.04425	0.2
91.03941	3.3
91.04425	0.3
91.05461	2.4
93.07036	2.2
95.04950	1.1
95.08591	2.0
96.86125	0.2
97.02883	5.4
97.03481	0.4
98.23145	0.3
99.04462	0.9
105.07040	1.0
107.04999	0.3
107.08597	0.8
109.02813	1.1
109.10162	0.5
115.03924	0.5
119.08587	1.0
120.72810	0.2
121.10176	0.8
127.03903	1.6
129.06990	0.6
131.08589	0.7
133.10123	0.5
135.11696	0.3
145.04968	0.3
145.10110	0.2
146.89548	0.2
147.11734	0.7
149.09631	0.4
157.10138	0.6
175.11111	0.3
185.04295	0.8
193.12276	0.8
201.03712	0.3
203.05305	0.9
211.13187	0.3
243.08398	2.2
251.12631	0.7
307.15384	0.5
335.26016	0.3
347.09433	2.5
347.12689	0.2
363.09088	0.5
365.10757	0.8
405.13623	5.7
405.18710	0.3
469.20386	6.9
519.29266	4.4
520.29816	0.2
585.37592	0.3
631.25720	6.2
632.26764	0.3
681.34308	3.5
747.42859	1.6
909.47968	100.0
910.48395	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	910.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85178	0.8
70.59128	0.7
71.42345	0.7
72.08115	0.8
72.82169	0.8
76.81306	0.8
79.05486	1.4
80.21810	0.7
89.03897	10.2
91.05517	1.0
92.05013	1.4
95.04955	1.5
106.06540	0.9
107.04953	3.3
117.03372	11.2
120.04458	13.9
120.58855	0.8
123.04427	4.0
124.07594	2.7
132.04431	1.0
133.02856	3.4
133.05171	1.1
134.06026	1.1
135.04407	24.9
137.02370	1.8
138.05528	0.9
139.06281	1.0
145.02838	14.2
145.03943	1.4
146.55016	0.7
147.04414	1.5
147.90182	0.9
148.03923	29.0
149.02420	1.3
149.04694	1.5
151.03888	4.3
152.07101	1.6
161.02383	1.1
162.05481	5.5
163.03888	92.3
163.06224	3.8
164.04260	2.6
164.07117	4.2
168.06544	1.4
176.03426	3.9
177.01762	1.9
177.04124	1.9
180.06534	13.6
180.07944	1.4
181.04866	0.8
182.08125	3.6
190.04980	0.8
191.03445	0.8
192.06538	2.0
194.04387	1.2
197.05992	1.6
198.10075	0.8
208.06027	100.0
209.06770	3.8
210.07593	5.8
213.05438	1.3
223.13092	0.8
225.05392	1.2
226.07083	4.5
228.06541	1.0
228.08675	3.6
231.06497	7.8
237.05443	1.0
243.06480	2.2
253.04926	2.3
253.90715	1.0
254.05731	2.5
255.06403	1.0
256.06354	1.0
269.08200	1.0
270.05109	1.0
270.07635	1.9
271.05865	1.7
281.04367	2.0
282.05200	2.3
283.05881	1.8
289.07031	7.9
296.05383	1.5
300.08636	4.4
301.06683	1.5
313.07010	2.4
322.06699	0.9
327.07492	1.8
328.07886	2.4
331.08130	1.8
340.08237	1.1
341.06546	17.4
346.09225	3.4
347.09561	2.4
349.09143	14.8
389.11258	1.7
508.12225	2.9
509.12549	3.4
511.12930	1.0
522.13519	1.0
540.14624	1.1
551.13940	2.9
568.13708	1.1
586.15253	2.2
730.16632	1.5
748.18042	7.0
878.17645	1.1
904.43701	0.9
910.20758	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	910.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.9
68.69671	2.6
69.77184	2.7
71.18097	4.0
77.96272	2.9
89.03902	3.0
91.05478	5.0
95.04916	3.3
107.04950	5.4
110.17910	2.7
111.04462	11.9
120.04572	2.8
123.04446	5.3
135.04388	13.0
137.02393	5.9
137.06020	3.2
138.61453	2.9
139.03912	21.2
153.05452	19.8
162.05611	3.4
163.03937	8.0
165.06941	4.3
173.06125	2.8
176.07112	6.9
178.05031	2.7
181.04958	9.1
193.79063	2.7
204.06564	6.1
208.06065	3.0
221.05922	7.3
225.05507	3.0
249.05505	9.5
252.06590	6.6
253.04871	4.4
254.08148	10.6
266.08139	8.4
269.06836	10.0
277.04950	7.6
280.06244	13.6
283.08469	4.0
284.09103	29.1
294.07550	5.1
295.05984	10.4
298.07196	7.3
300.08682	5.4
312.08636	55.0
313.09201	3.8
316.08493	3.5
322.07281	3.2
323.05621	4.2
326.10083	13.1
328.07993	2.8
330.09604	4.6
337.07071	5.6
340.08136	100.0
341.08643	7.8
342.09729	15.3
343.10004	8.4
344.11050	10.7
354.09753	5.0
358.09009	14.2
370.75449	3.1
372.10715	13.5
384.43518	2.8
390.11603	4.5
666.15833	6.8
680.13641	9.9
694.15436	15.0
698.14355	11.4
712.16528	43.5
750.30530	2.8
878.19171	25.9
888.80219	3.1
892.19952	8.9
910.20300	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	910.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02372	0.9
64.07958	0.4
65.03940	2.4
69.07428	2.2
69.07830	0.8
79.05498	1.8
81.03436	0.5
81.07089	0.4
85.02886	0.5
89.03915	6.5
91.05482	1.8
92.05162	0.4
93.03398	1.9
95.04977	1.5
96.65462	0.4
103.05427	0.4
105.03374	0.9
107.04953	5.7
109.06542	0.5
111.04424	5.7
117.03370	7.8
119.04935	1.1
123.04398	0.9
125.06001	0.8
131.04958	0.5
132.04433	2.2
133.02844	2.1
134.03654	2.2
134.89197	0.4
135.04404	18.3
137.05988	1.5
139.03891	9.1
143.00435	0.4
145.02834	8.0
145.03926	0.7
147.04449	0.6
148.03944	0.9
149.06003	0.9
153.05531	0.5
160.03935	3.3
161.04715	1.6
162.05527	1.5
163.03893	38.6
164.04182	0.6
172.03993	1.6
176.03413	0.7
177.05516	0.9
179.03381	2.4
180.04227	1.8
180.08035	0.7
181.04982	1.7
188.30998	0.4
190.05014	1.3
191.05814	0.9
192.08092	0.7
202.04947	0.5
207.06676	0.5
208.07635	1.0
220.07674	1.5
221.05980	0.4
222.09264	0.6
223.07623	0.9
235.06314	1.2
236.07037	3.0
237.07808	0.9
238.08542	0.9
240.06476	0.4
246.05428	0.5
247.06395	1.0
248.07045	2.9
249.07886	0.9
250.08682	1.6
252.06508	1.1
252.10275	0.6
253.07260	2.6
254.08138	1.3
262.08679	0.6
263.05722	2.5
264.06552	7.6
265.07285	2.3
266.08096	5.4
267.08997	1.1
268.09726	1.0
269.21185	0.4
270.07520	0.8
272.90405	0.4
274.04999	1.7
275.05783	2.1
276.06546	1.9
277.07315	1.1
278.08197	1.7
279.09113	0.5
280.06180	1.2
280.09726	2.2
281.06711	2.8
282.07538	2.5
283.08344	0.8
284.05588	0.7
284.09296	0.5
287.66550	0.4
288.06693	0.4
290.04828	0.6
290.08197	1.3
291.05283	3.8
291.08261	0.7
292.06018	11.7
293.06714	6.7
294.07474	1.9
294.37622	0.4
295.08444	1.6
296.09155	20.4
297.09570	0.7
298.07083	5.8
298.10370	0.7
299.00919	0.5
299.07855	1.5
302.04587	0.5
303.05295	1.9
304.06046	0.4
306.07520	3.2
307.08420	1.7
308.05820	0.6
308.09024	4.7
309.06259	2.4
310.07150	2.0
311.07996	1.8
313.05963	1.1
314.10379	0.8
317.06635	0.5
318.07669	3.0
319.04727	7.1
319.08160	0.6
320.05533	7.7
320.09027	0.9
321.06274	4.7
322.34143	0.4
324.08624	29.4
325.09265	2.9
326.10266	1.4
328.08505	0.7
334.07092	6.3
335.07834	1.9
336.08710	2.3
337.05832	9.8
338.06494	3.4
339.07285	2.4
342.09875	1.1
343.11011	0.5
352.08118	32.3
353.08884	5.3
354.09973	0.6
370.09167	6.4
371.10034	1.4
409.09280	0.5
476.13583	0.6
504.12848	7.1
514.11298	0.6
519.11914	0.5
522.14215	0.8
532.04321	0.9
532.12366	15.4
533.12671	0.5
550.13361	12.0
551.14075	0.6
568.14435	4.1
702.18170	0.6
712.16534	100.0
713.16718	4.5
730.17395	1.0
748.18726	9.2
762.28601	0.5
910.21771	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02376	0.3
65.03941	2.1
66.04807	0.3
70.53412	0.8
77.74355	0.3
79.05492	1.2
79.87544	0.3
81.03417	1.0
85.02889	0.6
89.03914	5.9
90.50655	0.4
91.05476	1.6
93.03397	2.6
95.04980	1.0
104.04971	0.3
105.04536	0.5
107.01313	0.5
107.04946	4.3
107.56084	0.3
109.02850	0.7
111.03673	0.5
111.04430	8.5
117.03363	4.8
119.04955	0.7
120.04457	0.5
123.04446	0.7
124.07632	0.3
132.04465	0.7
133.02863	1.4
134.03636	0.6
134.06033	0.4
135.04402	16.7
136.07489	0.6
137.02336	9.0
137.03346	0.5
137.05972	0.7
139.03888	10.0
145.02832	6.2
145.03915	0.5
146.56853	0.3
147.04385	0.6
148.03912	0.6
148.67789	0.3
154.04700	0.3
160.03966	1.0
161.04726	0.9
162.05559	0.8
163.03886	33.8
164.04320	0.7
164.07086	0.7
166.08694	0.3
176.03477	0.4
177.05443	0.6
179.03383	0.5
179.05820	0.8
180.04242	0.9
180.06656	0.4
181.04924	1.7
181.30676	0.3
190.04976	1.6
202.05006	0.5
203.90395	0.3
208.06145	0.4
219.06787	0.4
220.07629	1.0
221.05992	0.5
223.07707	0.4
236.07159	0.9
237.07790	0.3
238.08548	0.4
240.06750	0.4
244.07918	0.3
246.05420	2.0
247.06290	0.5
247.10138	0.6
248.07162	1.2
249.05550	0.6
249.07925	0.5
250.08707	0.6
250.13791	0.3
253.07362	1.6
254.08168	0.4
260.07236	0.4
261.07898	0.4
262.08615	0.7
263.05786	0.5
263.09506	0.4
264.06534	3.4
265.07257	1.8
266.08109	3.7
267.08835	0.6
273.07874	1.4
274.05023	1.5
274.08575	0.4
275.06003	0.5
275.09277	0.7
276.06824	0.7
276.10089	0.5
277.04736	0.7
277.07367	1.0
278.08224	1.3
280.06247	0.5
280.09818	1.0
281.06863	1.3
282.07672	0.7
289.07367	0.5
290.08038	0.8
291.05286	1.7
291.08725	0.6
292.06015	9.4
293.06711	3.8
294.07529	1.6
295.08554	1.2
296.09155	15.0
298.07175	1.3
303.05106	0.5
304.06293	0.3
304.09528	0.7
306.07565	2.4
307.08142	0.7
308.05524	0.6
308.09265	2.3
309.06323	1.5
310.07190	1.1
311.07919	0.7
317.06818	1.6
318.07648	0.6
319.04758	2.0
320.05539	7.6
320.09210	0.9
321.06265	2.9
322.07291	0.3
324.08621	27.4
325.09348	1.7
326.10382	1.0
327.11160	0.3
332.09238	0.7
333.09943	0.6
334.07187	3.3
335.07977	1.4
336.08737	1.1
337.05768	4.2
338.06601	1.7
339.07346	1.7
349.09680	0.5
351.07596	0.3
352.08112	30.8
353.08853	3.7
354.10568	0.5
355.11813	0.4
356.08453	0.4
364.09344	0.6
369.09335	0.6
370.09332	3.3
371.09854	1.7
377.09225	1.0
378.09885	0.6
380.09180	0.6
381.09982	1.0
382.10547	1.0
383.11572	1.2
384.12479	0.8
394.10526	0.4
398.10315	1.0
409.09396	1.9
410.09906	0.7
412.11938	2.0
413.12717	0.6
424.11801	0.7
431.82632	0.3
437.08917	0.4
440.11206	1.6
441.12057	2.3
442.12784	1.8
444.10901	0.4
450.10397	0.4
458.12775	1.0
468.10715	0.6
469.11581	1.1
470.12280	0.9
486.12009	2.2
487.12476	0.5
488.13239	0.5
499.09244	0.4
504.12872	6.2
505.13113	0.3
514.11591	1.2
518.11426	0.4
527.10596	0.3
532.12378	14.2
533.12708	0.5
540.12970	0.5
550.13409	7.3
551.13885	0.6
568.14374	0.6
649.15826	0.6
650.15900	0.4
666.16022	0.5
684.17664	0.6
694.15637	6.5
711.15607	0.4
712.16522	100.0
713.16797	6.3
729.81781	0.4
730.17529	0.9
748.18378	2.4
892.20654	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	912.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	5.4
77.43531	1.3
79.05479	1.8
89.03890	1.9
91.05482	3.1
92.05001	1.3
93.03384	2.6
95.04945	2.6
98.70404	1.2
104.05047	1.2
105.03442	2.2
107.04950	4.9
111.04424	14.6
119.04953	3.0
120.04488	5.8
123.03523	2.0
123.04416	33.9
124.04774	1.4
131.12881	1.2
132.04449	2.0
133.02864	4.2
133.05234	2.8
134.06071	1.6
135.04411	13.6
137.02333	3.6
137.06000	1.8
139.03873	20.6
146.05972	3.3
147.04433	2.2
148.03926	26.3
148.05038	2.2
149.04710	7.0
150.05511	1.9
152.07040	1.7
153.05511	2.4
159.04463	1.3
160.03830	1.5
161.04681	1.8
162.05498	3.9
163.03912	5.1
163.06168	1.5
164.07089	2.0
165.06969	2.7
166.06276	2.4
174.05534	2.7
176.07047	9.0
178.05060	1.8
178.08160	1.2
180.06570	2.9
181.04962	12.0
181.06438	2.7
190.04930	1.6
193.06544	3.6
196.07643	1.5
202.04970	2.5
203.03429	1.4
204.06523	2.0
208.05962	14.9
211.07426	2.1
220.05841	1.7
221.05966	14.8
223.07568	3.0
225.05455	4.8
225.07591	2.1
233.06033	2.4
236.07077	3.1
237.07820	2.1
238.08749	2.5
239.07076	3.3
242.08064	3.9
249.05463	15.3
251.07076	4.6
252.06546	2.6
253.04982	2.4
253.07397	2.9
254.08078	12.7
255.06447	2.0
264.06616	3.4
265.07269	2.9
266.08112	3.7
267.06445	6.6
268.09641	3.8
269.06949	4.1
270.07584	4.9
271.08231	2.7
272.09238	1.7
277.04874	12.3
278.05212	2.0
278.08105	3.0
279.06436	3.5
280.06097	3.9
280.09683	4.9
281.04123	1.8
281.06757	3.8
282.07651	10.2
283.08279	3.0
284.09189	13.4
285.06363	3.9
285.09348	2.2
286.10687	1.5
295.05948	25.2
296.09128	13.3
297.07187	1.9
298.07346	2.5
298.10657	6.4
300.08636	21.9
302.10266	2.1
308.05399	2.4
309.06314	5.4
312.08636	27.2
313.09412	6.7
314.10110	18.7
323.05444	28.6
324.05490	1.5
324.08786	7.1
327.07153	1.5
330.09616	1.6
340.08267	7.1
341.08481	5.0
342.09735	29.5
358.09076	1.8
360.10776	14.1
373.11560	2.1
374.12030	1.4
419.99387	1.5
469.52570	1.4
493.11285	1.6
506.25375	1.3
521.11072	6.7
611.66541	1.3
654.15582	1.6
664.14410	2.3
669.14014	1.7
682.15472	100.0
683.16003	6.4
699.14606	1.5
700.15820	4.0
732.18762	1.8
880.20264	18.1
912.22754	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	914.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62926	0.6
65.03932	5.1
69.25462	0.7
71.03201	1.1
75.04485	0.8
79.05489	1.4
89.03903	1.5
91.05471	9.7
92.04982	3.6
93.03391	5.7
106.06535	1.6
107.04928	4.3
109.05170	0.7
110.06030	41.4
111.04433	20.1
117.03355	1.0
118.41377	0.7
119.04927	8.1
122.06020	3.1
123.04426	4.5
123.06831	0.8
134.05997	28.0
135.04399	18.2
135.06775	5.4
136.03893	1.0
136.07599	3.4
137.02313	2.5
137.05959	12.0
138.05486	100.0
139.03876	33.7
139.05611	1.1
145.02829	1.0
150.05441	1.5
152.07088	1.5
152.83350	0.7
153.05482	1.2
159.04341	0.9
162.05472	5.4
162.50188	0.7
163.03893	9.9
165.07002	2.2
166.04993	1.9
179.03502	0.9
180.06532	89.9
181.04939	25.7
181.06595	1.9
186.60429	0.7
187.03842	2.0
191.03360	0.8
193.06464	1.5
195.07979	0.9
198.07639	5.2
203.03348	2.7
205.06607	1.3
211.07512	1.2
213.01932	1.1
219.87105	0.7
221.05957	10.7
223.07559	1.5
225.05469	5.0
231.02769	4.3
233.06020	0.9
239.06911	3.5
249.05452	15.4
251.06984	2.6
252.03969	0.7
253.04984	4.6
254.08234	1.4
255.06467	7.5
255.08875	1.0
257.31152	0.7
266.08093	1.8
267.06454	8.4
267.08908	1.2
269.04346	1.2
271.05939	1.0
277.04916	12.0
278.05551	1.0
279.06534	4.3
281.04431	4.6
282.07455	0.8
284.09125	1.3
295.05975	42.7
296.06351	1.3
297.07339	4.0
299.08966	0.9
305.04471	2.7
310.07095	1.1
313.07135	3.0
323.05453	46.7
324.05896	2.0
325.07248	1.9
330.09659	2.2
341.06345	3.6
365.06516	3.1
367.07657	0.8
393.05951	2.3
410.08862	0.9
411.06940	3.1
419.42053	0.7
428.21600	0.7
447.10147	0.9
475.10379	0.8
492.12830	2.2
493.11404	3.7
520.12335	58.4
521.10791	40.2
522.11145	1.4
652.14429	4.4
896.19611	1.1
942.17444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84196	0.1
68.99786	0.2
69.64394	0.3
81.03426	0.1
109.02888	0.2
111.00804	0.1
115.05452	0.1
120.30148	0.1
121.02870	0.3
122.25065	0.1
123.04443	0.1
127.03893	0.1
129.07002	0.1
137.02327	1.6
137.03351	0.1
141.06956	0.1
143.04956	0.1
145.02794	0.1
147.04373	0.2
149.02345	0.3
157.06468	0.3
161.06001	0.2
165.01801	0.1
171.04442	0.2
175.03908	0.1
175.07513	0.1
177.05496	0.2
185.05919	0.5
189.05493	0.2
193.04927	0.1
199.03857	0.2
203.06938	0.2
213.05415	1.7
216.04114	0.1
231.06482	0.7
241.04930	0.9
242.05666	0.2
259.05978	0.3
269.04388	0.4
287.05463	100.0
288.05798	2.7
299.05505	0.1
454.14951	0.1
533.13062	0.4
555.64185	0.1
577.11829	10.7
578.12341	0.4
620.23193	0.1
625.15497	4.3
626.15076	0.1
748.73065	0.1
874.89349	0.1
915.21729	0.6
934.02301	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	916.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36623	1.6
69.69398	7.5
72.28609	1.9
91.05482	2.3
98.23373	4.2
103.93182	1.9
111.04427	8.4
114.67933	1.9
131.04890	2.8
135.04399	6.3
137.02309	4.1
137.69028	1.7
139.03896	15.4
140.25371	1.7
159.04422	3.1
162.18440	1.7
163.03888	11.8
181.04971	9.3
187.03896	7.0
189.97719	2.2
205.06490	9.5
221.05977	7.5
223.07532	20.0
225.05507	4.2
233.05954	17.8
239.07045	3.6
243.82545	2.2
249.05415	14.9
251.07007	22.3
253.04904	19.0
261.05411	6.6
267.06488	4.8
269.08051	2.9
277.04971	6.2
279.06494	36.3
295.05939	24.3
297.07431	6.7
304.81732	2.1
313.07175	3.7
323.05457	3.1
334.57144	2.4
341.06525	100.0
844.29236	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74689	0.6
65.22161	0.7
67.05502	3.0
69.03430	1.9
69.07063	1.3
71.00336	0.7
71.43121	0.7
73.02917	2.5
79.05499	2.7
81.03426	1.9
81.07047	2.9
83.07678	0.8
85.02884	3.3
91.03970	2.1
91.05460	3.6
93.07041	2.9
95.04967	1.7
95.08619	1.8
97.02871	4.6
97.38873	0.6
101.02389	1.4
105.07030	2.7
107.04939	1.2
107.08618	1.9
119.08599	1.6
127.03904	1.1
133.10104	1.5
135.11702	1.0
145.02773	0.8
147.11708	1.3
163.03894	0.8
165.25079	0.8
166.52303	0.8
171.11769	0.9
209.37953	0.6
243.08537	1.1
275.20032	1.0
305.76965	0.8
315.19485	2.0
341.37888	0.7
347.09677	2.4
357.83392	0.7
365.10342	0.9
371.21957	1.5
405.13531	3.9
465.21014	6.4
509.45120	0.9
533.27148	6.0
627.26239	7.2
695.32434	4.1
757.41254	1.0
886.02228	0.8
919.46460	100.0
920.46826	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	920.557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.9
67.05499	44.4
69.03423	2.5
69.07066	7.0
71.04984	13.4
71.08660	0.5
72.47934	0.6
73.02905	1.6
77.03922	0.6
79.05487	23.2
81.03417	1.2
81.07048	61.9
83.04960	2.6
83.08604	4.0
85.02897	6.7
85.06538	5.4
87.04449	0.8
91.03950	5.0
91.05472	18.5
93.07033	25.4
95.04958	3.3
95.08595	19.9
97.02870	3.7
97.03410	0.6
97.06497	3.1
97.10172	2.3
99.08067	1.1
105.04520	0.7
105.07012	10.7
105.07641	0.9
107.08580	16.3
109.06506	1.9
109.10144	9.5
117.07031	2.7
119.08546	6.4
121.10130	12.7
123.11691	10.2
127.03921	1.5
131.08557	4.9
133.10117	14.3
135.11667	8.0
145.04988	2.1
145.10120	3.7
147.11661	3.8
147.12704	0.6
149.13213	4.6
151.11165	5.6
159.11688	5.5
161.13298	2.0
163.05930	2.6
163.14786	0.8
169.12196	0.9
171.11618	0.7
173.04504	0.8
173.13269	1.9
177.12778	1.7
183.13861	1.8
186.51007	0.5
187.13307	3.7
187.14793	1.2
193.32893	0.6
195.13774	1.0
199.14929	0.8
227.16341	0.8
229.20633	0.7
243.15851	1.2
243.21159	0.7
257.17429	0.9
259.20633	1.0
261.22125	1.7
264.26315	0.6
269.17438	5.2
301.20068	11.1
303.01926	0.6
317.24783	0.6
335.25763	20.5
336.26035	0.7
437.34073	1.0
445.24545	1.1
485.36182	2.6
502.91800	0.6
503.37259	68.4
504.37717	2.5
511.37592	1.5
517.38458	3.0
529.38855	13.9
530.39294	0.6
547.40045	1.2
561.41449	100.0
562.41882	3.7
705.45190	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.4
67.05496	64.2
68.21072	0.8
69.03423	2.9
69.07056	12.6
71.04983	21.0
73.02900	3.8
73.06561	1.3
79.05485	34.4
79.05948	1.7
81.03406	1.9
81.07046	93.2
83.04948	3.8
83.08596	9.2
85.02893	12.3
85.06525	7.2
87.04408	1.0
88.55385	0.9
91.03957	8.4
91.05033	0.6
91.05466	29.0
93.07030	43.1
95.04961	4.7
95.08592	29.9
96.04475	0.8
97.02869	5.3
97.06503	4.0
97.10152	3.5
99.04442	1.0
99.08076	2.0
101.67700	0.9
105.04498	0.8
105.07011	17.5
107.08582	23.7
109.06501	3.2
109.10142	15.5
111.08052	2.3
117.07008	5.8
119.08572	10.7
121.10130	21.6
123.08078	1.4
123.11700	14.8
125.09583	1.5
127.03911	2.3
129.06985	1.0
131.08534	8.6
133.10110	20.6
135.08026	0.8
135.11682	12.2
137.13234	0.8
139.11186	1.3
143.08553	1.1
145.04955	3.0
145.10094	6.5
147.11646	5.2
149.13242	7.1
151.11172	7.8
153.12767	1.6
157.10089	2.2
157.14070	0.8
159.11635	8.3
161.13246	3.5
163.06024	2.7
163.14760	1.4
167.14304	1.1
171.11688	1.5
173.13217	2.9
175.14716	0.9
177.12741	2.3
183.11642	0.9
183.13783	2.9
185.13206	1.1
187.13269	4.7
187.14832	2.2
195.13803	1.1
201.14798	1.3
227.16400	3.7
243.15894	1.4
243.21182	1.5
253.17920	1.6
257.17325	2.1
259.20358	1.4
261.22104	2.9
269.17419	6.1
289.21564	1.0
301.20062	19.0
335.25787	19.5
411.32657	2.3
437.34253	1.1
445.24069	1.7
485.36053	3.0
503.37271	81.3
504.37549	3.4
511.37750	2.5
517.38556	3.1
529.38867	30.1
561.41425	100.0
562.41797	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	921.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.5
67.05498	3.3
69.03424	2.8
69.07077	1.0
69.34003	2.4
71.01373	0.5
71.04993	0.8
71.16734	0.4
73.02898	2.2
79.05486	4.7
81.03407	2.9
81.07037	3.9
85.02894	4.7
91.03939	2.9
91.05479	4.0
93.07032	6.0
95.04987	1.4
95.08562	2.5
97.02892	5.5
97.09571	0.5
98.23476	0.6
99.04477	0.7
99.10229	0.4
101.02400	1.7
105.04491	0.7
105.06994	2.5
107.04957	0.5
107.08610	1.8
109.02916	0.7
109.10177	0.7
115.04005	0.5
117.07046	0.6
119.08597	2.0
121.06512	0.5
121.10162	1.3
125.09602	0.4
127.03934	1.2
129.07076	0.7
131.08589	1.2
133.10136	1.4
135.11707	1.0
143.08580	0.7
145.10187	0.6
147.11708	1.6
159.11780	0.7
163.03944	1.2
163.11240	0.5
171.11691	0.6
185.04292	1.2
201.03777	0.9
203.05403	1.0
243.08534	1.5
283.15475	0.9
313.66882	0.5
315.10397	0.6
335.25937	1.3
347.09451	2.6
363.08878	0.9
365.10641	1.3
373.23749	0.6
403.12787	0.6
405.13538	5.7
463.14273	0.9
465.20917	7.4
475.14435	0.5
535.28613	3.5
543.37012	0.5
544.36975	0.5
559.23596	0.5
562.38458	1.1
627.26166	7.2
657.27100	0.7
697.33972	4.1
699.28241	0.8
759.06232	0.5
759.41608	0.6
921.48022	100.0
922.48456	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	922.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54776	0.6
65.03938	1.5
68.53024	0.5
69.03419	1.3
69.12688	1.3
69.13071	1.7
72.08135	0.7
73.25354	0.5
79.05492	1.6
80.04996	0.6
81.03395	1.3
82.06593	1.5
85.02900	2.0
89.03911	1.1
91.05474	2.8
92.05002	0.8
93.07063	2.2
94.06556	4.2
95.04986	1.0
95.07347	1.9
96.08137	7.8
97.02887	0.7
97.06544	0.9
101.99236	0.6
103.05470	1.2
106.06525	0.7
107.04955	0.7
107.07326	1.1
108.04470	2.9
108.08114	11.7
110.09675	10.7
111.04435	1.6
116.04970	1.5
118.06560	3.0
120.04462	24.0
120.08094	9.1
122.06031	4.5
122.09668	1.3
124.07594	4.2
127.03940	0.7
132.04469	0.8
132.08052	0.8
134.06029	2.2
135.04425	2.1
136.07559	15.6
138.05519	1.7
138.09129	15.8
139.03905	2.3
144.04411	3.7
144.08109	1.7
145.02850	0.8
146.05997	23.5
147.04408	0.7
148.07574	5.2
150.09143	2.9
152.07088	1.4
158.06073	1.5
160.03951	2.8
160.07550	1.0
162.05450	5.7
163.03920	2.5
164.07065	3.4
166.08632	24.7
170.05972	3.6
172.03915	16.4
172.05305	1.0
172.07590	3.5
174.05566	2.2
174.09154	0.9
176.07021	3.4
177.05479	1.9
178.04991	1.8
181.04979	1.0
184.07625	1.6
184.09969	0.8
186.05496	7.0
188.07074	8.6
190.04980	23.5
198.05519	5.0
204.06544	27.4
206.08124	2.8
207.06647	0.7
208.06006	1.4
211.12221	0.7
212.07031	1.3
214.08644	2.8
216.06538	4.1
218.08101	3.3
222.11510	0.8
223.12572	0.8
225.10190	0.9
227.11780	3.6
229.13464	1.0
232.06027	10.9
234.11555	1.1
235.08647	0.7
237.10229	1.1
238.05080	1.7
239.11775	0.7
240.06635	2.6
242.04549	0.7
245.12874	5.2
246.11606	1.7
248.09172	0.7
249.10167	3.1
250.07158	0.8
250.10986	1.2
251.11868	2.3
252.09161	0.6
253.09645	0.8
253.13358	0.6
255.11282	3.6
257.12958	0.9
258.07599	5.5
261.10217	1.6
262.11008	1.1
263.09003	0.6
263.11710	3.3
264.08789	0.7
265.09714	1.1
273.12305	12.5
273.14963	0.9
275.11737	3.6
276.09058	0.9
276.12570	0.8
277.09784	3.1
277.13266	1.0
278.10489	0.9
279.11304	4.0
281.12686	1.1
289.09723	4.5
290.10510	1.6
291.11108	3.0
293.09650	0.6
293.12775	2.9
294.10196	0.7
297.12344	4.5
299.13803	1.7
303.11328	3.7
305.09232	13.2
305.12885	7.1
306.09866	1.8
306.13333	0.7
307.10770	4.6
308.11258	0.7
309.12393	1.0
315.11270	2.1
317.09247	5.1
318.09900	1.4
319.10867	1.9
320.11438	0.9
321.12393	2.3
325.11789	9.8
327.13348	1.6
331.10831	2.6
333.12411	2.4
335.10254	2.1
337.11856	1.6
343.12772	1.8
347.10455	0.9
349.11765	5.7
350.12231	0.6
353.11493	0.7
356.17468	0.7
357.14453	6.0
359.10217	1.8
365.11295	7.5
366.12033	0.9
367.13058	0.7
377.11252	6.3
379.13071	1.0
395.12207	1.1
397.13919	13.0
409.14063	0.7
416.20001	0.9
430.21136	1.4
434.20087	0.6
442.17621	1.1
444.19299	1.0
458.20764	1.8
462.20297	3.1
470.16983	2.6
484.18848	1.0
486.19977	1.1
487.17200	3.0
502.19559	2.5
504.21594	1.5
512.18030	4.1
518.23090	0.8
530.19189	100.0
531.19598	4.1
539.16589	0.9
548.20679	0.7
562.21765	23.7
563.22333	0.9
628.21869	0.7
646.24066	0.8
648.25568	1.0
656.21674	1.5
665.05359	0.7
674.23444	4.2
692.24353	24.7
693.24225	1.5
724.27112	3.6
754.62775	0.7
890.29510	2.1
923.31897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.5
67.05474	0.6
68.18443	0.4
69.03419	1.5
70.06572	0.5
73.10638	0.4
79.05511	1.1
80.04997	0.9
81.03397	1.0
82.06561	0.6
85.02911	1.8
85.48602	0.4
89.03896	0.8
91.05478	2.7
92.05000	0.5
93.05757	1.0
93.07037	2.6
94.06552	4.5
95.04965	0.6
95.07336	2.3
96.08116	5.8
97.02893	1.1
97.06525	0.6
98.05991	0.4
103.05481	1.2
105.07021	0.7
107.07349	0.8
108.04471	2.5
108.08110	8.9
110.07169	0.5
110.09664	11.5
111.04431	1.3
111.09908	0.5
116.04980	2.6
118.05821	0.4
118.06524	2.5
120.04460	25.3
120.08096	7.8
120.08904	0.8
122.06033	5.3
122.09680	1.3
124.07585	4.5
127.03915	0.6
130.06528	0.9
132.08134	0.6
134.06024	1.7
135.04417	2.1
136.07561	15.8
137.05978	1.6
137.08356	0.7
138.05498	1.5
138.09123	13.4
138.10158	0.8
139.03914	2.2
144.04420	3.0
144.08109	1.0
145.02847	1.3
146.05992	21.9
147.04419	0.8
148.07544	5.8
150.09160	2.6
152.07118	1.5
158.06046	0.9
159.06731	0.5
160.03918	3.0
160.07591	1.2
162.05492	3.7
163.03897	3.6
164.07053	3.0
166.08623	23.9
167.07065	0.8
170.05968	4.4
172.03926	16.6
172.07539	3.8
174.05478	2.5
174.09122	1.0
176.07037	3.5
177.05473	1.4
178.05011	1.0
181.05074	0.8
182.09648	0.5
184.07594	1.4
186.05481	5.9
186.09138	0.7
188.07050	8.1
190.04974	23.5
191.05331	0.7
192.06465	0.6
198.05516	4.5
199.08542	0.7
204.06541	28.6
205.06834	0.5
206.08093	2.7
208.06010	0.8
209.10773	0.5
211.12276	0.4
212.07033	1.2
212.09396	0.6
214.08627	1.8
216.06509	4.4
218.08118	3.8
221.10660	0.4
223.12329	0.6
225.10143	0.6
227.11763	5.0
230.08034	0.8
232.06036	10.6
234.11475	0.6
235.12170	0.7
236.09361	0.8
237.10260	1.8
238.05093	1.4
240.06396	2.7
242.04486	0.8
245.12840	4.0
246.11565	1.6
247.60274	0.4
248.09544	0.6
249.10114	2.5
250.07039	0.7
250.10970	1.5
251.11862	2.2
253.09573	0.6
253.13509	0.8
255.11278	3.4
255.13681	0.4
256.06058	1.0
257.12967	0.9
258.07581	5.9
259.12219	0.4
261.10367	1.9
262.11133	0.8
263.08963	0.4
263.11798	2.8
264.08734	0.4
265.09714	1.8
265.13196	0.6
268.54611	0.5
273.12323	13.7
275.09015	0.5
275.11642	2.8
276.08850	0.5
276.12497	1.1
277.07132	0.5
277.09732	2.6
277.13220	0.8
278.10565	1.1
279.11212	4.0
281.12860	1.4
287.11682	0.7
288.08954	0.6
289.09619	3.4
290.10434	2.0
291.11197	3.0
292.12192	0.8
293.09598	0.7
293.12915	3.0
297.12381	5.0
299.13962	1.7
302.06708	0.8
303.07986	0.8
303.11203	3.6
304.08548	1.4
304.11960	1.0
305.09219	14.0
305.12857	8.0
306.09943	1.7
306.13400	0.6
307.10751	4.9
308.11627	0.5
309.12405	1.2
315.11139	1.1
316.08197	1.6
317.09149	6.3
318.09961	2.1
319.10751	3.0
321.12256	2.8
323.10309	0.8
325.11813	10.2
327.13416	1.5
331.10852	2.0
333.12241	3.4
335.10217	2.7
337.11890	1.0
339.13495	1.0
343.13065	2.2
349.11728	5.5
351.13330	1.0
355.12997	0.7
357.14426	5.6
359.10202	1.9
365.11270	7.9
366.11935	1.3
367.13052	0.8
377.11288	5.9
379.13052	0.6
395.12485	1.0
397.13934	12.2
401.86255	0.5
430.21100	1.3
434.20679	0.6
435.06680	0.5
440.20078	0.5
444.19604	1.3
458.20850	2.2
462.20212	2.8
466.18048	0.6
470.16638	2.9
474.20087	0.5
484.18665	0.8
486.20215	1.5
487.17108	2.3
502.19791	1.2
504.21298	1.7
512.18011	4.3
518.22327	0.6
527.16998	0.8
530.19183	100.0
531.19592	4.1
539.16504	0.6
548.20404	0.8
562.21790	20.1
563.22192	0.7
575.16248	0.6
648.24847	0.9
656.22357	1.4
674.23309	4.3
692.24451	24.2
693.24823	1.3
724.27203	4.7
728.24194	1.4
890.29346	1.5
922.31287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.5
67.05474	0.6
68.18443	0.4
69.03419	1.5
70.06572	0.5
73.10638	0.4
79.05511	1.1
80.04997	0.9
81.03397	1.0
82.06561	0.6
85.02911	1.8
85.48602	0.4
89.03896	0.8
91.05478	2.7
92.05000	0.5
93.05757	1.0
93.07037	2.6
94.06552	4.5
95.04965	0.6
95.07336	2.3
96.08116	5.8
97.02893	1.1
97.06525	0.6
98.05991	0.4
103.05481	1.2
105.07021	0.7
107.07349	0.8
108.04471	2.5
108.08110	8.9
110.07169	0.5
110.09664	11.5
111.04431	1.3
111.09908	0.5
116.04980	2.6
118.05821	0.4
118.06524	2.5
120.04460	25.3
120.08096	7.8
120.08904	0.8
122.06033	5.3
122.09680	1.3
124.07585	4.5
127.03915	0.6
130.06528	0.9
132.08134	0.6
134.06024	1.7
135.04417	2.1
136.07561	15.8
137.05978	1.6
137.08356	0.7
138.05498	1.5
138.09123	13.4
138.10158	0.8
139.03914	2.2
144.04420	3.0
144.08109	1.0
145.02847	1.3
146.05992	21.9
147.04419	0.8
148.07544	5.8
150.09160	2.6
152.07118	1.5
158.06046	0.9
159.06731	0.5
160.03918	3.0
160.07591	1.2
162.05492	3.7
163.03897	3.6
164.07053	3.0
166.08623	23.9
167.07065	0.8
170.05968	4.4
172.03926	16.6
172.07539	3.8
174.05478	2.5
174.09122	1.0
176.07037	3.5
177.05473	1.4
178.05011	1.0
181.05074	0.8
182.09648	0.5
184.07594	1.4
186.05481	5.9
186.09138	0.7
188.07050	8.1
190.04974	23.5
191.05331	0.7
192.06465	0.6
198.05516	4.5
199.08542	0.7
204.06541	28.6
205.06834	0.5
206.08093	2.7
208.06010	0.8
209.10773	0.5
211.12276	0.4
212.07033	1.2
212.09396	0.6
214.08627	1.8
216.06509	4.4
218.08118	3.8
221.10660	0.4
223.12329	0.6
225.10143	0.6
227.11763	5.0
230.08034	0.8
232.06036	10.6
234.11475	0.6
235.12170	0.7
236.09361	0.8
237.10260	1.8
238.05093	1.4
240.06396	2.7
242.04486	0.8
245.12840	4.0
246.11565	1.6
247.60274	0.4
248.09544	0.6
249.10114	2.5
250.07039	0.7
250.10970	1.5
251.11862	2.2
253.09573	0.6
253.13509	0.8
255.11278	3.4
255.13681	0.4
256.06058	1.0
257.12967	0.9
258.07581	5.9
259.12219	0.4
261.10367	1.9
262.11133	0.8
263.08963	0.4
263.11798	2.8
264.08734	0.4
265.09714	1.8
265.13196	0.6
268.54611	0.5
273.12323	13.7
275.09015	0.5
275.11642	2.8
276.08850	0.5
276.12497	1.1
277.07132	0.5
277.09732	2.6
277.13220	0.8
278.10565	1.1
279.11212	4.0
281.12860	1.4
287.11682	0.7
288.08954	0.6
289.09619	3.4
290.10434	2.0
291.11197	3.0
292.12192	0.8
293.09598	0.7
293.12915	3.0
297.12381	5.0
299.13962	1.7
302.06708	0.8
303.07986	0.8
303.11203	3.6
304.08548	1.4
304.11960	1.0
305.09219	14.0
305.12857	8.0
306.09943	1.7
306.13400	0.6
307.10751	4.9
308.11627	0.5
309.12405	1.2
315.11139	1.1
316.08197	1.6
317.09149	6.3
318.09961	2.1
319.10751	3.0
321.12256	2.8
323.10309	0.8
325.11813	10.2
327.13416	1.5
331.10852	2.0
333.12241	3.4
335.10217	2.7
337.11890	1.0
339.13495	1.0
343.13065	2.2
349.11728	5.5
351.13330	1.0
355.12997	0.7
357.14426	5.6
359.10202	1.9
365.11270	7.9
366.11935	1.3
367.13052	0.8
377.11288	5.9
379.13052	0.6
395.12485	1.0
397.13934	12.2
401.86255	0.5
430.21100	1.3
434.20679	0.6
435.06680	0.5
440.20078	0.5
444.19604	1.3
458.20850	2.2
462.20212	2.8
466.18048	0.6
470.16638	2.9
474.20087	0.5
484.18665	0.8
486.20215	1.5
487.17108	2.3
502.19791	1.2
504.21298	1.7
512.18011	4.3
518.22327	0.6
527.16998	0.8
530.19183	100.0
531.19592	4.1
539.16504	0.6
548.20404	0.8
562.21790	20.1
563.22192	0.7
575.16248	0.6
648.24847	0.9
656.22357	1.4
674.23309	4.3
692.24451	24.2
693.24823	1.3
724.27203	4.7
728.24194	1.4
890.29346	1.5
922.31287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05471	6.6
81.03404	10.1
85.02894	10.3
91.05457	6.8
93.07035	4.8
94.06550	7.3
96.08104	4.0
98.23499	8.3
99.04455	3.5
105.07056	4.5
107.07296	4.8
108.08103	7.2
109.02840	4.0
110.09669	8.9
115.05440	2.9
120.04444	9.6
120.08094	10.0
122.06010	12.5
122.09622	3.9
122.25320	3.7
124.07574	3.7
127.03861	5.7
130.06528	3.4
135.04359	3.2
136.06706	2.9
136.07523	16.7
137.05980	9.2
138.09106	15.7
141.55342	3.5
144.04507	3.8
146.06044	4.6
148.07573	10.0
150.09134	9.0
152.07036	4.0
160.03896	5.1
162.05487	3.8
163.03883	11.8
165.09090	15.0
166.08589	27.9
168.59052	3.3
172.03964	10.9
175.07512	4.1
177.05511	4.4
190.04958	14.6
204.06519	17.4
225.10165	5.5
227.11775	5.3
236.09412	3.5
237.10126	6.4
241.09747	3.8
249.10262	8.6
250.11064	5.2
251.08017	5.5
251.11693	8.0
252.02888	3.3
252.12427	4.2
253.09688	11.0
255.11238	5.6
261.10349	6.2
263.11798	9.8
265.09695	14.4
266.10388	6.0
267.11255	11.8
269.12775	5.3
271.10883	7.8
277.09604	4.1
278.10477	4.7
279.11276	17.0
280.11868	5.7
281.12784	5.2
283.10709	13.8
283.14670	3.2
287.13846	4.6
289.09634	12.6
291.11050	7.2
293.09158	9.5
293.12531	4.9
295.10645	6.8
296.11533	5.4
297.12164	8.9
299.13800	4.1
305.09232	4.1
307.10718	6.7
309.12170	8.0
311.10327	6.2
311.13855	6.7
313.11688	5.9
314.12634	4.5
315.13089	4.5
321.12042	3.4
323.13672	3.8
325.11792	13.7
327.13452	10.4
335.10184	18.5
337.11548	5.5
339.09692	4.8
339.13416	46.9
349.11938	6.4
353.11270	19.7
354.12067	4.5
355.12994	16.5
356.13864	3.9
357.14343	11.3
367.12820	34.5
384.12851	13.0
398.14825	9.8
399.15771	15.5
400.16434	4.3
401.93820	3.4
416.15967	7.5
440.15686	4.7
458.17218	18.4
488.18039	34.1
490.19714	4.8
506.19156	39.7
520.20752	7.3
530.19061	7.5
534.18524	20.6
573.16461	7.1
593.23248	4.4
611.24939	46.3
612.23840	3.6
643.27051	5.3
736.22986	28.5
768.26031	100.0
769.26630	17.4
800.28046	11.3
823.32843	4.3
859.30304	23.9
900.57471	3.4
923.44617	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	923.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	8.9
70.07437	3.6
70.56012	7.7
71.04987	4.6
81.03407	6.7
85.02895	12.5
85.26015	3.4
90.10439	3.9
94.06570	10.3
96.08153	9.3
97.02870	8.3
101.52003	3.3
103.05468	4.4
108.04478	4.5
108.08097	23.2
109.02889	9.7
110.09683	12.2
116.04989	3.5
120.03687	3.5
120.04498	13.4
120.08084	19.7
122.06007	17.4
122.09673	6.5
123.04441	12.2
124.07586	7.4
127.03902	8.9
134.06033	4.7
135.04417	7.3
136.07588	24.9
137.30368	3.5
138.09143	18.2
145.02888	7.1
146.06042	14.7
148.07574	11.8
150.09117	17.3
152.07092	5.1
158.29190	3.4
162.05551	4.0
163.03908	16.3
166.08638	48.5
172.03844	22.1
176.07045	6.3
177.05507	5.3
186.05486	6.2
188.06979	6.6
190.04927	21.2
199.12260	4.1
204.06548	43.7
223.12202	3.7
225.10179	17.5
227.11855	20.7
232.05856	5.1
237.10225	11.9
238.10970	3.8
239.11763	10.2
241.09669	7.4
249.10312	13.9
251.11848	15.5
253.09796	14.2
255.11285	10.5
261.10196	4.5
262.11200	5.7
263.11728	6.8
264.08731	6.8
265.09656	13.7
265.12643	3.9
266.10684	5.1
267.11401	13.5
269.12857	13.2
271.10751	11.2
273.12323	10.5
277.09570	6.5
278.10486	8.0
279.11188	27.5
281.09305	3.8
281.12769	4.7
283.10828	14.3
284.11594	4.2
285.12418	6.7
287.13910	12.5
289.09686	13.9
290.10400	4.5
291.11255	7.8
293.09207	7.2
293.12692	4.6
295.10626	8.3
297.12372	12.5
299.13892	7.9
300.11075	5.1
302.04108	4.4
303.05045	6.8
307.10660	8.5
309.12503	10.0
311.10245	7.9
311.13776	7.5
312.10931	9.8
313.03354	10.3
313.11722	7.6
314.12524	5.6
315.13382	14.2
321.12070	4.5
323.10236	13.4
323.13696	4.4
325.11899	25.1
326.12430	7.0
327.13397	13.1
335.10156	19.1
337.11716	5.0
339.09662	6.0
339.13397	51.4
342.12268	5.5
343.12918	4.6
353.11349	16.2
354.11920	6.1
355.12866	15.5
356.14038	5.4
357.14359	25.6
358.15146	9.1
365.11087	6.0
366.12045	4.3
367.12906	35.9
370.15430	6.1
383.12823	6.4
384.12982	12.8
398.14899	19.4
399.15573	31.3
402.51016	4.4
416.15482	17.4
428.15915	5.5
435.07227	21.3
440.15765	12.9
446.17218	9.1
458.16891	27.2
458.80606	4.6
459.17419	4.4
460.19000	4.5
488.18237	16.1
490.19528	14.7
506.19266	26.0
520.20508	11.4
530.19025	20.1
531.19562	20.0
534.18713	14.3
551.21136	4.2
573.17212	20.2
593.23566	9.1
605.19067	7.0
611.24921	100.0
612.25446	5.8
615.11072	9.9
643.27264	11.0
693.03638	4.3
728.25903	11.8
736.23419	23.9
736.34857	4.3
753.86261	3.9
768.25983	94.9
769.26324	20.2
800.28650	21.9
801.28253	7.6
859.30579	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	8.9
70.07437	3.6
70.56012	7.7
71.04987	4.6
81.03407	6.7
85.02895	12.5
85.26015	3.4
90.10439	3.9
94.06570	10.3
96.08153	9.3
97.02870	8.3
101.52003	3.3
103.05468	4.4
108.04478	4.5
108.08097	23.2
109.02889	9.7
110.09683	12.2
116.04989	3.5
120.03687	3.5
120.04498	13.4
120.08084	19.7
122.06007	17.4
122.09673	6.5
123.04441	12.2
124.07586	7.4
127.03902	8.9
134.06033	4.7
135.04417	7.3
136.07588	24.9
137.30368	3.5
138.09143	18.2
145.02888	7.1
146.06042	14.7
148.07574	11.8
150.09117	17.3
152.07092	5.1
158.29190	3.4
162.05551	4.0
163.03908	16.3
166.08638	48.5
172.03844	22.1
176.07045	6.3
177.05507	5.3
186.05486	6.2
188.06979	6.6
190.04927	21.2
199.12260	4.1
204.06548	43.7
223.12202	3.7
225.10179	17.5
227.11855	20.7
232.05856	5.1
237.10225	11.9
238.10970	3.8
239.11763	10.2
241.09669	7.4
249.10312	13.9
251.11848	15.5
253.09796	14.2
255.11285	10.5
261.10196	4.5
262.11200	5.7
263.11728	6.8
264.08731	6.8
265.09656	13.7
265.12643	3.9
266.10684	5.1
267.11401	13.5
269.12857	13.2
271.10751	11.2
273.12323	10.5
277.09570	6.5
278.10486	8.0
279.11188	27.5
281.09305	3.8
281.12769	4.7
283.10828	14.3
284.11594	4.2
285.12418	6.7
287.13910	12.5
289.09686	13.9
290.10400	4.5
291.11255	7.8
293.09207	7.2
293.12692	4.6
295.10626	8.3
297.12372	12.5
299.13892	7.9
300.11075	5.1
302.04108	4.4
303.05045	6.8
307.10660	8.5
309.12503	10.0
311.10245	7.9
311.13776	7.5
312.10931	9.8
313.03354	10.3
313.11722	7.6
314.12524	5.6
315.13382	14.2
321.12070	4.5
323.10236	13.4
323.13696	4.4
325.11899	25.1
326.12430	7.0
327.13397	13.1
335.10156	19.1
337.11716	5.0
339.09662	6.0
339.13397	51.4
342.12268	5.5
343.12918	4.6
353.11349	16.2
354.11920	6.1
355.12866	15.5
356.14038	5.4
357.14359	25.6
358.15146	9.1
365.11087	6.0
366.12045	4.3
367.12906	35.9
370.15430	6.1
383.12823	6.4
384.12982	12.8
398.14899	19.4
399.15573	31.3
402.51016	4.4
416.15482	17.4
428.15915	5.5
435.07227	21.3
440.15765	12.9
446.17218	9.1
458.16891	27.2
458.80606	4.6
459.17419	4.4
460.19000	4.5
488.18237	16.1
490.19528	14.7
506.19266	26.0
520.20508	11.4
530.19025	20.1
531.19562	20.0
534.18713	14.3
551.21136	4.2
573.17212	20.2
593.23566	9.1
605.19067	7.0
611.24921	100.0
612.25446	5.8
615.11072	9.9
643.27264	11.0
693.03638	4.3
728.25903	11.8
736.23419	23.9
736.34857	4.3
753.86261	3.9
768.25983	94.9
769.26324	20.2
800.28650	21.9
801.28253	7.6
859.30579	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68123	0.7
66.51682	0.7
67.05501	1.3
79.05491	1.0
135.11790	0.7
250.98526	0.8
254.84813	0.7
297.17542	0.9
697.32147	1.5
923.43842	100.0
924.44452	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	923.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05531	1.6
67.57479	1.3
67.64103	1.2
81.07030	1.6
90.06702	1.3
94.14275	1.3
103.44199	1.2
136.61194	1.3
146.51817	1.2
162.01523	1.5
163.03928	1.8
169.38295	1.2
217.98546	1.3
223.08063	1.2
457.72913	1.4
466.95718	1.4
469.49768	1.2
902.11194	1.3
918.36176	1.3
923.43842	100.0
924.44556	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	923.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26867	0.9
70.79845	1.2
79.05492	1.0
86.04782	0.9
91.05499	1.1
95.25441	1.0
105.07012	2.4
123.04196	4.3
142.07741	1.5
157.10204	1.3
175.11218	1.5
208.97485	1.0
223.09390	100.0
224.09760	1.8
267.92319	1.0
273.14569	48.2
274.14615	1.1
407.92001	1.3
473.25064	98.3
474.25342	1.8
491.33011	1.1
744.10883	1.1
877.05914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	11.9
71.42800	7.8
81.03397	13.2
81.07055	6.0
85.02907	42.0
87.00816	14.7
91.05453	10.0
97.02883	15.7
103.05453	16.1
105.01867	33.4
106.48991	5.2
109.02863	13.8
119.04950	9.0
127.03910	34.5
131.04922	66.3
133.02892	5.9
137.05969	72.7
145.05000	14.0
147.04338	6.5
149.05959	13.3
151.07512	20.5
157.06621	5.7
159.02914	6.1
162.06761	9.3
163.03864	8.6
163.07500	45.1
165.09012	7.0
175.11153	12.0
177.09094	7.0
179.06917	6.1
187.11124	12.8
189.09044	10.1
191.10713	13.8
203.10509	8.0
215.10684	16.8
217.12170	7.2
229.12256	7.5
231.04875	10.9
239.14362	6.6
243.13744	8.7
249.06032	8.1
257.15359	38.2
299.20026	100.0
311.20071	7.4
313.14334	18.0
343.15320	19.5
347.20285	5.7
383.18475	15.3
429.24564	8.6
449.26743	16.0
461.27020	28.0
479.28030	63.5
757.18835	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	925.477
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38209	0.9
67.05484	4.1
69.03420	4.1
69.07066	0.8
73.02928	4.6
79.05481	3.7
81.03436	2.6
81.07068	3.2
85.02902	6.0
90.92085	0.7
91.03942	5.0
91.05492	2.2
93.07062	2.2
95.04958	1.1
95.08626	2.1
97.02888	5.8
98.23454	2.4
99.04466	1.2
101.02411	2.6
105.07049	1.1
107.08641	1.0
109.03001	0.8
109.10166	1.2
119.08607	1.3
121.10152	1.0
127.03954	2.2
131.08601	1.0
135.11671	1.0
163.03966	0.8
185.04198	1.6
194.04353	0.8
203.05305	1.3
243.06062	0.8
243.08481	2.3
267.12296	0.8
312.40167	0.8
318.71219	0.8
347.09348	3.7
365.10464	1.0
405.13593	6.5
467.18680	4.5
485.20190	1.4
519.29413	6.3
629.24011	2.5
647.25348	2.0
681.34546	5.6
745.41534	2.2
755.41577	1.3
763.43036	1.0
907.46326	6.7
925.47400	100.0
926.48126	6.8
953.04419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	3.3
68.79290	0.4
69.03419	3.8
71.01369	0.5
71.04996	1.3
71.36927	0.9
73.02911	4.7
77.89153	0.4
79.05475	3.0
80.32305	0.4
81.03428	1.7
81.07050	4.4
85.02894	7.3
91.03951	4.9
91.05494	2.0
93.07044	2.5
95.04988	0.6
95.08620	1.8
97.02884	6.1
99.04462	1.0
101.02387	1.4
102.36437	0.4
103.03936	0.5
105.07005	0.7
107.08610	1.1
109.02905	0.9
109.10175	1.3
115.03958	0.7
119.08594	0.8
121.10218	1.2
123.11718	0.7
127.03898	2.1
131.08574	0.6
133.10152	1.2
135.11710	1.1
148.55278	0.4
159.11823	0.5
185.04289	1.3
203.05301	1.2
243.08400	2.2
267.15823	0.7
347.09412	3.1
365.10559	1.3
383.75858	0.5
405.13617	5.8
405.18005	0.5
453.20944	0.7
485.23743	5.2
505.55109	0.5
519.29224	5.7
602.47430	0.5
647.28711	3.6
681.34393	7.8
715.30951	0.4
763.46265	1.0
844.67053	0.6
925.51178	100.0
926.51422	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	925.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.7
69.03421	4.3
71.01354	0.9
71.04960	1.9
71.43263	0.4
73.02914	3.4
75.09391	0.4
78.67319	0.3
79.05495	1.9
81.03421	1.6
81.07045	4.7
85.02894	5.9
85.06531	0.4
87.04480	0.5
91.03960	2.8
91.05467	2.0
93.07013	2.5
95.08630	1.6
95.89314	0.3
97.02882	5.8
97.06560	0.4
99.04474	0.6
101.02405	1.5
103.03965	0.7
105.07047	1.0
107.08604	1.2
109.06534	0.4
109.10192	0.9
117.07017	0.5
121.10207	0.5
123.11729	0.9
124.07151	0.4
127.03880	1.9
131.08546	0.7
133.10155	1.3
135.11694	0.5
145.04980	0.6
149.13322	0.5
152.07896	0.4
185.04248	0.7
203.05214	0.5
221.69464	0.4
235.95097	0.4
243.08337	2.5
257.17551	0.4
267.15878	1.2
316.51108	0.4
323.18558	0.6
335.26086	0.5
347.09665	1.6
363.09387	0.5
365.10742	1.5
370.64670	0.4
405.13724	5.6
453.20990	0.6
485.23523	6.6
519.29175	3.3
549.60754	0.4
603.26801	0.5
628.34326	0.5
647.28870	6.4
660.25378	0.4
681.33875	3.3
763.46503	1.6
925.51160	100.0
926.51251	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	926.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	5.3
70.58197	1.4
79.05501	1.4
89.03901	1.6
90.92313	1.2
91.05476	6.0
92.05030	1.2
93.03430	4.0
95.04934	5.1
105.03375	1.2
106.06622	1.1
107.04956	6.2
109.06535	1.8
111.04427	21.0
111.05148	1.1
117.05790	1.3
117.24117	0.9
118.06566	0.9
119.04942	3.3
120.04497	3.7
121.06546	1.6
123.04409	7.7
124.07583	7.9
129.12099	0.9
131.04979	2.1
132.04465	2.1
133.02837	6.2
133.05261	4.0
134.06046	2.7
135.03285	2.0
135.04401	21.4
135.05354	1.4
135.06837	3.8
136.07565	6.2
137.02373	4.1
137.06032	3.7
139.03888	32.6
141.05461	1.6
144.04413	0.9
146.06055	3.6
147.04408	1.4
147.48001	0.9
148.03917	21.4
148.07607	1.7
149.04733	3.0
150.05551	4.2
151.03940	4.3
152.07043	4.7
153.05460	4.7
153.07158	0.9
159.03194	2.7
159.04382	1.0
160.03983	2.7
161.04752	3.3
162.05505	6.6
163.03889	21.6
163.06166	5.6
164.07050	13.4
165.05679	1.8
165.07074	3.1
167.03391	5.8
169.05069	2.3
169.06631	1.1
174.05605	3.2
175.03897	1.1
176.03494	1.3
176.07083	12.2
177.05548	1.5
177.06961	1.1
178.04964	11.9
179.03481	1.6
180.06619	6.8
181.04948	10.3
181.06451	1.8
185.88879	1.2
187.02556	1.6
187.04021	2.7
188.03313	1.0
190.04988	3.1
191.05788	1.6
192.06526	29.7
192.08185	1.6
193.06589	2.4
197.06122	1.8
202.04941	10.4
203.03462	4.2
204.06633	3.3
205.06601	4.2
206.04474	12.1
208.06047	8.7
211.07555	1.6
220.06027	39.8
221.05957	11.6
222.06479	1.5
223.07500	7.7
225.05467	7.1
230.04527	2.6
233.05989	6.2
237.05614	1.0
238.07133	2.7
239.07097	3.8
242.08113	1.2
248.05705	3.3
249.05437	12.2
250.06224	2.3
251.07065	6.8
252.04135	1.4
252.06612	1.4
253.04980	10.3
254.05501	1.9
254.08104	2.0
255.06593	4.1
256.06357	3.0
257.06989	1.0
258.07571	1.1
261.05493	2.5
266.06354	4.8
267.06683	7.2
267.09088	1.4
268.06131	1.8
269.06897	1.2
270.07697	2.7
271.08563	1.1
277.04947	12.6
278.05637	1.8
279.06464	10.8
280.06320	1.1
281.04410	5.2
281.07193	1.1
282.04938	1.8
282.07758	4.2
283.02280	7.1
283.05112	0.9
283.08469	1.1
284.02866	2.5
284.05774	3.5
284.09277	3.3
285.07343	1.0
285.10217	1.6
286.07260	3.9
286.10696	1.1
287.07806	1.0
288.08780	2.8
294.07718	3.2
295.05975	36.6
296.06268	3.1
296.09320	2.4
297.07547	2.8
298.04059	4.8
298.07449	10.7
299.05112	3.4
299.08035	14.3
300.08636	6.0
305.04468	2.2
309.06403	1.9
310.06958	6.8
311.07846	1.5
312.08762	2.9
313.06616	1.3
313.09885	1.2
314.10193	37.5
316.08350	3.1
317.08932	1.2
321.04086	1.2
323.05460	20.6
324.05673	1.7
324.08896	3.1
326.10419	3.1
327.07736	2.0
328.08365	2.2
330.09937	1.6
332.11282	4.8
337.03326	2.3
338.03674	1.2
340.08267	1.4
341.06519	2.1
342.09705	42.4
343.10379	3.2
344.07657	2.3
344.11526	3.6
345.08530	2.5
346.09183	1.3
352.08118	1.4
356.04486	1.2
358.09204	2.0
359.09988	2.9
360.10730	41.6
361.11182	1.4
370.09119	15.2
371.09793	1.0
372.10876	2.4
388.10257	17.1
390.12018	1.9
406.11295	26.3
406.16391	1.8
499.32251	1.2
521.11121	3.7
668.10980	1.0
684.17249	2.8
702.18030	1.3
711.52246	1.2
728.16010	12.6
729.16992	1.4
746.17065	10.6
898.22150	1.7
908.20190	100.0
909.20789	8.1
926.21240	56.9
927.21710	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	929.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31012	0.5
70.06527	0.2
72.08109	0.1
86.09663	0.2
97.02849	0.1
127.03867	0.2
129.10162	0.2
145.02780	0.3
147.04382	0.1
150.03027	0.2
151.03769	0.1
154.58543	0.1
155.92345	0.1
163.03807	0.2
165.01788	0.3
174.03067	0.4
177.05386	0.3
185.05937	0.2
187.03926	0.1
201.05479	1.4
202.06232	2.0
203.03391	0.2
212.04578	0.2
213.05402	1.1
216.04161	0.1
229.04951	1.3
230.03560	0.2
230.05714	2.5
241.04918	0.2
243.02983	0.3
244.03613	0.3
257.04489	1.2
258.05228	7.4
259.05667	0.2
268.03641	1.0
269.04453	0.3
285.03900	0.5
286.04688	25.1
287.05096	0.7
301.07040	100.0
302.07391	3.0
547.14496	0.7
580.60022	0.1
591.13385	12.9
592.14069	0.7
639.16998	5.7
640.17627	0.3
929.23132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	11.0
67.05515	0.6
68.99786	0.6
69.03443	0.8
70.10759	1.2
70.11089	1.3
79.05490	5.0
81.03408	0.7
81.07065	3.4
85.02895	2.1
89.03901	2.2
91.04891	0.4
91.05469	12.7
93.02863	1.0
93.03400	11.7
94.04144	1.3
95.04955	1.8
103.05504	0.6
105.03386	0.8
107.04948	17.2
109.06506	2.1
111.04431	54.3
112.04742	0.7
117.03348	0.6
119.04944	5.0
121.02817	0.6
122.03634	0.8
123.04411	16.6
131.04915	1.1
132.04419	2.3
133.02817	3.2
135.04405	56.8
136.04707	0.8
137.02347	18.0
137.05965	74.3
138.06308	1.2
139.03888	100.0
140.04250	0.8
145.03978	0.6
146.01387	0.7
147.04341	1.2
150.03111	2.2
150.05475	2.1
151.03885	3.2
153.05466	2.3
157.02849	2.6
159.04442	0.8
163.03888	20.1
165.05472	82.9
165.06947	5.8
166.06267	8.2
167.08592	0.7
169.06447	1.2
175.03905	1.4
176.06122	0.8
177.07008	1.1
179.03380	1.0
181.04942	60.5
182.05576	1.1
182.08144	0.9
185.02284	0.6
186.03169	1.0
187.03885	4.0
193.06479	3.7
195.08080	0.6
197.06029	2.3
197.08057	18.6
203.03366	7.8
205.04822	0.8
205.06500	3.3
209.04303	0.9
209.06104	1.0
211.07498	2.9
213.01740	3.2
215.07016	1.6
221.05962	18.7
222.06425	0.9
223.07503	4.7
225.05444	8.5
231.02869	6.0
233.05911	3.0
237.05464	2.0
238.06013	0.9
239.07028	8.6
243.06366	1.0
249.05452	31.7
250.06070	2.8
251.07001	5.5
252.04181	2.3
253.04881	8.4
255.06483	5.2
256.07114	1.0
259.03802	1.7
261.05420	2.1
262.06256	0.9
263.06918	0.7
265.04984	3.6
266.05588	1.8
267.06491	17.8
268.07010	1.0
269.04437	1.3
271.06018	3.9
275.68384	0.7
277.04935	26.1
278.05615	3.7
279.06485	7.1
281.04413	10.5
283.06046	1.0
284.03076	1.2
285.07550	3.2
289.04935	2.2
293.04315	3.4
294.05154	2.7
295.05988	63.6
296.06396	2.4
297.07245	2.9
305.04422	5.6
313.07007	9.3
317.04431	2.0
319.08270	0.7
321.03958	1.6
323.05463	83.9
324.05859	1.3
325.07263	1.2
331.08176	1.0
341.06528	8.9
351.08826	1.0
353.07898	1.4
365.06461	1.8
371.08826	1.0
381.07443	1.4
383.08841	0.7
399.08395	1.1
411.07254	3.0
427.08069	7.0
429.09406	0.8
445.09021	1.5
447.10709	1.4
455.07501	1.8
457.09326	0.7
459.10812	2.0
461.12354	1.6
473.08511	7.2
475.10040	1.6
477.11728	0.8
487.10291	4.7
491.09335	1.7
493.11237	8.2
503.09442	1.2
504.19009	0.7
505.11142	5.1
521.10736	45.6
522.11176	1.1
543.08997	0.8
576.76404	0.6
625.12701	1.7
652.10468	0.7
653.12817	13.7
657.14716	0.9
671.13947	1.2
685.15405	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	932.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.9
66.04716	0.9
67.05492	0.6
71.01343	0.3
71.18472	0.2
71.18864	0.3
77.03916	0.3
79.05486	4.0
81.03389	0.3
81.07050	3.8
89.03938	0.2
91.05473	8.0
93.03396	1.4
94.03671	0.2
94.04185	1.7
95.04954	1.5
99.27602	0.2
105.03381	0.3
105.04515	0.4
107.04945	3.2
109.06506	2.0
111.04433	9.9
119.04943	2.7
122.03618	1.5
123.04420	6.5
131.04880	0.4
131.13022	0.2
132.04474	0.3
133.02808	0.3
135.04405	12.0
135.69000	0.2
137.02408	2.6
137.05966	71.8
138.06270	0.5
139.03893	18.9
147.04402	1.4
150.03134	0.9
150.05534	0.4
151.03917	0.4
153.05447	1.7
157.02887	0.3
159.04494	0.3
163.03886	4.9
165.05466	100.0
166.05896	1.4
169.06485	0.2
175.03836	1.1
180.38278	0.3
181.04935	13.9
182.05603	0.7
187.03847	0.8
193.06348	0.6
195.06500	0.5
197.06065	0.8
197.08055	10.2
203.03357	2.2
205.06483	0.8
211.07422	0.6
213.01797	0.9
215.06984	0.3
221.05946	4.2
223.07515	1.0
225.05470	2.1
231.02843	1.3
233.06003	0.7
237.05251	0.3
239.06958	1.7
242.05666	0.6
249.05447	6.0
251.06955	0.9
252.04263	0.3
253.04950	1.7
255.06502	1.0
256.45282	0.2
265.04965	0.4
267.06506	3.1
271.05981	2.8
277.04947	6.0
278.05643	0.5
279.06479	1.9
281.04410	2.2
284.02896	0.3
285.07550	0.7
289.04745	0.3
291.06570	0.3
294.05280	0.3
295.05988	15.0
296.06256	0.5
297.04123	0.4
297.07559	0.7
305.04437	1.0
307.05939	0.3
313.07025	2.2
323.05469	19.5
324.05908	0.5
341.06534	1.6
351.04950	0.6
353.08029	1.2
365.06665	0.5
381.07504	0.8
383.08450	0.6
393.06738	0.3
399.08704	1.1
411.07401	0.9
417.09488	0.6
427.07947	1.6
431.10947	0.5
445.09052	1.0
455.07516	1.6
473.08533	3.3
475.10196	0.5
477.11511	0.3
487.10165	0.6
493.11298	2.0
503.09668	0.4
521.10742	15.7
522.11047	0.4
581.11053	0.3
625.13037	0.3
631.09027	0.3
653.12775	3.9
657.15521	0.5
685.15118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.1
65.87642	0.2
66.04705	0.4
67.05500	0.4
69.03438	0.4
69.99549	0.2
69.99879	0.7
77.49536	0.2
79.05487	4.0
81.03389	0.3
81.07057	3.5
84.87244	0.2
91.05473	7.5
93.03384	1.5
94.04170	1.4
95.04971	1.4
105.03381	0.4
105.04540	0.4
107.04954	2.8
109.06509	1.5
111.04430	6.7
119.04941	2.0
122.03643	1.0
123.04431	4.6
135.04404	7.7
137.02420	1.5
137.05965	61.5
138.06271	0.6
139.03891	15.0
147.04422	0.2
150.03125	0.4
163.03876	2.8
165.05463	100.0
166.05806	1.3
169.06450	0.3
181.04941	9.5
182.05772	0.6
186.03186	0.3
187.03870	0.5
193.06514	0.7
195.77861	0.2
197.06151	0.3
197.08063	7.3
203.03383	1.5
205.06567	0.5
211.07504	0.6
213.01869	0.4
221.05925	3.3
222.06224	0.2
223.07504	1.0
225.05508	1.5
231.02881	1.1
239.07048	1.5
249.05438	4.3
251.07079	0.5
252.04195	0.4
253.04968	1.3
255.06500	0.8
267.06516	2.4
271.05930	0.9
277.04922	4.3
278.05457	0.3
279.06503	1.0
281.04391	1.9
284.03094	0.3
285.07629	0.3
295.05988	10.3
296.06470	0.3
297.07538	0.4
305.04440	0.7
310.29242	0.2
313.07037	1.6
323.05466	13.6
325.07016	0.4
341.06482	1.1
365.06711	0.3
393.05829	0.3
411.07089	0.9
427.08218	0.4
493.11398	1.7
503.08945	0.3
521.10767	14.7
522.11139	0.4
653.12762	2.5
685.14722	0.3
701.14771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.3
65.04226	0.4
70.10278	0.9
70.10645	0.8
77.12935	0.4
79.05502	3.1
81.07056	3.5
91.05482	6.2
93.03392	0.9
94.04172	1.4
95.04951	0.8
105.04497	0.5
107.04957	2.6
107.74965	0.4
109.06512	1.4
111.04441	4.8
111.41117	0.4
114.03281	0.4
119.04923	1.7
123.04419	3.5
135.04405	6.8
137.05975	52.0
138.06300	0.7
139.03900	12.0
150.03183	0.5
163.03912	3.5
165.05475	100.0
166.05794	1.4
181.04947	8.9
181.06400	0.9
182.05681	0.5
186.14809	0.4
193.06654	0.4
197.08064	5.8
203.03343	1.0
205.06361	0.5
213.01781	0.6
221.05980	3.0
225.05450	1.0
231.02892	0.9
233.05769	0.5
239.07083	1.3
249.05424	2.9
251.06966	0.7
253.05006	1.0
255.06473	0.4
267.06509	2.2
271.06021	0.6
277.04929	3.4
279.06525	1.4
281.04462	1.2
295.02637	0.6
295.06006	10.8
297.07620	0.7
305.04410	0.7
313.07156	1.5
323.05487	13.7
323.09296	1.0
341.06656	1.0
411.07098	1.0
481.67371	0.4
493.11194	1.1
521.10754	13.3
522.11005	0.6
653.13104	3.1
948.14124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.0
69.03418	1.3
69.07073	2.0
79.05479	1.1
81.03408	2.9
81.07027	0.7
83.04976	4.8
85.02888	0.6
89.03908	4.3
91.05483	2.2
93.07030	1.3
95.04962	1.2
95.08593	0.5
95.81477	0.4
96.25941	0.4
97.02885	0.5
97.06512	3.7
99.02948	0.4
99.04440	1.4
102.64478	0.4
103.05451	0.5
105.07019	3.8
107.04917	0.7
107.08571	1.2
109.02854	1.9
109.06500	1.3
110.06415	0.4
111.04429	0.5
111.43440	0.4
117.03372	14.4
117.04198	0.8
117.06997	1.0
119.04932	0.9
119.08595	1.0
119.21658	0.3
121.06468	2.6
125.05996	7.3
128.06259	0.4
131.08517	1.2
133.06519	0.7
134.03607	1.0
135.04419	1.6
137.05981	0.6
143.07019	8.8
145.02840	47.1
145.06474	0.9
145.10107	7.7
147.04401	4.8
149.05972	6.2
151.07501	1.1
154.07722	0.4
158.07341	0.6
159.11723	2.6
163.03908	0.9
163.11230	1.3
169.10117	0.5
172.08858	0.5
173.09604	5.9
177.05457	100.0
177.12692	1.3
178.05811	2.1
184.63077	0.5
186.05557	0.6
187.11153	5.4
191.10623	2.7
195.06544	2.3
197.09587	0.9
205.12218	6.3
209.11768	1.2
215.10658	8.0
233.11694	8.3
242.58551	0.4
251.12752	5.3
269.13852	0.4
296.37311	0.5
303.08432	0.6
316.64435	0.4
321.09775	2.8
339.10730	6.2
341.14053	0.4
359.14691	0.6
377.15842	1.5
395.16769	1.5
413.17978	3.2
589.22296	1.7
856.27222	1.4
888.30615	0.7
900.26855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.9
67.05495	2.5
69.03415	2.1
71.04984	14.2
75.04469	1.0
81.03365	1.1
83.04972	53.7
85.02894	100.0
87.04456	2.5
91.05464	1.3
97.02893	2.1
99.04438	1.5
109.02888	1.6
111.04432	39.8
113.06010	4.3
117.05478	3.6
122.03640	1.2
127.03893	7.2
129.05467	31.9
131.04922	1.0
137.05959	24.3
145.02818	2.1
147.04390	1.1
151.03839	1.3
151.07581	1.7
153.05469	1.5
159.57855	0.9
161.05957	2.7
162.06702	1.1
163.07501	5.0
171.06505	95.3
172.06847	0.9
175.03801	1.1
177.05449	6.1
185.02124	0.9
189.07556	13.5
201.05428	17.6
205.06439	1.5
205.78600	0.9
206.07259	2.2
213.05434	2.7
219.08047	2.2
221.05989	1.7
231.06429	2.6
231.08601	11.4
233.06027	1.7
234.06845	4.6
235.07445	1.7
237.05644	0.9
237.08987	1.2
245.05948	1.8
247.07497	1.1
248.08315	1.0
249.09100	2.8
262.06268	7.1
265.08597	3.2
266.08990	1.1
273.05414	1.6
277.08420	7.7
279.06488	1.2
279.10135	3.3
281.11639	1.1
289.05090	1.2
290.05774	10.4
292.07074	1.8
293.08002	3.5
294.08710	1.7
295.09644	1.5
304.07428	1.3
305.08002	18.3
307.09604	5.9
309.11163	1.9
311.12668	2.6
319.09549	2.0
322.08264	1.9
325.10672	24.4
329.13837	2.5
337.10645	46.4
355.11688	18.7
381.11523	1.3
397.72021	1.0
487.15955	1.9
517.16766	2.2
559.18042	17.5
747.24316	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	932.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03999	1.2
67.05479	1.6
69.03410	2.9
71.05000	12.4
75.04469	1.6
78.04343	1.2
83.04978	47.1
85.02901	100.0
87.04443	1.5
97.02875	1.7
109.02879	1.7
111.04441	34.5
113.05987	4.8
117.05463	2.4
127.03916	4.9
129.05476	28.3
129.91425	1.5
137.05969	22.0
138.60037	1.1
151.07553	2.5
161.05984	1.7
163.07506	1.7
171.06523	83.1
173.05916	1.4
175.42603	1.1
177.05511	4.0
188.99837	1.3
189.07579	12.0
201.05467	15.5
205.06311	1.5
213.05435	1.4
219.08095	1.8
231.06526	2.3
231.08525	7.6
233.05873	1.9
234.06767	4.2
235.07484	1.3
245.05824	1.5
245.71541	1.2
249.09129	2.0
262.06381	6.3
263.07111	1.6
265.08557	3.0
273.05615	1.4
277.08621	7.5
279.10269	2.2
287.07013	2.2
290.05740	8.8
292.07172	2.7
293.07996	3.8
294.08783	1.7
305.07990	20.4
306.08099	1.3
307.06238	1.5
307.09631	5.0
309.11279	1.9
311.12860	2.7
319.09692	1.7
322.08475	1.6
325.10654	18.7
337.10657	44.5
355.11725	20.3
487.16003	2.5
517.17194	1.3
529.17242	1.7
547.05310	1.4
559.18134	15.1
747.24036	2.6
780.62445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	57.1
69.03412	3.6
69.07054	19.4
71.04975	5.5
71.43057	3.3
79.05481	73.7
81.03416	14.5
81.07051	54.6
83.04984	11.6
83.08605	13.8
85.02898	6.5
85.06533	4.2
91.05473	62.4
91.11436	2.9
92.89343	3.3
93.07033	72.9
95.04969	22.7
95.08593	30.7
97.02881	6.6
97.06531	13.5
97.10171	7.1
105.07018	48.1
107.04973	11.1
107.08571	35.2
109.06525	7.8
109.10150	7.9
111.08061	4.6
117.07010	16.1
119.08562	30.9
121.06499	5.0
121.10141	12.3
123.08076	5.6
125.09550	3.9
129.07004	14.9
131.08557	12.1
133.10112	18.7
135.11678	11.7
143.08556	9.8
145.10115	16.6
147.11664	32.3
149.09602	9.2
149.13255	3.7
159.11679	10.7
161.13228	8.8
163.11133	9.2
171.11676	20.0
189.12747	8.2
190.64743	3.4
207.13815	18.3
227.12804	8.0
239.20224	3.5
247.20721	3.7
257.18979	7.3
269.17386	10.0
274.06107	3.5
275.20035	23.7
281.17471	50.0
349.23749	17.9
435.27286	5.9
451.26346	3.6
461.29056	18.9
475.30463	100.0
555.36804	43.4
573.37372	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	936.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.0
67.01862	1.0
67.05509	0.2
68.99776	0.3
69.03425	4.5
69.14605	0.7
69.15022	0.4
71.04989	0.9
80.05008	0.1
81.03410	10.7
83.01344	0.2
83.05000	0.3
85.02398	0.4
85.02895	5.2
87.00833	1.2
91.05472	9.5
93.03402	0.9
95.04977	0.3
97.02883	14.1
98.23450	0.3
99.04448	2.8
105.01862	1.0
107.01306	0.2
108.04495	0.7
109.02869	10.2
111.04430	3.2
117.06973	0.2
119.04932	23.6
120.05316	0.2
126.05511	0.3
127.03902	27.3
129.01843	0.4
129.05457	0.2
135.04466	0.2
137.02335	26.6
137.03403	1.6
137.94807	0.1
138.02643	0.3
139.03889	8.1
145.04965	2.1
147.04393	100.0
148.04695	1.1
149.06035	0.2
151.03918	0.5
155.03371	7.4
155.04666	0.4
163.03885	1.4
165.05469	3.4
167.03386	7.1
169.04958	0.3
171.06482	0.3
173.05972	0.3
175.03931	0.2
177.05466	0.4
179.03348	0.3
181.04924	0.4
183.02878	0.2
185.04457	0.3
187.06007	4.3
189.07553	0.3
191.03447	0.4
201.05447	1.4
202.46634	0.2
205.04961	0.6
207.06554	0.2
209.04466	1.0
211.07558	0.2
211.94205	0.2
213.03912	4.0
219.06429	0.3
229.04942	2.4
231.04961	3.5
233.04408	0.7
247.05972	2.2
249.05890	1.4
257.01852	0.3
257.04434	2.6
273.05875	2.1
275.05478	5.6
283.09573	0.3
291.07227	2.9
293.06485	0.3
308.10901	0.2
309.09653	4.4
310.09988	0.2
311.09064	0.3
329.10303	0.8
335.07010	0.1
343.04416	0.2
361.05450	2.1
379.06470	0.5
410.70490	0.2
411.07339	0.7
421.07111	0.3
427.08643	1.5
437.10815	0.9
439.09222	0.2
456.46298	0.2
457.10123	0.3
479.18665	0.4
480.18765	0.4
839.97028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.5
67.01855	2.0
67.05515	0.2
68.99792	0.8
69.03423	7.5
69.47458	0.5
69.47822	1.1
71.04985	1.1
79.76805	0.2
81.03412	14.0
83.04955	0.3
85.02901	7.2
87.00816	2.3
91.05471	14.2
93.03407	1.4
94.26068	0.2
95.04961	0.5
97.02885	23.6
99.04456	3.3
101.16496	0.2
105.01856	1.4
108.04443	0.6
109.02868	14.8
111.04428	6.0
117.03410	0.3
119.04933	31.5
123.04388	0.2
126.05490	0.4
127.03905	45.6
128.04190	0.3
129.01820	0.6
131.04936	0.3
135.04472	0.3
137.02335	45.8
137.03421	2.9
138.02589	0.3
139.03888	15.8
145.02878	1.3
145.04932	2.6
147.04395	100.0
148.04718	0.9
151.03900	1.0
155.03377	12.0
163.03844	2.3
165.01813	0.4
165.05481	0.8
167.03386	12.7
169.04944	0.7
177.05472	3.0
179.03499	0.3
181.04965	0.8
185.04388	0.4
187.06000	7.3
191.03357	0.6
191.07053	0.3
195.02898	0.3
201.05518	2.0
205.04968	0.9
209.04433	1.9
213.03925	6.8
229.04947	3.8
231.02812	0.5
231.04979	5.6
233.04436	0.7
247.05998	3.2
249.05972	1.8
255.06711	0.5
257.04391	3.8
273.05954	3.4
275.05466	8.1
291.06818	5.4
293.06439	0.6
308.11301	0.5
309.09680	1.9
321.06155	0.4
343.04785	0.3
349.05374	0.5
361.05585	3.2
367.06223	0.3
369.11514	0.3
379.06635	1.4
411.07263	1.1
421.07507	0.4
427.08649	2.3
429.09860	0.3
437.10764	1.7
457.09735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.5
67.05495	55.6
69.03417	2.6
69.07054	13.4
71.04987	1.9
73.02903	3.5
74.20762	1.0
77.03923	1.2
79.05486	41.0
79.05946	2.1
81.03408	76.7
81.07048	58.9
83.04982	5.2
83.08616	19.8
85.02895	7.8
85.06532	2.3
87.46416	1.3
91.03948	5.0
91.05468	31.6
93.07035	42.0
95.04955	26.2
95.08595	42.9
97.02894	4.4
97.06516	3.2
97.10176	7.1
98.23470	2.1
99.08098	1.8
102.42926	1.1
103.05474	1.6
105.04486	1.8
105.07014	28.0
107.04947	5.7
107.08576	27.0
109.06509	3.3
109.10147	19.4
111.04419	1.3
111.08063	6.1
113.09705	1.1
115.05413	1.6
117.06998	9.0
119.04913	2.3
119.08566	25.4
121.06493	4.4
121.10125	23.2
123.04417	2.6
123.08035	2.2
123.11680	6.5
125.09605	4.5
128.06223	1.4
129.07013	9.9
131.08549	15.3
133.06470	3.1
133.10126	16.2
135.08052	1.4
135.11670	12.6
137.09605	2.8
139.11240	1.1
141.07022	1.2
142.07767	2.2
143.08572	2.8
145.04941	2.9
145.10088	8.2
147.04355	1.3
147.08051	4.3
147.11662	13.9
149.09570	6.2
149.13263	5.0
151.11230	1.4
157.10097	9.6
159.11656	7.3
161.13234	5.9
163.06010	5.3
163.11154	3.9
163.14833	3.8
165.12782	2.9
167.48792	1.1
171.11688	1.9
173.13193	5.9
175.11186	6.1
175.14832	2.4
185.13248	3.0
187.14835	3.5
189.11191	3.8
189.16415	1.4
193.12224	22.2
199.14928	1.2
215.17967	1.4
227.12672	7.3
235.13121	2.5
243.20973	5.3
249.14893	1.5
259.13318	1.8
261.22107	19.1
267.15869	88.3
279.23193	1.7
299.23669	1.5
301.14352	1.7
301.21747	1.7
301.25217	7.2
309.16867	5.7
317.24692	3.9
333.16995	1.3
335.25772	100.0
336.26001	2.8
403.24518	1.6
421.25632	2.7
435.27151	2.9
435.32544	5.4
453.33636	7.2
460.11063	1.2
471.34717	5.4
509.36246	2.5
527.37262	75.9
528.37671	3.2
545.38318	80.0
546.38367	3.8
559.39502	2.9
569.38177	12.3
577.40765	2.1
611.38776	1.8
622.87476	1.2
623.39014	1.7
635.39063	5.0
653.40277	2.6
671.41193	4.4
689.42456	1.4
936.48853	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.5
69.03429	3.1
73.02929	2.7
74.38362	0.8
79.05495	1.8
81.03426	1.5
81.07047	3.8
85.02895	4.9
91.03958	2.9
91.05479	2.9
93.07041	3.1
95.04932	1.0
95.08609	1.1
97.02896	4.5
101.02389	1.4
105.06387	1.0
105.07054	3.1
118.03693	0.9
119.08620	0.9
121.10091	1.0
127.03881	2.0
147.11617	1.5
171.11761	1.5
184.29799	0.8
196.59621	0.8
243.08508	2.3
262.81931	0.8
302.43527	1.1
303.15463	1.0
347.09631	3.5
365.10849	1.3
405.13708	6.4
453.21335	1.5
465.20911	8.4
480.82281	0.9
484.09900	0.9
551.28320	3.2
607.32574	0.8
627.26373	7.6
713.33966	2.6
775.41412	1.9
893.72577	1.0
937.47400	100.0
938.47748	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	937.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.5
69.03429	3.1
73.02929	2.7
74.38362	0.8
79.05495	1.8
81.03426	1.5
81.07047	3.8
85.02895	4.9
91.03958	2.9
91.05479	2.9
93.07041	3.1
95.04932	1.0
95.08609	1.1
97.02896	4.5
101.02389	1.4
105.06387	1.0
105.07054	3.1
118.03693	0.9
119.08620	0.9
121.10091	1.0
127.03881	2.0
147.11617	1.5
171.11761	1.5
184.29799	0.8
196.59621	0.8
243.08508	2.3
262.81931	0.8
302.43527	1.1
303.15463	1.0
347.09631	3.5
365.10849	1.3
405.13708	6.4
453.21335	1.5
465.20911	8.4
480.82281	0.9
484.09900	0.9
551.28320	3.2
607.32574	0.8
627.26373	7.6
713.33966	2.6
775.41412	1.9
893.72577	1.0
937.47400	100.0
938.47748	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	941.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
74.56849	0.7
75.04474	1.1
77.03926	0.9
79.05482	2.6
89.03929	2.2
91.05485	6.1
93.03406	9.0
95.04958	1.7
105.04527	0.7
107.04956	14.6
111.04440	46.8
117.03474	0.8
119.04948	3.7
123.04438	1.5
123.77708	0.6
124.61987	0.7
131.04955	1.3
134.06126	0.8
135.04408	47.1
137.02327	4.7
137.05963	2.2
139.03894	82.4
140.04230	1.0
146.39716	0.6
147.04431	4.4
153.05466	7.3
153.06769	1.0
155.08549	0.6
159.04471	1.0
161.02278	1.0
161.05981	2.0
163.03908	20.8
163.05318	1.4
165.01880	0.9
165.06998	8.4
167.03394	1.0
169.06538	1.2
175.03934	1.6
177.05507	1.5
177.06882	1.2
179.03410	0.8
181.04951	69.4
181.06328	2.8
182.05273	1.0
185.06027	1.0
187.03905	3.8
191.03394	1.2
193.06461	4.3
194.53508	0.6
195.06523	3.9
196.05115	0.8
197.05971	2.6
199.07607	0.8
203.03369	10.8
205.04895	2.9
205.06522	4.0
209.04419	1.8
209.06131	1.4
211.07542	3.8
212.04604	1.4
213.01833	3.1
213.05586	0.8
221.05952	22.5
221.08069	1.5
222.06532	1.2
223.04034	1.2
223.07718	4.1
224.04619	1.1
225.05421	10.9
227.03535	0.9
227.07076	2.4
231.02852	5.2
231.04843	0.9
233.05992	2.1
234.06660	0.7
237.05521	3.5
238.06204	0.9
239.07031	9.0
240.04233	1.8
241.04956	2.0
243.06606	0.8
249.05460	26.1
250.06161	2.2
251.03247	1.6
251.07014	4.2
252.04086	3.6
253.04968	10.6
255.06514	8.5
256.07141	1.4
257.04379	1.0
258.05441	0.9
259.03839	1.3
261.05515	1.6
265.04999	3.8
266.05713	2.4
267.03467	1.1
267.06497	15.1
268.03580	2.6
268.06931	0.9
269.04413	4.5
269.07938	1.5
271.06042	2.6
272.06763	0.7
277.04950	23.8
278.05670	2.3
279.03378	1.0
279.06503	4.8
281.04422	14.0
282.04819	0.8
283.06030	4.6
284.03152	1.9
285.03815	1.7
285.07419	1.3
287.05511	1.4
294.05283	1.0
295.05991	76.7
296.06317	2.5
297.03928	4.8
297.07541	5.4
299.05655	0.9
299.09128	1.6
300.06305	3.3
301.07001	1.6
305.04376	3.7
309.07462	0.9
310.04697	1.5
311.05444	4.2
312.06158	2.2
313.06979	6.7
315.08618	2.1
319.08362	0.7
321.07559	0.9
323.05481	100.0
324.05923	3.2
325.07095	2.8
327.05145	0.7
329.06467	1.0
337.07071	1.3
339.04849	3.4
340.05762	2.5
341.06433	6.9
343.08072	10.2
353.06525	1.9
356.04886	0.9
361.09131	3.7
365.06546	2.2
371.07559	24.4
372.08066	1.3
389.08658	3.4
395.84003	0.9
403.10217	11.8
411.07028	1.1
421.11298	1.9
447.10944	1.5
475.10071	1.0
493.11285	5.5
521.10693	10.7
522.11072	1.1
909.19171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.6
69.03428	3.0
69.07080	0.6
70.29025	0.3
71.01341	0.3
71.04978	0.4
73.02914	3.4
79.05487	2.7
81.03407	2.1
81.07037	2.9
83.04980	0.4
85.02892	5.6
87.04443	0.6
91.03954	3.8
91.05446	1.7
93.07031	2.3
95.04964	0.7
95.08598	1.8
97.02878	5.0
98.22625	0.7
98.23331	1.6
99.04471	0.9
101.02378	1.6
105.04472	0.4
105.07044	1.1
107.04978	0.4
107.08585	1.0
109.02871	0.6
109.06535	0.5
109.10175	0.8
115.03918	0.4
119.08576	0.9
121.10143	1.1
127.03909	1.9
129.06996	0.4
131.08549	1.0
133.10104	0.8
135.11694	0.4
145.04988	0.6
147.11746	0.6
149.09645	0.7
175.11195	0.4
176.56844	0.3
185.04253	0.9
193.12308	0.7
203.05322	0.6
243.08421	1.7
256.80051	0.3
283.15085	2.6
335.25903	0.9
339.17850	0.5
347.09467	2.4
363.09003	0.5
365.10791	0.7
405.13629	5.3
501.22964	5.5
519.29211	6.7
617.40900	0.4
663.28223	3.3
681.34399	7.5
681.45306	0.6
682.36023	0.5
711.55603	0.4
771.09644	0.4
779.45319	2.4
941.50623	100.0
942.50769	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	944.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99791	6.8
69.14223	3.8
72.94640	0.6
79.01825	0.7
79.05457	0.6
81.03407	2.6
89.03897	0.6
90.55457	0.6
91.05487	1.1
93.03389	1.7
95.05003	1.3
107.01298	1.0
107.04942	2.2
111.04449	7.3
117.03355	0.9
121.02856	18.1
124.64051	0.5
135.04416	8.4
137.02339	1.1
139.03889	12.6
143.05016	1.2
145.02837	0.7
149.02332	19.0
151.03922	0.8
153.05412	1.6
163.03888	17.4
177.01819	51.6
178.02217	0.7
181.04950	9.3
187.03905	2.0
191.03398	1.6
205.04814	0.9
205.06517	1.5
209.04436	100.0
210.04707	1.8
221.05925	2.3
223.07539	3.7
231.02832	6.9
233.05917	1.1
239.06920	0.7
249.05508	5.8
251.07001	4.7
255.06389	0.6
267.06506	2.3
269.08032	4.5
277.04831	2.8
295.06015	5.9
313.07083	3.0
323.05481	8.4
341.06598	2.9
464.20923	0.6
521.10559	9.2
894.75757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	2.0
69.07088	2.0
69.90123	0.6
79.05519	1.0
81.07069	3.2
83.08636	0.9
91.05466	1.8
93.07099	0.9
93.64314	0.7
94.66356	0.8
95.08633	2.5
107.08633	1.0
107.68152	0.7
109.10230	1.4
119.04938	1.5
121.10168	1.0
122.88910	1.0
125.67665	0.9
135.11722	0.9
147.04381	7.6
165.05537	0.8
191.29013	0.7
228.30452	0.8
291.19223	5.3
293.20795	1.1
334.23880	0.7
345.65021	0.7
346.15125	0.8
347.22186	2.6
349.23593	1.7
455.24078	5.6
457.25818	1.5
511.26877	1.7
513.28546	1.0
616.11182	0.9
617.43683	2.0
781.48694	4.8
945.53241	100.0
946.53430	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	947.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.5
69.07063	1.0
69.81880	0.7
69.82235	0.6
71.04947	0.5
75.65913	0.3
79.05495	0.9
79.88425	0.3
81.07048	1.8
83.08640	1.0
86.78312	0.3
91.05492	0.9
93.07053	0.7
95.08605	1.6
97.10195	0.7
105.07063	0.3
106.29420	0.3
107.08618	0.4
109.10167	1.0
110.26609	0.3
119.04932	0.8
121.10155	0.3
133.10170	0.5
144.27751	0.3
147.04408	3.9
241.32956	0.3
293.20798	2.6
327.25269	0.7
349.23605	1.7
457.25540	4.4
504.17395	0.3
513.28522	2.4
619.45349	1.1
782.67706	0.4
783.50055	6.1
947.54797	100.0
948.54919	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	948.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	2.5
69.24006	0.9
71.04977	0.2
73.02919	0.3
77.03925	0.3
78.46243	0.1
79.05493	1.6
81.03410	1.7
82.41352	0.2
85.02898	6.3
85.06533	0.6
95.04964	2.5
97.02875	1.4
99.04456	0.7
103.03944	0.4
105.04508	1.1
107.04945	100.0
108.05272	0.9
109.02870	3.5
127.03902	5.8
133.04919	0.2
139.03911	0.2
145.04961	1.5
145.08618	0.6
169.04973	1.8
175.97408	0.2
177.01622	0.2
183.74843	0.1
187.05986	2.4
191.09140	0.5
205.07056	16.2
213.09200	0.7
220.50626	0.2
290.40024	0.2
297.13141	0.3
311.11298	0.4
314.74518	0.1
349.11423	0.3
359.13470	0.2
367.12228	1.0
377.14243	0.4
395.15396	0.5
594.27087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01852	1.0
67.05483	0.6
68.99780	0.5
69.03422	3.8
69.22783	0.5
69.23196	0.8
71.04976	0.6
72.20197	0.2
80.49197	0.2
81.03408	9.1
85.02898	4.4
87.00818	1.3
91.05470	10.4
91.87939	0.2
93.03394	1.0
95.04954	0.5
97.02882	13.4
99.04444	2.2
105.01823	1.0
105.04482	0.2
108.02079	1.0
108.04472	0.7
109.02865	10.5
110.03632	0.2
111.04447	1.9
115.03914	0.2
119.04932	21.8
120.05227	0.3
123.04433	0.3
125.05966	2.2
126.05529	0.5
127.03903	25.1
129.01765	0.2
139.03891	5.4
141.05455	1.1
145.02892	0.2
145.04965	1.7
147.04393	100.0
148.04720	1.0
151.03894	50.4
151.04968	3.7
152.04280	0.4
163.03922	1.0
165.05470	3.3
167.03386	3.0
169.04945	7.5
175.03841	0.2
177.05482	0.6
187.05995	4.1
201.05489	1.0
203.03362	0.3
205.04919	0.3
209.04417	0.9
213.03914	4.3
213.05800	0.4
229.04951	2.0
231.04910	3.9
233.04404	0.7
246.62354	0.2
247.05936	1.5
249.06032	0.8
257.04419	2.1
273.05832	1.8
275.05447	3.6
289.06998	0.4
291.07233	2.9
291.08383	2.4
309.09641	4.4
317.06506	0.3
361.05429	1.4
363.07080	0.3
379.06412	0.4
381.07990	0.4
425.08823	0.6
437.10959	0.9
441.10281	3.7
563.03009	0.2
598.96484	0.2
814.46533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01852	2.1
67.05499	0.9
68.99771	0.6
69.03423	5.8
71.04982	1.2
81.03408	13.1
81.87232	0.3
83.05022	0.2
85.02896	6.0
87.00838	1.6
91.05470	14.1
93.03403	2.3
95.04960	1.2
97.02882	23.7
98.22601	0.5
99.04453	3.3
105.01850	1.0
108.02069	1.7
108.04485	0.6
109.02869	14.0
110.03677	0.4
111.04439	3.7
119.04932	29.4
120.05288	0.4
121.02895	0.3
125.05981	3.4
126.05502	0.4
127.03903	41.7
129.01822	0.4
131.04886	0.4
135.04384	0.3
136.01566	0.3
137.05975	0.4
139.03883	8.2
140.04277	0.3
141.05449	1.6
145.04921	2.1
147.04391	100.0
148.04741	1.2
149.05949	0.3
151.03894	83.3
151.04965	6.3
152.04268	1.1
163.03894	1.3
165.05489	1.2
167.03363	3.8
169.04945	13.5
177.05472	1.1
179.03333	0.4
181.04929	0.4
183.07983	0.3
185.04475	0.6
187.05992	7.5
187.07552	0.5
201.05467	1.6
205.04985	0.7
209.04411	1.4
213.03920	6.9
213.05785	0.5
229.04897	2.4
231.04961	4.5
231.07037	0.4
233.04398	0.6
247.05971	1.7
249.06105	1.2
255.06604	0.5
257.04407	3.4
273.05814	2.2
275.05457	6.2
289.06992	0.5
290.09436	0.3
291.06808	5.3
308.11359	0.6
309.09610	1.9
333.06064	0.5
361.05484	2.3
379.06552	0.9
380.51331	0.3
381.08109	0.5
399.28360	0.3
411.08633	0.3
421.07599	0.6
425.08664	0.6
437.10455	1.4
441.10263	6.4
443.09726	0.3
457.09482	0.3
458.18649	0.3
940.56213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.5
69.03425	1.2
69.40740	1.2
71.01345	0.5
71.04988	1.9
71.79716	0.2
79.05489	0.3
81.03413	0.7
83.04972	48.4
85.02895	100.0
86.03226	0.6
87.04450	1.6
89.03900	0.9
91.05470	3.9
92.60616	0.2
93.83112	0.2
95.04982	0.6
97.02895	0.9
99.04456	1.2
103.05472	0.5
105.07013	0.8
109.02880	0.3
109.06529	0.5
111.04433	27.1
113.06008	0.8
115.77257	0.3
117.03362	2.9
117.05485	0.5
119.04932	3.9
122.03615	0.3
127.03904	6.0
129.05466	15.4
129.94638	0.2
131.04903	0.5
133.02852	1.0
133.06477	0.6
135.04410	0.8
135.58968	0.2
136.05234	0.4
137.05965	9.6
145.02823	7.8
145.04672	0.3
145.06433	0.4
147.04382	2.5
149.05969	1.7
149.74243	0.3
150.06714	0.4
151.03845	0.5
151.07524	7.5
153.05444	0.5
161.05975	2.4
162.06741	2.0
163.07491	0.5
171.06503	87.6
172.06873	1.0
173.06009	0.7
175.03931	1.2
175.07565	0.5
177.05455	14.0
179.07024	4.8
180.07791	0.3
187.06036	0.5
189.05696	0.5
189.07539	5.1
189.09113	0.5
193.08563	0.3
194.67325	0.3
201.05444	5.0
203.07039	0.3
213.05429	0.4
219.06490	0.5
229.07112	0.3
231.06508	0.9
231.08597	9.0
233.05904	0.4
234.06612	0.5
237.09138	0.4
247.07446	0.4
251.07109	0.2
259.09677	0.8
262.06207	0.3
263.07767	0.2
265.08707	0.7
277.08276	0.5
277.10968	0.6
292.07135	0.3
293.08020	0.4
297.11224	0.3
305.08188	1.4
307.09543	0.5
309.11215	1.0
311.12881	0.2
323.08994	0.8
325.10669	4.3
337.10666	3.5
339.10553	0.4
341.10132	0.4
343.11707	0.5
355.11676	8.3
363.10837	0.5
371.11804	0.3
373.12704	1.3
467.13159	0.9
482.79547	0.3
487.15915	1.1
499.15842	1.2
517.16833	0.6
535.17737	0.8
543.20367	0.5
649.33936	0.3
756.08362	0.3
765.25665	0.5
786.79742	0.3
794.53882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.4
69.03424	1.2
71.01341	0.4
71.04989	1.2
81.03408	0.9
83.04973	46.9
85.02895	100.0
86.03212	0.4
87.04458	1.3
89.03896	2.0
91.05465	2.5
95.04958	0.8
97.02868	1.4
98.22680	1.1
99.04449	1.0
101.06003	0.4
103.05475	0.6
105.07014	0.5
109.02866	0.5
111.04432	27.9
115.05404	0.4
117.03368	5.9
117.06969	0.4
119.04935	2.1
119.08540	0.3
121.06504	0.3
127.03896	6.7
128.06239	0.4
129.05463	12.5
129.06958	0.5
131.04907	0.9
133.06499	0.4
134.03616	0.4
135.04387	1.1
137.05977	4.8
145.02832	18.5
145.06497	0.5
146.03218	0.4
147.04372	1.2
147.08028	0.8
149.05974	3.0
151.03909	0.3
151.07524	7.5
153.05461	1.3
160.05217	0.5
161.05931	0.7
162.06728	0.3
163.03897	0.7
163.07510	1.7
165.09070	0.4
171.06505	84.2
172.06786	0.7
175.07533	6.5
177.05446	46.3
178.05856	0.7
179.07028	3.2
181.08467	0.5
187.07494	0.5
189.07536	1.0
189.09070	0.5
191.07062	0.5
193.08600	1.9
195.06505	1.0
199.07556	0.5
201.05440	0.9
203.07022	0.8
205.08562	1.6
211.07509	0.3
215.06943	0.7
217.08592	0.9
219.08070	0.3
227.06923	0.3
229.08585	0.4
231.08562	14.9
233.07971	0.4
235.07463	0.4
235.09578	0.7
241.08554	0.3
243.10158	0.6
247.09630	0.7
247.61830	0.3
259.09625	3.4
267.10257	0.4
275.09033	0.4
277.10739	2.3
279.08298	0.4
279.10446	0.4
299.12796	2.2
309.11151	0.4
311.12778	2.1
321.09683	0.8
325.10977	0.3
329.13770	0.6
339.10611	3.8
355.11609	0.7
381.11560	0.7
407.13373	0.8
411.44153	0.3
425.15823	0.6
439.17557	0.3
471.16400	1.0
487.15668	0.9
489.17377	0.7
495.16647	0.5
499.15121	0.3
717.22992	0.4
740.23358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	9.8
69.03427	16.8
69.07068	25.3
70.92368	1.4
71.01331	1.8
71.04980	5.7
73.02921	1.5
73.06553	4.1
79.05480	16.1
81.03407	12.8
81.07050	10.2
83.04974	67.1
85.02901	17.8
85.06535	1.4
91.05463	19.9
93.07030	12.6
95.04958	14.6
95.08606	7.0
97.02892	6.5
97.06523	54.3
99.04450	16.9
101.06030	2.5
103.05460	1.7
105.04512	1.9
105.07023	58.5
105.07732	2.9
107.04958	9.6
107.08578	15.2
109.02877	7.0
109.06522	13.8
111.04446	4.8
111.08067	1.3
113.05996	2.7
115.05513	1.5
117.07013	10.6
119.04936	4.9
119.08565	14.0
121.06496	37.2
121.07322	2.4
121.10111	2.0
123.04369	1.9
123.08066	4.0
125.05983	100.0
127.03111	1.2
127.03904	6.3
128.06224	3.1
129.05516	1.9
129.07007	4.0
130.07794	4.8
131.08559	18.5
133.06470	11.8
133.10138	6.6
135.04431	4.5
135.08029	3.2
135.11685	4.1
137.05969	13.9
139.03947	1.4
139.07510	3.5
141.05569	1.2
141.06953	3.7
142.07771	2.7
143.07022	92.5
143.08554	5.1
144.05731	1.5
144.09355	4.1
145.02768	1.7
145.06473	10.8
145.10112	89.5
147.04335	1.4
147.08020	4.4
147.11661	4.3
149.05974	3.3
151.07524	17.1
154.07787	4.3
155.08540	5.0
156.09341	2.9
157.06485	2.2
157.10115	3.2
158.07289	9.7
159.08087	8.6
159.10359	2.1
159.11676	33.7
160.05133	1.2
161.06030	1.5
161.09624	3.5
161.13281	1.6
163.03937	2.6
163.07501	2.7
163.11176	24.4
163.12442	2.0
169.10109	9.9
171.06517	8.4
171.08052	3.7
171.11685	3.2
172.08806	2.9
173.09605	73.1
175.07536	4.2
177.05486	4.5
177.12735	14.5
178.27385	1.1
179.08583	2.5
181.12292	1.5
182.07210	2.0
183.11656	1.5
185.09639	1.6
187.07559	2.5
187.11169	66.7
189.07600	1.4
189.09135	2.9
189.12766	3.4
191.10657	27.9
197.09561	9.4
203.10651	1.6
205.12227	76.1
209.11694	12.9
215.10654	77.8
223.13293	3.3
231.08548	2.3
233.11700	95.1
234.12123	1.9
249.11145	2.0
251.12767	48.9
251.15358	2.6
255.12286	2.2
267.12302	2.1
269.13754	7.2
299.12891	2.1
313.14301	1.9
317.13693	1.3
323.12857	2.8
329.13730	1.4
341.13742	5.4
349.16681	1.7
359.14850	5.3
377.15872	10.9
395.16907	13.0
413.18011	45.4
575.23364	2.8
713.03247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	8.9
69.37725	6.5
71.30170	8.3
79.05476	16.0
81.07053	15.5
83.04972	24.6
88.25739	6.6
91.05470	63.5
93.07038	30.2
95.04957	17.6
95.08593	11.9
97.06542	9.6
101.05994	8.9
103.05457	6.6
105.07014	86.8
107.08561	19.7
109.06529	17.3
115.05418	9.1
117.07012	34.2
119.08587	26.0
121.06470	6.3
128.06219	26.6
129.06987	43.4
130.07796	12.9
131.08545	60.4
133.06480	19.5
133.10114	20.1
135.08020	12.8
142.07756	11.4
143.08557	64.8
144.09363	6.9
145.06407	12.1
145.10112	100.0
147.08054	12.9
147.11670	7.1
149.09608	10.7
153.09038	6.9
155.08531	26.5
156.09341	12.7
157.10120	27.2
159.08160	7.6
159.11685	20.5
161.09586	26.6
163.11183	11.4
171.11693	30.4
173.09630	61.9
173.13216	7.7
175.11191	9.8
183.10019	6.2
183.11665	7.2
185.13205	31.8
187.11140	13.2
189.12738	17.6
191.10678	28.4
195.11671	8.8
201.12778	17.8
203.14354	32.6
213.12726	44.6
219.13828	17.6
231.13771	80.1
249.14832	40.6
250.25124	6.5
267.15912	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	954.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	65.8
69.03423	2.6
69.07065	14.0
69.09028	5.6
69.09448	6.5
71.04968	1.8
73.02905	4.0
75.70355	1.6
79.05042	3.3
79.05486	50.0
81.07050	66.7
83.04980	1.9
83.08608	5.2
85.02895	17.2
91.03958	10.0
91.05470	33.1
91.05991	3.0
93.07033	48.0
95.04436	1.7
95.04948	10.3
95.08595	39.1
97.02876	12.0
97.06518	1.6
97.10169	3.0
98.22757	3.4
105.04471	2.2
105.07012	23.5
107.08586	22.4
109.06497	1.6
109.10151	16.8
117.06998	11.1
119.08561	16.1
121.10111	15.3
123.11715	6.8
124.77798	1.8
127.03883	3.1
129.07021	2.0
131.08549	14.2
133.10135	11.2
135.11685	10.0
143.08595	2.6
145.04950	4.7
145.10123	9.3
147.11681	9.0
149.13266	7.4
159.11687	4.7
161.13252	6.4
163.06024	5.1
163.14798	3.2
173.13239	5.7
175.14827	3.4
185.13310	1.8
187.14886	2.7
189.16386	2.0
199.14914	2.0
241.19640	2.7
243.21062	4.9
259.20633	9.7
261.22107	16.2
263.23752	2.0
317.24756	2.8
333.24158	7.8
335.25775	100.0
337.27267	14.1
361.07687	1.6
521.43488	2.3
548.25415	1.8
595.47302	17.7
613.48376	21.8
873.91809	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	95.8
69.03409	6.0
69.07060	22.8
69.09085	4.1
69.09508	4.8
71.04979	3.3
73.02900	6.8
77.03924	2.4
79.05486	76.2
81.03402	2.7
81.07049	100.0
83.04995	2.3
83.08615	11.6
85.02891	29.5
85.06569	1.6
91.03951	14.1
91.04877	1.4
91.04993	0.7
91.05471	45.5
93.07036	82.9
95.04962	10.6
95.08598	74.6
97.02882	15.2
97.06541	3.6
97.10179	5.8
98.23513	3.1
99.08076	2.0
103.05466	1.6
105.04519	5.8
105.07020	37.6
107.08582	37.4
109.06503	3.7
109.10140	29.1
111.11772	1.4
115.05467	1.8
115.50394	1.2
117.07021	13.1
119.08569	26.6
121.10136	30.5
121.10993	2.3
123.08099	2.4
123.11700	7.9
124.68840	1.2
125.09619	1.2
127.03927	5.3
129.07043	3.2
131.08553	20.0
133.10115	17.6
135.11685	16.1
137.13234	2.7
143.08545	3.3
144.09372	1.9
145.04944	5.8
145.10101	15.0
147.11667	14.1
149.13237	11.1
151.11203	1.6
155.08720	1.1
157.10129	3.2
159.11676	12.2
161.13246	9.6
163.06001	6.5
163.14832	5.0
169.10078	1.5
171.11713	3.8
173.13200	9.0
175.14845	4.6
177.16382	3.0
185.13289	2.1
187.14851	4.4
199.14870	1.4
201.16373	2.5
231.00536	1.5
241.19717	2.8
243.21075	6.5
259.20563	9.5
261.22153	17.9
273.22150	1.5
317.24670	2.7
333.24222	4.5
335.25766	77.0
337.27310	11.4
418.74655	1.3
543.40253	1.7
595.46924	14.2
613.48145	18.8
898.05011	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23548	1.5
81.03371	0.3
83.05003	0.8
85.02914	1.1
91.05491	1.4
93.63793	0.3
110.46288	0.3
111.04476	0.9
115.75244	0.3
117.03414	0.7
119.04977	1.0
121.06471	0.4
122.61697	0.3
137.05930	0.5
145.02843	2.1
149.02150	0.7
151.07530	2.3
175.03813	0.6
175.07660	0.3
177.05428	2.7
178.26973	0.3
191.06888	0.4
193.04739	1.8
211.05646	1.7
216.03905	0.5
219.06358	0.4
224.53154	0.3
231.06740	0.3
253.06900	0.5
287.09201	0.3
299.09131	0.8
317.09885	1.4
341.09949	0.4
377.08411	0.5
387.14291	1.1
415.13928	1.2
429.15305	0.4
499.15967	0.5
511.15430	0.6
513.13861	0.4
527.15417	0.6
528.15900	0.6
529.16974	1.1
531.18793	0.4
541.16998	0.5
639.20264	0.4
715.21674	1.4
725.24023	1.4
729.23468	0.6
743.21637	1.0
757.23529	1.9
771.24530	0.9
955.31934	100.0
956.31915	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	955.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87459	1.0
91.05452	1.1
95.04927	1.0
98.23293	0.8
104.68970	0.5
105.06968	1.7
114.08575	0.5
117.06949	1.5
118.96500	0.6
123.04151	1.6
128.06207	0.9
131.08511	1.4
143.08499	1.4
145.10071	1.1
155.08498	0.8
223.09387	45.0
255.82318	0.6
271.12997	2.7
289.14050	87.0
290.14426	0.8
330.16730	1.3
489.24530	100.0
490.24802	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.9
69.03409	1.2
69.26245	1.2
71.01363	0.4
81.03407	1.1
83.04972	48.9
84.05322	0.3
85.02895	100.0
86.03226	0.5
86.64314	0.2
87.04475	1.2
89.03905	1.8
91.05456	0.3
97.02892	1.0
99.04440	0.5
101.06000	0.5
109.02863	3.1
111.04430	31.5
117.03366	5.2
119.04934	0.4
127.03896	6.0
129.05466	13.4
133.93280	0.2
134.03629	0.4
135.04379	0.3
145.02831	18.8
149.05943	2.1
149.15926	0.2
151.07530	1.4
153.05455	3.0
161.05896	0.3
162.07578	0.2
163.03923	0.3
169.04936	0.7
171.06503	90.8
172.06868	1.2
177.05446	50.8
178.05780	0.6
179.07024	0.7
187.05991	0.4
231.08580	11.7
232.08798	0.2
235.09575	0.4
241.08508	0.4
257.08124	0.2
259.09622	2.2
261.07333	0.3
277.10678	1.4
285.07492	0.4
287.09171	0.3
319.11691	0.5
321.09641	0.6
337.12692	0.6
339.10730	0.5
345.13092	0.5
363.10648	0.3
381.11743	16.9
382.11871	0.4
407.13300	1.4
453.14990	0.3
531.18213	0.6
551.17419	0.5
579.17896	0.2
611.19556	4.7
885.79700	0.2
984.96985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01856	1.2
68.99801	1.8
69.81963	2.2
69.82325	1.9
75.04473	2.4
77.18784	0.9
79.05496	4.3
81.07091	0.8
85.02901	1.3
89.06026	1.0
91.05482	6.5
93.03404	6.3
95.04962	4.1
107.04949	14.4
109.06554	1.5
111.04434	23.5
115.14223	0.9
117.03397	0.9
118.84344	0.8
119.04934	2.6
121.02883	1.6
121.06509	3.8
123.04401	7.8
124.05196	1.1
125.05962	1.6
127.03918	2.2
135.04407	24.1
137.02353	6.3
137.05971	13.7
138.03059	1.2
139.03900	35.7
139.07558	3.2
140.04164	1.1
141.06952	1.5
141.78754	0.9
147.04416	1.8
149.05957	2.5
151.05020	1.1
152.04704	11.0
152.05980	1.4
153.05458	36.6
153.09018	1.1
154.06268	5.5
157.06548	1.4
159.04503	1.5
162.05479	1.1
163.03899	17.8
165.01781	4.6
165.06935	4.5
167.07036	55.9
169.06505	2.3
171.04544	1.0
172.26578	1.1
177.05510	1.2
177.06970	1.2
180.04204	7.0
181.04977	23.4
181.06494	3.7
185.06003	2.6
187.03978	3.3
193.06511	2.4
195.06520	100.0
196.07283	12.4
197.05991	2.2
201.23801	0.9
203.03406	2.9
205.06477	1.8
207.06522	1.2
209.06018	3.5
211.07542	2.5
212.06830	5.7
213.01846	6.4
213.05461	5.3
215.07117	1.1
221.05980	14.2
223.07463	2.3
225.05453	6.0
226.06175	2.6
227.06987	6.0
227.09105	43.6
231.00829	1.1
231.02766	5.1
233.06018	2.5
237.05405	10.3
238.06131	1.9
239.06940	6.4
241.04976	4.4
242.05711	4.3
243.06525	3.2
249.02942	1.4
249.05469	18.4
250.06166	2.1
251.07057	3.4
252.04173	1.6
253.05014	6.2
254.05650	1.6
255.06512	25.7
256.07257	1.7
257.08090	1.9
259.06091	2.0
263.07001	1.2
265.04999	7.7
266.05713	6.8
267.06512	13.3
268.07098	1.4
269.04410	3.1
269.07861	1.4
271.05933	5.3
273.07614	5.0
277.05002	11.5
278.05630	2.0
279.06436	4.7
281.04626	4.7
281.07602	1.1
282.05112	1.4
283.06000	16.2
284.03595	1.0
284.06781	4.0
284.71695	1.0
285.07632	3.4
287.09113	2.8
293.04459	1.3
294.05252	1.5
295.05997	35.3
296.06442	1.7
297.07431	3.5
299.05481	2.6
301.07138	4.8
305.04260	1.6
307.06097	1.3
311.05569	4.1
313.07169	2.8
315.08612	15.9
321.03894	2.9
323.05460	33.2
324.05869	1.2
329.06567	4.6
330.07281	1.9
337.07050	2.0
341.06436	5.6
343.08139	5.5
361.09293	2.2
365.07373	1.0
369.07578	1.4
397.06580	1.4
403.08026	1.0
411.06946	2.6
417.09720	1.3
435.10660	1.2
457.09097	2.0
463.10300	2.4
475.10291	1.3
481.11249	2.0
485.08670	4.9
491.09579	1.3
493.11102	2.7
503.09436	1.7
521.03290	1.5
521.10724	20.1
577.11163	2.7
595.11969	1.5
605.10486	3.6
623.11615	5.7
624.11438	1.2
629.32654	1.0
641.12555	3.1
651.11230	9.9
652.11700	1.7
655.14673	5.9
683.14130	14.2
701.15228	1.2
757.14557	1.6
803.16449	5.8
849.16327	7.4
870.36963	1.0
881.19104	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	963.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95411	0.2
81.03439	0.2
83.01124	0.2
83.04974	3.5
83.05431	0.3
85.02895	5.7
91.05469	4.1
95.04987	0.5
102.02650	0.2
108.28169	0.2
109.02883	0.2
111.04438	1.7
117.03367	1.4
117.48296	0.2
119.04928	2.7
127.04031	0.3
129.05519	0.9
134.92572	0.2
136.05222	0.5
137.06056	0.5
145.02829	2.8
149.06059	0.4
151.07535	7.0
151.08711	0.4
162.26295	0.2
167.03221	0.3
171.06523	1.4
173.05753	0.4
177.05450	4.3
188.40135	0.2
193.04718	3.7
199.03694	0.3
201.05252	0.3
209.04253	0.4
211.05823	0.4
219.06293	0.2
221.87198	0.2
253.06943	0.7
260.47623	0.3
261.07208	0.3
299.08969	0.3
317.09952	1.0
341.10004	0.4
359.10919	1.1
361.12604	0.4
377.12051	1.5
381.11655	0.8
397.11334	0.2
403.09991	0.4
453.61920	0.2
493.15012	0.3
511.15894	0.6
539.17444	0.3
547.17853	0.3
553.16284	0.2
571.17871	6.0
607.19800	1.0
617.18182	0.2
637.19012	0.3
741.23669	1.0
776.39990	0.3
786.24646	0.4
799.24738	0.5
801.25641	9.5
802.26251	0.3
963.30902	100.0
964.31012	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	966.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01846	1.0
68.99801	0.6
69.03428	4.0
69.30652	0.9
70.99538	0.2
71.04989	1.0
73.02928	0.2
78.04713	0.4
78.15346	0.2
81.03413	11.0
82.75038	0.2
85.02896	4.2
87.00813	1.3
89.03909	7.2
89.04460	0.4
91.05515	0.3
93.03412	0.8
95.04965	0.4
97.02885	12.9
98.23461	0.4
99.04447	2.3
103.05463	0.5
105.01843	1.2
106.04171	0.3
106.06587	0.2
107.57649	0.2
108.04445	0.4
109.02871	10.0
111.04436	2.8
117.03371	21.1
119.04919	0.3
124.05221	0.2
126.05530	0.2
127.03905	26.1
129.01834	0.5
134.03651	1.2
135.04407	1.5
137.02338	27.1
139.03891	8.8
139.04973	0.4
141.43733	0.2
145.02837	54.4
145.04860	1.9
146.03227	0.8
147.02876	0.8
147.04430	0.2
149.05962	6.9
151.03880	1.1
155.03372	9.1
155.04646	0.4
162.03189	0.3
163.03891	2.8
167.03391	8.9
167.04832	0.4
169.04994	0.5
177.05455	100.0
178.05782	1.5
181.04999	0.5
185.04388	0.2
186.05446	0.6
187.06017	4.5
187.07562	0.2
191.03378	0.4
191.06992	0.2
195.06512	1.3
201.05492	1.2
205.04958	0.6
207.06499	0.5
209.04405	1.3
213.03918	4.7
219.06479	0.3
229.04945	2.1
231.04979	4.1
233.04419	0.8
247.06007	2.4
249.06009	1.4
257.04419	2.5
273.05994	2.0
275.05463	6.2
279.08530	0.2
291.07104	4.3
293.06564	0.4
303.08643	0.4
317.06302	0.3
321.06277	0.3
321.09668	4.1
339.10712	7.3
349.05432	0.4
361.05563	2.2
367.06351	0.2
379.06641	1.2
379.10742	0.2
381.38657	0.2
400.45993	0.2
411.06845	1.3
421.07590	0.5
427.08554	2.0
439.08560	0.3
467.05527	0.2
467.11569	1.3
647.19385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42277	0.9
75.04475	38.4
112.93429	0.9
123.04468	1.0
190.27469	1.2
191.87927	1.1
197.06137	1.1
203.68593	0.9
221.05879	1.4
226.08440	1.1
242.77882	1.0
245.39981	1.0
249.05415	2.2
251.07060	1.0
253.05016	1.6
254.08044	1.6
280.05994	2.0
284.09143	1.6
295.05997	3.0
312.08545	1.3
328.11661	1.2
334.10559	1.6
360.08511	5.1
361.09164	1.8
362.09943	2.6
363.10983	2.7
364.11673	2.1
372.08847	1.1
374.10156	2.3
375.10971	2.1
376.11502	1.4
377.12546	6.7
386.10419	1.6
388.08112	1.7
389.08673	2.9
390.09399	1.4
391.10355	1.7
392.11288	11.2
400.07849	1.6
402.09576	1.5
403.10480	12.9
404.11191	2.6
405.12064	2.1
406.12695	2.6
414.09412	1.8
418.12857	2.8
420.10818	13.3
421.11151	1.5
431.09961	3.6
434.12466	5.0
435.13245	5.9
446.12146	3.7
447.12958	1.5
448.10272	3.2
463.12567	39.5
464.13083	1.4
478.08609	1.3
478.14914	16.8
491.12015	25.3
509.12952	1.5
519.11407	2.2
627.17291	1.0
849.18756	4.8
864.20294	2.4
877.18066	2.1
892.20746	100.0
893.20850	6.8
967.25153	29.0
968.24738	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	967.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83781	1.1
70.39417	3.1
73.60085	1.0
75.04472	31.4
81.12226	1.1
123.04443	1.9
146.20781	1.0
165.62308	1.1
194.98886	1.1
225.05447	1.3
233.06010	2.2
249.05603	2.1
251.07047	1.3
254.08192	1.7
266.44034	1.1
277.04782	1.6
279.06332	1.4
280.05994	1.9
284.09402	1.4
295.06061	2.6
320.09219	1.3
334.10611	2.1
340.07956	1.3
346.10574	1.4
360.08652	5.4
361.08963	1.2
362.10150	2.2
363.10922	3.4
364.11752	1.6
374.10403	2.2
375.11176	2.4
377.12607	5.1
388.07947	2.6
389.09000	1.9
390.09537	1.7
392.11191	11.6
400.07767	1.4
402.09793	2.1
403.10507	10.3
404.11194	3.3
405.12189	2.1
406.12814	2.0
414.09717	2.1
418.12888	2.5
420.10516	14.5
431.10114	3.8
432.10956	1.4
434.12228	4.8
435.13177	5.5
446.12332	3.4
447.13275	1.8
448.10254	4.4
463.12607	45.0
478.14963	18.1
491.12057	24.9
519.11395	2.2
849.18542	2.0
864.21216	1.7
877.17700	3.1
892.20746	100.0
893.20642	5.4
967.07251	1.9
967.25317	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.8
79.05505	1.3
80.04998	0.9
81.03412	0.7
82.06590	0.9
85.02904	2.6
91.05454	1.4
92.05024	0.6
93.07046	1.6
94.06572	3.7
95.04976	0.8
95.07350	1.7
96.08133	5.2
97.02914	1.0
97.06512	0.7
106.06547	0.9
107.07379	1.1
108.04481	2.9
108.08116	9.5
110.09664	6.5
113.93545	0.5
116.04962	1.5
118.06517	1.0
120.04438	4.4
120.08087	7.0
122.06020	5.0
122.09677	0.9
124.07596	5.1
125.41076	0.7
127.03911	0.6
134.06030	2.5
136.07571	10.5
137.71614	0.5
138.05463	1.0
138.09117	10.3
143.56866	0.6
144.04446	2.9
146.05995	6.1
148.07568	3.6
150.09081	1.4
152.07103	2.1
153.46831	0.6
160.03931	3.7
162.05508	3.6
164.07091	1.9
166.08623	15.6
172.02435	1.1
172.03915	22.9
172.07474	1.3
174.05493	2.0
176.07028	3.7
182.09683	0.8
184.09938	0.8
185.72729	0.6
190.04976	17.8
192.06564	1.0
196.09891	0.7
197.10791	1.7
199.08572	1.1
199.12364	2.1
202.05115	0.7
204.06541	39.6
209.10777	1.4
210.09248	1.3
211.08719	2.4
211.12326	1.0
212.09409	1.7
213.10202	0.8
223.12363	1.8
224.09312	1.2
225.10211	8.7
226.10930	1.2
227.11778	13.1
229.13394	1.0
236.09372	1.6
237.10178	3.5
238.11072	2.0
239.11708	4.1
241.09738	1.5
241.13374	1.0
249.10265	2.0
250.11057	1.0
251.08192	1.0
251.11772	2.4
252.08932	0.8
253.09679	5.8
253.13417	0.8
255.11334	2.1
257.12827	1.1
263.08212	1.6
264.08908	3.0
265.09787	1.8
266.10553	1.1
267.11285	3.1
269.12817	16.3
270.10016	0.7
271.10727	9.1
273.12354	3.9
277.09750	1.2
279.11227	5.7
281.12747	0.8
282.10022	0.7
283.10703	5.8
284.11533	5.0
285.12396	6.0
286.13242	1.8
287.13873	14.1
287.16910	0.9
291.11356	0.9
293.06064	0.7
293.09204	1.1
295.10742	2.1
297.12302	9.2
299.13992	3.6
300.11731	0.7
301.12592	0.8
307.10922	2.7
309.12207	1.2
311.10461	1.4
312.14981	1.3
313.12732	1.4
314.12997	2.1
315.13815	1.6
316.10898	1.0
316.14532	1.7
317.15543	1.0
318.16467	0.7
321.08801	1.0
321.12122	1.0
323.10233	8.4
323.13696	0.8
325.11838	18.1
325.15369	0.7
326.16504	1.6
327.13617	3.0
327.17218	1.4
328.10834	2.8
328.14563	2.2
329.11508	0.9
329.15161	1.8
330.12546	1.3
330.16046	3.3
331.16882	2.2
337.12201	0.7
339.13812	0.9
340.14746	0.8
341.11871	1.6
342.12534	5.4
342.15564	0.9
343.12985	5.7
343.16516	0.7
344.14008	1.3
352.14413	0.8
353.12280	0.6
354.12354	1.2
354.16068	1.4
355.13461	1.7
355.17261	0.8
356.14014	6.7
357.14468	22.4
357.18997	1.1
358.15524	5.6
366.16376	0.7
367.13330	1.6
368.14084	0.9
369.15283	0.7
370.11658	1.0
370.15543	5.6
371.16385	2.2
372.17038	1.1
378.18048	1.8
380.13831	1.2
382.11728	3.5
383.12793	2.5
384.13141	5.5
385.14105	3.1
386.14859	2.0
386.19183	3.5
388.16641	0.8
390.17920	4.1
394.15308	1.2
396.17117	1.2
397.14691	0.8
398.14938	24.9
399.15762	32.0
400.16492	2.9
401.13593	0.9
402.18140	1.8
404.15848	7.2
412.16464	2.4
413.17163	0.6
414.18222	4.6
415.15771	0.7
416.15997	18.5
417.16437	1.3
418.17413	1.2
422.16635	1.5
428.15948	5.5
430.17606	4.2
431.18628	0.9
440.16110	9.9
441.16437	0.8
446.16980	7.7
452.45123	0.7
458.17081	31.0
459.17661	0.7
478.19525	1.9
487.17126	9.1
490.19666	9.3
519.19556	1.2
539.26770	1.1
541.24774	0.9
562.18054	0.7
565.24396	1.3
567.25751	0.8
569.23999	5.1
583.25366	1.1
593.24176	4.2
608.22308	1.2
611.24939	100.0
612.25427	4.9
620.22168	3.1
643.27509	40.5
644.27710	1.1
696.28503	0.8
737.28546	1.2
745.30713	1.3
755.28925	3.5
773.30133	51.5
774.31079	2.9
805.32672	12.9
806.33008	1.9
935.34528	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.2
71.40905	0.8
79.09802	0.7
81.03399	3.4
84.91311	0.7
85.02899	2.4
89.03927	2.7
91.05473	1.4
92.05012	0.8
93.07095	0.8
94.06572	4.8
95.07363	1.6
96.08121	4.1
97.02898	2.8
99.14470	0.7
103.05458	0.9
106.06567	1.4
108.04498	1.3
108.08129	8.3
109.02897	2.9
110.09673	6.2
111.04455	0.9
116.05002	1.2
117.03362	3.8
118.03741	1.0
118.06564	0.8
120.04476	3.2
120.08092	6.5
122.06003	4.7
122.09720	0.7
124.07571	5.7
127.03935	5.1
128.04231	1.4
132.04428	1.0
134.06021	3.0
136.07590	8.8
137.02324	4.6
138.02634	0.9
138.05589	0.8
138.09134	9.7
139.03964	2.3
144.04393	3.6
145.02835	9.7
146.03201	3.1
146.06007	4.6
147.04362	0.7
148.07545	3.3
149.05971	1.8
150.09097	1.2
152.07063	1.9
155.03450	1.4
160.03984	2.9
160.92279	0.6
162.05499	3.3
162.11365	0.7
163.04031	1.0
164.07129	1.6
166.08621	12.3
167.03415	1.5
168.08075	0.8
172.03937	22.0
174.05540	2.4
176.07115	2.8
177.05473	18.1
178.05862	3.7
190.04970	15.9
197.10811	1.6
198.09267	0.9
199.12314	1.5
204.06548	32.0
209.10715	1.7
210.09164	2.0
211.08730	3.2
212.09445	2.0
213.03839	0.9
213.10315	0.7
215.66048	0.8
224.09267	1.5
225.10208	8.4
227.11763	11.8
229.05028	0.8
231.05020	1.0
235.08752	1.2
236.09511	1.5
237.10280	2.8
238.10985	1.8
239.11830	3.1
241.09798	2.1
241.13412	1.4
249.10298	2.1
250.11053	1.4
251.08585	0.7
251.11864	2.9
253.09647	5.4
255.11331	1.6
261.10278	1.0
263.08194	1.1
263.11786	1.8
264.08942	3.9
265.09793	2.7
266.10583	0.8
267.11185	3.6
269.09622	1.2
269.12833	15.7
269.15717	1.3
271.10764	8.3
273.12216	3.4
277.09811	2.7
279.11304	5.1
281.09506	0.9
281.12766	1.4
283.10739	5.8
284.11435	4.5
285.12387	5.2
286.13052	1.4
287.13876	13.3
291.11325	1.5
295.10828	1.5
296.11380	0.8
297.12354	9.2
299.13953	4.2
301.12442	0.9
307.10880	1.7
309.12399	1.5
311.14267	0.9
312.15186	1.7
313.12881	1.2
314.12970	1.9
315.13943	1.6
316.11072	1.0
316.14539	2.6
317.15219	1.4
321.12448	1.7
323.10269	6.1
325.11801	18.1
325.15665	1.1
326.16757	1.0
327.13654	2.3
327.17410	1.3
328.10995	2.2
328.14380	1.7
329.15121	2.1
330.12558	1.6
330.16125	2.2
331.16995	1.4
332.18069	0.7
339.10370	1.3
341.11691	1.5
342.12466	7.1
342.15952	1.5
343.13000	6.3
343.16467	0.8
344.13986	1.7
354.16226	1.3
355.13400	2.1
355.17160	0.9
356.13956	7.3
356.17627	0.9
357.14441	22.4
358.15341	4.9
365.11313	1.5
367.13239	0.9
369.15265	1.3
370.11584	1.0
370.15479	4.9
371.16266	1.3
372.17120	1.9
378.17767	1.2
380.13977	1.1
382.11688	3.7
383.12506	1.6
384.13293	4.3
385.14304	2.3
386.14886	3.0
386.19070	1.0
390.18210	2.3
397.15115	1.3
398.14954	20.0
399.15753	24.8
400.16431	2.5
402.18146	1.3
404.15988	6.5
412.16702	1.0
414.18182	4.8
416.16040	16.6
422.16968	2.2
428.15961	4.1
430.17697	2.9
431.18323	1.3
440.16025	6.5
441.15396	0.8
446.17035	6.6
447.17505	0.9
458.17072	27.5
459.17377	1.1
478.19775	3.2
487.16983	8.9
490.19675	10.8
519.19543	1.6
520.20740	2.0
522.22247	4.6
541.24469	0.8
560.20093	0.8
565.24646	1.3
567.26276	1.5
569.24036	4.5
583.25903	1.4
590.20837	0.9
593.23749	4.0
608.22485	1.0
611.24963	100.0
612.25336	4.0
620.22266	4.7
643.27563	34.2
644.27948	1.6
652.24707	1.1
684.27521	1.2
707.62683	0.8
734.58026	0.8
737.28296	1.4
745.30731	0.8
755.28943	5.7
773.30151	55.6
774.30469	2.8
805.32782	8.8
917.34393	1.1
935.35120	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.376
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65614	2.2
79.05468	2.9
81.03424	2.9
82.94263	1.1
85.02892	2.9
89.03903	6.6
91.05511	2.4
94.06577	4.3
96.08128	4.3
106.06534	1.9
107.07346	1.7
108.08123	8.3
110.09684	5.2
117.03387	8.3
120.04488	2.0
120.08096	4.8
122.06023	9.7
122.09644	3.0
124.07594	4.2
135.04404	18.4
136.07587	14.3
138.09137	9.6
144.04417	2.3
145.02829	11.4
146.06010	7.5
148.07568	7.8
150.09120	8.3
152.07056	12.0
153.61937	1.3
163.03883	71.6
164.07057	4.8
166.08604	22.0
171.06677	1.4
172.03908	12.9
176.07019	1.5
190.04979	7.4
197.10786	2.0
198.11523	2.1
204.06534	17.3
210.11435	2.7
211.12233	3.3
212.09399	1.4
221.10718	1.3
223.08426	1.2
223.12331	3.5
225.10222	6.0
225.13940	1.2
226.10965	2.9
227.11812	1.9
235.12340	1.7
237.10202	5.2
238.10991	5.1
239.11729	7.4
243.71243	1.3
248.09425	1.9
249.10260	3.9
250.10934	3.6
251.11807	10.0
252.12616	2.0
253.09604	2.6
253.13441	3.8
255.11311	2.2
262.10938	2.6
263.08899	1.6
263.11688	12.4
264.08768	2.5
264.12631	3.1
265.09778	4.0
265.13235	7.2
266.10489	3.7
267.11258	13.5
269.12799	2.6
271.10675	1.7
271.14404	3.3
277.09650	2.4
277.13242	1.8
278.10388	3.1
279.11218	22.6
280.11920	4.3
281.12985	7.4
282.13422	1.4
283.10788	3.3
284.11572	7.9
285.12308	21.2
291.11279	10.2
292.12018	2.4
293.09534	2.2
293.12830	9.0
295.10751	3.4
295.14310	1.8
297.12323	28.7
298.13010	1.5
299.13855	4.8
307.10977	2.8
309.12323	12.4
310.12943	2.9
311.10214	3.5
311.13849	4.1
313.11884	2.3
316.14493	2.0
319.10910	7.1
321.12216	6.5
323.10199	7.6
325.11972	12.9
327.13272	4.6
337.11774	31.4
338.12350	2.0
339.13351	5.6
339.39377	1.4
355.12939	2.4
357.14392	7.3
358.15439	1.7
369.14349	4.1
384.17322	1.6
400.16611	2.3
404.19662	1.5
412.16898	1.8
430.17551	5.7
432.19302	3.4
436.18750	2.0
442.17459	1.5
446.20572	3.3
448.18680	14.3
449.19586	7.7
450.20038	5.7
460.18600	12.7
462.20175	4.1
472.18530	2.2
474.20087	3.0
476.17886	3.8
477.18823	5.8
478.19370	4.2
480.21454	2.6
490.19678	19.0
492.21207	5.0
522.22290	8.7
523.22595	1.7
567.26172	2.1
595.25305	7.9
613.26489	100.0
614.26270	5.9
622.70001	1.4
645.29254	9.3
649.19794	5.8
652.24469	4.0
658.24921	1.3
685.45111	1.5
773.27203	3.1
774.28284	5.5
775.30688	3.5
814.28247	15.4
815.28119	3.6
816.28668	4.7
837.10266	1.6
846.29907	3.9
847.31146	2.7
937.34186	8.3
944.06396	1.5
968.68317	2.0
969.33545	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	969.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.5
67.11757	0.5
68.78624	0.4
69.03426	3.7
69.73944	0.9
69.74317	1.0
73.02950	0.6
79.05504	1.8
81.03417	0.9
82.06581	1.1
85.02901	4.6
91.05479	1.9
93.05757	1.1
93.07059	2.5
94.06566	5.8
95.04947	0.8
95.07360	2.2
96.04516	0.7
96.08122	7.2
97.02863	2.6
99.04457	0.5
106.06511	3.1
107.07344	1.8
108.08105	14.4
108.08818	0.7
110.09673	10.3
116.04974	1.6
118.06503	1.2
120.04464	2.5
120.08096	11.9
121.08897	0.9
122.06026	9.5
122.09669	3.1
124.07576	7.0
127.03960	1.3
132.08128	0.8
134.06032	2.2
134.09637	0.9
136.07564	25.9
137.08444	0.9
138.05568	0.9
138.09131	17.3
138.10136	1.0
144.04442	2.9
146.05992	8.1
146.09700	0.9
148.07553	13.6
150.09131	9.8
151.06218	0.7
152.07063	21.2
158.06029	0.7
160.03995	1.5
160.07603	1.5
162.05479	2.6
164.07045	6.3
166.08623	42.7
167.09280	0.7
172.03926	25.5
174.05554	2.0
174.09174	2.1
176.07028	2.6
178.05170	0.6
179.28265	0.5
180.10255	1.3
182.08214	1.6
183.09187	0.7
190.04971	18.4
190.06622	1.0
191.05714	0.5
192.06587	1.0
192.10231	0.8
194.08174	1.4
196.09694	0.7
196.11342	0.6
197.10785	1.6
198.11465	3.3
198.70654	0.5
199.12268	1.1
204.06543	35.9
208.09741	0.8
209.10812	1.1
210.09702	0.5
210.11432	3.4
211.08769	0.7
211.12256	5.5
212.09494	1.6
212.13020	2.7
213.10281	1.3
213.13968	1.0
218.08209	1.5
220.09821	0.8
221.10757	1.1
223.08731	0.7
223.12257	4.2
224.09277	0.7
224.13039	1.2
225.10146	6.9
225.13881	1.3
226.10925	5.2
227.11810	5.5
229.09737	0.8
229.13397	2.2
234.11429	0.6
235.08635	1.6
235.12387	1.9
236.09419	1.6
236.13007	1.1
237.10190	7.8
237.13939	1.7
238.10936	5.7
239.11763	10.1
240.12627	1.6
241.09755	1.1
241.13399	1.4
242.10698	0.6
243.11272	1.3
245.12904	0.9
246.07672	1.4
248.09427	1.1
249.10233	7.2
250.10950	6.2
251.08080	1.3
251.11780	14.4
251.14204	1.0
252.08974	2.4
252.12505	3.1
253.09738	2.9
253.13397	5.2
255.11201	3.5
256.12024	2.6
257.12897	2.1
259.14569	1.7
261.10468	0.7
262.11057	2.2
263.08597	0.8
263.11765	17.2
264.08923	2.8
264.12524	3.6
265.09793	8.2
265.13403	9.4
266.10403	4.6
267.11249	17.6
268.12051	1.4
269.12756	6.4
271.10867	2.5
271.14447	5.5
273.12292	2.7
275.11798	1.2
277.09778	3.4
277.13409	2.0
278.10422	4.0
279.08203	1.2
279.11243	30.9
280.11996	5.6
281.09723	0.7
281.12787	10.3
282.10107	1.6
282.13641	1.6
283.10834	4.9
283.14301	1.9
284.11444	9.2
285.12308	34.3
286.12833	1.3
287.14023	2.1
289.15417	2.9
291.11273	16.2
292.11954	3.9
293.09366	2.3
293.12784	15.0
295.10880	3.9
295.14377	1.4
296.11502	4.9
297.12302	45.3
298.13010	3.4
299.13876	6.0
307.10785	4.1
309.12283	20.3
310.12973	4.7
311.10272	5.5
311.13928	5.8
312.11148	1.2
312.14630	0.7
313.11880	2.2
313.15268	0.6
315.13660	1.2
316.14499	0.7
319.10748	11.4
321.12311	11.5
322.12900	0.8
323.10275	10.7
323.13684	1.2
324.10953	1.3
325.11798	23.6
326.12704	1.0
327.13364	11.4
327.17188	0.7
328.14297	1.3
329.15207	0.8
330.15988	1.2
334.09186	1.1
337.11786	54.5
338.12405	2.9
339.13400	8.0
340.14264	0.9
341.11374	1.6
341.15115	1.5
343.12952	3.3
344.13971	1.0
344.17670	0.9
346.19061	0.8
348.20651	1.4
351.13336	1.2
355.13028	2.3
356.13968	1.0
357.14435	10.1
357.18381	0.9
358.15436	1.8
359.16080	1.7
360.17346	0.8
362.18909	0.7
366.89059	0.6
369.14377	5.2
370.15463	1.0
371.15982	2.6
372.16971	1.4
373.14139	1.6
374.14645	0.8
374.18765	1.0
382.15207	0.6
384.17249	1.1
385.13974	0.9
386.14713	0.8
388.16525	1.1
390.18103	1.9
392.19745	1.8
399.15591	2.0
400.16309	2.6
401.17175	0.9
402.18121	2.4
404.19922	3.8
406.17532	1.2
412.16571	1.5
414.18256	1.5
416.19830	1.7
418.17603	2.0
420.18921	1.1
421.20053	1.4
422.20590	1.9
430.17520	7.1
431.18542	1.0
432.19232	6.1
433.19577	0.8
434.20584	1.1
436.18713	1.4
442.17520	2.5
444.19250	2.0
446.20883	3.8
448.18555	14.3
449.19366	12.1
450.20187	12.5
460.18607	10.9
461.19141	2.2
462.20227	5.6
463.21039	1.8
464.21783	1.1
469.16052	0.9
472.18674	2.9
474.20398	3.7
476.17987	3.3
477.18866	3.8
478.19324	3.4
480.21402	2.6
487.16983	6.4
490.19669	21.6
491.20752	2.2
492.21307	7.2
504.21292	0.9
506.22321	1.2
519.19806	1.1
522.22394	12.1
522.30225	0.7
523.22705	1.2
567.26349	1.1
594.24408	1.9
595.25488	7.2
608.25989	1.7
611.24646	1.6
612.25146	3.3
613.26508	100.0
614.27100	2.1
622.23651	0.9
634.24182	2.2
636.25500	1.6
645.29108	24.3
652.24939	22.0
652.35974	1.2
653.25610	4.8
654.27289	2.6
684.27551	14.2
685.28223	3.3
686.28741	0.7
730.08557	0.5
739.29370	1.7
757.30939	3.5
760.96777	0.7
769.93707	0.7
775.31738	50.5
776.32068	1.3
778.27478	0.8
796.28809	2.1
807.34381	14.0
814.29871	5.3
815.30164	1.0
846.32605	1.1
919.33929	0.8
937.36938	3.6
969.37000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03959	0.4
79.05489	0.8
80.79672	0.3
91.05511	1.5
92.49207	0.4
93.03423	0.8
95.04993	1.1
99.48495	0.4
107.04942	2.3
111.04427	5.0
119.04939	0.7
123.04436	0.8
131.04973	0.4
133.02855	0.5
134.03696	0.4
134.06094	0.5
135.04393	4.3
137.02408	1.5
137.06009	0.6
138.03145	0.5
139.03894	5.3
149.06075	0.4
153.05458	2.0
155.07307	0.4
158.06047	0.6
160.07645	0.5
161.06012	0.3
162.05505	0.4
163.03894	3.0
165.07079	0.9
170.06070	0.5
171.06718	0.4
172.07613	0.9
174.05496	0.4
176.07253	0.4
177.16666	0.4
184.07652	1.0
185.04727	0.4
185.49693	0.4
187.03996	0.6
188.07094	0.4
191.03438	0.4
192.06554	0.4
193.06488	0.5
196.07655	0.7
197.06068	0.4
198.05617	1.2
198.09172	0.6
199.06334	0.9
200.07172	1.4
202.05109	0.8
202.08658	0.4
204.06917	0.5
205.06595	1.5
209.04617	1.2
211.07787	0.6
212.07124	1.3
213.07936	0.6
214.08698	0.7
216.06662	1.4
216.44618	0.4
221.05905	3.9
223.07529	3.2
224.07181	1.4
225.05579	1.0
225.07880	0.8
226.05063	0.8
226.08702	1.3
227.05736	0.7
228.06660	1.7
228.10193	0.6
230.08221	1.2
231.08922	0.5
233.05933	1.7
235.07704	0.5
238.05060	0.7
238.08717	0.5
239.07123	1.2
240.06534	2.2
241.05148	0.8
241.07500	1.5
242.05917	0.8
242.08018	2.2
244.06183	1.3
249.05391	4.1
250.06328	0.6
250.08720	0.5
251.07135	4.3
251.09535	1.2
252.06575	1.1
253.04984	1.3
254.04607	0.6
254.08069	1.9
255.06546	0.7
255.08937	0.8
256.06006	1.8
256.09644	2.4
257.04517	0.8
257.08023	1.2
258.03967	0.5
258.05145	0.5
258.07590	3.3
259.08453	0.6
260.09354	0.5
262.07309	0.4
263.07077	0.7
266.05762	0.4
266.08234	0.7
267.06735	2.2
268.06241	2.3
268.09775	0.7
269.04361	0.5
269.06982	1.0
270.04865	0.9
270.07559	6.6
271.05975	1.7
271.08511	1.0
272.06119	1.5
272.09402	1.7
273.07596	0.6
274.11136	0.4
276.06833	0.5
277.04861	3.1
279.06561	1.6
280.06235	0.5
282.04065	1.0
282.07703	1.8
284.05832	1.1
284.09308	4.3
285.07504	1.6
286.07001	6.1
287.04980	1.9
287.08771	3.6
288.08896	0.9
294.05234	1.3
294.08096	0.5
295.05951	4.5
296.05719	1.3
296.09357	0.5
297.06461	0.9
298.07098	4.6
299.05099	0.6
299.07886	1.8
300.06256	0.8
300.08887	5.2
301.06522	0.6
301.09659	1.0
302.10199	3.6
303.08707	0.9
308.05643	0.5
309.07593	1.0
310.07324	1.3
311.08246	0.5
312.08698	4.4
313.06870	0.9
314.06757	2.8
314.10339	1.9
315.07892	11.1
316.05209	0.5
316.08731	1.9
323.05490	1.4
324.08798	0.6
325.06152	1.2
326.06650	1.8
327.08170	0.5
328.08429	2.7
329.09299	0.9
330.09686	28.0
331.07944	6.0
337.07169	0.5
340.08075	4.5
340.11465	0.4
342.06281	1.0
342.09851	1.1
343.07965	5.9
344.07654	1.9
344.11404	1.3
346.09418	0.4
356.07861	0.9
358.09167	23.7
361.08777	0.7
370.09631	0.4
372.10840	3.9
376.10291	2.8
386.09058	1.5
404.09637	5.6
414.09622	0.6
416.11642	0.5
420.11255	0.5
446.12515	1.4
456.11777	0.4
462.12311	0.8
474.11963	1.7
492.13016	1.8
502.11609	1.4
520.12823	1.3
522.15601	0.5
536.12897	0.5
538.14673	1.1
539.14752	0.5
548.13324	0.6
564.12885	0.5
566.14417	2.7
580.16028	1.8
582.17389	0.7
594.14130	0.7
608.15607	2.1
610.15643	0.4
624.14850	1.1
626.16461	10.0
634.13965	0.9
642.16290	0.4
652.14795	2.4
654.15497	0.8
670.15338	6.7
680.14233	0.9
698.15131	3.4
708.13745	2.0
726.14423	22.6
730.18329	0.6
740.15820	2.4
758.17102	5.4
809.97675	0.5
860.18207	1.6
878.19220	3.1
888.17303	1.3
906.18573	100.0
907.18860	3.8
938.21124	24.3
939.21967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76530	2.2
71.13158	0.5
73.88625	0.5
76.99459	0.5
79.05502	0.6
80.39279	0.7
89.03923	0.8
91.05499	1.3
93.03425	1.7
95.04958	1.0
107.04954	3.5
107.85770	0.5
111.04449	5.5
115.05412	0.6
123.04447	1.2
132.04462	0.7
135.04405	8.9
137.02315	2.7
138.03133	0.7
139.03899	7.0
146.05960	0.6
149.06013	0.9
149.23703	0.6
150.05612	0.9
153.05450	8.5
153.06654	0.6
163.03906	5.4
165.07033	0.8
167.07346	0.6
168.08044	0.6
170.05890	0.7
177.05550	0.9
178.05096	0.8
181.05014	1.7
182.05997	0.6
183.06789	0.9
184.07657	1.0
186.05617	0.7
187.03917	3.1
188.07117	0.8
191.03398	0.8
193.06657	1.2
195.06627	1.3
196.07677	0.9
197.08287	0.7
198.05496	1.4
198.09169	1.0
200.07175	1.0
202.08670	0.7
203.03351	0.6
205.06593	1.5
209.04666	0.7
212.07173	1.3
216.06717	1.2
221.06000	5.7
223.07646	2.6
224.07214	1.9
225.05539	3.7
225.07736	0.6
226.05095	0.8
226.08739	2.3
227.05716	0.9
228.06680	2.1
228.10263	1.6
230.08194	1.1
233.06120	2.1
235.07526	0.8
239.07126	2.4
240.06667	2.1
241.07413	2.4
242.08122	2.7
244.06172	1.8
249.05499	7.2
249.07848	0.7
250.06409	0.7
251.07156	2.8
252.06606	1.1
253.04967	4.2
254.04626	1.1
254.08218	1.4
255.06607	0.8
256.06210	1.7
256.09686	3.0
257.07031	1.0
258.07822	2.3
261.05695	0.8
266.08304	0.7
267.06577	3.7
268.06067	3.2
269.06952	1.9
270.07581	5.1
271.05884	1.1
271.08517	2.0
272.06461	0.8
272.09421	1.7
277.04950	5.1
278.05649	1.0
278.69183	0.5
279.06537	4.2
280.06110	0.6
281.04462	0.7
281.07397	0.7
282.04135	1.4
282.07806	1.8
283.05542	0.7
283.08563	1.2
284.05609	1.5
284.09271	3.9
285.06845	0.7
286.07059	5.2
287.00943	0.7
287.08417	2.7
295.05972	12.8
296.05899	1.9
296.09262	0.8
297.06631	2.1
298.07120	5.4
299.08051	2.2
300.05927	0.8
300.08823	4.0
301.06601	0.8
301.09415	3.3
302.10382	2.5
305.04724	1.0
309.07483	0.9
310.07184	1.4
312.08594	5.3
313.06693	1.0
313.09897	0.9
314.06607	1.5
314.10373	4.7
315.07422	7.6
316.08282	2.0
323.05511	4.8
324.08878	0.9
325.06107	1.7
326.06650	1.9
327.07669	1.0
328.08347	3.2
329.09067	0.9
330.09708	46.5
340.08160	6.3
341.09482	0.7
342.09854	1.8
343.07938	5.0
344.07864	3.1
344.11047	3.0
358.09164	16.4
358.13245	0.9
359.09427	0.6
361.09119	1.2
368.07510	0.9
372.10831	8.4
376.10257	10.5
386.08881	2.3
389.08786	0.8
404.09708	3.8
418.10385	0.6
420.11072	0.7
420.74344	0.6
432.10901	1.0
446.12582	1.9
450.12024	1.6
462.12137	0.9
464.13730	0.9
474.12073	1.4
492.13071	5.2
502.11530	1.1
520.12622	1.6
538.13257	1.3
548.12616	1.1
680.13879	0.8
698.15088	2.3
726.14685	3.0
758.17432	4.1
860.18463	2.3
878.19049	4.9
888.17639	0.9
906.18646	100.0
907.19446	4.8
938.21472	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97594	2.7
84.17552	0.9
87.90979	1.1
106.61779	1.3
137.00677	1.0
190.53522	1.0
228.47412	1.1
239.06801	8.1
305.11462	33.8
505.21957	100.0
506.22638	2.1
516.43054	1.4
518.79181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75511	1.3
73.03415	0.5
79.05472	0.8
84.05624	22.9
91.05463	0.8
93.03390	1.7
97.06380	1.6
98.07131	1.2
98.23482	0.7
99.05573	2.9
104.25387	0.6
107.04945	3.1
111.03673	0.6
111.04438	10.0
114.24463	0.6
126.01057	3.8
128.02626	11.8
130.02309	0.8
133.07634	1.0
135.03476	0.8
135.04407	11.4
137.02301	1.0
137.05914	0.6
139.03888	19.9
145.14101	0.5
146.05917	1.1
146.07141	1.6
147.06664	1.6
148.08665	0.7
151.01836	1.2
158.07085	0.9
161.93004	0.5
163.03886	3.7
165.06972	1.2
167.02390	0.8
167.03682	1.3
173.08205	2.5
174.09013	10.1
175.09776	83.1
176.10123	1.3
181.02629	1.0
181.04950	15.9
185.47614	0.5
187.03786	0.9
193.03941	0.6
193.06447	0.9
203.03415	1.1
205.06599	0.8
209.05881	100.0
210.06635	15.6
210.08696	0.7
211.05608	5.8
211.07481	1.0
212.05833	13.1
213.01785	0.8
214.05479	0.8
221.06006	4.3
223.07576	0.9
225.05458	1.9
231.02847	0.8
239.07103	1.5
249.05446	5.7
251.06993	0.6
253.05035	1.6
255.06546	1.0
256.05939	69.5
257.06210	0.7
258.05594	5.8
267.06485	3.3
277.04956	4.9
279.06531	1.1
281.04471	2.3
295.05988	14.5
297.07565	0.9
305.04425	1.2
313.06873	1.3
323.05478	22.8
324.06055	0.8
341.06598	2.2
411.07101	1.1
466.20526	0.6
473.93958	0.5
493.11237	1.6
521.10767	11.6
647.86072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.6
69.95341	0.8
69.95735	0.6
81.03418	1.0
83.04976	48.0
85.02898	100.0
85.42233	0.4
87.04467	0.8
91.05490	1.7
95.04950	0.4
97.02894	0.4
99.04448	1.1
102.18118	0.4
105.07026	0.6
109.02873	0.8
111.04436	29.3
119.04942	0.8
127.03899	5.6
129.05472	12.5
137.05963	1.1
151.07547	2.8
153.05435	2.1
157.06500	0.5
161.06001	1.2
171.06512	78.3
172.06857	0.7
179.06984	0.4
205.47795	0.4
206.07306	0.7
207.08034	0.5
213.05469	1.3
218.07155	0.5
218.61136	0.4
219.08060	0.4
221.09593	1.0
231.08565	5.8
234.06766	0.7
235.07555	1.2
249.09019	2.9
251.07072	0.9
259.09674	0.9
262.06522	0.3
263.06879	0.4
265.08627	0.4
266.09439	0.4
277.08304	3.1
277.11133	0.6
278.09366	0.5
279.06436	0.6
281.11642	3.7
283.09763	0.4
293.08191	0.6
294.08820	4.1
305.08087	1.2
308.10355	0.6
309.11197	4.1
335.09003	0.8
336.09793	1.2
337.10663	15.2
419.14877	0.6
447.14374	0.7
540.15942	0.8
541.16962	1.9
582.49677	0.4
885.07123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61150	1.7
69.61531	1.7
78.53563	1.1
81.72338	1.0
83.04984	3.7
83.21302	1.1
85.02892	7.6
91.05458	5.1
111.04462	1.9
118.22789	0.9
118.82593	1.0
119.04988	3.7
123.31882	0.9
136.01479	1.2
144.89920	1.0
151.07539	6.3
171.06509	1.3
193.04826	3.1
204.13295	1.0
211.05852	1.0
214.75725	1.2
224.20137	1.1
281.58560	1.1
315.69025	1.0
335.38342	1.1
458.98944	1.0
556.06616	1.2
600.31787	1.4
607.20697	1.7
979.31885	100.0
980.31842	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	980.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99780	0.3
69.03425	4.4
70.91010	0.2
71.04988	1.0
71.51064	0.2
73.02914	0.2
74.83977	0.2
78.04716	0.6
81.03408	10.1
85.02895	3.9
87.00829	0.9
87.01313	0.2
89.03905	9.4
91.05471	0.7
93.03385	1.0
95.04964	0.8
97.02882	15.8
99.04438	2.3
103.05445	0.7
105.01862	1.0
105.04533	0.3
106.04169	0.3
108.02103	1.1
108.04496	0.4
109.02863	10.9
110.03657	0.4
111.04416	2.4
117.03364	22.1
119.04948	0.3
123.04428	0.3
124.05223	0.3
125.05972	1.4
126.05485	0.2
127.03901	26.2
129.01883	0.3
129.04445	0.2
134.03581	1.4
135.04430	1.4
137.02220	0.2
139.03891	4.8
141.05461	1.2
145.02831	57.7
145.04849	1.7
146.03169	1.0
147.02858	0.5
147.04395	0.2
149.05962	7.9
151.03889	54.3
151.04961	3.5
152.04248	0.7
162.03175	0.3
163.03905	1.9
167.03384	2.4
169.04950	8.3
177.05446	100.0
178.05824	1.2
183.02855	0.3
186.05450	0.8
187.06012	4.5
191.03372	0.2
195.06445	1.3
201.05437	1.2
205.04961	0.8
209.04372	0.6
213.03929	4.5
213.05809	0.4
219.06473	0.3
229.04945	2.2
230.46179	0.2
231.04958	3.8
233.04402	0.5
247.05960	1.4
249.05988	0.7
257.04422	2.0
273.06027	1.9
275.05457	4.0
291.07062	4.0
303.08698	0.2
321.09641	4.0
339.06717	0.4
339.10699	5.8
361.05475	1.5
363.07031	0.4
379.06326	0.6
381.07968	0.4
421.07233	0.4
425.08603	0.3
441.10251	4.2
457.09109	0.3
467.11902	1.1
473.38840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.3
78.04729	1.3
79.05516	1.0
81.03426	2.1
89.03910	9.4
91.05442	1.7
92.40540	0.9
93.07012	1.6
94.06585	3.4
95.04881	1.1
96.08127	3.4
106.06546	1.3
108.04469	2.2
108.08128	7.0
110.09653	4.6
116.05014	1.6
117.03379	20.5
120.04464	2.8
120.08106	6.3
122.06013	5.9
122.09663	1.3
124.07598	2.9
134.03653	1.9
134.06006	1.8
135.04485	1.8
136.07568	6.4
138.09135	8.4
144.04427	2.4
145.02837	42.7
146.05988	5.4
148.07582	3.0
149.05974	4.7
150.09200	1.7
152.07043	1.2
160.03951	3.7
160.59663	0.9
162.05492	1.7
166.08597	7.8
172.03911	17.2
174.05554	2.6
176.07059	2.3
177.05453	68.7
186.05510	2.7
190.04985	11.1
199.12363	1.5
204.06540	23.0
207.09305	1.3
211.08682	2.2
212.09468	2.4
213.09712	0.9
224.09372	1.6
225.10199	7.2
226.11017	1.9
227.11745	10.6
229.13336	1.0
236.09454	1.6
237.10178	2.4
239.11772	3.7
241.09886	0.9
241.13281	1.1
249.10350	1.7
251.11713	2.0
253.09727	4.0
255.11292	1.9
263.90704	1.1
264.08914	3.1
265.09775	1.7
266.10580	1.0
267.11383	1.8
269.12793	14.0
271.10629	7.6
273.12350	2.9
277.09671	2.5
279.11267	3.7
283.10815	4.2
284.11365	4.5
285.12262	5.8
286.13242	1.3
287.13882	9.4
295.10696	2.1
297.12329	7.6
299.13928	3.1
299.61438	0.9
307.10825	2.0
312.15076	1.3
313.12317	1.4
314.12799	3.3
315.13712	2.0
316.10953	1.8
316.14423	1.6
317.15253	1.2
321.09482	2.0
323.10248	5.7
325.11725	11.1
326.16544	1.9
327.13666	1.4
328.10748	2.1
328.14505	1.9
329.15109	1.9
330.12296	1.2
330.16013	1.9
331.16891	1.2
339.10886	3.0
341.15283	1.8
342.12308	5.5
342.16058	1.5
343.12973	5.5
355.13177	1.4
356.14005	6.0
357.14429	15.0
358.15448	4.1
370.15533	5.4
371.16510	1.3
378.18195	1.9
380.13947	1.2
382.11862	3.8
383.12616	3.5
384.13300	4.0
385.14218	2.3
386.14703	2.5
386.18683	3.3
387.15500	1.2
388.16577	1.0
390.17926	2.5
397.14993	1.1
398.14960	17.1
399.15799	26.4
400.16428	3.9
402.18347	1.3
404.15939	5.1
412.16635	2.5
414.18048	4.8
416.16129	13.2
422.16605	2.9
428.15964	4.1
430.17633	4.1
440.16107	5.3
446.17047	9.5
458.17056	28.8
478.19653	2.0
490.19638	11.2
501.15787	1.2
510.10822	1.2
565.24438	1.7
569.23865	3.5
583.25165	1.6
593.23926	6.2
611.24957	100.0
612.25165	4.4
643.27612	17.0
663.21851	11.2
695.23859	1.2
737.18671	1.3
773.29669	2.6
787.27258	1.4
905.35522	1.5
907.34265	1.9
949.34790	26.0
950.34241	1.7
981.30164	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	982.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.5
69.07069	1.2
78.04701	0.4
79.05482	1.4
81.03420	3.0
81.07052	0.8
83.04980	4.2
85.02909	0.9
89.03912	5.2
91.05471	2.2
93.06036	0.3
93.07043	1.0
93.35611	0.3
95.04977	1.5
95.08587	0.3
97.02889	0.8
97.06528	3.3
99.04459	1.2
101.42822	0.3
103.05439	0.4
105.07031	3.3
106.04175	0.5
107.04942	0.8
107.08592	1.1
109.02885	1.5
109.06518	0.8
117.03371	18.0
117.07034	0.8
119.04958	1.0
119.08555	1.1
121.06515	2.8
125.05983	7.4
127.03922	1.2
129.07013	0.5
130.92961	0.3
131.08568	1.2
133.06508	0.9
134.03656	1.1
135.04424	1.7
137.05980	2.1
143.07031	7.5
143.08247	0.5
143.08601	0.4
144.09325	0.3
145.02840	50.1
145.06502	1.1
145.10123	6.6
146.03154	0.6
147.04399	4.2
147.11687	0.3
149.05972	5.9
151.03914	0.7
151.07555	1.1
153.06914	0.3
154.07788	0.4
155.08499	0.4
157.10155	0.4
158.07254	0.9
159.08096	0.8
159.11687	2.8
163.03900	0.9
163.11139	1.5
169.10106	0.8
172.08925	0.5
172.67929	0.3
173.09625	5.5
177.05460	100.0
177.12750	1.2
178.05780	1.6
179.06985	1.0
186.05464	0.8
187.11168	5.0
189.12805	0.4
191.10672	2.4
195.06563	1.6
197.09648	0.8
205.12227	5.9
207.43056	0.3
209.11781	1.0
215.10655	7.2
233.11697	7.6
251.12756	4.3
269.13910	0.5
303.08643	0.7
321.09711	2.6
339.10724	6.8
349.37686	0.3
359.14874	0.5
377.15756	1.1
382.41492	0.3
395.16913	1.2
413.18002	2.7
501.08224	0.3
589.22437	2.0
751.27448	0.5
797.38361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04727	0.9
79.05483	1.9
81.03407	2.1
89.03892	8.6
91.05479	2.0
93.07053	1.1
94.06569	3.2
96.08116	2.3
106.04195	1.0
106.06563	2.3
107.07318	1.1
108.08093	7.0
109.02893	0.9
110.09656	5.1
117.03371	17.1
120.04459	1.4
120.08082	6.1
122.06017	6.2
122.09666	1.4
124.07573	1.8
127.03899	0.9
133.10071	0.9
134.03648	1.1
134.06013	1.4
135.04373	1.9
136.07559	13.6
136.08604	0.9
138.09117	8.5
144.04425	2.0
145.02826	46.8
146.05960	5.4
148.07553	7.2
149.05930	6.1
150.09111	5.9
152.07036	11.5
162.05504	1.1
163.03911	2.7
164.07047	3.1
166.08614	15.2
172.03928	8.6
174.05556	1.1
174.09149	1.1
176.07127	1.7
177.05443	71.4
190.04965	6.8
198.11542	1.2
204.06554	10.9
209.10780	1.4
210.09686	0.8
210.11586	2.9
211.12190	3.8
218.08305	1.4
223.08499	1.3
223.12277	2.4
224.09506	0.7
225.10251	2.8
225.13840	1.2
226.10986	3.3
227.11818	2.6
229.09779	1.0
235.08670	1.2
235.12402	1.5
236.09526	0.9
237.10204	5.0
238.11052	4.2
239.11722	6.7
241.09521	1.0
241.13364	0.8
248.09570	1.1
249.10144	5.1
250.10951	2.7
251.11742	8.4
252.08859	1.0
252.12549	1.5
253.09782	1.1
253.13454	3.1
255.11322	2.7
256.12088	0.9
262.11063	2.1
263.08923	1.2
263.11667	9.1
264.08945	1.8
264.12537	1.4
265.09616	3.9
265.13266	4.2
266.10516	3.3
267.11252	10.7
269.12918	3.5
271.10815	1.6
271.14536	2.2
273.12552	1.4
275.11572	1.2
277.09723	1.8
278.10519	2.5
279.11227	17.0
280.12076	3.4
281.12762	5.3
282.13611	1.1
283.11044	3.7
283.13910	1.2
284.11411	5.5
285.12283	17.8
285.15356	1.0
287.13925	2.6
291.11227	8.3
292.11884	0.9
293.09601	1.2
293.12787	8.6
295.10806	2.0
295.14462	1.3
296.11548	3.4
297.12265	25.7
298.13181	1.5
299.13843	4.0
307.10822	1.0
309.12314	11.6
310.13095	2.1
311.10205	3.1
311.13889	3.1
313.11871	2.8
319.10745	4.4
321.09280	1.7
321.12622	6.4
323.10165	6.4
324.11374	0.9
325.11746	10.8
327.13470	4.5
330.16019	1.1
337.11758	28.4
338.12344	1.4
339.10541	2.5
339.13754	2.3
343.13074	1.8
346.19073	1.0
355.12915	1.0
356.13782	1.1
357.14322	5.6
369.14587	3.3
370.15366	1.1
371.15863	1.4
372.16922	1.1
385.14075	1.6
390.18222	0.9
399.15442	1.6
400.16571	1.3
402.18109	1.9
404.19553	3.0
416.20053	1.2
420.19427	0.9
422.21170	1.2
428.19748	1.4
430.17429	4.9
432.19110	3.4
442.18024	0.9
446.20908	2.6
448.18591	14.7
449.19211	5.5
450.20117	6.0
460.18622	12.0
462.20285	3.4
472.18680	1.8
474.20160	2.7
476.18124	4.0
477.18961	4.4
478.19601	4.2
480.21091	1.2
490.19699	21.2
491.20288	1.9
492.20990	4.9
522.22418	6.7
523.23102	1.1
567.26025	1.2
595.25378	8.8
613.26459	100.0
614.27045	4.9
645.29047	6.2
652.24506	1.3
663.21320	4.4
740.69403	1.0
770.29541	1.3
784.30359	1.6
787.29077	3.6
788.29901	3.7
828.29565	10.5
829.29785	3.4
830.31525	4.4
860.32086	4.7
861.33191	4.2
951.36340	8.1
983.34644	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	985.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13027	1.8
69.13432	2.3
75.02355	0.6
77.03915	1.7
79.05491	1.5
81.03397	1.4
89.03910	7.5
91.05450	3.5
93.03399	3.9
95.04988	3.6
98.23503	1.4
101.03883	0.7
105.03359	2.0
105.04523	1.4
107.04938	7.9
109.02844	1.2
111.04432	21.9
117.03365	5.4
119.04927	1.0
121.02837	1.7
123.04416	69.5
127.03878	1.5
131.04912	1.7
133.02826	2.9
134.03606	1.8
135.04402	40.4
136.05128	1.1
137.02330	27.5
137.03403	2.6
139.03885	32.0
141.06932	1.1
145.02846	3.3
147.04382	3.3
149.02342	0.8
150.03093	3.1
151.03867	0.7
152.06233	0.8
153.07047	0.7
155.08530	0.8
157.02809	3.5
157.03993	1.8
159.04398	0.8
161.02347	1.2
163.03882	26.2
165.06978	11.7
169.06458	1.8
169.69029	0.7
173.00835	1.3
173.02330	26.1
175.03883	1.6
176.06207	0.8
177.07092	0.9
181.04932	18.3
181.06371	0.9
183.08099	0.8
185.02312	2.7
187.03857	3.6
189.06979	0.9
191.03365	47.6
193.06456	9.9
194.07306	0.8
197.05963	5.0
204.04228	0.8
205.06467	1.6
211.07506	6.6
217.06570	0.6
221.05959	16.4
222.06448	0.8
223.07524	2.2
225.05383	1.5
233.06004	1.4
234.06584	0.9
235.07483	0.7
237.05467	0.9
239.06981	11.1
242.05826	0.7
243.06429	1.9
249.05432	14.7
250.06190	3.4
251.06949	2.3
253.04933	1.4
255.06424	3.9
257.08069	1.0
262.06064	0.7
263.07034	2.5
265.04898	1.4
266.05652	1.8
267.06482	20.2
268.07224	5.2
269.04416	3.8
269.07782	1.4
271.05911	1.2
273.05469	0.8
277.04953	1.9
279.06522	1.7
281.09525	0.7
283.05997	1.9
285.07584	4.2
291.06641	2.0
295.05972	100.0
296.06488	1.8
297.07339	0.6
312.06177	1.7
313.07013	34.9
314.07468	0.7
319.05859	4.8
321.07782	1.9
326.09488	0.8
331.08011	3.6
347.05496	9.4
348.05807	0.8
353.08029	1.8
354.09033	0.9
355.09598	5.3
365.06595	2.1
371.08966	6.0
372.09933	1.2
381.07416	1.6
382.08600	1.0
383.08771	0.9
387.08340	0.7
397.07364	0.8
399.08643	2.0
400.09354	7.7
401.10001	2.3
411.08710	1.3
415.08090	0.7
427.08145	4.5
428.08572	4.2
429.09650	2.4
439.08133	1.4
445.09097	2.9
446.09717	2.1
447.10974	1.3
457.09137	1.4
493.11249	39.5
515.10791	0.7
545.10748	0.9
561.11749	12.0
571.09937	1.3
579.12280	1.0
589.11188	9.6
591.87372	0.8
607.11969	6.0
625.13104	3.7
626.14209	5.8
677.12628	0.9
741.14337	1.1
759.16724	0.9
787.16467	7.7
805.17047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	6.7
69.07065	21.6
71.04990	3.6
79.05482	57.4
81.03392	6.3
81.07048	69.2
83.04959	7.3
83.08619	9.8
85.02895	9.6
85.06519	2.9
91.03937	3.5
91.05469	47.8
93.07034	57.8
93.69820	1.8
95.04970	12.8
95.08015	3.4
95.08591	43.0
97.02873	6.9
97.06516	11.1
97.10143	8.0
99.04466	2.1
105.04480	3.2
105.07019	33.2
107.04952	2.7
107.08584	35.6
109.02889	2.5
109.06516	2.7
109.10133	33.9
111.08079	4.2
117.07004	16.0
119.08571	24.3
121.06489	2.7
121.10129	26.6
123.08073	3.5
123.11690	5.4
125.09647	5.0
127.03862	3.5
129.06981	4.0
131.08562	19.4
133.10115	19.6
135.07996	2.6
135.11670	15.0
137.09584	2.3
139.11145	2.0
141.06940	3.5
143.08528	6.3
145.04909	2.4
145.10086	16.4
147.11662	13.2
149.09593	4.4
149.13229	8.5
155.08553	3.0
157.10100	5.7
159.11705	14.1
161.13220	5.9
163.11232	2.2
163.14796	2.5
169.10023	1.9
171.11620	3.1
173.04388	2.8
173.11810	2.7
173.13266	4.7
173.34566	1.9
175.14793	4.1
185.13139	2.5
187.14830	3.4
189.11130	1.7
199.14828	2.5
201.12717	2.5
201.16353	2.0
217.15892	3.8
219.17432	2.7
227.12749	4.8
229.14203	10.0
239.17819	2.0
243.21014	3.2
257.18896	6.0
261.22147	11.5
269.17361	13.8
275.20071	23.0
291.19531	2.6
293.21057	2.1
309.20587	6.4
331.22418	2.3
335.25766	100.0
347.15546	2.0
349.23755	22.0
367.24768	2.4
489.35712	11.9
515.36902	9.2
529.38763	46.6
543.40106	3.3
569.41998	23.3
609.45178	33.4
627.46356	9.9
757.69250	2.1
1009.95923	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.1
69.07069	0.9
71.42994	0.8
73.02912	2.0
79.05506	3.1
81.07069	1.8
85.02886	4.3
91.03950	1.5
91.05496	2.1
93.07064	2.1
95.04973	1.1
95.08626	1.5
97.02917	3.4
101.02416	1.5
105.07022	1.9
107.08623	1.7
119.08585	2.0
127.03932	1.2
133.10162	1.1
145.10101	1.0
163.03821	4.2
164.04276	1.1
243.08470	2.1
250.24350	0.8
301.08893	0.9
315.19247	1.8
332.22006	1.1
347.09534	2.5
371.22177	1.0
405.13516	4.7
503.17722	1.1
533.27191	4.9
535.28857	2.8
599.70087	1.1
695.32159	5.1
697.34363	3.2
989.54272	100.0
990.54700	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	990.266
Annotation	Unknow
Peak:m/z	Relative Intensity
68.85396	0.7
69.76424	1.4
74.00117	0.7
75.04469	1.2
79.05489	1.2
89.03940	1.2
91.05463	5.1
93.03396	9.0
105.07050	0.7
107.04951	14.1
111.04438	39.7
119.04929	2.2
123.04429	1.1
135.04405	44.2
137.02371	3.9
137.05943	2.3
139.03893	77.8
147.04375	4.4
153.05484	5.5
159.47540	0.8
161.02316	0.9
161.05963	2.1
163.03883	17.7
164.06346	0.8
165.06972	5.9
167.03389	0.8
175.03853	2.4
177.05515	1.2
177.07014	1.2
179.03285	1.0
181.04944	65.1
181.06241	2.5
187.03894	3.2
191.03284	1.4
193.06425	4.1
195.06500	3.4
197.05983	2.8
203.03365	7.9
205.04922	3.0
205.06561	3.0
209.06026	1.8
211.07565	3.3
213.01788	2.4
213.05194	1.0
215.03351	0.8
220.06844	0.8
221.03867	1.1
221.05975	18.7
222.06580	0.9
223.07487	3.3
225.05438	11.1
226.06245	1.2
227.07054	2.1
231.02780	6.9
233.05925	2.9
237.05562	3.6
239.07048	7.9
240.04004	0.9
241.04848	0.9
249.05461	22.3
250.06113	2.6
251.03299	1.2
251.07011	4.6
252.04153	3.7
253.04915	10.5
255.06520	7.6
256.07172	1.2
259.03787	1.2
261.05417	0.9
265.04935	2.6
266.05664	1.1
267.06464	14.3
267.09204	1.3
268.03860	1.8
268.07117	0.9
269.04562	5.3
271.06009	2.5
277.04944	23.7
278.05630	2.1
279.06451	7.3
281.04471	10.0
282.05341	1.7
283.06021	4.1
284.03125	1.8
287.05582	1.1
293.04312	1.5
294.05032	1.2
295.05994	66.8
296.03201	0.9
297.03934	5.6
297.07541	5.0
299.08954	0.9
300.06134	2.6
301.07065	1.2
305.04257	4.0
310.04672	1.8
311.05444	6.7
312.06247	3.1
313.03769	1.3
313.07065	6.9
315.08615	1.2
319.08154	1.8
323.05472	100.0
324.05795	2.0
325.07086	1.9
328.05768	1.9
329.06659	1.1
339.05023	3.3
340.05804	1.5
341.06555	7.8
343.08118	9.0
346.06937	0.9
353.06512	2.2
355.08090	1.1
357.06177	1.1
361.09204	2.5
365.06448	3.0
371.07590	27.8
389.08490	2.9
393.06149	1.0
403.10211	14.4
411.07132	3.4
421.11154	2.4
493.11191	7.5
503.09280	1.0
521.10736	35.1
726.51831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.266
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42476	3.0
91.05501	6.2
93.03371	5.3
107.04945	9.3
108.91838	2.9
111.04440	21.8
123.04430	5.3
135.04430	18.4
137.02344	4.5
139.03905	51.7
140.04692	3.6
147.04402	13.4
147.48042	2.9
151.03867	2.8
153.05505	5.6
156.16257	3.0
161.02364	5.1
161.05920	4.8
163.03876	11.2
165.01880	4.9
165.05528	5.4
165.06963	8.3
167.03415	12.3
175.03912	5.1
181.04979	14.3
181.06433	6.4
183.08011	3.5
184.05176	3.3
185.05936	3.3
191.03378	12.9
193.06456	5.6
203.03357	4.2
205.04990	7.2
209.05956	9.5
212.04712	5.5
213.05469	5.5
221.06001	32.4
223.05980	10.7
225.05374	14.7
226.06250	3.8
227.07025	9.4
237.05455	14.2
239.03648	3.3
239.06990	12.4
240.04210	6.8
241.05003	8.1
249.05453	40.6
251.07060	3.4
253.04956	11.2
254.15121	2.6
255.06584	22.2
257.04547	5.0
258.05350	6.8
263.06921	4.7
265.04971	11.7
266.05789	7.5
267.03018	4.5
267.06522	20.0
268.03641	8.0
269.04382	20.0
271.06134	3.5
273.07693	4.0
277.04938	25.9
278.05566	3.2
279.06400	6.6
280.03714	3.0
281.04428	10.2
281.07901	5.2
282.05356	2.8
283.05957	29.2
285.03973	4.0
286.04611	3.5
287.05408	7.4
293.04416	7.8
294.05127	19.6
295.05960	70.5
296.03247	5.6
297.03955	24.1
297.07355	5.7
300.06473	7.3
301.07037	11.2
305.04172	4.3
307.05780	6.5
309.07593	14.4
311.05453	25.8
311.08737	4.4
312.06299	6.7
313.07007	4.8
315.08578	11.3
321.04065	13.1
323.05460	36.7
325.07010	5.6
328.05722	9.1
329.06577	16.7
331.04593	4.2
331.08243	3.8
337.07001	44.0
339.04959	13.6
341.06400	8.4
343.08060	47.3
346.06812	6.0
347.07629	10.5
353.06747	7.5
356.05237	4.3
357.06369	4.1
361.09146	34.1
371.07587	74.8
372.08255	4.3
379.10016	14.4
385.09314	4.6
389.08698	26.7
403.10196	65.7
421.11206	19.3
440.85471	3.8
471.31772	3.1
561.10284	24.3
575.11462	9.1
637.13062	3.4
651.10785	9.6
655.14172	9.5
665.12006	5.3
683.13849	100.0
701.14191	4.6
711.13367	47.1
715.15881	5.0
743.15991	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	991.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.0
69.07073	0.6
69.39462	1.4
71.01399	0.5
71.04995	0.4
73.02900	2.9
79.05486	2.0
81.03427	1.4
81.07051	3.1
83.04976	0.4
83.08611	0.4
85.02894	5.2
87.04478	0.6
91.03950	3.1
91.05465	2.1
93.07034	2.3
95.04971	0.5
95.08601	1.6
97.02876	5.4
99.04469	1.2
101.02354	1.7
105.07037	1.1
107.08623	1.6
109.02882	0.7
109.06581	0.3
109.10134	0.7
117.07047	0.5
119.08593	0.7
119.66974	0.3
120.01328	0.3
121.10153	1.0
123.11739	0.4
127.03934	1.7
131.08591	0.8
133.10197	0.5
135.11708	1.0
142.56296	0.3
149.13284	0.3
185.04240	0.8
203.05325	0.9
243.08397	2.5
254.29825	0.4
333.20319	2.0
335.25757	0.6
340.49808	0.3
347.09387	2.6
358.65765	0.4
363.09131	0.6
365.10760	1.3
389.23117	0.6
405.13644	7.3
413.17719	0.4
453.21164	0.7
519.29163	6.9
551.28204	3.1
681.34534	6.6
713.33777	2.3
728.08533	0.3
829.50989	1.1
862.10382	0.4
893.48962	0.8
991.55829	100.0
992.56262	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	991.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	4.2
69.07040	1.1
69.67057	2.4
71.01340	0.9
73.02888	4.4
79.05484	3.5
81.03422	1.6
81.07053	3.7
85.02901	7.9
91.03947	4.1
91.05502	2.5
93.07077	2.9
93.62202	0.6
95.08628	2.4
97.02874	7.6
99.04467	1.6
100.16224	0.6
101.02371	2.0
103.20461	0.8
105.07022	1.4
107.08615	1.6
109.02917	0.7
109.10177	1.0
115.03901	0.8
119.08604	1.1
121.10201	0.9
127.03916	1.5
131.08589	0.8
133.10159	0.7
140.05354	0.6
147.11705	0.7
159.11717	0.8
161.48814	0.8
169.11920	0.6
185.04272	1.5
201.03806	0.7
221.81612	0.6
243.08392	3.4
287.22546	0.7
333.20544	1.3
335.25809	0.9
347.09436	4.0
365.10736	1.8
405.13730	9.3
519.29205	7.2
551.28253	4.3
681.34570	7.4
713.33728	2.2
823.83002	0.8
829.50946	1.0
991.55841	100.0
992.55701	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	991.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	1.9
69.07069	0.8
73.02889	2.3
79.05481	2.4
81.03428	0.8
81.07063	1.7
85.02907	3.6
91.03954	3.0
91.05460	2.2
93.07027	2.6
95.04974	0.5
95.08618	1.4
97.02898	3.6
98.23482	1.2
99.04489	1.1
101.02388	1.2
103.03961	0.5
105.07043	1.7
107.08626	1.2
110.37116	0.4
119.08567	0.9
121.10166	0.6
125.29398	0.4
127.03963	1.1
130.97124	0.4
131.08585	0.8
133.10173	1.0
133.23004	0.4
135.11736	0.7
145.05116	0.4
147.11754	0.9
154.90959	0.4
159.11888	0.5
163.03918	0.5
171.11726	0.5
173.06635	0.4
184.37816	0.4
185.04269	1.3
194.34485	0.5
201.03914	0.8
203.05315	1.0
216.60030	0.4
243.08401	2.0
301.08978	0.8
313.09171	0.8
315.10632	0.5
317.21011	0.5
329.08499	0.5
347.09473	4.1
363.09106	1.5
365.10657	1.1
397.18188	0.4
403.12320	0.5
405.13583	7.8
463.14139	2.1
465.21246	1.0
477.16022	1.2
525.23645	0.8
535.28619	6.4
559.23413	0.7
591.22742	0.5
607.30878	0.7
627.26605	1.4
657.27661	0.9
687.28271	1.0
697.33984	9.3
769.36414	1.2
779.56885	0.4
991.55853	100.0
992.55914	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	992.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.8
71.01345	0.6
80.69597	0.4
81.03410	1.7
83.04971	48.6
85.02892	100.0
87.04455	1.1
89.03903	4.4
91.05453	0.8
97.02872	1.2
98.22694	1.5
99.04454	0.9
101.05978	0.6
103.05479	0.7
109.02872	5.0
111.04430	28.5
115.05446	0.7
117.03367	10.6
119.04903	0.4
127.03905	6.1
129.05461	13.2
131.04889	1.3
134.03638	0.8
135.04373	1.0
136.15468	0.4
137.05965	7.1
143.04921	0.6
145.02824	31.2
149.05959	3.6
151.07533	1.1
153.05409	2.4
154.91145	0.3
157.06511	0.7
163.03877	0.5
163.07501	1.8
169.04852	0.5
171.06503	77.5
172.06863	0.4
177.05446	68.0
178.05705	0.8
179.07082	0.5
187.05901	0.8
189.09079	1.1
191.08487	0.8
201.05501	0.4
211.56000	0.3
219.07953	1.2
229.50012	0.4
231.06497	0.7
231.08611	9.9
241.08575	0.8
247.07219	0.4
251.10658	0.7
261.07553	0.8
279.10144	2.9
280.10788	0.4
285.07388	1.1
299.12711	1.2
311.12732	2.7
313.14310	1.8
329.13748	0.5
351.59924	0.4
363.10657	0.7
381.11728	20.1
407.13376	2.1
569.89154	0.4
611.19635	6.4
879.18677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	1.4
71.01334	0.5
71.05002	0.4
81.03416	2.5
83.04973	49.7
85.02895	100.0
87.04474	1.4
89.03905	5.5
91.05465	2.1
95.04941	0.7
97.02860	1.4
98.23494	0.6
99.04453	1.3
101.06038	0.4
103.05482	0.3
105.06987	0.4
109.02861	5.9
111.04432	28.6
117.03369	13.2
117.04053	0.2
117.07069	0.3
119.04915	1.6
125.02314	0.3
127.03908	6.6
129.05466	13.7
134.03612	1.0
135.04390	1.1
136.05144	0.4
137.05957	3.3
145.02832	40.0
146.03210	0.3
147.04343	0.6
147.08041	0.3
149.05948	4.9
151.03889	0.9
151.07509	6.0
153.05496	1.8
161.06018	0.7
163.03877	0.8
163.07550	0.6
169.04932	0.7
169.06277	0.3
171.06509	73.6
172.06850	1.0
175.07532	1.9
177.05450	91.5
178.05801	1.2
179.07019	1.1
186.05496	0.9
187.05991	1.1
189.09128	0.6
191.06918	0.6
195.06468	0.6
199.07547	0.5
201.05499	0.6
203.07007	1.2
205.08611	0.6
213.07471	0.3
215.07088	1.5
217.08557	1.1
219.06511	0.4
227.07030	0.3
229.08746	0.5
231.08521	7.2
233.08057	0.6
241.08554	0.9
253.08710	0.3
257.08115	0.5
259.09619	3.7
261.07614	0.9
275.08987	0.8
277.10895	1.4
283.09512	0.6
285.07523	1.0
287.08923	0.4
297.11264	0.5
298.39850	0.3
299.12714	0.4
303.08667	0.5
309.11288	0.5
311.12622	0.8
319.11682	0.8
321.09583	1.0
329.14047	0.6
337.10617	0.9
339.10858	0.3
357.12976	0.4
363.10855	0.5
381.11755	23.0
382.12079	0.7
407.13452	1.2
409.11163	0.3
419.14636	0.3
437.15561	0.8
455.16910	0.7
505.18390	0.3
529.16803	0.9
531.18427	2.7
593.17920	1.0
611.19708	2.6
667.23315	0.4
761.26648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.7
69.13237	1.2
71.01330	0.4
80.83830	0.2
81.03391	0.7
81.41826	0.2
81.42321	0.2
83.04971	46.4
85.02894	100.0
86.03219	0.4
87.04453	1.2
89.03902	1.4
91.05459	1.9
97.02852	0.5
99.04443	0.9
101.06008	0.3
101.75787	0.2
103.05481	0.4
105.03346	0.3
109.02854	1.4
111.04429	25.1
117.03366	4.0
119.04917	2.4
127.03895	5.9
129.05463	13.5
131.04871	0.3
133.06485	0.3
134.03578	0.3
135.04424	0.4
137.05968	3.1
145.02826	12.8
145.06526	0.2
147.04381	1.3
149.05942	1.6
150.06671	0.3
151.03899	0.2
151.07521	3.4
153.05424	0.3
161.05991	1.0
162.06750	1.0
163.07533	0.3
171.06503	86.4
172.06848	0.7
173.06000	0.3
175.03891	1.1
177.05446	22.1
179.07001	2.7
187.05997	0.4
201.05450	4.5
203.07056	0.2
213.05432	0.5
231.06502	0.5
231.08594	4.9
233.05878	0.5
259.09564	0.7
265.08508	0.6
277.08212	0.5
277.10880	0.4
279.09863	0.3
283.09601	0.2
290.05627	0.2
293.07959	0.2
301.13440	0.2
305.08038	0.9
307.09604	0.6
323.09088	0.4
325.10672	3.1
337.06949	0.2
337.10635	3.3
341.10269	0.3
355.11722	7.6
356.11841	0.2
373.12573	1.2
381.11896	1.5
511.15515	0.3
529.16742	0.8
541.16620	0.3
559.18011	2.5
577.19116	2.7
603.20703	0.2
789.24377	0.6
807.26849	1.6
825.03638	0.2
932.00073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	8.7
69.07059	2.7
71.01344	0.6
71.04979	1.0
73.02921	0.9
79.05483	0.5
81.03409	7.7
81.07051	1.6
83.01329	0.5
83.04965	1.0
83.08606	2.7
85.02898	26.5
87.00819	5.2
87.04455	0.4
89.03928	0.2
91.03943	0.5
91.05472	0.5
93.07037	0.4
95.04979	1.1
95.08590	0.8
96.38549	0.2
97.02885	10.4
97.10153	3.3
97.66972	0.2
98.22581	0.4
99.04443	2.5
101.02388	0.5
103.03358	0.2
103.03942	1.2
103.05445	0.5
104.85105	0.2
105.01859	5.7
105.07017	0.3
107.04907	0.4
109.02866	10.0
109.06490	0.2
109.10178	0.6
111.03799	0.2
111.04449	1.5
111.11714	0.7
113.02393	0.2
113.45640	0.2
115.03919	0.5
115.05451	0.6
117.01852	0.5
117.06972	1.2
119.08585	0.2
123.04414	2.9
123.11697	8.4
125.02370	1.0
127.03905	17.3
128.06221	0.5
129.01828	0.5
129.05447	0.4
129.06978	1.4
130.06487	0.5
131.04880	1.3
131.08548	0.7
132.05714	0.2
135.04349	0.4
137.05930	0.8
137.13225	2.0
139.03885	0.6
142.07756	0.2
143.04877	0.9
143.08562	0.9
145.04942	4.8
145.06468	3.7
147.02882	0.7
147.04390	0.8
147.06491	0.3
149.05972	6.4
151.03857	1.1
156.09331	0.2
157.06493	2.8
157.10059	0.5
159.02849	1.3
159.06802	0.2
159.08031	1.6
161.05989	1.8
162.06657	0.3
163.03859	0.7
163.07526	11.8
165.09097	27.6
169.04947	2.1
171.02867	0.9
171.06667	0.4
171.08014	2.0
171.11687	0.6
172.03899	0.4
173.05894	0.3
173.09560	0.4
174.06776	0.3
175.03920	0.3
175.07521	4.1
177.09106	3.6
179.10652	1.9
181.04892	0.3
185.09612	1.7
187.06044	1.7
187.07527	0.5
187.11076	0.2
188.08337	0.4
189.03938	3.0
189.05446	0.4
189.09077	2.3
191.10648	15.1
193.05008	1.2
193.06534	0.2
193.12224	0.7
199.11154	2.3
201.09052	0.4
202.09869	0.8
203.10660	5.2
204.06583	0.4
204.11258	0.2
205.12221	50.4
206.12607	0.4
207.06526	0.3
211.05971	0.5
213.03920	4.1
213.12636	1.0
215.10789	0.2
216.11469	0.2
217.12216	28.9
218.12614	0.3
219.13782	5.1
227.14426	0.3
229.12241	0.6
230.12578	0.2
231.04973	5.9
231.13776	7.8
233.06516	0.7
235.06001	0.8
241.15800	0.6
243.13680	0.3
245.12862	0.3
245.15338	5.4
249.06023	2.3
253.06938	0.9
255.04942	1.0
257.15369	0.3
258.16147	0.4
259.16928	4.2
269.06604	0.2
273.06018	10.6
282.19452	0.2
283.20538	1.0
291.06958	0.3
297.06021	0.5
299.19971	0.9
300.20221	0.2
301.21582	100.0
302.21909	1.5
315.07123	1.3
319.22662	0.4
321.06174	0.4
333.08038	0.5
339.07135	2.5
357.08109	1.9
367.17380	0.5
375.08975	0.4
395.34769	0.2
425.06943	0.4
427.24939	0.3
443.08231	1.7
445.25403	0.3
461.03128	0.3
461.09286	3.5
463.26871	4.9
479.10281	1.9
585.92743	0.2
617.70593	0.2
619.78027	0.3
926.20679	0.2
962.39972	1.3
994.41797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30141	4.3
79.05505	2.3
87.04465	25.3
91.05497	2.7
93.03394	1.2
95.04978	2.2
100.36830	1.0
107.04940	6.9
107.05544	0.7
111.04449	9.3
118.06603	1.2
119.04961	1.0
123.04474	2.1
131.04945	1.1
132.04492	1.0
134.06001	1.3
135.04401	8.6
137.02319	9.4
137.03259	1.2
138.03093	4.8
139.03896	11.6
144.04410	1.0
146.06004	1.8
147.04559	1.7
148.03966	4.9
149.04762	1.1
150.05554	1.0
153.05458	40.0
157.69284	1.0
160.03963	1.1
162.05563	1.8
163.03955	2.6
163.06339	2.9
164.07082	4.6
164.91731	1.0
165.07014	1.2
173.05962	2.3
174.05457	7.8
176.07060	4.7
177.05478	1.7
178.04984	6.5
178.06346	0.9
179.07169	1.2
180.06404	1.1
181.04984	5.7
187.04027	1.5
188.07100	1.4
190.04887	1.3
192.06538	42.7
193.06563	1.3
197.06030	1.1
202.04953	9.0
203.03360	2.1
205.06569	2.9
206.08142	2.4
208.06055	1.6
211.07564	1.0
212.07196	1.2
213.01912	1.0
214.08644	1.1
220.06210	2.7
221.04192	1.0
221.05943	6.0
223.07584	5.5
224.07237	1.4
225.05621	2.3
226.08737	1.3
227.07268	1.6
230.08252	2.1
233.06029	3.5
233.08119	1.7
234.07631	5.2
238.07187	3.6
239.07037	2.3
240.06673	1.8
241.07314	1.0
248.09386	2.0
249.05455	7.6
251.07130	6.4
251.09323	1.5
252.06580	1.4
253.05083	3.8
254.08220	4.8
255.06668	2.1
255.38635	1.0
257.06805	2.1
261.05621	1.7
266.08212	3.3
266.10556	2.0
267.06631	4.8
268.09830	2.9
269.07092	4.2
270.07605	4.4
272.09290	2.0
276.08887	3.9
277.04984	4.4
278.05768	1.1
278.10236	17.6
279.06503	8.5
280.06070	6.9
281.04486	2.1
281.07251	1.2
282.07858	2.6
283.08633	2.3
284.09171	15.9
284.12039	1.4
285.07388	1.1
294.07581	2.2
295.05917	21.1
296.06009	1.4
296.09320	4.1
298.07242	3.1
298.10718	1.9
300.08844	3.7
308.06009	1.3
310.07346	1.1
312.08621	43.5
313.09555	4.1
323.05426	9.0
326.10147	8.5
328.08350	1.2
328.11966	1.3
330.09839	2.8
337.06976	1.1
340.08167	15.4
340.11853	1.1
342.09692	2.0
344.11249	6.1
354.09836	2.3
358.09372	3.4
372.06937	1.1
372.11139	3.9
379.78995	1.0
398.12405	3.1
399.13080	14.3
425.64728	0.9
427.12674	1.1
430.14966	24.4
458.14453	1.9
521.10828	1.8
664.16937	3.1
680.14642	1.9
698.14948	2.5
712.16827	1.6
816.21204	22.3
817.22003	1.4
844.20557	13.6
878.18658	7.8
964.22943	2.6
965.23553	4.6
996.25543	100.0
997.25714	4.3
1007.19916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55733	0.4
83.04967	2.6
83.05347	0.2
85.02900	5.3
85.84252	0.2
89.03946	0.6
91.05467	3.2
95.04984	0.6
109.46784	0.2
111.04422	1.2
117.03354	1.0
119.04922	1.5
129.05481	0.6
133.02795	0.3
135.04361	0.3
136.05179	0.3
137.06024	0.4
145.02817	2.2
147.04396	0.3
149.06047	0.4
151.07532	5.4
151.08716	0.3
163.03920	0.3
171.06567	0.6
175.03795	0.7
177.05455	2.6
185.85170	0.2
189.78203	0.2
193.04700	2.2
211.05722	0.3
215.26741	0.2
232.33908	0.3
253.06946	0.4
271.08020	0.3
289.24710	0.3
299.09015	0.4
317.10159	0.5
325.53430	0.3
359.10974	0.5
361.12811	0.8
377.12170	0.7
413.12390	0.3
446.88065	0.2
541.17584	0.3
546.21393	0.3
547.17755	0.3
569.16339	0.8
571.17981	0.6
607.20410	0.5
625.20996	0.3
739.22534	0.4
767.25201	0.8
799.24158	1.2
801.25195	0.5
813.26184	1.0
857.43726	0.3
997.32990	100.0
998.33160	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
82.77538	0.4
83.04982	2.5
85.02893	4.5
89.03938	0.5
91.05514	0.7
109.35713	0.4
111.04456	1.3
112.77311	0.4
115.05482	1.1
117.03396	1.5
117.07012	2.5
125.06017	0.4
129.05496	0.6
137.05957	4.2
143.04965	0.4
145.02812	2.1
145.06458	2.0
163.03929	1.5
163.07570	0.9
171.06570	0.8
172.05023	0.6
175.07556	0.5
177.05421	4.0
177.09138	1.0
193.04697	2.6
211.05739	1.9
216.03897	0.5
233.07947	0.5
236.51448	0.5
343.11359	0.5
345.09488	0.4
360.83694	0.4
415.13950	0.5
426.87589	0.5
441.13785	1.2
597.19647	0.9
599.17377	0.8
617.18286	0.8
740.86749	0.4
767.25525	1.5
813.25714	0.5
827.27441	1.6
829.25183	0.5
902.01801	0.5
959.97034	0.4
997.32983	100.0
998.32922	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	997.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51853	0.5
69.52196	0.6
79.05511	0.3
81.03438	0.4
83.04977	2.1
85.02900	3.7
89.03922	0.4
91.05469	3.1
95.01851	0.2
95.04987	0.6
95.90466	0.2
97.99253	0.2
98.22744	0.4
105.07054	0.2
109.02895	0.3
111.04466	1.4
117.03353	1.2
119.04957	1.7
121.06541	0.5
124.76244	0.2
129.05490	0.4
129.13033	0.2
133.06528	0.2
135.04399	0.3
136.05222	0.5
137.06018	0.6
141.35313	0.2
145.02827	2.5
147.04422	0.6
149.06036	0.6
151.07513	4.0
163.03914	0.3
165.05270	0.4
171.06606	0.8
172.04990	0.2
173.05728	0.3
175.03769	0.3
175.07593	0.6
177.05443	3.9
177.06908	0.2
179.07144	0.4
191.03217	0.3
191.06949	0.2
193.04733	2.2
195.06357	0.4
195.34421	0.2
199.03702	0.3
201.05135	0.2
209.04358	0.2
211.05870	0.8
217.04684	0.3
224.24088	0.2
252.07805	0.2
253.06879	0.5
281.07825	0.4
285.91879	0.2
286.64420	0.2
299.08987	0.6
315.08267	0.3
329.10336	0.3
336.01328	0.2
341.10040	0.8
355.11780	0.4
359.10953	1.4
361.13214	0.3
377.12158	0.5
387.14368	0.6
415.13770	0.9
419.09433	0.4
429.15274	0.4
541.16718	0.5
553.17108	0.8
555.15131	0.4
569.16168	1.7
571.18231	0.8
573.19446	0.4
575.17249	0.3
577.19495	0.3
583.18109	0.4
697.20459	0.3
739.22498	0.4
757.22815	1.6
767.24982	1.2
771.25000	0.6
785.22662	0.7
799.24066	2.3
800.25232	0.5
801.25769	0.4
813.26410	0.7
937.31317	0.3
997.33014	100.0
998.33368	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	0.3
69.69825	0.6
71.07369	2.6
81.07049	0.3
86.09696	27.3
87.10017	0.2
95.08613	0.3
98.23321	0.3
98.98450	2.6
104.10738	3.0
124.99993	18.2
143.01018	0.3
184.07323	100.0
185.07622	0.6
206.13057	0.2
209.80823	0.2
238.75143	0.2
258.11154	0.2
502.32898	2.3
520.33929	20.5
521.33960	0.5
869.55890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.6887
Annotation	Unknow
Peak:m/z	Relative Intensity
74.36749	0.1
100.89841	0.1
105.63055	0.1
163.03819	0.2
191.23772	0.1
207.28099	0.1
238.53813	0.1
285.04871	0.1
328.65439	0.1
448.66510	0.1
461.27325	0.1
467.34888	8.7
468.35840	0.2
508.37286	0.4
511.33862	100.0
512.34241	3.3
529.34894	0.4
552.36517	4.9
553.36768	0.4
569.38062	0.1
861.41205	0.1
999.41473	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	1003.6162
Annotation	Unknow
Peak:m/z	Relative Intensity
73.20648	0.1
89.67420	0.1
98.21913	0.3
170.98969	0.1
189.12935	0.2
203.21254	0.1
271.95288	0.1
290.17795	0.1
341.87204	0.1
363.26736	0.1
375.26920	0.1
379.29852	0.1
391.30151	0.5
407.29550	0.2
409.31311	0.3
455.31699	100.0
456.32013	2.5
603.31580	0.1
738.24170	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	1004.6602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81909	2.7
78.95909	2.2
115.05371	0.9
152.99548	0.8
205.75729	0.8
214.43407	0.8
231.49529	0.8
242.07947	1.0
279.23331	29.6
379.30145	1.4
409.31033	1.8
437.30573	2.7
455.31714	45.2
485.32776	100.0
486.32785	1.3
504.30997	37.2
777.39648	0.9
881.33051	0.9
988.24170	1.0
1004.65387	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	1008.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
72.58549	0.6
72.99316	6.6
73.02939	0.7
74.22865	0.5
83.01376	0.7
96.29424	0.6
105.03447	0.8
109.02982	0.8
123.04527	0.9
125.02441	2.4
131.03693	0.7
132.02185	1.2
133.02985	8.8
134.03734	1.0
135.04533	6.3
136.04073	0.8
149.99571	0.8
150.01967	2.2
151.00345	1.7
161.02466	13.2
163.00407	3.7
164.01234	3.4
177.01921	0.7
177.90221	0.7
178.01419	1.5
179.03493	2.2
197.04707	1.5
198.05399	0.9
200.03558	1.1
216.06606	0.9
224.03513	0.7
226.05087	1.1
227.05850	7.3
231.05386	0.7
238.05087	1.3
239.05876	6.3
240.06714	1.7
242.04619	1.2
250.05051	2.8
254.04546	0.9
254.08215	1.4
255.05482	1.8
257.06961	1.1
264.02985	2.1
266.04642	4.1
267.05551	0.9
268.06253	2.2
270.04147	2.3
270.07513	0.7
271.04910	11.1
272.05478	0.8
278.04593	1.8
279.05301	0.9
280.02472	3.0
281.03323	25.3
282.04153	3.5
283.04898	7.9
283.36713	0.6
284.05688	8.2
286.07147	0.8
292.02545	2.6
293.03333	14.1
294.04086	4.9
296.05682	1.8
298.04102	1.0
298.07043	3.4
299.04456	5.2
300.05176	0.7
301.05884	2.7
302.06696	2.0
308.05823	4.0
309.02872	2.0
310.03555	3.5
311.04370	16.1
312.05338	3.4
314.06708	2.7
324.05188	6.7
326.06671	5.0
327.03891	1.1
328.04672	3.3
329.05490	1.5
338.03101	1.8
342.06171	7.9
345.04733	1.3
352.04630	3.0
355.03351	9.3
356.04099	2.2
360.07382	7.8
370.05725	36.4
373.04416	0.7
388.06778	34.0
389.06451	0.8
398.05383	1.0
430.07816	1.1
524.08191	3.0
532.09021	5.3
550.09991	24.6
560.08545	2.1
574.11523	1.0
592.11981	0.9
616.12689	2.4
634.14185	100.0
635.14709	2.2
669.64252	0.8
686.11768	1.5
754.16278	1.7
770.15460	8.2
778.17120	0.7
796.17419	40.0
797.18182	1.5
918.14441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
129.38383	0.6
135.04439	0.7
161.02449	1.0
295.31641	0.6
304.89865	0.5
377.28610	1.1
399.12701	0.6
453.30148	55.4
471.31186	3.5
501.32260	100.0
502.32623	2.0
541.99707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0245
Annotation	Succinate semialdehyde
Peak:m/z	Relative Intensity
50.37831	1.6
55.01884	21.0
57.03455	73.8
58.00592	1.9
58.03778	2.2
59.01386	40.3
63.25183	1.5
64.21651	1.8
71.01369	7.5
73.02955	56.3
81.78694	1.9
83.01408	11.4
91.44176	1.4
99.92603	1.9
100.93367	2.9
100.94626	6.0
101.02451	100.0
102.05601	5.8
105.52872	1.5
110.48324	1.5
115.92088	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	1011.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99323	0.4
79.95747	7.8
87.28725	0.3
96.96023	100.0
109.02946	1.6
121.82217	0.3
135.04494	0.5
137.38811	0.4
159.04590	0.4
179.97798	0.3
185.02477	1.3
197.04597	0.3
203.21555	0.3
249.05638	1.0
265.04974	0.4
267.06879	0.5
277.05173	0.7
279.03024	2.7
280.03857	0.5
293.04538	1.0
295.06180	2.5
314.50699	0.3
321.04065	7.9
339.05182	1.6
517.11566	2.6
519.09424	9.0
519.16968	0.6
535.12518	0.9
625.40820	0.3
715.16608	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	1011.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43069	0.3
72.99316	14.6
75.00881	0.4
82.17764	0.3
83.11046	0.3
84.69913	0.2
92.13979	0.2
105.03461	0.3
107.05042	0.7
109.02952	0.8
120.45538	0.2
121.03008	0.4
122.03780	0.3
123.04542	6.9
132.02217	1.4
132.03041	0.3
133.02975	24.8
134.03745	2.5
135.04546	18.8
136.01704	0.3
137.02438	0.4
137.67947	0.3
139.00395	0.3
139.04036	0.3
146.03738	1.0
149.02455	0.8
149.06114	0.9
150.03259	0.4
151.04010	0.8
152.01172	0.3
153.05568	0.5
160.01657	0.6
161.02461	100.0
162.03133	0.8
163.00359	3.5
164.01064	0.3
164.04820	0.8
165.01939	1.0
173.02344	0.3
175.04018	0.5
177.05472	0.3
178.02733	5.6
179.03519	15.0
179.07079	2.0
180.04208	0.5
183.06601	1.6
193.01427	0.7
193.05070	10.6
194.05786	0.5
195.02982	0.5
195.06703	0.6
197.04568	18.3
207.02985	0.8
208.03766	0.5
211.06152	1.1
214.14992	0.3
222.05339	0.5
223.02533	0.5
223.06149	2.4
233.04582	0.3
237.07715	0.9
241.07198	4.3
269.04428	0.4
284.06952	3.0
285.07700	1.0
299.09299	4.3
300.10135	1.5
307.04593	0.7
311.09399	0.3
313.07260	0.6
313.10803	0.5
314.11749	1.4
315.09106	0.4
315.12323	1.6
328.09549	1.0
340.09558	0.8
343.08167	0.6
343.11926	4.1
355.08261	0.4
355.12042	0.3
358.10635	2.7
359.07755	41.7
360.08118	0.5
360.77838	0.3
373.12952	14.0
403.14005	43.1
404.14340	0.7
814.91730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	4.2
95.01374	1.4
96.96008	3.1
107.61722	1.2
108.02174	1.7
109.02967	8.8
121.02952	3.4
123.04541	1.9
124.01677	3.0
125.02462	57.8
132.02187	7.0
133.02972	5.7
134.03732	4.0
135.04565	6.1
137.02441	5.6
147.00893	3.1
147.04590	2.2
149.02443	12.4
159.04474	1.8
160.01666	12.5
161.02464	19.2
163.00392	2.8
164.01190	2.5
165.01939	7.9
167.05011	1.5
171.04562	2.6
173.06042	1.5
174.03174	1.4
175.04010	18.5
177.01976	3.0
178.02682	1.5
179.03513	3.9
182.03703	2.4
183.04523	4.3
184.05344	2.8
187.07719	1.9
189.05585	1.5
191.03493	2.6
191.07091	1.4
193.05077	3.0
195.04495	3.2
196.05292	3.5
197.04565	2.3
197.06203	2.5
198.03238	3.0
199.04031	16.0
200.04861	2.9
201.01891	3.1
201.05704	2.0
209.06096	1.4
210.03244	6.9
210.06927	1.9
211.04007	15.7
211.07672	5.2
212.04765	1.7
213.05588	4.1
213.09288	3.1
213.31526	1.3
215.07147	2.1
217.05048	5.5
217.08705	3.8
221.06126	2.4
223.03999	11.8
224.04842	13.2
225.05547	3.3
226.02731	1.6
226.06377	1.5
227.03546	12.2
227.07140	5.6
228.04268	3.5
228.07915	1.9
229.08778	1.8
235.05968	2.7
237.05545	2.4
237.09308	1.7
238.06421	2.5
239.03511	6.0
239.07155	39.0
240.04224	7.6
240.07880	2.4
241.05032	6.0
241.08696	1.4
243.03040	2.6
245.08218	3.2
247.07504	2.1
249.05626	3.9
250.02603	1.5
251.03479	3.5
251.07158	1.9
251.11006	2.1
253.05215	1.6
253.08685	3.2
255.03073	6.6
255.06642	2.0
255.10214	2.0
256.03796	1.8
256.07437	2.0
257.04486	2.1
257.08218	16.7
261.09274	3.4
262.06448	2.5
263.07065	5.9
265.04895	3.1
266.02161	2.7
267.03009	24.4
267.06308	2.0
267.06784	1.8
268.03763	18.8
269.04797	1.7
271.10117	1.6
275.07343	1.5
275.10745	1.7
277.05109	1.3
277.08691	2.8
279.06653	2.5
279.10278	4.4
281.04477	1.5
281.08206	3.0
283.02548	14.3
284.03287	10.4
285.04077	33.0
285.09067	1.8
289.04910	1.9
290.05844	3.3
291.06613	4.0
291.09769	1.6
292.07214	1.5
293.04535	2.7
293.08023	1.6
293.11765	1.8
295.08701	2.5
297.11209	3.5
303.06747	2.5
303.10168	2.9
304.07159	1.9
307.06088	5.2
308.06979	3.4
309.04037	2.7
316.36139	1.4
318.05283	2.7
319.09711	4.3
321.04321	2.0
321.07678	6.9
321.11310	5.0
322.08325	1.6
329.08109	2.4
331.06439	1.9
335.05545	4.1
335.09195	2.7
336.06403	5.6
337.10791	2.9
339.08606	2.0
347.09265	31.0
355.11865	9.7
359.07745	2.3
359.67636	1.4
361.10812	1.5
364.09796	2.1
365.10318	93.1
365.44937	1.4
371.09616	2.8
383.11328	6.6
389.10342	15.6
407.11459	5.7
431.11166	2.7
513.10767	1.5
514.11023	1.6
530.10675	3.5
531.11481	43.6
532.12213	23.8
532.19812	1.9
533.14716	3.3
551.15820	15.5
569.16986	8.2
587.17438	2.9
593.16412	6.4
595.18616	8.2
611.17719	100.0
612.18097	2.4
623.13885	3.0
628.17963	2.6
629.18860	30.2
703.20679	1.8
721.21277	9.8
869.20984	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	1011.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	4.2
95.01374	1.4
96.96008	3.1
107.61722	1.2
108.02174	1.7
109.02967	8.8
121.02952	3.4
123.04541	1.9
124.01677	3.0
125.02462	57.8
132.02187	7.0
133.02972	5.7
134.03732	4.0
135.04565	6.1
137.02441	5.6
147.00893	3.1
147.04590	2.2
149.02443	12.4
159.04474	1.8
160.01666	12.5
161.02464	19.2
163.00392	2.8
164.01190	2.5
165.01939	7.9
167.05011	1.5
171.04562	2.6
173.06042	1.5
174.03174	1.4
175.04010	18.5
177.01976	3.0
178.02682	1.5
179.03513	3.9
182.03703	2.4
183.04523	4.3
184.05344	2.8
187.07719	1.9
189.05585	1.5
191.03493	2.6
191.07091	1.4
193.05077	3.0
195.04495	3.2
196.05292	3.5
197.04565	2.3
197.06203	2.5
198.03238	3.0
199.04031	16.0
200.04861	2.9
201.01891	3.1
201.05704	2.0
209.06096	1.4
210.03244	6.9
210.06927	1.9
211.04007	15.7
211.07672	5.2
212.04765	1.7
213.05588	4.1
213.09288	3.1
213.31526	1.3
215.07147	2.1
217.05048	5.5
217.08705	3.8
221.06126	2.4
223.03999	11.8
224.04842	13.2
225.05547	3.3
226.02731	1.6
226.06377	1.5
227.03546	12.2
227.07140	5.6
228.04268	3.5
228.07915	1.9
229.08778	1.8
235.05968	2.7
237.05545	2.4
237.09308	1.7
238.06421	2.5
239.03511	6.0
239.07155	39.0
240.04224	7.6
240.07880	2.4
241.05032	6.0
241.08696	1.4
243.03040	2.6
245.08218	3.2
247.07504	2.1
249.05626	3.9
250.02603	1.5
251.03479	3.5
251.07158	1.9
251.11006	2.1
253.05215	1.6
253.08685	3.2
255.03073	6.6
255.06642	2.0
255.10214	2.0
256.03796	1.8
256.07437	2.0
257.04486	2.1
257.08218	16.7
261.09274	3.4
262.06448	2.5
263.07065	5.9
265.04895	3.1
266.02161	2.7
267.03009	24.4
267.06308	2.0
267.06784	1.8
268.03763	18.8
269.04797	1.7
271.10117	1.6
275.07343	1.5
275.10745	1.7
277.05109	1.3
277.08691	2.8
279.06653	2.5
279.10278	4.4
281.04477	1.5
281.08206	3.0
283.02548	14.3
284.03287	10.4
285.04077	33.0
285.09067	1.8
289.04910	1.9
290.05844	3.3
291.06613	4.0
291.09769	1.6
292.07214	1.5
293.04535	2.7
293.08023	1.6
293.11765	1.8
295.08701	2.5
297.11209	3.5
303.06747	2.5
303.10168	2.9
304.07159	1.9
307.06088	5.2
308.06979	3.4
309.04037	2.7
316.36139	1.4
318.05283	2.7
319.09711	4.3
321.04321	2.0
321.07678	6.9
321.11310	5.0
322.08325	1.6
329.08109	2.4
331.06439	1.9
335.05545	4.1
335.09195	2.7
336.06403	5.6
337.10791	2.9
339.08606	2.0
347.09265	31.0
355.11865	9.7
359.07745	2.3
359.67636	1.4
361.10812	1.5
364.09796	2.1
365.10318	93.1
365.44937	1.4
371.09616	2.8
383.11328	6.6
389.10342	15.6
407.11459	5.7
431.11166	2.7
513.10767	1.5
514.11023	1.6
530.10675	3.5
531.11481	43.6
532.12213	23.8
532.19812	1.9
533.14716	3.3
551.15820	15.5
569.16986	8.2
587.17438	2.9
593.16412	6.4
595.18616	8.2
611.17719	100.0
612.18097	2.4
623.13885	3.0
628.17963	2.6
629.18860	30.2
703.20679	1.8
721.21277	9.8
869.20984	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	1011.389
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	3.1
81.57969	1.1
94.06593	1.4
94.96763	1.2
101.02439	1.3
104.10971	1.4
106.06647	2.9
117.03466	1.6
122.06120	2.6
132.02171	4.6
132.04517	1.5
133.02989	5.7
134.03781	18.2
134.06133	14.4
135.04497	4.2
147.04605	1.5
149.06105	2.7
152.07169	3.4
160.01680	21.5
161.02397	10.0
175.04031	18.5
176.04790	5.9
179.03511	2.8
191.07152	6.1
193.05144	9.7
207.06760	1.3
213.10321	2.5
225.10410	2.7
227.12044	1.7
235.06134	5.6
235.08455	1.4
237.10281	2.6
238.07445	1.3
239.11931	3.3
241.13464	2.9
249.10413	2.5
251.08307	2.7
251.11893	2.9
252.09065	1.8
253.09808	2.8
254.33914	1.2
263.08246	3.2
264.09079	1.7
265.09818	3.6
267.11334	3.3
277.09854	6.1
278.07007	1.4
278.10349	1.4
279.07776	2.5
279.11389	3.5
285.12561	3.4
291.07959	1.6
291.11264	1.5
292.08588	2.0
292.56830	1.0
293.09348	6.4
294.10144	1.9
295.10901	4.0
305.09412	2.5
306.10327	1.3
307.10886	3.9
308.11569	1.3
309.12476	2.0
321.08755	3.1
333.08875	1.6
339.09848	3.0
351.09924	2.1
356.14108	2.3
358.15625	1.6
384.13138	1.6
396.13431	1.2
398.14993	2.5
400.16574	4.9
410.15048	2.2
412.16739	2.7
425.17749	1.8
442.17844	1.7
458.17261	1.5
468.15768	2.3
486.16699	2.2
592.70605	1.3
620.22418	4.5
626.44360	1.2
633.90503	1.3
638.23602	5.3
648.21924	2.7
666.22992	7.5
686.44751	1.3
743.29132	1.3
768.85034	1.4
771.28937	5.1
803.31262	9.0
825.26740	1.9
842.27972	23.0
856.29449	5.9
874.30328	1.3
888.32452	7.4
903.34955	7.5
947.33588	58.7
948.34235	3.3
979.36304	100.0
980.36340	4.5
1011.38647	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	1015.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	18.4
72.99308	1.3
73.02953	9.8
83.01409	6.1
85.02959	12.6
87.00899	1.3
89.02443	1.9
95.01416	2.1
99.00893	3.2
101.02452	27.8
108.60327	1.0
112.98822	1.2
113.02464	13.7
119.05079	0.9
133.03024	2.4
134.03731	1.3
135.04532	7.9
159.03036	2.2
161.02507	5.3
161.04570	8.3
161.17661	1.0
163.04027	1.4
179.03520	2.8
197.04509	1.3
263.15009	50.9
305.16089	38.0
326.11404	1.2
348.58701	2.3
349.14868	1.2
349.18710	4.1
359.07806	1.3
453.30426	2.5
485.32794	8.2
503.33838	100.0
504.33990	2.9
580.23584	1.1
919.57330	1.1
948.86835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99319	6.3
74.02475	3.8
76.35007	1.0
87.05644	1.4
99.05638	2.8
108.02203	1.4
109.02966	52.3
109.06106	1.2
115.05640	1.1
121.02946	4.5
123.04516	1.5
127.05235	1.2
128.03566	9.2
129.33881	1.1
133.03038	1.8
133.23129	1.2
135.04594	2.1
135.05540	2.1
136.11137	1.2
139.02251	2.4
143.04655	12.3
145.03018	1.6
146.35399	1.0
147.04562	2.2
151.04012	2.0
151.99387	1.2
155.01717	5.9
159.04555	5.3
159.82808	1.2
161.02425	1.2
167.01735	26.7
173.02428	2.7
179.04706	1.4
183.31363	1.1
185.02472	26.2
186.03244	6.0
192.22011	1.3
199.30095	1.2
209.06204	1.9
210.08888	2.5
211.00732	7.0
221.06139	2.5
224.04790	2.8
225.05536	3.3
229.01775	71.5
230.02199	1.1
232.05246	1.4
237.05573	1.5
239.07108	3.5
249.05626	8.3
251.03523	2.9
252.04247	3.8
254.07808	4.0
265.05005	2.2
267.06744	6.5
269.08185	4.1
272.08902	15.9
277.05087	13.1
279.03009	8.1
280.03790	8.6
281.57507	1.3
293.04633	6.2
295.06146	37.1
297.60669	1.1
313.07169	1.7
319.02234	1.2
321.04065	22.0
339.05115	100.0
353.01193	1.8
373.07159	1.4
425.25018	1.2
473.08698	1.3
484.10208	1.2
485.37067	1.2
488.17719	1.3
502.11398	30.8
519.09351	4.5
550.98724	1.9
551.06421	14.1
559.74872	1.1
594.13751	6.2
626.10333	1.4
652.58417	1.3
695.12000	3.1
700.41821	1.7
749.11578	1.3
798.17725	2.0
806.16254	1.4
824.16187	26.0
825.15979	1.4
842.17664	2.2
1022.21234	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	1022.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99314	12.8
74.02486	13.9
82.02959	2.4
86.02486	6.0
87.05676	2.1
99.05655	13.6
101.07236	2.0
102.05608	1.6
103.31284	1.2
107.05048	2.4
108.02209	2.2
109.02969	34.4
109.04131	1.4
112.04042	1.7
121.02962	6.3
123.04510	2.4
128.03555	38.9
133.02980	1.9
135.04536	5.9
135.05647	4.2
139.02240	9.6
141.06746	1.8
143.04639	54.9
145.02971	2.6
145.06221	2.5
146.04601	5.2
147.04585	2.0
151.04021	3.4
153.06712	1.6
155.01736	26.0
157.02959	2.3
159.04501	3.0
166.09869	2.4
167.01730	27.1
167.04686	2.1
173.02477	4.6
179.04675	10.0
183.01349	1.4
184.01588	1.9
185.02455	30.3
185.05757	1.5
186.03185	4.9
193.06601	2.0
197.05855	1.6
201.01907	1.8
203.03542	1.8
209.06091	2.2
210.08871	15.5
211.00734	16.5
219.04716	1.4
221.06096	6.7
225.05676	2.2
229.01764	54.8
232.05254	1.4
232.20782	1.2
236.04590	1.4
237.05577	2.0
239.07106	2.3
247.03917	2.6
248.04797	3.3
249.05580	14.9
250.05975	1.6
251.03520	5.7
252.04382	2.8
254.07845	16.9
265.05075	7.6
266.05576	1.7
267.06616	3.6
272.08902	70.5
276.04324	1.7
277.05057	16.8
279.02991	17.9
280.03818	5.6
293.04620	20.8
295.06143	27.1
303.02917	2.5
306.07626	2.0
321.04062	100.0
322.04703	2.0
339.05112	27.0
353.01270	3.0
373.07202	10.3
484.10349	7.4
502.11441	99.0
503.11624	2.8
519.09302	35.7
525.09009	3.3
551.06531	38.0
552.07458	1.7
576.12384	2.3
594.13721	6.6
695.11884	3.2
798.18463	2.6
824.16266	46.5
842.17365	3.2
1022.20441	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	1023.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85214	0.5
72.99313	9.0
83.74700	0.3
84.99302	0.8
87.00884	5.1
89.03966	0.6
98.79277	0.4
107.05018	0.5
109.02978	0.4
111.00890	1.6
112.98821	16.7
117.03486	1.6
123.04542	1.3
127.00389	1.0
130.99875	1.1
132.02199	2.6
133.02986	4.4
134.03758	32.8
135.04543	31.8
136.01700	0.8
136.04900	0.4
137.02472	1.1
139.04039	0.4
145.02979	0.4
146.03781	0.5
147.04538	0.8
148.01736	0.5
148.05305	0.9
149.06088	8.8
151.04024	1.5
153.05579	0.7
154.99857	0.6
158.03743	1.1
159.04541	1.4
160.01685	10.1
161.02464	25.5
162.03249	12.4
163.03995	1.3
173.02451	0.9
173.06204	0.4
174.03238	0.8
175.02493	0.8
175.04016	14.2
176.04768	3.1
177.05588	5.1
178.02747	4.6
179.03519	14.7
185.02486	1.0
186.03209	1.8
189.01857	0.7
190.02719	8.8
191.07158	4.2
193.05074	14.1
194.02350	0.3
197.04562	7.2
201.01920	0.4
201.05576	1.0
202.02740	3.9
204.04298	1.5
205.05072	8.0
207.06618	0.6
217.04863	0.4
218.02193	3.5
219.06607	2.0
223.76086	0.3
229.01530	0.5
230.02217	4.1
233.04572	42.7
235.06152	2.7
245.04529	4.9
248.03488	0.6
250.01157	0.6
263.05664	2.0
289.03580	3.0
307.04626	100.0
308.05051	1.8
323.07813	0.7
325.05637	0.4
341.08871	2.9
359.07324	17.8
360.08157	0.5
501.10294	0.8
513.55133	0.4
521.13025	27.5
522.13330	0.8
591.31927	0.4
686.84003	0.4
820.57092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	7.6
84.99336	0.6
87.00883	4.3
89.03989	0.8
103.96706	0.2
108.02180	0.5
109.02975	0.4
111.00888	1.5
112.98825	16.1
117.03462	1.1
121.03008	0.3
123.04510	0.7
127.00394	1.3
130.99867	1.3
132.02200	2.1
133.02972	1.9
134.03755	30.2
135.04544	4.7
136.01747	1.0
137.02440	1.2
138.29657	0.2
139.00418	0.3
139.04059	0.2
144.02138	0.3
145.02988	0.3
146.03754	0.7
147.04564	1.1
148.01671	0.6
148.05345	0.5
149.02457	0.3
149.06097	9.5
150.03232	0.3
151.04019	1.2
153.05591	0.6
154.99866	0.6
157.23293	0.2
158.03706	1.1
159.04559	1.1
160.01682	10.0
161.01094	0.3
161.02466	10.4
162.03247	11.7
163.03983	1.5
165.05638	0.4
173.02438	0.6
173.06139	0.4
174.03270	0.8
175.04016	14.1
176.04791	3.3
177.01958	0.3
177.05571	4.8
178.02731	4.1
179.03488	2.0
185.02489	1.1
186.03246	1.5
189.01945	0.3
189.05608	0.2
190.00993	0.3
190.01404	0.2
190.02722	8.1
191.07150	4.6
193.05070	13.7
197.04565	2.5
201.01997	0.4
201.05656	1.0
202.02739	3.5
203.03519	0.5
204.04315	1.1
205.05078	8.1
205.07024	0.4
207.06737	0.5
214.02785	0.4
217.05058	0.5
218.02237	3.5
219.06651	1.9
230.02226	3.5
233.04561	42.5
234.04892	0.5
235.06100	3.4
245.04561	4.4
248.03291	0.7
250.01172	0.6
261.04031	0.5
263.05554	2.2
289.03543	3.5
295.06189	0.3
307.04617	100.0
308.04977	1.4
316.54773	0.2
341.08871	0.2
359.07983	2.1
359.09769	2.1
501.10403	0.7
513.84955	0.2
521.13013	3.0
608.25250	0.2
671.32074	0.2
922.94116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99319	4.8
98.22631	1.4
106.63610	1.4
108.02194	4.9
109.02969	80.8
120.54331	1.3
121.02951	2.1
123.04570	2.8
135.04543	17.9
145.02950	3.5
147.04544	4.1
157.02975	5.4
158.03711	1.6
159.04532	16.0
161.02467	3.1
173.02458	7.7
175.04008	4.8
179.03510	4.7
185.02457	66.4
186.03255	11.0
197.04607	3.0
203.03508	6.7
221.05980	2.2
224.04834	1.9
249.05600	3.5
253.05049	3.5
267.06607	4.4
277.05109	3.4
280.03549	1.5
293.04556	3.9
295.06161	100.0
296.06540	2.5
313.07166	7.5
321.04156	7.2
339.05194	3.8
486.31863	1.7
487.14038	26.4
491.09488	1.5
493.11444	34.9
519.09552	2.3
537.10449	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	1025.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	3.6
80.52860	1.4
81.31667	1.2
88.98820	1.2
108.02172	2.2
109.02963	70.9
118.91278	1.2
121.02942	2.0
123.04528	2.3
131.05043	1.2
134.03778	1.8
135.04553	12.0
145.02977	3.0
147.04510	4.8
157.02956	5.7
158.03772	1.4
159.04543	13.6
164.14986	1.1
173.02460	9.5
175.03990	2.5
179.03497	4.4
185.02452	57.9
186.03246	8.7
197.04575	2.3
203.03543	5.5
209.11734	1.1
249.05557	2.4
251.07109	1.5
253.05119	2.8
267.06754	2.8
269.08069	1.3
277.05090	4.6
279.03067	1.6
293.04755	1.6
295.06131	100.0
313.07025	6.7
321.04102	3.7
339.05106	4.0
455.15012	2.6
487.17859	16.5
493.11490	31.4
519.09070	2.0
537.10345	5.9
746.88342	1.6
763.86279	1.3
956.36383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43947	0.5
72.99322	7.1
80.67252	0.5
83.32283	0.5
87.00880	0.6
90.05547	0.4
95.05050	0.6
101.14712	0.5
105.03475	0.7
107.05020	1.1
108.02185	1.7
109.02969	57.8
112.98791	0.6
117.03444	1.0
119.05051	3.3
121.02985	2.5
122.61504	0.4
123.04555	6.1
129.03453	0.7
133.02982	8.9
134.03761	4.8
135.04544	51.9
136.04919	0.6
145.02942	4.3
147.04556	6.6
149.02495	0.6
149.06110	0.8
151.04025	5.0
157.02972	3.1
158.03738	1.3
159.04527	14.2
160.01680	1.0
161.02464	16.0
161.06085	0.7
162.03241	1.8
163.04073	1.1
173.02451	6.5
174.03246	1.0
175.03999	4.2
177.01929	2.4
177.05585	1.8
178.02698	0.6
179.03520	33.7
180.03824	0.5
185.02461	40.1
186.03239	5.4
191.03566	0.8
193.05075	0.6
197.04565	6.0
203.03568	8.1
213.09285	0.6
215.03598	0.6
221.04353	2.2
223.07677	1.3
225.05531	1.0
225.09346	0.8
227.96861	0.5
233.04565	2.0
239.07182	1.7
241.08704	3.3
248.04810	0.9
249.05624	1.7
250.06525	0.5
251.07184	2.2
253.05113	1.9
265.05026	0.5
267.06717	2.3
269.08240	2.2
277.05042	1.8
278.05475	0.6
280.03775	0.6
285.07599	0.6
293.04532	1.3
295.06146	100.0
296.06412	2.4
302.34491	0.4
307.01569	0.5
307.04520	2.8
313.07233	12.4
357.02051	0.6
357.06207	8.9
359.07742	6.1
383.07825	0.7
429.51773	0.6
493.11447	21.6
494.11902	0.7
537.10504	3.7
545.66290	0.5
787.39142	0.5
830.29700	0.7
993.10016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99323	6.1
81.03465	1.1
93.03470	3.6
108.02179	3.7
109.02963	69.2
111.00275	1.1
121.02967	13.6
123.04517	5.5
124.35087	1.2
133.02950	5.3
135.04552	18.3
145.02960	8.7
147.04491	4.6
148.41568	1.1
149.02414	1.3
151.04005	4.9
157.02997	3.3
158.03725	2.6
159.04520	7.3
161.02460	8.1
173.02458	9.9
174.03168	3.4
179.03517	5.6
183.04381	1.4
185.00853	2.5
185.02435	30.3
186.03223	7.5
190.30797	1.4
193.06581	4.4
195.04439	2.4
196.05367	2.1
197.04533	6.7
205.06725	1.6
208.05397	1.7
209.06090	5.4
211.07622	2.5
213.05536	1.8
219.04515	5.5
220.05333	5.9
221.06108	12.5
223.03917	2.4
223.07675	1.7
224.04784	3.7
225.05667	5.9
232.05394	3.2
233.06088	1.9
235.03972	3.2
236.04704	1.5
237.05562	10.6
239.03586	1.3
239.07167	7.3
243.06609	2.0
247.04022	5.2
248.04829	11.4
249.05602	22.3
250.02742	1.4
250.06267	5.6
251.03490	10.8
251.07016	1.8
252.04237	5.4
253.05054	2.6
254.05898	1.4
255.06775	1.4
263.03644	1.7
264.04254	4.8
265.05066	22.3
266.05811	6.6
267.06635	60.6
268.07040	1.3
269.08167	4.8
275.03604	7.4
276.04285	3.9
277.05023	15.8
278.05368	1.6
279.03000	42.2
280.03745	9.8
281.08093	2.6
282.05084	1.3
283.05991	2.7
292.03690	1.6
293.04578	98.1
294.05084	1.6
295.06143	42.9
296.06451	1.7
303.03015	2.8
311.05615	39.5
313.07013	2.8
321.04053	100.0
322.04456	3.1
339.05103	41.1
403.11765	2.1
491.09915	6.9
493.10901	2.0
509.10916	2.2
519.09399	32.1
520.09210	1.5
633.10468	36.0
651.11554	18.4
805.17480	4.1
831.15784	39.3
878.53009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	3.7
80.64481	0.5
81.03486	0.7
93.03442	0.7
98.21844	1.0
108.02183	2.5
109.02964	45.2
115.05538	0.6
117.03512	0.7
121.02964	2.8
123.04525	2.1
133.03008	2.8
134.03728	0.9
135.04549	8.0
137.02446	0.6
145.02948	4.3
147.04572	2.9
149.02419	1.8
157.02963	1.9
158.03735	1.4
159.04520	4.1
160.01736	0.7
161.02478	4.9
165.07166	0.6
173.02449	4.1
174.03217	2.5
175.04019	2.2
179.03481	3.3
185.02457	26.4
186.03229	5.0
187.04004	0.8
191.03519	1.9
193.06589	2.7
195.04546	0.8
196.05348	1.1
196.07162	0.5
197.04573	2.7
197.06111	0.9
202.02727	0.9
203.03516	0.9
204.05777	1.5
205.06505	0.6
208.05392	1.0
209.06114	2.3
211.07716	0.8
213.01843	1.0
213.05571	1.0
219.04672	1.2
220.05296	1.8
221.06104	6.9
223.04063	1.4
223.07726	1.1
224.04785	1.3
225.05518	2.9
229.01555	1.2
232.05283	1.8
235.04132	0.8
236.04846	0.9
237.05576	3.8
238.06294	1.0
239.07141	3.7
247.04002	2.0
248.04829	3.8
249.05597	12.3
250.02702	1.0
250.06323	2.1
251.03506	7.0
251.07124	1.3
252.04315	3.1
253.05072	2.1
255.06625	0.9
263.03494	1.1
264.04236	1.6
265.05106	10.0
266.05820	2.9
267.03775	1.1
267.06641	21.3
268.45447	0.6
269.08218	0.7
275.03439	1.6
276.04233	2.4
277.05090	16.0
277.08057	1.0
278.02237	0.6
278.20325	0.6
279.03027	34.3
280.03732	7.0
282.05344	0.6
283.06137	2.1
292.03656	1.6
293.04587	17.5
294.05258	1.1
295.06152	29.7
296.06430	0.9
303.03015	3.1
311.05646	14.8
313.07178	0.8
321.04059	100.0
322.04309	2.0
339.05115	29.4
340.05249	0.7
341.06610	0.6
349.03653	3.5
471.07178	4.1
491.10068	0.7
493.11493	4.2
509.11072	4.8
519.09393	61.2
520.09900	1.5
537.10455	2.0
633.10535	15.9
643.43878	0.5
651.11365	8.5
652.11584	0.6
717.15253	0.9
805.17407	1.3
831.15790	22.7
832.16565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.211
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33704	0.5
72.99314	5.8
93.03503	0.6
95.01379	0.6
107.06489	0.5
108.02196	2.1
109.02965	44.8
115.05500	0.6
117.03492	0.8
121.02982	2.7
123.04526	2.5
123.69843	0.5
132.02188	1.3
133.02971	14.0
134.03761	1.4
135.04543	22.5
137.02432	0.6
141.03436	0.7
143.62616	0.6
145.02924	1.8
147.04497	3.2
148.34389	0.6
149.02455	11.4
150.03264	4.5
151.04036	0.8
157.02965	2.4
158.03726	0.9
159.04544	3.4
161.02464	42.6
163.04033	0.7
165.07115	0.7
173.02428	3.2
175.04100	1.0
177.01964	1.0
179.03535	9.0
180.25549	0.6
185.02449	34.0
186.03224	8.7
191.03513	2.1
193.06598	2.2
195.04480	1.2
197.04578	6.3
197.06180	1.1
201.01994	1.1
205.06505	1.1
207.04462	0.8
208.05420	0.6
209.06090	3.2
211.07681	0.8
213.01997	1.6
214.50652	0.6
219.04593	1.3
220.05363	2.5
221.06065	8.2
223.04063	1.4
223.07813	0.8
224.04817	2.3
225.05559	4.8
225.92938	0.5
231.04538	0.8
232.05319	2.1
233.06218	1.4
235.04074	1.2
237.05521	3.7
239.07193	3.0
247.04033	1.7
248.04761	4.4
249.05598	13.7
250.02673	0.7
250.06313	1.0
251.03578	6.2
251.07190	1.2
252.04291	3.8
253.05150	2.3
255.06592	0.7
259.04044	0.6
261.05621	1.1
263.03586	0.7
264.04300	2.4
265.05081	9.8
266.05807	2.5
267.06592	7.8
268.77545	0.6
269.08218	0.9
275.03513	1.9
276.04315	3.4
277.02072	1.3
277.05096	20.7
278.02435	0.7
278.05557	1.2
279.03015	25.0
280.03815	8.2
291.03076	1.2
291.06378	0.9
292.00775	0.7
292.03864	2.5
293.04596	24.2
294.05319	1.8
295.06143	37.8
296.06485	0.9
303.02969	3.0
304.03873	1.1
305.04758	0.8
311.05658	3.3
313.07205	1.6
318.23947	0.6
319.02582	1.9
321.04068	100.0
322.04498	4.8
329.06714	0.8
339.05118	89.5
340.05478	3.3
359.07733	18.1
416.20270	0.7
427.08484	1.0
445.09485	2.3
471.07230	16.3
472.07968	1.8
473.08792	14.7
474.09311	0.7
483.07407	1.2
491.09918	3.8
493.11343	0.6
509.11185	1.4
519.09357	14.6
521.10742	0.6
633.10736	1.7
651.11652	2.4
669.12982	1.3
681.12775	3.0
803.78778	0.7
805.18347	2.4
831.15808	34.0
832.16162	1.6
849.17261	1.5
924.78253	0.8
1060.37427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99314	2.7
81.03460	0.6
93.03483	0.5
103.09718	0.3
107.01381	0.5
108.02209	1.2
109.02969	23.9
113.04015	0.7
115.05536	0.4
121.02985	0.8
123.04542	0.9
133.02959	1.9
134.03732	0.4
135.04544	7.3
145.03008	1.0
147.04559	1.3
149.02481	2.2
150.03244	0.8
150.98933	0.4
151.04048	0.6
154.61404	0.4
157.02982	1.2
158.03760	0.6
159.04581	1.9
161.02472	6.1
167.37587	0.3
173.02473	1.4
173.18152	0.3
174.03271	0.5
175.04088	0.5
179.03554	4.1
184.01624	0.7
185.02451	20.3
186.03278	4.2
186.25015	0.4
193.06599	1.2
197.04546	3.2
198.03358	0.5
203.03557	0.4
204.05882	0.5
205.06622	0.6
209.06073	1.5
211.07631	0.4
213.01929	0.5
219.04544	0.8
220.05276	1.0
221.06081	3.4
223.04129	1.4
224.04854	0.7
225.05591	1.8
229.01445	0.5
232.05368	1.2
236.04875	1.0
237.05591	1.7
239.07109	1.7
246.60394	0.4
247.04036	1.4
248.04846	2.8
249.05597	8.3
249.08025	0.7
250.02736	0.8
250.06258	0.7
251.03506	4.7
252.04291	2.0
253.01346	0.4
253.04947	0.7
264.04227	1.3
265.05093	6.5
266.05746	1.0
267.06635	5.6
275.03534	1.7
276.04260	1.7
277.05090	13.7
278.02527	0.5
278.05521	0.8
279.03021	16.8
280.03760	5.0
283.06116	0.8
292.03760	0.5
293.04620	13.7
294.05289	1.4
295.06161	21.4
303.03018	2.4
311.05511	4.2
311.08276	0.4
321.04065	100.0
322.04510	3.0
329.06757	1.0
339.05127	32.9
340.05527	0.7
359.07697	0.9
457.09247	0.5
471.07492	1.5
473.08997	1.0
475.10004	0.6
491.09805	0.8
493.11398	1.9
509.10867	6.6
519.09393	61.0
520.09442	1.8
537.10358	0.9
633.10431	0.4
651.11639	0.6
669.12750	0.9
683.55573	0.5
831.15497	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	1029.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99321	5.8
74.59613	0.7
79.22218	0.6
81.03452	0.8
82.08311	0.6
91.01871	0.7
95.05030	1.5
96.96008	1.2
105.03463	2.5
107.05032	0.8
108.02172	2.6
109.02965	44.2
117.03477	1.2
121.02982	2.5
122.06130	1.6
123.04536	3.4
129.03543	0.6
132.02232	0.9
133.02963	19.5
134.03766	2.7
135.04536	24.4
137.02487	0.7
145.02960	3.2
146.03755	0.8
147.04530	3.0
149.02467	11.6
150.03252	4.2
151.04041	1.0
152.07214	1.8
154.75505	0.6
155.02219	0.6
157.02899	3.4
159.04539	5.3
160.01666	1.1
161.02458	38.7
163.04082	0.8
169.65955	0.7
173.02455	3.6
174.03204	1.9
175.04022	0.7
177.01988	4.5
179.03537	12.2
179.05017	0.6
180.99585	0.7
185.02457	36.7
186.03215	6.2
191.03549	1.7
193.06596	2.8
197.04543	6.6
197.06143	1.0
197.41725	0.8
207.04536	0.7
209.06145	2.6
211.04083	0.9
211.07649	1.0
213.01926	1.9
213.05586	1.1
213.10472	0.9
219.04596	1.5
220.05373	1.9
221.06122	5.7
223.04097	1.2
223.07510	1.0
224.04799	2.1
225.05499	4.2
229.01480	2.5
231.04506	0.8
232.05391	1.2
235.04108	1.3
237.05545	4.0
239.07140	2.7
240.04288	0.9
241.05261	0.8
247.04103	3.0
248.04759	4.4
249.05576	14.0
250.02628	0.7
250.06442	1.4
251.03574	7.1
252.04268	3.8
253.04967	2.1
255.06631	1.2
259.03918	1.0
263.03458	1.4
264.04263	1.9
265.05096	9.7
266.05881	2.1
267.06601	10.9
269.08212	1.9
275.03485	1.8
276.04327	3.5
277.05072	20.6
278.05789	0.9
278.99918	1.4
279.03003	22.8
280.03757	7.0
281.04401	1.1
283.06140	2.1
285.12482	1.5
291.02942	1.1
292.03729	0.8
293.04599	20.3
293.09503	1.4
294.05273	1.9
294.73886	0.6
295.06143	37.1
296.06360	0.7
303.02933	4.0
304.03677	0.7
311.05606	8.2
313.07263	3.5
319.02573	2.1
321.04065	100.0
322.04544	3.1
329.06870	1.4
331.19220	1.2
332.19595	0.9
338.04456	0.7
339.05115	80.3
340.05392	1.2
345.06265	2.2
346.64981	0.7
357.06192	2.7
359.07776	13.7
427.08212	2.2
443.56900	0.7
445.09317	1.2
453.06067	3.2
457.08331	0.9
460.18793	0.8
471.07269	16.9
472.07825	1.1
473.08875	13.2
475.10223	0.7
483.07242	1.9
491.10010	3.8
493.11401	2.6
504.17752	0.9
507.09348	1.9
509.10907	4.3
516.12152	0.7
519.09375	42.8
520.10126	1.4
537.10864	1.3
550.22229	2.0
555.10443	0.9
565.24695	1.6
609.23755	1.7
633.10413	2.6
641.26111	9.9
651.11523	6.6
669.12439	1.0
671.14099	1.1
673.28741	6.8
681.12402	1.5
687.13416	1.4
717.15192	1.0
805.18030	1.8
831.15771	19.7
831.30652	1.4
849.17755	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	1037.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99351	0.4
85.02981	0.4
89.02459	3.0
95.01453	0.4
95.05059	0.3
99.04526	4.2
101.01884	0.2
101.02444	1.0
105.03516	0.3
113.02477	0.9
119.03504	1.3
125.02506	0.8
130.51340	0.2
131.03558	0.3
133.02997	1.4
134.03806	0.2
135.04527	2.4
135.05318	0.2
143.03618	0.3
145.02931	1.2
160.01639	0.9
161.02519	0.4
161.04596	0.5
163.04060	0.6
175.04085	0.8
177.01984	0.5
179.03574	0.5
179.05653	1.8
179.07190	0.5
191.08707	0.3
197.04561	0.5
207.08186	0.2
217.06657	0.2
219.08127	0.5
221.06209	0.5
233.06190	0.3
235.07608	1.7
236.08301	0.2
237.09364	0.5
239.07231	0.3
245.06169	0.5
247.07642	0.6
251.07207	0.5
253.06306	0.3
253.08638	1.8
262.06476	0.5
263.07117	4.2
264.07813	0.4
265.05612	0.2
265.08670	0.8
268.11057	0.9
273.05682	0.6
274.06470	0.4
275.07169	0.8
276.07877	0.4
277.08813	0.3
279.06732	0.2
279.10059	0.2
280.07486	0.7
281.08234	10.5
283.09857	0.2
290.05832	0.3
291.06668	3.2
292.07452	1.3
292.10312	0.2
293.08218	3.7
294.08990	1.7
295.09894	0.8
296.10617	2.7
305.07986	0.3
306.08752	0.4
307.09830	1.5
308.07144	0.3
308.10556	3.3
309.07724	44.3
310.07922	1.0
311.09302	0.8
323.09283	4.1
324.10040	38.6
325.10397	0.6
326.11758	1.0
339.12381	100.0
340.12735	2.0
341.14005	2.3
373.09030	0.5
440.91653	0.2
483.22278	0.3
663.28790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99327	0.4
85.02968	0.2
89.02466	2.5
91.05548	0.2
99.04533	11.8
101.02480	0.6
108.56247	0.2
113.02480	0.7
119.03507	1.1
123.04534	0.3
125.02486	0.7
131.53041	0.2
133.02960	0.4
134.03754	0.2
135.04559	1.6
143.03539	0.5
145.03003	0.9
154.37108	0.2
160.01712	0.7
161.02426	0.2
161.04593	0.3
175.04041	0.7
179.03557	0.4
179.05559	0.9
197.04568	0.4
222.06889	0.3
224.04837	1.2
230.30080	0.2
238.06465	0.8
239.07047	0.2
239.10872	0.5
241.08745	0.8
251.07175	0.5
252.04266	0.4
253.08942	0.3
254.09616	0.3
255.10365	3.0
256.10388	0.2
263.07156	0.2
265.08768	0.3
266.05878	1.2
266.09317	0.2
267.10352	0.8
269.11957	0.8
270.12570	1.0
271.09772	0.2
280.07401	0.2
281.08289	0.5
282.08884	0.5
283.09787	14.9
284.10284	0.3
293.08313	0.3
294.09012	0.9
295.09738	2.1
296.10474	1.4
297.11316	0.7
298.12152	2.2
309.07819	0.5
309.11349	1.2
310.08344	0.7
310.12149	1.3
311.09299	40.2
312.09671	0.8
324.09995	0.3
325.10809	2.9
326.11633	39.0
327.11938	0.7
339.12378	1.2
340.12830	0.8
341.13965	100.0
342.14343	2.0
373.09247	0.3
573.97021	0.2
1021.60516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
72.90452	0.2
72.99315	16.5
89.03976	0.4
89.50609	0.2
91.05518	0.3
93.03459	0.4
95.05051	0.5
99.04530	0.3
105.03463	0.9
107.05034	2.0
109.02956	0.9
117.03516	0.9
120.10481	0.2
121.02949	0.3
122.03741	0.2
123.04539	8.4
124.04861	0.2
132.02187	6.1
133.02972	3.9
134.03775	8.7
135.04538	100.0
136.04878	0.7
137.02525	0.2
145.02997	0.3
149.06087	0.4
151.04002	0.7
160.01674	27.4
161.02463	4.7
175.04016	38.8
176.04359	0.5
177.01929	1.8
178.02487	0.8
179.03514	30.9
180.03815	0.4
193.05104	2.4
197.04564	28.7
223.02438	0.5
283.09833	0.4
285.11401	0.4
311.09235	1.6
326.11584	0.8
329.10349	0.6
341.13986	2.5
355.08218	0.6
359.07700	0.5
373.09302	42.8
374.09787	0.7
487.12454	0.5
500.78546	0.2
503.33124	0.2
667.16388	1.4
790.14026	0.3
897.14990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	4.8
98.21881	2.2
108.02153	1.8
109.02964	81.0
110.61744	1.2
121.02944	2.0
123.04523	2.5
135.04538	13.1
145.02919	3.1
147.04556	3.8
149.02557	1.1
157.02950	5.0
158.03766	2.4
159.04527	14.1
173.02448	8.6
175.03998	2.8
179.03525	6.2
185.02454	68.1
186.03223	10.1
197.04585	3.2
203.03546	6.4
249.05597	2.9
253.05043	4.9
265.05032	1.8
267.06644	2.1
269.08182	2.1
277.05035	5.2
280.03757	1.6
293.04626	2.4
295.06143	100.0
313.07162	6.0
321.03976	4.1
328.33243	1.2
339.04922	1.8
493.11459	39.6
494.45975	1.3
503.17148	29.2
519.09387	2.6
537.10480	6.7
580.42755	1.5
641.65778	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	10.1
73.47920	0.3
75.42216	0.2
86.90240	0.3
99.12978	0.3
103.54946	0.2
105.01043	0.3
107.05081	0.6
109.02992	1.7
117.03485	2.0
123.04538	4.8
132.02168	2.5
133.02971	16.9
134.03729	1.3
134.13458	0.3
135.04538	31.0
136.04863	0.5
151.04082	0.6
155.10281	0.3
159.04494	0.4
160.01665	3.5
161.02461	100.0
162.02841	0.9
163.04106	0.4
169.75603	0.2
179.03514	25.1
180.03822	0.7
185.02423	0.7
186.02817	0.3
197.04573	18.2
203.03531	0.4
223.02444	0.4
271.02521	0.4
295.05951	0.8
296.06427	0.3
300.02716	0.5
321.04153	0.6
322.04550	0.5
323.07739	20.4
339.04926	0.5
341.08878	3.4
342.09018	0.7
359.07568	60.3
360.07852	1.6
521.13049	33.1
522.13049	0.8
609.14020	0.8
682.14191	0.7
683.14343	1.0
697.40625	0.4
1045.99280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.6607
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08522	3.3
91.92387	3.1
114.60680	3.6
133.02988	4.3
135.04517	6.9
141.05573	3.3
157.24963	3.9
158.85443	3.8
161.02565	7.5
161.54390	4.8
179.03494	7.6
262.89661	3.8
339.38083	3.8
396.78000	3.8
404.33081	4.2
503.33807	70.6
539.31445	100.0
559.98486	4.1
587.70709	4.5
786.12469	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	1045.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	3.2
76.82392	0.9
93.03463	1.7
103.12624	0.8
108.02159	0.9
109.02958	28.0
123.04562	1.4
126.87527	0.8
133.03033	1.1
134.03719	1.1
135.04523	8.7
145.02948	1.7
147.04552	1.8
149.02431	0.9
157.02966	2.3
159.04538	2.5
161.02452	1.4
173.02440	1.7
175.03973	1.2
179.03516	3.1
185.02455	25.9
186.03218	5.9
193.06625	1.6
197.04601	1.2
203.03596	1.0
209.06172	1.4
221.06053	3.6
225.05527	2.0
233.06161	1.0
237.05498	2.4
239.07135	1.6
247.04077	2.0
248.04829	2.9
249.05534	8.2
250.06612	1.2
251.03508	6.4
252.04318	2.8
264.04291	1.5
265.04996	7.9
266.05762	1.3
267.06598	4.6
276.04172	2.0
277.05096	14.0
279.03036	16.2
280.03793	6.2
292.03931	1.3
293.04584	12.1
295.06149	25.4
296.06680	1.0
296.67703	0.9
303.03033	2.2
305.04807	4.0
321.04053	100.0
322.04498	2.2
323.05515	2.0
339.05106	23.6
356.63013	0.8
440.42258	0.9
493.11365	3.1
503.09830	10.1
519.09381	95.7
520.09778	2.9
537.10516	3.3
603.71124	1.0
632.29718	1.0
918.29688	1.3
1012.63391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
73.55217	0.1
77.03986	0.2
89.03986	0.2
93.03434	0.2
95.05069	0.2
98.21813	0.3
104.02694	0.1
105.03480	0.8
108.02207	0.1
109.02956	1.1
115.01942	0.2
121.02923	0.1
122.03779	0.4
122.30518	0.1
123.04549	3.2
132.02176	2.3
133.02974	32.4
134.03242	0.2
135.04527	0.3
145.92899	0.1
149.02499	0.1
150.03265	0.9
151.04030	4.4
159.04547	0.6
161.02463	100.0
162.02785	0.9
163.04045	0.3
175.33904	0.1
177.01950	0.2
178.96053	0.1
179.03625	0.2
203.03499	0.2
269.08209	2.3
313.07211	38.0
314.07700	0.5
469.33267	2.0
485.32602	0.2
487.34369	0.2
503.12195	0.1
551.82318	0.1
606.24811	0.1
631.38239	0.3
649.39893	0.3
691.40265	0.1
776.72955	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	105.0348
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02393	1.2
53.89703	1.3
59.01384	24.3
63.02407	10.7
70.27958	2.4
72.99319	53.1
75.00883	56.7
75.69360	1.4
77.03978	36.9
78.04283	2.2
84.79225	1.2
95.05029	24.1
104.02694	3.8
105.01951	100.0
105.03470	65.8
105.04204	2.5
106.02282	3.9
106.03835	4.0
124.76865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.226
Annotation	Unknow
Peak:m/z	Relative Intensity
82.60812	0.4
85.48365	0.3
89.04005	0.4
93.03472	0.6
95.05061	0.5
99.00930	0.7
105.03477	0.9
107.05045	1.0
108.02187	2.2
108.45878	0.3
109.02968	53.0
112.98849	1.3
117.03460	0.5
121.02966	1.8
123.04549	5.9
124.86514	0.3
129.03510	0.7
130.04276	0.4
131.05051	0.9
132.02242	0.5
133.02979	7.7
134.02853	0.6
134.03769	7.3
135.04546	48.6
136.04817	0.4
139.04137	0.5
145.02983	2.1
146.03651	0.4
147.04549	5.1
149.02441	0.6
149.06065	1.0
151.04039	4.3
157.02963	3.1
158.03786	1.1
159.03198	0.6
159.04536	14.6
160.01701	1.4
161.02469	15.2
162.03271	2.6
163.03995	1.0
173.02472	5.5
174.03352	0.6
175.04008	4.5
177.01956	2.2
177.05550	2.1
178.02747	0.5
179.03523	31.9
185.02461	40.7
186.03214	4.9
187.03955	0.5
189.01891	0.4
190.02721	1.4
191.03468	0.4
192.87535	0.4
193.05093	1.4
196.05234	0.4
197.04546	6.1
197.06142	0.6
200.93210	0.3
203.03535	6.2
205.05040	0.6
207.03101	0.5
211.07796	0.4
213.09151	0.5
221.04495	2.1
222.06859	0.6
223.07655	1.1
225.05727	0.4
233.04532	3.5
239.07178	1.2
241.08704	2.4
243.10310	0.4
249.05623	1.2
251.07214	1.6
253.05124	1.8
254.05934	0.5
267.06708	1.6
269.08282	3.2
277.05096	2.9
278.05536	0.5
280.03745	0.9
285.07721	0.6
293.04669	1.2
294.05316	0.4
295.06149	100.0
296.06430	1.5
307.04691	4.5
313.07220	12.5
357.06180	9.3
359.07733	5.5
383.07800	0.9
406.37930	0.4
466.64212	0.4
493.11502	21.8
537.10596	3.8
882.86963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
75.76501	0.6
82.48742	0.6
99.36053	0.6
107.27516	0.6
108.02177	2.3
109.02967	42.7
121.02970	1.0
123.04523	2.3
133.02951	8.3
134.03770	1.5
135.04546	15.0
136.01691	1.3
137.02484	1.6
145.02959	1.4
147.00893	0.7
147.04524	2.5
149.02435	2.4
151.04106	0.9
157.02992	2.0
158.03745	0.7
159.04504	4.0
161.02470	22.8
162.02924	0.9
165.02063	0.7
173.02449	2.4
174.03242	0.7
175.04095	0.9
179.03539	9.2
179.05029	0.6
185.02460	31.6
186.03224	8.1
187.03906	0.6
193.06566	1.5
197.04533	2.8
198.03282	0.6
206.02142	1.1
208.05270	0.7
209.06102	2.4
213.01942	0.9
213.05721	1.0
219.04526	0.9
220.05370	1.8
221.06119	4.6
223.04044	0.8
224.04901	1.5
225.05556	4.6
232.05331	0.9
233.06194	0.7
236.04770	0.9
237.05565	2.2
239.07173	2.4
247.03915	0.9
248.04813	2.4
249.05589	9.1
250.06363	0.8
251.03523	4.7
251.05864	0.6
251.07266	1.1
252.04288	3.6
253.05090	1.4
260.04688	0.8
263.00510	0.8
263.03406	1.7
264.04382	1.2
265.05078	5.8
266.05869	2.3
267.06641	7.9
269.08212	1.4
274.54929	0.6
275.03546	1.5
276.04285	2.2
277.05103	15.3
278.05634	0.9
279.03015	19.5
280.03760	8.3
292.03885	1.1
293.04596	12.2
294.05261	1.5
295.06158	37.2
303.03094	1.5
311.05774	1.0
313.07196	1.4
321.04080	54.5
322.04700	1.5
339.05115	100.0
340.05347	1.9
341.06741	0.8
359.07718	7.8
379.04611	1.3
467.81357	0.8
473.08063	0.7
475.10037	0.6
493.11676	0.9
501.08386	16.8
503.09866	6.1
519.09338	7.8
521.10852	3.4
537.10681	0.9
549.10449	1.2
571.75531	0.8
681.12067	1.3
699.12848	0.7
786.52411	0.7
861.16931	3.7
983.69800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
77.21131	0.7
91.21926	0.7
98.16765	0.8
102.39523	0.7
108.02185	1.6
109.02965	34.9
110.03312	0.7
117.03452	1.4
121.02969	1.8
123.04527	4.1
132.02208	0.9
133.02971	9.2
135.04535	9.2
137.02411	1.5
145.02972	1.2
147.00946	0.7
147.04587	1.6
149.02464	2.8
151.03960	1.0
157.02991	1.1
159.04558	3.8
161.02467	23.9
165.01889	0.7
166.10335	0.7
173.02435	2.3
175.03996	0.7
179.03511	5.6
185.02458	23.9
186.03227	6.0
193.06511	0.9
197.04585	4.0
206.02223	1.3
209.06104	0.8
211.04169	1.1
211.06145	1.0
221.06166	2.4
223.04187	0.8
224.04865	1.9
225.05592	4.4
225.07690	0.9
237.05542	1.3
239.07143	2.7
247.03882	1.0
248.04767	2.0
249.05589	6.3
250.06207	1.3
251.03517	2.8
251.07237	1.0
252.04279	2.8
253.04993	1.4
265.05051	2.4
266.05844	2.0
267.06570	5.3
269.08047	1.6
276.04227	1.3
277.05066	10.1
279.03030	12.3
280.03802	5.7
293.04553	6.0
294.05460	1.1
295.06128	36.1
313.06995	1.0
321.04053	19.5
322.04498	0.9
326.04431	0.8
339.05118	100.0
340.05475	2.4
341.06628	1.5
359.07794	12.2
471.07101	1.4
473.08807	1.1
493.11319	0.9
501.08176	3.6
503.09369	1.0
519.09412	3.3
521.11060	8.7
537.10016	1.2
660.39856	0.9
667.83484	0.8
673.16144	1.0
699.13190	5.6
861.16614	2.2
959.91589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
90.88728	1.1
91.06485	1.0
96.96051	1.3
98.22662	1.2
108.02193	3.0
109.02969	40.1
119.73242	1.1
121.95124	1.1
123.04552	2.3
127.07661	2.3
133.02979	11.0
134.03766	1.2
135.04524	10.7
136.01686	1.3
137.02467	1.4
145.02969	1.1
147.04575	1.7
149.02571	2.3
153.05611	5.3
157.02942	3.0
159.04523	2.7
161.02478	27.3
171.06671	1.6
173.02492	1.9
179.03497	10.7
185.00859	2.4
185.02461	32.2
186.03270	7.4
192.84441	1.0
197.04552	2.4
197.06210	1.0
208.05312	1.7
209.06099	1.8
221.06169	4.3
224.04828	2.0
225.05571	3.3
236.04851	1.3
237.05560	1.9
239.07053	3.3
247.03825	1.6
248.04797	2.1
249.05602	9.1
250.06259	1.8
251.03418	3.5
252.04248	4.0
265.04999	5.2
266.05984	1.9
267.06485	5.6
269.07977	1.2
275.03436	1.3
276.04263	2.0
277.05075	14.9
279.03012	18.6
280.03683	8.8
293.04669	14.3
295.06171	34.2
313.07153	1.6
321.04080	64.2
322.04492	4.2
339.05130	100.0
340.05301	1.7
359.07736	8.1
439.16141	4.2
449.71063	1.2
475.10510	2.0
501.08362	18.0
502.08902	2.1
503.09747	8.8
519.09503	5.4
521.11084	2.7
569.20410	3.2
681.12628	2.1
861.16309	8.1
995.48395	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
89.93316	0.4
93.03446	0.6
98.21987	0.4
108.02171	0.7
109.02964	11.4
121.02952	1.2
123.04579	0.6
124.82439	0.4
133.02969	0.6
135.04541	3.6
159.04527	0.8
161.02429	1.9
179.03502	0.9
185.02460	1.8
201.02057	0.6
221.06021	0.8
222.76746	0.4
232.05481	0.5
233.06013	0.8
245.06136	1.1
249.05592	1.0
251.03462	0.5
253.05096	0.5
260.04807	0.7
261.05560	1.1
263.03531	0.6
263.07083	0.6
265.05020	0.6
267.06467	0.8
272.04816	1.0
273.05582	0.8
275.07141	0.4
276.04263	0.5
277.05093	1.9
278.05713	0.5
279.03000	8.4
279.06116	0.5
280.03745	0.5
288.04330	1.0
289.05032	1.3
291.03165	0.4
291.06528	1.0
292.03815	0.5
293.04602	1.6
295.06235	1.3
297.09067	0.4
301.05042	1.7
305.04587	1.7
307.06180	0.9
308.03537	0.6
309.03958	0.5
311.07019	1.3
316.03781	1.4
317.04550	1.7
319.02682	0.8
319.06158	2.8
321.03986	4.8
323.07147	0.8
324.08038	0.4
325.08664	0.7
333.04080	1.7
335.07065	0.9
338.05847	0.7
339.05420	2.2
343.02423	0.8
344.03308	6.6
345.04053	8.8
346.04742	0.7
351.06531	0.9
352.06924	0.7
353.08038	1.5
355.06049	0.9
363.06226	0.8
364.07486	0.6
366.05148	0.7
367.06146	1.9
371.01978	1.3
376.02264	7.4
379.06088	0.9
380.07114	1.0
381.07761	2.6
382.04822	0.8
383.05484	2.9
383.09525	0.4
384.06454	0.6
389.02954	0.7
391.06140	0.8
393.07996	1.0
395.05679	2.9
397.07205	1.1
399.08801	0.8
407.05658	0.5
408.06744	0.8
409.07202	2.7
411.04593	2.9
412.05841	2.7
413.06674	1.8
419.05563	1.0
423.05096	0.6
425.06754	2.4
427.08331	2.1
428.34619	0.4
429.09952	3.0
435.05084	1.7
437.06644	5.3
439.04550	17.6
440.05286	1.7
453.06241	5.6
455.07758	12.4
463.04724	2.4
465.06189	0.9
473.08856	6.8
481.05682	100.0
482.05997	2.4
483.07178	0.8
499.06790	24.4
519.09259	1.5
637.14594	0.5
653.13068	8.6
663.11414	4.1
679.10986	53.4
680.11572	1.4
681.11945	0.6
697.12012	3.2
699.14099	0.5
715.12921	0.6
861.16833	0.8
877.16687	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	1061.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
76.21852	0.7
77.77084	0.7
89.03963	0.9
108.02185	3.1
109.02965	42.9
110.03300	5.0
115.05551	1.0
121.02967	1.8
123.04559	5.7
124.04877	0.9
133.02959	9.0
134.03229	1.0
135.04552	10.4
137.02432	1.2
145.02980	2.3
147.04529	2.9
149.02458	4.5
157.02968	2.8
158.03712	0.9
159.04530	4.1
161.02467	28.8
162.02788	3.7
173.02449	3.1
174.03154	0.9
175.03998	0.9
177.01936	1.0
179.03571	6.6
180.03801	0.9
184.01700	1.1
185.02454	32.3
186.03093	8.8
187.03413	1.5
193.06598	3.2
194.07115	0.9
197.04544	5.4
197.06059	1.1
204.05701	1.8
205.06569	1.0
206.02161	0.8
209.06026	1.6
213.02095	1.3
219.04527	1.9
220.05334	2.3
221.06075	8.7
222.06485	1.6
223.03964	1.0
224.04790	1.9
225.05534	4.0
226.05899	0.7
231.04388	0.8
232.05289	1.1
233.05911	0.8
235.04057	1.0
236.04826	1.7
237.05582	4.0
239.07111	1.2
240.07407	0.8
247.04018	2.3
248.04832	5.4
249.05608	14.3
250.02780	1.1
250.05997	2.5
251.03560	7.2
251.06239	1.0
252.04335	4.5
253.04788	1.5
263.03400	0.8
264.04245	1.7
265.05127	8.3
266.05786	1.8
267.06573	5.7
268.06906	2.4
271.10944	0.8
275.03500	1.8
276.04309	3.2
277.05054	20.5
278.02661	1.0
278.05383	3.6
279.03052	21.5
279.05774	0.9
280.03607	9.4
281.04025	3.0
292.03683	1.4
293.04593	19.0
294.05060	2.8
295.06155	33.0
296.06421	10.7
297.06750	2.6
303.02942	3.6
304.03769	1.0
319.02405	1.3
321.04065	100.0
322.04477	9.3
323.04605	2.4
339.05118	72.2
340.05466	35.9
340.09644	1.5
341.06143	14.9
359.07788	10.9
360.08224	2.5
361.08258	0.9
471.07495	4.5
493.10934	1.4
501.08688	1.2
502.08551	0.9
503.09607	1.5
519.09381	54.9
520.09589	2.7
521.10999	2.7
522.11523	1.5
549.10126	1.1
550.10846	1.6
552.94324	0.8
563.75000	0.8
632.04376	0.8
681.12793	1.4
700.14056	1.9
701.14923	5.3
831.15588	0.9
837.20752	1.2
863.18390	11.6
881.18481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
74.74372	0.4
107.04980	0.7
108.02187	1.6
109.02962	29.6
110.42690	0.5
113.03971	0.5
113.38811	0.5
115.05641	0.7
121.02982	0.8
123.04549	1.5
133.02980	2.0
134.03728	1.1
135.04527	9.0
137.02431	1.1
145.02946	1.4
147.04568	1.8
149.02434	1.7
157.02972	1.8
159.04530	3.6
160.01607	0.7
161.02455	7.3
173.02460	2.6
174.03207	0.9
175.04085	1.4
179.03502	2.9
185.02443	27.6
185.20134	0.5
186.03249	4.8
187.04161	0.6
193.06577	1.9
197.04591	2.4
204.05878	0.7
205.06610	0.7
207.04440	0.8
209.06111	1.5
211.07582	0.5
213.05563	0.5
220.05315	1.3
221.06099	4.3
223.03970	1.5
224.04816	0.9
225.05608	2.2
232.05405	0.6
235.04077	0.6
236.04829	1.2
237.05605	1.9
239.07195	1.2
247.04031	2.0
248.04778	3.1
249.05556	10.5
250.02721	0.8
251.03542	6.4
252.04274	2.4
260.04630	0.6
263.03372	0.8
264.04236	1.2
265.05066	8.6
266.05844	1.6
267.06659	4.5
275.03696	1.6
276.04300	2.1
277.05093	12.9
278.05692	0.7
279.03006	24.9
280.03787	6.0
292.03717	1.5
293.04596	15.8
294.04877	0.8
295.06143	28.0
303.03064	3.2
304.03629	0.5
320.02841	0.6
321.04056	100.0
322.04486	1.7
339.05118	24.8
340.05380	0.9
341.06601	0.7
353.06693	2.5
427.07892	0.7
483.07233	1.7
493.11423	4.7
501.08347	1.3
519.09351	83.5
520.09564	1.8
537.10321	2.5
571.56097	0.5
647.55792	0.6
651.11243	1.0
665.12976	6.5
681.12238	2.0
683.14044	8.2
684.13269	0.6
701.14801	1.2
717.14795	1.5
837.20306	1.8
849.16260	0.6
863.18420	22.3
864.18951	0.6
876.31427	0.5
917.09924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
87.89130	0.9
93.03460	4.9
98.22611	2.6
108.02205	1.8
109.02961	32.2
110.03333	0.9
123.04520	2.0
126.52538	0.9
134.03725	1.1
135.04532	12.2
145.02994	1.2
147.04543	1.9
151.03967	1.0
157.02975	2.3
159.04527	3.4
161.02451	2.1
170.19937	0.8
173.02423	2.8
175.03909	1.6
179.03510	3.5
184.01781	1.1
185.02454	32.9
186.03224	7.6
193.06612	3.2
196.54906	0.8
197.04575	2.6
203.03439	0.9
209.06111	1.7
213.05589	0.8
220.05122	1.6
221.06067	4.1
222.06705	0.8
223.03984	1.4
225.05595	2.9
229.01303	1.4
232.05388	2.5
233.06088	2.5
237.05487	1.3
239.07228	1.5
247.04076	1.9
248.04733	1.6
249.05595	9.4
250.06192	1.5
251.03503	5.5
251.07230	2.1
252.04170	2.9
253.05096	1.4
260.04810	1.0
261.05676	1.6
265.05096	9.1
266.05688	1.6
267.06644	4.8
275.03384	1.5
276.04266	2.8
277.05078	16.9
278.02252	1.0
278.05759	1.6
279.03064	19.0
279.06503	3.5
280.03745	5.3
293.04572	13.6
294.05130	1.1
295.06128	23.7
296.06561	2.0
303.02896	2.7
305.04581	11.3
321.04062	99.0
322.04428	5.9
323.05664	5.1
339.05109	26.8
340.05368	2.1
493.11227	4.1
503.09863	23.3
519.09375	100.0
520.09528	3.8
521.10248	2.4
537.10254	3.6
716.13190	1.1
717.13647	2.3
863.19037	1.7
948.30975	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03484	0.3
83.01405	0.4
85.02981	0.4
89.03994	0.2
97.02969	0.4
99.00886	0.2
101.02454	2.2
105.03468	0.7
109.02962	1.1
113.02465	0.8
115.01916	0.2
122.03752	0.3
123.04539	3.9
125.02464	0.7
131.03593	0.2
132.02200	2.4
133.02971	34.5
135.04549	0.4
143.03546	0.8
149.02509	0.4
150.03241	1.3
151.04027	4.6
155.03557	0.9
159.04518	0.8
161.02460	100.0
162.02797	0.6
163.04041	0.1
177.01817	0.2
203.05646	2.5
226.89348	0.2
269.08231	2.0
274.53922	0.2
290.86697	0.2
313.07208	34.1
314.07721	0.4
377.28561	0.9
379.30051	0.3
389.28235	0.3
391.29910	0.2
407.29715	1.8
409.30975	0.6
423.28967	0.4
433.31219	0.2
437.30588	1.5
446.03018	0.2
451.32245	1.2
453.30109	0.4
455.31766	1.0
465.30081	0.3
467.31708	3.6
469.33240	2.2
479.31653	0.3
495.31274	1.7
497.32428	0.4
503.33835	75.5
504.34137	1.4
507.30792	0.2
517.35248	1.2
545.34888	29.7
546.35205	0.5
575.35876	2.1
580.47479	0.2
587.35791	0.6
605.36768	0.9
647.37885	2.2
707.40204	0.5
1055.82007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.507
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00876	0.8
76.10838	0.3
89.02460	0.4
95.05123	0.3
101.02425	0.7
106.81747	0.3
108.02180	0.4
109.02924	0.5
121.03004	1.3
122.03753	2.2
123.04537	2.0
127.16013	0.3
133.02029	0.4
133.02968	4.0
134.03752	4.5
135.04550	3.8
137.02492	2.6
139.04024	0.7
146.03754	0.9
147.04529	1.2
149.02444	0.5
150.03308	0.6
151.04015	3.0
158.03735	0.4
159.04541	1.5
160.05309	2.0
161.02455	2.1
161.06058	0.5
162.03278	0.4
162.06863	0.4
172.05289	3.5
173.06102	2.6
174.03206	1.4
174.06850	0.7
174.26953	0.3
175.04008	1.4
175.07722	0.5
176.04799	0.6
178.02734	4.5
179.03519	1.1
183.00360	0.3
183.04440	0.4
184.05353	0.3
185.06058	0.4
186.06834	0.6
187.04015	2.0
187.07721	0.4
188.04807	0.6
189.05539	0.5
190.06367	2.8
197.04491	0.4
197.06133	0.4
198.06836	0.5
199.04034	1.2
200.04800	1.2
201.05576	1.7
202.06361	2.4
211.13396	2.5
227.03598	2.4
227.14502	0.3
228.04327	0.8
228.79660	0.3
241.12346	0.5
253.15747	0.3
255.13943	0.5
257.15576	0.3
259.13510	0.4
261.14896	0.4
267.13821	0.4
271.13452	1.7
273.14911	0.3
277.21716	3.2
281.15332	0.4
283.13446	14.4
285.14984	0.7
287.16675	0.9
289.14407	0.8
297.15021	1.6
299.13095	0.6
299.16498	1.3
301.14450	6.5
305.17496	0.4
309.14987	3.1
311.12817	1.8
313.14511	0.3
315.16022	7.9
317.17606	0.4
325.14407	1.1
327.12463	0.6
327.16013	6.9
329.13943	0.5
333.17163	2.6
335.18481	0.3
343.15518	1.1
345.16943	2.0
353.13885	2.2
371.14890	1.2
389.15976	0.5
407.16840	0.4
471.34943	0.4
514.69379	0.3
607.23920	0.3
625.25336	0.6
643.26202	0.9
666.90710	0.3
692.51007	0.4
720.09039	0.3
823.43494	1.1
841.47595	2.1
867.45520	8.4
885.46588	4.1
903.47577	100.0
904.47656	2.9
1065.50391	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	1065.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00874	0.4
87.00885	0.2
93.03477	0.2
101.02460	0.4
109.02975	0.6
116.40714	0.2
121.02972	0.7
122.03763	1.0
123.04545	1.3
126.55346	0.2
127.25934	0.2
130.04245	0.2
133.02972	2.3
134.03764	4.0
135.04573	1.8
137.02455	1.5
139.04036	0.7
146.03751	1.0
147.04543	0.7
148.05338	0.2
149.02486	0.3
150.03261	0.7
151.04028	2.2
158.03729	0.2
159.04578	1.3
160.05315	1.4
161.02460	1.3
161.06097	0.4
162.03142	0.2
162.06847	0.2
172.05354	2.1
173.06117	1.6
174.03253	1.1
174.06851	0.5
175.04016	1.6
175.07607	0.3
176.04765	0.5
177.01909	0.3
178.02740	3.7
179.03581	0.4
184.05264	0.3
185.06136	0.4
186.06856	0.9
187.04036	1.6
187.07587	0.5
188.04814	0.2
189.05522	0.3
190.06371	2.2
197.04495	0.3
197.06105	0.3
198.06859	0.3
199.07750	0.3
200.04826	0.8
201.05574	1.3
202.06380	2.6
211.13417	1.4
217.12457	0.3
227.03603	0.4
241.12468	0.2
243.13782	0.2
245.11850	0.2
246.05330	0.2
253.09534	0.2
255.13979	0.4
257.15585	0.3
259.13434	0.2
261.14908	0.3
271.13431	1.5
273.14929	0.4
273.35828	0.2
277.21780	4.1
283.13443	9.9
283.16501	0.3
285.14929	0.6
287.16519	0.6
289.14429	0.5
297.14969	1.1
299.12936	0.7
299.16522	0.9
301.14505	4.0
309.15024	2.4
311.13113	0.9
313.14429	0.3
315.16052	6.5
315.19800	0.3
317.14151	0.2
317.17560	0.5
325.14465	1.1
327.12372	0.3
327.16064	4.9
329.14020	0.2
333.17264	1.1
343.15436	0.7
345.17188	1.1
353.14026	0.9
361.16861	0.2
371.15070	0.3
389.15927	0.3
537.22998	0.2
581.25800	0.2
625.25269	0.6
643.26117	0.6
797.45154	0.2
841.47174	1.2
867.45557	1.7
885.46759	2.3
903.47614	100.0
904.47839	3.8
1065.50476	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
78.97158	0.2
79.13955	0.2
89.03972	0.4
102.52870	0.2
103.87113	0.2
105.03465	0.8
107.05027	0.6
108.02161	0.3
109.02969	0.9
113.02507	0.2
117.03492	1.5
121.02989	0.3
123.04538	4.0
132.02159	3.3
133.02972	25.7
134.03764	6.0
135.04541	32.4
136.04861	0.5
137.02373	0.3
145.02991	0.4
147.04492	0.3
149.06131	1.1
151.04022	0.5
153.05576	0.2
160.01671	6.0
161.02458	100.0
162.02811	1.4
163.04047	0.6
171.92035	0.2
175.04024	8.3
177.01970	0.4
178.02803	1.0
179.03516	16.6
180.03899	0.2
193.05057	4.9
197.04567	9.2
198.04942	0.2
211.06036	0.2
221.04529	0.3
223.02570	0.5
265.04794	0.3
267.06723	0.4
293.04456	0.2
295.05917	0.4
296.06940	0.3
299.71466	0.2
305.06696	0.5
311.09341	0.4
321.04150	0.4
323.07755	4.2
337.09317	5.1
339.05093	0.3
341.08832	0.4
359.07745	46.1
360.08069	0.9
473.14557	1.8
499.12527	27.5
500.12970	0.8
517.13611	3.8
521.12946	1.8
525.47754	0.2
534.13898	1.6
535.14679	1.9
697.17780	21.6
698.18268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05014	1.6
105.81394	0.6
106.06630	3.7
108.04468	1.0
122.06146	7.6
132.04494	1.0
134.06145	14.2
142.87762	0.6
146.06116	1.0
152.07085	1.7
158.69720	0.6
160.03995	0.8
160.06409	0.8
161.02371	0.9
173.71448	0.6
174.05580	1.7
180.06664	0.9
188.07114	2.6
194.08244	0.8
211.44286	0.7
213.10341	4.6
219.57747	0.6
223.08783	0.7
225.10298	1.5
227.11827	1.9
237.10175	1.2
238.07561	0.8
239.11966	5.4
241.13336	2.8
249.06825	0.6
249.10214	2.0
250.07361	2.1
251.08153	1.3
251.11925	1.5
252.08928	0.8
253.09691	1.3
263.08185	1.0
265.09671	2.5
266.10251	0.7
267.11328	2.2
277.09894	4.6
278.06888	3.4
278.10474	2.1
279.07672	2.8
279.11230	2.2
285.09387	0.9
285.12515	11.4
291.07715	1.1
291.11142	0.6
292.08545	1.2
293.09244	11.3
293.12881	3.6
294.10028	3.1
295.10934	6.3
305.09302	3.9
306.09998	2.4
307.10977	5.2
309.12494	1.3
321.12033	0.8
337.08310	8.2
337.11835	0.9
338.09143	1.5
338.13342	0.8
339.09875	1.1
340.14316	1.2
351.10022	0.8
355.12747	0.9
356.13730	0.8
357.14871	0.8
358.15628	3.6
365.11270	0.7
367.12482	0.8
368.13754	0.9
370.15720	1.2
382.15973	0.7
384.13232	1.5
398.14990	1.8
399.15900	1.7
400.16583	6.8
412.16537	2.1
413.17383	1.5
418.17203	0.9
424.16684	0.8
426.14587	2.1
441.16797	2.5
442.17755	5.5
444.15414	1.1
456.19586	3.0
458.17114	1.4
460.18573	1.6
468.15390	1.4
473.19901	0.7
474.20221	1.4
479.24512	1.1
485.15829	1.7
486.16708	3.8
490.20435	0.8
491.21353	0.8
500.18515	1.5
501.19086	2.6
502.19943	4.1
504.17551	0.9
505.22177	1.8
516.21320	2.0
518.19208	1.5
532.20801	0.8
545.18085	3.7
546.18939	9.1
547.23975	3.4
560.20502	7.3
565.24884	1.2
577.21100	0.9
578.21387	0.8
591.22003	1.5
592.23120	20.1
607.25439	5.0
623.25043	2.4
633.96179	0.7
639.28381	14.4
651.24438	7.6
673.28644	1.0
683.27313	100.0
684.27502	2.7
715.29974	82.2
716.29944	2.0
914.99438	0.7
1107.96838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
75.42907	0.5
84.37254	0.6
90.41413	0.6
99.54958	0.6
108.02188	1.7
109.02961	35.3
113.03955	0.7
121.02967	2.6
123.04546	2.0
133.02940	0.7
135.04539	9.7
137.02441	1.7
141.03384	0.7
145.02965	2.7
147.04529	5.5
149.02570	1.3
151.04019	0.7
157.02992	1.1
158.03728	1.0
159.04532	3.3
160.01607	0.7
161.02448	2.1
163.04030	2.3
173.02412	3.5
174.03244	0.7
175.04047	3.3
179.03529	2.0
185.02446	25.6
186.03247	6.6
190.02679	0.8
191.03500	3.0
193.06590	2.1
195.04469	0.8
197.04546	2.0
197.06210	0.8
203.03487	0.8
204.05849	0.7
207.04419	1.1
209.06116	1.9
211.04036	0.6
211.07472	0.7
213.05638	0.6
214.02888	0.7
219.04594	1.4
219.08359	0.6
220.05313	1.4
221.06065	5.2
223.03995	1.6
224.04807	0.7
225.05533	2.9
232.05371	1.3
235.04018	1.3
237.05539	2.6
239.07175	2.9
242.05748	1.4
247.04071	2.1
248.04733	3.8
249.05562	11.9
250.06276	1.0
251.03511	5.6
251.07111	0.7
252.04243	3.2
253.05017	1.5
254.05937	1.2
257.08224	1.9
263.03653	1.0
264.04239	1.9
265.05063	11.4
266.05829	2.2
267.06638	6.7
269.08130	4.1
275.03467	1.9
276.04355	2.2
277.05096	17.2
278.02417	1.3
278.05722	1.3
278.99918	1.2
279.03009	23.1
280.03821	5.5
283.06000	0.8
285.07477	0.7
292.03717	1.5
293.04602	16.5
294.05273	2.0
295.06137	33.6
296.06421	1.0
301.04846	0.8
303.03003	3.8
313.07202	21.8
316.64255	0.6
317.04520	0.7
319.02762	1.4
321.04053	100.0
322.04407	3.0
331.08121	2.8
339.05109	35.4
340.05472	1.4
344.03140	2.4
345.04044	2.1
357.06152	9.4
375.07242	1.1
376.02417	1.2
383.05606	0.8
385.38962	0.7
393.08224	5.4
395.05566	1.1
429.09494	0.7
432.18488	0.7
435.04929	0.7
437.06598	1.7
439.04694	4.7
453.06430	1.4
455.07761	2.8
473.08798	1.7
475.10263	0.7
481.05710	23.0
481.12543	1.4
493.11438	2.9
499.06989	5.9
517.07849	0.7
519.09369	86.3
520.09540	4.1
521.10156	1.8
537.10223	3.3
555.11469	11.3
556.12097	0.7
625.98517	0.6
635.12128	1.5
653.12775	2.1
679.11060	14.3
697.12653	1.4
715.13403	4.8
728.12488	0.9
877.16046	5.8
1038.47241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
77.28274	0.4
90.02503	0.4
98.30390	0.4
101.18083	0.4
105.77881	0.4
108.02185	1.0
109.02961	11.6
121.02980	1.8
123.04560	0.8
133.03004	1.3
134.03745	0.5
135.04539	3.3
151.04123	0.5
159.04541	0.7
160.01678	0.8
161.02475	2.5
179.03574	0.8
185.02483	1.2
197.04634	0.7
221.06215	0.7
233.05977	0.8
245.06108	1.6
248.04744	1.0
249.05595	1.4
251.03377	0.6
252.04482	0.4
260.04657	0.6
261.05600	0.6
263.07236	0.5
265.05054	0.8
272.04797	1.4
273.05630	1.2
275.03760	0.5
276.04233	0.6
277.05133	1.8
278.05847	0.6
279.03040	4.8
279.06268	0.8
280.03677	0.5
288.04340	1.2
289.05170	1.6
291.06720	0.8
292.03848	0.8
293.04675	2.1
295.05966	0.8
300.04327	0.9
301.05115	1.8
304.03833	0.6
305.04669	2.1
307.06198	0.9
311.07346	1.0
314.05637	0.5
316.03714	2.0
317.04517	1.8
319.02649	0.8
319.05853	2.3
320.03235	0.7
321.03976	4.2
323.07144	1.1
325.08624	0.9
333.04099	1.5
335.07104	0.8
337.08783	0.6
338.05829	0.7
339.06293	2.0
340.07425	0.6
343.02283	0.5
344.03259	10.1
345.04047	8.3
347.07141	0.6
351.06540	0.6
352.07574	1.0
353.08102	1.8
356.06793	0.6
363.06479	1.0
366.05225	1.4
367.06046	2.2
368.06631	0.4
369.07816	0.9
371.01968	0.9
371.09436	0.6
376.02286	5.4
379.06015	1.2
380.06808	0.9
381.07642	3.2
382.04630	0.8
382.08844	0.6
383.05341	3.3
384.06305	1.0
391.06281	0.9
393.08084	1.3
395.05685	3.9
396.06219	0.6
397.07071	1.5
398.07739	0.6
399.08548	1.0
407.05493	1.0
408.06479	0.7
409.07248	2.9
411.04709	3.0
412.05960	3.1
413.06680	2.0
419.05701	0.9
425.06870	2.5
427.08224	2.1
429.09848	3.1
435.05200	1.7
436.05936	0.5
437.06726	6.2
439.04617	18.7
440.05099	1.7
453.06152	6.4
455.07742	15.0
463.04642	2.6
473.08813	7.5
481.05692	100.0
482.05960	3.1
499.06741	26.6
500.06772	0.9
517.07684	0.7
519.09259	1.8
555.11200	1.2
653.12921	8.1
679.10974	56.6
680.11163	1.4
697.12201	3.3
833.17365	0.8
877.16351	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	1077.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03451	1.2
105.03489	1.0
108.02170	1.6
109.02966	17.6
110.03310	1.4
119.05037	2.2
121.02954	4.6
123.04550	6.6
132.02171	1.1
133.02957	6.8
134.03706	1.8
135.03622	1.7
135.04553	19.4
136.04845	1.8
137.02440	6.8
145.02985	4.0
146.03731	1.5
147.04536	17.4
149.02472	4.5
150.03224	2.4
151.04016	4.0
159.04539	3.3
160.01648	1.6
161.02477	20.2
162.03146	4.2
163.04045	10.2
165.05608	1.3
173.02475	1.4
174.03238	1.4
175.04013	8.4
179.03535	6.6
185.02470	3.4
185.06166	1.0
186.02945	1.6
190.02710	2.7
191.03503	15.9
196.05162	0.9
197.04588	3.7
203.03583	4.6
209.06215	1.4
211.07664	1.2
221.06042	2.6
223.07774	1.7
224.04688	2.0
225.05580	3.4
229.01660	1.3
237.05502	1.5
238.06349	1.6
239.07130	2.4
241.05035	1.1
242.05817	2.9
248.04817	2.2
249.05585	7.7
250.06117	1.7
251.07091	3.1
252.04327	2.0
252.07840	1.1
253.05023	1.6
254.05859	3.9
255.06723	1.2
257.08203	6.7
264.04166	1.5
265.05090	3.9
266.05740	3.9
267.06628	14.1
269.04922	1.5
269.08203	11.5
270.05325	1.4
276.04398	2.4
277.05084	18.6
278.05692	3.7
279.03000	3.1
280.03677	2.6
281.04071	1.2
283.06055	5.1
285.07657	1.5
287.09195	2.8
293.04590	6.4
294.05234	5.9
295.06146	48.6
296.06442	3.1
301.10815	0.9
311.05569	1.3
313.07211	100.0
314.07404	2.2
321.00607	1.1
321.04092	11.8
322.04404	5.0
323.04517	1.8
331.08124	7.1
339.05130	19.8
340.05396	2.6
357.06201	43.7
358.06473	2.1
359.07565	3.3
473.08701	1.6
474.09247	2.1
475.10159	9.2
492.92960	0.9
493.11450	1.7
519.09222	17.0
520.09674	3.3
521.09790	2.5
537.10187	5.7
555.11487	75.9
556.11737	3.0
563.21783	1.1
609.82050	0.9
681.11786	1.3
716.13831	1.1
717.14539	15.2
879.17511	1.2
915.18469	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	1077.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
85.43983	0.6
94.04845	0.5
98.21510	1.0
98.22946	0.6
108.02215	1.7
109.02959	27.2
114.87468	0.6
123.04528	1.8
134.03743	0.6
135.04529	5.8
145.03050	0.8
147.04578	1.3
149.02473	0.6
157.02962	1.3
159.04504	3.3
173.02484	2.1
174.03178	0.5
175.04015	1.4
179.03526	2.2
185.02444	23.4
186.03261	5.1
186.58145	0.5
187.03824	0.7
193.06610	1.6
197.04510	1.4
197.06105	0.8
203.03464	0.9
209.06073	1.3
211.07620	0.7
219.04698	1.3
220.05252	1.1
221.06081	4.8
223.04018	1.2
224.04843	0.7
225.05597	2.3
232.05408	1.0
236.04808	1.4
237.05621	1.6
239.07108	1.9
247.03992	2.5
248.04874	3.2
249.05573	8.7
250.06081	0.6
251.03513	5.3
251.07048	0.8
252.04233	2.9
253.05002	0.8
263.03427	0.6
264.04199	1.2
265.05057	8.6
266.05765	1.1
267.06647	4.0
275.03513	1.4
276.04254	1.8
277.05063	12.7
278.02112	0.6
279.03012	17.2
280.03687	5.0
292.03867	1.2
293.04608	12.8
294.05179	0.8
295.06137	20.3
296.06610	0.6
303.03030	2.8
313.07303	1.2
314.07715	0.7
321.04044	92.7
322.04422	3.4
339.05084	21.5
340.05307	0.8
475.10385	0.8
493.11603	1.7
519.09357	100.0
520.09784	5.4
521.09802	1.5
537.10455	2.7
673.16156	0.7
717.14600	0.9
1050.01563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
78.52787	0.6
98.22658	1.1
109.02957	5.5
121.02955	0.8
123.04546	5.1
132.02205	1.0
133.02972	23.1
134.03700	1.6
135.03502	1.1
135.04536	23.1
136.04814	0.7
149.05994	0.6
151.03940	0.6
161.02461	100.0
162.02798	1.8
179.03514	14.5
185.02531	1.0
186.03087	1.1
187.04018	2.1
197.04567	18.8
214.10963	0.6
243.06664	4.1
249.05482	0.7
251.04050	0.7
255.06624	1.3
265.05103	1.1
271.09628	0.9
277.05176	1.2
278.05554	1.1
279.03040	1.4
280.03308	0.6
281.04745	1.0
282.04834	0.7
293.04614	1.5
295.06158	2.7
296.06357	1.0
297.07819	2.7
313.07138	1.2
321.03976	5.4
322.04480	4.4
323.05075	1.7
339.05008	1.7
340.05273	1.1
341.06705	4.4
359.07764	53.8
360.07999	1.8
475.10181	0.7
475.17139	0.6
495.12628	1.2
519.02087	0.7
519.09235	4.1
520.09857	6.6
521.10284	5.8
539.12085	6.2
719.16223	32.7
720.16058	1.3
721.18005	0.7
864.35822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
90.35942	0.5
101.08981	0.6
102.09876	0.5
103.46655	0.5
109.02981	4.2
110.03321	0.6
123.04542	7.4
132.02211	1.7
133.02969	27.2
134.03728	1.0
135.04539	23.1
137.02467	0.6
147.04475	0.9
149.70473	0.5
151.03952	0.7
161.02458	100.0
162.02881	0.8
174.03229	0.6
179.03513	15.9
185.02466	1.9
186.02905	1.5
191.03568	0.8
197.04570	21.4
249.05621	1.2
265.05188	0.6
277.05069	2.0
278.05560	1.5
279.03036	1.5
280.03415	1.6
292.67291	0.5
293.04614	1.4
295.06064	3.1
296.06552	2.1
297.07535	0.5
308.64249	0.7
313.07156	3.5
314.07523	1.5
321.04050	7.7
322.04446	6.1
323.04697	1.7
339.05185	1.6
340.05453	1.5
357.06070	1.5
358.06522	1.0
359.07745	79.2
360.08521	0.7
519.09454	7.0
520.09656	7.3
521.09930	4.5
539.11768	1.6
555.11255	0.9
556.11768	1.9
557.12476	0.8
719.16260	4.4
904.08728	0.6
940.00189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
84.53371	0.4
89.73412	0.4
109.02967	2.1
123.04537	7.1
132.02197	1.2
133.02971	24.2
134.03748	1.1
135.03510	1.0
135.04535	19.0
161.02458	100.0
162.02823	0.7
179.03516	14.3
185.02449	1.2
186.02946	0.5
186.54233	0.5
189.92531	0.5
196.28236	0.5
197.04561	22.3
249.05396	0.6
267.52454	0.6
279.02829	0.8
309.55569	0.5
321.04172	2.8
322.04343	1.7
359.07751	83.3
360.07944	0.9
519.09454	2.0
520.09485	3.3
521.09833	1.7
599.27460	0.6
688.85864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
108.02211	2.3
109.02961	28.7
113.04031	1.0
117.03510	0.7
121.02981	0.9
123.04556	1.7
132.02188	0.9
133.02054	0.4
133.02968	12.5
134.03757	1.8
135.04536	30.6
145.02969	0.8
147.04559	1.5
149.02464	0.8
157.03001	2.3
158.03693	0.6
159.04514	2.7
161.02454	23.4
163.04056	0.6
173.02458	2.1
175.04048	1.2
179.03510	26.7
185.02446	24.0
186.03241	5.2
193.06595	1.8
197.04564	1.7
197.06140	0.9
201.01900	0.6
203.03493	0.7
204.05847	1.0
205.06635	0.9
208.05351	0.8
208.07724	0.8
209.06081	1.6
211.07671	0.8
213.05446	0.7
218.04271	0.5
219.04628	1.3
220.05356	1.0
221.06117	4.3
223.04086	1.7
224.05034	0.8
224.07144	1.0
225.05611	2.7
226.05144	0.6
232.05283	1.2
233.05989	0.9
234.05557	0.7
235.04051	0.9
235.06393	1.4
236.05054	0.7
236.07091	2.8
237.05626	2.8
238.05130	0.8
239.07245	1.3
240.06728	0.7
247.03934	2.6
248.04718	2.6
249.05595	9.4
250.02771	0.8
250.05188	1.1
251.03526	6.2
251.06012	1.5
252.04221	2.9
252.06699	2.7
253.01561	0.7
253.05040	0.8
254.08318	1.7
260.04825	0.8
262.05023	0.6
263.03415	0.8
263.05872	4.7
264.04175	1.2
264.06656	1.9
265.05087	8.1
266.05792	1.6
267.06674	3.9
275.03564	1.7
276.04312	2.2
277.05054	13.3
278.02081	0.7
279.02972	18.2
279.05869	1.0
280.03760	5.8
280.06400	0.7
282.07730	1.4
292.03802	0.6
293.04581	14.4
294.05185	0.7
295.06137	22.3
296.05936	1.9
298.07251	5.6
303.03015	3.0
306.36206	0.6
307.04874	8.4
313.06027	1.4
314.06738	0.6
316.08160	3.0
321.04056	100.0
322.04376	1.5
323.04578	1.1
324.05029	0.8
325.05957	3.1
326.06836	1.7
328.08224	1.3
339.05096	24.2
340.05078	0.7
340.08789	0.8
342.06186	1.3
343.06775	0.8
352.04706	1.9
358.09476	1.6
370.05792	0.9
384.07242	0.5
475.10150	0.7
493.11584	2.1
519.09338	69.2
520.09930	1.0
532.08807	6.7
533.08447	0.6
537.10303	1.1
564.11511	75.9
565.11615	0.7
576.27039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03493	1.1
98.21971	1.5
100.56933	0.8
108.02175	2.8
109.02963	54.6
113.03957	0.8
121.02938	1.6
123.04503	1.7
129.03444	0.8
132.02182	1.1
133.02972	16.4
134.03810	1.4
135.04541	25.0
137.02446	0.9
145.02946	3.2
147.04526	2.7
147.37396	0.9
149.02434	2.1
157.02960	2.6
158.03712	1.1
159.04562	5.2
161.02455	52.0
173.02414	4.0
174.03159	0.8
175.04012	1.8
179.02043	1.5
179.03523	22.8
179.05096	1.2
184.01663	0.8
185.02457	43.2
186.03235	9.9
190.51608	0.8
193.06670	4.6
195.04527	1.5
197.04543	0.9
197.06129	1.0
199.02596	0.8
201.01889	0.9
204.05826	1.6
208.07562	1.0
209.06110	2.6
211.04031	1.1
213.02010	1.0
219.04517	2.0
220.05280	2.6
221.06036	8.9
223.04051	1.0
224.04842	2.1
224.07094	1.5
225.05663	4.5
226.05272	1.1
232.05164	1.5
232.69507	0.8
233.06149	0.9
235.04089	1.1
235.06375	2.5
236.04823	1.8
236.07150	3.7
237.05649	4.1
239.07091	3.0
240.06694	1.3
247.04054	3.7
248.04880	4.2
249.05580	16.0
249.50702	0.9
250.02689	0.9
250.05063	1.1
250.06323	0.8
251.03467	8.2
251.05992	3.2
252.04514	4.6
252.06328	4.2
253.04967	1.7
253.07373	1.1
254.08237	1.4
262.05145	1.0
263.03506	1.5
263.05957	6.8
264.04266	2.5
265.05063	11.3
266.05695	2.5
267.06757	6.4
268.06119	2.1
269.08319	0.8
275.03497	1.9
276.04236	3.3
277.05057	19.4
279.03000	20.3
279.05893	1.4
280.03705	8.6
280.06284	1.7
282.07773	1.8
291.03030	1.1
292.03839	1.5
293.04602	21.4
294.05167	1.9
295.06152	47.3
296.05695	3.8
298.07233	8.4
303.03015	3.2
307.04889	13.3
308.05859	1.2
313.05969	2.6
314.06812	1.4
316.08206	4.8
319.02283	1.3
321.04065	96.6
322.04376	1.6
325.05862	4.4
326.06711	2.4
328.08197	1.7
339.05112	100.0
340.08209	2.4
341.05011	1.2
342.06116	1.2
343.07089	1.8
352.04654	2.4
358.09375	6.1
384.07227	1.6
483.07169	1.2
490.11398	2.0
519.09393	11.1
520.12683	10.6
532.08820	3.2
546.10461	7.1
564.11530	67.3
565.11987	1.9
602.78680	0.9
662.13208	1.7
680.13989	11.8
698.15149	2.7
706.12030	2.7
724.13190	32.1
725.11926	0.9
842.17242	6.0
886.16364	22.0
887.16376	1.2
904.17737	1.5
922.17957	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	1085.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	0.2
91.06316	0.2
107.01408	1.4
108.02187	0.6
109.02985	0.6
121.02950	1.0
135.00908	0.4
135.04530	0.3
148.01717	0.7
148.23195	0.2
149.02489	0.3
150.99173	0.4
151.00394	7.2
161.02457	0.4
163.00389	1.6
163.04100	0.2
164.01221	0.4
169.01401	0.3
175.04013	0.3
178.99887	3.5
192.00670	0.3
199.04118	0.5
211.04021	0.7
215.03517	0.3
216.04210	0.3
226.02731	0.8
227.03529	1.5
229.05032	0.4
243.02968	4.9
245.04591	0.6
254.02246	1.1
255.03009	15.4
271.02509	32.2
272.03165	1.4
273.03970	0.5
283.02481	0.6
299.01923	0.6
300.02777	61.4
301.03543	23.1
301.07150	0.5
302.03708	0.4
313.03577	0.2
343.04639	0.6
359.98572	0.2
363.89734	0.2
385.44943	0.2
517.19745	0.3
609.14648	100.0
610.14819	2.5
611.15186	0.6
653.01093	0.2
765.07892	0.3
780.57770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
88.23929	0.3
93.03474	0.4
106.63751	0.3
108.02196	2.1
109.02969	2.7
121.02971	0.9
122.03745	0.3
123.04553	2.4
133.03043	0.3
134.03773	0.7
135.04543	5.6
140.01634	0.3
145.02957	0.4
145.13705	0.4
147.04430	0.3
148.01567	0.3
151.04004	1.4
152.08833	0.3
153.18587	0.3
161.02475	1.7
179.03548	1.2
185.02432	1.2
186.03229	0.4
197.04594	0.6
219.19177	0.3
220.05412	0.4
221.06090	0.5
222.06874	0.3
225.01973	0.6
232.05331	0.4
233.06116	0.6
237.05646	0.4
245.06071	0.8
247.07681	0.5
248.04733	0.4
249.05594	0.8
251.03566	0.4
252.04340	0.4
259.03821	0.4
260.86359	0.3
261.05557	1.2
262.06277	0.3
263.07230	0.5
265.05145	0.6
267.06622	0.3
273.05569	0.7
274.06320	0.5
275.03577	0.4
275.07144	0.6
276.04391	0.7
277.05133	2.0
278.05820	1.3
279.02982	0.9
279.06216	0.4
280.03772	0.5
289.04974	1.2
290.05695	0.4
291.06671	2.1
292.03851	0.5
293.04572	0.7
295.06195	1.2
301.05249	2.4
303.03143	0.4
304.03711	0.7
305.04507	1.5
306.05258	2.2
307.06024	0.8
315.03146	0.4
317.04660	2.6
318.05237	0.7
319.02484	0.4
319.06122	4.9
321.04166	1.8
322.04422	0.3
323.07138	0.4
324.07898	0.6
327.06650	0.4
328.03970	0.3
331.02341	0.3
332.03140	0.5
333.03973	0.9
335.05780	0.5
339.05084	1.7
341.08118	0.7
342.01733	0.7
343.02493	0.5
344.03275	0.8
345.04077	17.0
346.04868	2.5
347.05624	0.6
351.06503	0.8
352.07275	0.5
353.08011	1.3
354.09073	0.5
355.06079	0.4
360.02740	0.4
363.06247	0.4
367.06046	1.0
368.06870	0.7
369.08002	1.5
370.08347	0.7
379.05991	0.9
380.07080	0.7
381.07697	1.3
382.08401	0.9
383.05151	0.4
383.09451	0.6
389.03802	0.4
391.04953	0.6
393.08240	1.4
395.05652	2.0
396.06470	1.0
397.07224	2.7
398.07956	2.2
399.08728	1.0
407.05621	0.9
408.06427	1.6
409.07407	1.7
410.08087	0.6
411.05191	0.8
423.04855	1.7
424.05890	1.7
425.06531	2.6
426.07501	4.6
427.08371	3.6
428.09030	2.0
435.05051	0.8
436.05923	1.4
437.06555	0.7
439.04346	0.7
441.09891	2.8
443.11362	3.5
451.04285	2.0
452.05435	7.8
453.06226	8.5
454.06964	9.2
455.07526	0.5
462.03680	1.0
463.04858	1.5
467.07687	4.2
468.08673	0.6
469.09335	32.3
470.09494	0.7
479.04181	8.9
480.04926	2.9
481.05795	0.9
487.10434	16.6
495.07306	15.1
495.13370	0.3
499.06604	0.4
513.08344	22.8
514.08911	0.5
519.09259	1.2
533.11078	1.1
555.11469	1.4
605.14569	0.4
649.13214	0.8
667.14575	12.8
693.12549	100.0
694.12488	1.7
711.13715	6.0
729.14581	0.7
847.19324	1.6
891.17871	8.4
1098.47363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
77.41303	0.9
78.40427	0.8
96.96024	1.0
97.35613	1.0
97.66456	1.0
106.55707	1.0
108.02210	1.8
108.52818	1.0
109.02963	26.4
116.91205	1.1
121.02918	1.2
123.00912	1.1
123.04549	2.7
132.02141	2.1
133.02969	19.2
133.03912	1.9
135.04544	14.7
145.02975	1.1
147.04568	2.2
151.00336	1.0
152.01195	1.3
152.98433	1.0
157.02980	1.9
159.04550	3.1
160.01570	1.2
161.02463	63.0
173.02466	2.6
179.03532	10.2
185.02466	24.4
186.03229	4.3
193.06627	3.7
194.02264	1.0
197.04547	8.8
197.06007	1.1
200.01166	1.2
201.02087	1.0
209.06151	1.6
213.02025	3.4
216.78612	1.0
219.04544	1.9
220.05370	2.3
221.06053	7.3
223.04131	1.2
224.04819	1.6
225.05568	3.3
225.43370	1.1
232.05255	2.8
233.05846	1.2
235.04025	1.3
237.05592	4.1
239.07103	1.1
247.03999	3.0
248.04861	6.4
249.05595	16.4
251.03571	6.5
252.04251	1.8
263.03476	1.5
264.04282	2.0
265.05051	10.2
266.05829	1.5
267.06616	4.0
275.03522	2.7
276.04214	4.0
277.05066	17.8
279.03046	20.7
280.03766	4.3
292.03619	1.9
293.01535	2.0
293.04602	22.8
294.05460	1.6
295.06125	21.7
303.03027	3.1
304.03571	1.4
320.03293	1.8
321.04056	88.4
322.04495	4.3
323.04974	1.2
339.05142	25.9
340.05499	1.6
359.07751	21.6
499.06998	2.4
519.09650	1.3
521.09784	1.2
531.09436	2.6
533.10907	3.3
681.12512	1.6
711.13696	12.7
850.21259	1.4
865.20520	8.8
865.35870	1.4
891.17847	100.0
892.17865	2.2
909.18378	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	109.0297
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.28774	0.7
57.38942	0.7
64.00668	2.7
65.03970	23.9
66.03489	8.7
66.04286	0.9
67.01896	3.8
67.03030	1.0
69.03460	1.5
80.02682	2.2
81.03465	62.0
82.03791	2.3
82.38779	0.8
91.01888	0.8
95.01411	1.0
99.04514	1.0
108.02197	9.8
109.02969	100.0
109.04152	3.2
109.99939	1.0
110.02496	3.6
110.03316	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	109.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48496	0.8
56.76147	0.9
61.84616	1.0
64.00655	2.2
65.03968	26.5
66.03491	13.0
66.04283	1.1
67.01875	2.8
67.03025	1.2
68.99812	0.9
69.03441	1.1
69.68212	1.4
69.68578	2.9
72.33391	0.9
80.02664	2.4
81.03463	79.2
82.03008	1.4
82.03790	2.1
99.04533	1.7
108.02173	10.0
109.02967	100.0
109.04020	4.3
109.99974	2.4
110.02493	4.7
110.03328	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	109.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00672	3.2
65.03972	27.1
66.03495	12.1
66.04291	0.9
67.01899	2.2
67.03017	1.6
69.03458	1.3
69.41891	3.6
73.95144	0.7
80.02674	2.3
81.03466	72.4
82.02985	1.7
82.03811	1.8
91.01910	1.2
99.04533	1.9
108.02177	8.3
109.02973	100.0
109.04025	4.9
109.99928	1.9
110.02511	3.7
110.03319	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	109.0409
Annotation	Imidazole-4-acetaldehyde
Peak:m/z	Relative Intensity
63.20678	2.0
64.00659	3.9
66.03494	10.4
67.03003	7.5
68.01419	14.8
69.27693	12.0
79.03013	4.1
80.03812	29.1
81.03502	2.9
81.04591	70.5
82.02990	2.8
82.04960	3.0
95.02531	11.8
97.04089	20.5
103.92107	1.9
107.02530	22.3
108.02186	8.6
109.02972	34.2
109.04086	100.0
110.02489	9.9
110.04407	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	1091.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
84.83516	0.4
91.01916	0.6
108.02184	1.8
109.02967	16.4
110.03336	0.5
117.03561	0.4
119.01373	0.4
121.02951	0.5
123.04530	1.9
132.02179	0.9
133.02972	8.3
135.04532	6.3
136.01668	1.9
137.02382	0.6
137.47023	0.4
141.03525	0.5
145.03006	1.1
147.00847	1.2
147.04509	1.9
149.02434	0.9
151.04050	0.4
157.02953	1.9
159.04517	1.3
160.01654	0.9
161.02457	23.7
163.04106	0.5
164.01195	0.6
165.07147	0.8
173.02466	1.5
175.04039	0.8
179.03497	7.8
184.01675	0.8
185.02455	18.9
186.03204	3.9
191.05006	0.5
193.06602	1.7
195.04454	0.7
197.04538	4.2
197.06113	0.6
198.03119	0.4
201.02013	0.5
203.05153	0.7
204.05859	0.8
205.06627	0.5
206.02092	0.7
207.00020	0.4
209.06076	1.7
211.07697	0.6
213.01932	0.7
219.02806	0.5
219.04619	1.0
220.05157	2.3
221.06099	5.4
223.04065	1.1
224.04709	0.6
225.05595	1.3
231.04520	0.5
232.05305	1.6
233.06064	0.6
235.04062	1.2
236.04811	0.5
237.05563	3.2
238.06367	0.4
239.07010	1.0
240.18156	0.4
247.04053	2.5
248.04803	3.8
249.03018	0.6
249.05571	10.6
250.02809	0.5
250.05905	0.6
251.03477	5.4
252.04283	1.2
253.04872	0.5
259.04092	0.6
260.04623	0.4
263.03500	0.9
264.04208	1.1
265.05084	8.8
267.06638	2.9
274.82016	0.5
275.03568	2.0
276.04388	2.4
277.05081	13.3
278.02362	0.8
278.05493	1.0
279.03012	18.9
280.03775	4.1
281.04211	0.5
291.02908	0.9
292.03787	1.1
293.04593	16.4
294.05069	0.8
295.06125	16.6
296.06177	0.5
303.03107	2.3
304.03632	0.9
317.04541	0.8
319.02594	0.7
321.04053	100.0
322.04404	3.9
339.05118	35.8
340.05139	1.9
341.06653	8.6
359.07724	8.1
361.03418	0.6
379.04617	1.6
432.56995	0.4
442.06952	0.5
457.09332	3.8
483.07578	0.5
496.33047	0.4
501.08331	26.8
502.08197	0.6
519.09375	10.3
681.12390	1.6
699.13904	1.0
730.15686	1.1
731.15509	2.3
855.77124	0.4
861.16693	3.5
867.21631	1.4
893.19336	5.7
911.20313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03503	0.6
89.07597	0.6
96.96029	1.9
108.02174	2.4
109.02966	33.7
116.30802	0.6
121.02996	1.0
123.04541	1.8
132.02223	0.7
133.02974	9.9
135.04547	17.1
137.02481	0.9
145.02950	1.3
147.04538	2.0
149.02486	2.2
157.02954	2.1
158.03734	0.9
159.04518	3.5
161.01094	1.3
161.02464	27.8
163.03976	0.6
173.02467	1.7
175.04001	1.1
177.02034	0.7
179.03535	6.4
185.02455	24.2
186.03244	6.6
193.06601	1.8
197.04572	2.7
197.06152	0.6
197.48500	0.6
209.06096	1.8
213.05542	0.6
220.05391	0.7
221.06096	3.6
223.03963	1.0
224.04855	1.4
225.05589	4.2
228.94189	0.7
232.05191	1.0
235.03923	0.9
236.04683	0.6
237.05565	2.1
239.07172	2.3
243.24249	0.6
247.03911	0.9
248.04840	2.9
249.05606	8.0
251.03503	3.7
252.04236	3.9
253.05051	1.2
264.04337	0.8
265.05096	4.0
266.05801	1.8
267.06631	5.1
274.59235	0.6
275.03595	1.1
276.04294	2.4
277.05112	14.5
278.02383	0.7
278.05658	1.2
279.03027	17.6
280.03781	7.3
281.04770	1.1
290.05798	0.8
291.03012	1.2
293.04599	11.8
294.05353	1.4
295.06140	30.0
296.06558	1.4
303.03052	2.0
307.06055	0.7
313.07315	1.0
319.02588	1.1
321.04074	46.7
322.04291	1.7
335.05783	0.8
336.06430	1.2
339.05124	100.0
340.05417	1.9
341.06677	3.8
359.07745	5.5
457.09268	0.7
475.10458	1.7
483.07489	1.8
501.08301	11.3
503.10031	3.0
519.09229	6.9
521.10895	3.9
533.10718	1.0
549.10620	1.6
646.29486	0.6
663.11218	1.5
665.12628	0.8
681.12299	1.7
695.14490	0.7
731.15637	1.1
861.17004	2.7
867.21002	0.9
893.19659	5.4
1103.19226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
75.59483	0.4
85.98638	0.3
89.03972	0.4
106.08724	0.4
107.05077	0.6
108.02181	10.0
109.02946	1.4
114.26315	0.4
115.05531	0.5
117.03450	0.5
123.04536	10.6
132.02234	0.8
133.02971	5.9
134.03777	2.7
135.04541	28.4
136.04858	0.5
141.03502	0.4
144.02151	0.3
145.02966	3.4
146.03770	0.7
147.04517	1.6
149.30727	0.3
151.04021	1.0
157.02945	0.9
158.03761	0.8
159.04538	3.3
160.01666	0.6
161.02460	21.8
162.02777	1.1
173.02478	0.4
173.06117	0.3
175.03972	1.2
179.03519	8.1
185.02455	20.7
186.03238	4.0
192.05864	0.5
196.05486	0.4
197.04570	9.0
197.06328	0.7
199.03963	0.4
199.07631	1.3
208.05402	0.4
209.06143	0.9
211.04013	0.4
211.07628	0.4
212.04860	0.4
213.05545	0.5
219.04626	0.9
220.05249	2.0
221.06102	0.6
223.07654	0.6
224.04730	0.6
225.05536	1.1
227.07054	0.4
229.01340	0.4
233.05937	0.5
235.04024	1.6
236.04819	2.2
237.05608	2.3
238.06406	1.1
239.07133	1.0
241.05063	0.6
243.06660	2.1
247.04022	1.7
248.04767	4.0
249.05547	1.7
250.06203	0.6
251.03571	1.0
253.05067	0.8
255.06660	0.9
260.04797	1.1
263.03503	1.5
263.07184	0.7
264.04266	4.5
265.05072	4.3
266.05908	3.7
267.06561	1.4
268.07214	0.6
271.06094	1.5
275.03540	2.1
276.04263	5.1
277.05048	4.4
278.05328	0.5
279.03015	1.4
279.06274	0.4
280.03720	0.4
281.04657	0.6
281.08121	1.2
283.06097	1.3
283.09491	0.9
291.03006	2.0
291.06683	1.0
292.03799	7.5
293.04559	8.0
294.05386	9.1
295.06052	2.0
299.05493	0.6
303.02902	0.8
304.03790	3.0
305.04453	0.8
307.06171	5.5
309.04129	1.5
309.07687	14.0
310.08075	0.4
311.05399	0.5
313.07239	1.7
315.04886	0.4
319.02432	1.5
320.03290	12.2
321.03867	1.8
327.04993	0.9
327.08682	0.9
335.05630	35.1
336.05994	1.3
339.05090	4.7
353.06699	25.9
354.06940	1.0
359.07773	11.0
360.08084	1.1
377.08221	0.4
423.01852	0.4
507.13705	2.7
519.09399	5.0
533.10931	100.0
534.11475	3.3
535.11694	1.9
551.12048	7.4
555.11145	0.4
569.13037	0.6
643.94873	0.4
695.12756	0.5
713.11230	0.5
731.15637	2.2
749.13702	3.7
911.16840	5.8
1073.19653	0.4
1090.40674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
75.78699	0.2
90.01611	0.3
91.05534	0.3
93.03470	3.7
94.12212	0.3
95.05079	0.4
98.22625	0.7
99.00903	1.1
101.03896	0.3
105.03448	1.4
107.05042	1.0
108.02174	0.7
109.02965	15.4
117.03465	1.1
119.05041	1.2
121.02965	17.6
123.04536	6.8
129.03459	0.6
131.05067	0.7
132.02194	0.9
133.02968	11.9
134.03775	3.2
135.04538	54.0
136.04820	0.5
140.11995	0.3
145.02969	3.9
146.03781	0.5
147.04543	5.5
149.02487	0.8
151.04031	5.0
157.02975	0.5
158.03752	1.0
159.04523	6.4
160.01688	0.7
161.02457	20.0
162.03259	1.7
163.04089	0.7
167.08603	0.4
173.02457	15.2
174.03151	0.8
174.62175	0.3
175.04001	0.4
177.01942	3.2
177.05563	2.3
179.03511	42.8
180.03877	0.5
185.02475	5.3
185.06039	0.3
186.03227	1.7
187.03957	0.3
191.03519	0.8
193.06589	0.8
195.08141	0.6
196.05261	0.3
197.04549	6.0
197.06071	0.4
203.03516	1.2
207.02977	0.6
209.06041	0.8
210.06934	0.3
211.07640	2.0
221.04335	3.5
221.06570	1.7
222.06804	0.8
223.07663	1.3
224.04839	1.1
225.05569	0.6
225.09193	0.5
233.06116	0.5
235.04082	0.5
237.05602	1.1
238.06401	0.5
239.07098	3.0
240.04173	0.4
241.05319	0.4
241.08670	1.1
248.04877	0.4
249.05566	2.7
250.06313	1.0
251.03441	0.6
251.07175	2.2
252.04268	0.5
252.07893	0.5
253.05058	0.8
254.05728	0.4
255.06662	0.4
263.39954	0.3
265.05038	0.9
266.05914	1.0
267.06653	5.2
269.08218	6.9
270.08636	0.5
276.04132	0.4
277.05096	3.4
278.05734	0.7
280.03741	0.5
293.04764	0.5
294.05197	0.6
295.06131	100.0
296.06491	1.9
297.06665	0.4
313.07211	11.1
325.34186	0.4
339.04871	0.6
357.06186	12.8
359.07785	4.8
391.96497	0.3
465.12167	0.6
493.11441	30.2
494.11694	0.6
537.10431	42.8
538.11084	0.8
865.07556	0.4
1043.65649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03966	0.2
81.03461	0.4
89.03970	0.2
91.01920	0.3
91.05544	0.3
93.03487	0.8
95.05053	0.5
98.21957	0.4
99.00892	0.5
101.03958	0.2
105.03476	0.9
107.05036	1.0
108.02186	1.9
109.02967	59.5
110.03313	0.5
114.08732	0.2
115.05556	0.3
117.03496	0.7
119.05039	0.5
121.02982	1.7
122.03737	0.4
123.04538	4.8
129.03476	0.7
131.05063	0.6
132.02173	0.4
133.02229	0.1
133.02966	7.5
134.03764	3.0
135.04543	46.3
136.04907	0.7
141.03484	0.4
145.02954	2.4
146.03743	0.3
147.03355	0.3
147.04535	5.9
149.02483	0.7
151.04024	3.6
157.02985	4.4
158.03769	2.0
159.04529	14.3
160.04840	0.2
160.17090	0.2
161.02464	14.4
161.06123	0.4
162.03224	0.9
162.49567	0.2
163.04027	0.7
173.00975	0.3
173.02455	5.8
173.03868	0.4
174.03271	0.4
175.04037	2.9
177.01947	1.9
177.05568	2.1
179.03519	28.0
180.03888	0.4
185.02457	41.3
186.03233	6.6
187.03940	0.4
191.03587	0.7
195.02979	0.3
197.04593	4.4
197.06328	0.3
203.03520	6.4
211.07687	0.5
213.09349	0.5
221.04369	1.5
221.06387	0.5
222.06873	0.3
223.07661	0.7
224.04855	0.5
225.05608	1.0
227.07088	0.2
237.05746	0.4
239.07191	1.3
241.08809	1.1
246.14337	0.2
248.04901	0.4
249.05551	1.6
250.06335	0.7
251.07269	1.2
252.04375	0.4
253.05055	1.8
265.04993	0.4
266.05804	0.6
267.06638	2.8
269.08255	2.4
276.04318	0.5
277.05069	3.2
278.05862	0.6
279.03143	0.4
280.03857	0.8
293.04630	1.2
294.05301	0.7
295.06143	100.0
296.06400	1.9
313.07220	13.0
321.04825	0.2
339.05099	0.7
357.06198	8.6
359.07770	5.3
383.07617	1.5
449.12634	0.3
493.11441	23.8
494.11774	0.6
537.10425	6.6
537.18170	0.4
555.11572	0.4
665.30701	0.2
767.14392	0.3
937.59393	0.3
1015.51947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
98.22558	1.1
105.03450	0.8
107.05067	0.7
108.02164	0.6
109.02966	12.4
110.03265	0.6
115.57415	0.5
123.04555	7.0
132.02179	1.6
133.02972	22.0
134.03688	2.0
135.04544	38.0
136.04904	1.5
145.02966	1.2
147.04539	1.7
151.04050	2.6
152.04326	0.7
159.04572	3.2
161.02463	100.0
162.02838	1.6
173.02489	1.2
175.03926	0.9
179.03519	20.8
180.03831	0.8
185.02480	6.6
186.02991	2.0
195.13979	0.6
197.04558	22.0
211.07809	0.6
221.04480	0.6
223.02835	0.6
223.07607	1.2
239.06880	0.7
240.90009	0.6
241.08752	1.4
249.05736	1.0
251.07175	1.1
267.06680	1.5
269.08237	1.3
277.05118	2.2
279.03067	1.7
280.03867	0.9
293.04681	2.2
295.06161	13.2
296.06467	2.6
297.06927	1.2
313.07303	3.9
321.04071	10.6
322.04428	0.9
339.05212	4.6
357.06219	5.9
359.07755	84.3
360.08057	2.6
493.11636	2.8
494.11807	1.0
519.09302	17.8
520.09912	0.8
537.10266	3.2
555.11536	0.8
557.12720	0.8
717.14587	8.2
735.16040	1.4
987.86212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
77.53539	0.5
84.78343	0.5
92.53223	0.6
93.83192	0.5
105.03459	0.6
108.02171	0.8
109.02962	6.4
123.04527	7.6
128.80971	0.5
132.02216	1.4
133.02974	23.5
134.03714	2.1
135.04538	27.1
147.04549	1.1
149.02473	0.7
151.04028	2.1
159.04520	1.9
161.02460	100.0
162.02902	0.9
175.04007	0.9
177.01917	0.7
177.05560	0.7
179.03510	18.2
185.02414	3.2
197.04556	21.8
203.03487	0.9
223.07674	1.0
241.08643	0.6
249.05682	1.3
251.07193	1.0
267.06625	0.6
269.08212	1.2
277.05148	1.0
279.03094	1.0
293.04532	1.1
295.06180	8.8
296.06488	1.3
313.07114	3.4
321.04068	5.8
339.05103	3.6
349.80038	0.5
357.06271	5.9
359.07751	85.1
359.69492	0.5
360.08191	2.1
361.08456	0.6
386.48355	0.5
397.82986	0.5
461.86850	0.6
493.11292	1.4
519.09344	11.6
522.34912	0.6
537.10303	1.9
717.14728	9.6
910.50696	0.7
1008.76978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
81.38674	0.1
84.99341	0.5
87.00883	4.2
89.03984	0.7
95.01410	0.1
96.99327	0.1
106.04250	0.2
107.05054	0.1
108.02177	0.5
109.02963	0.7
110.00126	0.1
111.00895	1.7
112.98824	15.2
117.03486	1.2
121.02979	0.3
123.04527	0.2
127.00378	1.1
127.29776	0.1
130.04265	0.2
130.99886	1.3
132.02193	2.4
133.02965	1.4
134.03757	29.6
135.04544	2.5
135.05508	0.1
136.01691	1.1
137.02444	1.1
139.00371	0.5
139.04045	0.4
144.02205	0.3
145.02986	0.4
146.03734	0.5
147.04546	1.3
148.01723	0.7
148.05299	0.6
149.02461	0.2
149.06100	8.6
150.03223	0.3
151.04027	1.5
153.05609	0.6
154.99878	0.7
158.03755	0.9
159.04523	1.6
160.01678	10.3
161.02463	8.3
161.06117	0.2
162.03246	12.4
162.84953	0.1
163.04044	1.6
163.07695	0.1
164.04832	0.2
165.05568	0.2
173.02457	0.7
173.06090	0.3
174.03195	0.9
175.04024	13.8
176.04814	2.7
177.02057	0.2
177.04037	0.2
177.05588	4.8
178.01160	0.2
178.02733	4.4
179.03534	0.4
179.07123	0.2
185.02458	1.2
186.03224	1.5
189.01988	0.4
189.05571	0.3
190.02734	8.1
191.03355	0.2
191.07156	4.7
192.04355	0.2
193.05074	13.1
194.02237	0.1
197.04605	0.4
201.01945	0.3
201.05579	1.1
202.02750	3.9
203.03534	0.4
204.04301	1.2
205.05077	9.0
207.06644	0.3
213.01965	0.2
214.02739	0.5
215.03569	0.1
217.05051	0.3
218.00064	0.1
218.02211	2.9
219.03062	0.1
219.06618	2.5
220.03790	0.2
227.03545	0.5
229.01329	0.1
229.05058	0.2
230.02226	4.1
233.04570	42.9
234.04866	0.3
235.06143	2.4
245.04561	5.1
246.01715	0.2
248.03282	0.6
250.01102	0.6
255.02971	1.0
257.04495	0.1
261.04037	0.4
263.05630	1.7
266.05887	0.1
277.05136	0.1
284.03351	1.5
285.04034	1.8
289.03595	2.8
295.06082	0.8
296.06491	0.3
301.18646	0.1
307.04620	100.0
308.04984	0.7
313.07132	0.2
321.04147	0.3
339.05167	0.3
357.06088	0.1
359.07834	0.9
436.36536	0.1
501.10712	0.7
501.17389	0.1
519.09265	0.4
593.15137	3.5
717.15515	0.2
773.03497	0.1
854.86566	0.1
1030.75696	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	1097.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01418	0.5
87.00885	2.8
89.03987	0.8
95.28236	0.3
98.22729	0.3
104.55798	0.3
104.89729	0.3
107.01416	1.3
107.63452	0.3
108.02177	0.8
109.02975	0.9
111.00890	1.1
112.98823	9.5
117.03481	0.6
121.02993	1.0
127.00415	0.6
128.29921	0.3
130.99896	0.8
132.02182	1.9
133.02962	0.9
134.03754	22.3
135.00894	0.4
135.04547	1.8
136.01675	0.8
137.02451	0.6
139.04012	0.4
146.03748	0.4
147.04541	0.8
148.01678	1.0
148.05276	0.9
149.06100	5.6
150.03258	0.4
151.00391	6.2
151.04016	1.0
153.05617	0.6
158.03796	0.5
159.04529	1.0
160.01672	7.3
161.02458	5.8
162.03236	9.9
162.04587	0.6
163.00410	1.3
163.04010	0.9
165.05663	0.3
173.02383	0.5
173.06036	0.3
174.03230	0.8
175.04018	9.9
176.04774	2.4
177.05582	3.0
178.02756	2.9
178.99892	2.9
186.01659	0.3
186.03226	1.4
189.01930	0.5
190.02733	5.7
191.03413	0.3
191.07149	2.9
193.05074	9.0
197.04434	0.3
199.04065	0.4
201.05574	0.6
202.02733	2.3
204.04271	0.7
205.05051	6.3
207.06493	0.5
211.03954	0.5
214.02556	0.3
215.03462	0.4
218.02240	2.3
219.06689	1.4
226.02707	0.5
227.03554	1.4
230.02223	2.5
233.04562	29.9
235.06169	1.1
243.02979	4.6
245.04559	3.9
250.01001	0.4
254.02226	1.2
255.02997	11.0
263.05658	0.9
271.02502	23.0
272.03162	1.1
273.04031	0.6
283.02441	0.7
289.03674	2.0
299.02017	0.7
300.02774	49.6
301.03549	20.7
307.04620	57.1
308.05026	0.7
325.05606	0.7
325.24597	0.3
334.82104	0.3
343.04666	0.7
352.53256	0.3
501.10828	0.5
595.13086	100.0
596.13287	1.6
671.66614	0.4
957.16040	0.4
1101.35144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.404
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05044	4.9
94.06641	2.4
106.06645	2.0
107.03778	4.0
118.42646	1.1
121.05350	2.0
122.06123	23.7
123.06418	1.1
132.04544	2.2
133.02988	2.5
134.06146	8.1
135.04558	2.8
148.04034	2.4
152.07195	32.0
160.04057	1.3
160.06458	3.0
161.02461	7.7
174.05603	3.1
176.03755	1.1
178.02737	1.0
178.41913	0.9
179.03471	1.7
190.05118	2.1
213.10344	21.1
223.08676	1.8
225.10422	1.8
226.11156	2.3
237.10271	2.5
239.11923	12.3
241.13524	12.5
245.12886	6.7
247.87251	1.1
251.11908	2.2
263.08429	1.1
265.09909	2.2
285.12466	45.6
293.10242	1.5
293.13040	8.4
295.11057	5.4
297.12216	1.2
313.11948	4.8
316.14514	1.3
323.10321	6.0
325.11798	2.6
326.12808	1.6
328.11166	2.4
332.17651	1.4
342.12424	3.5
343.13464	2.7
344.14029	1.6
355.12946	4.3
356.13821	1.5
356.17813	2.4
357.14655	3.1
358.15628	21.3
359.16251	1.4
370.11877	2.1
384.13605	3.6
385.14703	1.8
399.16037	2.1
400.16650	19.5
412.16577	7.1
497.26038	2.4
509.22363	3.0
523.23474	5.7
524.24036	1.9
565.24548	36.1
566.25134	1.7
581.24103	1.3
597.27423	1.8
609.23572	100.0
610.23926	5.0
611.24689	1.9
641.26184	95.6
642.26453	2.9
935.46576	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	1097.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
97.72088	2.1
98.21897	5.4
121.02904	2.8
122.03757	2.9
123.04562	2.8
133.02940	6.8
134.03784	4.4
135.04518	8.4
137.02515	2.6
151.04042	4.7
152.78212	1.9
160.05240	2.5
161.02443	5.9
161.06113	1.9
172.05315	5.9
173.06088	3.7
174.03181	2.0
175.03946	3.5
178.02788	3.5
179.03439	3.8
187.03981	4.8
190.06389	2.6
201.05609	2.8
202.06415	2.4
211.13416	2.8
271.13507	3.6
277.21747	8.5
283.13400	16.2
301.14505	10.5
309.15002	4.7
315.15906	18.0
325.14438	2.3
327.15933	12.5
333.17032	4.7
335.83310	1.8
345.17093	4.3
368.47601	1.9
668.09723	2.3
841.47211	2.1
867.44562	2.8
885.46198	4.9
899.47766	5.6
903.47656	98.6
917.49133	20.1
935.50165	100.0
945.84882	2.4
1065.50977	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	1097.6791
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95492	0.5
78.95913	5.2
150.19041	0.3
152.99622	1.4
168.04347	1.7
194.70619	0.3
201.17293	0.3
224.06924	1.0
238.32680	0.3
242.08058	2.6
261.22125	0.4
279.23312	100.0
280.23615	0.9
504.31018	73.0
505.31396	1.1
519.27289	0.4
572.70135	0.3
578.34619	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	1098.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
78.68947	1.6
81.03432	1.7
89.03954	1.5
93.03474	1.8
108.02185	5.7
109.02963	44.5
117.03380	1.9
121.02967	4.4
122.03777	3.9
123.04546	19.0
124.86786	1.2
133.02979	18.6
134.03761	22.4
135.04553	12.1
137.02451	10.6
139.04010	5.0
141.03503	1.8
145.02974	4.2
147.04533	3.7
149.02470	5.4
150.03253	8.0
151.04024	95.7
157.03012	1.9
158.03804	1.6
159.04523	5.5
160.01718	2.1
161.02467	31.2
162.03203	1.7
173.02415	6.6
174.03203	1.5
174.71310	1.3
175.04054	2.3
178.02750	24.9
179.03578	7.3
180.94579	1.4
185.02443	35.9
186.03279	8.4
193.06590	5.2
195.02972	6.4
197.04546	3.6
197.06190	1.8
198.03249	3.2
201.01849	2.1
204.05788	1.8
209.06145	3.3
213.02057	3.3
219.04518	3.9
220.05377	2.6
221.06190	10.7
223.03935	1.9
224.04744	3.0
225.05710	3.0
232.05266	2.9
237.05615	4.6
239.07224	3.0
247.04070	4.2
248.04756	10.6
249.05635	24.0
250.06271	1.5
251.03613	11.1
251.05934	2.4
252.04285	9.8
252.06761	3.6
253.04942	1.6
263.03412	2.2
264.04251	2.9
265.05045	18.0
265.07590	2.7
266.05655	3.3
267.06592	6.7
275.03601	4.6
276.04233	4.9
277.05035	26.7
277.07925	1.8
278.05527	1.4
279.02994	30.6
279.05869	2.9
280.03708	10.5
280.06412	3.3
292.03802	4.5
293.04575	35.0
294.05237	5.8
294.08109	2.1
295.06122	29.1
296.06033	4.0
303.02966	4.5
304.03894	2.0
312.08603	1.4
319.02481	8.2
320.03265	1.8
321.04071	100.0
322.04633	4.7
325.05716	1.6
326.06735	2.0
339.05048	42.6
340.08325	8.4
342.06174	3.7
342.09991	1.9
356.11453	1.9
370.05881	2.5
372.10840	3.0
374.10153	2.1
388.06808	4.0
400.11252	1.9
403.09857	1.7
417.11295	1.6
418.11707	8.3
460.14304	2.0
479.03903	1.7
491.16129	4.0
506.14575	6.7
519.09454	6.4
534.14124	3.8
552.14886	13.5
561.12524	2.4
568.14502	8.5
578.13049	3.8
579.13983	46.2
580.14618	15.6
596.14075	34.8
614.15106	42.7
654.52008	1.9
663.06592	1.7
714.18195	6.5
715.18665	2.0
730.17438	4.0
739.15417	15.7
740.16052	7.2
758.17462	11.6
758.41284	1.8
776.18347	64.6
848.21655	3.8
892.20642	5.3
901.19208	13.0
918.18103	4.6
936.20074	61.1
1045.32385	1.8
1098.22998	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1098.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03469	1.2
91.32427	0.9
93.03455	2.2
95.05058	1.3
96.96046	1.1
105.03437	1.7
106.04246	0.9
107.05041	2.0
108.02187	6.7
109.02968	55.3
110.03321	1.1
111.00793	0.8
115.05592	1.2
117.03477	1.1
121.02999	7.2
122.02341	0.9
122.03797	6.4
123.04539	25.2
123.57328	0.9
129.03465	1.2
132.02213	1.8
133.02977	25.8
134.02695	1.6
134.03760	30.7
135.04541	11.2
137.02460	16.6
139.04053	5.0
145.02998	4.4
146.03752	2.9
147.04573	4.6
149.02458	4.6
150.03233	4.8
151.04027	100.0
157.02940	4.0
158.03723	1.6
159.04543	7.9
160.01746	1.1
161.02463	24.6
161.03743	1.8
173.02518	5.4
174.03195	3.4
175.04022	2.9
177.01955	1.4
178.02734	27.9
179.03503	7.0
185.02469	39.1
186.03230	8.1
187.03935	1.2
193.06621	4.4
195.03081	4.9
195.04527	1.4
197.04570	3.5
197.06194	1.4
198.03304	2.3
199.04083	1.3
201.01996	1.4
204.05853	2.0
208.05319	2.2
209.06111	3.5
211.07721	1.3
213.02010	4.2
213.05571	1.0
219.04514	2.8
220.05301	3.0
221.06129	8.5
223.03992	2.6
224.04782	2.5
224.07059	1.2
225.05612	4.3
232.05312	2.4
235.03999	2.8
236.04839	2.3
236.07135	1.1
237.05692	6.9
237.07878	1.4
238.06487	1.3
239.07257	2.0
240.06671	2.1
247.04109	5.1
248.04872	7.6
249.05618	19.7
249.07941	0.8
250.02774	1.7
250.06305	1.5
251.03674	7.7
251.05957	2.5
252.04221	5.7
252.06694	3.5
253.05066	2.1
253.07484	1.6
254.08168	1.8
263.03448	2.0
263.05978	2.0
264.04266	2.3
264.06738	2.1
265.05093	16.7
265.07596	1.5
266.05637	2.6
266.08218	1.2
267.06686	8.8
268.06659	1.2
270.08032	1.0
275.03549	3.6
276.04300	6.3
277.02118	1.5
277.05093	22.8
278.05264	1.4
279.02997	20.7
279.05652	2.0
280.03726	8.1
280.06494	2.4
281.07181	1.4
282.07660	1.7
292.03757	3.3
293.04605	34.7
294.05173	7.8
294.07486	1.2
294.08102	1.9
295.06137	30.5
296.05981	2.6
296.09271	1.5
297.06406	1.1
303.02963	3.2
306.05447	1.5
307.05731	3.0
308.06561	2.8
311.08585	1.1
312.06003	1.0
312.09229	1.1
314.10220	1.3
319.02451	3.0
321.04056	68.1
322.04578	8.1
325.06116	1.1
326.06937	1.1
326.10437	1.5
328.08203	1.5
338.04361	1.6
339.05075	69.5
340.08414	7.3
342.06271	3.0
342.09998	2.1
343.10535	1.1
354.09772	1.2
356.11465	1.0
370.05884	1.5
372.10947	4.0
374.10181	1.3
386.10275	1.7
388.06702	2.5
388.11514	1.4
398.09210	1.2
400.10620	1.8
404.11856	1.2
416.10867	1.6
417.11914	2.2
418.11334	8.5
430.10672	2.3
460.14243	1.2
463.12820	2.1
473.08835	9.9
474.09711	4.0
476.13269	1.3
490.15164	1.2
491.16098	2.2
506.14481	4.5
507.15045	1.2
517.07794	2.0
518.08380	1.7
519.09357	13.1
534.14020	4.0
543.90344	0.9
552.15179	28.1
553.15686	4.4
561.12720	2.7
562.13702	1.1
568.14569	9.0
578.12872	4.5
579.13824	29.1
580.14600	16.2
596.14056	26.7
614.15186	44.2
640.13934	0.9
714.18268	12.2
715.18549	3.7
730.17456	4.5
739.15002	2.4
740.16876	1.5
758.17078	14.2
776.18402	49.7
781.19055	1.0
864.21619	1.0
874.19885	2.8
890.18524	1.3
892.05182	1.5
892.21356	19.1
918.19055	6.2
936.20020	45.2
1054.24182	1.9
1098.23218	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	1100.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03471	1.4
93.03481	1.0
95.05024	1.4
105.03455	0.9
107.05032	1.6
108.02187	2.3
109.02969	3.4
121.02982	4.3
122.03750	2.1
123.04543	19.5
126.74683	0.6
132.02158	1.1
133.02975	20.2
134.03763	22.0
135.04562	10.2
137.02467	11.1
139.04041	4.0
149.02454	2.5
149.06192	0.6
150.03262	4.1
151.04028	67.9
154.68950	0.6
161.02464	36.0
162.03209	1.7
177.01941	1.1
178.02736	21.9
179.03540	7.2
181.05171	0.6
190.02667	0.8
195.03011	1.3
197.04568	2.7
211.06282	0.7
221.34050	0.5
236.07161	1.0
237.07924	0.7
239.05937	1.4
240.06592	0.8
251.05872	1.7
252.06673	2.0
254.08054	0.8
264.06641	1.7
265.07480	0.7
266.08026	0.7
268.06180	0.8
279.05417	1.1
280.06210	1.4
282.07678	1.1
295.04935	1.0
296.09421	1.2
307.04880	0.9
312.08649	1.1
313.06287	0.7
314.10394	1.0
322.07440	0.9
323.99341	0.9
325.05914	1.1
326.06482	1.1
327.07449	0.9
328.08212	1.5
339.07568	1.4
340.08298	5.5
342.06174	1.5
342.09772	1.4
343.10690	1.1
358.09659	0.7
372.10938	1.6
376.45255	0.8
388.06699	0.8
400.10791	1.0
416.11099	1.2
417.11020	1.0
418.11484	5.1
460.14252	2.8
476.13589	1.2
490.15289	1.0
491.15723	1.0
506.14606	1.6
507.13840	0.9
534.14362	1.5
535.14838	0.6
552.15137	2.1
578.12659	2.9
579.13879	20.7
580.14514	10.3
596.14166	4.5
614.15198	19.3
625.19427	0.9
699.24524	1.1
700.25305	2.2
714.18018	3.3
730.17511	1.6
731.18719	1.4
740.15955	1.1
741.16827	1.7
742.18109	1.2
744.24207	1.0
758.17297	8.4
776.18414	100.0
777.19171	1.8
920.19928	3.2
938.21631	47.5
939.22198	1.0
1100.24829	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	1102.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
88.00517	0.8
91.01906	0.9
93.03477	2.0
93.48721	0.6
108.02206	3.0
109.02965	44.9
121.02967	6.4
122.03780	0.8
123.04541	14.3
132.02180	2.6
133.02974	18.7
134.02467	0.9
134.03761	1.2
135.03426	1.4
135.04538	15.0
136.04030	0.7
139.92993	0.7
141.03548	0.9
141.71471	0.7
145.02975	2.2
146.02518	2.7
147.03267	2.8
147.04529	3.1
148.04102	3.4
149.02443	3.6
151.04062	0.7
157.02965	3.1
158.03700	1.3
159.04553	5.0
160.01686	0.8
160.04059	2.8
161.02463	32.3
162.01892	1.0
163.02774	1.2
173.02470	4.1
175.02744	2.8
178.05161	2.2
179.03572	5.6
179.04988	1.2
185.02460	37.4
186.03268	6.1
190.44374	0.8
191.02231	1.2
193.06633	3.1
197.04633	1.9
201.01978	1.3
203.03609	1.1
204.05865	1.2
206.04633	0.9
209.06125	3.0
211.07877	0.7
213.02029	0.9
219.04605	1.3
220.05280	2.1
221.06065	6.8
223.04027	1.7
224.04785	2.7
224.07066	0.7
225.05737	3.6
225.07748	1.1
232.05333	1.9
235.04018	1.4
237.05606	4.5
239.07135	2.2
240.06697	1.1
247.03992	3.1
248.04758	3.5
249.05623	12.8
250.06294	1.3
251.03503	6.4
251.05751	1.3
252.04413	3.6
252.06815	1.8
253.05025	1.7
254.04633	1.5
255.05476	2.0
256.06186	1.4
257.06955	4.2
259.38766	0.7
263.03577	2.0
264.04251	1.7
265.05048	9.9
266.05792	1.6
267.06818	6.8
268.06082	4.9
269.06775	6.8
270.07678	4.0
272.09308	8.6
275.03625	1.1
276.04318	2.4
277.05078	17.7
278.05655	1.0
279.03003	21.0
279.05869	1.6
280.03732	6.4
280.06296	3.3
281.04205	1.4
281.06967	10.7
282.07819	6.2
284.09311	2.2
292.03833	1.1
293.04590	16.5
295.06140	53.9
296.06403	1.6
296.09360	4.5
297.06494	2.9
298.07089	1.1
303.03000	2.2
308.05685	5.0
310.07111	1.1
310.17709	0.8
312.08835	5.9
313.07193	1.5
319.02567	1.9
321.04050	81.5
322.04361	1.1
325.06000	1.7
326.06708	3.1
328.08206	1.1
334.09543	0.9
339.05115	89.1
340.08362	15.6
346.09290	10.2
356.07764	3.0
358.09354	100.0
359.09503	0.9
374.08875	0.8
384.07361	2.9
386.08902	2.3
402.08347	42.7
403.06970	2.9
404.09763	0.7
420.09424	2.7
449.28372	0.7
483.07675	0.8
493.11240	4.7
508.12573	15.8
519.09381	24.0
520.12555	16.7
537.10822	1.9
538.13953	1.0
546.10419	3.1
548.12170	1.1
564.11682	2.9
582.12634	20.2
668.14069	1.1
672.17487	1.5
680.14014	4.4
698.15204	25.2
724.12903	4.8
742.14105	5.9
754.71454	0.8
860.18091	8.8
878.18390	1.4
904.17896	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	1103.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
79.92560	0.8
93.03463	0.8
107.05029	0.9
108.02160	2.4
109.02964	51.1
113.03990	1.5
121.02961	2.9
123.04528	2.4
124.01656	1.3
124.88922	0.7
133.02974	2.8
134.03741	3.1
135.04547	29.3
137.02463	1.4
145.02934	2.2
147.04550	6.0
148.01711	1.4
149.02435	3.3
151.04082	2.2
151.88785	0.8
157.02960	3.8
158.03697	1.1
159.04509	6.3
160.01601	1.4
161.02467	6.9
163.03989	1.5
164.01186	2.4
167.03564	1.1
167.04980	0.9
173.02448	3.6
175.03986	2.8
177.01892	3.9
179.03525	17.0
179.05078	0.9
181.06569	1.2
185.02457	39.6
185.06021	1.2
186.03201	6.5
187.03993	1.0
189.02043	1.0
193.06621	2.4
195.04503	2.2
196.05353	1.5
197.04504	2.5
197.06084	2.0
199.07750	1.1
203.03467	1.4
204.05624	0.8
207.03018	2.0
207.04784	1.1
208.05357	1.7
209.04454	1.2
209.06143	7.2
210.06808	0.9
211.03984	2.4
211.07640	1.2
213.02058	1.4
213.05510	1.6
219.04538	2.2
220.05273	1.7
221.06023	5.5
222.23329	0.9
222.86238	0.9
223.04149	1.6
224.04784	3.1
225.05579	8.9
226.06441	1.1
227.03500	2.4
227.07152	1.8
228.04346	4.6
229.01422	1.1
229.05136	0.9
233.06017	1.3
235.04015	2.2
236.04761	3.2
236.85243	1.0
237.05580	5.7
238.06468	1.6
239.03551	1.4
239.07170	2.3
240.04340	2.6
241.05003	3.5
243.06633	3.5
245.04543	1.1
247.03999	2.2
247.06267	1.0
248.04846	4.8
249.05554	12.1
250.02737	1.4
250.05959	1.1
251.03503	6.1
251.07166	1.2
252.04318	4.4
253.05078	9.2
254.05824	5.4
255.03047	2.0
255.06638	2.7
256.03680	2.7
257.04404	1.1
261.03967	1.2
261.07733	2.2
263.03549	3.1
263.43518	0.9
264.04218	4.1
265.05109	13.8
266.05551	1.7
267.06683	6.6
269.04514	1.6
269.08087	2.6
270.05084	1.8
271.06137	3.0
275.03421	1.0
276.04263	1.4
277.05063	16.8
278.05859	1.0
279.03003	19.3
280.03711	9.4
281.04541	10.7
282.05203	1.9
283.06073	1.2
284.03226	3.4
289.07169	1.8
292.03531	1.4
293.04596	16.4
294.05154	1.1
295.06149	48.5
296.06439	1.7
297.04077	1.2
297.07263	1.6
299.05740	5.2
301.07065	1.1
303.02863	2.2
309.03931	2.9
311.05722	3.4
313.07288	10.3
314.04404	4.0
315.05127	3.0
316.06076	1.4
319.02307	2.0
321.04056	100.0
322.04449	4.3
323.05545	2.5
324.06454	1.7
327.05270	6.2
329.06674	5.8
331.08325	1.2
333.06207	10.4
339.05124	49.4
340.05460	3.6
341.06665	21.1
357.06107	2.4
358.09232	3.0
359.07596	7.4
367.44403	0.9
385.05673	8.1
389.05124	2.8
402.08252	1.4
403.06726	60.7
405.08081	1.2
421.07822	22.4
429.42694	1.1
493.11423	3.7
519.09357	56.6
520.10065	2.2
539.12305	1.3
551.08032	1.1
565.09967	24.5
583.10974	20.0
681.12537	2.2
693.08386	1.0
699.13910	1.4
710.89337	0.8
725.11554	26.7
725.24426	1.3
743.12750	3.2
750.85614	1.0
905.15784	2.9
923.16211	1.1
1081.74573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
80.62040	0.3
91.01884	0.5
93.03472	0.4
108.02172	2.2
109.02960	54.9
113.03999	0.5
115.05520	0.6
121.02979	1.8
123.00916	0.4
123.04528	1.2
129.03455	0.5
133.02959	0.9
134.03668	0.5
135.04544	4.4
137.02461	2.8
138.03255	0.5
145.02980	2.3
147.04539	2.9
149.02444	2.5
151.03990	0.5
156.02191	0.5
157.02960	2.4
158.03725	0.8
159.04501	5.2
160.01645	0.9
161.02434	2.1
165.01991	0.9
166.02769	1.2
173.02435	3.9
174.03223	0.9
175.04036	1.1
179.03572	2.0
179.04950	0.5
181.05109	0.8
181.06532	0.4
183.04550	0.4
184.01657	0.9
185.02444	41.8
186.03217	9.0
186.04794	0.8
187.04028	0.4
193.06552	2.5
195.04530	0.5
196.05341	0.4
197.04526	1.0
197.06139	0.8
200.01233	0.4
201.01900	0.8
203.03476	0.9
203.05103	0.5
204.05890	0.8
205.06615	0.4
207.04630	0.5
208.05365	0.8
209.06070	2.7
211.04158	0.6
211.07649	1.1
213.01965	0.7
219.04507	1.6
220.05315	2.1
221.06114	6.9
222.06842	0.5
223.04059	1.5
223.07645	0.5
224.04800	2.0
225.05559	4.3
227.03532	0.4
232.05338	1.4
233.06087	1.2
235.04071	1.1
236.04839	1.2
237.05534	3.5
238.06177	0.4
239.07117	3.2
241.05138	0.6
247.03984	2.2
248.04861	4.0
249.05582	13.3
250.02792	1.0
250.06311	1.3
251.03505	5.6
251.07025	1.0
252.04321	5.5
253.05040	1.4
260.04688	1.0
263.03452	1.1
264.04202	1.9
265.05078	8.8
266.05707	2.3
267.06641	9.4
269.04630	0.7
269.08212	0.8
275.03513	1.6
276.04312	3.7
277.05084	20.2
278.02380	0.4
278.05780	1.5
279.03018	17.9
280.03790	10.3
280.06946	0.5
281.04523	1.7
281.08069	0.4
291.03049	0.8
291.06570	0.4
292.03857	1.5
293.04587	19.3
293.07687	0.7
294.05301	1.4
295.06134	45.6
296.06485	0.7
303.03079	2.7
304.03677	0.9
307.06119	1.3
311.05719	0.6
313.07355	0.9
317.04645	0.6
319.02481	2.7
319.05981	0.8
320.02927	0.4
321.04056	54.7
322.04523	1.2
323.05447	0.4
334.04852	1.2
335.05246	0.4
339.05106	90.7
340.05444	1.3
349.07120	0.9
359.07822	0.7
363.05133	0.5
381.06149	3.5
393.05927	0.7
405.08118	0.7
433.12991	1.0
459.10883	6.7
477.12015	4.8
493.11520	3.1
503.09891	100.0
504.10056	1.7
519.09393	19.0
521.11096	2.6
537.10315	1.1
547.09119	1.2
549.10211	1.7
585.12537	1.4
827.01959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
80.29627	0.3
83.33647	0.3
91.01887	0.4
93.03493	0.5
94.92297	0.3
98.22585	0.8
108.02194	1.7
109.02964	43.3
112.66566	0.3
112.82264	0.3
113.04006	0.8
115.05627	0.5
121.02985	1.3
122.81481	0.3
123.04532	2.1
129.03508	0.4
134.03746	1.0
135.04544	9.1
137.02423	0.8
138.03307	0.5
141.03485	0.6
145.02975	1.5
147.04527	2.2
149.02426	1.2
157.02965	3.2
158.03754	0.8
159.04515	5.3
160.01628	0.5
161.02461	0.6
165.07040	0.4
166.02672	0.5
173.02451	4.3
174.03242	0.6
175.03995	2.1
179.03545	3.2
180.80550	0.3
184.01656	0.4
185.02452	37.0
186.03241	6.5
187.04030	0.8
193.06618	1.9
195.04510	0.7
195.94420	0.4
197.04562	2.6
197.06052	0.5
201.01965	0.7
203.03531	1.8
205.06569	0.5
207.04385	0.5
208.05333	0.6
209.06113	1.2
211.03978	0.5
211.07513	0.4
213.01956	0.6
219.04587	0.8
220.05322	1.2
221.06100	4.3
223.04031	1.0
223.07608	0.5
224.04803	1.3
225.05626	2.8
229.01512	0.7
232.05328	1.3
235.04063	0.8
236.04774	1.0
237.05556	2.4
238.06438	0.6
239.07178	1.7
247.04088	2.0
248.04849	3.1
249.05571	9.6
250.02780	0.6
250.06320	1.1
251.03526	5.1
251.07164	0.8
252.04309	3.4
253.01419	0.7
253.05063	1.4
260.04822	0.6
263.03577	1.0
264.04263	1.4
265.05112	8.8
266.05832	1.1
267.06613	4.7
269.08197	0.8
275.03384	1.6
276.04239	2.6
277.05090	14.4
278.02444	0.6
278.05777	0.8
279.03021	17.2
280.03760	5.9
291.03104	0.5
292.03796	0.9
293.04590	13.8
294.05148	0.7
295.06140	47.1
296.06561	0.6
303.02979	3.2
304.03802	0.4
313.07324	2.2
319.02411	1.1
320.03217	0.4
321.04056	100.0
322.04459	1.0
339.05099	24.8
340.05511	0.3
383.73761	0.4
459.11539	0.4
473.08853	0.7
475.10101	0.5
493.11426	15.5
493.18652	0.8
503.09921	1.7
508.84109	0.4
519.09375	89.3
520.09576	1.6
537.10278	1.8
836.56683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
91.01897	0.6
93.03467	0.6
98.21801	0.9
108.02185	2.7
109.02963	57.3
113.03999	0.4
115.05506	0.7
121.02959	1.3
123.00890	0.5
123.04539	1.3
124.01687	0.6
129.03578	0.5
133.02986	0.9
135.00949	0.6
135.04538	4.1
137.02467	3.3
138.03229	0.5
139.04001	0.5
141.03459	0.8
145.02963	2.4
147.04543	2.8
149.02512	2.6
150.03268	0.8
151.03926	0.6
157.02991	2.6
158.03786	1.0
159.04546	4.5
160.01694	1.0
161.02478	2.3
165.01956	0.8
166.02736	0.9
173.02441	5.0
174.03162	0.8
175.04033	1.0
179.03517	1.9
179.36656	0.5
181.05147	0.7
181.06534	0.6
185.02457	41.7
186.03239	9.5
187.03905	0.8
193.06604	2.6
195.04482	0.9
195.93056	0.4
197.04526	1.6
197.06142	0.9
201.01965	0.7
203.03450	1.0
205.06602	0.9
208.05357	1.2
209.06107	2.9
211.04153	0.6
211.07727	0.8
213.01923	1.3
214.02734	0.7
219.04556	1.3
220.05365	1.4
221.06114	6.4
223.04018	0.9
223.07631	0.9
224.04811	1.6
225.05565	4.9
229.01500	0.7
231.04675	0.6
232.05280	1.5
233.05827	0.6
235.04022	1.0
236.04834	0.6
237.03496	0.6
237.05545	3.2
238.06308	1.0
239.07175	3.4
247.04037	2.4
248.04802	3.8
249.05577	12.8
250.02637	0.7
250.06281	1.9
251.03438	5.4
251.07251	0.9
252.04341	5.1
253.05051	1.5
260.04526	0.7
261.05322	0.6
263.03476	1.0
264.04227	1.7
265.02231	0.5
265.05087	9.5
266.05823	2.7
267.06674	9.8
269.04602	0.9
269.08228	1.6
275.03540	2.2
276.04236	2.9
277.05075	22.9
278.05835	1.1
279.03015	16.9
280.03775	11.8
281.04553	1.5
291.03003	0.5
292.03760	1.8
293.04599	20.3
293.07745	0.7
294.05231	1.6
295.06134	55.3
296.06589	0.6
303.02930	2.2
304.03839	0.6
305.04767	0.5
306.05417	0.6
307.06235	1.1
311.05606	0.8
313.07156	1.7
317.04391	0.8
319.02429	1.9
319.05984	0.9
321.04059	60.6
322.04443	1.7
334.04938	1.1
339.05109	99.8
340.05447	1.9
349.06979	0.8
381.06088	4.3
393.05933	0.6
433.13025	0.9
459.10925	6.5
477.11841	4.7
493.11307	3.4
503.09900	100.0
504.10043	1.0
517.96686	0.5
519.09399	19.0
521.11108	2.6
537.10822	1.2
547.08777	1.2
549.10388	1.5
585.12427	0.8
907.15955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
86.81977	0.7
108.02190	10.6
109.02952	3.6
122.37193	0.8
123.04537	10.6
133.02994	1.5
134.03725	2.8
135.04546	30.6
144.02164	0.7
145.02997	3.8
147.04532	1.7
151.04068	1.5
157.02939	1.5
158.03773	1.0
159.04546	3.6
160.01634	1.4
161.02525	4.0
173.02449	0.8
175.04042	1.2
179.03488	5.7
185.00861	1.6
185.02444	25.2
186.03258	5.7
186.25221	0.8
193.06491	0.8
197.04543	5.2
200.12074	0.8
208.05441	0.9
209.06071	1.0
219.04503	1.7
220.05296	1.5
221.06067	1.1
229.01590	0.8
232.00218	0.9
235.03973	2.1
236.04703	2.5
237.05481	1.3
238.06351	1.0
247.04010	2.4
248.04823	4.7
249.05602	2.1
260.04788	1.7
263.03326	1.8
263.07266	1.3
264.04294	6.4
265.05200	4.7
266.05994	3.7
267.06760	1.2
275.03586	2.9
276.04184	6.1
277.04999	5.1
279.02966	3.3
291.02985	2.7
291.06595	0.8
292.03854	10.5
293.04593	10.8
294.05405	8.5
295.05991	2.0
304.03754	2.8
305.04358	1.3
307.06192	5.1
309.07706	12.2
309.39716	0.8
319.02261	1.2
320.03271	12.1
321.03949	3.1
327.08658	1.7
335.05637	36.2
335.09695	2.0
339.05032	1.6
353.06705	26.1
354.06940	0.8
367.04553	1.7
423.09390	1.4
489.11646	1.0
507.13309	4.5
519.09430	1.3
533.10956	100.0
534.11377	4.6
535.11304	2.1
551.11975	7.6
731.15692	1.7
741.42999	0.8
889.22162	1.0
905.90546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03481	0.3
91.01904	0.3
93.03483	0.3
98.21900	0.5
103.77735	0.2
107.01420	0.2
108.02184	1.3
109.02963	23.2
110.03290	0.2
113.03989	0.5
115.05521	0.3
117.03434	0.2
121.02963	0.5
123.04535	1.0
129.03468	0.2
131.30412	0.2
134.03731	0.5
135.04543	4.9
141.03474	0.3
145.02977	0.6
147.04529	1.6
149.02434	0.8
149.72542	0.2
157.02956	1.5
158.03787	0.4
159.04523	1.8
160.01738	0.4
161.02426	0.5
163.04028	0.2
165.07076	0.3
173.02443	1.8
174.03250	0.4
175.04050	1.0
175.05339	0.2
179.03542	2.0
179.04976	0.3
179.55531	0.2
184.01692	0.5
185.02455	19.7
186.03230	3.6
187.03999	0.3
191.05099	0.2
193.06596	1.6
195.04465	0.4
197.04546	1.6
197.06026	0.3
200.01187	0.2
201.01965	0.5
201.93456	0.2
203.03508	0.6
203.05193	0.2
204.05821	0.6
205.06625	0.5
207.04616	0.3
208.05341	0.3
209.06151	1.3
211.07698	0.4
213.01915	0.3
213.05598	0.3
213.80063	0.2
214.02617	0.3
219.04585	0.9
220.05240	1.2
221.06091	3.6
223.04021	0.8
223.07666	0.3
224.04807	0.6
225.05573	2.4
229.01425	0.6
231.04507	0.3
232.05235	0.8
233.06097	0.3
235.04042	0.6
236.04819	0.7
237.05545	1.5
239.07181	1.6
247.04033	1.5
248.04819	2.6
249.05588	8.3
250.02727	0.7
250.06413	0.5
251.03505	4.9
251.07172	0.4
252.04297	2.4
253.01463	0.3
253.05026	0.9
259.04056	0.2
260.04770	0.5
263.03458	0.6
264.04269	1.3
265.05078	7.6
266.05820	0.9
267.06650	3.5
269.08234	0.4
275.03531	1.4
276.04285	1.8
277.05081	11.5
278.02240	0.5
278.05658	0.5
279.03021	15.7
280.03772	4.4
291.02835	0.2
292.03796	1.1
293.04593	11.8
294.05316	0.6
295.06137	19.9
296.06296	0.2
303.02994	2.3
304.03815	0.4
313.07169	1.0
319.02472	0.5
321.04059	87.8
322.04440	1.2
331.08240	0.2
339.05109	21.2
340.05365	0.5
357.06033	0.3
475.10291	0.6
493.11411	2.2
519.09375	100.0
520.09698	1.9
521.10028	0.5
537.10400	3.4
546.91156	0.2
555.10889	0.3
587.14209	0.6
673.15796	0.5
717.14868	1.1
909.18475	0.3
938.30377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03469	0.5
89.49887	0.2
91.01886	0.2
91.05555	0.3
93.03479	0.5
95.04998	0.3
98.21891	0.5
99.00887	0.7
105.03471	1.3
107.05041	0.9
108.02175	1.8
109.02967	53.4
110.03332	0.4
115.05567	0.7
117.03471	0.8
119.05028	0.7
121.02943	2.2
122.03754	0.3
123.04546	6.3
129.03476	1.0
131.05023	0.7
133.02974	7.3
134.03773	3.9
135.04544	53.6
136.04865	1.0
139.04071	0.3
141.03470	0.7
145.02971	2.4
146.03723	0.3
147.04546	5.1
149.02438	0.6
151.04044	3.6
157.02985	3.4
158.03773	1.6
159.04532	13.6
161.02466	15.4
161.06039	0.4
162.03259	1.2
163.03983	0.7
173.02464	6.5
174.03140	0.6
175.04008	3.0
175.05453	0.3
177.01949	2.1
177.05641	2.1
179.03517	30.3
180.03813	0.5
182.69107	0.3
185.02460	39.1
185.06003	0.9
186.03246	6.1
191.03499	0.5
193.06494	0.3
197.04564	6.1
197.06137	0.5
203.03517	6.2
207.03024	0.4
211.03868	0.3
211.07658	0.5
213.09230	0.6
215.10600	0.3
221.04396	2.1
221.06204	0.6
222.06865	0.7
223.07681	2.3
224.04738	0.4
225.05537	0.8
225.09206	0.9
233.05908	0.3
239.07182	1.5
241.08739	3.4
243.10297	0.3
248.04837	0.3
249.05553	1.8
250.06433	0.7
251.07170	2.5
253.05031	1.5
260.04547	0.3
266.05853	0.6
267.06577	2.2
269.08215	3.8
270.08585	0.4
277.05051	2.6
278.05698	0.5
280.03806	0.8
285.07709	0.4
287.09293	0.6
293.04553	1.4
294.05176	0.4
295.06140	100.0
296.06485	1.9
297.06668	0.4
313.07211	13.3
314.07379	0.4
339.05148	0.3
357.06180	9.9
359.07758	6.2
383.07715	1.0
465.32437	0.3
493.11450	31.9
494.11755	0.9
537.10461	11.4
555.11224	1.3
709.70886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.236
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03484	0.5
89.03984	0.5
91.01870	0.3
93.03484	1.4
93.89834	0.3
95.05019	0.4
97.86234	0.3
99.00889	0.6
101.03969	0.3
105.03474	1.7
107.05038	1.6
108.02187	2.0
109.02962	54.1
110.03317	0.6
115.05568	0.5
117.03490	0.5
119.05023	0.6
121.02967	4.6
122.03764	0.6
123.04534	7.1
129.03477	0.8
131.05034	0.5
132.02167	0.6
133.02974	9.8
134.03770	4.0
135.04538	59.4
136.04837	0.8
137.02467	0.3
145.02971	2.7
146.03741	0.4
147.04529	5.3
149.02440	0.6
149.06046	0.6
151.04031	5.0
157.02962	3.3
158.03743	1.3
159.03197	0.6
159.04533	13.1
161.02463	17.6
161.06117	0.8
162.03224	1.0
163.04039	0.8
173.02449	8.7
174.03200	0.7
175.03990	3.0
177.01941	2.4
177.05521	2.0
179.03513	36.4
183.04352	0.3
185.02451	37.4
185.06032	1.2
186.03239	4.9
187.04018	0.5
189.01912	0.3
191.03506	0.6
197.04584	6.4
197.06288	0.3
203.03540	5.9
206.07596	0.3
209.06076	0.4
211.07594	0.9
213.09201	0.5
215.10739	0.8
217.71324	0.3
221.04340	2.2
221.06174	0.7
222.06895	0.6
223.07619	2.5
224.04803	0.6
225.05606	0.9
225.09177	1.1
226.06361	0.4
232.32948	0.3
233.05930	0.3
237.05502	0.6
238.06250	0.4
239.07146	2.3
241.08731	4.0
242.79732	0.3
246.36369	0.3
248.04749	0.8
249.05573	1.6
250.06334	0.6
251.07201	2.3
253.04953	1.4
265.05002	0.4
266.05804	0.7
267.06638	3.4
269.08252	5.1
270.08444	0.4
275.03366	0.3
276.04266	0.5
277.05109	3.0
278.05756	0.5
279.02902	0.5
280.03815	0.9
283.06036	0.4
285.07690	0.4
287.09296	0.5
293.04541	1.1
294.05209	0.6
295.06137	100.0
296.06497	1.3
313.07211	11.9
314.07602	0.4
331.08282	0.4
339.05023	0.6
357.06168	10.5
358.06357	0.5
359.07755	6.1
375.07016	0.4
383.07642	0.9
387.79950	0.4
493.11453	35.2
494.11960	0.8
511.12006	0.3
537.10480	17.1
538.10962	0.4
555.10864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.258
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	0.4
84.99333	0.8
87.00889	4.6
89.03977	0.6
90.43243	0.5
90.69588	0.3
98.22687	1.2
107.01402	1.8
108.02188	1.3
109.02971	0.9
111.00902	1.9
112.98823	13.7
117.03468	1.7
121.02962	1.5
123.04498	0.3
127.00413	1.0
130.99889	1.0
132.02156	2.8
132.33855	0.4
133.02927	1.2
134.03754	36.8
135.04576	1.9
136.01704	1.3
137.02437	1.1
139.00453	0.5
145.02954	0.4
146.03780	0.6
147.04547	1.6
148.01709	1.1
148.05305	0.9
149.06102	9.8
151.00383	8.0
151.04042	1.4
153.05637	0.8
154.99930	0.8
158.03751	1.4
159.04544	2.1
160.01680	12.3
160.03015	0.6
161.01115	0.6
161.02460	8.9
161.03723	0.6
162.03239	14.9
163.00383	1.1
163.04021	1.9
164.01181	0.5
173.02496	1.0
173.06136	0.5
174.03259	0.7
174.27522	0.3
175.04016	15.0
176.04799	3.6
177.05583	6.1
178.02733	5.2
178.99861	3.7
179.07202	0.4
185.02449	1.0
186.03203	1.1
189.01889	0.5
190.02733	10.1
190.99638	0.4
191.07175	4.5
193.05069	15.4
201.01996	0.6
201.05621	1.0
202.02742	4.8
203.03540	0.5
204.04266	1.5
205.05054	10.7
207.06573	0.4
210.17085	0.4
211.04018	0.4
215.03662	0.4
217.05063	0.6
218.02197	4.6
219.06598	2.3
226.02759	1.0
227.03471	1.8
229.79793	0.4
230.02235	4.8
233.04561	46.4
235.06165	2.0
243.02965	5.7
245.04543	5.4
248.03354	0.8
250.01263	0.5
254.02199	1.8
255.02997	15.0
263.05646	1.6
271.02502	34.5
272.02951	1.7
273.03693	0.8
283.02335	0.4
289.03561	3.6
299.02090	0.6
300.02771	66.1
301.03513	25.5
302.03796	1.9
307.04617	87.3
308.05090	0.8
325.05621	1.8
343.04495	0.6
501.10233	1.1
593.50684	0.4
609.14624	100.0
610.14917	6.7
611.15302	2.5
645.27893	0.4
711.94287	0.5
965.91705	0.4
1115.98145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05085	0.5
85.02943	1.2
89.02443	2.2
95.01395	0.4
101.02447	3.0
104.05083	0.5
106.06654	2.3
113.02451	1.8
119.03508	1.4
121.05360	0.5
122.06129	3.6
132.04544	1.3
133.03027	0.4
134.06139	11.5
135.98560	0.3
146.06093	0.3
148.04102	0.4
152.07188	1.1
158.02397	0.4
160.04082	0.5
160.06461	1.5
161.02460	1.0
166.48164	0.3
174.05582	1.0
184.61028	0.3
190.05188	1.5
190.06615	0.3
211.08659	0.3
213.10352	6.2
225.10378	0.8
226.11148	0.5
227.11897	0.4
235.08533	0.3
237.10278	0.6
239.11952	4.4
241.13498	3.5
249.10216	0.5
251.11929	1.3
263.08618	0.3
263.59161	0.3
265.09866	0.9
277.09958	0.9
278.10547	0.6
279.11407	0.8
282.73447	0.3
283.11002	0.4
285.12479	10.9
291.11313	0.4
293.09619	0.4
293.12979	1.0
295.10873	0.6
305.09348	1.3
307.10760	0.5
314.12466	1.0
316.14691	0.7
327.14676	0.3
328.10953	1.5
328.14307	0.4
330.12567	0.5
330.16208	0.4
332.17822	0.6
337.11832	1.4
340.10770	0.4
340.14548	1.1
342.12369	1.0
343.13272	1.6
344.14032	0.9
354.12662	0.7
355.13315	0.4
356.14005	2.2
356.17691	0.6
357.14813	1.1
358.15671	5.3
359.16464	0.4
368.10248	0.7
368.14240	0.7
369.10818	0.4
370.11685	1.5
370.15900	1.4
372.12976	0.4
372.17166	0.9
373.00687	0.4
382.15891	0.7
383.12772	0.6
384.13300	3.4
384.17462	1.1
385.14282	0.9
396.13470	1.0
397.14365	1.4
398.15039	2.7
399.16180	0.6
400.11533	0.4
400.16708	7.1
410.15128	0.7
412.16699	6.2
426.14563	1.6
438.14700	0.9
444.15778	2.0
456.15677	1.0
475.17453	0.7
477.22757	1.0
490.19623	0.4
491.20880	0.5
505.22580	1.3
519.23962	0.8
529.22705	0.4
545.21960	1.1
547.23792	0.5
549.21417	0.4
563.22955	1.4
573.21497	1.4
591.22607	1.7
681.29681	0.3
683.26709	0.6
686.29614	0.4
707.27661	0.5
725.28534	3.6
727.30096	4.0
735.26367	0.4
743.17798	0.5
743.29865	3.8
753.27789	1.9
759.33398	0.4
771.28918	100.0
772.29565	2.3
803.31549	75.3
804.31909	1.4
835.00787	0.4
985.60876	0.4
1074.67004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.0
57.03456	4.6
67.01896	0.4
68.99579	100.0
69.03474	0.4
69.59274	0.8
69.59673	0.6
69.99908	0.9
71.01390	0.7
72.00932	0.8
72.99297	1.7
73.96161	0.3
83.01403	0.8
84.02180	2.1
85.02964	15.1
95.01410	0.5
98.22657	0.6
108.06621	0.4
112.98617	3.1
113.02460	4.2
114.01942	0.5
114.05627	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	112.9883
Annotation	Acetylenedicarboxylate
Peak:m/z	Relative Intensity
55.01889	2.0
57.03456	4.6
67.01896	0.4
68.99579	100.0
69.03474	0.4
69.59274	0.8
69.59673	0.6
69.99908	0.9
71.01390	0.7
72.00932	0.8
72.99297	1.7
73.96161	0.3
83.01403	0.8
84.02180	2.1
85.02964	15.1
95.01410	0.5
98.22657	0.6
108.06621	0.4
112.98617	3.1
113.02460	4.2
114.01942	0.5
114.05627	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	112.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.0
57.03456	4.6
67.01896	0.4
68.99579	100.0
69.03474	0.4
69.59274	0.8
69.59673	0.6
69.99908	0.9
71.01390	0.7
72.00932	0.8
72.99297	1.7
73.96161	0.3
83.01403	0.8
84.02180	2.1
85.02964	15.1
95.01410	0.5
98.22657	0.6
108.06621	0.4
112.98617	3.1
113.02460	4.2
114.01942	0.5
114.05627	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	1127.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95744	16.3
91.20776	0.2
96.96019	100.0
104.27549	0.2
107.24916	0.2
108.02152	0.2
109.02963	5.5
111.11823	0.2
121.03008	0.4
123.04504	0.3
133.02948	0.6
134.03722	0.2
135.04549	1.8
145.02994	0.3
149.02512	0.3
149.86624	0.2
150.03333	0.2
157.02977	0.4
159.04521	0.6
160.01610	0.2
161.02473	1.4
173.02415	0.4
174.03197	0.2
175.04086	0.3
179.03525	1.0
184.01686	0.2
185.02451	5.3
186.03227	1.4
193.06657	0.3
197.04510	1.0
204.05811	0.2
209.06090	0.4
213.02039	0.2
219.04587	0.3
220.05382	0.2
221.06082	1.2
223.03969	0.3
225.05637	0.5
229.01279	0.2
231.84262	0.2
232.05215	0.3
237.05620	0.7
239.07153	0.5
247.04016	0.5
248.04863	0.8
249.05577	2.2
250.06308	0.3
251.03531	1.5
252.04292	0.7
264.04492	0.4
265.05115	2.0
266.05768	0.2
267.06638	1.8
275.03436	0.2
276.04318	0.2
277.05078	3.8
279.03006	4.8
280.03766	1.4
283.06070	0.4
293.04611	3.3
294.05075	0.4
295.06107	6.1
295.09409	0.4
303.03061	0.9
311.05646	1.9
313.07355	0.2
319.02722	0.2
321.04059	27.7
322.04489	0.6
329.06726	0.4
339.05118	10.0
359.07623	0.6
471.07135	0.5
473.08676	0.6
475.10049	0.2
491.09756	0.4
493.11386	0.7
509.10873	4.7
517.07629	0.3
518.08813	0.4
519.09363	32.3
520.09796	0.5
537.10516	0.6
651.11115	0.8
669.12927	0.8
717.14581	0.2
781.70349	0.2
805.18463	0.2
831.15747	9.1
849.18353	0.2
892.75659	0.2
946.57764	0.2
958.23016	0.2
1029.21411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1128.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02484	0.5
98.22639	1.5
101.02447	0.6
109.02942	0.4
110.06445	0.3
121.02947	1.1
122.03743	1.6
123.04500	1.0
128.58098	0.4
130.29558	0.4
133.02983	3.0
134.03767	3.8
135.04533	1.3
137.02472	2.1
146.03741	1.1
147.04480	0.6
150.03224	1.1
151.03972	2.1
152.22591	0.4
159.04567	0.9
160.05296	1.7
161.02454	1.5
161.06064	0.7
172.05305	2.6
173.06056	1.7
174.03264	1.3
174.06871	0.9
175.04044	1.4
175.07579	0.5
178.02724	4.2
179.03464	0.7
184.05269	0.4
185.06171	0.9
186.06854	1.1
187.04036	1.4
188.04810	0.6
190.06349	3.0
200.04828	1.2
201.05589	1.7
202.06407	3.0
211.13419	2.6
257.15497	0.5
259.13437	0.5
271.13406	2.2
273.15085	0.5
277.21762	2.6
281.15356	0.4
283.13428	12.1
285.15109	0.6
287.16449	1.1
289.14722	0.6
297.14926	1.7
299.12979	0.9
299.16382	0.9
301.14478	5.5
309.15030	2.9
311.12741	0.9
315.16043	7.5
317.13821	0.6
317.17569	0.5
320.09030	0.4
325.14627	1.0
327.16043	6.2
329.13879	0.6
333.16977	2.9
343.15518	1.1
345.17023	1.6
353.13855	0.9
355.69159	0.4
371.15277	0.5
389.15717	0.7
471.34558	0.8
472.35172	0.9
473.35541	0.9
537.23029	0.5
548.67029	0.5
643.26068	1.5
694.46985	0.5
738.70758	0.6
841.47052	1.6
867.45276	1.2
885.46948	0.9
903.47583	100.0
904.48059	4.2
919.27887	0.5
987.64221	0.5
1047.99976	0.5
1065.50476	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	1128.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
85.01051	0.6
122.03748	1.1
123.04541	0.7
133.03011	2.9
134.03757	2.4
135.04509	2.1
137.02454	1.4
150.03230	1.1
151.04053	2.0
159.04565	1.0
160.05269	1.1
161.02496	1.3
172.05304	2.4
173.06120	1.4
174.03374	0.6
175.04129	1.0
175.42055	0.6
178.01292	0.6
178.02725	3.4
179.03499	0.7
185.06134	0.9
186.06839	0.9
187.04163	1.1
190.06358	1.8
201.05632	1.2
202.06363	2.2
271.13394	1.7
277.21793	4.2
283.13412	9.3
297.15097	0.9
301.14606	3.3
309.15100	2.1
315.15988	6.2
317.17416	0.8
325.14465	0.8
327.16095	4.3
333.16849	0.9
345.17081	1.5
623.15906	0.7
841.47845	1.2
867.45880	1.3
885.46216	2.2
903.47589	100.0
904.48029	3.1
937.41821	0.7
1065.50562	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	113.0247
Annotation	19322-27-1
Peak:m/z	Relative Intensity
52.11282	0.8
55.01888	13.6
57.03453	32.3
59.86975	0.9
67.01879	2.5
68.99576	60.0
69.03453	1.9
69.61466	0.9
71.01389	3.0
71.02874	1.0
72.99313	2.3
83.01389	6.2
83.21481	0.9
84.02176	17.9
85.02959	100.0
86.03308	3.0
95.01390	2.3
100.38230	0.8
112.98703	1.9
113.02460	14.7
113.03625	1.0
114.05630	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	1131.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04229	0.2
83.01401	0.3
91.01925	0.2
93.03472	0.4
94.57237	0.2
98.16650	0.2
107.01402	1.9
108.02199	0.7
109.02972	1.7
117.03520	0.2
119.05049	0.2
121.02991	1.3
123.04547	1.5
124.01605	0.2
125.02491	0.3
132.02185	0.4
133.02225	0.1
133.02968	4.2
134.03720	0.5
135.00908	0.6
135.04543	8.4
136.04883	0.2
145.02997	0.2
147.04529	0.3
148.01700	1.2
151.00388	8.1
152.01108	0.2
157.82660	0.2
159.04539	0.4
160.01668	0.5
161.02460	17.8
162.03052	0.2
163.00397	1.6
164.01161	0.6
169.01422	0.6
169.21007	0.2
171.04623	0.2
172.05292	0.2
175.03966	0.2
178.98624	0.1
178.99890	4.5
179.03522	5.8
179.05122	0.3
180.03981	0.2
183.04626	0.3
185.02466	0.9
185.06078	0.2
187.03970	0.3
190.99931	0.3
192.00676	0.4
197.04564	6.2
198.03218	0.2
199.04030	0.5
201.05574	0.5
203.03558	0.4
211.04039	0.8
213.01872	0.2
215.03462	0.4
216.04243	0.4
226.02733	1.1
227.03503	2.4
228.04274	0.2
228.51248	0.2
229.05043	0.6
239.03467	0.4
240.04079	0.2
243.02997	7.5
244.03787	0.4
245.04568	1.1
254.02289	1.9
255.03006	22.0
256.03537	0.6
257.04486	0.2
271.02505	46.1
272.03094	1.8
273.04135	0.9
277.05151	0.2
279.06671	0.4
283.02539	1.0
295.06207	0.9
299.02078	1.0
300.02774	80.9
301.03543	30.1
301.26263	0.2
302.03751	0.5
313.03464	0.2
323.07709	2.9
341.08957	0.8
343.04581	0.6
359.07877	6.9
477.12363	0.3
521.13055	7.5
529.44135	0.2
609.14642	100.0
610.14874	1.9
611.14929	0.6
873.18170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.222
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03453	1.0
91.01911	0.9
108.02184	4.3
109.02962	73.6
117.03502	1.6
119.05109	0.8
121.02980	1.7
123.04537	2.0
133.02948	5.4
134.03734	4.8
135.04536	51.4
137.02444	2.8
141.03323	0.9
145.02982	3.1
147.04552	4.0
148.01630	1.1
149.02431	1.8
152.52907	0.8
157.02966	4.9
158.03745	1.8
159.04550	12.1
161.02452	4.6
165.73068	0.8
169.51074	0.8
173.02444	6.1
174.03258	1.5
175.04044	1.7
177.01884	1.8
179.03514	32.8
182.64644	0.9
185.02452	50.9
186.03221	11.4
186.57101	0.8
193.06532	2.3
196.05194	1.0
197.04529	2.2
203.03517	2.5
204.05759	0.9
207.02946	1.4
208.05312	1.4
209.06120	2.0
211.03989	1.1
211.07588	0.8
220.05226	1.3
221.06158	4.4
223.04028	1.5
223.07692	1.4
224.04852	2.8
225.05595	5.5
233.06096	1.0
236.04715	1.2
237.05569	1.5
239.07162	3.4
240.04402	1.1
241.05118	1.9
242.02136	1.2
243.02959	1.8
247.04082	1.2
248.04753	2.5
249.05605	9.7
250.06314	1.8
251.03503	5.1
251.07106	1.5
252.04341	4.7
253.05035	3.0
254.02307	2.0
263.03400	0.9
265.05023	5.3
266.05829	2.4
267.06616	8.6
268.03680	1.6
269.04562	2.4
269.08167	2.0
275.03500	1.0
276.04324	2.0
277.05081	17.2
278.05685	1.6
279.03009	12.5
280.03839	10.4
285.04016	1.3
293.04596	11.1
294.05261	1.7
295.06137	85.0
296.06525	1.2
301.07108	1.7
303.02997	0.9
311.05585	1.9
312.06421	1.1
313.03543	5.6
313.07199	4.2
314.04486	2.7
315.04648	1.0
321.04044	32.0
322.04510	1.9
339.05109	100.0
340.05688	4.0
343.08563	0.9
356.05850	1.1
357.06067	5.6
371.07736	6.1
381.06522	1.5
389.08774	3.3
433.07874	6.5
451.08810	1.2
459.10831	2.3
475.09756	0.9
477.11777	1.7
493.11575	13.3
503.09912	35.7
519.09369	19.6
537.10461	2.2
547.08295	1.0
551.11957	12.7
595.10883	5.4
596.72217	0.9
613.11823	2.1
711.13647	1.6
935.16254	1.2
950.36676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03955	0.4
90.59850	0.3
91.01898	0.6
91.05566	0.3
93.03484	0.7
105.03461	0.7
107.05040	1.3
108.02174	2.9
109.02961	67.0
110.03328	0.4
117.03475	0.9
119.05057	0.4
121.02965	1.2
123.04561	2.3
129.03479	1.1
132.02167	0.4
133.02972	5.7
134.03758	5.2
135.04538	63.8
137.02477	1.0
139.03961	0.4
141.03442	0.7
145.02983	2.6
147.00923	0.3
147.04530	4.5
149.02538	0.4
157.02957	6.0
158.03745	1.7
159.04523	13.4
159.53406	0.4
161.02437	4.5
163.04068	0.5
173.02466	6.0
174.03262	0.6
175.04033	3.8
177.01985	1.2
177.05521	0.4
178.02711	0.4
179.01848	0.7
179.03508	43.6
185.02451	55.3
186.03227	7.5
187.04015	0.7
193.05055	0.4
193.06625	0.7
197.04555	2.6
197.06113	0.7
198.03278	0.5
203.03525	5.5
203.05278	0.6
207.02989	0.6
208.05164	0.3
209.06122	0.8
211.03911	0.4
213.05577	0.6
214.02766	0.7
220.05324	0.5
221.06145	1.6
223.04103	0.8
224.04779	1.0
225.05617	1.4
227.03589	0.5
232.05365	0.5
236.04866	0.5
237.05490	1.2
239.07147	1.4
240.04277	0.6
241.05107	1.5
242.02287	1.0
243.02922	0.5
248.04854	0.9
248.84126	0.4
249.05617	2.9
250.06491	0.4
251.03502	1.7
251.07164	0.7
252.04341	1.0
253.05052	2.9
261.03958	0.7
263.03372	0.5
265.05014	1.8
266.05872	0.4
267.06686	2.8
268.03778	1.1
269.04657	2.3
269.08209	1.6
270.05219	0.5
276.04254	0.6
277.05060	5.6
278.05716	0.5
279.03073	3.5
280.03741	2.3
285.04016	0.7
285.07465	0.4
286.04874	0.5
293.04654	3.3
294.05466	0.9
295.06134	100.0
296.06519	1.3
301.03867	0.4
301.07239	1.4
311.05640	1.1
313.03571	2.5
313.07220	7.1
314.04245	0.4
321.04059	15.8
321.07932	0.8
322.04245	0.4
329.06793	0.5
331.04633	0.6
333.06296	0.4
339.05078	8.5
340.05817	1.8
341.06708	0.4
345.06143	0.4
356.05530	0.4
357.06100	4.2
371.07706	2.8
383.08072	0.6
387.07257	0.5
389.08685	1.7
415.06931	0.4
433.07672	1.7
493.11459	27.0
494.11786	0.6
503.09842	0.5
519.09399	21.3
537.10468	2.1
551.11987	17.5
581.09558	1.6
586.24683	0.4
595.10950	9.0
773.80664	0.5
1008.42847	0.5
1150.12085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0508
Annotation	Indole
Peak:m/z	Relative Intensity
55.18745	0.7
57.31331	0.6
60.86828	0.8
61.79247	0.8
70.08114	0.7
70.76106	0.6
71.05031	1.1
71.43881	0.7
73.02561	1.4
73.02952	16.2
74.02491	0.9
75.89851	0.8
89.01481	2.2
99.00890	1.1
99.92596	41.9
115.92102	2.8
116.02584	4.1
116.05080	99.8
116.92874	100.0
117.01976	2.6
117.05416	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	116.0719
Annotation	Betaine
Peak:m/z	Relative Intensity
58.03844	0.7
59.01382	7.2
70.58103	1.7
71.01376	3.5
73.02955	82.6
87.00889	1.3
89.01469	1.6
99.00883	7.2
99.92596	30.4
115.92094	8.8
116.02561	5.6
116.07190	100.0
116.92874	65.7
117.01964	10.3
117.07539	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	116.072
Annotation	Betaine
Peak:m/z	Relative Intensity
52.66980	0.5
59.01385	13.3
60.01708	0.7
60.48975	0.6
65.01466	0.7
65.39451	0.5
71.01408	2.8
71.05029	3.1
71.42752	0.6
73.02953	100.0
74.02464	0.6
76.34070	0.6
78.66616	0.5
87.00902	1.3
88.01261	0.8
89.01465	2.8
99.00897	8.5
99.92599	41.2
111.67201	0.5
115.92088	10.0
116.02574	9.5
116.07192	62.1
116.92873	88.7
117.01958	11.8
117.02725	0.5
117.03480	1.2
117.05605	1.5
117.07532	2.2
127.34827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02963	1.7
89.02452	3.0
89.03970	0.5
95.01376	0.5
95.05030	1.4
98.22638	1.3
100.20525	0.4
101.02459	3.3
101.80872	0.3
105.03471	5.3
106.06624	2.0
109.02968	2.9
113.02443	2.1
117.03429	0.4
119.03517	1.3
120.08180	2.3
121.02966	0.5
122.06141	5.0
123.04546	0.5
132.04568	0.8
133.02979	14.9
134.06139	11.6
135.04530	1.3
136.07715	0.7
150.05629	0.5
152.07227	2.2
158.02493	0.4
160.04012	0.5
161.02446	1.4
177.01939	7.2
190.05110	1.4
200.45802	0.4
216.15973	0.4
221.10901	0.6
223.08795	2.2
225.10304	0.7
235.08583	0.6
236.09557	0.6
237.10445	1.8
238.11339	0.4
239.11906	2.9
248.09634	0.4
249.06656	0.8
249.10423	1.3
250.11067	0.4
251.08249	1.3
251.11884	2.8
253.13420	0.8
263.08347	2.7
263.11911	1.3
264.06567	0.7
264.09048	5.3
264.12009	0.5
264.12790	0.4
265.09885	2.9
265.12863	0.5
267.06653	1.2
276.08972	1.1
277.09918	3.2
278.10645	1.3
279.11435	12.2
280.12097	1.4
281.12921	0.9
285.12485	0.6
290.10727	0.5
291.11447	4.5
292.09207	0.5
292.12088	1.8
293.12933	1.2
294.13718	0.9
295.10843	0.5
305.09393	1.4
306.10278	0.5
307.10864	1.9
314.12366	1.4
323.10263	2.0
324.11130	1.5
325.11819	0.6
326.12866	0.6
336.10928	0.6
337.12018	1.4
342.16428	0.6
358.15433	0.4
358.19543	0.5
360.17163	0.8
370.11575	0.6
370.15683	0.8
372.17084	0.5
384.17221	1.7
385.17899	0.7
386.14630	0.5
386.18781	1.2
398.14636	0.7
398.19186	0.7
399.19400	1.0
400.16415	0.8
401.21063	0.6
402.18195	1.0
412.16565	0.6
414.18304	0.6
418.21466	0.5
426.18726	1.8
427.18991	0.6
429.20786	0.4
430.17728	1.1
431.18198	0.4
440.16470	0.5
442.17407	0.6
443.18219	0.8
444.19305	2.7
445.14420	0.6
445.20105	1.3
459.18100	1.3
460.18887	1.2
462.20581	2.5
470.16821	0.6
471.17957	1.1
472.18961	2.8
473.19736	2.7
488.18399	1.0
489.18988	0.8
490.19852	7.1
518.19061	0.6
532.20685	0.8
536.20703	0.7
546.20538	0.5
547.23834	0.6
551.23096	0.5
565.24182	0.8
578.24341	0.5
593.23883	0.9
604.22577	0.5
605.24585	0.8
606.24860	2.1
610.24475	1.0
622.23914	0.5
623.24823	2.2
632.22632	0.4
633.23218	1.2
634.24139	0.7
650.23688	5.0
651.24255	6.9
682.26227	10.0
683.26953	0.6
725.26672	0.4
727.30212	0.9
729.32001	0.6
731.28955	0.7
745.30762	1.4
773.30499	82.9
774.30853	1.6
805.33124	100.0
806.33539	1.6
837.32703	0.5
887.30927	1.0
905.32361	1.1
931.30524	2.8
937.35229	1.3
949.31439	1.6
963.33221	5.0
981.34106	1.0
999.35529	1.2
1085.37207	0.5
1129.35974	10.4
1161.37793	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	1163.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02943	1.3
89.02449	3.0
95.01366	0.6
101.02442	3.9
106.06632	2.9
109.02924	0.7
113.02472	2.1
119.03514	1.5
120.08093	0.4
122.06135	3.0
123.04501	0.8
132.04584	1.1
132.08194	0.7
133.02975	2.8
134.06134	13.4
135.04562	3.7
138.75790	0.5
148.04059	0.4
152.07202	1.7
160.04074	1.0
160.06451	1.0
161.02469	6.2
161.04706	0.7
174.05591	1.0
179.03493	1.6
186.09167	0.4
190.05150	0.8
197.04660	1.1
213.10376	5.8
223.08788	1.1
227.11914	0.6
233.10867	0.6
235.08669	0.5
236.09541	0.6
237.10291	0.7
239.11891	4.8
241.13463	3.1
242.08241	0.5
249.10332	1.0
250.11285	0.4
251.11945	2.7
263.11874	1.0
265.09851	0.9
266.08167	0.5
267.11316	0.6
275.12000	0.9
276.09219	0.8
277.09851	3.2
278.10541	0.6
279.11441	1.1
285.12503	7.2
289.09818	0.7
290.10696	1.2
291.07846	0.5
291.11337	2.3
292.08594	0.4
293.12906	3.2
295.10800	0.7
303.07816	0.6
303.11356	0.5
305.09286	2.2
305.12750	0.8
307.11133	1.0
314.12552	0.9
314.30161	0.4
319.10941	4.7
321.12555	0.5
328.10837	1.4
328.14386	0.6
331.10876	1.5
337.12006	2.8
340.14673	0.9
341.12012	0.6
342.12463	1.3
343.13391	1.0
344.14041	0.9
354.12424	0.6
356.14050	1.7
357.14880	0.8
358.15634	4.7
359.07837	1.1
363.09872	0.5
368.10104	0.7
368.14014	1.1
369.14999	0.6
370.11737	1.1
370.15567	1.3
375.09717	0.4
381.10928	1.1
384.13519	2.6
384.17621	0.9
385.14325	0.7
396.13184	0.6
397.14426	0.9
398.14883	1.7
399.16101	0.5
400.16705	7.5
410.14813	1.2
412.16733	5.3
416.80557	0.5
426.14819	1.3
434.36078	0.4
438.18503	0.5
444.15582	2.3
456.15671	0.6
466.17834	1.2
477.22647	0.5
482.16406	0.5
484.18729	0.5
502.49240	0.6
505.22247	1.4
510.16766	0.6
517.18951	0.6
519.24249	0.7
545.22046	1.0
547.23547	0.6
563.22949	0.7
573.21448	1.2
591.22443	2.0
618.24097	0.9
636.25787	0.5
646.24213	2.3
662.23602	1.4
664.25458	0.9
680.24646	1.9
685.28394	0.6
686.30029	0.6
690.23102	4.1
708.23914	4.2
722.25702	14.2
725.28198	2.7
727.29669	4.5
740.26758	8.6
743.29370	4.7
753.27631	2.0
771.28955	58.5
772.29053	1.2
803.31580	100.0
804.31989	1.7
822.80737	0.5
844.29138	2.1
888.28430	20.5
907.35645	0.7
920.31085	16.5
921.31659	0.5
933.32428	2.5
965.35187	3.7
983.36139	3.3
1001.34430	0.5
1131.36914	1.5
1163.38867	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	1163.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02951	1.2
88.34108	0.4
89.02457	2.7
95.01397	0.4
98.22791	0.7
101.02444	3.2
103.74942	0.4
106.06630	2.6
106.21050	0.3
107.05022	0.4
109.02946	0.5
113.02454	1.6
116.61647	0.3
119.03484	0.5
122.06098	1.2
123.04524	1.3
131.03610	0.4
132.04541	1.3
132.08185	0.5
133.02971	1.5
134.03781	1.0
134.06139	10.4
135.04549	7.5
143.50308	0.4
152.07166	1.5
158.06082	0.6
160.04066	0.4
161.02501	2.5
174.05557	0.4
179.03500	1.8
184.07733	0.4
186.09209	0.6
197.04584	0.9
213.10364	1.0
223.12352	0.8
233.10664	0.4
236.09546	0.7
237.10417	0.8
239.11903	0.9
241.13242	0.5
242.08260	0.7
247.08792	0.5
249.10316	1.7
249.13977	0.5
250.11171	0.8
251.11880	3.7
261.10352	1.4
262.11243	0.5
263.08383	1.2
263.11908	1.4
265.09760	0.6
265.13498	0.9
273.10593	0.5
275.11960	1.7
276.09015	0.7
277.09824	4.7
277.13412	1.7
278.10394	0.5
279.11411	0.6
285.12326	0.5
287.11871	0.5
288.09094	0.4
289.09842	1.7
290.10583	2.7
291.08032	1.0
291.11423	2.9
293.09604	0.6
293.12894	3.1
296.11313	0.4
303.08112	0.7
303.11298	1.8
304.08746	0.5
305.09549	0.8
305.12967	3.6
314.12576	0.5
317.09424	0.5
318.10315	0.5
319.10916	6.7
327.04111	0.4
331.10779	2.5
335.10394	1.2
337.12036	3.6
349.12045	2.6
358.15741	0.8
363.09869	1.4
375.09735	0.9
381.10992	2.3
382.11475	0.5
392.13290	0.4
393.10941	1.8
398.18896	0.5
400.16412	0.8
412.16306	0.8
438.18289	1.1
440.20117	0.8
456.19348	1.0
466.17654	1.1
482.16995	0.9
484.18765	0.9
500.18369	1.7
510.16666	2.1
528.17944	2.4
615.09985	0.5
618.24243	1.8
636.25507	1.3
644.22552	0.8
646.24146	2.5
662.23596	4.4
664.25854	1.8
672.22156	0.7
680.24664	7.8
690.23047	10.3
708.24158	17.3
722.25708	12.9
723.26257	0.5
725.28595	0.6
733.30847	0.6
740.26678	4.2
753.27783	0.6
771.28900	11.5
772.30054	0.6
803.31482	8.2
844.29810	1.3
846.02881	0.4
878.30383	0.5
888.28406	100.0
889.28894	2.0
920.31061	19.9
920.49530	0.9
921.31641	0.4
933.32159	0.6
965.34277	0.7
969.35291	0.8
983.36749	0.6
1001.36639	1.5
1131.37744	1.9
1163.40479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.7107
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	0.2
85.02955	0.6
87.00889	0.6
87.04512	0.1
89.02446	1.6
95.01416	0.2
97.02948	0.5
99.00928	0.1
101.02454	2.2
101.03101	0.1
111.04497	0.1
113.02455	1.1
119.03519	0.7
125.02461	1.1
135.04509	0.1
139.03983	0.1
143.03532	0.4
161.04559	0.6
179.05670	0.5
221.06731	0.2
232.46286	0.1
235.08217	1.4
253.09453	0.2
263.07806	0.2
277.09332	0.1
277.21747	7.6
278.22006	0.2
287.07819	0.6
305.08795	0.8
323.09860	0.1
338.36813	0.1
369.54492	0.1
377.28217	0.1
379.29910	0.2
393.31860	0.2
397.13522	23.5
398.13977	0.4
407.29462	0.1
409.31110	0.3
415.14575	6.7
421.31213	0.4
441.33942	0.2
468.31744	0.1
469.33157	0.1
485.32675	0.6
486.33157	0.7
487.34311	100.0
488.34619	1.1
675.35992	5.8
676.36731	0.2
1163.70349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	0.4
91.01888	0.3
107.01465	0.3
108.02200	1.2
109.02969	22.1
112.04565	0.2
115.05547	0.3
121.02926	0.3
123.04551	1.5
134.03757	0.6
135.04550	5.2
137.02539	0.3
141.03477	0.4
145.02988	0.6
147.04549	1.0
149.02486	0.6
157.02972	1.4
158.03792	0.6
159.04520	2.1
160.01695	0.4
161.02477	0.7
165.07089	0.2
173.02448	1.9
174.03236	0.4
175.03993	1.1
179.03558	2.0
184.01685	0.5
185.02458	19.5
186.03267	3.9
187.03882	0.4
187.41371	0.2
193.06636	1.7
195.04553	0.6
195.08121	0.3
197.04582	1.5
197.06136	0.4
200.01115	0.3
201.01973	0.5
201.17055	0.2
202.91084	0.2
203.03537	0.4
204.05852	0.5
205.06618	0.3
207.04460	0.3
208.05336	0.5
209.06178	1.4
211.07701	0.3
213.01857	0.3
213.05586	0.4
214.02887	0.2
219.04630	0.8
220.05247	1.3
221.06120	3.8
222.03268	0.3
223.04074	0.9
223.07724	0.3
224.04819	0.7
225.05603	2.1
229.01483	0.5
231.04497	0.6
232.05310	1.2
233.05975	0.4
235.04045	0.8
236.04784	0.7
237.05614	1.6
238.06161	0.3
239.07199	1.3
247.04001	1.4
248.04825	3.2
249.05592	8.7
250.02719	0.7
250.06351	0.5
251.03513	5.4
251.07280	0.6
252.04276	2.2
253.04950	0.6
259.04077	0.3
260.04712	0.4
263.03436	0.6
264.04178	1.4
265.05087	8.0
266.05753	0.9
267.06650	4.1
269.08069	0.2
275.03424	1.4
276.04297	2.1
277.05072	12.8
278.02466	0.3
278.05734	0.7
279.03030	17.7
280.03784	5.8
292.03809	0.9
293.04596	12.4
294.05301	0.5
295.06165	21.2
296.06418	0.4
303.03061	2.1
304.03741	0.6
319.02646	0.5
321.04065	84.4
322.04459	1.2
339.05118	20.8
340.05261	0.4
394.08463	0.3
473.08896	0.5
474.09262	0.4
475.10400	0.5
493.11218	1.7
519.09399	100.0
520.09711	1.0
537.10535	3.0
716.13770	0.3
717.15027	2.1
802.94122	0.3
1150.00281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01884	0.6
56.79495	0.3
57.29233	0.2
59.01383	1.2
59.46959	0.3
68.23740	0.3
68.78103	0.3
69.93903	0.3
73.02955	100.0
74.02488	0.8
74.03282	2.9
74.74162	0.3
84.52843	0.2
99.00897	8.6
99.01552	0.6
100.01258	0.4
116.92924	0.4
117.01954	11.4
118.02244	0.4
131.66148	0.3
132.78651	0.3
135.39793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43674	1.0
56.60938	1.0
59.01384	100.0
60.01697	1.6
63.42853	0.9
70.93964	1.5
71.05020	1.5
71.11954	1.0
73.02953	23.8
76.87277	0.9
82.00703	1.0
91.81458	1.0
99.00926	1.3
99.92593	38.3
100.92590	3.5
116.92874	91.6
117.01893	1.5
117.05591	11.5
117.92889	9.1
118.03004	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	1171.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
105.03450	0.5
107.05133	0.5
109.02976	2.1
113.97996	0.4
123.04528	7.3
127.90227	0.4
130.93286	0.4
132.02174	2.1
133.02969	26.4
134.03746	1.0
135.04536	18.3
159.04277	0.4
161.02458	100.0
179.03516	16.2
179.05130	0.8
185.02498	1.1
186.02872	0.5
197.04562	22.3
211.98030	0.5
265.05081	0.5
266.05557	0.5
267.06644	0.5
271.02393	0.7
277.05106	0.5
279.03040	0.9
280.03671	0.6
293.04724	0.9
295.05997	0.6
300.02731	0.9
321.04144	2.9
322.04483	2.3
339.04987	1.1
359.07745	85.6
360.08093	0.7
505.10016	1.0
519.09503	3.2
520.09686	3.2
521.09900	1.6
719.16150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
54.89545	0.5
65.04048	0.6
69.30754	3.2
69.31052	0.6
86.14108	0.5
91.05508	1.4
93.03468	5.1
98.21892	1.1
98.45544	0.5
112.09849	0.5
117.03501	0.8
119.05041	100.0
120.05388	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	119.0504
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.65207	0.7
55.66909	0.6
59.01381	1.5
61.50384	0.6
63.96204	0.6
65.01461	0.6
69.37569	1.5
69.37952	1.4
91.03025	0.6
91.05541	1.5
93.03481	5.6
101.92437	1.9
117.03481	0.7
118.92668	5.2
118.94109	0.8
118.96523	1.4
119.02592	5.3
119.05038	100.0
120.04597	1.2
120.05358	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.44711	0.7
59.01383	2.0
59.77622	0.7
62.43161	0.6
66.21765	0.7
69.63065	0.6
70.02953	0.7
72.97241	0.8
75.48380	0.7
80.78772	0.6
91.05531	1.2
93.03460	4.4
101.92433	2.8
101.93054	0.9
102.02914	0.8
117.03481	0.8
118.92654	9.2
118.96523	1.9
119.02578	5.4
119.05038	100.0
120.02015	0.7
120.05370	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	119.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21486	0.7
57.50959	0.6
59.01392	1.3
63.11170	0.6
63.93626	0.7
69.36846	3.3
70.02966	0.9
83.13731	0.7
91.05540	1.9
93.03480	4.2
98.22649	1.4
101.92402	2.2
118.92680	5.1
118.93394	0.8
118.96566	1.2
119.02601	3.9
119.05042	100.0
120.05357	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	123.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02236	0.6
66.03493	8.6
67.03019	100.0
68.02757	0.4
68.03352	2.7
68.99824	0.4
71.42818	0.3
78.03500	1.3
78.39166	0.3
80.05061	0.4
82.01741	1.2
82.03004	0.4
93.03473	0.3
93.61498	0.4
94.01737	0.6
94.02995	19.2
95.01402	5.6
95.02541	0.4
95.03327	1.4
95.05037	0.6
96.04559	4.6
100.46432	0.3
101.28912	0.3
104.29606	0.3
106.02995	0.6
108.02190	0.9
109.01748	0.5
122.02485	0.7
122.03761	1.2
123.00918	4.0
123.02023	7.9
123.02847	0.9
123.04539	6.1
123.05564	0.5
124.01670	1.0
124.04054	12.3
129.73596	0.3
137.51640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0455
Annotation	Orcinol
Peak:m/z	Relative Intensity
55.01872	2.0
66.03152	1.2
66.03493	17.4
67.01891	2.0
67.03021	18.4
67.03835	0.7
68.99834	1.8
76.87971	0.6
77.62924	0.6
78.03500	2.4
79.05542	1.8
80.02692	1.6
81.03465	2.0
82.03024	1.1
92.87830	0.8
93.03481	2.9
94.02995	37.7
95.01398	18.3
95.03351	2.5
95.05025	5.9
96.01784	1.0
96.04568	9.0
105.03473	1.6
106.02965	0.9
108.02180	10.0
121.02960	1.3
121.35215	0.8
122.02502	0.7
122.02853	1.0
122.03760	16.3
123.00913	10.5
123.04546	100.0
124.01679	2.5
124.04061	20.0
124.04894	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	124.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
66.03493	50.1
67.03831	1.7
68.39437	1.0
69.03447	5.2
76.24750	1.2
78.03478	6.7
80.05087	1.3
82.03003	3.4
83.01379	1.5
89.44851	1.0
94.02998	100.0
95.01399	6.1
95.03340	4.8
96.01753	3.4
96.04568	21.7
97.02969	6.2
106.03007	2.7
109.01706	3.2
122.02489	3.6
123.00001	2.0
123.00903	40.9
124.01702	58.9
124.04067	59.0
124.04868	2.6
125.02482	17.7
125.04432	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	124.0168
Annotation	D-(1-Aminoethyl)phosphonate
Peak:m/z	Relative Intensity
64.94791	1.7
66.03493	44.7
69.03468	6.0
78.03502	6.6
94.02999	100.0
94.03611	4.8
95.01411	7.9
95.03351	6.0
95.12850	1.8
96.01749	5.1
96.04568	22.0
97.02975	4.0
109.01697	2.9
122.02529	4.8
123.00906	72.5
124.01696	89.8
124.04060	60.3
124.04970	2.3
125.02554	13.5
125.03410	2.6
125.04444	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	125.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28416	0.8
54.54868	0.6
61.80445	0.7
68.16582	0.8
69.03458	1.7
70.76006	0.7
71.43063	0.7
81.03467	66.5
82.03812	2.4
84.67855	0.7
87.60412	0.7
95.03339	1.2
97.02977	2.3
114.08181	0.7
125.02463	100.0
126.02798	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	128.072
Annotation	L-beta-Homoproline
Peak:m/z	Relative Intensity
54.46994	0.4
55.01881	1.4
57.03450	4.0
57.95101	0.3
61.06926	0.3
62.15655	0.4
62.24346	0.4
67.01900	9.1
68.99819	2.0
70.15524	0.4
70.24592	0.9
71.01394	0.8
73.02956	0.5
73.72758	0.3
80.05038	0.5
82.06633	0.4
82.77704	0.4
83.01394	0.8
85.02970	0.5
85.04092	1.1
90.98837	0.4
98.22509	0.4
101.02487	0.4
103.79587	0.4
103.87167	0.4
128.07190	100.0
129.01958	1.2
129.04198	1.3
129.07539	5.8
146.29662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01873	13.4
57.03440	39.3
67.01898	100.0
68.02239	6.7
68.99814	11.5
69.48463	15.1
69.48873	13.9
70.81436	5.9
71.01395	8.4
72.99319	8.7
73.02940	13.1
81.57155	6.0
83.01390	10.4
85.02942	25.2
85.04086	15.3
86.03957	5.7
86.06116	7.1
87.00873	8.7
88.04053	8.4
96.21136	5.8
101.02486	6.4
101.40536	6.1
111.00902	6.5
128.90186	15.1
129.01988	31.5
129.04167	19.2
130.08733	15.0
132.63274	6.5
137.31554	5.6
148.37621	5.4
149.81059	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	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	14.9
57.03458	34.6
65.99288	3.5
67.01897	100.0
68.99834	21.9
70.74902	4.7
71.01389	9.7
72.99316	11.9
73.02956	8.3
83.01411	6.4
85.02969	8.0
85.04087	13.1
85.09656	3.4
87.00902	9.5
88.04056	8.8
88.60806	3.5
99.00891	6.8
106.39753	3.3
111.00896	6.2
129.01967	19.9
129.04233	19.9
129.07520	25.2
130.08752	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0197
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01875	17.5
57.03453	34.2
57.41461	2.7
67.01896	100.0
67.70090	3.2
68.99837	15.4
70.73300	6.8
71.01367	8.9
72.99323	6.7
73.02949	4.8
83.01388	5.1
85.02972	7.4
85.04079	46.6
87.00871	7.4
87.68864	3.3
88.04054	4.6
102.21513	3.6
126.26242	3.0
129.02013	14.9
129.03294	6.0
129.04201	58.7
130.08765	17.1
131.85518	2.8
143.84857	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	129.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92017	1.0
54.35381	0.9
55.01860	1.0
56.93061	0.8
57.03448	1.7
59.01362	0.9
61.00430	1.6
67.01881	2.6
68.99832	1.3
69.02342	6.5
72.31647	0.7
73.02931	0.9
82.04111	1.4
83.04902	6.8
85.02977	3.2
85.04084	79.5
86.04390	1.5
86.06131	1.0
88.04070	2.2
102.62654	1.0
111.00879	0.9
128.90173	1.8
129.04207	100.0
130.04570	1.5
130.08762	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.056
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
50.38756	12.4
55.01880	23.2
57.03445	19.5
59.01363	15.3
68.99821	12.1
69.72336	9.9
70.58585	25.2
71.01389	12.6
73.02952	16.5
76.47601	10.7
83.04995	12.3
85.02953	55.0
86.06153	20.6
88.04051	39.2
99.00819	11.0
112.04092	19.2
128.90187	100.0
129.01976	36.5
129.04105	16.8
129.05589	42.3
129.09229	18.3
130.08765	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0876
Annotation	Isoleucine
Peak:m/z	Relative Intensity
51.18221	0.6
51.55790	0.6
57.03442	1.1
64.00158	0.6
65.57234	0.6
69.91583	2.0
73.02917	0.7
73.96667	0.7
74.02517	0.7
84.08198	0.9
85.02964	2.1
87.04534	2.0
94.01206	0.6
121.86407	0.6
126.41174	0.6
130.04538	1.1
130.08757	100.0
131.03473	1.0
131.09093	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	133.0144
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
57.75610	1.1
59.01410	1.4
64.09667	1.2
66.59795	1.2
70.47507	2.7
71.01389	80.7
71.67006	1.2
72.01741	2.0
72.99317	16.4
76.41402	1.2
87.53142	1.2
89.02451	7.1
102.67771	1.2
115.00388	100.0
116.00724	3.5
133.01447	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	133.0298
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.85861	1.6
54.66356	1.4
56.30912	1.4
59.09807	1.4
65.00324	4.0
69.16411	10.4
77.03976	36.1
78.04327	3.2
86.33300	1.5
89.03986	9.8
89.21394	1.4
91.74603	1.6
95.05041	47.7
96.05392	3.1
104.02695	2.9
105.03473	99.3
106.03821	7.6
111.96233	1.5
123.04537	7.0
125.79423	1.5
132.02202	20.8
132.74867	2.0
133.02980	100.0
134.03328	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	133.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41235	1.4
64.18653	1.4
65.00321	4.7
68.37019	1.3
71.01382	5.5
71.24803	1.5
76.71446	1.6
77.03973	37.2
78.04295	2.1
84.39652	1.6
89.03986	7.8
92.61404	1.6
93.03485	1.7
95.05038	41.3
96.05384	3.1
105.03467	81.2
106.03802	5.1
107.03671	2.2
115.00394	3.7
121.03002	1.8
123.04535	6.6
132.02199	19.1
133.02969	100.0
134.03336	4.8
134.04745	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	133.0298
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.60574	0.9
66.68204	0.9
71.01379	1.7
77.03987	2.2
89.04015	1.2
95.05042	2.2
98.22701	2.9
104.02698	2.9
105.03494	6.4
112.86079	0.9
115.00404	1.3
115.01899	3.2
132.02188	24.9
132.86794	5.3
132.90059	3.0
133.02977	100.0
134.03314	7.6
154.71437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0297
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
69.80609	1.0
69.80975	1.3
71.76636	0.5
77.03973	3.0
89.03975	2.0
95.05061	1.6
104.02700	2.4
105.03478	7.4
115.01926	2.4
125.04369	0.6
132.02187	22.0
133.02974	100.0
134.03307	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	133.0509
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
57.03456	5.8
59.01379	3.4
61.40627	0.6
63.86849	0.7
69.03462	0.9
69.31120	3.1
71.01389	100.0
72.01727	2.7
72.99289	3.3
75.00877	1.0
76.02719	0.6
82.55014	0.7
87.00890	25.6
87.04518	11.4
88.01213	1.0
89.02452	20.8
98.21838	1.2
106.99030	0.7
107.03658	1.9
115.00385	9.3
126.97163	0.7
133.01422	1.9
133.05086	46.0
134.04652	6.9
134.05582	1.4
141.41106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Adenine
Peak:m/z	Relative Intensity
51.08321	0.2
52.05223	0.2
61.56201	0.2
65.01452	0.9
65.94572	0.2
68.02534	0.7
68.36120	0.2
69.53488	0.5
69.53868	0.5
80.02548	0.7
85.93272	0.2
92.02555	10.0
93.02892	0.3
100.22713	0.3
101.88275	0.3
105.61645	0.3
107.03645	38.0
107.55806	0.2
108.03326	0.4
108.03983	1.4
122.84392	0.3
134.04739	100.0
135.04352	1.4
135.05078	3.4
146.79706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0454
Annotation	3,4-Dihydroxystyrene
Peak:m/z	Relative Intensity
57.70745	0.6
62.13663	0.6
69.32833	3.1
69.33120	0.6
71.56042	0.6
89.03983	1.1
90.47467	0.5
91.05546	1.4
98.21949	1.0
99.92616	1.7
106.04285	0.8
107.05048	3.6
117.03470	2.1
134.03763	19.5
134.86548	1.6
134.89499	35.8
135.04547	100.0
135.89499	2.3
136.04906	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	135.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58290	0.4
60.86485	0.5
69.17128	1.0
69.17522	2.1
75.49009	0.4
83.60676	0.4
87.60899	0.4
89.03981	2.2
89.84196	0.5
90.80161	0.4
91.05534	1.3
106.04286	1.1
107.05058	5.0
108.02213	0.5
108.05363	0.5
117.03493	1.6
125.04383	0.5
127.60216	0.4
132.68318	0.4
134.03770	21.7
134.86513	0.6
134.89528	1.9
135.04549	100.0
136.04865	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	135.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14775	0.5
57.15517	0.5
63.02385	0.5
76.83405	0.7
89.03983	1.9
91.05512	1.3
98.28521	0.5
106.04272	1.1
107.05051	4.4
108.02168	1.1
117.03483	1.8
134.03763	18.2
135.04544	100.0
136.04851	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	135.0454
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
69.54588	1.6
69.54966	1.2
89.03962	1.3
91.05546	1.1
98.09464	0.6
106.04234	1.2
106.53626	0.8
107.05035	4.9
110.35162	0.7
113.87990	0.6
117.03483	1.8
134.03760	17.9
134.89505	2.0
135.04539	100.0
136.04849	7.5
148.16063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57246	0.7
52.32644	0.6
54.12915	0.8
58.13506	0.6
60.81136	0.7
61.73106	0.7
66.80021	0.6
69.31648	3.4
71.63287	0.6
89.03986	2.0
89.32264	0.7
91.05564	1.3
106.04242	0.7
107.05046	3.8
117.03460	1.5
134.02727	0.9
134.03761	21.1
134.89493	2.0
135.04543	100.0
136.04865	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	135.0454
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.19354	0.6
55.57622	0.5
60.55683	0.6
69.49297	2.7
85.76293	0.6
88.38082	0.5
89.03986	2.3
91.05553	1.3
93.03452	0.6
107.05054	5.2
108.05416	0.7
117.03478	2.4
134.03755	25.0
134.89493	5.6
135.04543	100.0
136.04869	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	135.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24605	0.5
59.01387	0.9
68.58998	0.5
69.71021	1.5
69.71346	0.5
89.03986	1.5
91.05544	1.3
93.03477	3.5
96.23885	0.4
106.04243	1.1
107.05043	5.0
108.02164	0.8
117.03478	1.7
134.03758	21.4
134.89491	3.2
135.04538	100.0
136.04865	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	135.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09040	0.5
57.11368	0.5
60.22956	0.5
63.73449	0.5
63.74974	0.4
65.84196	0.5
66.57096	0.5
69.80900	1.7
87.97480	0.5
89.03972	1.1
91.05561	1.0
98.21983	1.0
106.04256	0.7
107.05041	4.7
108.02174	0.9
117.03477	1.8
134.02721	1.0
134.03761	20.4
135.04543	100.0
136.04875	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	135.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47470	0.5
53.98315	0.4
60.56309	0.5
65.20026	0.4
75.00874	1.0
89.03989	1.3
91.05514	0.9
92.02690	5.3
93.03468	15.1
94.03780	0.8
95.01398	1.4
99.92615	0.5
106.04287	1.0
107.05041	3.8
108.02187	9.4
117.03481	1.5
120.02187	2.7
134.03752	16.4
134.89494	8.0
135.04539	100.0
136.01648	4.3
136.04860	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	135.0454
Annotation	3,4-Dihydroxystyrene
Peak:m/z	Relative Intensity
62.47055	0.4
79.05564	0.6
89.03986	1.9
90.90011	0.5
91.05574	0.8
96.95358	0.4
99.92573	0.9
106.04251	1.0
107.05058	5.3
108.02218	0.7
117.03475	1.9
134.03760	22.9
134.86623	0.8
134.89487	7.6
135.04546	100.0
136.04874	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	137.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02852	0.3
56.67476	0.2
57.73569	0.2
58.06166	0.3
60.35299	0.3
65.03963	0.8
67.64977	0.2
70.48727	0.3
70.49046	0.3
81.03469	3.5
91.01900	1.0
92.02703	0.5
93.03459	3.2
108.02178	6.7
108.66044	0.3
109.02971	4.0
119.01382	1.7
136.01675	13.2
136.89224	0.6
137.02455	100.0
138.02800	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	137.0246
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.65693	0.2
55.60817	0.3
60.51010	0.2
63.46103	0.2
65.03973	0.7
69.56366	1.2
73.60963	0.2
77.12603	0.2
81.03461	3.4
91.01903	1.1
92.02704	0.5
93.03477	1.8
98.21863	0.5
108.02183	6.5
109.02981	4.1
110.03282	0.2
115.16463	0.3
119.01402	1.4
131.87437	0.3
136.01677	11.5
136.89191	0.4
137.02461	100.0
138.02800	6.9
149.93059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0404
Annotation	Epoformin
Peak:m/z	Relative Intensity
55.01875	6.8
66.09254	3.1
67.01882	10.0
68.01408	3.7
68.99803	6.0
70.72677	4.3
79.95734	6.3
83.01395	8.4
93.03468	65.0
94.98090	9.9
96.04570	3.2
98.02493	3.5
99.94826	3.3
101.04973	2.8
109.02509	3.6
111.00903	26.6
121.02975	47.2
139.00471	15.9
139.02321	4.8
139.03049	5.5
139.04021	100.0
139.04987	3.6
140.03506	11.1
140.04443	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	29.0
55.01883	3.4
59.01381	17.0
68.99828	7.1
71.01018	4.0
71.01387	49.4
72.99309	1.9
79.99010	1.8
80.99826	8.4
83.01402	4.8
85.02956	5.3
87.00887	14.8
96.99318	35.6
98.02506	5.7
101.71970	1.8
112.04066	2.6
112.98833	36.6
113.99155	3.2
114.05640	8.9
115.00381	7.4
124.04079	2.9
124.98817	86.6
125.99167	4.9
140.98326	13.1
142.05133	3.1
142.99881	100.0
143.10779	3.7
144.00165	3.3
144.04456	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	142.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84966	1.5
53.00317	20.8
54.95473	1.8
55.01878	1.9
55.41125	1.5
56.08936	1.7
59.01383	23.6
68.99817	5.9
69.03459	3.7
70.12524	1.6
70.32813	3.8
71.01389	66.3
72.99317	5.3
73.02947	1.9
80.99817	9.5
81.03465	4.1
83.01395	4.1
85.02973	10.7
87.00878	20.4
90.09870	1.7
96.99324	32.2
97.02968	5.3
99.04549	3.2
101.02462	2.8
112.98827	35.0
113.02478	1.7
115.00368	8.5
124.98826	91.6
125.02454	4.9
125.99164	4.6
140.98308	11.2
142.99889	100.0
143.02495	3.5
143.03595	8.2
143.10799	4.0
144.00237	5.7
144.04608	4.2
157.59145	1.9
164.86069	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76701	1.3
57.03452	9.5
58.02971	5.7
59.87484	1.4
67.02998	3.1
70.03017	1.5
71.01396	1.9
73.02956	6.0
74.02483	9.7
82.02998	5.1
84.04559	16.2
86.02469	2.5
98.02477	2.1
101.02455	27.7
101.07200	6.4
102.02780	1.4
102.05619	100.0
109.04079	13.3
125.03578	3.2
127.05155	28.9
128.03555	45.4
128.05518	1.9
145.01471	2.4
145.06195	13.8
146.04616	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	145.0295
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.57313	0.4
69.56245	1.6
69.90098	0.4
83.05033	0.4
89.03990	1.3
101.06105	0.7
102.05575	0.5
107.85627	0.4
117.03479	100.0
118.03809	6.8
144.96518	0.6
145.02969	35.9
145.04903	1.4
146.02341	2.8
146.03549	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	145.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09103	0.4
69.36267	1.0
69.36670	1.6
81.80401	0.4
82.02802	0.4
82.63623	0.4
89.03981	1.4
98.21789	0.4
99.08146	0.6
101.06136	0.5
104.94528	0.4
117.03481	100.0
117.20735	0.5
118.03020	0.7
118.03801	6.9
137.85320	0.4
145.02968	37.8
146.02313	3.2
146.03528	2.4
151.25746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0297
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
64.54389	0.4
69.15166	1.8
86.11221	0.3
89.03987	1.3
99.08170	2.7
116.02694	0.3
117.03483	100.0
118.03819	6.6
145.02972	34.8
145.08727	0.8
146.02339	0.4
146.03387	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	145.0297
Annotation	Norviburtinal
Peak:m/z	Relative Intensity
61.65588	0.2
71.20689	0.2
74.41750	0.2
83.05019	0.3
89.03978	1.4
89.25087	0.2
94.31362	0.2
98.21812	0.5
117.03480	100.0
118.03817	6.7
140.43369	0.2
145.02968	35.2
146.02435	1.1
146.03427	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	145.0297
Annotation	Norviburtinal
Peak:m/z	Relative Intensity
56.48505	0.3
69.41221	1.9
83.05003	0.5
89.03972	1.6
99.60594	0.4
101.06134	0.4
109.94573	0.4
117.03477	100.0
118.02980	1.5
118.03818	7.4
120.04226	0.4
144.96524	0.7
145.02968	37.3
145.07724	2.7
146.02350	3.7
146.03546	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.062
Annotation	glutamide
Peak:m/z	Relative Intensity
58.02985	18.8
67.03017	7.1
69.43795	6.7
69.44206	5.2
70.02999	2.9
70.30946	2.0
71.01418	2.4
71.02548	2.4
72.00911	6.7
74.02477	39.8
75.39861	2.0
82.03008	11.7
84.04555	51.8
85.04907	2.1
86.02481	8.4
97.04060	3.4
97.38444	2.5
99.05659	8.1
101.02461	3.6
101.07226	16.5
102.05619	84.9
107.02494	2.1
109.04088	58.2
123.28076	2.3
125.03615	11.4
127.05148	100.0
128.02592	4.0
128.03551	72.3
128.05513	8.3
129.03850	2.6
137.35706	2.2
145.06198	45.5
145.07292	3.9
146.04628	10.6
154.25308	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0872
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
69.48077	2.7
73.71679	0.6
83.05035	0.7
83.30099	0.5
97.06607	2.4
98.22601	1.0
99.08170	100.0
100.08500	6.2
117.03502	2.1
127.07639	0.6
143.07166	0.9
145.02982	1.7
145.08725	34.6
146.02531	2.9
146.09048	2.4
158.12827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0873
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
54.33767	2.8
55.26057	2.4
70.89944	4.9
72.90982	3.5
76.54230	3.3
78.41586	3.3
83.01385	4.4
83.05014	5.3
97.06577	7.4
99.08167	100.0
101.06075	4.5
102.05642	5.4
117.03459	22.0
118.02986	7.9
120.92751	3.2
127.07599	3.2
143.07101	3.5
145.02934	18.7
145.04010	6.5
145.05017	5.7
145.08722	81.2
146.02490	47.2
146.09036	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	146.0461
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
58.80621	0.6
59.01370	3.1
71.01383	2.1
71.38455	0.8
74.02473	1.0
79.90107	0.8
85.02943	1.6
99.00907	1.4
101.02469	1.1
101.44363	0.7
102.05616	100.0
103.05949	3.2
108.26384	0.7
112.25275	0.9
128.03551	34.1
129.03902	1.8
142.83264	0.7
146.04616	10.9
146.86700	8.8
161.72914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.9
61.98833	100.0
64.07621	5.0
67.77700	4.7
70.58508	8.4
71.01402	12.5
75.00910	7.8
92.05082	5.9
92.45259	4.9
92.96010	15.2
119.05087	6.9
120.04569	12.3
121.33907	5.3
147.02000	24.6
147.02985	11.0
147.04532	22.8
147.05585	6.1
148.04062	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	147.0666
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
50.65281	1.5
57.03452	28.4
59.01382	11.2
61.00433	10.1
68.90234	1.5
69.15705	2.4
69.16107	6.7
71.01397	10.8
71.05027	11.0
71.45533	1.3
72.59379	1.4
72.99319	1.5
73.02940	8.4
75.00880	3.4
83.02523	3.3
83.05011	2.6
85.02959	100.0
85.04062	2.8
85.06596	1.6
86.03299	4.3
87.00892	3.5
99.00891	3.1
101.02455	23.8
101.06091	16.4
103.04022	36.1
103.05924	2.2
104.04351	1.8
120.22227	1.4
129.01866	1.6
138.68210	1.5
144.25269	1.5
146.92688	2.7
147.01970	2.8
147.03023	2.0
147.04575	4.1
147.06650	53.5
147.07832	3.2
148.04063	2.6
148.07031	2.6
164.30792	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	147.0665
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
50.11232	1.1
53.41019	1.1
57.03456	23.6
59.01380	3.7
60.85432	1.0
61.98833	12.7
66.29752	1.1
69.96731	3.7
71.01390	3.6
71.05003	1.8
72.99307	1.3
73.02954	8.4
73.77454	1.1
75.00868	1.8
75.82628	1.1
77.03976	1.1
85.02960	100.0
86.03281	3.3
87.00888	1.5
92.05080	3.4
95.95289	1.2
99.00898	1.3
101.02456	23.3
101.06085	11.1
103.04023	30.8
107.03640	2.7
119.05020	1.3
120.04597	1.3
144.64684	1.3
146.86700	1.9
147.02055	5.3
147.04585	5.2
147.06657	45.4
148.04048	8.5
148.06314	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	148.0168
Annotation	(S)-cis-Amino-5-chloro-4-pentenoic acid
Peak:m/z	Relative Intensity
58.51023	1.8
58.91600	2.1
59.01381	3.1
59.20536	1.8
65.00340	2.9
69.59702	1.6
69.60033	6.2
72.99309	3.2
77.03978	7.0
87.00884	5.2
93.03477	13.7
94.99316	3.7
95.01421	9.9
95.05022	5.7
99.37665	1.9
115.08887	1.7
118.26913	1.6
119.01410	2.7
120.02208	3.7
120.04549	3.9
121.02978	32.5
123.00912	3.6
134.03734	10.0
136.01689	2.0
138.03236	2.0
139.03979	2.8
147.00917	4.4
148.01683	100.0
148.04909	2.3
149.02501	28.6
149.06119	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	148.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26561	1.4
55.00246	1.4
58.49450	1.5
65.00327	10.5
65.46737	1.4
69.58211	6.5
77.03981	21.1
91.05558	1.5
93.03465	33.1
94.99323	1.7
95.01402	23.8
95.05036	17.1
103.05488	2.0
105.03465	6.8
114.77235	1.5
119.04974	3.7
121.02971	100.0
123.04554	4.8
141.44563	1.4
147.04541	22.9
148.05327	64.7
149.02458	75.2
149.05675	4.8
157.89391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0246
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
60.04732	1.4
65.00304	1.6
65.03971	3.5
67.01898	6.1
77.03969	6.3
86.49917	1.3
93.03468	94.1
94.03802	4.5
94.99299	10.7
95.01399	6.4
95.05030	5.3
98.21896	1.4
104.97771	4.6
105.03462	2.4
121.02967	77.9
122.03306	4.9
122.85861	1.8
123.04552	2.6
139.04025	100.0
140.04369	6.3
140.74034	1.5
145.88576	1.8
148.96753	1.5
149.01259	1.5
149.02449	40.3
149.46898	1.4
150.00203	2.7
150.02953	2.8
157.22137	1.3
165.01944	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	149.0246
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
60.38159	1.2
65.00326	11.5
65.03977	1.9
67.01890	3.5
71.24081	1.2
71.24447	1.7
77.03967	23.1
78.04314	1.3
93.03465	37.2
94.03786	1.7
94.99303	8.5
95.01401	21.4
95.05035	17.8
100.99491	1.2
104.97755	2.0
105.03465	3.0
107.01397	1.5
121.02973	100.0
122.03316	3.9
123.04561	3.2
139.04030	3.1
142.81190	1.2
148.96771	1.9
149.02466	78.8
150.00218	2.9
150.02979	3.5
150.05595	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
60.87347	1.3
65.00335	10.2
65.03972	3.0
67.01905	2.8
69.18008	7.8
72.99313	1.6
77.03975	27.0
78.04330	2.0
79.01897	1.7
93.03468	43.0
93.22032	1.3
94.99309	9.5
95.01405	26.5
95.05035	21.9
96.05364	1.7
104.97744	3.4
105.03464	4.3
107.01408	2.5
121.02967	100.0
122.03329	4.0
123.04551	6.2
124.04884	1.6
134.03699	1.6
139.04010	2.2
144.12354	1.5
148.96771	1.4
149.02458	92.4
150.00230	3.5
150.02930	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	149.0245
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
52.72387	1.5
63.54218	1.4
65.00327	13.8
67.01887	4.8
67.42468	1.7
73.33312	1.3
77.03976	33.5
93.03472	41.9
94.03805	2.3
95.01400	30.7
95.05031	18.8
96.01769	2.1
97.05135	1.5
98.21794	3.7
105.03496	2.3
107.01360	1.7
121.02977	100.0
122.03301	4.6
123.04530	4.2
139.04031	9.6
149.02464	87.9
150.02852	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	149.0246
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
65.00326	11.7
65.03974	2.9
67.01891	3.6
69.16949	1.7
69.17352	4.9
72.99290	1.6
77.03979	26.5
79.01865	2.3
87.00887	1.6
93.03468	40.3
94.03860	1.7
94.99312	3.8
95.01396	32.1
95.05042	21.9
96.01727	1.5
104.97745	1.5
105.03477	3.6
107.01330	1.3
121.02972	100.0
122.03316	5.8
123.04524	5.5
128.00128	1.6
139.04039	2.5
141.29805	1.3
149.02461	96.1
150.00250	3.5
150.02872	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	149.0458
Annotation	L-xylulose
Peak:m/z	Relative Intensity
55.01886	1.7
58.86402	1.3
59.01383	19.6
66.48117	1.5
69.03451	3.5
69.46929	6.3
71.01390	34.8
72.49751	1.7
72.99313	9.2
73.02954	24.8
75.00882	62.1
85.02950	2.1
87.00906	12.8
89.02457	100.0
90.02785	2.8
91.04684	1.4
98.21884	1.5
103.04032	5.6
104.30952	1.9
131.03528	12.7
149.04573	36.4
149.05698	3.2
159.22064	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	150.0324
Annotation	4-(hydroxymethyl)benzoate
Peak:m/z	Relative Intensity
59.01380	4.9
67.01882	2.3
69.80357	6.0
71.01375	7.2
77.03963	3.6
78.04329	1.7
81.03465	7.7
89.02433	4.4
93.03468	68.9
94.02993	4.5
94.03783	4.3
95.01385	2.7
95.05022	7.6
96.05408	2.2
101.02467	4.3
105.03475	5.6
107.05067	10.2
108.02190	18.7
108.04554	4.6
109.02962	5.2
120.80592	1.7
121.02973	86.2
122.03786	73.4
122.06118	7.0
123.04552	82.8
124.01759	2.0
133.01549	4.3
133.02965	2.5
136.01675	100.0
149.02429	21.0
150.00188	9.4
150.03246	35.9
150.04425	4.5
150.05585	12.0
150.94855	2.6
151.04021	57.5
151.05156	2.3
157.98639	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	151.04
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
60.04545	0.3
65.03966	0.7
67.01891	0.8
68.99814	1.0
69.21961	1.2
69.22371	0.7
71.01400	0.6
77.03967	0.9
79.05552	0.8
80.02685	0.8
81.03463	4.1
85.49960	0.3
93.03469	2.8
95.01406	1.4
95.05024	6.5
105.03469	7.7
107.05044	1.5
108.02179	7.0
108.04582	0.4
109.02949	1.4
121.02963	2.9
122.03754	24.5
123.04539	100.0
124.01691	1.5
124.04848	5.6
133.02989	2.8
134.03746	1.2
136.01669	7.2
137.02438	1.5
139.04065	0.6
148.75569	0.4
149.02438	1.6
150.03236	4.8
151.04022	59.5
151.17278	0.4
152.01170	0.7
152.03282	0.4
152.04459	3.6
154.02762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
52.09231	0.3
53.08662	0.3
54.83994	0.3
65.03965	0.6
67.01904	0.8
68.99825	0.8
69.03466	0.5
71.01377	0.5
71.42830	0.3
77.03973	1.3
79.05537	0.8
80.02697	0.5
81.03462	4.3
81.03893	0.4
93.03487	2.7
95.01411	0.7
95.05040	5.6
105.03475	8.0
107.05045	1.7
108.02187	8.5
109.03036	2.0
121.02992	2.3
122.03760	24.6
123.04543	100.0
124.01693	0.5
124.04874	5.3
133.02963	2.8
134.03752	1.1
136.01680	1.9
137.02440	0.8
139.04050	0.5
149.02490	1.5
150.03239	5.1
151.04027	52.7
152.04373	2.7
154.02785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0402
Annotation	Isovanillin
Peak:m/z	Relative Intensity
51.75119	1.2
52.74530	1.1
59.01400	1.8
65.03967	8.2
66.03493	2.8
67.01888	1.9
68.99802	1.3
70.72697	1.8
71.01395	4.0
74.03427	1.1
77.03970	1.6
77.62658	1.1
79.01897	2.1
79.05519	2.0
80.02690	4.0
81.03002	2.5
81.03469	29.9
82.03780	1.7
89.02464	1.5
91.01916	1.6
92.02699	1.7
93.03461	3.0
95.01401	5.6
95.05025	9.5
97.02962	1.4
98.21931	1.5
105.03466	11.2
106.03782	1.4
107.01411	5.3
107.05053	19.5
108.02196	86.6
108.04586	3.4
108.05371	2.3
109.02988	57.8
109.04095	2.3
110.03309	2.9
121.02994	3.8
122.03767	19.0
123.00916	6.3
123.04556	92.8
124.01685	3.0
124.04866	4.9
125.02470	3.6
133.02986	18.8
133.03967	1.0
136.01691	60.3
137.02065	1.6
149.02515	1.5
150.03261	5.2
151.04039	100.0
151.07674	3.0
152.01169	4.0
152.03525	4.0
152.04434	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	152.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02747	2.4
66.03489	4.6
69.03458	1.6
70.65173	2.4
80.26956	1.4
81.03463	2.5
83.01365	2.6
93.03484	3.8
95.01412	8.0
101.55695	1.5
106.77439	1.3
107.01440	3.2
108.02214	8.6
108.04568	4.2
109.02985	22.4
109.20771	1.5
110.00114	7.3
110.02524	2.1
121.02991	6.0
122.03774	5.6
123.00902	67.8
123.04568	12.4
124.01686	100.0
124.04874	5.6
125.02455	4.1
127.03163	1.5
135.04539	5.2
137.02023	5.5
137.99631	3.2
138.03317	1.5
139.04030	5.0
145.79701	1.4
151.00394	6.4
152.01175	67.5
152.03554	9.6
152.04460	4.5
152.07141	1.6
153.01971	22.7
153.05588	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	152.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10049	0.9
87.28076	0.9
89.05358	0.8
95.01382	4.0
123.00903	64.4
124.01684	100.0
125.01989	4.0
125.38827	0.8
152.01170	63.3
153.01553	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	153.0195
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
65.03965	14.5
66.04285	0.9
67.01888	7.3
68.99830	0.6
69.03442	0.8
69.21678	2.3
69.22082	1.4
81.03464	1.3
82.00627	1.0
82.02992	3.2
83.01442	0.9
88.20055	0.5
91.01913	4.2
91.27366	0.6
93.03468	1.5
95.01404	1.4
102.22520	0.6
108.02185	1.1
109.02962	100.0
109.76761	0.6
110.00102	7.0
110.03296	4.2
112.04021	0.7
115.16601	0.7
119.52518	0.6
121.02983	1.8
123.00899	4.1
123.04573	4.4
124.01697	0.9
125.02529	3.0
135.00906	24.7
135.04558	2.6
136.01248	0.7
137.99602	2.1
138.03235	2.5
139.04039	2.8
139.57230	0.6
146.14101	0.6
151.00414	1.7
153.01958	59.0
153.05591	1.9
154.01326	1.2
154.02348	2.0
154.05157	0.8
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-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
54.37862	0.3
61.98837	0.3
65.03970	0.5
69.31528	0.3
69.63859	0.6
69.64265	0.5
81.03463	2.3
82.00625	0.4
82.03010	1.1
83.01400	0.3
85.02959	0.2
85.30724	0.3
91.01913	0.9
93.23380	0.2
95.01401	0.6
98.22591	0.4
104.90553	0.2
108.02187	9.2
108.04551	0.4
109.02964	100.0
110.00085	0.8
110.02529	0.5
110.03296	4.5
117.55287	0.2
123.00856	0.5
123.04533	4.2
124.04060	0.3
125.02464	1.0
135.04535	0.5
137.99629	0.6
151.00397	0.3
152.91805	0.4
153.01952	15.2
153.05594	1.1
153.86844	0.5
154.01439	0.7
154.02475	0.4
154.05084	0.3
162.67784	0.2
164.41678	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0559
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
51.53712	0.3
54.74843	0.3
55.39398	0.3
64.60043	0.3
69.03484	0.4
81.03466	1.0
93.03477	1.2
95.01431	0.5
95.05025	2.2
105.03468	0.5
105.10542	0.3
108.02205	0.7
109.02950	2.6
110.00109	0.3
121.02975	0.6
122.03760	3.8
123.04536	100.0
124.04025	0.5
124.04872	5.0
125.02501	0.4
132.82945	0.3
135.04578	0.4
139.04024	0.5
153.01959	1.3
153.05585	11.6
153.86879	0.8
154.05960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0559
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
65.00317	0.3
68.99814	0.4
81.03471	0.8
82.02994	0.7
93.03459	0.8
95.01404	0.7
95.05037	2.2
96.96017	0.4
108.02197	0.9
109.02959	6.2
109.06656	0.4
110.00101	0.7
110.03295	0.3
111.04586	0.3
122.03747	2.7
123.04539	100.0
124.04016	0.7
124.04863	5.4
125.02484	0.8
137.99567	0.3
139.02821	0.3
151.00365	0.6
153.01944	2.5
153.05602	11.8
153.06850	0.6
153.86932	1.0
154.01442	0.6
154.05960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46611	0.7
55.08262	0.6
63.58305	0.6
65.68251	0.8
68.99827	0.8
71.80775	0.7
76.32418	0.6
79.94881	0.8
81.03483	0.8
82.03001	4.8
83.01403	1.3
89.58653	0.6
93.03487	0.8
95.05050	18.5
96.96015	4.5
110.03316	1.8
111.00930	1.2
113.06117	1.7
117.48019	0.8
118.89986	0.8
124.01734	1.1
139.04041	100.0
140.04364	4.9
153.86894	45.8
154.01399	3.8
154.06384	20.8
154.86911	3.4
155.06749	1.9
160.47107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12394	0.3
53.35708	0.4
59.01386	100.0
60.01736	1.1
69.21851	2.3
69.22252	0.6
70.04073	0.3
98.22596	0.9
155.93805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
64.34541	0.2
65.72646	0.2
70.77464	0.3
70.77795	0.3
79.39416	0.2
84.93885	0.3
85.02888	0.2
86.95465	0.2
87.00877	0.3
95.05074	0.2
99.92587	1.7
113.02444	0.2
114.94965	1.2
115.03002	0.5
115.07617	0.2
116.07191	0.4
116.92865	5.0
130.04169	0.3
158.03613	100.0
158.93892	0.3
159.02028	0.2
159.03979	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	159.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57573	0.4
55.24138	0.4
57.46954	0.4
59.01384	100.0
60.01723	1.8
65.99235	0.4
71.01402	1.1
71.40346	0.4
72.99294	0.5
73.02953	3.6
74.99372	0.9
85.02976	0.6
86.95456	0.5
87.00903	1.5
88.86060	0.5
97.06650	1.2
99.00915	0.5
99.92596	6.9
100.92654	0.5
101.02461	0.8
111.00926	1.3
113.02491	0.8
114.94936	4.2
115.02525	4.9
115.07683	0.4
115.94971	0.6
116.92874	20.5
116.98692	1.8
117.00457	9.2
117.02286	0.5
117.92921	1.3
117.95531	6.4
117.96315	0.5
118.00587	0.5
119.00261	0.8
129.01978	1.3
131.70740	0.4
138.69991	0.4
155.62404	0.4
158.84668	0.5
158.93916	2.2
158.99782	0.4
159.00040	0.5
159.01547	6.1
159.03069	2.7
159.04268	0.4
159.10304	0.9
159.89426	1.0
159.96620	1.5
160.01746	0.4
160.04100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0452
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
62.22116	0.3
71.01398	0.6
71.42520	0.4
73.02958	1.0
82.99706	0.3
84.93917	0.4
86.95455	0.7
94.69904	0.3
99.92587	4.1
100.92568	0.3
101.02500	0.5
111.00890	0.5
113.09718	0.6
114.94949	2.4
115.05540	2.2
115.94956	0.3
116.92866	12.3
117.92897	0.7
129.01953	0.5
130.04243	0.8
131.05026	1.2
131.49611	0.4
158.03751	13.4
158.05058	0.7
158.93951	1.9
159.04529	100.0
159.10283	1.5
160.04881	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	160.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74535	0.5
51.84408	0.5
57.03453	1.1
59.01377	5.3
69.36596	2.7
71.01382	5.7
71.05030	8.0
73.02963	3.5
83.01388	0.8
85.02953	4.3
87.00892	0.7
87.04519	3.3
89.02466	0.6
99.04528	15.3
100.92632	0.8
103.72728	0.5
104.02697	5.0
113.02456	0.7
115.04016	4.7
115.07669	1.7
116.92870	1.6
117.05587	10.1
117.92893	2.7
118.92686	0.5
131.03487	1.5
132.02184	100.0
133.03062	9.0
133.06549	1.3
148.86601	0.5
160.01675	19.4
160.03929	3.1
160.89207	0.7
161.02478	8.3
161.04567	2.6
161.08215	16.5
161.09491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85845	0.3
59.01379	1.1
65.00328	0.6
69.65738	1.1
71.01418	0.8
71.05019	0.5
73.02963	0.7
74.03336	0.3
77.03976	0.4
85.02962	0.9
88.03194	0.4
89.04019	0.6
98.22652	0.6
104.02700	5.3
105.03470	1.1
107.98578	0.3
115.01908	0.6
115.03999	0.4
117.05594	0.6
117.92902	0.6
132.02190	100.0
133.02995	40.3
133.03841	0.3
160.01678	18.6
161.02469	28.5
161.08202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
55.01877	0.7
57.03442	2.3
59.01384	14.7
69.03468	1.1
69.23528	2.9
71.01384	9.5
71.05027	8.4
72.99313	1.3
73.02955	12.5
73.31288	0.5
74.03304	0.7
77.03989	1.7
81.03464	2.9
83.01412	3.1
85.02966	16.7
87.00887	2.0
87.04492	3.2
89.02454	2.7
89.03983	1.0
95.01399	1.0
95.05042	0.9
97.02947	1.8
98.21880	1.0
99.00872	0.9
99.04536	10.0
101.02431	1.5
104.02716	1.4
105.03466	3.6
113.02481	1.3
115.01907	1.3
115.04028	4.1
115.07671	1.4
116.92894	3.4
117.03485	4.8
117.05593	14.2
118.02998	2.5
118.15004	0.6
118.92671	1.4
123.04556	1.1
124.56118	0.6
125.02476	0.9
131.03531	5.1
132.02188	11.6
133.02974	100.0
134.02507	0.7
134.03322	5.3
160.01674	0.7
160.84251	3.1
160.89291	2.2
161.02467	67.0
161.04503	10.0
161.06090	1.2
161.08223	16.6
161.89423	1.2
162.01978	4.9
162.03046	1.9
162.05641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0246
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
59.01383	2.9
69.26286	1.8
71.01399	1.9
71.05032	0.7
73.02962	2.4
77.03976	1.0
81.03512	0.4
83.01421	0.4
85.02956	1.7
87.04536	0.5
89.03989	1.0
92.25595	0.3
95.05032	0.5
99.04546	1.5
101.02450	0.6
104.02721	0.7
105.03474	3.5
113.02478	1.0
115.01920	1.2
116.92880	0.5
117.03467	0.4
117.05591	1.1
118.92660	0.5
121.02977	0.9
123.04552	0.7
129.32211	0.3
131.03590	0.4
132.02190	11.8
133.02974	100.0
134.02325	0.4
134.03294	5.3
160.01643	0.8
161.02463	62.1
161.08156	1.9
162.02875	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	161.0245
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
53.11612	0.6
55.66115	0.5
66.22222	0.5
71.23804	0.6
77.03993	0.8
89.04007	1.1
97.41303	0.5
104.02715	1.1
105.03492	3.0
115.01932	1.7
132.02180	11.6
133.02974	100.0
134.03314	5.2
161.02463	58.8
162.02794	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	161.0245
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
52.38276	0.4
70.75526	0.5
77.03973	1.2
83.69171	0.3
89.04015	0.7
95.05034	0.4
104.02686	1.0
105.03472	2.6
115.01904	1.6
132.02194	12.8
133.02971	100.0
134.03311	5.4
160.01599	0.5
161.02461	62.2
162.02826	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	161.0246
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
51.30709	0.4
62.85062	0.4
69.62907	1.7
77.03989	1.7
89.03990	1.0
98.22649	0.5
104.02702	1.0
105.03510	2.6
115.01916	1.8
132.02194	13.7
133.02977	100.0
134.03317	5.3
161.02469	54.3
161.03873	0.8
162.02797	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	161.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42143	0.4
56.36962	0.4
57.03454	0.5
57.93550	0.4
59.01389	3.9
65.00317	0.5
68.94634	0.4
71.01400	2.6
71.05035	2.8
73.02946	2.9
75.00864	0.5
77.03989	0.9
79.90970	0.4
81.03465	0.6
83.01374	0.4
85.02972	2.9
87.00909	0.5
87.04529	1.1
89.02497	0.4
89.03997	1.0
95.05000	0.5
98.22721	0.9
99.04559	2.9
101.02460	0.4
104.02699	1.0
105.03472	2.3
112.82615	0.5
113.02505	0.4
115.01903	1.4
115.04012	1.3
115.07678	0.5
115.92070	0.7
116.92895	1.6
117.03480	0.6
117.05585	3.7
118.02998	1.0
131.03529	1.4
132.02194	13.4
132.03188	0.9
133.02974	100.0
134.03317	5.6
160.84160	0.9
160.89299	0.7
161.02463	59.2
161.04622	2.1
161.08215	5.0
162.01747	0.9
162.03061	3.4
179.95505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0243
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
57.32593	0.6
59.01387	3.9
69.55348	1.8
71.01394	2.3
71.05039	2.2
73.02964	1.6
77.03986	1.1
85.02953	3.6
86.27047	0.6
87.04533	1.5
89.03988	1.2
92.93588	0.7
98.21838	1.3
99.04528	3.6
104.02691	0.9
105.03469	2.2
115.01920	1.6
115.04014	0.8
117.05585	3.7
120.26819	0.6
121.24609	0.6
131.03467	1.0
132.02194	10.9
133.02974	100.0
134.03284	4.5
134.13441	0.6
160.89415	0.7
161.02463	56.3
161.04599	2.4
161.08228	5.0
162.02896	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	161.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30033	0.3
56.35064	0.4
69.20917	1.4
69.21326	0.7
77.03979	1.4
89.03994	1.2
95.05065	0.5
98.21903	0.7
104.02720	0.8
105.03483	2.3
115.01907	2.0
132.02190	12.8
132.26950	0.4
133.02975	100.0
134.03302	6.3
153.38312	0.4
160.01685	0.6
161.02464	58.2
162.02803	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	161.0458
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
55.01869	7.2
57.03452	33.5
58.00593	3.0
59.01384	95.7
60.40924	2.1
62.29052	2.0
69.03457	6.9
69.41122	6.5
71.01394	68.9
71.05023	6.6
72.99313	6.4
73.02951	43.2
75.00864	5.5
81.03467	12.1
83.01385	22.5
85.02959	100.0
87.00885	13.0
87.04530	2.8
89.02444	10.0
94.77947	2.4
95.01407	8.1
97.02956	15.2
99.00852	5.5
99.04520	20.8
101.02462	24.2
109.18222	1.9
113.02451	10.5
115.04018	5.4
117.03526	4.4
117.05570	5.7
122.00468	2.1
123.07083	2.1
125.02424	5.5
129.01938	3.5
131.03508	31.6
133.02965	5.7
152.66257	2.0
161.02538	15.2
161.04587	65.6
161.08189	6.5
162.01970	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	163.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02412	5.3
65.00328	5.3
69.27151	4.9
71.01395	0.9
85.02990	1.2
88.93397	0.9
91.01904	7.2
93.03467	89.0
94.03815	3.8
95.01411	1.6
101.02470	2.3
107.01401	100.0
108.01669	2.2
117.03489	0.9
119.01423	1.9
119.05039	72.7
120.05363	4.1
135.00900	36.5
135.01770	0.8
135.04529	8.0
136.01668	1.3
148.01668	1.8
163.00389	96.9
163.04005	16.9
164.01176	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	163.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15169	0.2
69.20021	0.7
69.20406	0.6
85.02948	0.3
91.05544	0.6
93.03477	1.6
101.02455	1.1
119.05040	100.0
120.05376	5.6
135.04578	0.4
145.03030	0.4
147.04514	0.7
163.00336	1.2
163.04021	6.3
163.06161	0.6
164.01154	0.4
164.04736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36209	0.4
59.65260	0.3
70.93501	0.5
81.10333	0.3
93.03467	3.1
101.02438	0.4
117.03461	0.4
119.05038	100.0
120.05367	4.1
135.04582	0.5
163.00394	1.4
163.04007	8.8
163.06166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.3
63.02426	0.2
70.80236	0.4
71.01418	0.3
71.50702	0.2
72.00934	0.3
75.54654	0.2
75.71235	0.2
85.02959	0.8
86.85949	0.2
89.02465	0.3
91.01905	0.9
93.03465	4.2
101.02444	1.3
108.02216	0.8
110.15482	0.3
113.02477	0.3
117.03511	0.4
119.05042	100.0
120.04548	0.6
120.05374	5.2
121.02956	0.5
135.00890	1.2
135.04573	0.9
147.04550	0.8
148.01744	0.3
149.02402	0.3
162.83907	1.8
162.89314	0.7
163.00383	4.6
163.02568	0.5
163.04024	8.5
163.06082	1.3
163.07359	0.3
164.01173	3.9
164.03351	0.4
164.04578	0.3
164.07268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	3-Oxo-3-phenylpropanoate
Peak:m/z	Relative Intensity
50.59457	0.4
59.01405	0.5
64.73712	0.4
65.22242	0.4
69.95253	0.4
89.14626	0.6
91.05551	0.5
93.03469	82.6
94.03829	2.6
101.02419	0.5
119.05042	100.0
120.05364	3.9
135.04559	7.0
163.00397	1.0
163.04030	13.5
163.06126	0.8
164.04433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45316	0.2
58.28712	0.2
59.01380	0.4
71.01366	0.3
85.02965	0.3
91.05540	0.5
93.03455	1.7
101.02435	0.6
117.03462	0.3
119.05038	100.0
120.05367	4.9
121.02938	0.2
135.00941	0.6
135.04500	0.5
162.83891	0.3
163.00407	1.0
163.04033	6.5
163.06123	0.4
163.07584	0.3
164.01170	0.6
164.04396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
71.01406	0.2
78.64370	0.2
91.01923	0.6
91.05527	0.4
93.03467	1.6
101.02466	0.4
102.66894	0.2
107.01389	1.3
117.03421	0.3
119.05038	100.0
120.05373	5.3
135.00902	1.2
135.04555	0.2
142.81303	0.2
148.05327	0.2
163.00395	2.3
163.02719	0.4
163.04022	5.9
163.06102	0.3
164.00986	0.2
164.04358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0767
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
74.49003	0.2
75.14999	0.2
84.86511	0.2
85.02980	0.3
85.69151	0.2
91.01893	0.8
93.03475	0.2
101.02446	0.3
119.01398	0.3
119.05040	6.0
120.04645	0.2
121.02970	1.9
122.03776	0.2
134.84605	0.2
135.00877	1.1
136.01306	0.2
147.04546	2.9
148.05321	100.0
149.05646	5.0
163.00375	3.7
163.04042	0.6
163.06241	0.4
163.07626	3.2
164.07994	0.2
173.87109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05461	0.9
59.01377	2.9
61.98817	2.0
68.85114	1.0
70.94776	1.1
71.01379	1.1
85.02975	1.1
91.01902	2.9
93.03426	1.1
95.01415	1.0
101.02453	2.8
105.01950	2.1
107.05013	1.6
116.92091	7.7
116.92871	1.9
117.91875	1.0
118.99232	1.3
119.01389	1.4
119.05025	10.5
135.00899	5.8
142.92476	1.2
162.83945	3.6
162.89330	2.4
163.00386	16.8
163.01620	1.3
163.04024	2.4
163.11302	100.0
164.11601	6.5
182.46658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1123
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
51.05461	0.9
59.01377	2.9
61.98817	2.0
68.85114	1.0
70.94776	1.1
71.01379	1.1
85.02975	1.1
91.01902	2.9
93.03426	1.1
95.01415	1.0
101.02453	2.8
105.01950	2.1
107.05013	1.6
116.92091	7.7
116.92871	1.9
117.91875	1.0
118.99232	1.3
119.01389	1.4
119.05025	10.5
135.00899	5.8
142.92476	1.2
162.83945	3.6
162.89330	2.4
163.00386	16.8
163.01620	1.3
163.04024	2.4
163.11302	100.0
164.11601	6.5
182.46658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20317	0.4
66.92013	0.5
69.47887	1.7
70.00604	1.2
85.79825	0.5
95.01393	1.0
108.02185	15.4
111.00896	1.9
113.64627	0.4
120.05376	0.5
121.02969	8.8
123.00901	1.8
135.00891	1.1
136.01682	10.3
136.04051	0.7
137.02478	4.8
139.00385	1.6
149.00978	0.6
150.03171	0.5
163.00386	10.0
163.01677	0.9
164.01172	100.0
164.83672	1.3
165.01540	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	164.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67963	0.4
54.68240	0.4
70.00607	0.7
75.42674	0.4
77.03975	0.5
85.67424	0.4
86.34128	0.5
95.01403	1.3
108.02187	13.4
109.02968	0.8
111.00890	2.1
120.04587	0.5
120.05358	0.8
121.02968	14.4
123.00905	2.0
124.01604	0.5
135.00871	0.9
136.01686	9.0
137.02463	7.1
139.00380	1.7
142.55307	0.4
149.01022	0.8
150.03285	0.5
163.00389	11.8
164.01170	100.0
165.01678	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	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
54.94373	0.6
56.00431	0.6
59.01382	0.6
66.80972	0.5
67.67818	0.5
70.50892	1.2
72.00917	44.1
81.00088	0.6
91.05550	4.6
93.03461	1.1
103.05557	3.4
108.02170	4.9
109.02968	3.7
117.94926	0.6
120.05360	0.8
121.02962	1.7
123.00886	1.2
136.01666	3.5
137.02458	26.7
146.06190	1.0
147.04536	100.0
148.04881	5.4
149.01042	1.4
150.03178	0.9
164.07182	46.5
164.83620	4.5
165.01945	15.4
165.07501	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	165.0195
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
65.03960	0.8
69.14439	1.9
69.14845	0.5
81.03463	3.8
91.01904	0.8
93.03470	2.3
95.01384	1.9
108.02184	20.5
109.02978	12.5
110.03326	0.7
111.00917	1.6
119.01407	1.3
121.02976	0.9
123.00885	2.2
124.01684	1.7
136.01674	12.4
137.02460	100.0
138.02794	5.2
139.00352	0.4
165.01942	60.9
166.02321	3.1
168.63133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0195
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
54.91747	0.6
65.03974	1.7
67.01897	2.1
69.31181	3.4
81.03466	3.3
91.01889	0.9
93.03472	29.4
94.03790	1.2
95.01408	2.0
98.22713	1.0
106.54026	0.6
108.02184	16.8
109.02345	0.8
109.02989	12.4
110.03265	0.8
111.00887	1.7
121.02971	30.4
123.00904	1.6
124.01637	1.8
136.01677	10.9
137.02460	100.0
138.02794	4.9
139.04028	36.9
140.04369	1.0
149.00983	1.2
150.02150	1.2
150.03239	13.8
165.01949	62.0
166.02408	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0406
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01887	3.9
56.24751	0.5
57.03448	0.9
59.01118	0.9
59.01388	10.1
62.06134	0.5
69.35426	2.9
71.01389	8.6
72.99323	5.6
73.02954	1.9
75.00880	100.0
76.01224	1.4
81.43199	0.5
82.89353	0.5
83.01396	0.5
85.02956	0.9
87.00887	63.5
88.01177	1.1
89.02460	3.4
99.00893	13.6
101.02451	3.5
105.01945	56.4
106.02267	0.9
117.01966	3.8
119.03519	0.7
129.01952	10.0
130.02260	0.6
135.03033	1.7
143.09848	0.5
147.03014	8.6
147.64407	0.5
162.59306	0.7
165.04062	60.0
166.04431	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	165.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35454	0.3
58.72975	0.3
59.36603	0.3
59.60767	0.3
60.19308	0.3
64.17324	0.3
67.01900	0.3
67.42808	0.3
71.24325	0.3
72.57039	0.3
75.00874	0.8
81.03468	0.3
87.00886	1.1
88.66840	0.3
88.88419	0.3
92.68140	0.3
93.03469	10.0
94.46503	0.3
105.01965	1.0
105.03523	0.3
108.02196	1.8
108.04571	4.4
109.02959	2.1
119.05081	0.3
121.02973	10.8
122.03757	30.4
123.00959	0.4
123.04012	0.6
123.05604	0.4
124.01665	0.5
133.02975	0.8
134.03825	0.7
135.04539	0.5
136.01720	2.1
137.02466	8.2
138.05643	5.0
142.02065	0.3
149.01007	1.0
149.02460	4.8
150.03242	100.0
151.03587	4.6
164.73253	0.4
164.83641	0.6
164.89688	0.3
165.01947	4.0
165.04156	0.9
165.05566	8.0
165.06851	0.7
166.01385	0.4
166.05072	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	166.051
Annotation	Isopyridoxal
Peak:m/z	Relative Intensity
58.02963	0.6
65.99843	2.0
66.03497	2.1
67.01877	1.3
68.01410	0.7
69.03466	2.3
70.46674	0.4
77.52901	0.5
80.05076	0.5
81.03463	1.2
82.02980	0.9
85.02974	4.3
91.45525	0.5
92.05067	8.5
93.03486	1.0
94.02991	11.7
94.06635	0.9
95.01395	4.3
95.05049	0.8
95.96571	0.5
96.04568	11.0
97.02958	2.9
104.05072	0.7
106.03010	3.2
108.02181	5.3
108.04566	15.4
109.02982	3.0
109.04842	0.6
110.03297	0.6
110.06126	2.4
111.00851	1.1
111.04535	1.1
120.03823	0.4
120.04572	11.0
121.02979	4.4
121.04882	0.8
122.02499	57.8
122.06110	1.2
123.00906	12.0
123.03374	5.5
123.04536	2.2
124.01670	26.0
124.04023	1.9
124.98421	0.7
125.02459	1.4
130.03000	0.7
131.03795	1.2
136.01714	1.7
136.04059	35.0
137.02458	8.5
137.04492	1.1
138.03331	5.4
138.05617	14.7
139.00496	0.6
139.04073	1.2
147.03294	0.9
148.04060	24.9
149.04416	1.2
150.03229	3.5
150.80165	0.6
151.00412	8.0
151.02730	3.9
152.01170	100.0
164.03474	1.0
164.53119	0.6
165.00693	0.5
165.01863	2.7
166.01312	2.9
166.02736	1.3
166.05119	16.4
166.06461	1.2
167.03519	16.3
167.04910	1.3
182.78616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0512
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
50.71925	0.4
53.72736	0.3
81.19961	0.3
90.27570	0.3
92.05062	4.5
92.33231	0.3
93.03441	0.7
94.02989	1.4
96.51509	0.3
103.52656	0.4
103.99272	0.3
107.03809	0.4
108.04568	98.0
109.04263	0.5
109.04908	3.7
110.06150	0.6
120.04577	5.4
122.02485	0.8
122.06079	0.5
123.03270	1.2
123.04572	2.0
124.01564	0.4
136.04060	9.3
138.05626	100.0
139.05981	3.9
152.01146	0.5
152.03694	0.4
153.21338	0.4
164.03488	0.7
166.05112	41.5
167.02174	0.3
167.03531	0.8
167.05441	1.5
171.79155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40976	0.2
59.71652	0.2
60.22630	0.2
67.88816	0.2
69.17393	0.3
69.17789	0.7
80.70994	0.2
100.39112	0.2
120.59290	0.2
120.97071	0.2
123.00893	6.3
123.01749	0.4
124.01676	22.5
125.02026	1.0
145.97035	0.2
150.46112	0.2
152.01166	100.0
153.01501	5.0
167.03505	8.0
168.03842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1079
Annotation	(1alpha,4alpha,7R*)-5-methyl-7-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
51.90105	3.7
54.51239	4.2
57.03456	6.8
69.03465	8.8
69.22241	21.4
74.23701	3.2
74.24995	4.0
77.97451	4.2
85.06612	4.2
91.74436	3.5
95.01396	12.6
96.04564	6.7
97.02911	4.6
99.08160	12.0
108.02171	29.5
123.00888	14.9
123.04552	33.0
124.01636	4.7
124.98424	15.6
139.04037	4.9
140.02600	5.7
149.02452	7.9
152.01175	65.8
153.00667	29.6
166.99664	5.5
167.03545	35.8
167.07196	7.3
167.10783	100.0
168.03030	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	167.1079
Annotation	(+-)-1,8-Epoxy-p-menthan-3-one
Peak:m/z	Relative Intensity
59.01386	100.0
60.77158	1.0
95.01405	2.6
96.04565	1.1
98.22614	2.7
108.02190	9.3
123.00890	3.4
123.04520	4.8
124.01666	2.8
124.98460	3.9
139.03993	1.9
142.68054	1.0
149.09706	5.6
152.01166	18.3
153.00685	4.9
167.03497	10.8
167.04710	1.1
167.07089	1.2
167.10793	45.0
168.03079	2.2
168.11194	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	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	100.0
59.03322	1.1
61.98826	2.6
69.03413	1.1
69.39792	0.9
69.93550	2.6
82.95421	4.3
90.89875	0.8
96.04563	2.0
123.00903	3.1
125.02476	8.7
125.09726	1.0
125.98524	1.2
126.01902	1.1
132.86806	7.3
141.02013	1.0
153.00673	12.5
153.01711	1.4
156.95450	0.8
167.87112	1.6
168.03070	3.9
168.13853	6.0
169.01456	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	169.1235
Annotation	3-exo-hydroxy-1,8-cineole
Peak:m/z	Relative Intensity
50.63281	2.0
59.01372	10.1
59.01650	2.3
69.03457	6.1
71.01401	2.5
81.03472	3.4
82.34904	2.3
87.22066	1.9
89.11464	2.3
97.02959	9.1
97.06554	2.3
125.02457	53.0
125.09744	13.8
126.98178	5.5
142.02965	2.4
151.11235	3.1
154.01108	3.1
168.83682	2.9
169.01523	15.1
169.08737	2.5
169.12364	100.0
170.12746	3.7
184.61761	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	170.9788
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99883	1.4
59.01386	100.0
60.01715	1.4
60.99320	0.8
62.22852	0.6
67.46343	0.5
71.01399	5.2
72.99313	8.3
73.01456	1.0
73.98630	2.9
74.99384	14.9
77.96548	1.0
82.99881	4.2
84.48000	0.6
87.00868	1.7
88.98835	2.9
89.02455	19.3
89.04380	0.7
98.54221	0.7
99.00694	0.8
102.00130	0.6
117.00458	98.2
118.00542	6.3
125.00977	1.7
126.98885	3.0
126.99975	1.7
127.15519	0.6
128.96820	3.5
128.97841	1.4
128.98677	1.8
129.00456	7.5
130.00664	0.6
141.00470	0.7
143.00114	1.8
143.01964	1.2
143.99736	0.7
168.99954	0.9
170.97868	32.2
171.01866	5.8
171.10271	3.9
171.13934	3.5
171.97998	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	171.1028
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
50.32047	0.5
59.01373	1.0
83.05061	0.7
91.10329	0.7
99.08176	1.2
125.09700	3.1
127.07667	5.6
127.11295	7.2
130.08727	1.0
144.04561	1.2
153.09216	2.1
171.02000	9.9
171.10284	100.0
171.13951	2.7
172.04062	0.6
172.10646	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	173.0093
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00309	1.7
55.01879	6.8
57.03461	3.4
58.02983	0.7
59.01390	8.8
67.01881	2.6
68.99814	2.3
69.03452	0.8
70.77599	1.3
71.01389	100.0
72.01741	1.5
72.99315	5.6
73.02954	7.5
75.00909	0.9
80.99818	1.4
81.03489	0.6
83.01398	8.5
83.05013	1.3
85.02962	3.9
87.00902	3.6
93.03468	9.5
93.04030	0.8
96.99340	3.9
99.00891	40.6
99.04530	1.0
100.01224	1.0
101.02462	1.1
104.59480	0.6
110.74767	0.6
111.00895	3.0
111.04563	3.9
112.98820	16.0
112.99618	0.9
114.80293	0.6
115.00397	4.8
124.98818	26.6
125.99214	0.6
127.00531	0.6
128.07195	1.8
129.01932	1.7
131.00241	0.6
131.08319	2.2
137.02499	0.7
141.88742	0.7
142.99876	46.8
144.00229	1.1
145.01538	0.7
154.94798	0.8
154.99895	1.5
163.94882	0.7
167.09435	0.7
173.00935	13.3
173.02272	0.5
173.04601	2.4
173.08160	0.9
174.07738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1185
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
59.01400	0.4
69.18690	2.2
71.51913	0.4
83.05035	0.5
85.02935	0.4
93.03478	2.1
98.21880	0.8
109.60288	0.4
111.00889	0.7
111.04560	0.4
111.08176	1.0
117.03444	0.4
125.09734	0.6
127.11307	11.4
128.11664	0.8
129.09230	0.5
135.94252	0.4
145.03064	0.5
148.53906	0.3
151.33469	0.4
155.10823	2.8
171.10268	1.0
173.02400	0.9
173.11842	100.0
174.12169	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	175.025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22549	0.5
59.01385	100.0
60.01723	1.2
68.99816	0.7
69.81449	1.1
71.01410	1.7
75.00924	0.6
85.06640	0.5
87.00877	2.5
90.97163	2.2
94.00220	0.5
100.98824	6.5
113.06124	0.9
115.00386	2.7
119.05086	1.7
126.39394	0.5
127.97520	5.0
132.98213	28.4
142.99902	0.8
147.04532	2.7
159.98859	0.5
163.30116	0.5
174.82851	0.7
174.99260	10.5
175.02654	0.5
175.04034	1.7
176.03470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
69.29623	1.5
91.01891	0.4
91.53799	0.3
104.02734	1.5
115.00384	1.1
123.66949	0.3
132.02188	46.8
132.98170	0.5
133.02525	2.3
142.32007	0.3
147.04523	0.7
159.00821	0.3
160.01677	100.0
161.02010	5.1
175.04013	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	175.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
71.00655	0.3
83.51488	0.2
90.00005	0.3
94.98101	0.3
95.03857	0.3
98.22610	0.8
104.02719	1.6
124.66306	0.3
132.02184	48.0
132.59497	0.3
132.98199	0.3
133.02525	1.9
133.86375	0.2
136.35316	0.3
147.04550	0.3
156.92691	0.5
160.01672	100.0
161.02008	5.2
174.93758	0.4
175.04019	15.0
176.01204	0.3
176.04410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
64.50190	0.2
65.62498	0.2
69.85219	0.6
69.85574	0.4
87.00908	0.3
104.02694	1.8
114.51398	0.2
132.02188	50.7
132.98236	1.1
133.02518	2.3
160.01678	100.0
161.02013	5.0
174.82892	0.3
174.86200	0.3
174.99280	0.4
175.04019	14.4
176.04391	0.7
191.55920	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39866	0.3
52.56443	0.3
56.20416	0.3
69.27564	1.6
77.03994	1.8
81.03466	2.9
89.03975	10.3
90.04324	0.3
93.03483	1.6
95.05043	2.3
105.03469	18.2
106.03745	0.8
107.01394	0.6
109.02959	0.5
121.02946	1.9
123.04546	0.5
130.97983	0.3
132.02193	0.3
133.02972	36.1
134.03331	1.6
139.04016	0.9
147.95996	0.3
149.02435	4.8
162.03258	1.6
177.01942	100.0
178.02306	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	177.0559
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
69.06281	0.8
69.06684	1.5
69.56776	0.4
74.72459	0.4
77.03979	2.0
79.08725	0.3
89.03979	2.7
93.03415	0.4
95.05037	3.5
98.22634	0.7
105.03473	12.3
106.03767	0.6
117.03480	43.2
118.04282	28.3
119.04575	1.1
121.02969	15.9
123.04549	5.4
132.02176	0.5
133.02972	28.3
134.03670	1.5
145.02968	61.0
146.03320	2.6
147.04507	0.3
149.02425	1.4
162.01915	0.8
162.03246	10.0
163.03722	0.5
177.02005	22.5
177.05585	100.0
178.02336	1.3
178.05914	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	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62351	0.0
59.01376	0.4
61.98840	0.4
65.71727	0.1
71.01403	0.0
78.95947	0.1
79.95766	0.2
87.00899	0.3
95.95241	0.2
106.37998	0.1
119.93739	3.7
120.93766	0.3
129.72943	0.1
132.88779	0.0
134.96109	25.7
135.04514	0.2
135.93240	0.1
135.96172	1.7
136.94023	100.0
137.94093	6.9
138.94434	0.2
151.92734	11.7
152.92809	0.8
153.93176	0.1
154.95090	0.3
161.04510	0.1
178.95078	52.9
179.05618	0.2
179.95181	4.2
196.79951	0.1
196.96118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75067	0.2
59.01392	0.7
61.98856	0.3
70.79927	0.2
78.95915	4.3
82.97785	0.2
85.02956	0.3
85.89804	0.2
87.00907	0.9
119.93747	4.9
120.93819	0.3
134.96115	31.3
135.04555	0.4
135.96176	2.0
136.94034	100.0
137.94101	6.8
143.22986	0.2
151.92743	12.2
152.92804	0.7
161.04570	0.6
178.95076	50.9
179.05620	0.3
179.95168	3.8
196.96112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.11270	0.3
54.79567	0.2
59.01385	0.5
69.12792	1.5
69.77370	0.2
73.23962	0.2
87.00893	1.1
89.03972	0.4
90.98483	0.3
91.05553	0.9
93.03470	0.3
98.22718	0.5
99.00856	0.3
102.84079	0.3
106.04297	0.6
107.01441	0.4
107.05047	3.3
108.02171	0.4
109.02971	0.4
117.03487	0.8
134.02722	0.4
134.03763	8.9
135.04546	100.0
136.01598	0.3
136.04866	4.0
137.02480	0.3
161.02440	0.3
161.04623	0.6
164.01138	0.7
179.03511	10.8
179.05779	0.5
180.03786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54622	0.2
66.55404	0.2
69.45251	1.0
69.45609	0.3
72.05663	0.2
72.59964	0.2
89.03978	0.4
91.05564	0.5
106.04285	0.2
107.05042	2.0
108.02203	0.3
109.02945	0.3
117.03473	0.9
133.02982	0.4
134.03766	7.3
135.04546	100.0
136.04880	3.8
137.02544	0.3
159.35718	0.2
161.02438	0.5
162.58333	0.2
179.03526	14.3
180.03909	0.7
182.08755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
67.35385	0.3
70.06566	0.2
70.57500	0.4
89.04015	0.3
91.05543	0.6
93.03498	0.3
106.04250	0.2
107.05035	2.3
108.02176	0.4
117.03462	0.6
134.03758	6.9
135.04536	100.0
136.04861	4.2
174.14305	0.2
179.03506	12.2
180.03877	0.5
191.68787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
60.69565	0.2
66.81647	0.2
69.42744	1.0
89.04002	0.6
91.05537	0.6
93.03471	0.3
98.22653	0.4
106.04259	0.4
107.05048	2.6
108.39332	0.2
109.02949	0.5
117.03464	0.9
123.04588	0.2
133.02989	0.3
134.03761	7.5
135.04543	100.0
136.04874	4.0
151.04033	0.8
159.85681	0.2
161.02452	2.6
177.21623	0.2
179.03517	17.9
180.03822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
57.97153	0.2
67.54688	0.2
68.99835	0.5
87.00910	0.3
89.03982	0.5
91.05560	0.5
93.03445	0.3
106.04264	0.3
107.05036	2.0
108.02204	0.5
109.02961	1.1
117.03491	0.9
119.01412	0.8
134.03763	7.4
135.04541	100.0
136.04861	3.8
147.00893	0.6
147.14987	0.2
163.19643	0.2
179.03516	13.8
180.03801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Aspirin
Peak:m/z	Relative Intensity
59.01386	7.8
61.66552	0.3
65.03962	0.3
65.69774	0.3
66.42901	0.3
71.53290	0.3
92.02715	0.5
93.03470	71.5
94.03815	2.0
96.90890	0.3
108.02172	0.3
109.02962	0.3
117.03488	0.3
134.03769	1.6
135.04543	100.0
136.04881	4.1
137.02507	0.8
152.56773	0.3
179.03516	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	180.043
Annotation	methylphoracetophenone
Peak:m/z	Relative Intensity
58.00603	1.1
59.01382	0.7
59.98530	0.9
61.98865	0.2
62.03718	0.2
65.03967	0.3
66.07045	0.3
67.01902	0.7
70.56160	0.5
71.01387	0.7
73.02931	0.2
73.70333	0.3
85.67563	0.2
89.02457	0.6
89.04395	0.2
93.03467	22.9
94.03790	0.4
95.05071	0.3
108.02177	0.4
109.02949	0.2
112.57888	0.3
115.63192	0.2
116.06585	0.2
121.02967	23.9
122.03350	1.0
135.04561	1.6
136.04863	3.1
137.02431	2.2
139.04024	100.0
140.04356	3.6
141.04533	0.4
148.01688	2.6
165.01942	41.7
166.00983	0.4
166.02325	2.0
180.04298	15.7
181.04709	0.7
181.07127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0508
Annotation	Hydroxyphenyllactic acid
Peak:m/z	Relative Intensity
51.75955	1.2
71.45065	1.1
72.99314	34.3
78.87431	1.1
93.03437	2.4
101.02441	1.5
107.05042	4.6
119.05039	62.4
120.05373	3.6
134.03745	14.5
135.04544	100.0
136.04855	3.6
147.48376	1.0
163.04027	89.7
164.04352	2.9
181.05086	51.9
182.05417	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	181.0509
Annotation	2',6'-Dihydroxy-4'-methoxyacetophenone
Peak:m/z	Relative Intensity
59.01383	3.6
67.01878	0.9
70.18045	0.9
70.18369	1.7
71.01389	2.1
72.99325	1.0
89.02438	1.7
93.03468	20.9
101.02443	2.3
119.05064	2.5
121.02971	29.8
122.03757	80.4
123.04574	22.4
124.01640	1.3
124.04868	0.8
132.38249	0.7
135.04520	2.2
136.01524	0.8
137.02415	4.4
139.04030	39.5
140.04335	1.3
149.02448	6.7
153.05620	2.2
154.02719	3.0
161.86209	0.7
163.04073	3.6
166.02730	1.3
181.05083	100.0
182.05423	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	181.0509
Annotation	2',6'-Dihydroxy-4'-methoxyacetophenone
Peak:m/z	Relative Intensity
50.55682	0.7
51.93987	0.7
52.62288	0.8
59.01383	2.0
67.01894	0.8
68.23080	0.7
69.68723	2.7
71.01414	1.9
73.93880	0.7
89.02445	0.9
93.03468	22.2
101.02444	0.9
108.02155	1.7
121.02970	32.1
122.03754	95.4
123.04577	22.7
124.01684	2.1
124.04877	0.8
135.04433	0.9
137.02429	3.4
139.04030	38.4
140.04356	2.0
149.02486	6.1
150.03175	0.7
151.04005	1.3
153.01897	0.7
153.05569	2.7
154.02750	2.8
163.04054	1.0
181.05080	100.0
182.05421	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	181.0509
Annotation	cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol
Peak:m/z	Relative Intensity
59.01385	26.2
61.98828	1.5
69.03484	1.4
69.86121	3.5
71.01388	28.1
72.99311	21.1
73.02962	9.2
78.95918	24.9
83.01368	2.3
84.12101	1.1
85.02959	4.4
89.02452	16.9
91.03989	1.2
93.03485	15.2
94.03806	1.3
97.02972	2.3
98.22614	1.6
101.02448	18.7
107.05072	3.0
109.02943	1.6
110.00111	2.1
113.02426	3.2
119.03677	1.9
119.05046	41.8
120.05385	3.8
121.02965	21.7
122.03761	49.8
122.04649	2.4
123.00900	3.0
123.04591	14.9
124.01682	1.4
131.03432	1.3
134.03761	7.5
135.04544	56.0
136.04834	2.5
136.94101	1.2
136.95815	2.6
136.98660	1.2
137.02495	5.1
138.93761	19.5
138.94763	2.9
139.04045	25.0
149.02411	2.6
151.00397	4.3
153.01961	1.8
153.05617	2.2
153.92421	2.7
154.02739	3.7
163.04033	63.2
163.06210	2.4
164.04320	6.2
165.99133	1.2
166.02711	6.2
168.66206	1.0
180.94574	7.8
180.96182	1.4
181.01491	3.9
181.05089	100.0
181.07143	21.9
182.05385	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	182.0222
Annotation	3-O-Methylgallate
Peak:m/z	Relative Intensity
52.00765	0.2
58.08257	0.2
67.01614	0.3
67.01901	2.5
69.03439	0.3
71.01375	0.3
71.44875	0.4
73.11383	0.2
95.01396	49.1
96.01735	1.0
97.02956	0.9
103.21251	0.3
109.02972	1.7
123.00899	100.0
124.01127	2.9
137.02458	1.4
138.03163	0.8
166.99873	44.4
168.00391	2.0
181.01393	1.9
182.02231	12.8
182.07480	0.2
183.02798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	8.2
59.01173	0.3
59.01391	3.2
70.76223	0.3
70.94223	0.4
73.02943	0.9
80.51647	0.3
83.01401	1.3
93.39214	0.3
101.02454	100.0
102.02795	2.2
102.05599	0.7
103.96020	0.3
110.11504	0.3
113.04588	0.7
115.02538	0.8
116.05412	0.3
124.88554	0.3
139.02550	0.8
140.02078	1.2
141.00488	4.1
141.99973	0.3
144.63943	0.3
145.18954	0.3
157.03581	14.0
158.03706	1.0
178.57571	0.3
183.01511	6.3
184.00983	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	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.13540	0.4
62.53200	0.5
66.30283	0.4
69.75639	0.9
79.44953	0.4
98.22646	0.6
124.01714	0.6
137.02434	0.5
139.00394	0.5
165.01939	2.1
167.99356	0.7
174.40459	0.4
183.00552	0.6
183.03064	0.8
183.13913	100.0
184.14275	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	183.1392
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01384	0.8
65.11475	0.5
67.01875	0.5
69.25723	3.2
71.01414	0.6
77.17677	0.6
77.97849	0.6
98.21955	1.2
123.00915	0.6
137.02440	2.4
139.00410	0.7
165.01961	4.2
167.05585	0.7
167.99385	1.1
183.00473	1.1
183.03090	1.2
183.13913	100.0
184.14268	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76945	6.5
59.01372	8.4
69.22685	5.9
70.80051	11.3
73.44580	5.2
140.02065	52.9
141.99953	5.2
165.53493	5.9
184.01030	100.0
185.01071	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80236	5.8
59.01385	16.2
59.30285	5.6
69.95273	12.2
69.95621	10.1
72.99541	5.8
76.13523	6.7
76.79730	5.8
96.88316	6.6
98.22579	10.5
140.02048	60.0
141.99911	12.3
162.41441	6.2
184.01024	100.0
185.01190	10.5
188.31940	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77372	8.3
59.01378	35.6
69.86022	16.0
69.86366	19.9
71.01383	13.2
78.19395	6.8
78.95906	15.3
102.05637	9.1
110.98563	30.0
124.73607	7.7
140.02045	53.0
141.99992	28.4
142.96674	8.3
184.00134	63.6
184.01036	100.0
185.01019	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	185.0609
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.33918	0.2
50.49933	0.2
58.94285	0.2
59.01384	0.3
74.04196	0.2
74.69785	0.2
76.00957	0.2
76.79032	0.2
80.54992	0.2
89.79598	0.2
93.03481	0.7
98.21828	0.5
108.02185	100.0
109.02518	2.9
114.43837	0.2
123.66613	0.2
129.07065	0.3
131.05095	0.3
132.06308	0.2
138.44257	0.2
141.07079	0.3
157.06584	2.4
181.06821	0.2
184.05328	1.1
185.06099	26.1
185.11835	0.6
186.06418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1185
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
51.88378	0.6
54.19102	0.6
57.03447	1.2
59.01387	5.1
69.22215	0.8
71.01383	1.4
71.05040	1.7
83.05044	1.6
109.06602	1.9
111.08192	0.8
116.77921	0.8
127.07669	5.0
137.09758	1.2
137.95076	0.8
139.11301	13.3
141.09238	0.7
155.10776	1.8
156.89946	0.7
167.10785	3.3
185.02493	4.6
185.11848	100.0
186.12215	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	187.0978
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03463	3.4
59.01383	1.7
71.40522	0.6
75.23680	0.5
87.90894	0.6
95.04986	0.5
97.06593	13.8
116.04340	0.5
123.08190	5.7
125.09739	100.0
126.10043	4.0
143.10776	2.3
145.08725	1.5
159.04454	0.6
169.08713	2.1
171.08162	0.7
187.03975	0.7
187.09778	41.2
187.11243	2.0
188.10098	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	188.0355
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
50.18420	0.2
55.22231	0.2
59.01385	1.3
61.98829	0.9
69.59521	0.4
69.59893	0.6
72.01307	0.2
99.92579	0.4
102.03520	0.6
111.04572	0.2
116.05063	0.3
119.05113	0.2
126.10122	0.2
127.07648	0.6
129.05603	0.7
141.86845	3.8
143.03978	0.4
143.05023	2.4
144.04565	100.0
145.04907	4.3
146.03767	0.3
147.03291	0.2
159.03285	0.3
159.04518	0.7
159.87866	1.4
160.04085	0.3
161.06104	2.1
171.04576	1.5
172.05350	0.3
174.03230	0.5
188.03494	2.5
188.04793	0.3
188.85379	0.2
189.05574	3.5
189.07309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.077
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.03460	2.7
59.01378	2.7
61.41422	0.3
83.05055	0.6
85.06596	0.5
99.08168	24.4
100.08537	0.6
101.06119	0.6
113.07744	0.3
114.86959	0.4
127.07675	26.7
128.08005	1.0
129.05598	100.0
130.05939	3.4
132.24117	0.4
143.07147	0.5
145.08722	3.7
166.19522	0.4
171.06662	4.8
189.07710	35.6
190.08058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	7.0
59.01384	5.5
67.01896	3.3
71.01380	1.8
72.99283	0.7
73.02945	1.3
76.76031	0.5
83.05087	0.6
84.90513	0.6
85.02958	41.1
87.00882	52.1
88.01206	0.9
93.03477	3.5
99.00905	1.8
99.70404	0.6
101.02438	0.8
103.04087	0.8
109.02929	1.0
110.86369	0.6
111.00891	100.0
111.04512	1.1
112.01234	2.2
112.98785	0.8
118.99351	0.9
127.04037	2.5
129.01949	7.7
133.18745	0.6
133.27994	0.6
147.04565	1.0
154.99786	0.8
163.03941	0.8
165.67630	0.5
171.84818	0.7
173.00912	1.5
173.04584	1.0
176.01149	1.2
191.02039	9.6
191.05624	43.4
191.10709	1.3
192.05933	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Pisonin F
Peak:m/z	Relative Intensity
54.89050	0.3
61.75353	0.4
67.01875	0.4
70.07445	1.1
72.94743	0.3
77.03976	0.3
85.02968	1.7
87.00887	1.5
89.35862	0.3
98.22045	0.5
109.02994	0.3
111.00901	3.5
119.05037	1.1
121.02969	100.0
122.03304	2.8
147.04550	5.5
161.00282	0.3
163.00368	0.5
173.87039	0.3
176.01094	0.7
191.03534	6.2
191.05626	3.6
212.16426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03436	0.6
59.01381	4.4
59.45685	0.2
60.99317	0.4
67.01881	1.0
69.03458	0.8
70.47440	0.5
71.01389	2.3
72.99317	0.3
73.02942	1.1
81.03472	1.1
83.01366	0.3
83.05043	1.2
85.02959	24.5
86.03274	0.4
87.00889	5.7
88.01231	0.3
93.03468	8.1
94.03810	0.2
97.02949	0.2
99.00885	0.6
99.04528	1.0
104.99811	0.2
109.02963	2.1
111.00887	1.0
111.04540	2.6
113.02480	0.5
117.25298	0.2
127.04031	5.9
129.01805	0.3
137.02533	0.3
148.94960	0.4
155.03511	0.3
159.60373	0.2
171.02940	1.3
173.04549	2.6
191.05627	100.0
192.05988	3.8
202.19635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0305
Annotation	(2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
51.93549	0.9
59.01393	1.9
62.16172	1.0
64.01928	8.6
65.99844	1.6
69.41376	3.5
69.41778	2.1
71.01387	2.2
72.50023	1.1
75.28942	0.9
77.03947	1.1
83.56828	1.1
85.02946	1.2
86.03287	1.3
88.01243	1.6
89.03976	1.4
90.03510	2.0
92.05065	11.9
93.03471	5.7
94.02987	6.6
95.01389	1.5
95.21298	1.0
96.04565	4.3
101.02406	1.5
104.05058	1.9
105.03471	3.2
106.03014	9.0
107.03763	2.3
108.04572	6.4
111.00905	1.9
112.01235	1.7
117.03469	2.6
118.02998	13.1
120.04572	26.0
121.02975	14.6
133.03012	2.0
134.02716	2.3
134.03760	46.2
135.03288	3.6
136.04063	41.1
137.02461	4.1
137.04453	1.3
139.04036	1.5
140.03568	6.7
146.02499	68.7
147.00920	1.4
147.03169	4.0
148.01657	3.2
148.04063	33.0
148.05235	1.8
149.01213	3.2
149.02457	11.8
149.04407	1.7
149.06085	3.8
150.02007	18.7
150.94835	2.8
161.02443	2.9
162.01996	2.0
163.02783	18.8
164.03563	30.3
165.01955	1.5
174.01991	55.1
175.00362	2.2
175.02353	2.2
178.02748	10.4
191.02426	1.2
192.03056	100.0
192.06009	7.3
193.01512	2.2
193.03368	3.7
193.05081	14.1
193.06732	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0145
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
59.01389	4.2
63.02401	1.1
65.00325	1.1
65.03964	1.1
67.89405	0.6
69.52270	3.0
71.01386	3.1
73.02953	1.2
81.03462	1.3
85.02968	1.5
86.84647	0.7
89.19848	0.8
93.03473	25.8
95.01389	6.3
95.05040	3.0
96.71628	0.8
97.02982	0.8
101.02449	3.0
105.03475	9.5
107.01455	1.2
109.03052	1.6
117.42912	0.9
121.02972	100.0
122.03255	3.9
123.00887	2.3
123.04535	1.2
134.03763	25.3
135.04253	0.8
136.01674	1.0
137.02463	24.2
139.04015	1.9
147.00909	1.4
149.02461	11.3
149.06096	3.8
150.03271	1.4
150.94806	8.1
151.00359	2.2
165.01924	2.0
178.02727	15.5
179.02144	1.5
185.47897	0.7
192.95877	3.9
193.01440	17.0
193.05025	8.8
193.07072	1.8
193.08687	1.6
193.12341	1.0
194.04530	0.9
194.08145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0142
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
51.02406	0.5
59.01367	0.5
60.01457	0.3
63.02390	0.7
65.00329	0.9
65.03975	1.0
67.01910	0.8
68.99824	5.2
71.01380	0.8
73.03000	0.5
77.03967	4.3
79.01894	1.4
81.03487	2.2
85.02940	0.5
88.19170	0.4
93.03474	18.2
95.01391	0.9
95.05049	3.7
101.02450	0.7
105.03485	7.6
106.04272	1.1
109.02989	1.1
111.00908	1.4
115.13518	0.4
121.02974	100.0
122.03287	2.9
123.04536	1.7
133.02992	5.7
134.03761	90.2
135.04094	2.9
135.49527	0.4
137.02463	24.2
138.02837	1.0
139.04039	6.3
142.80460	0.4
148.01695	4.5
149.02469	43.4
149.06104	18.0
150.03253	2.2
155.27100	0.4
158.96309	0.4
161.02481	0.8
165.00415	0.7
165.01949	7.0
178.02736	50.4
179.03067	1.4
192.99641	1.9
193.01398	10.1
193.05074	21.1
193.06770	1.2
193.12466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.8
59.01377	0.5
59.31708	0.3
68.99847	0.4
70.58711	0.4
70.79536	0.3
71.01389	0.5
81.03481	0.3
85.02940	0.4
87.00921	0.4
89.03977	3.5
93.03480	1.3
101.02464	0.4
106.04285	1.0
109.03006	0.4
111.00924	0.3
116.12028	0.3
117.03481	6.5
121.02963	5.8
133.02994	2.7
134.03761	100.0
135.04095	3.0
137.02458	5.7
139.04039	1.5
148.01654	0.4
149.02448	2.2
149.06099	9.1
150.03209	1.1
150.94881	0.6
165.01968	0.5
178.02739	25.7
179.03029	1.1
193.01460	0.6
193.05078	13.8
193.06789	0.6
194.05455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99826	0.4
68.99794	0.9
71.01366	0.4
71.42609	0.4
73.02904	0.4
77.03995	1.0
86.96878	0.4
93.03461	3.6
95.60993	0.4
101.02451	0.6
103.30977	0.4
105.03471	1.2
106.04257	1.4
109.02966	0.5
111.00866	1.0
117.03496	0.7
121.02966	17.3
133.02979	6.0
134.03754	100.0
135.04063	3.2
137.02460	12.2
138.02724	0.5
139.04012	5.0
148.01675	0.6
149.02473	6.4
149.06094	18.6
150.03214	1.8
150.06450	0.7
161.02669	0.4
165.01949	1.2
178.02727	57.8
179.03082	1.5
184.50571	0.4
192.99585	1.2
193.01433	2.0
193.05069	20.5
193.06648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69379	0.3
59.01385	0.6
69.28301	1.6
72.65366	0.3
73.02955	0.5
89.03974	3.4
93.03488	0.6
105.03410	0.3
106.04240	1.0
112.26983	0.3
117.03473	5.5
121.02959	2.5
123.71535	0.3
129.89250	0.4
133.02956	1.3
134.03754	100.0
135.04085	3.7
136.01637	0.4
137.02452	2.3
139.04059	0.8
149.02452	1.2
149.06091	5.0
149.67250	0.4
178.02740	9.9
193.01436	0.9
193.05080	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	193.0507
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
52.78741	0.2
56.11740	0.2
59.01418	0.2
70.17336	0.5
93.03477	0.6
94.97758	0.2
98.21912	0.2
105.03483	0.3
106.04257	0.7
108.02241	0.4
109.03000	0.3
111.00887	0.3
121.02971	3.0
123.04542	0.2
132.02199	0.3
133.02971	21.9
134.03758	36.1
135.04085	1.2
136.01672	0.3
137.02460	10.6
138.02809	0.2
139.04025	3.0
149.02455	0.8
149.06093	0.7
150.03255	1.1
161.02461	31.2
162.02794	1.6
165.01949	0.4
178.02744	5.5
193.05074	100.0
194.05423	4.6
197.37730	0.2
202.55489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0301
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
53.17546	0.8
59.01381	6.9
61.98835	7.3
69.22001	2.4
69.22408	2.8
72.99308	1.7
75.00889	1.3
78.95912	13.9
84.83139	0.9
93.03468	1.5
95.01397	4.8
96.96021	2.2
97.02966	0.9
106.97352	0.8
107.65876	1.0
108.02175	1.5
109.02971	2.2
110.93483	1.6
121.02973	2.0
123.00905	100.0
123.04501	3.0
124.01680	85.4
132.86766	0.9
133.02971	1.3
135.00887	1.8
137.02458	3.3
149.02463	2.1
150.03224	3.7
151.03995	5.0
152.01169	77.3
152.91783	36.6
152.93042	1.0
152.94496	7.6
153.01625	1.8
158.84663	1.1
160.84235	79.4
165.01889	1.5
165.05577	1.8
167.03511	70.6
167.90498	13.1
168.03839	2.4
170.92848	1.8
177.01938	2.0
180.00694	9.2
180.04356	2.5
181.00204	3.2
181.49146	0.9
194.92776	15.6
194.95639	3.7
195.02997	59.3
195.13860	1.3
195.81117	27.7
196.03362	1.7
212.93820	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	195.03
Annotation	3-(3,4-Dihydroxyphenyl)pyruvate
Peak:m/z	Relative Intensity
58.33312	0.2
59.01384	1.9
65.03956	0.7
69.03464	0.4
71.01367	0.6
75.00488	0.4
75.00880	4.5
77.03965	0.6
78.90765	0.3
81.03476	1.7
82.05759	0.3
82.45686	0.3
83.86066	0.3
85.02956	0.4
89.02461	0.3
93.03452	1.3
95.01405	0.5
95.05026	1.1
96.96007	0.5
98.22657	0.6
99.00897	0.4
104.24148	0.3
105.03477	2.5
107.05054	1.2
108.02174	2.9
109.02972	7.6
119.05063	0.4
121.02966	2.1
122.03770	2.2
122.37199	0.3
122.99998	0.4
123.00902	8.9
123.04537	9.9
124.01678	28.8
125.02414	1.3
129.01965	1.2
133.02974	16.0
133.04004	0.8
134.03333	1.0
135.00923	0.3
135.04544	1.0
136.01570	0.3
136.05310	2.5
137.02443	0.8
139.04008	2.2
149.02466	2.6
150.03258	1.9
151.04024	6.8
152.01167	100.0
152.91768	2.2
152.94502	0.5
153.01500	3.2
160.84248	1.1
164.01173	1.7
165.01941	1.1
165.05574	0.5
167.90501	0.9
176.89651	0.4
177.01924	2.6
180.00656	11.4
180.04224	0.9
181.00148	0.4
194.90663	0.4
194.92833	0.7
195.03023	17.1
195.05043	2.2
195.06680	1.5
196.03362	0.7
211.07747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.03
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44855	0.3
59.01380	1.7
61.51965	0.3
65.00317	0.3
69.67043	1.1
71.01373	0.5
72.99316	0.4
75.00880	3.0
78.95890	0.3
79.01894	0.4
81.03475	0.4
84.37247	0.3
87.00877	0.4
93.03472	0.4
95.01404	0.8
95.05048	0.6
99.00910	0.4
105.03475	1.3
107.01396	0.6
107.04996	0.3
108.02191	2.8
109.02950	2.2
111.00909	0.5
112.45388	0.3
121.02988	0.7
122.03748	0.8
123.00899	9.0
123.04538	4.9
123.05405	0.5
124.01681	26.5
125.02528	0.6
129.01961	0.6
133.02979	7.7
135.00903	0.8
135.04550	0.5
135.18639	0.3
136.01677	1.7
136.04260	0.3
136.05324	1.3
137.02446	1.5
139.00429	0.4
139.04028	0.8
149.02499	1.3
150.03256	2.3
151.00427	0.4
151.04063	2.4
152.01172	100.0
152.91800	2.5
152.94571	0.6
153.01511	3.0
163.00398	3.5
164.01176	19.2
165.01941	0.8
165.05559	0.9
167.03477	0.6
167.90501	0.6
176.89632	0.4
177.02014	0.7
180.00659	11.8
180.04279	1.0
181.01352	0.9
194.90625	1.0
194.92856	1.0
195.03021	17.8
195.05038	1.9
195.06715	1.0
195.08197	0.6
195.10262	0.3
195.13933	0.4
196.03534	0.5
199.02347	0.3
211.07643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0299
Annotation	3-(3,4-Dihydroxyphenyl)pyruvate
Peak:m/z	Relative Intensity
51.53608	0.2
53.21111	0.3
57.28242	0.2
63.02413	0.7
64.49661	0.3
65.00333	0.4
66.71029	0.2
69.40423	1.0
81.03477	0.4
91.01929	0.5
93.03522	0.3
105.03492	0.3
107.01399	24.4
108.01633	0.5
108.02258	0.6
109.02974	0.3
121.03031	0.3
121.14082	0.3
122.03733	0.5
123.04548	2.4
124.01688	0.9
133.02980	0.6
135.00900	9.8
135.01932	0.5
136.01646	0.8
137.02455	2.6
139.04045	0.8
141.97798	0.3
151.04051	1.2
152.01178	4.4
163.00394	100.0
164.01170	17.8
165.01982	1.8
194.79147	0.3
195.03001	24.3
196.03313	0.9
211.82423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0511
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
56.72808	1.1
57.03441	3.7
59.01386	27.2
65.77575	1.0
71.01380	9.2
71.38713	1.2
72.99306	3.8
75.00878	100.0
85.02950	9.4
87.00880	12.1
89.02458	9.7
89.06907	1.4
99.00885	11.1
101.02448	2.1
105.01934	2.3
111.00892	3.3
129.01955	32.3
141.01962	4.3
159.03004	14.6
172.76080	1.1
177.04027	6.3
195.05119	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	Methyl veratrate
Peak:m/z	Relative Intensity
50.86322	0.4
59.01383	9.5
71.05029	0.8
71.20660	0.5
81.80203	0.5
93.03468	0.9
104.02727	0.6
105.03462	0.5
107.01402	10.5
108.02193	5.3
117.03223	0.4
119.05033	11.1
120.05390	0.4
121.02968	30.2
123.00848	1.1
123.04549	4.1
124.01693	2.9
133.02974	1.4
134.03735	1.9
135.00896	2.9
135.04539	24.3
136.05313	100.0
137.02466	1.4
137.05626	2.4
150.03233	2.0
151.04045	3.4
151.07634	2.8
152.01181	2.1
162.03259	0.7
163.00385	37.9
164.01187	7.0
165.05609	0.9
177.05583	1.8
195.02997	12.5
195.06636	52.5
196.06937	2.8
197.50751	0.6
198.13858	0.5
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	Unknow
Peak:m/z	Relative Intensity
53.01263	0.2
58.00599	0.6
59.98529	0.5
63.04845	0.3
63.44833	0.3
70.68292	0.5
81.28342	0.3
83.02371	0.3
84.89176	0.3
93.03468	9.7
94.03818	0.3
95.01381	0.5
95.05009	0.5
102.56998	0.3
107.05026	0.5
108.02158	1.9
109.02940	1.5
120.02176	2.2
121.02972	12.9
123.00948	0.6
123.04539	0.3
124.01674	1.0
131.01407	0.3
133.02969	1.2
134.03752	0.8
135.04541	8.5
136.01686	1.0
137.02449	12.5
138.03271	0.6
139.04028	49.8
140.04410	1.4
144.88431	0.3
148.01683	16.3
149.02109	0.6
150.03229	5.3
151.03816	0.3
152.01152	2.7
152.91806	0.7
163.04016	0.4
165.01944	100.0
165.05553	1.8
166.02280	3.6
166.62486	0.2
175.39055	0.3
178.05592	0.3
180.04295	49.5
181.04695	1.4
195.02989	2.2
195.04567	0.3
195.04890	0.3
195.06631	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	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.77791	0.2
61.98829	0.4
62.49048	0.2
69.86215	0.7
71.51331	0.2
83.05005	0.2
94.44526	0.2
109.06604	4.8
111.07484	0.3
111.08181	3.6
119.32082	0.2
120.38746	0.2
122.03777	0.6
123.00869	0.4
125.09760	1.1
135.11810	0.7
138.06879	3.3
139.07721	0.3
151.11295	0.7
152.91743	0.3
160.84232	18.5
167.14430	7.6
168.14745	0.5
176.89459	0.2
179.10797	5.1
180.11417	0.6
181.00063	0.2
184.12865	0.2
194.90471	0.3
195.13922	100.0
195.81122	11.0
196.14252	4.7
208.74751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.21751	0.5
59.01386	5.4
68.96434	0.5
69.74113	1.6
75.00892	0.5
83.05030	0.7
90.48412	0.5
108.02193	1.0
111.06869	0.6
116.60231	0.5
116.92867	0.7
120.37339	0.5
123.00887	1.8
123.04541	0.9
124.01670	1.2
125.24767	0.6
141.84247	0.5
150.03242	1.6
151.03996	0.9
152.01195	2.8
152.91847	3.0
152.94508	0.8
153.01886	0.8
160.84250	2.7
165.05539	0.6
167.03522	0.8
167.90453	1.3
168.94545	0.6
176.89519	2.6
177.12856	3.7
180.02707	0.8
180.04318	1.1
181.00267	0.8
186.26425	0.5
194.90598	5.9
194.92863	0.8
194.95805	0.7
195.02988	2.8
195.04544	0.9
195.13927	100.0
195.81262	0.7
195.90611	1.0
196.14291	4.7
200.46835	0.5
207.33733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27752	0.2
61.98826	0.5
70.00600	0.7
70.38705	0.5
71.72007	0.2
72.99316	2.0
83.01366	0.3
93.03460	0.4
95.01382	0.6
97.63654	0.3
108.02187	12.6
109.02989	0.7
111.00880	1.5
121.02961	0.8
123.00904	2.6
123.04541	2.0
124.01708	1.9
125.02506	2.0
135.00899	0.7
135.04565	1.6
136.01675	8.6
137.02467	6.3
138.03252	0.7
139.00455	1.5
139.04036	0.4
151.00385	0.8
152.01170	5.9
153.01964	6.6
160.84236	10.8
163.00406	9.1
163.08359	0.3
164.01173	100.0
164.30515	0.2
165.01506	3.7
166.99928	0.5
179.03561	0.6
181.01483	3.6
182.02228	5.0
183.16287	0.2
195.81111	5.4
196.03687	1.5
197.04645	1.3
219.96651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.7
63.02392	0.4
69.31200	0.3
69.94642	0.2
70.00602	0.5
70.37174	0.6
72.98905	0.3
72.99315	5.7
73.85811	0.2
74.18476	0.2
76.25514	0.2
77.83595	0.2
81.03474	0.3
93.03461	0.5
95.01395	1.0
102.50532	0.2
107.01438	0.3
108.02189	10.5
108.82732	0.3
109.02978	0.7
111.00891	1.2
121.03004	1.6
122.03777	0.3
123.00904	3.0
123.04543	5.0
123.05444	0.2
124.01724	2.3
125.02427	1.6
134.03639	0.3
135.00896	0.9
135.04532	5.2
136.01686	7.4
137.02473	5.8
138.03189	0.8
139.00420	1.5
139.04021	0.6
150.03197	0.3
151.00392	0.9
151.99954	0.4
152.01178	7.2
153.01624	8.4
153.05571	0.5
154.01524	0.4
160.84232	4.0
162.99019	0.5
163.00394	7.9
164.01173	100.0
165.01498	4.2
166.99861	0.7
179.03493	2.6
180.99982	0.4
181.01468	3.9
182.02237	6.5
195.81102	1.2
196.03670	2.6
197.04555	2.2
205.77155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21369	0.5
63.11874	0.5
72.39462	0.5
72.99316	100.0
73.99674	0.7
81.03462	0.6
89.03981	0.5
91.05564	1.2
93.03466	1.5
95.05035	2.1
98.22709	1.4
102.64058	0.6
107.05054	4.6
109.02953	4.1
117.03503	0.9
122.03754	2.0
123.04541	66.0
124.04868	1.4
131.74785	0.5
134.03763	9.9
135.04543	93.2
136.04865	2.5
151.04039	3.0
179.03517	43.7
180.03891	1.2
182.02245	0.6
193.02148	0.6
197.04594	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	197.0456
Annotation	3-(3,4-Dihydroxyphenyl)lactate
Peak:m/z	Relative Intensity
57.95252	1.3
59.02042	1.3
69.28699	5.2
70.51125	1.1
72.99317	100.0
91.05538	1.6
93.03494	1.5
95.05023	1.5
97.88119	1.2
98.22615	2.5
103.60641	1.1
107.05020	4.2
109.02943	3.9
122.03759	1.9
123.04537	73.5
124.04850	2.7
134.03777	7.5
135.04543	96.0
136.04878	3.6
151.03983	3.7
168.61710	1.2
179.03523	41.5
180.03809	2.1
197.04602	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	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74406	0.8
68.44920	0.7
69.21368	1.2
69.21774	3.4
72.99316	100.0
73.99683	1.1
78.05794	0.8
81.03471	0.8
81.08249	0.7
91.05550	1.3
93.03470	1.3
95.01442	0.9
95.05025	1.5
107.05050	4.4
109.02960	4.7
117.03452	0.9
122.03756	2.3
123.00895	3.2
123.04540	65.9
124.04876	1.7
134.03761	10.5
135.04543	86.3
136.04881	3.2
151.04030	3.5
166.99852	1.8
167.99490	1.1
176.50925	0.7
179.03519	38.9
180.03867	1.7
182.02246	3.6
197.04570	10.8
203.37061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0457
Annotation	3-(3,4-Dihydroxyphenyl)lactate
Peak:m/z	Relative Intensity
59.54419	0.7
68.95336	0.7
69.24091	4.3
72.99315	10.4
74.14386	0.8
78.01090	1.2
89.00357	1.2
91.01916	1.1
95.01406	17.0
98.21810	1.3
99.37065	0.8
105.38171	0.7
106.00613	2.4
121.02155	1.3
121.02978	17.3
123.00903	74.1
123.04536	7.0
124.01255	1.7
134.03716	1.0
135.04553	12.2
137.02451	0.9
138.03253	18.0
139.00365	0.7
147.91801	0.8
153.05592	14.2
166.99886	56.1
168.00220	1.2
179.03513	4.3
181.01488	1.2
182.02234	100.0
183.02531	3.3
197.04573	22.8
197.06355	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	3-(3,4-Dihydroxyphenyl)lactate
Peak:m/z	Relative Intensity
64.26926	1.0
69.29081	1.2
72.28378	0.9
72.99316	100.0
91.05556	1.2
93.03462	2.0
95.05036	1.3
107.05036	3.6
109.02970	4.0
122.03718	1.5
123.04534	59.6
124.04869	1.2
126.22820	1.0
134.03752	7.7
135.04541	84.8
136.04897	2.3
145.03822	0.9
151.04028	1.5
179.03526	39.6
180.03867	1.4
197.04575	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	197.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48675	1.7
72.99316	100.0
73.99669	0.8
75.73512	0.4
75.74327	0.4
81.03471	0.8
87.50174	0.4
90.67196	0.5
90.84902	0.4
91.05560	1.3
93.03491	1.0
95.05046	2.0
98.22703	0.4
105.03470	0.5
107.05038	3.2
108.02188	1.1
109.02980	3.5
117.03495	0.9
121.02983	0.5
122.03764	2.3
123.04539	62.8
124.04879	1.6
134.03755	8.5
135.04539	89.4
136.04860	2.7
151.04044	2.9
165.56538	0.4
179.03513	41.1
180.03860	1.6
197.04573	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	197.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70917	0.7
50.76247	0.7
72.99317	100.0
73.99670	0.9
79.05550	1.0
81.03467	1.0
91.05529	0.9
93.03458	1.2
95.01356	0.7
95.05022	1.8
96.59531	0.7
98.22705	1.4
103.46721	0.8
107.05037	2.6
108.02171	0.8
109.02999	3.9
117.03526	1.0
122.03748	1.7
123.04543	62.3
124.04865	2.6
126.74395	0.7
134.03749	7.4
135.04544	84.0
136.04860	2.3
150.03311	0.7
151.04033	2.4
153.05605	0.8
155.82866	0.6
168.71013	0.7
179.03519	42.6
180.03894	2.0
182.02280	1.1
197.04591	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	197.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45894	0.9
70.72203	1.3
72.99315	100.0
73.04159	0.9
73.99661	1.2
91.05592	1.1
95.01441	1.4
95.05053	1.7
107.05039	3.5
109.02980	4.1
123.00914	2.7
123.04534	59.3
124.04858	2.2
134.03749	9.5
135.04543	86.9
136.04872	2.4
151.03957	2.4
166.99889	1.4
167.99405	1.2
179.03517	38.5
182.02228	2.3
183.01822	1.4
196.89587	1.8
197.04568	11.2
213.49248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.49633	0.8
69.03454	2.0
69.70840	2.0
69.71226	1.5
72.99316	11.3
83.05023	1.3
95.01392	2.4
97.15140	0.7
98.13734	0.9
109.02979	1.5
112.01706	1.6
116.92896	4.8
121.02938	1.1
123.00897	8.4
123.04528	7.2
126.90522	2.6
134.03712	0.9
135.04558	9.7
138.03229	2.7
141.09267	1.4
151.11227	1.0
153.01932	0.9
153.05611	2.3
153.09238	1.0
153.12820	5.1
157.55447	0.9
160.84244	6.9
162.83926	23.2
166.99860	5.6
167.99399	8.0
169.10938	0.6
169.12346	16.5
170.12782	1.0
179.03525	5.1
179.10777	1.3
182.02220	13.4
183.01691	9.3
186.21658	0.8
194.61584	0.8
197.02112	1.3
197.04594	5.3
197.11847	100.0
197.80794	7.1
198.04057	2.0
198.12228	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.66888	0.6
57.03425	0.5
57.16924	0.5
69.03465	1.0
69.66388	2.0
72.99322	7.7
79.72264	0.5
82.16374	0.5
83.05036	0.8
95.01398	2.1
95.05061	0.6
97.06597	16.4
98.21897	1.0
99.08159	4.6
107.06157	0.6
109.03007	1.1
109.06596	0.7
111.08113	0.5
112.01696	0.6
116.92869	2.0
121.02973	1.3
122.03773	3.2
123.00912	8.0
123.04555	5.8
125.09746	1.2
126.03246	1.1
126.90531	1.8
134.03761	0.9
135.04539	7.0
137.09734	1.7
138.03236	2.0
148.21680	0.5
151.11327	1.4
153.05670	1.4
153.12872	100.0
154.13206	4.7
160.84248	4.1
162.61359	0.7
162.83922	9.7
166.99890	5.9
167.99387	5.3
179.03522	3.6
179.10791	22.2
182.02214	11.8
183.01686	5.7
197.02068	1.9
197.04582	4.1
197.11823	6.7
197.15344	0.6
197.80777	5.2
198.04083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1502
Annotation	Kinabalurine G
Peak:m/z	Relative Intensity
61.98825	5.7
61.99107	1.2
66.03502	3.2
69.62284	1.4
72.99308	2.9
73.02958	1.3
73.99672	1.2
82.06625	9.5
100.07680	2.2
111.00881	1.6
113.73512	1.5
127.93176	4.9
134.29785	1.4
136.04909	2.6
138.05602	1.5
148.31750	1.3
153.95862	1.2
154.95483	3.8
160.84248	17.5
162.83926	51.9
165.33881	1.2
167.99388	35.2
170.15540	31.9
180.03989	1.7
180.45969	1.2
183.01703	33.9
197.80823	26.0
198.04099	8.7
198.15013	100.0
199.13387	3.8
199.15385	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	199.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16277	2.9
74.99755	0.5
77.96088	0.4
98.21907	1.0
99.00870	1.3
99.04531	100.0
100.04859	2.3
127.93174	1.6
139.93134	0.6
154.95547	1.6
199.13489	1.0
208.08336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18861	0.3
59.01386	100.0
60.01723	0.6
67.10910	0.3
69.12678	1.9
94.66072	0.3
98.21895	0.8
101.12300	0.3
101.24200	0.3
115.02506	0.4
157.03581	6.1
159.01541	2.2
201.02574	11.1
202.02701	0.7
204.78613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01730	0.8
69.55714	1.1
69.56062	0.4
92.89343	0.3
98.21895	0.3
98.87759	0.3
109.35303	0.3
140.18776	0.3
153.00641	0.3
157.03577	6.1
158.03796	0.3
158.11668	0.3
159.01523	1.9
200.98621	0.4
201.02571	9.3
202.02829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01719	0.6
69.59917	0.9
111.92561	0.3
113.04621	0.3
157.03580	5.5
158.03781	0.6
159.01508	1.9
201.02554	9.0
201.85350	0.3
202.02818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35747	0.3
54.32969	0.3
59.01384	100.0
60.01706	0.6
66.57368	0.3
71.01040	0.6
73.22394	0.3
77.04558	0.3
78.22285	0.3
82.58605	0.3
84.91893	0.3
89.20108	0.3
99.50783	0.3
101.02415	0.4
103.04031	0.4
113.04621	0.4
115.02541	0.4
123.54381	0.3
157.03575	5.4
159.01508	2.0
201.02554	9.4
202.02736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44233	0.3
56.36000	0.2
59.01384	100.0
60.01719	1.0
62.80389	0.3
64.32033	0.2
72.53967	0.2
73.35156	0.2
98.22605	0.7
98.41024	0.2
113.04598	0.6
115.02542	0.4
134.83519	0.2
136.93987	0.2
157.03592	6.4
157.04893	0.4
158.03711	0.4
159.01515	2.0
193.97461	0.2
201.02577	10.5
201.52812	0.2
202.02705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0352
Annotation	Droserone
Peak:m/z	Relative Intensity
55.45386	0.4
59.01395	0.6
59.23346	0.4
68.99835	0.9
71.43733	0.5
77.76876	0.4
83.25864	0.5
92.49274	0.5
93.03474	0.7
101.03995	1.2
103.05566	1.0
117.03491	1.5
119.05039	16.9
120.05421	0.5
123.04514	0.9
123.34447	0.4
129.03484	12.4
130.04277	3.6
131.05045	4.2
133.02979	1.8
134.03719	0.5
145.02975	7.0
146.03746	4.4
147.04544	52.6
148.04874	1.7
157.02971	1.4
158.03746	4.5
159.04547	2.7
161.02510	1.2
168.97470	0.4
173.02473	0.9
174.03255	12.9
175.04024	100.0
176.04350	3.8
181.56798	0.5
182.76222	0.5
203.03523	70.3
204.03888	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0352
Annotation	1,2-Dihydroxy-8-carboxynaphthalene
Peak:m/z	Relative Intensity
52.33561	0.4
59.01396	0.8
67.42305	0.3
70.75096	0.3
71.42818	0.4
80.73774	0.4
91.05574	0.4
97.03029	0.4
101.03976	1.0
103.05576	0.6
117.03510	0.4
117.59998	0.4
119.05046	16.5
120.05364	0.5
129.03491	8.9
130.04268	5.0
131.05031	1.2
133.02957	0.6
137.27939	0.3
145.02977	2.1
146.03752	4.8
147.04543	31.9
148.04819	1.6
157.02948	1.6
158.03734	4.3
159.04457	0.7
161.02402	0.5
173.02444	1.1
174.01717	0.7
174.03244	14.7
175.04024	100.0
176.04378	4.8
202.02827	0.9
203.03525	63.2
204.03870	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0828
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
51.10978	0.6
57.04220	0.7
59.01388	13.4
61.01804	0.8
70.93031	1.2
72.00918	16.4
74.02480	37.6
87.88016	0.7
87.92549	0.6
110.23804	0.6
116.05076	100.0
116.10995	0.6
117.05408	2.8
118.68935	0.7
123.10186	0.7
129.05894	1.2
130.06612	3.1
142.06630	25.8
143.06973	1.7
148.95442	1.1
157.07718	0.9
159.09296	15.8
160.97777	1.1
161.04691	0.9
174.99278	4.3
186.05612	3.2
202.98779	1.3
203.08278	51.6
204.08530	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	205.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
60.38668	0.4
65.01456	2.6
66.27173	0.4
67.03017	5.3
69.11573	2.1
69.11991	0.9
71.01370	0.7
71.55006	0.4
72.99288	0.4
92.02560	4.2
93.03463	1.8
98.22627	1.1
105.22720	0.4
106.04262	0.7
107.47461	0.5
108.63021	0.5
110.10939	0.5
111.99601	2.7
115.00374	0.9
117.03477	15.8
118.04299	3.1
119.05034	11.5
121.02983	4.5
123.04514	1.8
129.01932	0.5
131.05043	1.7
132.05833	5.2
133.02986	5.5
133.06613	18.5
134.03761	1.3
135.04546	2.8
142.04111	3.8
145.02969	30.4
146.03297	0.6
147.04520	1.9
149.06088	1.8
151.00681	7.8
159.04521	1.1
161.02477	10.1
161.06110	22.8
162.03293	3.6
162.06445	0.6
163.11328	0.7
169.05196	5.1
169.65355	0.5
177.05591	1.8
178.01801	10.1
190.02759	1.3
205.02893	100.0
205.05013	5.1
205.12405	1.1
205.15958	2.5
206.03255	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23845	3.2
52.10775	3.2
55.01876	7.6
57.03453	5.8
57.42037	2.8
58.02979	7.1
59.01386	97.2
61.01807	5.4
61.33396	3.0
61.98833	13.0
67.45274	3.3
68.27989	3.1
68.99829	14.3
71.01388	83.7
72.99319	42.2
73.02955	15.6
75.00887	41.7
78.03482	3.3
83.01407	17.3
85.02959	13.6
87.00883	49.9
88.15913	3.0
89.02460	8.1
92.84344	3.1
93.52646	3.7
96.99339	8.0
98.00180	4.1
98.62424	3.2
99.00889	41.6
101.02482	15.8
103.00364	5.4
106.56118	3.6
111.00922	24.0
112.98831	9.5
115.00394	100.0
117.01941	24.8
117.03452	3.2
118.03347	11.7
118.04224	3.7
124.98818	8.5
127.00387	13.4
129.01968	15.1
133.01440	3.4
133.02924	5.1
133.06693	3.7
138.72859	3.4
142.99867	22.4
145.01437	17.8
145.02988	4.2
145.05182	3.8
150.98332	4.4
154.99936	12.6
161.02486	10.1
161.06117	6.2
173.00931	5.4
174.82449	3.5
175.02492	7.2
190.02739	5.3
205.07280	4.1
205.16066	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.4
57.03458	5.6
59.01381	100.0
60.01732	4.4
61.01809	22.4
61.31532	2.6
61.98832	57.5
67.01893	5.3
68.99818	8.5
69.03567	22.1
71.01385	73.7
72.33675	3.1
72.99307	42.5
73.02951	14.1
75.00872	36.1
83.01395	14.7
85.02960	9.4
87.00877	28.4
89.02441	11.7
90.57508	3.7
91.23679	3.0
94.95712	6.0
96.99307	6.1
99.00879	41.0
101.02454	11.0
111.00899	15.4
112.98820	27.1
115.00378	62.1
117.01946	8.7
118.03313	4.3
124.98818	10.0
127.00423	4.5
129.01929	19.1
133.02997	9.3
133.05046	4.2
142.99850	17.5
145.01434	12.8
154.99907	8.7
161.02470	15.6
173.00974	3.9
175.02533	5.0
187.89348	2.9
205.03027	8.5
205.15959	47.6
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	Unknow
Peak:m/z	Relative Intensity
57.61102	0.5
58.02963	1.4
59.01375	2.1
65.00341	0.5
65.01456	0.4
65.63132	0.4
67.03004	1.1
70.02971	0.7
71.01379	1.4
72.99315	0.9
73.02965	0.5
73.03421	0.5
74.32505	0.4
75.00883	0.6
83.60174	0.4
87.00861	0.7
91.01908	10.3
91.05497	0.7
92.02608	0.8
93.03469	4.2
99.00895	0.6
103.01921	1.1
104.40284	0.5
106.04280	0.6
115.00382	1.1
117.03482	14.3
118.04305	3.4
119.01403	27.6
119.05054	4.3
121.02962	6.1
123.04524	1.6
131.05038	2.6
132.05835	5.9
133.03000	3.0
133.06612	22.0
134.03790	0.7
145.02972	26.0
146.03464	0.9
147.00899	12.9
147.04510	3.3
149.06091	0.7
151.00780	0.7
159.04559	1.1
160.10129	0.5
161.02481	3.6
161.06099	23.6
162.03273	4.0
164.07187	3.3
165.01968	3.7
169.05365	0.7
175.00386	61.8
176.00722	1.8
177.05585	2.2
178.01775	1.2
180.41063	0.5
182.15228	0.5
189.01956	1.9
190.02740	100.0
191.03076	3.6
205.01060	0.7
205.02907	11.2
205.05081	22.3
205.15958	2.6
206.05406	0.9
206.08270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92392	0.3
71.41340	0.3
82.13883	0.4
105.03475	0.4
109.15289	0.3
117.03500	0.4
132.02173	1.2
133.02972	28.0
134.03326	0.5
135.04546	9.3
159.04495	0.4
161.02461	100.0
162.02808	3.0
163.04121	0.5
170.06256	0.3
177.05531	1.9
205.05049	5.1
205.16017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.93863	1.3
58.02983	35.4
59.01392	2.1
61.98820	2.7
70.02988	15.0
72.00914	7.3
84.47690	1.2
87.00895	3.3
91.05551	23.2
93.03474	6.9
135.04527	14.8
137.02457	5.4
144.99333	1.2
147.04543	38.4
147.05640	2.4
148.01624	1.4
148.04910	2.1
163.04089	2.1
164.07188	100.0
165.07512	3.3
177.02022	2.1
179.03531	4.8
181.29498	1.1
202.19240	1.3
206.04654	2.6
206.08258	33.7
206.16376	1.6
207.02956	2.3
207.06557	1.3
207.10387	1.6
221.66835	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94939	0.6
57.03423	0.5
68.99821	9.9
75.02406	2.6
79.01927	0.6
91.01885	1.5
92.02687	0.8
93.03491	0.9
97.85245	0.5
98.21796	1.1
103.01901	2.3
104.02727	0.8
105.03469	2.0
107.05054	1.9
108.02168	0.6
109.02964	11.6
119.01407	24.5
120.02166	2.1
121.02992	1.8
123.04529	0.7
131.01408	2.0
135.04543	1.4
137.02495	0.8
147.00902	25.2
148.01682	100.0
149.02455	4.7
151.04019	0.6
152.58934	0.5
163.00447	0.7
163.03999	1.2
175.00374	17.6
176.01083	1.4
177.01936	1.9
179.03514	57.6
180.03854	2.9
192.00630	1.5
192.04344	1.0
194.03824	0.6
207.03006	39.3
208.03470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0301
Annotation	Fraxetin
Peak:m/z	Relative Intensity
52.84063	0.6
56.25915	0.7
63.02394	1.5
65.00330	4.9
65.03963	3.9
68.99819	2.9
69.21916	3.2
73.29670	0.7
75.02409	6.6
81.03504	1.0
91.05539	9.0
93.03476	4.6
95.01377	1.2
95.05000	1.2
97.44761	0.8
103.01913	2.3
105.03458	3.1
106.04265	1.7
107.05029	12.7
109.02962	2.6
117.03480	3.0
119.01419	5.6
119.05039	2.8
120.02170	1.7
121.02951	3.3
123.04555	1.1
131.01408	16.3
133.02982	4.3
134.03749	23.0
135.04541	50.9
136.04843	1.8
137.77034	0.7
145.03049	0.9
147.00900	8.6
147.02985	0.9
148.01677	100.0
149.02318	3.5
149.55885	0.7
163.04018	8.5
175.00372	6.0
176.01106	1.3
177.01944	4.8
179.03514	11.3
192.00691	5.1
192.04314	1.7
203.52028	0.7
207.02995	52.2
208.03287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68589	0.3
68.99822	5.7
70.72529	0.6
75.02409	1.1
86.52031	0.3
90.33022	0.3
91.01914	1.1
93.03447	0.4
103.01886	0.8
104.02668	0.7
105.03526	0.9
107.05024	0.7
109.02956	5.9
119.01395	11.9
120.02166	1.4
121.02979	0.4
131.01399	1.3
132.21492	0.3
135.00865	0.4
135.04510	0.5
137.02414	0.4
147.00891	15.7
148.01675	100.0
149.02184	3.6
163.04033	1.3
175.00371	10.8
176.00914	0.7
177.01945	0.8
179.03506	33.5
180.03828	1.2
192.00645	2.3
207.02998	48.5
208.03281	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	207.03
Annotation	3-[(1-Carboxyvinyl)oxy]benzoate
Peak:m/z	Relative Intensity
58.00210	0.6
58.08079	0.6
59.01380	3.3
61.25890	0.6
65.03967	0.9
69.14880	4.3
87.00338	1.3
87.00884	32.1
93.03469	73.4
93.10106	0.6
94.03813	1.7
101.94964	0.7
109.19160	0.6
113.53105	0.7
119.05065	1.1
135.04543	100.0
136.04909	3.1
137.02461	61.4
137.54002	0.7
138.02797	1.4
143.04994	0.6
163.04089	0.7
179.03506	22.4
180.03905	1.0
207.01230	1.6
207.03062	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	207.03
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.3
64.62613	0.8
65.54578	0.9
67.25315	0.8
71.70455	0.8
73.29120	0.9
87.00888	42.2
92.02724	1.0
93.03468	89.4
94.03789	2.2
105.07958	0.9
119.05031	1.4
124.89941	1.0
135.04543	100.0
136.04839	2.9
137.02458	81.5
138.02806	2.3
159.78528	1.0
163.03996	1.6
179.03491	21.8
180.03857	1.1
207.02975	3.3
228.75728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
56.42471	0.4
57.03453	15.0
59.01383	1.1
69.03480	1.4
81.73786	0.4
95.05049	0.7
98.21799	1.0
106.04297	0.5
107.05049	0.9
109.02982	0.7
109.06592	3.2
113.49374	0.5
117.07124	1.7
119.01411	1.1
119.08700	1.9
121.06625	1.0
133.06609	1.1
135.04532	1.4
137.09763	5.0
139.07648	0.4
145.06606	13.3
147.00894	1.2
148.01671	4.5
163.07664	100.0
164.07974	4.0
165.12865	0.6
175.00465	0.8
177.02005	0.5
179.03450	3.2
189.12762	0.6
192.04407	0.7
192.11578	8.6
207.03148	2.1
207.06635	18.0
207.09993	0.7
207.13927	13.9
208.06902	0.7
208.14076	0.5
216.09334	0.5
220.24104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0665
Annotation	Ethyl caffeate
Peak:m/z	Relative Intensity
53.72802	0.3
53.80685	0.3
59.01379	0.5
62.34665	0.3
68.99821	0.7
70.88199	0.3
71.13271	0.4
73.63404	0.3
85.31523	0.3
85.65109	0.3
90.01606	0.3
91.01883	0.5
93.03461	0.5
93.81033	0.3
97.95161	0.3
104.07175	0.3
106.04239	0.6
107.05057	0.6
109.02979	0.9
109.06595	0.5
110.28049	0.3
119.01410	1.9
121.02969	1.4
132.02232	0.6
133.02974	17.2
134.03767	20.0
135.04544	54.9
136.04889	1.5
137.02454	6.9
139.04010	2.0
147.00888	2.9
148.01678	7.0
149.02402	0.6
150.03215	0.8
161.02464	28.0
162.02806	1.0
163.04094	0.4
168.26791	0.3
175.00369	1.3
177.01886	0.5
178.02734	2.7
179.03514	32.1
180.03888	1.1
191.95685	0.5
192.04272	0.6
207.03021	3.9
207.06641	100.0
208.06955	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	207.0664
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
59.01397	0.3
67.97293	0.2
69.10857	0.8
69.11271	0.5
77.03988	0.5
95.05063	0.5
97.02885	0.2
105.03467	5.4
105.46285	0.2
119.01388	0.4
127.81396	0.2
132.02174	0.3
133.02969	40.1
134.03302	1.0
147.00917	0.2
147.04510	0.3
148.01691	1.0
149.02452	2.0
151.04054	0.5
160.01659	0.4
164.04808	3.1
175.00417	0.2
177.01945	12.6
177.09106	0.2
178.02289	0.5
179.03474	0.6
192.04300	100.0
193.04633	3.9
207.03093	0.6
207.06636	15.4
207.13910	1.9
208.06952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1393
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol
Peak:m/z	Relative Intensity
59.01381	11.0
61.98305	7.2
61.98828	34.0
72.67401	7.3
76.89138	7.8
80.75806	7.1
91.01920	14.9
107.01378	9.5
109.02981	8.6
119.01340	15.4
124.48909	7.8
125.13641	8.8
129.05603	8.3
135.00887	23.5
147.00859	8.6
148.01703	21.9
161.02812	10.0
163.00414	14.9
163.14960	49.3
164.03638	8.8
170.47153	8.4
179.03580	11.3
207.02971	18.8
207.10471	9.3
207.13934	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	207.1391
Annotation	7,8-Dihydro-alpha-ionone
Peak:m/z	Relative Intensity
55.01862	1.1
57.03453	100.0
58.03794	1.2
59.01378	4.3
69.03465	6.6
69.33679	2.2
69.34084	2.9
71.05034	2.3
82.17912	1.0
91.01871	0.9
95.05055	1.9
97.02995	2.3
98.21884	2.0
106.04233	2.1
107.05094	1.1
109.02925	1.0
109.06592	15.2
109.07274	1.4
110.15883	0.8
111.08154	1.0
119.01374	2.4
119.05105	0.8
121.06617	6.7
123.08175	2.4
132.28346	1.1
133.06599	2.5
134.81493	0.9
135.04521	3.3
137.09732	28.2
139.07629	3.5
145.06612	0.9
147.00900	3.2
148.01691	10.5
149.09727	6.1
151.07655	2.1
151.11261	1.7
163.07683	7.2
165.12834	3.8
175.00401	2.3
177.01950	3.2
179.02124	1.3
179.03447	7.1
189.12863	4.3
192.00658	1.2
192.04269	3.3
192.11572	50.2
193.11826	2.2
207.03061	5.1
207.06674	2.5
207.13913	84.5
208.14256	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	209.0457
Annotation	Methyl haematommate
Peak:m/z	Relative Intensity
51.65759	0.3
59.01381	0.8
66.01103	0.4
69.38753	0.8
69.39166	0.6
86.53713	0.3
91.01906	0.8
93.03461	1.1
105.03471	0.5
120.02187	11.4
121.02969	100.0
122.03297	2.7
123.00877	0.4
136.01720	0.6
150.03218	0.5
151.02826	0.5
151.04010	1.2
161.02477	2.3
164.94034	0.4
176.04837	1.4
178.99892	0.6
179.03508	3.9
194.02208	1.2
194.05832	3.1
209.04524	8.2
209.08220	0.9
210.04915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
63.02406	1.0
64.95397	0.3
69.74823	1.1
85.02983	0.8
89.57993	0.3
91.01906	1.4
93.03471	0.7
95.01411	0.7
98.89732	0.3
99.02705	0.3
107.01416	1.1
111.00941	0.3
120.02193	9.2
121.02971	100.0
122.03256	2.3
123.00896	2.6
129.01935	0.4
136.01672	1.0
137.02443	0.5
139.03995	0.9
149.02429	1.7
150.03220	0.5
151.00392	4.9
151.02774	0.5
164.94113	0.4
165.01947	0.6
169.39142	0.3
178.99899	3.2
194.02225	5.3
208.99205	0.5
209.04495	9.5
209.11884	0.6
210.04909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02250	1.3
59.01368	2.1
61.98822	3.6
65.00336	1.6
69.06696	8.0
70.79701	1.0
82.48225	1.0
85.06548	1.1
92.99812	3.2
95.05038	2.1
96.95986	1.3
98.22751	2.0
102.42454	1.0
105.03471	9.3
109.02979	1.1
118.94202	1.9
120.02189	7.8
121.02971	84.0
122.03286	2.4
123.04533	1.8
124.04032	2.0
126.10872	1.1
133.03036	5.2
133.03862	1.2
136.98926	1.5
137.02510	1.2
148.93230	1.1
151.02823	1.7
151.04008	30.0
161.02460	64.6
162.02794	1.7
164.98273	2.6
166.94398	1.4
176.04793	31.0
179.03513	100.0
180.03842	4.7
191.07166	11.4
194.05859	82.7
195.06134	2.4
209.00841	1.4
209.04604	7.2
209.08206	20.6
209.11630	1.2
209.15369	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	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03447	1.4
59.01385	100.0
60.01704	0.7
75.57144	0.3
80.02689	0.8
80.11579	0.4
80.52184	0.3
80.60979	0.3
81.03499	0.8
81.74141	0.3
87.42643	0.4
97.06609	1.5
109.06628	1.4
114.34087	0.3
120.02216	1.0
121.02965	8.7
121.03744	0.6
165.12885	2.5
209.04373	0.5
209.06052	0.4
209.11861	9.7
229.06830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.041
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56487	0.9
69.42936	3.4
72.99317	29.4
73.28060	0.8
81.03449	1.4
85.02942	1.2
90.04295	1.0
92.05074	2.8
94.03004	2.4
95.01396	1.4
96.04556	2.8
98.22657	1.4
105.03501	1.0
106.03799	1.2
107.01389	11.0
108.02200	2.5
108.04557	10.0
109.02962	2.2
109.24094	0.8
120.04578	5.4
121.02953	3.2
122.02516	27.2
122.03326	5.7
123.00893	1.0
123.04558	2.0
124.01660	1.1
124.04044	1.9
133.02954	2.0
134.03305	3.2
135.00894	5.6
136.01768	1.5
136.04059	43.1
137.02461	3.3
138.05623	6.7
139.04027	1.0
148.04063	14.5
150.03229	1.7
151.03979	1.7
152.01183	1.2
163.00392	94.7
164.01186	18.6
165.01927	1.7
166.03694	1.6
166.05115	27.9
177.01947	1.7
178.02263	10.3
179.64545	0.9
195.03008	100.0
196.03474	2.6
209.04535	1.0
210.05020	3.7
210.07011	0.8
211.06071	4.1
211.07811	1.6
211.13417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0536
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02400	0.2
65.00355	0.5
65.05244	0.1
65.09209	0.1
71.41618	0.1
72.99323	0.5
75.00897	0.1
81.03484	0.5
91.01928	0.3
93.03490	0.3
94.36476	0.2
95.01413	0.3
103.19267	0.1
107.01405	12.4
108.01568	0.2
108.02282	0.9
108.04569	0.3
109.02975	0.4
110.00121	0.2
114.62921	0.1
121.02996	0.6
122.02470	0.4
122.03331	0.5
122.03835	0.3
123.00861	0.2
123.04552	3.4
124.01650	0.5
133.02956	0.2
135.00906	6.4
135.04553	0.2
136.01701	0.7
136.04083	1.0
137.02458	2.6
139.04034	0.7
147.00917	0.2
148.04042	0.2
149.02525	0.3
150.03250	0.5
151.04022	1.9
152.01160	1.2
161.14285	0.1
163.00395	100.0
164.01172	18.4
165.01947	1.8
166.05145	0.3
168.81244	0.1
169.05060	0.4
177.01926	1.1
178.02609	0.2
181.05107	0.6
195.03009	94.4
196.03360	3.4
209.04573	1.0
210.05286	1.4
211.04439	0.2
211.06122	0.9
211.07832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09826	0.3
53.27098	0.3
54.54495	0.3
59.01385	0.4
69.79687	0.7
69.80077	0.6
72.99316	0.4
77.14055	0.3
77.96938	0.3
93.03507	0.4
95.01379	1.2
96.22807	0.3
97.80193	0.3
108.02189	6.4
111.00891	0.6
122.55476	0.3
123.00883	1.4
123.04531	0.8
125.02502	0.5
136.01665	4.7
137.02467	3.6
137.05196	0.3
138.03227	1.0
139.00342	1.1
139.04005	0.5
149.02502	0.4
149.06055	0.3
149.09773	0.4
150.03235	0.4
151.03998	0.6
152.25591	0.3
163.00394	5.1
164.01167	100.0
165.01480	3.3
166.02719	1.3
166.91086	1.0
169.92064	0.4
179.03560	1.0
181.01424	3.0
181.05034	0.6
196.03778	14.6
197.04181	0.7
211.05951	2.0
211.07808	3.6
211.09616	0.6
211.13329	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	211.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39156	0.6
69.39562	0.8
70.00592	0.4
72.99312	0.4
81.03460	0.2
95.01410	0.8
98.22595	0.5
107.07229	0.3
108.02190	6.1
111.00891	0.8
121.02934	0.5
121.28349	0.3
122.02515	0.3
123.00902	0.9
123.04543	0.5
124.01670	0.5
125.02456	0.5
136.01683	5.0
137.02464	2.4
137.04414	0.3
138.03249	1.1
139.00381	1.0
139.04028	0.3
148.01598	0.3
149.02513	0.5
153.02008	0.4
163.00397	4.6
164.01175	100.0
165.01518	3.4
166.02771	0.9
172.39560	0.2
179.03523	0.9
181.01443	2.6
181.05165	0.3
196.03789	14.4
197.04179	0.3
210.06842	0.6
211.02544	0.3
211.06068	1.1
211.07739	6.6
211.13391	0.4
212.08336	0.5
219.77507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	GEIR-1
Peak:m/z	Relative Intensity
67.01896	0.5
69.20731	2.0
69.21087	0.3
70.00620	0.4
75.01223	0.3
83.01403	1.0
95.01391	1.2
108.02188	49.6
109.02972	1.3
111.00896	4.9
123.00906	12.0
123.04513	0.5
124.01678	13.6
130.92813	0.3
135.04544	1.1
136.01675	17.0
137.02477	5.1
139.00369	1.3
139.83789	0.4
155.74342	0.4
165.01964	2.2
211.06137	100.0
212.06511	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	211.1343
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.09111	1.3
61.10124	1.3
61.39693	1.2
63.26744	1.2
71.17166	2.1
79.69991	1.2
90.81830	1.2
95.01393	2.3
108.02153	2.2
123.00859	2.7
137.02475	2.0
167.10774	6.1
167.14413	3.2
183.13928	16.3
193.12361	2.2
201.29196	1.2
210.98163	1.5
211.04242	1.7
211.06035	8.6
211.07918	2.4
211.13414	100.0
212.13750	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.55135	0.4
54.21154	0.4
59.01365	0.4
69.03455	1.1
70.29967	1.0
83.04996	0.7
85.43185	0.4
88.44551	0.4
90.60200	0.4
94.11072	0.4
95.01387	0.8
106.21439	0.5
122.68198	0.4
123.03512	0.4
123.04523	0.4
155.10779	0.6
160.33838	0.4
165.12790	0.5
167.10793	1.2
167.14415	1.3
183.08160	1.8
183.13916	13.9
193.12349	3.3
205.81943	0.4
211.07857	4.1
211.13417	100.0
212.13737	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	212.0931
Annotation	N-(3-Oxohexanoyl)homoserine lactone
Peak:m/z	Relative Intensity
50.73368	0.4
53.36642	0.3
61.98832	0.7
74.70451	0.4
92.05061	0.5
93.03487	0.9
102.03460	0.7
109.02966	6.1
114.16946	0.4
121.02956	5.5
123.04510	0.8
130.02998	0.8
132.46924	0.4
134.02509	0.5
135.04477	1.9
136.04057	12.6
137.02484	0.4
138.05659	0.5
139.04021	4.0
144.14479	0.4
147.03279	8.7
148.01678	8.2
148.04074	4.8
149.02448	11.1
150.03249	4.2
150.05612	0.9
163.02751	1.7
163.03990	0.8
164.03546	4.6
165.02145	3.2
165.04340	18.4
165.05605	3.2
166.04735	0.5
180.04283	2.7
180.06734	0.7
212.09302	100.0
213.09619	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	213.0561
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
51.75246	0.1
58.63939	0.1
59.01379	0.2
69.21744	0.1
69.28658	0.9
93.03468	100.0
93.13739	0.2
94.03806	2.0
106.03983	0.2
123.05637	0.2
169.06609	12.1
170.06947	0.5
177.90311	0.2
197.99185	0.6
213.05582	9.8
213.11346	0.3
213.14961	0.9
214.05917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91059	1.0
69.74579	4.0
78.95911	2.7
84.35223	1.3
92.25240	0.9
93.03466	16.0
99.54286	1.0
109.02948	1.1
121.02968	20.4
122.03753	20.9
123.00891	3.5
123.04581	7.6
124.01677	31.1
131.01448	1.5
134.03856	1.2
135.04530	2.1
137.02466	6.1
137.03397	1.0
139.04027	61.0
148.01683	99.5
149.02498	9.4
150.03239	5.6
152.01166	100.0
153.01558	3.3
154.02718	2.6
154.35429	1.0
163.04031	9.9
165.01947	58.3
166.02327	1.9
168.90993	1.0
180.00713	15.2
180.04298	82.9
181.05089	26.0
195.03009	76.5
195.06586	2.1
196.03249	2.1
213.04156	2.8
213.07718	35.3
214.08228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45684	0.6
57.58372	0.6
59.01390	1.5
71.06810	0.8
78.95918	1.6
93.03471	6.6
99.95655	0.6
102.35062	0.6
107.05018	1.1
108.02196	3.5
109.02993	1.2
120.02213	1.0
121.02980	9.3
122.03763	2.1
123.00904	1.0
124.01677	8.7
131.01422	2.3
134.03735	1.3
135.04530	3.0
137.02452	3.9
139.04030	45.1
140.04408	1.0
145.13277	0.6
148.01685	100.0
149.02135	2.9
150.03235	5.3
151.03996	1.1
152.01164	28.8
152.69130	0.6
153.01508	1.0
162.02489	0.7
163.04044	8.1
165.01952	57.7
166.02258	1.6
180.00844	5.1
180.04300	82.6
181.04779	2.8
185.09711	1.0
194.92770	0.6
195.03000	22.1
195.06624	2.9
195.08215	1.8
197.99168	1.3
198.06882	1.3
211.07672	12.9
212.08397	5.7
213.07677	34.4
213.09319	8.3
213.15010	1.3
213.18628	2.1
214.07986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72277	0.3
56.25422	0.4
59.01374	1.1
69.27331	1.9
87.93543	0.4
93.03465	0.4
97.06596	0.6
177.12860	0.8
183.13914	32.3
184.14220	0.9
195.13911	24.9
196.14253	0.8
197.99269	1.3
211.13307	0.7
213.01662	0.9
213.14978	100.0
214.15318	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	213.15
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.88411	0.2
52.47103	0.2
59.01379	0.5
61.83923	0.2
63.45214	0.2
69.39004	0.2
81.20884	0.2
83.05038	0.2
87.33070	0.2
88.58145	0.2
141.12903	0.2
167.14438	1.6
177.12888	0.5
183.13928	5.1
184.14352	0.3
195.03088	0.2
195.13921	16.9
196.14316	0.5
197.99184	0.3
211.13408	1.6
213.14987	100.0
214.15324	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	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76933	0.2
59.01385	100.0
60.01713	0.7
61.23308	0.3
61.98853	0.3
71.41238	0.3
72.99313	1.1
83.05019	0.3
83.39317	0.2
89.02438	0.6
90.97149	0.8
95.94249	0.2
114.98898	0.6
118.96668	0.4
127.04021	0.4
132.98242	2.4
146.08235	0.4
156.99936	1.4
174.99266	29.4
187.63417	0.3
217.00314	20.4
217.05106	0.6
218.00650	0.4
218.98177	0.3
226.88538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01802	0.8
59.01385	70.8
60.01721	32.9
61.01804	2.8
71.01389	10.8
71.05025	19.5
82.99109	0.9
84.65624	1.3
88.04050	100.0
90.97185	1.0
99.04523	5.6
105.03440	1.0
116.07193	2.3
127.74033	0.8
129.05582	1.1
132.98216	2.8
146.08247	52.2
157.80173	0.9
164.36447	1.0
174.99255	8.3
175.99602	21.0
176.99773	1.2
218.00671	22.1
218.04703	1.9
218.08322	1.3
218.10333	24.8
219.00598	1.8
219.17555	7.4
220.85300	1.3
229.88452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01907	0.6
57.03419	0.4
59.01387	6.7
61.98836	12.8
65.85642	0.2
69.26656	1.0
70.97382	0.2
71.01402	0.5
72.04557	9.0
82.02995	100.0
83.01397	0.3
83.03334	1.5
87.33829	0.2
93.03488	0.6
98.02484	2.7
100.04060	35.1
101.02455	0.4
103.92085	0.3
106.04282	0.5
107.05047	0.4
119.05042	30.3
120.05355	0.7
122.20521	0.2
126.29591	0.2
136.07698	0.7
141.07974	0.3
143.31459	0.2
145.04910	0.5
149.06117	0.6
161.02425	0.6
177.05586	0.7
178.98564	1.0
180.81464	0.3
192.10297	1.7
199.58064	0.2
219.84592	0.7
220.08130	0.6
220.09818	13.6
220.17937	1.4
220.99617	1.0
221.04578	0.4
230.64500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0456
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
55.01886	12.3
57.03448	1.0
59.01387	5.8
71.01402	1.0
73.02929	0.6
85.02962	0.7
99.00887	5.6
109.32794	0.5
121.02983	1.1
123.08275	0.5
131.05048	10.1
133.06612	100.0
134.03708	1.5
134.06934	3.3
135.04547	9.2
149.06090	4.1
158.03792	0.7
159.04541	16.1
160.39064	0.6
161.02464	1.2
161.09735	2.0
162.03226	6.6
162.42131	0.6
163.03899	0.6
163.07646	0.6
177.05609	8.7
178.98602	1.4
179.10739	2.9
191.07144	0.8
193.12354	0.7
203.03554	3.6
203.10786	3.7
206.09451	1.6
221.04561	8.0
221.08337	0.7
221.11752	3.7
221.15440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0669
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
50.07603	2.5
59.01384	100.0
71.01389	40.5
72.45071	2.8
73.02958	69.2
75.00884	5.2
83.01380	9.1
85.02967	15.4
89.02444	8.1
92.90946	2.3
95.51765	2.6
98.22690	6.2
99.00915	3.8
99.42060	3.0
101.02450	29.0
109.61597	2.8
113.02451	26.8
116.60798	2.7
131.03545	4.2
135.04544	6.0
161.02444	2.6
162.03180	3.0
221.04427	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	221.0821
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
59.01384	12.6
61.19659	2.4
66.27119	2.1
69.28759	2.2
71.05029	92.3
71.40945	2.8
73.06601	2.4
75.02414	4.0
86.86047	2.2
93.03460	2.4
99.00906	5.3
107.05052	8.1
121.02972	56.0
121.03847	3.1
134.03760	100.0
135.04555	15.0
147.00902	14.8
149.09731	15.9
159.04509	3.4
162.03288	3.9
165.01904	3.4
177.05626	3.6
177.09216	12.5
178.98543	2.6
194.45700	2.1
221.04639	2.5
221.08206	38.6
221.11722	3.4
221.15273	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	221.0821
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
59.01383	21.8
64.89208	2.1
66.17552	2.1
69.03461	48.9
69.25809	4.1
69.26221	7.6
71.01375	4.8
71.05029	100.0
73.02956	6.7
83.01425	1.9
101.02441	2.0
107.05038	4.3
113.02473	5.2
115.21034	2.0
121.02975	42.8
134.03758	20.4
135.04541	5.4
147.00890	9.5
147.08159	2.9
149.09717	14.7
177.09242	11.5
178.98560	2.5
213.80583	2.1
220.99519	3.5
221.08194	24.1
221.11758	2.6
221.15382	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	221.0972
Annotation	Buthionine sulfoximine
Peak:m/z	Relative Intensity
55.01883	13.7
58.50634	0.3
59.01384	4.9
61.20096	0.4
70.08495	0.6
70.08853	0.8
74.00093	0.3
84.96969	0.3
88.60744	0.3
111.62295	0.3
142.36281	0.3
154.05334	0.3
165.07068	0.6
178.98549	1.5
181.06564	0.8
191.08664	0.3
193.10249	21.8
194.10625	1.2
221.09744	100.0
222.10059	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	221.1548
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
59.01370	0.4
63.46644	0.1
66.94130	0.1
67.66296	0.1
69.75821	0.2
69.76214	0.2
95.84964	0.1
100.31802	0.1
111.34085	0.1
127.07658	0.1
138.89055	0.1
148.05301	0.4
149.05994	0.4
164.08437	2.5
165.09174	0.2
178.98595	0.2
179.81770	0.1
200.21535	0.1
205.12361	1.4
206.12654	1.0
207.13908	0.4
220.14714	3.4
221.15469	100.0
222.15799	4.2
235.13396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
53.47934	0.2
59.01373	0.8
59.96719	1.5
61.98830	1.6
70.97691	0.3
74.99078	16.9
83.80886	0.2
93.00141	8.8
96.96008	0.8
110.29372	0.2
116.92885	0.2
121.02958	0.8
149.00967	12.4
150.00980	0.4
150.98901	0.7
151.86305	0.2
165.01964	0.4
166.06424	0.3
195.13956	0.2
206.99718	5.4
222.15804	0.7
223.02846	100.0
223.13353	1.6
224.02878	5.4
225.01001	0.3
241.03926	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	223.0287
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.01384	0.2
59.96730	1.2
61.98835	0.2
70.30066	0.2
74.99082	17.3
75.99051	0.2
93.00148	6.3
101.02438	0.2
115.78761	0.1
119.05012	0.2
149.00978	11.8
150.00981	0.3
150.98944	0.7
156.92097	0.1
206.99716	4.8
207.99800	0.3
223.02858	100.0
223.13399	0.6
224.02885	5.4
225.00923	0.2
225.18797	0.1
241.03889	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	223.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44424	0.8
64.88943	0.8
69.33823	4.1
92.38940	0.8
93.03470	18.6
109.03008	1.1
117.03453	3.1
121.02973	37.0
122.03344	1.3
134.03755	1.3
135.04536	14.6
137.02440	1.9
148.01669	0.8
148.80841	0.8
149.02463	68.7
150.02808	1.5
151.04010	2.7
152.01160	10.5
163.04031	19.0
164.04817	58.2
165.01953	15.7
165.05035	1.6
167.03546	1.9
169.05157	5.5
179.03516	2.0
179.07146	14.5
193.01440	78.3
194.01825	1.8
205.01315	1.2
208.03792	100.0
209.04091	2.9
222.06847	1.4
223.06104	50.9
224.06424	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	223.0615
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.94548	1.1
59.01367	3.2
61.79073	1.1
64.41269	1.1
69.20752	6.9
71.01373	2.2
71.55569	0.9
74.99049	1.8
93.03463	14.4
95.43567	1.0
98.22767	1.2
100.58993	1.2
101.02439	1.4
121.02968	32.7
130.71710	1.0
134.03732	1.6
135.04533	12.6
137.02431	3.5
149.02461	65.0
151.04008	1.7
152.01173	13.1
163.02739	1.6
163.04027	20.6
164.04807	48.6
165.01939	11.8
165.05089	1.8
167.03479	1.8
169.05080	5.9
178.29018	1.3
179.07115	11.8
193.01437	75.5
194.01790	2.2
208.03784	100.0
209.04019	4.1
223.02898	8.8
223.06058	46.0
223.13322	2.2
224.06400	1.8
239.67493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0979
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
59.01387	0.7
61.98840	0.5
69.72943	0.4
74.99111	0.4
78.26344	0.3
79.05540	1.2
81.03465	5.9
82.91754	0.3
98.21825	0.9
122.03754	2.5
135.11819	10.3
136.12175	0.5
137.09746	19.6
138.10089	0.8
149.01047	0.4
179.10796	100.0
180.11133	3.0
223.02849	1.6
223.09778	62.4
223.13402	1.5
224.10014	2.1
224.13608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.113
Annotation	Calyxolane A
Peak:m/z	Relative Intensity
55.01886	9.6
59.01374	0.8
61.98825	0.8
70.07187	0.5
70.07536	0.3
70.40060	0.2
74.99093	0.3
109.02982	0.2
120.07842	0.2
122.72846	0.2
149.00995	0.4
159.24614	0.2
165.01944	0.3
167.08711	0.5
178.99773	0.2
179.08684	3.1
179.10803	0.5
180.09450	0.3
183.08131	0.3
193.01495	0.3
193.10228	0.9
195.11809	16.9
196.12181	0.6
207.08167	4.3
208.08607	0.3
221.09784	0.4
223.02852	2.0
223.11308	100.0
224.11630	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1344
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
59.01382	14.4
61.98845	17.8
70.25980	7.2
73.64004	3.2
74.99083	12.5
93.00166	4.5
96.96013	4.9
98.22678	3.4
102.22121	2.8
115.68018	2.6
121.03003	5.2
128.96886	3.1
131.47952	3.1
141.86841	4.0
149.00990	10.1
151.04007	14.7
165.01933	4.1
166.06386	39.8
176.83723	12.3
179.10922	4.9
179.14447	6.4
180.94154	3.5
183.13011	3.3
193.01405	4.7
195.13907	48.3
205.12360	8.1
206.99832	5.7
223.00581	3.9
223.02853	79.8
223.07536	5.3
223.13426	100.0
224.02927	3.7
224.13744	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	225.0407
Annotation	Isochorismate
Peak:m/z	Relative Intensity
56.61177	0.5
59.01387	3.2
59.64088	0.4
61.15244	0.5
65.03963	1.8
67.01903	1.1
68.99815	0.8
69.26671	0.5
70.90828	0.8
81.03491	0.5
83.05031	2.2
89.80706	0.5
93.03444	1.0
109.02963	54.1
110.03332	0.8
119.01403	1.5
121.02982	1.1
122.51351	0.4
123.43011	0.4
135.04587	0.6
137.02466	100.0
138.02827	1.9
139.04118	0.6
147.00940	2.5
148.01685	6.1
149.02405	1.3
151.00359	0.5
166.99864	0.6
175.00381	2.6
179.03532	7.3
181.05019	0.6
194.89586	0.7
194.99287	0.8
195.02965	1.5
207.02966	8.8
207.04791	0.8
207.15091	0.6
210.01727	1.1
213.24706	0.5
225.04120	4.3
225.07591	1.2
225.09492	0.9
225.11407	1.2
225.16109	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.077
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
58.25973	0.3
63.02375	0.2
63.32098	0.2
64.35892	0.2
65.00335	0.3
65.03954	0.3
69.21225	1.1
69.21619	0.4
69.28815	0.2
71.38259	0.2
72.77060	0.2
79.05564	0.3
81.03463	0.5
81.95415	0.2
84.24612	0.2
89.03979	1.1
91.01898	0.5
93.03465	0.9
95.01385	0.4
95.05037	0.2
95.32066	0.2
105.03462	0.6
107.01399	4.1
108.02213	0.5
109.02958	1.0
110.00083	0.4
111.00886	0.6
112.01717	0.3
117.03466	0.6
121.02973	0.8
122.03751	6.0
123.00983	0.3
123.04545	2.4
123.25926	0.3
124.01667	1.9
132.02232	0.3
133.02950	1.8
135.00896	3.6
135.04536	0.7
136.01660	0.3
137.02454	22.0
138.03189	0.8
139.00417	0.4
139.04091	1.5
149.02441	3.0
150.03236	23.9
151.00354	0.4
151.04036	3.4
152.01160	2.4
160.01700	0.7
161.02466	12.3
162.03000	0.5
163.00386	77.4
163.04004	3.0
164.01167	7.2
165.01944	3.1
165.05537	0.4
169.04973	0.3
177.01949	7.0
177.03493	0.4
178.02730	12.8
179.03503	5.6
180.00685	0.4
180.04192	0.5
181.05135	0.4
181.12309	0.2
193.05113	2.2
194.05870	3.4
195.02998	100.0
196.03352	2.2
209.04510	1.1
210.05348	16.7
211.05710	0.4
225.07700	45.6
226.07983	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	225.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16487	0.4
59.01382	0.5
62.10398	0.4
67.01892	0.9
69.44215	2.2
84.33020	0.4
93.03490	1.0
97.51915	0.4
109.02956	3.8
117.36993	0.4
136.01697	1.1
137.02460	27.2
147.23294	0.5
151.04012	0.8
153.10840	0.5
164.01161	1.8
165.01945	100.0
166.02257	1.9
179.03526	13.6
180.04300	52.1
181.04663	1.7
181.06366	0.5
194.05864	2.8
195.02936	2.0
195.06636	62.7
196.06960	1.6
207.10312	0.6
210.01846	0.5
210.05347	12.2
225.05637	1.3
225.07626	8.4
225.11299	1.5
226.14482	0.6
232.56683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97855	0.3
57.03452	0.5
59.01386	100.0
60.01725	0.6
69.03453	0.4
81.03486	0.6
83.05058	0.4
93.03519	0.4
95.05064	0.7
97.06592	3.1
119.05040	0.4
123.47304	0.3
134.03773	1.5
135.08180	1.9
137.02470	0.5
147.08167	3.6
149.06096	1.1
151.11278	0.4
151.57390	0.3
163.11223	0.4
165.01970	0.5
165.09172	1.7
181.12325	0.7
207.10243	0.5
225.11343	25.2
226.11702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
56.52371	0.6
57.03442	0.9
59.01379	3.2
64.87091	0.7
69.45869	3.0
91.88361	0.6
93.03465	1.1
95.05019	0.6
97.02956	10.7
99.00867	3.3
109.02967	6.4
109.06617	3.3
110.03757	9.2
125.09716	1.6
135.08195	2.2
136.05298	1.9
137.02478	13.4
137.76657	0.6
142.02722	2.1
148.01620	0.8
161.09755	0.7
163.11317	10.5
167.08824	0.7
175.98732	0.7
179.10754	0.9
181.12376	30.9
197.11798	1.9
198.50218	0.6
203.55913	0.6
207.10292	78.1
208.10600	2.8
225.11343	100.0
226.11696	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	225.1498
Annotation	MKN-003C
Peak:m/z	Relative Intensity
59.01384	3.7
59.35260	0.3
62.39648	0.4
69.19477	0.8
69.19888	1.6
71.14448	0.4
78.00883	0.4
82.84232	0.3
83.05043	0.8
93.03466	1.1
97.06566	0.6
109.02984	0.4
136.98814	0.5
137.02451	1.4
163.14938	1.1
169.12341	0.8
177.12762	0.5
179.14450	0.4
181.12396	1.1
181.15990	0.7
189.12891	1.1
195.13927	9.3
195.15689	0.5
197.15488	4.0
207.13927	24.1
208.14218	1.0
225.14986	100.0
226.15279	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	225.1612
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
54.47819	0.3
55.85824	0.3
58.02985	0.7
59.01381	1.9
65.03964	0.6
69.28158	1.2
72.04541	0.3
73.76707	0.4
80.05070	0.6
81.03467	17.2
82.06634	0.8
83.05037	89.4
84.05379	1.1
93.03482	0.9
94.05365	0.3
94.94026	0.4
107.06138	0.6
108.04570	0.8
109.02962	7.8
125.07236	3.8
137.02467	16.9
143.08284	3.5
148.01729	1.0
154.12360	0.4
166.12389	0.6
179.03555	1.0
204.64247	0.4
207.03017	1.1
207.15050	11.4
209.06033	0.3
225.16109	100.0
226.16473	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	226.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
54.47057	0.2
67.01906	0.5
68.88890	0.2
69.03484	0.3
71.40543	0.3
72.99312	0.3
79.01938	0.4
85.02973	0.9
88.29637	0.3
93.03483	0.5
95.01397	15.9
96.01748	0.3
96.72012	0.3
97.03054	0.3
105.73560	0.2
105.74326	0.2
107.01405	19.7
108.01675	0.3
112.04131	0.3
121.02952	0.7
123.00899	9.5
124.01772	1.3
137.04922	0.3
139.04031	3.5
139.05035	0.4
141.01971	0.7
148.01689	5.1
149.02420	0.3
150.03203	0.4
151.00389	100.0
152.01064	3.3
163.04100	0.3
164.01088	0.3
165.01945	3.4
169.01431	5.0
178.99875	16.3
180.00238	0.5
180.04297	6.8
180.05768	0.5
211.02499	85.5
212.02779	2.4
226.04878	1.5
227.09264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04043	0.7
65.03969	1.7
72.64586	0.7
72.99314	27.9
81.03462	5.4
88.10358	0.8
93.03476	4.8
95.05036	6.0
105.03493	2.5
107.05036	2.5
108.02190	4.9
108.80553	0.7
109.02968	8.9
110.00117	0.7
121.02949	3.1
122.03734	2.6
123.00948	1.1
123.04537	48.1
124.01674	11.3
124.04874	1.0
133.02977	12.5
137.02457	100.0
138.03259	27.8
139.04022	5.7
139.11320	1.1
148.01566	1.3
149.02451	3.6
150.03236	12.0
151.04021	96.9
152.04352	2.2
153.05577	5.2
160.01578	0.9
167.03526	2.8
180.04305	1.1
194.02167	4.2
195.03009	51.6
196.03362	1.2
209.04581	1.0
212.03270	32.4
227.05606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25425	1.9
72.99325	1.5
89.47691	0.4
89.75955	0.4
93.03455	0.4
95.01417	0.6
95.76006	0.3
107.63363	0.3
123.00906	3.2
124.01682	26.2
137.02423	0.8
139.03023	0.5
139.04022	4.4
143.05034	0.5
149.02461	1.5
152.01173	100.0
153.01476	2.2
171.04459	0.4
173.17923	0.3
180.00667	15.7
195.03014	78.7
196.03351	2.1
199.04068	1.1
211.03981	0.5
226.02820	0.4
227.03566	4.1
227.05606	1.0
227.09229	0.8
227.20169	1.3
228.04237	0.5
233.18451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18753	0.5
58.00599	0.7
59.62889	0.5
79.70519	0.5
89.03465	0.6
93.03470	5.8
97.17200	0.5
119.56370	0.6
120.02197	1.7
121.02969	9.7
134.03702	0.7
135.04541	2.3
137.02448	2.1
139.04027	44.1
140.04343	1.6
148.01678	57.3
149.01976	1.8
150.03246	4.3
163.04034	4.1
165.01944	47.1
166.01848	1.4
180.04300	100.0
181.04642	2.4
195.06606	3.4
197.08170	1.1
218.63298	0.6
227.09258	10.4
228.82732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.28898	0.3
53.34014	0.3
56.60912	0.3
57.03455	0.5
58.55388	0.2
69.03426	0.4
73.55370	0.3
98.22613	0.8
111.08181	1.2
139.31316	0.3
165.01874	0.3
165.12865	17.7
166.13217	0.4
183.13918	100.0
184.14230	3.0
209.11882	1.5
227.12917	17.8
228.13280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68856	0.9
74.77309	0.9
83.80098	0.8
91.01324	0.8
101.94260	0.7
111.08182	1.1
116.85686	0.8
139.04102	4.4
139.11324	1.4
148.01712	4.0
152.27161	0.8
165.01938	2.4
165.12866	18.9
180.04282	6.2
183.13918	100.0
184.14256	3.5
186.55719	0.9
209.11909	1.8
212.21457	0.9
227.07039	2.4
227.09233	1.4
227.12897	17.1
227.16449	1.0
227.20258	2.6
228.92624	1.2
239.75275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
61.87730	0.3
64.94859	0.3
66.84128	0.3
69.26970	0.9
69.27377	1.0
71.05033	0.5
80.02684	2.2
81.03459	1.9
83.01395	0.5
83.05035	7.4
84.02176	3.4
95.05048	0.9
98.22668	0.7
125.06084	0.6
135.08217	0.9
139.04037	0.4
147.11824	0.5
148.01666	0.5
163.11310	5.6
165.01996	0.4
165.12883	3.8
174.43283	0.4
180.04277	0.9
181.12270	0.6
181.67780	0.3
191.10806	1.3
199.54628	0.4
209.11856	100.0
210.12158	2.7
227.12955	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	229.012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99569	1.5
57.14045	0.9
58.82083	1.1
63.80061	1.0
64.49911	1.0
67.01890	1.6
71.41319	1.0
72.99313	1.3
75.02409	2.2
82.00576	1.9
86.96960	1.7
91.41041	1.0
92.02699	15.1
93.03463	8.6
95.01402	4.3
108.02235	5.9
116.38631	1.1
117.03493	8.7
118.04269	27.9
119.05058	19.9
121.02151	2.0
121.02975	25.2
123.00896	1.9
123.04544	1.2
127.00149	19.1
130.01323	1.2
133.02931	9.2
134.03745	1.4
136.01678	7.8
137.02441	2.3
139.01648	3.7
145.06464	1.0
149.02399	2.1
155.01778	1.2
157.02718	7.0
159.00659	34.0
159.04311	1.3
161.02464	15.3
163.03984	3.7
170.99130	1.3
177.01709	55.4
182.04796	2.0
185.02219	77.3
186.02545	2.2
190.99644	4.6
201.01732	1.7
203.03285	100.0
204.03551	2.4
221.00700	5.4
229.01189	68.8
229.05141	4.3
247.02238	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.04704	1.1
65.79053	1.0
71.01397	1.0
75.98885	1.0
76.81529	1.0
85.00469	1.2
87.96698	0.9
94.19470	1.0
94.92521	3.6
98.22542	1.3
102.24197	0.9
103.01510	69.8
123.00910	1.2
156.89497	4.7
170.88391	4.9
170.97929	1.1
229.14474	2.2
230.15427	1.7
242.73076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.03
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
59.01387	1.2
71.90815	0.2
97.56833	0.2
115.05560	1.3
116.05054	0.2
143.05040	100.0
144.05368	3.2
187.04024	5.9
187.07712	0.3
231.02994	36.7
232.03304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63629	0.5
59.01387	20.3
64.75178	0.4
69.22282	2.6
71.01389	7.7
72.00926	0.6
75.00873	0.7
77.41162	0.5
85.06599	22.8
88.04050	100.0
89.04396	0.9
98.21936	0.8
111.70855	0.4
113.06086	4.3
130.08746	1.4
143.07195	1.1
160.09816	21.9
161.10181	0.5
188.98578	1.3
190.98915	0.6
215.09250	0.9
232.06128	0.5
232.11940	12.4
232.97488	0.5
233.10367	1.0
233.12921	0.7
233.15485	15.6
248.36388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83465	2.1
57.03445	3.5
59.01387	29.1
61.08017	1.6
64.93961	1.4
65.04021	1.8
70.19819	1.5
71.01387	12.5
71.21915	2.1
73.02920	2.7
75.00868	3.5
78.07095	1.5
78.95898	1.7
83.01380	4.2
85.02978	2.7
89.71320	1.9
95.55827	1.5
99.00903	16.3
111.00896	5.0
127.82802	1.6
129.01953	4.7
145.00864	1.8
190.98758	3.3
194.54109	1.9
233.15475	100.0
234.15811	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	233.0456
Annotation	Ancistroquinone B
Peak:m/z	Relative Intensity
56.22970	0.5
59.01384	2.0
68.99812	3.7
69.62965	1.7
91.37621	0.4
96.99298	0.6
105.03501	0.6
106.04286	1.0
108.02174	0.6
108.26737	0.4
116.02697	1.3
117.03506	0.9
118.04279	1.7
120.02194	1.4
121.02992	2.0
130.04256	0.8
132.02205	1.8
133.02950	3.1
134.02725	0.8
134.03761	15.6
137.02487	1.7
144.02209	8.7
145.02980	2.7
146.03754	3.2
148.01686	3.4
149.02493	3.1
150.03227	1.6
153.05597	3.3
159.03217	0.8
159.04533	14.5
160.01680	10.1
161.02463	47.1
162.03242	100.0
163.04021	7.6
165.05580	1.4
173.02466	6.0
174.03241	3.8
175.04021	11.0
176.34265	0.4
177.05589	28.6
178.05933	0.6
189.01915	2.9
189.05528	1.0
190.02740	60.8
191.03087	1.9
194.02113	0.7
201.02242	0.6
202.02744	0.6
205.05074	49.0
206.05435	1.3
218.02217	28.6
219.02652	0.8
233.04568	94.8
233.15480	15.1
234.04947	4.3
234.15848	0.5
250.01163	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	233.0855
Annotation	CHEBI:83082
Peak:m/z	Relative Intensity
59.01388	2.2
59.65068	0.2
79.95699	1.0
87.67043	0.1
89.98980	0.1
95.95235	0.2
96.96019	31.4
112.65804	0.2
151.11342	0.2
153.12816	0.2
159.23869	0.2
188.98518	0.3
225.16998	0.2
233.08539	100.0
233.15424	15.5
234.08842	3.4
234.15787	0.5
254.19682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0855
Annotation	CHEBI:83082
Peak:m/z	Relative Intensity
54.09236	0.2
59.01378	0.7
70.94182	0.2
79.95700	1.3
95.95229	0.4
96.96020	51.0
126.54410	0.2
147.99263	0.2
205.12358	0.3
233.08536	100.0
233.15352	7.6
234.08846	3.0
234.16005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63698	0.3
53.54800	0.3
59.96727	0.8
60.97530	0.8
69.91811	0.9
74.99077	9.1
91.02211	0.9
93.00132	2.3
98.21987	0.6
109.89441	0.4
118.96292	1.2
134.99413	9.5
136.97339	1.8
143.05360	1.3
149.00970	74.2
150.00941	2.0
150.99007	0.7
159.08450	2.3
161.06424	2.9
215.05659	1.6
217.07220	100.0
218.07365	3.8
233.10355	92.5
234.10529	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	234.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.3
55.88034	1.1
59.01382	19.5
60.01713	2.2
65.75954	1.2
83.01395	40.9
92.05044	1.6
106.06635	100.0
107.06979	2.5
129.05814	1.2
134.06187	1.7
144.04509	2.6
144.08197	13.9
145.06610	3.0
148.03952	4.6
150.66628	1.1
162.09258	34.2
174.08466	1.4
188.07129	2.3
190.08748	68.2
191.09137	2.7
233.15556	2.0
234.05515	2.1
234.07729	22.3
234.15826	25.7
235.07347	3.5
241.02872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1502
Annotation	Huperzine W
Peak:m/z	Relative Intensity
52.88069	0.2
67.54600	0.2
69.34872	1.1
74.00369	0.2
84.92036	0.2
98.22633	0.4
108.13489	0.2
121.02951	0.3
161.89276	0.2
169.77179	0.2
179.07124	0.7
184.84167	0.2
184.86230	0.2
204.15219	0.7
207.13857	0.3
218.11850	2.2
219.12617	1.2
234.15019	100.0
235.15329	4.4
251.11639	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	235.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11518	0.3
55.01852	0.4
59.01390	3.3
63.36400	0.3
69.09978	2.1
71.01384	3.5
72.99325	2.2
73.02954	1.4
73.82626	0.3
83.01418	0.5
85.02956	1.5
87.00890	0.6
95.05036	0.7
95.77563	0.4
101.02452	2.5
105.03520	0.3
108.02193	0.5
113.02454	1.1
121.02959	10.0
122.03757	19.3
123.04544	22.1
127.04102	0.5
133.02979	0.8
134.03731	0.6
135.04535	1.1
137.02472	2.4
146.10741	0.4
147.04512	0.7
148.96922	0.5
149.02455	0.7
150.03241	51.6
151.04028	33.4
152.04329	0.8
154.02771	0.9
160.01691	0.6
161.02429	0.8
161.04591	0.7
174.94766	1.1
176.04807	0.7
176.99496	0.4
177.01950	0.6
178.02702	1.5
179.03474	1.2
188.99615	15.5
191.07164	1.0
216.99037	1.8
220.98595	60.6
221.98897	1.8
234.15752	0.9
235.00166	100.0
235.16083	0.6
236.00510	2.3
250.99364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0614
Annotation	Radicinin
Peak:m/z	Relative Intensity
59.01386	10.5
69.81435	3.7
71.01392	3.6
73.02957	2.1
77.03961	1.2
83.01401	1.5
85.02954	2.2
91.05567	1.4
93.03548	1.1
95.05028	1.5
101.02450	4.6
104.32911	1.0
105.03475	10.7
111.00871	1.9
113.02460	1.8
117.03503	1.8
119.05038	13.6
121.02992	4.0
132.02193	13.6
133.02975	70.3
134.03798	7.7
135.04539	12.3
136.01692	5.5
137.02431	2.9
145.02936	2.5
146.03780	1.6
147.04538	66.0
148.05325	28.8
149.06143	6.2
151.04001	4.0
153.05685	3.0
158.03761	3.3
160.01674	54.9
161.02451	3.0
161.06036	1.6
162.03195	1.9
162.06895	2.5
163.04057	6.0
163.07684	3.7
164.04832	4.1
174.03188	1.7
175.04019	41.2
176.04802	100.0
177.01952	33.2
177.05214	2.1
190.11346	1.0
191.07152	83.5
192.04352	7.0
192.07515	1.5
193.04961	1.3
199.21773	1.0
207.06613	5.8
208.89458	1.1
220.03769	27.2
235.06096	24.8
240.13264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71841	0.2
64.51237	0.2
68.33916	0.2
83.88074	0.2
84.42276	0.2
85.23975	0.2
86.91843	0.2
90.71671	0.2
98.21753	0.4
134.03761	0.7
135.04527	0.4
136.05307	0.5
148.05325	10.3
149.05992	0.4
149.09708	1.2
159.08308	0.2
161.02432	0.2
162.06880	0.6
175.07683	0.5
176.08403	0.7
177.09225	48.4
178.09586	1.9
190.10016	2.0
191.10789	1.0
192.11580	33.5
193.12015	1.7
201.09244	0.7
203.07158	1.0
206.09619	0.2
217.08713	3.7
218.09497	9.5
219.09886	0.4
236.10559	100.0
237.10924	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	237.0407
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
56.70555	0.4
59.01384	1.5
63.34530	0.5
69.69880	1.5
73.09435	0.4
78.95908	1.1
82.54419	0.5
93.03481	0.6
98.21907	0.9
106.04290	1.0
121.02974	2.3
133.02965	6.5
134.03755	100.0
135.04089	3.1
137.02464	9.1
139.04060	2.5
149.02429	1.5
149.06091	16.9
150.03268	1.2
150.06479	0.5
157.06561	1.6
175.07680	0.8
178.02731	49.0
179.03073	1.8
193.01352	0.6
193.05077	15.2
193.12363	0.5
222.01698	9.4
237.04060	66.9
237.07828	2.3
238.04359	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	237.0407
Annotation	6,7-Dihydromethylspinazarin
Peak:m/z	Relative Intensity
59.01400	2.0
59.91380	0.6
74.92284	0.6
83.26653	0.6
91.01897	1.1
105.03509	0.8
107.01406	1.0
108.02224	1.1
109.03004	1.8
119.01443	1.0
121.02976	3.1
122.03797	0.9
123.00900	3.4
125.02505	1.2
133.02951	1.4
135.00900	6.4
143.74445	0.9
147.00903	2.4
149.02493	1.0
153.01958	0.8
163.00401	11.3
166.02731	100.0
167.03102	2.4
177.01959	2.5
178.02682	1.4
178.99982	0.8
190.99808	0.9
191.08815	0.8
191.76189	0.7
192.00587	0.8
194.02220	90.7
195.02531	2.2
198.01657	1.0
204.31009	0.7
205.01424	2.5
206.02255	1.0
209.04553	41.2
210.04851	1.6
219.05118	0.9
222.01720	3.6
237.04037	34.2
237.09160	2.2
237.14919	1.2
238.04277	1.1
256.17413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0406
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
56.68724	0.5
59.01384	3.4
63.22449	0.5
69.55351	2.6
78.95940	0.8
93.03459	0.9
93.17067	0.6
97.67181	0.5
98.21882	0.5
108.02193	0.9
121.02962	3.1
124.01680	21.3
133.02960	1.9
134.03760	5.7
135.04544	0.6
136.01682	1.0
137.02455	1.7
139.04024	15.7
147.00880	0.6
149.02466	6.6
149.06088	1.4
150.03246	100.0
151.03592	1.7
161.02428	1.6
161.26988	0.5
175.07658	0.9
177.01950	24.1
177.03511	1.3
178.02737	43.0
179.03050	1.7
181.01556	0.5
193.01408	1.4
193.05060	2.0
193.08681	1.0
193.12375	1.4
209.06085	2.1
222.01717	33.4
223.02000	1.3
237.04022	49.1
237.07857	2.0
237.11284	2.2
238.04359	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	237.0616
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
59.01373	1.7
67.05532	2.2
70.69643	2.4
85.02986	2.0
86.60060	1.6
87.00883	100.0
87.99277	1.7
98.22079	1.8
116.03554	2.0
119.45243	1.8
127.58743	2.1
129.01944	12.8
130.98347	1.8
237.06215	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	237.0771
Annotation	Sclerotinin B
Peak:m/z	Relative Intensity
52.31522	0.7
56.03375	0.8
57.03454	1.1
59.01388	11.3
68.95187	0.8
69.80880	1.2
69.81258	1.1
73.36357	0.9
78.95914	8.7
79.51061	0.7
87.04531	4.5
91.00074	0.8
93.03494	5.1
95.05023	1.5
107.05020	1.4
119.05025	2.4
121.02972	2.2
121.06616	1.1
131.05099	0.9
133.06583	3.2
134.03712	1.3
135.04529	2.8
137.06097	14.0
147.04556	3.8
147.08231	1.1
149.06119	4.8
157.06619	3.2
159.04550	6.3
160.05292	4.5
173.06062	1.8
175.04019	1.7
175.07666	13.1
177.05571	17.1
178.05893	0.9
180.57268	1.0
181.70493	0.8
191.07123	2.0
193.08711	15.8
237.07709	100.0
238.08104	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	237.1499
Annotation	Oxyphyllenodiol B
Peak:m/z	Relative Intensity
57.03437	0.7
58.68619	0.5
59.01389	14.6
69.65007	2.0
71.01360	0.5
72.39011	0.5
72.99642	0.5
80.02669	1.7
81.03453	3.9
83.29245	0.6
85.02956	0.5
116.92872	0.9
121.02972	1.1
121.06652	0.7
122.03769	3.7
123.08173	5.3
125.09730	8.1
137.09732	3.7
149.09756	2.6
163.07637	1.3
163.11333	1.3
164.08078	2.4
165.12885	7.7
169.08775	1.2
178.10010	4.6
179.10791	43.0
180.07938	1.6
180.11082	1.4
191.14424	1.4
193.08810	0.7
193.16040	2.7
219.13924	1.9
236.98814	3.9
237.14963	100.0
238.15344	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	239.02
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47173	0.9
55.65663	0.9
59.01386	9.0
63.02398	1.3
67.01910	1.3
69.22800	2.2
69.23198	5.2
71.86094	0.9
81.03485	1.1
93.03465	1.7
95.01397	15.6
107.01402	37.6
108.02195	2.5
109.02982	3.9
117.63346	1.0
122.00056	1.0
123.00912	10.9
123.04539	3.1
124.01672	4.4
133.01727	1.7
135.00865	5.3
135.04546	3.9
137.02478	6.6
138.03259	1.2
139.04044	1.2
149.17957	1.0
150.03331	1.2
151.00388	100.0
152.01172	10.5
155.03563	1.6
161.01169	8.1
163.00386	55.0
164.01212	6.6
165.01939	1.5
167.03563	5.1
169.01468	3.4
176.03587	2.1
178.99875	28.7
179.05623	3.4
180.04372	2.6
181.01439	3.9
183.03014	1.3
195.03017	3.2
196.03922	1.6
206.99365	84.2
207.99747	2.1
211.04118	1.2
211.07657	3.0
223.02866	7.2
224.03334	4.1
239.01985	21.5
239.07402	12.2
239.12666	1.0
239.16656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.9
64.65469	1.3
65.00319	2.7
67.01891	1.5
69.88907	4.5
74.99110	1.8
78.51405	1.4
81.03461	10.1
83.05077	1.8
91.02191	1.4
93.03459	6.2
95.01385	3.0
97.02980	1.9
98.21877	1.5
108.02199	1.5
109.02965	16.0
110.00121	3.2
121.02974	4.0
122.00121	9.0
123.00919	10.1
124.01682	2.4
125.02478	3.5
125.99628	2.6
135.04561	3.7
137.02463	100.0
137.99641	5.0
138.03206	4.4
139.00418	10.4
139.04007	10.4
151.07658	1.7
153.01958	7.7
153.05568	3.5
153.99179	2.1
155.03508	24.5
165.01958	4.9
168.04228	2.4
179.03629	2.5
180.04335	6.0
181.01447	86.5
182.01881	2.1
194.98936	1.8
195.02820	1.8
195.10295	3.8
195.13947	1.5
196.03809	44.2
211.06126	6.2
211.07848	3.2
223.02826	13.8
224.03281	64.5
238.06313	1.9
238.97864	3.2
239.05388	63.5
239.12878	1.7
240.05959	2.1
241.70802	1.5
244.76169	1.5
245.38586	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	239.0564
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
54.55267	2.3
54.71461	2.6
59.01389	27.6
66.92024	2.7
71.25850	4.3
81.03460	12.0
87.41823	2.8
93.03463	8.2
95.01340	3.1
108.02158	4.4
108.08149	3.2
109.02961	26.0
110.00066	5.0
111.00887	3.9
121.03007	6.5
122.00094	6.6
123.00938	14.4
123.04528	4.8
124.01660	4.5
125.99540	5.4
133.02983	27.4
134.03780	22.4
135.04543	57.4
137.01450	6.0
137.02460	100.0
137.99548	3.1
138.03128	3.3
139.00342	10.5
139.02982	3.0
139.04016	14.9
147.04608	3.9
148.05278	8.6
149.02402	3.3
149.06110	48.3
151.04002	10.6
151.11244	4.0
152.07184	6.3
153.01933	6.1
155.03537	19.5
161.02480	60.5
163.00320	2.6
165.01936	5.2
177.01982	12.2
177.05589	93.6
178.02745	7.1
178.05904	4.3
179.03464	5.7
179.05649	4.7
180.04451	4.5
180.99928	5.2
181.01445	84.6
195.03032	21.3
195.10252	4.9
195.13934	3.2
196.03793	43.5
196.05807	5.0
206.99464	4.0
211.04044	3.6
211.07748	7.7
221.04541	71.6
221.06468	6.6
223.02798	23.0
224.03264	63.0
237.05478	2.9
239.05283	75.6
239.07381	30.3
239.12714	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	239.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.5
59.01385	56.2
59.01670	2.0
71.01395	13.2
72.99256	1.8
73.02978	1.4
89.02446	3.1
91.02193	1.8
92.02694	12.7
93.03467	63.8
95.01339	5.5
97.50745	1.3
97.72189	1.5
101.02459	8.0
105.01890	1.6
107.04964	6.2
108.02202	8.0
109.02941	2.9
121.02929	2.4
123.00843	1.8
123.04469	4.9
123.30668	1.4
135.04463	5.2
136.00757	2.4
136.01680	33.8
137.02469	72.1
151.03964	5.1
152.01056	6.2
162.34964	1.5
167.03473	7.6
179.03520	100.0
179.05157	3.2
180.03801	3.0
181.01425	1.5
196.63202	1.4
221.06158	1.7
223.02887	12.4
224.02853	1.8
239.05460	55.9
239.07602	3.0
254.64177	1.5
256.56165	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.06
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04186	0.2
54.63223	0.2
56.94763	0.2
59.01381	0.2
59.96721	0.9
62.91477	0.1
69.22983	0.9
74.99082	12.2
79.83633	0.1
85.02974	0.5
89.86481	0.2
91.02222	10.4
93.00148	4.4
99.21773	0.1
149.00966	5.7
150.98924	0.3
151.25597	0.2
180.27867	0.2
195.13951	0.3
195.42831	0.2
206.09618	0.2
206.45090	0.2
206.99719	3.5
223.02855	100.0
224.02895	5.5
225.00769	0.2
239.06030	0.7
239.12888	0.6
241.03915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0715
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
56.70947	0.4
56.82498	0.5
59.01377	0.5
65.48830	0.4
67.01878	0.5
76.65912	0.4
76.81524	0.5
81.03455	0.9
82.44119	0.4
84.38299	0.4
93.03465	2.0
108.02219	2.3
109.02230	0.9
109.02966	15.3
117.03488	3.0
131.05003	0.7
133.02995	1.4
145.02994	1.2
146.03767	0.7
151.37988	0.5
155.05008	1.4
157.13509	0.5
158.03851	0.5
159.04510	0.6
165.07079	0.8
167.05022	2.0
168.05740	0.7
169.06619	1.6
180.05885	1.4
180.86211	0.5
181.06609	1.3
182.01244	0.5
182.03731	1.6
183.04538	1.1
183.08110	3.0
193.06650	4.9
194.07190	0.5
195.04523	3.6
195.08173	1.9
196.05341	5.6
197.06076	2.2
209.06099	4.0
210.03236	1.8
210.06773	2.7
211.04134	2.8
211.07664	14.0
212.04747	0.5
212.07936	0.6
213.05432	0.5
219.04552	2.5
220.05324	2.1
221.06104	8.1
222.06889	4.1
223.04242	0.6
224.04819	25.0
225.05173	0.9
230.58350	0.5
237.05573	9.2
238.06366	4.6
239.07162	100.0
240.07471	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	239.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91488	2.1
59.01383	100.0
59.29898	2.3
69.75252	4.7
69.75614	5.7
71.01392	16.6
73.02946	3.5
78.95900	2.4
85.02952	5.1
87.00896	16.9
89.02463	15.3
94.53914	2.4
98.99377	3.2
99.00913	4.1
101.00982	3.8
101.02433	7.0
105.01983	2.3
117.01945	3.3
135.04536	28.8
141.00476	7.7
141.01666	2.6
149.04536	2.6
151.04401	3.8
154.97540	6.2
161.04550	12.9
165.04089	2.8
179.05637	60.0
182.97028	3.0
197.04462	3.2
236.99120	2.4
239.07446	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	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
51.60107	0.3
53.85631	0.3
59.01376	1.2
68.01945	0.3
70.72771	0.6
76.06428	0.3
78.06925	0.4
82.14166	0.3
89.39801	0.3
94.04247	0.4
95.05024	1.0
96.95976	0.4
101.06085	8.3
103.41088	0.3
109.06590	5.1
111.08174	4.8
116.92905	0.4
122.03780	0.7
125.09706	1.1
130.13319	0.3
135.11804	0.7
138.06888	2.8
139.04028	14.7
151.11302	0.8
154.06378	34.9
155.06750	0.6
167.14435	11.5
173.47896	0.4
178.01247	0.4
179.05615	0.3
179.10785	4.9
182.05878	3.7
184.12166	0.3
185.15453	0.7
195.13914	100.0
196.14235	3.3
200.93243	0.3
211.07741	0.5
223.02759	1.9
238.87599	0.4
239.06772	0.9
239.12866	6.0
239.16553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.39150	0.2
59.01391	2.3
64.87644	0.3
83.05032	0.3
95.31425	0.3
97.06626	0.5
100.12964	0.3
100.53226	0.2
106.04308	0.4
107.05086	0.4
108.97662	0.3
177.12877	3.2
181.17960	0.3
194.87982	0.3
195.13930	100.0
196.14279	3.4
203.10799	0.7
221.11934	0.6
223.02858	1.1
238.67809	0.3
239.12903	9.7
239.16565	0.4
240.13152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0508
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
50.07411	0.9
54.75849	0.7
59.01376	0.8
68.99825	1.0
70.74494	0.8
71.44655	1.0
78.95902	1.8
100.67423	1.0
101.62342	0.9
105.68227	0.8
109.02979	2.3
129.07117	2.3
131.08333	0.7
133.02969	1.3
139.05595	0.9
141.07117	4.1
143.05042	3.5
155.05017	1.4
156.05830	1.1
157.06596	11.2
159.04504	0.9
167.05043	12.2
168.05768	1.2
169.06638	3.9
171.04512	8.2
173.06042	0.7
180.05824	1.0
183.04518	4.5
184.05278	4.8
185.06088	48.2
186.06543	1.1
195.04517	29.9
196.05287	12.8
197.06093	5.6
198.03221	1.7
199.04091	4.0
211.04028	8.2
212.04802	18.8
213.05586	91.7
214.05914	3.3
223.04019	12.3
224.04759	15.3
225.05336	0.9
239.03506	3.0
240.04393	5.5
241.05077	100.0
241.08838	2.7
241.21664	1.0
242.05496	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	241.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35284	0.6
52.90768	0.5
59.01381	2.4
74.67755	0.5
93.03483	0.9
95.01375	0.6
105.82459	0.5
108.02213	0.9
109.02972	7.4
111.00900	1.3
119.05035	1.0
121.02979	1.3
122.03741	0.6
123.00924	0.8
124.01767	0.7
135.04520	0.9
137.02458	27.8
138.03180	1.1
139.00395	20.0
139.03993	1.1
149.02454	2.3
150.03232	4.0
151.00407	2.9
153.09206	0.9
157.06517	0.6
164.01109	1.1
165.01947	100.0
166.02266	3.2
167.03558	1.0
167.05035	1.1
185.06099	3.5
195.04544	2.0
197.06120	1.2
197.11906	1.1
199.05949	0.8
211.02406	1.6
211.04175	1.4
212.04802	1.2
213.05643	6.4
213.09148	1.1
223.04190	0.6
223.07660	0.9
223.14601	0.9
224.04807	1.3
240.04259	1.0
241.05112	7.8
241.06975	1.4
241.09142	5.2
241.11049	0.8
241.21762	1.9
242.05603	0.7
264.99637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62708	0.3
59.01424	1.3
73.85687	0.3
95.01399	5.5
107.01405	6.5
109.02966	0.8
119.05077	0.3
123.00893	4.1
123.01729	0.3
127.46396	0.3
135.04579	0.6
137.02463	0.8
151.00391	71.2
152.00935	1.9
153.73981	0.3
165.01938	1.5
169.01489	1.5
178.99884	13.2
185.06096	1.1
197.06131	0.5
199.07803	0.5
199.09778	3.2
211.02499	100.0
212.02855	2.9
213.05600	0.8
213.09212	1.3
219.68665	0.4
223.07600	1.0
226.04840	25.1
227.05164	0.5
239.07063	0.3
241.07082	33.3
241.21724	0.4
242.07434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.08
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59772	0.2
61.08425	0.2
65.43204	0.2
71.23246	0.2
81.03484	0.3
84.41163	0.2
93.03464	0.2
95.01414	0.6
100.67874	0.2
107.01404	2.2
107.05090	0.2
108.02201	2.3
109.02955	0.3
111.00887	0.5
117.03484	0.2
119.01411	0.7
121.03027	0.2
123.00900	1.9
123.04566	1.1
124.01693	5.5
133.24597	0.2
135.00894	1.8
136.01695	4.2
136.09979	0.2
137.02451	3.4
139.00374	0.5
147.00894	2.3
148.01706	1.3
149.02467	2.7
150.03299	0.9
151.00381	0.8
151.04025	2.9
152.01175	59.0
153.01529	1.3
161.02475	0.6
162.99004	0.4
163.00398	14.3
164.01173	100.0
165.01799	3.9
166.02245	1.0
167.03511	16.0
168.03838	0.3
177.01959	0.4
178.02745	1.3
178.99892	0.3
179.03528	5.2
180.00465	0.7
180.04187	1.1
181.01465	0.6
181.05106	0.6
194.02214	1.0
195.02997	75.6
196.03760	13.9
197.04234	0.5
210.05318	4.4
211.06140	50.9
212.02917	0.2
212.06435	1.5
216.45404	0.2
227.05630	22.7
228.06013	0.8
242.07971	23.2
243.08385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0827
Annotation	Isotaifine
Peak:m/z	Relative Intensity
62.69479	0.2
67.01885	0.3
69.36349	1.3
92.05063	0.6
93.03444	0.3
108.02190	0.8
108.04591	0.4
109.02937	1.4
113.62523	0.2
120.04588	0.7
121.02981	0.8
132.04584	0.4
133.05331	1.1
134.06133	1.3
135.04463	0.3
143.08698	0.3
146.03748	0.8
147.03279	0.7
149.02443	1.7
158.06093	0.5
170.06232	0.3
171.06885	0.6
171.08192	0.4
172.07637	0.3
173.04828	0.3
174.05627	0.6
183.04543	0.5
184.03850	0.3
184.05345	0.6
186.09244	0.7
187.07730	0.4
196.07681	0.8
197.06097	1.0
198.05641	0.7
199.06329	1.5
199.07922	3.0
200.04967	0.2
209.04814	0.3
210.05585	0.6
212.03593	0.8
212.07153	0.4
213.04309	0.8
213.07928	0.5
214.08740	1.9
215.07162	0.7
223.06424	0.9
224.07193	2.9
225.07809	0.4
226.05103	9.3
227.05902	7.4
240.06665	4.1
241.07382	1.5
242.08247	100.0
243.06509	0.4
243.08617	3.6
259.04950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.7
66.03490	0.5
68.92528	0.5
82.06641	4.4
85.06613	1.3
95.58586	0.5
100.07706	0.9
101.06137	0.5
152.95235	0.5
170.15527	14.7
198.15019	100.0
198.59659	0.6
199.15346	3.3
226.02710	4.0
242.14067	2.9
242.17642	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	243.0623
Annotation	Uridine
Peak:m/z	Relative Intensity
55.01870	1.1
59.01381	2.1
61.79744	0.8
66.03489	15.3
68.01411	2.2
69.62206	3.2
71.01358	2.1
82.02991	34.2
83.01373	1.6
92.01424	0.9
94.03004	3.0
96.04559	1.6
108.04575	2.7
110.02489	100.0
111.02028	5.5
111.02799	1.6
117.01962	1.5
122.02492	8.4
124.04021	3.0
140.03545	10.0
152.03543	19.3
153.03053	7.6
157.03557	1.1
175.20758	0.8
182.04633	1.2
183.01472	3.1
186.64035	1.0
200.05658	33.8
201.06009	0.9
219.35849	1.0
243.06230	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	243.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13920	0.4
55.01871	0.7
59.01388	2.0
66.03491	12.9
68.01408	2.5
69.03463	0.6
71.01386	2.1
78.95913	1.2
81.02187	0.7
82.02991	31.3
83.01396	1.5
84.04541	1.5
86.84430	0.4
87.00863	0.7
89.02451	0.5
94.03001	3.2
95.01407	0.5
96.04558	1.9
102.05626	0.7
108.04577	2.6
110.02489	100.0
111.02020	4.9
111.02832	1.0
113.02487	0.7
117.01945	1.1
120.04493	0.8
122.02489	8.0
124.04060	3.1
126.05575	0.5
132.03044	0.5
138.02066	0.4
138.05614	0.9
140.03548	10.4
143.20949	0.4
145.06195	1.8
152.03549	16.0
153.03046	8.0
153.04166	0.6
167.01897	0.4
182.04620	1.2
183.01546	1.0
200.05667	31.9
201.05975	1.2
243.06242	22.3
244.06636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0665
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
69.03462	49.3
69.30466	2.9
69.30878	2.4
74.14319	1.0
79.01904	13.1
80.78757	0.9
81.03465	3.5
85.00436	3.4
85.02949	1.7
93.03461	1.0
95.01400	5.5
97.02956	30.9
98.21913	2.0
99.00845	1.2
104.63722	0.9
107.01411	21.4
108.02187	100.0
109.02969	53.5
109.04064	1.6
110.03290	0.9
121.02965	27.8
122.03281	1.3
123.00880	6.0
124.01669	1.6
125.02459	41.4
126.02731	1.5
135.00900	58.7
137.02463	49.2
141.07104	1.8
151.00339	1.0
152.01169	76.5
153.01619	1.5
169.06599	6.3
197.06093	57.8
198.06444	2.2
213.05589	13.2
215.07117	8.2
225.05743	1.2
225.15039	1.1
243.06610	49.5
243.79010	1.5
256.75757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.9
62.81884	1.2
67.75593	1.2
84.50134	1.1
85.29655	1.2
87.00842	1.3
89.03301	1.3
105.06450	1.4
108.02174	5.2
110.02424	1.3
111.00874	2.4
119.05035	2.2
123.00906	1.4
136.01660	4.2
137.02440	3.6
146.91962	1.3
163.00381	4.2
163.04066	2.0
164.01167	100.0
165.01529	1.7
179.03535	2.9
181.01465	2.0
196.03763	22.8
199.09735	1.3
211.06093	3.3
217.46063	1.3
232.32896	1.1
243.06726	8.6
243.12363	2.3
244.01436	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
69.37804	0.3
78.32410	0.3
79.95752	0.5
80.10452	0.4
80.37535	0.3
82.39278	0.4
95.01373	0.8
97.02977	0.3
99.00915	0.4
107.01358	0.7
108.02172	0.4
109.02978	0.6
111.00878	0.9
121.02975	0.8
121.06605	0.6
123.04536	0.4
124.01651	0.6
125.02467	2.5
135.04527	1.4
137.02510	0.5
150.03293	1.1
151.00371	8.2
153.01958	100.0
154.02281	1.9
157.45149	0.3
161.02484	0.6
163.00401	5.7
163.04012	0.5
164.01181	6.0
165.01927	0.5
177.01932	0.4
178.02779	2.1
179.03436	0.4
181.01448	0.9
185.06152	0.4
193.05116	0.7
195.03009	8.5
196.03761	1.0
210.05338	3.1
211.06067	0.4
215.10754	0.5
225.07729	0.8
228.06404	23.3
229.06740	0.6
243.06453	2.5
243.08682	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	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
58.12374	0.6
59.01377	0.9
59.27636	0.7
71.05023	1.0
95.05641	0.6
97.02956	1.9
97.06615	0.8
99.00898	9.9
109.06606	0.7
110.03723	1.0
115.24030	0.6
125.09734	2.7
126.29411	0.7
144.84943	0.6
153.12874	1.0
155.14447	1.6
163.11292	3.9
181.12357	16.1
197.11844	2.0
199.13411	40.0
200.13866	1.2
207.08328	1.2
207.10277	19.8
208.10582	0.8
225.11339	40.2
226.11690	1.4
243.12386	100.0
244.12688	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	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03450	1.7
59.01389	2.5
63.53826	1.1
69.32626	5.5
71.01392	1.1
71.05030	4.8
83.05041	1.5
88.02494	1.1
97.02967	6.4
97.06635	2.4
99.00894	26.0
109.06564	2.0
110.03747	4.6
125.09739	7.9
135.08186	2.0
136.05304	2.1
153.12813	1.2
155.14383	2.5
163.11287	11.7
181.12361	31.1
199.13403	23.2
207.10277	54.5
208.10631	2.3
225.11346	99.0
226.11693	3.8
243.12390	100.0
244.12805	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	245.0435
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
50.89370	0.4
53.52121	0.4
67.87067	0.4
70.76598	0.8
78.95911	100.0
96.96967	7.6
106.34673	0.4
107.76820	0.5
110.08543	0.4
138.92152	0.7
152.99603	64.5
153.99911	0.8
154.89804	0.8
170.88028	0.6
170.89363	8.5
171.00662	27.9
172.00996	0.7
188.90372	1.3
190.09848	0.4
212.90417	0.5
244.82587	0.8
245.04323	64.9
246.04623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1185
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
57.99669	0.9
59.01384	1.2
61.10812	0.9
98.45781	0.9
109.19713	0.7
117.03475	23.8
118.04269	3.2
119.05038	100.0
120.05345	2.4
121.02967	3.6
123.04524	0.9
132.05830	0.9
133.02933	1.2
145.02969	41.2
145.04129	2.0
156.71806	0.9
162.03232	1.6
163.04024	50.3
164.04353	1.4
181.40804	1.0
236.42880	0.9
245.11841	89.6
245.18977	2.3
246.12056	4.8
266.43384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0774
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
55.55737	0.6
56.36364	0.6
71.42385	0.8
100.20352	0.6
109.02967	0.7
124.50229	0.6
131.03741	0.8
132.02185	3.1
133.02972	55.5
146.02496	0.8
147.03281	100.0
147.22781	0.6
148.03607	1.5
160.04056	3.0
160.05194	0.7
175.02740	3.4
175.07664	1.9
202.05168	2.9
202.08763	6.4
203.05925	1.5
218.08231	34.7
219.08556	0.9
235.04771	0.9
246.07732	97.9
247.08076	3.2
247.13475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0978
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
56.68570	1.0
60.94048	0.9
70.65871	1.8
72.38197	1.1
81.82962	1.2
90.09681	1.1
90.90352	1.0
93.03461	1.5
106.04243	1.5
109.02975	1.1
121.03001	6.5
133.02963	24.8
134.03760	78.8
135.04570	7.5
137.02466	39.6
139.04022	14.5
150.03227	4.9
159.04582	1.5
161.02487	7.6
174.06880	1.6
178.02737	34.6
179.03522	5.8
186.95583	2.5
203.10777	13.2
211.89813	1.1
246.98839	2.3
247.09772	100.0
247.13708	2.7
247.16936	2.3
248.10069	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	247.0979
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.44570	0.5
59.01377	0.7
69.54887	2.2
89.02457	0.7
92.55210	0.5
93.03474	2.0
98.20398	0.5
98.21969	0.6
106.04252	3.2
109.02993	1.0
111.00888	1.3
117.60850	0.5
121.02969	8.0
133.02974	31.7
134.03757	84.0
135.04575	6.5
137.02460	46.3
137.04010	0.7
138.02820	1.0
139.04028	16.0
149.02432	1.4
150.03232	5.0
161.02441	3.4
161.52861	0.6
165.01933	1.9
174.06871	1.3
178.02734	36.3
179.03516	9.0
186.95567	0.9
203.10828	1.1
247.09767	100.0
248.10126	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	247.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23188	0.5
56.29712	0.5
59.01393	1.3
66.86706	0.5
82.62388	0.5
99.08204	0.5
110.56770	0.6
111.08218	0.6
117.03484	29.7
118.03534	0.8
118.04283	9.6
119.05046	22.0
120.05402	0.7
121.02979	9.2
123.04534	2.9
133.02953	2.6
145.02974	51.2
146.03308	0.9
162.03226	2.1
163.04039	8.9
165.01862	0.6
190.10025	0.6
220.14761	0.7
246.98862	1.4
247.13406	100.0
247.16975	5.1
248.13791	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	247.1705
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
54.18804	0.1
68.03342	0.1
69.11758	0.2
69.12159	0.8
90.76223	0.1
169.07413	0.1
204.15213	0.2
205.16026	0.3
220.16995	0.8
231.13824	0.7
232.14529	0.2
247.17038	100.0
248.17398	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	249.0536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.0
71.01370	10.5
71.12721	12.1
71.46836	9.4
78.55443	8.4
88.04130	8.7
119.05004	10.1
122.03756	16.4
130.94382	25.9
135.04445	12.3
136.01413	8.2
145.02888	11.8
145.96724	9.1
161.06094	20.9
163.35674	8.5
165.95760	15.1
169.82719	8.7
181.05107	70.1
191.05585	10.7
207.96776	19.1
219.06668	12.5
249.05856	9.9
249.15044	23.4
250.14476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.3
55.37414	0.9
56.99860	0.9
57.03447	7.7
58.00576	1.1
59.01383	63.5
64.58025	0.9
66.19011	1.0
69.03452	1.0
71.01388	100.0
71.38858	1.0
72.99316	2.8
73.02953	39.6
75.00880	1.5
83.01395	12.9
83.05028	1.1
85.02958	48.0
86.00099	4.7
87.00883	14.0
87.04533	3.8
87.74685	0.9
89.02448	16.3
95.01396	8.2
95.03436	1.2
97.02987	2.5
99.00887	11.9
100.00251	1.2
101.02451	73.2
111.00858	1.6
111.04525	1.4
113.02460	38.3
115.04015	1.5
119.03494	3.8
119.70393	1.0
120.04561	1.2
127.04028	2.2
129.01932	3.3
130.94394	2.7
143.03499	2.8
145.96663	0.9
159.02986	7.8
159.06653	5.8
161.04553	24.1
163.02533	1.8
165.95712	2.2
189.95842	1.1
204.06610	1.4
207.01416	1.8
207.96729	2.7
249.00563	1.8
249.02721	1.6
249.09891	2.4
249.14865	2.5
250.07224	2.4
250.14442	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	249.1246
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
51.41637	0.6
58.02982	7.5
61.02414	0.5
67.03015	1.9
69.36477	2.9
70.03006	0.7
72.00908	2.2
74.02480	9.2
74.02868	0.8
82.02984	4.6
84.04555	10.0
86.02487	3.9
91.05546	13.9
95.45687	0.5
97.04100	1.2
98.02532	1.0
99.05656	9.0
101.07201	5.3
107.02541	1.2
109.04086	14.5
115.05154	1.5
116.03535	0.9
123.65984	0.7
125.03571	0.9
127.05151	85.8
128.03563	15.7
128.05544	1.2
145.06200	2.2
164.46933	0.6
172.53383	0.6
174.09357	0.9
179.03468	0.7
181.19307	0.5
203.11826	0.6
205.13550	3.5
229.09845	1.7
231.11412	10.1
249.12463	100.0
250.12318	3.4
250.14630	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	249.1499
Annotation	Lychnopholic acid
Peak:m/z	Relative Intensity
52.91118	0.9
57.03437	1.8
60.93639	0.8
60.99312	1.2
61.98822	1.0
65.03969	1.9
71.43161	1.0
73.02962	8.4
81.03452	2.5
83.05033	45.2
84.21175	0.8
97.06593	31.1
113.06062	1.0
149.09706	1.0
153.64594	1.0
165.01901	1.2
172.17499	0.9
177.01907	1.1
187.14909	6.6
205.16006	13.0
231.13884	7.2
249.14977	100.0
250.14525	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	249.1499
Annotation	Madolin B
Peak:m/z	Relative Intensity
57.03445	1.3
65.03960	1.4
69.03458	0.4
81.03482	2.5
83.05034	45.8
84.05391	0.7
95.05037	1.7
97.06602	33.3
98.06931	0.8
98.80749	0.4
113.06059	1.0
121.06593	0.6
137.09724	0.6
143.19063	0.5
149.09763	0.8
187.14951	6.1
189.12820	0.8
205.12263	0.6
205.16006	11.6
206.16272	0.6
221.72968	0.5
231.13905	7.6
249.14978	100.0
250.15115	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	249.2227
Annotation	Civetone
Peak:m/z	Relative Intensity
57.03441	0.3
58.13641	0.1
61.98831	0.7
69.47282	0.1
69.83939	0.2
69.84306	0.5
85.00462	0.2
93.03457	1.3
95.08681	0.7
98.22572	0.3
123.08190	0.4
125.09738	1.7
139.11281	0.4
141.12869	1.0
149.09718	0.3
151.11301	0.2
165.12828	0.4
167.14413	0.3
177.01973	0.2
177.12897	0.5
179.14525	0.2
180.11525	0.5
190.85245	0.2
231.21207	0.3
234.11403	0.2
248.96979	0.2
249.22253	100.0
250.14513	3.9
250.19992	0.3
250.22603	5.1
254.34807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77840	1.4
54.14408	1.2
59.01392	7.5
67.26308	1.4
69.27272	8.9
78.74841	1.3
82.02991	3.1
82.05784	1.3
93.03459	3.1
93.74482	1.3
100.00429	7.7
103.92057	1.5
105.01936	2.7
117.03471	3.4
119.05047	64.2
120.05358	2.8
121.06613	2.3
130.33000	1.5
130.94429	11.2
132.08224	1.3
132.74217	1.6
135.04527	15.3
145.02974	6.3
145.06731	1.6
145.19594	1.5
145.96689	3.5
146.06143	7.6
147.94666	4.4
156.58777	1.3
157.59978	1.4
158.06102	3.1
161.02499	3.2
161.06094	3.6
163.04005	6.0
165.95728	6.0
176.07210	25.7
179.03537	13.1
188.07199	60.7
189.07468	3.0
189.95715	3.3
202.05141	2.3
206.08269	8.7
207.96735	8.2
218.11913	2.3
220.06157	35.7
226.92769	1.5
230.70218	1.4
234.11424	3.9
250.07272	26.9
250.14500	100.0
251.05392	1.8
251.14815	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	250.0722
Annotation	4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid
Peak:m/z	Relative Intensity
51.53315	0.3
55.01878	0.9
57.03450	3.8
59.01383	4.0
66.23293	0.2
67.85595	0.3
69.44373	0.8
71.01396	3.8
73.02956	14.3
74.03276	0.4
83.01402	3.2
85.02964	1.7
87.00841	0.4
89.02470	0.6
92.05078	4.6
99.00897	0.3
101.02455	100.0
102.02798	1.6
113.02462	1.4
114.02821	0.3
119.05061	0.4
120.04564	5.3
122.06153	1.5
130.94379	1.5
143.03511	0.4
145.96701	0.6
147.94649	0.7
148.07735	0.5
150.05576	0.8
160.07718	0.5
161.04523	0.8
162.04823	0.5
165.95715	0.6
176.07188	0.3
190.84436	0.3
204.06693	1.3
206.08241	4.4
207.08658	0.4
207.96791	1.1
208.97903	0.4
250.07243	20.4
250.14490	13.0
250.98862	0.6
251.07535	1.1
251.11320	0.4
251.14732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24847	0.5
59.01383	2.0
69.78884	1.8
72.99311	2.2
75.00880	4.3
87.00886	8.4
93.36565	0.5
105.01947	100.0
106.02283	0.7
111.62948	0.5
117.03501	3.1
119.05042	41.6
120.05408	1.0
122.94524	0.6
145.02971	14.5
163.04028	56.0
164.04379	1.0
191.51170	0.6
250.06380	0.9
251.07288	2.7
251.14940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0563
Annotation	MONO(3-CARBOXYPROPYL) PHTHALATE
Peak:m/z	Relative Intensity
56.39267	0.6
57.03487	1.1
59.01433	1.2
67.67332	0.5
69.45003	2.4
73.02976	0.7
77.99374	0.5
79.41649	0.5
83.05082	0.6
85.02981	1.1
93.03520	0.7
95.05092	1.7
101.62860	0.7
106.04240	4.3
107.05111	0.5
107.08704	0.5
109.06689	0.6
111.04594	1.0
113.02518	0.9
113.06110	1.2
115.04042	0.8
117.03481	0.7
119.05090	1.8
121.02978	1.3
121.06615	8.2
123.08223	1.8
130.04253	3.7
134.56151	0.6
135.04596	1.9
137.06192	0.8
137.09769	0.6
139.07738	0.8
143.05032	1.6
145.02971	1.9
145.06609	10.1
146.03717	1.2
147.04512	3.0
148.05324	36.0
149.05927	0.6
151.07703	0.8
161.02417	0.7
161.06075	1.3
161.09750	0.6
163.07666	100.0
164.07993	2.3
165.09337	0.9
174.03212	4.6
175.04045	0.9
179.03606	0.6
189.05573	10.2
189.09196	1.8
189.12871	8.6
195.02686	0.7
205.06567	0.9
207.04852	0.7
207.06648	6.7
207.10188	1.2
207.13914	1.0
207.98274	0.7
218.36537	0.7
222.06833	1.3
223.07556	1.6
233.04504	5.7
234.06726	0.7
250.06274	1.6
250.14444	2.8
251.05486	67.7
251.09448	2.2
251.12729	10.3
251.14828	4.4
252.05797	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	251.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03120	0.5
59.01379	2.4
69.53461	2.2
71.01399	0.5
72.99324	2.8
75.00874	5.1
82.18900	0.6
87.00887	4.6
104.73983	0.6
105.01946	100.0
106.02267	0.9
117.03478	4.5
118.03680	0.5
119.05042	25.1
135.04524	2.1
140.03375	0.5
145.02963	15.9
163.04024	29.8
164.04459	0.6
179.03493	1.0
182.22910	0.5
183.53954	0.5
193.67043	0.6
221.06226	0.6
222.06908	1.0
223.07678	0.9
250.06438	1.7
250.14435	1.0
251.07219	9.5
251.14812	2.8
252.07527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.104
Annotation	H-TYR-ALA-OH
Peak:m/z	Relative Intensity
52.77857	0.9
55.01873	1.6
57.03450	1.8
57.18668	0.9
59.01386	21.2
70.58337	1.9
71.01391	23.5
73.02945	9.3
82.02994	1.5
83.01390	3.9
84.04553	3.5
85.02962	13.8
87.00861	1.2
89.02459	3.1
92.05072	13.0
95.01402	1.9
97.02975	0.8
99.00887	3.3
101.02451	20.1
102.05615	28.2
105.01922	1.8
106.06639	1.1
110.11472	0.9
113.02457	8.4
117.09215	1.1
119.05053	1.3
120.04573	15.8
121.25951	1.1
122.06143	5.6
125.02507	1.3
128.03558	100.0
129.03908	1.9
135.04561	6.5
146.04608	33.8
150.74939	0.9
159.03012	1.9
159.09378	1.9
161.02419	0.9
161.04573	3.5
163.04054	1.9
179.03580	4.9
190.85158	1.5
233.09351	4.5
241.53493	0.9
251.10396	51.0
251.14511	7.9
252.10713	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	251.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.0
57.03454	6.1
59.01387	100.0
71.01390	90.2
72.99328	2.8
73.02953	39.4
75.00877	2.8
78.91908	2.6
83.01398	17.0
85.02960	43.3
87.00891	4.9
87.04536	1.6
89.02458	19.2
89.02964	2.0
95.01409	5.2
97.02935	1.4
99.00890	11.9
101.02457	97.5
102.02808	3.3
111.00871	2.1
113.02464	41.9
119.03509	7.2
119.05004	1.4
125.02450	2.1
131.03485	1.3
135.04521	3.6
143.03502	4.6
159.03004	7.3
161.04590	34.8
170.28091	1.1
179.03470	1.7
190.96982	5.9
196.62483	1.2
205.95612	2.0
208.97971	11.8
209.97952	2.5
250.99020	17.2
251.07317	2.8
251.11382	21.0
251.14624	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	251.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.0
57.03454	6.1
59.01387	100.0
71.01390	90.2
72.99328	2.8
73.02953	39.4
75.00877	2.8
78.91908	2.6
83.01398	17.0
85.02960	43.3
87.00891	4.9
87.04536	1.6
89.02458	19.2
89.02964	2.0
95.01409	5.2
97.02935	1.4
99.00890	11.9
101.02457	97.5
102.02808	3.3
111.00871	2.1
113.02464	41.9
119.03509	7.2
119.05004	1.4
125.02450	2.1
131.03485	1.3
135.04521	3.6
143.03502	4.6
159.03004	7.3
161.04590	34.8
170.28091	1.1
179.03470	1.7
190.96982	5.9
196.62483	1.2
205.95612	2.0
208.97971	11.8
209.97952	2.5
250.99020	17.2
251.07317	2.8
251.11382	21.0
251.14624	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	251.1654
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
52.82672	2.4
58.65217	2.3
72.26550	2.5
76.77866	2.8
92.79420	2.3
99.20859	2.6
137.09729	100.0
138.10010	3.2
141.90596	3.1
150.12398	2.5
205.15964	11.3
207.17526	40.7
251.05103	4.1
251.14766	28.9
251.16595	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	253.0874
Annotation	Magnaldehyde E
Peak:m/z	Relative Intensity
57.05742	0.8
59.01360	1.2
92.80553	0.9
101.75847	0.9
121.03001	1.5
170.69350	1.0
181.10228	2.5
209.06102	20.0
210.06908	8.2
223.07707	6.4
225.09242	91.7
226.09630	4.9
229.34148	1.1
237.05664	1.0
238.06316	2.0
251.07155	2.9
252.07895	1.8
253.08742	100.0
254.09131	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	253.0932
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
54.41718	2.3
56.21669	2.2
59.01387	100.0
68.18666	2.4
69.99551	5.1
69.99915	5.2
71.01392	14.9
73.02936	4.2
78.95905	3.4
80.61856	2.3
83.01382	2.8
85.02982	3.1
85.85426	2.4
89.02453	9.9
101.02473	11.8
113.02437	5.6
121.02885	2.7
121.03086	2.7
121.04099	51.7
136.98602	3.3
146.58627	2.4
154.97551	3.8
161.04527	5.9
161.19057	2.4
162.96494	7.2
170.97862	4.0
192.97519	4.3
206.59258	2.8
253.09258	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0932
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
54.27962	1.1
55.01885	1.8
55.20065	1.2
59.01385	51.9
70.58184	2.3
71.01389	16.3
73.02934	2.4
83.01415	2.0
83.47488	1.3
84.58101	1.3
85.02962	3.7
89.02454	12.7
89.55904	1.3
99.00903	2.8
101.02457	13.2
113.02454	5.2
119.03526	3.4
121.04095	1.5
136.96465	2.3
137.71019	1.3
144.09036	1.4
144.28703	1.4
154.97542	100.0
155.97874	1.5
161.04556	5.2
161.46309	1.3
179.05540	2.0
198.63971	1.2
253.09361	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	253.1236
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
55.01884	2.7
59.01382	0.1
76.00366	0.1
79.95726	0.2
84.92120	0.1
109.06544	0.1
110.02437	0.1
135.04561	0.1
161.02454	0.2
170.07393	2.1
171.07663	0.1
194.07375	0.1
195.08119	0.2
197.09740	0.2
204.59375	0.1
209.09740	3.0
209.15511	0.1
210.06911	0.2
210.10532	0.7
222.06894	2.6
223.07663	3.2
224.08063	0.2
225.05443	0.1
225.12862	0.4
236.08377	0.1
237.09230	23.2
238.09993	18.5
238.12570	0.2
239.10399	0.9
252.07925	0.2
253.12360	100.0
254.12703	5.9
270.09006	8.7
271.09366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2176
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01373	1.7
61.98838	1.4
66.00066	0.9
67.13730	0.6
70.00948	0.7
73.36360	0.7
83.05027	1.7
89.02458	0.8
98.21879	1.4
116.92815	0.7
121.02979	0.9
132.84570	0.8
193.47908	0.8
199.79135	0.7
204.44034	0.7
235.20796	0.9
253.21762	100.0
254.22070	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	254.0452
Annotation	Imidacloprid
Peak:m/z	Relative Intensity
52.12019	0.6
64.77664	0.6
69.31120	2.9
78.21609	0.7
85.99969	13.2
90.97584	0.6
109.02953	2.5
117.04597	1.0
131.49385	0.6
150.19551	0.7
153.02272	36.9
207.04424	2.5
210.04424	3.2
254.04521	100.0
255.04698	2.3
255.06914	1.5
270.52554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0664
Annotation	Haginin D
Peak:m/z	Relative Intensity
59.01387	0.5
70.50420	0.5
70.87717	0.5
81.03455	0.9
81.18245	0.5
90.58962	0.5
93.03516	0.6
108.02182	2.4
109.02965	100.0
110.03311	2.1
117.03470	2.4
121.02953	1.6
133.02979	8.0
135.04512	1.4
145.02971	25.2
146.03777	2.9
151.03905	0.4
152.91737	1.6
180.05817	0.6
181.06622	0.9
183.04497	0.6
184.05374	0.6
185.06107	2.2
193.06627	0.6
194.92708	2.2
198.06862	1.2
199.07663	1.8
209.06082	3.8
210.06856	2.1
211.04060	1.0
211.07669	11.5
211.09427	0.4
212.04759	1.0
212.08051	0.5
213.05566	1.1
220.29730	0.4
221.06020	0.8
225.05620	1.1
226.06258	0.6
227.07124	2.2
237.05556	5.7
238.06313	4.2
240.04240	1.3
253.05243	0.5
254.05809	1.9
255.06644	80.1
255.23322	28.3
256.07040	4.0
256.23834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1968
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
98.21838	1.1
101.06079	1.2
109.02936	0.7
112.08639	0.4
113.06097	0.7
132.95749	0.4
139.11330	0.8
180.00957	0.4
194.92769	0.6
209.19223	0.5
219.84515	0.9
230.56207	0.4
255.02971	1.6
255.06638	0.9
255.19681	100.0
255.23242	7.1
256.04092	0.5
256.20026	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	257.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.2
70.62154	5.9
72.00919	4.8
74.02495	12.6
78.95932	5.9
79.64542	3.4
82.02988	8.4
84.04549	9.6
93.08835	3.5
99.00968	4.1
101.47974	3.1
101.87924	3.2
110.94819	3.3
112.04071	11.3
118.24582	3.4
119.34575	3.5
124.04137	6.3
126.05633	5.4
127.05157	14.2
128.03578	41.9
143.10992	3.6
154.91402	4.6
154.96077	3.9
169.09846	6.2
174.99196	4.7
195.11435	11.9
196.92314	8.6
203.33034	3.0
211.07587	3.8
213.12468	9.2
214.07239	7.4
239.10429	26.4
256.23663	21.0
257.08612	5.9
257.11475	100.0
257.23764	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	257.0823
Annotation	Xanthoxyletin
Peak:m/z	Relative Intensity
63.58798	0.6
69.56770	1.8
70.53123	0.5
79.95765	0.8
91.05530	0.9
109.02959	2.2
123.58484	0.6
134.03734	0.8
135.04544	6.9
135.13573	0.6
147.04543	1.4
169.12375	0.8
172.05304	1.7
183.08043	0.6
185.06082	1.9
185.09761	1.2
195.08224	0.7
197.06071	2.1
198.06885	22.0
210.50076	0.6
211.07657	18.0
211.30000	0.6
212.08340	1.6
213.09258	21.2
213.11290	1.6
214.09525	1.0
230.05753	1.3
239.07188	3.6
255.06778	0.8
256.23657	1.1
257.08234	100.0
258.08505	3.8
275.09293	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	257.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48513	0.4
66.12019	0.4
69.06009	3.4
81.03408	0.4
84.74193	0.4
89.04025	0.6
107.01418	2.1
121.03008	0.9
122.03773	2.7
123.04530	1.8
124.01732	0.6
133.02980	0.8
135.00879	1.3
137.02463	6.3
137.31323	0.4
139.04045	1.0
144.19778	0.5
144.55933	0.4
149.02435	2.6
150.03238	9.0
151.03996	1.9
152.01157	5.7
161.02469	5.0
163.00386	61.7
163.04042	1.5
164.01167	17.4
165.01965	2.7
167.03542	2.3
177.01956	2.6
178.02730	11.0
179.03444	1.8
180.04285	1.1
193.05011	1.2
195.03000	100.0
196.03410	3.7
209.04523	0.6
210.05356	46.2
211.06067	7.8
212.06778	0.9
225.07706	7.6
227.05609	2.6
238.13046	0.4
242.07985	13.8
243.08394	0.7
245.20845	0.5
249.09181	0.5
257.08197	0.7
257.10349	8.9
258.10605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1187
Annotation	Candenatenin C
Peak:m/z	Relative Intensity
51.65482	0.4
56.75545	0.4
57.03463	0.6
65.15799	0.4
92.92736	0.5
96.69556	0.4
98.21898	1.3
116.92871	1.3
127.27434	0.4
141.07094	0.8
156.05841	2.2
156.32809	0.5
157.06609	25.8
158.07018	0.7
170.07442	2.8
185.06088	1.0
194.07397	0.5
196.08963	0.4
197.06102	1.2
198.06728	0.4
199.07762	0.7
202.06396	1.1
209.09753	2.3
211.11302	8.8
212.11618	0.6
219.84627	1.8
220.84694	0.8
221.84286	4.4
224.08524	1.0
225.09209	0.7
227.10789	5.0
237.09282	0.6
239.10767	7.4
255.10324	2.0
256.10712	0.5
257.11862	100.0
258.12192	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	257.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.6
59.01369	5.2
69.03435	3.9
69.44639	5.1
69.45025	6.9
71.01390	3.2
71.05017	3.9
78.24577	1.8
81.03447	9.4
81.52347	2.8
82.87597	2.0
83.05033	12.3
85.06588	2.6
87.00887	100.0
88.04034	6.6
89.02444	16.0
90.57926	2.4
93.03469	2.9
94.09555	2.3
95.05008	2.2
98.21819	2.6
99.00884	3.1
109.02898	4.8
109.06592	7.5
111.08176	31.1
113.06110	7.4
129.09227	4.2
129.10197	2.4
130.08759	4.1
135.04434	4.3
135.08171	2.8
139.07639	2.6
139.27797	2.4
151.11304	6.8
152.69563	2.4
153.09096	2.1
161.02565	2.5
167.10776	4.8
168.06625	6.0
173.00060	2.1
176.04054	4.7
177.12781	5.4
179.03557	5.0
181.46233	2.3
185.06119	4.6
191.40767	2.0
195.08096	2.4
195.10240	3.8
195.13870	4.7
198.06795	6.1
211.07684	15.3
213.09314	16.4
256.23505	2.4
257.05612	3.3
257.08237	46.5
257.11005	3.2
257.13925	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48611	0.1
59.01373	0.2
62.63047	0.1
62.96409	0.3
69.69799	0.4
71.01399	0.2
72.08330	0.1
77.74130	0.1
78.95911	100.0
95.31026	0.1
96.96972	56.7
98.22559	0.3
101.02480	0.3
102.62151	0.1
117.23672	0.1
136.94968	0.3
138.98036	4.8
150.98006	0.3
168.99030	1.1
178.94806	0.1
178.96062	1.8
180.99129	0.1
196.92641	0.9
198.90569	4.1
199.00134	1.2
199.90535	0.2
207.99484	0.1
214.93695	2.2
215.17375	0.1
216.90637	9.4
217.90765	0.5
223.00201	0.2
234.91663	0.9
240.89110	0.1
240.91615	4.2
241.01212	4.2
241.91774	0.2
258.92368	6.4
259.02243	16.5
259.92697	0.3
260.02612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
70.22766	1.0
71.01383	0.5
78.95911	92.2
86.82730	0.3
96.96970	100.0
101.02432	0.6
114.92041	1.0
117.95555	0.5
126.61662	0.3
138.98039	5.7
139.61511	0.3
156.93111	0.7
158.92812	0.6
159.96558	0.8
168.99034	2.6
178.96074	0.4
198.90533	1.5
199.00143	2.7
209.00697	0.4
214.93697	1.0
216.90501	2.0
240.91599	1.6
241.01237	2.9
258.92886	2.4
259.02252	17.5
260.02655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.1
71.01387	8.6
71.38434	3.0
73.02956	2.5
78.95912	92.4
84.28371	2.4
87.00895	3.2
96.96971	100.0
99.00878	10.7
101.02446	10.3
102.05626	6.6
110.80550	2.3
112.98815	9.9
114.05638	2.8
116.07185	29.4
117.07529	7.5
132.98201	3.3
138.98035	5.1
173.01186	3.6
186.49695	3.5
198.99100	19.3
199.02319	3.8
217.00481	3.6
259.02377	13.8
259.08490	6.3
260.04800	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	259.134
Annotation	Lacinilene C 7-methyl ether
Peak:m/z	Relative Intensity
57.03439	1.4
60.61818	0.4
62.88638	0.3
63.27086	0.3
65.49450	0.3
69.25993	2.1
69.50581	0.4
87.04528	0.6
99.04523	0.6
108.50923	0.4
117.05602	0.4
143.05005	1.3
144.05815	1.0
152.79131	0.3
157.06577	3.0
158.07333	0.8
159.08165	17.4
160.08507	0.6
166.11598	0.3
169.06424	0.3
171.08165	2.1
172.08931	2.2
187.07661	6.6
189.09169	0.4
199.07722	0.4
201.09236	1.6
204.08037	0.9
211.11302	1.4
213.09242	1.6
213.12868	11.5
214.09946	0.6
214.13208	0.4
221.84200	0.5
222.84090	0.4
225.09201	0.4
227.10756	1.2
229.12350	9.9
239.10701	0.5
241.12404	7.2
257.11874	4.7
259.13403	100.0
260.13742	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	259.1704
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
69.60962	0.9
78.95909	0.2
82.94163	0.2
98.22616	0.4
120.90297	0.2
142.06865	0.2
173.06027	0.3
175.07651	0.4
187.07648	2.2
188.08435	0.7
200.14397	0.2
201.09230	0.3
242.13063	1.1
243.13885	1.8
244.14465	0.4
259.17047	100.0
260.17365	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	260.093
Annotation	Annomontine
Peak:m/z	Relative Intensity
52.57021	1.2
59.01385	1.1
71.66096	1.0
115.12312	1.1
132.02184	3.2
133.02977	45.9
147.03282	83.7
147.88745	1.1
148.03648	2.2
160.04048	3.0
160.05319	1.4
160.36513	1.1
175.02715	3.2
188.03551	1.2
189.09200	1.4
202.05133	3.2
203.05928	1.9
216.10318	3.4
221.84146	1.8
223.83896	2.7
232.09792	30.8
260.09296	100.0
261.09671	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	261.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77539	8.2
58.02973	30.7
58.84139	9.2
59.01383	55.9
59.50745	10.0
61.98817	17.7
68.21619	7.1
69.77424	20.8
72.11240	7.9
74.02477	70.8
74.16044	7.8
82.02986	30.5
86.06143	8.4
87.05629	54.2
96.04539	19.3
97.04078	33.5
98.02468	12.8
99.05674	41.6
103.01523	27.2
105.73492	7.2
108.04546	20.7
112.04071	47.7
112.07716	20.9
113.03577	28.3
116.92919	10.3
118.81219	7.2
118.94226	33.3
121.27317	7.4
124.04044	23.3
125.04880	11.4
125.09704	7.9
126.05645	18.3
127.05154	36.0
134.89439	16.6
137.07242	14.4
140.07195	38.8
142.44374	8.5
143.04678	13.6
152.03539	18.6
155.08279	74.9
165.06709	54.3
165.63948	7.5
169.06262	10.8
183.07759	96.7
184.08083	9.2
196.53813	9.2
215.06702	12.5
217.00377	13.6
227.06778	100.0
260.87363	28.6
261.05484	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1135
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
59.01379	1.0
70.92520	0.3
81.37074	0.2
91.05525	0.3
93.03496	0.3
105.03468	0.3
106.04266	0.4
107.05042	1.0
116.92892	0.2
117.03488	0.6
118.94231	0.3
121.02924	0.6
132.02219	0.4
133.02972	19.0
134.03760	12.6
135.04541	100.0
136.04854	2.2
137.02463	3.1
139.04024	1.0
141.44905	0.2
147.04547	0.3
148.05327	2.1
161.02464	26.3
162.02835	0.4
178.02748	0.8
178.06795	0.3
179.03519	49.4
180.03893	1.2
208.60866	0.3
209.00099	0.2
261.11337	94.9
262.11685	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	261.1133
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
53.57782	1.0
59.01380	6.9
65.82936	1.1
69.67486	2.4
69.67832	2.3
98.21906	2.3
103.01518	3.3
106.04279	2.7
111.00903	2.1
121.02950	5.9
133.02968	21.1
134.03758	73.2
135.04579	12.1
137.02449	31.4
139.04031	11.2
149.02496	1.4
150.03256	3.6
160.08936	3.3
161.02454	3.8
174.06923	2.6
178.02731	23.7
179.03528	17.7
217.12306	3.1
235.17043	11.5
261.11337	100.0
261.14856	3.2
262.11713	5.3
273.95099	1.2
282.02594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1134
Annotation	Perydiscolic acid
Peak:m/z	Relative Intensity
59.01385	18.2
61.27286	2.9
68.56065	3.0
71.41507	3.7
74.02451	2.8
103.01511	8.3
134.03304	3.1
136.89308	3.3
147.08168	5.4
148.03566	5.6
162.06844	3.4
163.07674	100.0
164.08046	4.2
173.13387	6.2
174.99301	3.5
175.11313	6.1
189.12938	4.2
201.09206	3.2
202.09987	11.0
217.10281	5.4
217.12354	90.9
218.12773	3.4
224.95425	3.2
231.17343	3.0
253.12085	2.9
261.11609	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1292
Annotation	Mansonone Q
Peak:m/z	Relative Intensity
50.72612	0.6
61.98832	1.6
63.39887	0.5
69.50421	1.7
69.50767	1.2
78.95902	0.6
121.02973	1.6
131.39734	0.7
133.02971	18.9
134.03772	18.1
134.89384	0.7
135.04544	26.6
136.04878	1.4
137.02470	7.0
139.04037	2.8
145.03056	0.6
161.02466	32.7
162.02840	0.9
178.02747	2.4
179.03514	12.9
263.12915	100.0
264.13303	5.4
269.37271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.088
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
52.01903	0.6
59.01381	4.2
71.01397	2.7
71.40529	0.7
72.04558	19.2
82.02994	100.0
83.03322	0.9
83.55975	0.5
85.02955	1.5
89.02452	2.7
93.03439	0.6
98.02489	29.4
100.04057	39.3
101.02465	1.3
103.63269	0.6
106.04244	1.3
107.05058	1.5
113.02476	1.5
118.42651	0.6
119.05042	41.3
120.05367	1.4
122.02507	1.4
126.11965	0.5
154.97424	0.6
191.05652	7.8
192.10335	6.0
216.72891	0.5
218.08253	10.0
220.09811	19.4
221.09937	0.6
224.77135	0.6
236.09261	0.8
242.37820	0.6
251.94887	0.5
264.08804	48.3
265.06439	0.7
265.09174	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	264.0879
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
52.02858	1.2
57.67670	1.3
57.84015	1.4
59.01359	1.7
69.87123	4.0
72.04176	1.3
72.04561	24.2
74.02449	1.3
82.02993	100.0
84.04557	1.6
89.38991	1.2
98.02487	37.2
99.92626	2.6
100.04055	40.6
101.07196	3.2
106.04272	1.8
109.04054	3.3
119.05042	45.0
127.05157	17.5
178.05107	1.8
192.10316	7.8
215.09543	1.4
218.08231	11.2
220.09824	20.3
238.42961	1.3
247.10933	3.7
264.08786	50.5
264.16064	3.9
265.05118	2.2
265.09125	2.6
265.11917	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	265.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	0.9
59.01384	16.1
64.96785	0.4
70.49725	1.0
71.01392	3.7
72.81181	0.4
74.15519	0.4
83.01377	0.8
89.02445	0.9
93.03482	0.9
96.96001	0.7
98.22599	0.5
101.02460	2.6
101.95598	0.4
106.04276	0.7
117.03479	26.8
118.04299	3.0
119.05041	43.8
120.05401	1.0
121.02966	3.2
123.04548	1.0
131.05038	1.2
132.05823	4.6
133.03024	1.1
133.06613	18.9
134.03757	5.4
137.02438	0.6
142.32574	0.4
145.02968	100.0
146.03285	2.6
147.04465	0.5
149.06085	1.9
159.04497	0.6
160.01715	1.4
161.06096	41.6
162.03261	1.9
162.06430	1.2
163.04024	25.8
164.04497	0.8
175.04018	1.3
177.05663	1.7
177.09558	1.0
178.01361	0.4
178.02737	2.6
187.04036	2.3
190.02800	1.1
191.03505	1.2
193.05070	5.8
205.05077	37.7
206.05678	3.1
207.03166	0.7
220.03729	0.6
221.08220	1.9
237.05521	1.5
250.04918	0.8
265.05002	1.9
265.07260	23.0
266.07581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0722
Annotation	Diaportinol
Peak:m/z	Relative Intensity
59.01388	16.5
69.47093	0.8
69.47492	1.2
71.01108	0.3
71.01402	3.3
86.40813	0.4
89.02455	1.7
93.03451	0.9
101.02458	2.3
106.04210	0.6
117.03487	30.2
118.04324	2.2
119.05046	43.7
120.05353	0.9
121.02984	3.5
123.04530	1.0
130.04169	0.5
131.05051	0.9
132.05818	5.4
133.02983	0.6
133.06612	17.4
134.03650	0.6
135.04515	1.0
145.02972	100.0
146.03273	2.8
147.04541	0.9
159.04550	0.8
161.06105	39.8
162.03223	1.3
162.06454	1.1
163.04030	23.3
177.05609	1.7
177.09508	0.6
180.05855	0.7
181.06615	1.4
187.04018	2.9
193.05063	0.7
193.06616	1.3
205.05081	36.8
206.05507	1.6
208.05344	0.9
209.06084	5.0
219.04613	1.3
220.05338	0.6
221.06155	0.8
236.04796	1.8
237.05605	8.0
247.03944	1.0
248.04710	1.7
264.04214	1.0
265.05008	17.2
265.07269	20.3
266.05106	2.1
266.07928	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	265.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19863	0.7
57.44679	0.8
59.01390	1.5
69.23467	4.9
72.00890	0.8
74.02489	2.5
82.02992	4.0
84.04566	1.7
86.02489	1.3
92.05071	90.4
93.05392	2.1
98.21872	2.0
99.54673	0.8
110.02489	0.9
111.48646	0.8
119.05045	1.6
128.03557	97.7
129.03935	1.9
133.02911	0.9
135.04515	2.0
136.04060	100.0
137.02022	1.2
137.04431	2.2
146.06114	2.4
177.10361	1.4
183.05634	3.1
185.07211	28.9
186.07761	0.9
199.05173	2.3
203.08264	4.8
204.06596	1.6
207.73244	0.9
209.06079	2.1
221.09424	2.3
229.06206	9.0
236.13969	0.9
237.05565	3.9
247.07318	5.4
248.04878	1.2
264.88937	1.3
265.05090	9.5
265.08328	26.5
265.88303	1.9
266.05676	1.6
266.08350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0872
Annotation	Typharin
Peak:m/z	Relative Intensity
52.01619	0.3
55.01881	7.0
59.01371	0.3
67.03294	0.4
69.01258	0.3
95.05029	0.6
96.96044	0.6
99.23204	0.4
106.47927	0.4
108.06371	0.3
121.02947	0.4
153.03310	0.4
165.07060	0.4
181.06532	0.6
191.14474	0.7
193.10242	11.9
194.10574	0.6
196.17053	0.4
221.09731	100.0
222.10075	4.5
223.13391	1.8
237.05562	0.8
237.09219	0.4
265.05090	2.9
265.08606	2.4
265.14520	1.2
266.05670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0874
Annotation	CHEMBL2147420
Peak:m/z	Relative Intensity
55.01881	1.7
58.53041	0.3
59.01365	0.5
62.99647	0.3
64.06744	0.4
66.64482	0.3
69.98259	1.2
78.42641	0.4
85.42744	0.3
96.96020	1.1
153.07155	1.4
165.07086	1.2
191.08694	0.8
193.06618	0.4
193.10263	1.1
205.06502	0.6
209.06094	1.7
211.07652	0.6
221.06104	9.4
221.09726	1.1
222.06821	1.5
235.07642	6.3
236.08270	1.0
237.09238	51.5
238.09477	2.3
249.05573	0.9
250.06313	0.4
263.07089	0.6
264.07956	1.0
265.08725	100.0
266.09024	5.0
271.67300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1195
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
58.02978	4.4
59.01358	2.4
69.62541	1.8
69.62939	2.3
70.02982	1.5
72.00919	1.4
72.04541	1.5
74.02505	5.4
74.02853	1.2
82.02982	7.4
83.03321	2.7
84.04554	7.0
85.02926	0.9
86.02485	1.6
94.78558	0.8
98.02444	2.1
98.22579	1.4
99.02834	1.3
99.05647	2.6
100.04025	1.7
101.07204	11.1
107.82623	0.8
109.04079	9.9
119.05036	10.9
120.05317	1.8
127.05145	64.2
128.03549	10.9
135.04536	1.6
136.07716	2.1
145.06160	1.3
190.08739	1.9
197.00867	1.0
204.10207	0.8
219.11420	2.9
221.10182	1.9
221.12955	4.0
247.10898	21.5
265.09344	4.2
265.11938	100.0
266.12225	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1234
Annotation	Magnolol
Peak:m/z	Relative Intensity
50.49473	0.2
50.51737	0.3
58.65977	0.3
69.87723	1.0
96.96026	3.9
98.22602	0.4
209.82272	0.3
249.09242	2.1
250.09975	5.2
251.10342	0.3
265.12347	100.0
265.14594	3.6
266.12674	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	265.1238
Annotation	Magnolol
Peak:m/z	Relative Intensity
59.01367	0.6
69.91962	1.1
70.62348	0.3
85.63371	0.3
96.96018	2.6
101.59293	0.4
129.74857	0.4
171.95435	0.4
175.74286	0.3
215.96339	0.4
223.07564	0.7
240.62341	0.4
245.09735	5.3
246.10236	0.6
247.11295	16.9
248.11642	1.0
257.92465	0.4
265.12372	100.0
266.12674	5.8
279.29358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1812
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
59.01351	0.4
63.47932	0.2
63.78561	0.3
64.22985	0.3
66.36334	0.3
70.34377	0.7
71.28711	0.3
74.93373	0.3
93.03426	0.5
96.96011	1.7
97.06606	0.5
112.37489	0.3
113.09725	0.5
114.74417	0.3
123.08178	0.5
125.09737	2.7
125.27781	0.2
139.07675	0.5
149.09680	0.3
150.10519	0.4
218.47920	0.3
221.19118	66.4
222.19418	3.2
223.07681	0.5
243.08025	0.4
245.09712	5.4
246.10040	0.3
247.11292	15.8
248.11650	0.9
265.12344	100.0
265.18082	20.8
266.12704	7.1
266.18488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
59.61573	0.7
64.96006	0.7
65.00270	0.6
71.62230	0.6
101.02444	0.9
134.04695	1.3
135.04503	1.5
140.02040	2.2
142.00642	0.8
157.03520	1.8
158.03751	4.5
159.03314	1.5
166.99515	1.0
168.02734	2.3
174.59700	0.6
179.46288	0.7
183.01501	1.7
184.01007	100.0
185.01181	6.4
217.36589	0.6
227.06357	0.6
267.06897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0897
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.32378	0.2
59.01383	0.4
65.01437	0.2
70.02242	0.5
92.02563	1.8
105.01945	1.5
107.03653	5.4
129.06630	0.2
134.04747	100.0
135.05244	1.2
145.74118	0.2
161.02554	0.3
184.01085	0.7
266.08978	8.6
266.11865	0.5
267.09369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17949	0.3
56.76073	0.4
59.01382	1.8
61.90918	0.3
69.90968	0.7
69.91334	0.7
72.99309	3.3
75.00881	5.3
84.91979	0.4
98.21992	0.5
105.01943	100.0
106.02280	0.9
131.48100	0.5
132.02182	0.6
133.02968	9.3
134.03795	0.6
135.04538	4.4
139.00870	0.4
154.50369	0.3
156.72000	0.3
161.02455	36.7
162.02806	1.0
179.03508	3.0
239.07178	0.5
267.04971	0.6
267.06940	0.8
267.10614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40109	0.3
59.01384	0.8
59.61831	0.4
64.00478	0.4
70.68954	0.5
72.99317	0.8
75.00881	0.8
78.95911	45.4
96.96969	100.0
105.01946	20.1
109.02967	1.4
115.00339	0.4
121.02981	0.7
133.02950	1.6
135.04524	1.4
160.52341	0.4
161.02467	7.7
179.03510	0.6
209.06114	0.5
211.07663	0.5
238.06198	0.5
239.03441	0.6
239.07181	1.0
249.05597	0.6
250.06339	0.6
258.90872	0.5
267.06625	5.5
268.07037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
65.03976	0.8
74.99088	0.8
77.26308	0.5
79.92767	0.5
81.03443	0.8
93.03471	6.8
105.03499	0.7
108.02186	2.6
109.02960	100.0
110.03310	2.2
117.03477	2.3
121.02959	9.6
130.04245	1.0
130.47960	0.5
131.05066	0.7
133.02997	1.5
135.04532	1.5
135.41441	0.5
145.02957	9.6
146.03761	2.9
147.04506	0.6
158.03766	2.2
159.04539	3.2
161.02493	1.2
165.07115	1.0
167.10815	0.8
169.06606	1.3
181.06644	0.8
183.04477	1.1
183.08163	1.7
193.06635	4.4
193.08183	0.6
195.08240	1.0
196.05328	2.6
197.06148	3.1
204.05748	0.7
209.06032	3.2
210.06888	2.0
211.04091	0.8
211.07664	10.6
220.05408	1.3
221.06093	9.8
222.01607	0.6
222.06863	8.3
223.07684	1.8
223.13443	1.0
224.04791	2.0
225.05553	1.9
237.05551	3.6
238.06363	4.9
239.07149	22.9
240.07547	1.4
248.04747	0.9
249.05606	6.8
250.06354	19.2
251.06851	1.0
265.05032	3.1
266.05856	8.3
267.06638	99.8
268.06949	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0666
Annotation	Isoformononetin
Peak:m/z	Relative Intensity
69.82339	1.2
78.06873	0.3
88.06569	0.4
93.03471	1.9
98.22559	0.4
108.02167	1.1
109.02965	19.9
117.03472	1.5
121.02980	3.3
130.04297	0.7
131.05025	0.8
133.03009	0.9
135.04564	0.7
137.02481	0.4
141.07104	0.5
145.02950	4.1
146.03714	0.7
158.03761	2.9
159.04533	5.9
161.02493	0.5
165.07135	1.1
167.05057	0.8
167.08681	0.6
169.06636	0.7
183.04543	1.7
183.08160	2.5
193.06604	6.0
193.10254	8.4
194.07335	0.9
195.04590	0.8
195.08173	1.1
196.05331	4.1
197.06053	3.5
199.07629	0.4
204.05763	1.0
209.06120	6.3
210.06920	2.1
211.07643	11.5
212.08012	0.5
219.04504	0.8
220.05400	1.8
221.06084	7.3
222.06866	6.7
223.04027	0.4
223.07646	1.3
224.04836	2.9
225.05440	0.6
232.05254	0.6
237.05574	6.2
237.07765	0.6
238.06334	5.4
239.03575	0.4
239.07149	11.8
248.04877	2.4
249.05609	6.5
250.06369	20.1
251.06732	1.3
265.05063	4.1
266.05869	11.2
267.06644	100.0
268.07065	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0666
Annotation	Isoformononetin
Peak:m/z	Relative Intensity
52.71434	0.3
65.03954	0.4
70.07731	0.3
73.03917	0.3
78.37556	0.4
81.03474	0.4
92.70372	0.4
93.03474	4.7
102.81119	0.4
108.02192	1.1
109.02965	60.8
110.03299	1.2
111.42350	0.4
117.03477	2.2
121.02969	13.7
122.03355	0.4
130.04242	0.7
131.05066	0.9
133.02960	1.1
135.04602	0.6
141.67294	0.3
145.02965	9.6
146.03696	1.2
158.03743	3.0
159.04529	3.3
161.02425	0.5
165.07156	1.0
169.06609	0.9
180.05867	0.7
181.06523	0.7
183.04626	0.5
183.08144	2.2
193.06566	3.4
194.07220	0.8
195.04428	0.9
195.08174	1.3
196.05312	4.1
197.06142	5.1
199.07605	1.1
204.05727	0.9
205.06607	0.5
209.06081	2.5
210.06844	1.4
211.07666	6.4
220.05330	1.7
221.06102	7.4
222.06874	4.4
223.04131	0.6
223.07593	3.0
224.04816	7.0
224.81639	0.5
225.05513	1.9
232.05263	0.6
237.05614	3.4
238.06345	4.4
239.07161	13.5
240.07544	0.4
242.05714	0.4
248.04785	1.5
249.05580	10.6
250.06355	13.1
250.08960	0.8
251.06711	0.8
252.04073	0.3
253.05206	0.5
265.05072	3.1
266.05856	7.5
267.06644	100.0
268.07077	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03966	0.6
69.11069	1.3
72.99329	0.9
81.03452	0.5
91.01874	0.3
93.03472	4.7
95.05045	0.6
105.03502	0.4
108.02191	2.6
109.02962	82.9
110.03326	1.5
110.75378	0.3
117.03478	1.8
121.02964	6.3
123.04523	0.5
130.04266	0.4
131.05078	0.6
133.02995	0.8
134.03719	0.5
135.04549	3.9
145.02971	6.4
145.04103	0.4
146.03778	2.3
147.04559	0.6
151.71210	0.3
158.03749	3.4
159.04538	4.0
161.02455	0.5
165.07152	0.9
167.05086	0.3
167.08688	0.6
168.05818	0.4
169.06601	1.1
173.02426	0.4
174.03250	0.9
179.03484	0.6
180.05753	0.6
181.06602	0.4
183.04564	0.5
183.08186	1.3
185.02368	0.4
193.06590	4.3
194.07320	0.7
195.04456	0.9
195.08150	0.9
196.05356	2.2
197.04552	0.6
197.06108	2.6
199.07738	0.5
204.05853	0.6
205.06578	0.3
206.07254	0.4
209.06129	3.0
210.06807	1.7
211.04012	0.9
211.07654	8.7
212.04884	0.5
220.05339	1.2
221.06090	7.6
222.06868	6.3
223.04066	0.4
223.07591	2.3
224.04819	2.9
225.05681	1.6
232.05409	0.4
237.05637	3.1
238.06337	4.3
239.07150	21.0
240.07491	0.7
248.04863	0.8
249.05597	8.4
250.06348	15.3
251.03513	1.2
251.06752	0.6
252.04268	1.5
253.05045	0.5
265.05072	2.5
266.05817	8.0
267.06638	100.0
268.06967	5.1
269.08359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95865	0.9
85.75989	0.5
93.03466	5.9
95.05027	0.7
105.03495	0.8
108.02183	2.9
109.02963	100.0
110.03314	1.4
117.03490	2.3
121.02968	7.2
130.04272	0.9
131.05081	0.6
133.02919	1.2
135.04526	1.1
143.74350	0.5
145.02971	7.9
146.03775	2.5
158.03748	2.6
159.04515	3.9
161.02434	0.7
163.88078	0.5
165.07057	0.9
169.06581	1.1
174.03227	1.1
181.06425	0.6
183.04546	0.6
183.08192	2.1
193.06625	4.6
195.04521	0.6
195.08223	1.0
196.05299	1.9
197.06105	3.2
205.06538	0.5
206.07436	0.7
209.06015	3.8
210.06854	2.6
211.07657	9.6
220.05276	1.8
221.06093	9.2
222.06888	7.2
223.07622	3.1
224.04808	2.2
225.05641	1.1
237.05519	2.7
238.06335	4.7
239.07150	23.6
240.07483	1.2
248.04901	0.7
249.05597	6.7
250.06360	17.9
251.06612	0.7
265.05081	2.6
266.05899	7.4
267.06641	95.5
268.06937	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	267.1029
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
54.54413	0.6
59.44684	0.6
69.82137	1.9
84.37437	0.6
109.02960	2.0
116.97325	0.6
121.02975	1.8
122.48529	0.6
142.02524	0.5
193.10182	0.7
204.66701	0.6
209.04637	1.1
221.09621	0.6
222.06992	0.9
223.07634	7.7
223.11263	0.6
224.08313	1.1
237.09221	1.4
238.06407	2.1
239.10812	14.5
240.11066	0.8
248.08342	1.0
249.09244	1.8
250.06291	0.9
251.07127	5.5
256.07404	0.8
265.08612	1.4
266.09509	100.0
267.10263	91.3
268.10629	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1029
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.81853	2.4
51.73098	2.6
55.01869	4.3
57.01652	2.7
59.01382	3.8
67.32260	2.7
70.85806	4.0
74.87473	2.7
109.02949	4.3
121.02962	3.5
123.14574	2.6
133.03799	2.6
179.08662	8.6
193.10278	9.5
195.11745	9.0
207.08174	52.0
208.08797	3.7
209.04538	2.9
211.07526	3.3
223.11298	77.4
224.11755	4.1
239.07216	5.2
239.10861	15.9
267.06772	13.2
267.10287	100.0
268.10623	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.2
59.49774	0.2
60.11169	0.2
67.13649	0.2
69.17615	1.4
81.74506	0.2
85.04141	0.2
109.02942	1.5
121.02963	0.5
139.39595	0.2
147.53146	0.3
164.01837	0.2
167.08662	0.5
179.08720	1.3
195.11819	11.1
196.12091	0.4
203.97943	0.2
206.03706	0.2
207.08192	2.3
211.07774	0.3
221.09732	0.4
223.11308	100.0
224.11636	5.9
239.07220	0.6
250.06439	0.5
266.05792	0.4
267.06665	2.5
267.10318	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	267.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25238	0.9
55.01872	4.3
57.03435	4.0
57.59369	1.0
58.00604	1.3
59.01383	100.0
60.01696	1.0
71.01388	74.1
71.38602	1.1
72.99288	1.6
73.02567	1.7
73.02952	20.4
75.00872	1.6
82.79526	1.2
83.01385	8.5
85.02959	27.5
87.00883	2.8
89.02453	37.6
95.01395	4.5
97.02938	1.7
99.00894	6.8
101.02451	61.8
102.02750	1.8
104.47742	1.1
105.01936	1.3
105.05577	10.2
113.02457	30.3
113.03248	1.6
119.03507	15.7
125.02451	1.1
129.01932	1.1
143.03502	3.8
145.41566	1.1
149.04558	1.7
159.03018	5.8
161.04582	31.4
162.04855	1.0
165.07613	1.1
179.05617	2.7
244.45912	0.9
261.70471	0.9
267.10895	26.7
270.11954	1.0
277.29602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1384
Annotation	Diethylstilbestrol
Peak:m/z	Relative Intensity
52.91537	0.8
61.98835	1.4
64.59743	0.9
91.69230	0.9
92.92799	4.7
96.96038	1.2
98.95593	1.7
102.72208	0.8
104.27453	0.9
109.02981	1.0
121.02976	3.8
161.45697	1.0
181.63818	0.9
209.04504	2.3
251.10797	12.1
252.11549	2.8
265.12332	5.9
267.13919	100.0
268.14246	6.6
285.11243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1392
Annotation	Diethylstilbestrol
Peak:m/z	Relative Intensity
54.39906	0.2
70.92685	0.3
176.40991	0.2
184.08975	0.3
207.06010	0.2
239.10843	0.3
251.10764	5.1
251.13196	0.4
252.11560	2.5
254.87309	0.2
265.12387	2.4
266.12836	2.0
267.13901	100.0
268.14252	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	268.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54935	5.1
59.01355	5.9
68.80495	4.8
72.99309	22.7
84.18385	4.9
84.64812	4.6
93.03471	15.5
105.01976	12.1
108.02158	7.8
109.02954	26.3
119.05028	7.4
121.02969	92.3
123.04526	8.5
124.77676	4.5
134.03760	13.0
135.03520	7.1
135.04532	100.0
136.04861	9.4
147.04527	18.4
152.01149	6.2
159.04558	8.8
171.90768	5.2
173.02490	8.3
179.03520	16.5
182.02260	5.8
186.95679	11.0
195.48166	4.4
197.04616	24.7
209.04431	11.8
225.11285	5.1
241.05017	5.0
251.07033	5.9
268.06915	10.8
269.04657	11.4
269.08148	80.6
269.21210	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	269.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97041	3.0
66.46038	3.5
69.25739	3.4
83.01408	5.0
89.20518	3.1
90.97152	4.3
98.02486	62.6
109.02956	100.0
111.99604	16.5
121.02962	11.1
126.01183	7.3
132.98233	3.4
133.02940	5.5
135.04561	7.0
147.04596	8.6
152.03604	4.7
159.04607	18.8
163.09590	3.0
167.00269	3.9
180.04221	3.2
186.95590	19.2
194.92871	3.4
197.04893	12.0
207.03397	8.0
223.02800	82.2
225.04335	75.6
251.07227	6.1
253.05078	4.6
254.06026	4.0
269.03244	88.3
269.08020	48.9
269.21259	19.8
269.24869	8.6
270.03561	5.5
270.08578	4.0
278.44711	3.7
284.30035	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	269.0822
Annotation	2',5'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
50.14900	0.3
51.44609	0.4
52.49307	0.3
55.95297	0.3
60.72653	0.4
69.06459	0.8
69.06879	2.1
72.99327	0.6
79.05536	0.4
81.03459	1.0
91.01923	0.8
93.03435	0.7
98.21898	0.9
108.02166	3.4
109.02963	100.0
110.03329	2.1
119.05042	0.9
121.02955	2.1
123.04528	2.5
129.03473	1.3
130.04279	0.5
131.05054	0.9
133.02948	1.9
134.03732	0.6
135.04547	7.9
136.04907	0.6
136.88826	0.4
145.02974	4.6
146.03780	2.3
147.04541	11.5
158.03752	0.8
159.04533	25.2
160.04922	0.8
161.04039	0.4
161.06087	1.5
173.82091	0.3
179.03516	0.7
197.06091	0.7
198.06892	1.0
199.07726	0.6
211.07657	0.6
222.06857	0.9
223.07547	0.6
225.05533	1.0
226.06302	1.0
237.05559	2.4
239.03568	0.5
240.04065	0.4
241.08093	0.4
250.06313	0.8
251.07161	2.2
252.07889	1.3
253.05042	1.8
254.05887	7.0
255.06183	0.4
267.06613	1.9
268.07346	0.5
269.04800	1.4
269.08200	40.9
269.21335	0.4
270.08469	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	269.0822
Annotation	2',5'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
52.20354	0.1
65.58862	0.2
71.46929	0.2
72.99297	0.1
81.03477	0.9
84.69532	0.1
91.01909	0.6
93.03461	0.4
95.01401	0.2
108.02190	3.1
109.02966	100.0
110.03307	1.7
115.05556	0.4
117.03448	0.2
119.05061	0.5
121.02960	1.4
123.04537	1.2
129.03505	0.5
130.04260	0.6
131.05045	1.6
133.02992	2.5
134.03802	0.8
135.04546	9.6
136.04868	0.2
145.02965	1.8
146.03773	1.6
147.04541	4.4
152.06648	0.1
158.03737	0.6
159.04535	23.0
160.05226	0.8
161.06091	0.3
171.04582	0.2
175.04172	0.2
180.05855	0.2
183.04596	0.2
185.06084	0.6
195.08221	0.3
196.05196	0.2
197.06142	0.7
198.06859	1.3
199.07594	1.4
205.06523	0.2
208.05380	0.4
209.06020	0.5
210.06810	0.2
211.04015	0.4
211.07623	0.6
212.04817	0.3
212.08147	0.2
213.05545	0.3
213.09290	0.5
221.06131	0.3
222.06860	0.6
223.07664	1.1
224.94106	0.2
225.05638	1.4
225.09164	0.2
226.06387	0.8
227.07095	0.5
233.06197	0.3
234.06720	0.2
236.04861	0.3
237.05592	2.9
239.03473	0.3
239.07047	0.7
241.05011	0.3
241.08684	0.5
249.05507	0.3
250.06401	0.8
251.07161	2.5
252.07927	1.0
253.05074	3.4
254.05862	8.2
255.06232	0.3
266.05945	0.5
267.06644	2.6
268.07401	0.9
269.08212	58.3
270.05664	0.2
270.08524	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	269.0822
Annotation	2',5'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
69.65331	0.2
81.03454	0.7
91.01887	0.4
107.05000	0.3
108.02187	3.0
109.02966	100.0
110.03304	1.6
115.05557	0.6
119.05037	0.4
121.02975	1.1
123.04526	1.5
127.81025	0.2
129.03426	0.5
130.04263	0.6
131.05049	2.0
132.02257	0.2
133.02974	3.5
134.03754	0.3
135.04541	5.8
135.39197	0.2
141.03520	0.2
145.02992	1.8
146.03746	0.8
147.04536	3.6
158.03737	0.7
159.04535	24.0
160.05170	0.8
161.02588	0.2
161.06105	0.6
172.05339	0.2
181.06784	0.2
185.06010	0.2
197.06116	0.7
198.06885	0.9
199.07637	0.9
207.08286	0.2
208.05437	0.2
209.06038	0.5
211.04042	0.3
211.07593	0.5
211.20335	0.2
213.09128	0.3
221.06126	0.2
222.06850	0.4
223.07732	1.1
225.05542	1.6
226.06358	0.9
227.07068	0.3
236.04756	0.3
237.05595	2.7
238.06343	0.3
239.07066	0.5
240.07834	0.3
241.05006	0.4
241.08629	0.6
250.06317	0.7
251.07162	2.4
252.07848	1.1
253.05154	1.5
254.05879	4.5
266.05893	0.6
267.06610	2.6
268.07202	0.9
269.08206	44.1
270.08499	1.7
276.48798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0819
Annotation	2',5'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
53.68381	0.2
65.03954	0.2
68.99790	0.1
72.99328	0.3
73.58022	0.1
81.03468	0.6
91.01900	0.6
93.03469	0.5
105.03473	0.2
108.02185	3.0
109.02965	100.0
110.03297	2.2
115.05552	0.5
117.03498	0.2
119.05015	0.9
120.46009	0.2
121.02962	1.3
122.03800	0.3
122.45947	0.1
123.04525	1.8
129.03490	1.0
130.04297	0.6
131.05055	1.6
133.02975	2.0
134.03741	0.4
135.04543	7.2
136.04848	0.3
145.02977	2.1
146.03764	1.8
147.04543	8.8
148.05324	0.8
158.03764	1.1
159.04533	26.0
160.05089	1.1
161.06094	4.0
175.50677	0.2
183.04556	0.2
184.05220	0.2
185.06105	0.5
194.07101	0.2
196.05310	0.2
197.04492	0.2
197.06122	0.7
198.06873	1.0
199.04224	0.2
199.07678	0.9
208.05267	0.2
209.06134	0.3
211.04118	0.3
211.07629	0.4
212.04778	0.2
213.05525	0.3
213.09183	0.2
221.06146	0.3
222.06886	0.4
223.07712	0.9
225.05534	0.9
226.06424	0.7
227.06921	0.3
233.06160	0.2
237.05594	2.4
238.06537	0.2
239.03413	0.2
239.07129	0.6
240.07864	0.2
241.05167	0.3
241.08611	0.5
249.05542	0.4
250.06400	0.6
251.07162	2.1
252.07925	1.1
253.05109	1.7
254.05846	4.9
255.06282	0.2
266.05826	0.6
267.06674	2.4
268.07269	1.1
269.08209	45.8
270.08597	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1186
Annotation	Neocryptotanshinone II
Peak:m/z	Relative Intensity
59.01404	0.5
63.42432	0.4
69.57576	1.5
69.57970	0.8
88.77383	0.5
92.92838	0.5
109.02980	0.8
152.01134	1.0
172.43179	0.4
182.22966	0.5
186.95601	1.5
208.10870	0.4
211.07593	1.0
219.22603	0.5
225.09225	10.9
226.10004	7.8
227.07088	0.5
239.07198	0.6
241.12349	54.1
242.12685	2.9
253.08656	3.5
254.09535	1.2
269.11847	100.0
269.21274	5.5
270.12186	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	270.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79625	2.9
61.00436	100.0
62.23777	3.0
69.00943	13.1
69.24451	16.5
81.03362	4.9
82.01289	5.0
82.01738	62.5
85.99982	14.9
96.02047	13.2
96.40635	3.0
103.02605	7.3
108.02186	6.5
109.02966	85.1
110.03300	50.9
121.02957	3.5
126.01156	5.6
136.42850	3.2
144.02876	9.9
146.27657	3.0
147.04504	6.6
148.04797	7.2
151.00687	10.1
154.00688	4.6
159.04485	13.0
160.04884	21.0
165.01025	4.4
166.01816	14.8
178.01826	3.8
181.01738	7.3
183.03371	4.1
205.02890	43.9
208.02783	20.6
213.01834	10.0
223.03903	18.3
242.04427	6.4
252.02968	24.3
255.06175	8.7
270.04074	40.3
270.08514	43.6
271.09561	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	271.1709
Annotation	beta-estradiol
Peak:m/z	Relative Intensity
61.23444	0.5
61.98837	0.7
66.48267	0.6
77.01939	0.6
117.21120	0.5
127.25552	0.5
129.41687	0.5
143.83965	0.6
194.04070	0.5
197.97084	0.6
199.07692	10.6
200.08206	1.5
210.19411	0.5
241.12431	1.3
255.13927	1.5
256.14722	1.4
271.17068	100.0
272.17432	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	271.2281
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01382	1.4
61.91552	0.9
69.49846	5.2
83.44558	1.0
96.10384	1.0
104.14333	1.0
116.92831	1.3
122.24984	1.1
166.58916	1.3
174.35274	0.9
176.05946	1.1
223.20723	4.8
225.22255	64.6
226.22643	3.2
253.21803	1.7
271.22812	100.0
272.23114	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63399	0.3
59.01385	12.7
71.01378	0.3
71.40745	0.3
72.00903	0.3
76.90727	0.2
117.00465	1.9
128.07204	2.5
129.04173	0.5
130.08752	100.0
131.09114	1.7
170.07951	0.2
172.01065	0.7
174.54393	0.3
174.99245	1.1
188.07765	0.3
205.26059	0.2
210.06270	0.5
212.07913	0.4
228.07274	3.0
230.08858	8.8
231.09106	0.5
242.03563	0.3
244.82103	0.3
272.09946	42.0
273.05148	0.2
273.10220	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	273.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	50.7
59.21853	1.0
65.11463	1.0
72.99302	2.7
84.99303	2.0
85.71307	1.2
87.00879	25.8
98.21896	3.0
103.00376	21.0
110.74483	1.3
112.98820	37.6
130.99870	4.6
141.09232	100.0
142.09541	1.6
145.42821	1.1
149.00955	1.7
171.04550	1.1
239.60327	1.3
273.09851	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	273.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	83.3
61.40947	1.8
63.03626	1.7
68.84393	1.6
69.27868	9.6
72.99310	12.5
82.88386	1.7
84.99290	4.3
87.00343	3.0
87.00879	61.4
96.96005	4.1
98.21868	3.8
103.00384	37.1
105.01900	1.9
107.35979	2.1
112.98824	67.2
112.99618	3.2
130.99864	7.8
141.09235	100.0
142.09563	3.3
149.00928	94.6
175.66309	2.0
234.40341	2.0
244.25488	2.1
273.09747	6.6
273.16916	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	273.15
Annotation	Nimbidiol
Peak:m/z	Relative Intensity
54.38757	0.1
57.86064	0.1
69.62263	0.4
82.00608	0.6
83.51969	0.1
106.92001	0.1
117.60702	0.1
120.02187	0.4
121.02966	1.2
178.02734	0.4
187.04041	0.5
188.04790	0.5
189.05560	0.4
201.05582	13.1
202.06235	0.9
215.07132	1.4
243.10295	1.9
257.11887	1.4
258.12610	3.1
264.86954	0.1
273.14981	100.0
274.12347	0.3
274.15323	5.9
284.06784	0.2
290.11615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.15
Annotation	Podocarpic acid
Peak:m/z	Relative Intensity
60.60311	2.6
66.53387	2.8
67.31699	2.7
71.42099	2.6
73.52534	2.8
104.95273	3.2
110.69749	3.3
116.92855	5.8
117.03481	80.6
118.04272	37.7
119.05032	5.3
121.02974	59.5
123.04547	16.6
123.05263	2.9
133.02962	14.8
134.03816	3.8
142.62540	2.8
145.02959	12.0
162.03258	46.2
193.07751	3.0
229.15921	25.2
254.78072	2.8
268.81940	2.9
273.14972	100.0
274.15363	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	273.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57885	3.9
57.05968	4.8
58.18382	3.5
67.83414	4.5
70.91380	4.3
90.77615	4.7
96.33097	4.5
114.22175	4.7
116.92867	8.9
117.03480	74.1
118.04270	35.0
119.05041	7.3
121.02964	49.4
123.04574	19.6
133.02962	14.6
134.03743	5.7
145.02953	14.8
157.10414	4.3
162.03233	40.7
166.04970	4.7
213.28273	4.6
224.77446	4.0
229.15985	29.8
273.14996	100.0
274.15326	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	273.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99578	0.5
57.03446	2.2
59.01385	27.6
71.01383	6.2
71.05022	3.2
73.02946	1.7
81.03490	0.6
83.05007	1.3
84.02176	1.3
85.02967	0.8
87.04547	0.6
90.15382	0.5
90.24483	0.5
97.02951	1.5
97.06632	0.6
99.04530	1.6
99.08170	6.9
101.06079	1.4
109.06609	0.6
111.08162	0.6
115.04021	57.6
116.04350	0.6
121.10247	0.8
127.07670	0.6
127.11310	5.2
128.54759	0.5
137.09752	3.7
137.91911	0.5
139.11304	25.0
155.07161	0.6
155.10809	4.5
157.12364	2.7
181.12376	1.0
191.14372	0.6
193.16022	1.9
237.15025	2.0
239.61183	0.6
255.16066	2.2
273.17093	100.0
274.17468	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	275.093
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
57.44725	0.5
58.14237	0.5
86.69534	0.5
103.01637	0.6
110.84189	0.5
111.24474	0.5
121.06585	1.2
134.98691	0.5
135.04515	1.0
149.06239	0.5
150.03191	1.3
160.08966	0.7
161.02495	0.7
161.06136	0.7
175.07751	0.8
175.11255	1.7
176.01201	0.7
176.08466	0.7
177.01869	0.7
178.02756	2.5
189.05548	0.8
191.10776	1.7
203.10748	3.7
204.07950	1.4
217.05060	1.6
219.10239	1.8
229.08670	0.9
231.10164	0.7
232.07442	5.8
247.09761	69.1
248.10080	2.7
272.85321	0.6
275.09271	100.0
276.09509	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	275.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15107	0.8
59.01384	44.6
69.67442	1.1
69.67787	3.5
72.99294	1.8
76.76215	0.9
78.75325	0.9
79.05604	0.8
84.98830	0.8
84.99328	2.7
87.00887	26.0
88.37112	0.8
96.96084	0.8
98.22659	1.5
103.00384	21.6
103.01060	1.1
112.98822	36.3
130.99879	2.4
143.10791	100.0
144.11131	3.3
145.06587	1.6
149.00928	2.4
149.29543	0.8
156.05792	0.9
157.06586	3.3
175.07690	2.7
203.07065	1.3
229.12401	2.5
231.10350	2.5
245.11836	3.0
257.11874	1.5
275.13092	33.6
275.16443	1.7
275.17349	2.0
276.13184	2.2
282.93735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0881
Annotation	N-Hydroxyannomontine
Peak:m/z	Relative Intensity
53.41366	0.8
55.15467	0.6
55.69319	0.6
61.61641	0.6
65.99793	0.7
66.03494	1.0
70.59211	0.7
71.41408	0.7
85.05409	0.8
108.04571	3.3
109.02976	3.0
119.05064	1.8
121.02914	0.8
125.02483	1.6
131.03682	0.8
131.05051	0.7
132.02217	0.8
133.02943	3.7
134.03758	0.9
135.04550	2.6
143.05008	0.9
144.04593	2.2
145.02995	1.6
145.06557	1.4
146.02463	2.0
147.04572	2.0
159.04562	4.9
160.04045	3.8
160.05208	0.9
161.02489	4.1
161.06108	1.4
162.03229	0.9
170.06094	0.9
172.07678	2.7
174.01962	2.5
174.03325	1.2
175.04030	1.5
177.01939	3.4
177.05673	1.3
179.03651	0.8
184.31764	1.1
187.04048	1.1
188.03510	1.6
188.07217	11.1
189.04271	1.9
189.05721	1.6
189.07892	1.0
192.04330	4.7
193.05060	2.4
198.05605	1.0
200.07196	2.1
202.01463	1.2
203.03494	5.6
204.03001	5.4
205.03690	1.7
206.02223	1.1
206.05948	0.9
210.53824	0.8
216.02974	1.2
216.06660	11.5
217.05148	2.0
217.07425	17.5
218.05879	7.3
218.07964	1.4
219.06599	2.4
220.06168	24.1
220.08342	1.3
221.06384	1.2
230.08214	3.7
233.03239	1.0
244.06169	26.5
244.08665	1.6
245.06857	1.9
246.07864	1.2
248.05240	2.4
248.09320	91.2
249.05693	1.6
249.09647	3.8
276.08807	100.0
277.05426	4.4
277.08859	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	276.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21906	13.4
71.44394	12.9
78.95959	16.8
107.36974	16.3
110.65722	13.4
118.94183	25.1
138.30147	17.2
151.18745	16.0
152.91763	81.4
156.24222	15.3
187.50114	17.4
194.92810	100.0
212.93837	22.1
262.48254	17.5
276.16241	16.5
276.84576	15.2
277.08527	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0356
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
59.01416	0.6
61.91808	0.4
62.42514	0.4
65.00345	2.3
68.99866	1.6
71.41065	0.4
72.08356	0.3
72.99315	11.9
82.44261	0.3
87.00903	2.2
87.07879	0.4
93.03503	0.8
98.47228	0.4
111.00957	0.8
112.98886	0.7
115.05576	0.5
117.03490	5.1
119.05043	24.5
120.05448	0.5
121.02991	2.6
123.04561	0.7
127.00438	0.5
129.03487	5.6
130.04201	0.3
130.99922	0.5
131.05089	1.4
133.02989	1.0
135.04526	2.9
143.05048	5.9
143.06094	0.5
145.02975	32.1
146.03369	0.8
147.04536	47.1
148.04922	1.6
159.04562	1.4
161.06117	6.2
163.04070	1.1
171.04553	2.6
175.04025	33.2
176.04379	1.8
187.04027	0.8
189.05617	1.6
203.03519	100.0
204.03865	3.8
205.05077	0.7
215.03510	18.7
215.10635	0.5
216.03789	0.8
221.06033	0.9
231.02992	0.8
233.04544	4.0
249.05515	1.2
259.02484	7.4
260.02820	0.6
273.86578	0.4
277.03485	57.9
278.03790	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	277.0357
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
59.01196	0.6
59.01471	0.9
59.02191	0.5
65.00433	2.4
68.99885	1.3
72.98969	1.6
72.99418	12.1
74.65062	0.5
87.00993	2.3
93.03553	0.6
94.88285	0.6
100.67372	0.7
112.98873	1.2
117.03448	4.7
119.04234	1.1
119.05034	22.1
120.05401	0.6
121.03058	2.3
123.04614	0.9
127.00455	0.7
129.03494	5.6
131.05077	0.9
133.02997	3.3
135.04562	5.1
138.26506	0.6
143.05051	6.9
145.02969	31.9
146.03340	0.7
147.04538	44.5
148.04970	2.4
161.02473	6.0
161.06099	5.6
163.04118	1.5
166.28783	0.7
171.04562	2.3
175.04021	32.3
176.04459	0.8
179.03539	2.3
189.05508	0.9
191.35783	0.6
203.03525	100.0
204.03856	4.3
205.05002	0.8
214.04587	0.6
215.03529	17.4
216.03836	1.0
220.05327	0.7
221.06102	1.3
233.04550	5.0
242.05904	1.1
249.05522	2.3
257.08206	1.1
259.02472	7.3
276.04193	0.9
277.03412	54.9
278.03632	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	277.0354
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
54.70070	0.4
59.01391	0.9
61.18348	0.4
65.00330	2.9
68.99823	1.9
70.54961	0.9
71.01419	0.4
72.99312	13.1
87.00900	2.2
93.03476	1.0
95.01366	0.4
98.86008	0.4
108.99332	0.5
111.00890	0.7
112.98840	1.0
115.05521	0.4
117.03471	5.6
119.05035	24.5
121.02994	3.5
121.82446	0.4
123.04551	0.6
127.00359	0.6
129.03488	6.0
130.04315	0.5
130.99867	0.7
131.05046	1.9
133.02986	1.5
134.03687	0.5
135.04530	2.7
140.93808	0.4
143.05034	6.4
145.02969	33.4
146.03365	0.7
147.04538	48.1
148.04886	1.5
159.04437	1.0
161.02455	0.5
161.06078	6.1
163.04077	1.1
171.04576	2.9
175.04019	37.0
176.04361	1.2
178.58261	0.4
187.04079	0.5
189.05560	1.1
199.19099	0.4
203.03516	100.0
204.03830	4.7
205.05016	0.7
215.03514	17.7
216.03844	0.5
231.02992	0.5
233.04507	4.6
259.02502	7.6
270.36890	0.4
277.03531	61.1
277.21616	0.4
278.03845	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	277.0357
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
50.72374	0.6
50.81056	0.6
55.62735	0.7
59.01380	1.2
65.00319	2.6
67.80357	0.8
68.99819	3.2
69.55347	1.1
69.55737	1.9
72.99320	14.4
80.75461	0.7
87.00872	3.4
93.03465	1.1
98.24617	0.9
105.24963	0.8
112.98801	1.2
117.03501	5.6
119.05047	25.0
119.10030	0.8
121.02937	3.6
129.03497	5.8
131.05064	1.2
133.03009	1.3
135.04590	1.0
143.05048	6.5
145.02977	32.8
145.99855	0.8
146.03526	1.0
147.04541	48.3
148.04865	1.9
152.91811	0.9
159.04530	1.4
159.73534	0.7
161.06093	5.5
163.04048	1.8
171.04500	2.5
175.04027	36.7
176.04337	1.9
189.05620	1.8
194.92882	1.3
195.67044	0.7
203.03529	100.0
204.03922	3.8
205.05060	1.4
212.87573	0.8
215.03526	16.6
233.04538	3.8
259.02515	7.4
277.03571	54.9
278.03894	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0511
Annotation	Pongaglabol
Peak:m/z	Relative Intensity
71.24245	0.6
78.95937	0.7
87.63633	0.6
89.21404	0.6
89.45068	0.6
94.02267	0.6
99.25452	0.5
102.32535	0.5
121.02955	0.7
134.89433	0.7
145.31013	0.6
152.91774	3.4
193.06592	2.7
194.92740	3.9
194.95525	1.0
204.05801	1.7
205.06566	1.2
221.06116	6.9
223.04068	0.8
226.08427	0.6
234.03229	3.0
248.04871	1.1
249.05586	11.5
250.85320	0.6
276.04291	1.7
277.05090	100.0
278.05469	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	277.0874
Annotation	CAY10503
Peak:m/z	Relative Intensity
50.10324	0.2
50.91683	0.2
54.42331	0.2
59.01380	1.8
78.95908	0.4
121.02974	0.6
152.91782	2.0
165.07074	0.4
193.10223	1.0
194.92776	2.7
205.10393	0.2
205.15967	0.6
221.09729	3.7
233.11835	0.3
233.15408	0.7
235.44177	0.2
248.08453	0.8
249.06651	0.5
249.09230	9.8
250.09540	0.6
262.06525	0.5
276.07877	3.1
277.08701	100.0
277.18130	4.1
277.21765	0.8
278.09015	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.1
59.56773	0.5
61.85893	0.5
70.64163	1.1
70.66470	0.5
73.26175	0.4
74.53568	0.4
118.75967	0.4
121.02964	1.3
126.49274	0.5
152.91756	0.8
165.07127	0.6
167.25066	0.5
172.42842	0.5
173.60684	0.5
193.10266	1.2
194.92834	1.0
205.16037	1.5
213.28175	0.5
221.09726	4.1
233.19144	0.7
248.08372	0.6
249.09267	11.0
250.09801	0.5
276.07990	3.5
277.08731	100.0
277.18106	13.0
278.09064	5.8
278.18552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1086
Annotation	Panal
Peak:m/z	Relative Intensity
52.70171	1.6
81.67009	1.7
83.01375	2.9
84.25816	1.9
84.54026	1.7
112.25880	2.0
113.80040	1.7
121.03007	2.8
123.04642	1.7
152.91718	1.8
165.09242	4.1
189.05663	2.1
191.07231	15.8
193.12321	5.2
194.92856	4.4
199.40218	1.8
201.05574	3.9
203.10823	4.9
205.08792	2.8
205.16003	2.6
206.09480	16.5
207.09920	2.3
215.07161	4.2
216.08000	4.3
219.06641	15.4
221.11861	16.7
231.10272	19.5
234.08998	40.4
243.06697	9.0
244.07480	11.2
249.11348	100.0
250.11639	5.0
259.09711	3.3
276.06473	2.9
277.05188	7.3
277.10858	93.2
278.11182	7.6
285.96188	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	277.123
Annotation	Pantetheine
Peak:m/z	Relative Intensity
52.53098	0.3
58.02977	4.2
59.01386	0.9
64.63659	0.4
69.89735	0.6
69.90095	0.8
70.02594	0.5
70.02987	14.3
71.05027	26.2
72.00909	1.2
72.05357	0.6
72.99312	1.3
87.05652	6.9
87.06166	0.7
99.04522	7.8
109.02964	1.5
115.05147	2.2
116.07204	3.7
119.05018	0.4
121.02983	0.8
123.04487	0.6
129.05597	1.6
130.03340	11.1
134.03700	0.8
135.04539	11.3
136.04886	1.1
146.08250	100.0
147.05997	5.5
147.08548	2.1
161.06070	0.5
179.03532	1.3
179.31174	0.3
189.09361	0.4
194.92766	0.5
194.95598	0.4
197.04489	1.6
199.07709	0.4
215.10759	1.8
217.11954	25.3
218.12231	1.1
223.07629	0.5
225.09308	1.4
233.08307	0.5
241.08713	1.4
243.10100	0.5
243.13547	0.7
251.07088	0.4
269.08279	0.7
277.05121	1.2
277.12299	41.3
278.12637	1.4
287.09244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1663
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
54.05085	0.9
55.08648	0.8
59.01370	6.0
61.98827	1.3
69.87532	0.8
71.10661	0.9
71.11012	0.9
84.39030	1.1
121.03123	5.0
123.67630	0.9
147.08505	5.5
152.91739	1.4
164.99313	1.1
165.00482	12.1
166.00504	1.2
175.23083	1.1
189.03970	1.5
191.05634	12.7
194.92758	2.3
231.08821	1.1
233.10368	100.0
234.10536	5.6
276.96274	1.0
277.16534	85.7
277.21637	3.3
278.16797	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01382	4.5
61.98812	0.5
62.91290	0.2
64.17036	0.3
68.07394	0.3
69.06018	0.6
69.06414	1.4
71.01363	0.3
113.38594	0.3
116.92892	0.2
121.02969	0.7
127.07612	0.4
134.89488	0.4
152.91765	0.5
154.27661	0.3
164.26944	0.2
175.47328	0.2
194.92871	0.9
195.83119	0.3
205.16019	0.9
218.86571	0.3
233.22653	0.5
259.20700	0.6
275.20187	0.3
277.18295	6.4
277.21738	100.0
278.18784	0.3
278.22098	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.45895	0.6
55.78468	0.6
58.00573	0.7
59.01378	1.6
70.72214	1.1
71.01405	0.6
115.09090	0.7
214.34174	0.7
277.21759	100.0
278.22067	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22221	0.3
59.01113	0.5
59.01384	4.4
71.01383	0.6
71.42438	0.4
79.95704	0.3
89.00315	0.3
94.13857	0.2
97.95889	0.3
108.83976	0.3
121.02953	0.3
127.07664	0.4
133.02899	0.3
134.89494	0.5
175.07658	0.4
189.27576	0.3
191.11456	0.3
205.15921	0.6
233.22728	0.4
256.87457	0.3
259.20752	0.6
275.20230	0.4
277.18301	5.5
277.21738	100.0
278.22086	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	279.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20578	1.0
58.72132	1.0
59.01369	1.5
71.01393	17.6
72.26244	0.9
93.03465	1.5
98.22668	2.5
101.02434	0.9
115.00397	6.1
119.05038	65.8
120.05341	1.0
122.86764	0.8
124.06003	0.9
130.74677	0.8
135.04483	1.0
138.32436	0.9
163.04027	100.0
164.04404	2.1
176.09650	0.9
220.48430	0.9
279.23361	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	7.3
71.39941	6.3
78.37790	5.0
93.03465	15.7
111.00925	8.4
117.92577	5.9
121.02972	16.0
123.00919	6.4
123.04540	13.2
133.02963	8.8
134.03732	12.2
135.04558	100.0
136.04967	9.8
139.03999	16.4
147.04559	11.3
149.02452	41.1
150.03316	6.2
153.01952	19.0
163.03996	12.7
164.01187	53.7
179.03519	12.6
190.81641	5.9
191.10681	6.6
196.03816	12.3
211.06128	15.5
243.08791	11.4
279.08789	7.9
279.23306	23.4
291.06549	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	279.1028
Annotation	Danshenxinkun B
Peak:m/z	Relative Intensity
50.49978	0.3
51.87076	0.2
55.01888	0.3
55.83094	0.2
76.61133	0.2
76.79269	0.3
96.96007	1.1
113.24878	0.3
195.11841	0.5
196.05315	0.5
207.08032	0.3
209.06068	0.3
223.07704	0.3
223.11296	2.8
224.04826	0.3
224.11505	0.3
235.07671	0.7
236.04781	0.5
249.05789	0.3
249.09117	0.4
250.06403	0.5
251.07167	2.6
251.10774	4.4
260.08536	0.4
261.09222	0.9
263.07144	4.2
264.07855	1.1
276.08179	0.3
277.08710	4.6
278.09320	3.3
279.10263	100.0
280.07562	0.3
280.10587	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1031
Annotation	Galanganal
Peak:m/z	Relative Intensity
61.98829	2.8
63.61612	0.8
70.56085	1.2
96.96021	3.2
99.98596	0.8
107.62075	0.9
116.92941	1.3
136.89151	1.2
142.56111	0.9
162.91173	1.4
165.07112	1.9
178.85944	1.1
184.41994	0.8
191.07336	1.0
218.86729	1.9
220.86900	1.1
235.07672	3.3
236.08426	5.9
251.10800	66.9
252.11096	4.5
263.07285	1.1
264.07901	5.9
279.10297	100.0
279.16510	2.8
279.23367	2.3
280.10699	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	279.1031
Annotation	Galanganal
Peak:m/z	Relative Intensity
56.03058	0.3
57.91674	0.3
61.14357	0.3
61.98852	0.3
71.17735	0.4
87.67084	0.3
107.43462	0.3
107.89912	0.4
134.89445	0.9
136.89217	0.5
141.54977	0.3
144.22455	0.4
162.91269	0.4
165.07091	0.4
177.81201	0.4
178.36993	0.3
196.20976	0.3
197.90196	0.4
207.08154	0.5
207.11708	0.4
209.06084	0.6
220.87189	0.4
222.06889	6.5
223.07550	0.9
235.07631	1.8
236.08391	7.7
237.08937	0.7
243.79036	0.5
249.05592	1.2
250.06372	2.8
250.09816	0.4
251.07141	1.9
251.10789	55.0
252.11186	3.3
254.05838	0.7
261.09134	0.5
262.09833	0.4
263.07138	3.2
263.10739	0.9
264.07895	12.3
265.08276	0.8
277.08643	0.4
278.09467	0.7
279.10269	100.0
280.10687	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	279.1089
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
57.03463	1.1
58.00596	1.3
58.19764	0.8
59.01387	100.0
71.01391	48.0
71.01794	1.8
71.43114	1.0
72.01727	0.9
72.99306	1.0
73.02951	1.4
83.01382	1.5
85.02960	7.3
87.00889	1.4
89.02455	64.1
95.01405	2.9
99.04527	15.0
99.66813	0.8
101.02451	23.8
113.02464	20.4
117.05621	2.3
119.03513	29.4
121.02982	1.6
131.03558	2.3
139.04050	1.7
143.03523	3.0
149.02496	2.4
149.04596	1.5
160.91762	0.8
161.04588	3.3
171.09740	0.8
172.38841	0.9
179.05630	5.5
279.01907	0.7
279.05246	1.0
279.10864	6.3
279.23407	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1089
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
50.57322	0.5
51.39123	0.5
53.18311	0.4
55.80133	0.4
59.01385	51.4
59.23429	0.4
61.98839	0.8
69.03448	0.7
69.73941	1.0
71.01390	11.0
71.05022	0.5
72.99317	2.2
73.02953	6.0
83.01395	1.3
84.05545	0.5
84.33144	0.4
85.02940	2.2
89.02454	10.0
93.03477	0.5
93.39198	0.4
98.11888	0.4
99.04537	1.8
101.02455	7.0
101.33244	0.5
104.56585	0.4
113.02465	6.4
114.02763	0.6
117.00180	0.4
117.05592	100.0
118.05928	1.4
119.03516	5.3
121.02982	1.1
131.03499	0.7
132.84744	0.4
134.97098	3.5
136.96780	13.1
137.94533	0.7
137.96936	0.6
139.04010	0.9
142.87572	0.5
149.02457	1.4
151.03998	0.6
159.06575	0.6
161.04561	0.6
163.02522	1.0
175.02567	0.7
176.98120	1.3
178.97816	3.7
189.07802	0.5
205.03642	0.7
207.28012	0.4
217.03517	0.6
219.01442	1.4
236.96933	0.6
250.39496	0.4
278.98074	7.0
279.03595	0.8
279.10870	14.5
279.23325	1.6
279.98120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2332
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
67.14848	0.6
70.84592	0.8
71.06797	0.6
75.38508	0.6
221.11278	0.6
261.22238	1.1
279.23322	100.0
280.23590	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	280.0829
Annotation	4-Hydroxyphenylacetylglutamic acid
Peak:m/z	Relative Intensity
52.03864	1.4
58.99588	2.0
59.01376	7.1
59.85095	1.4
62.07600	1.6
63.96182	1.7
71.00060	1.6
71.01376	3.2
72.04570	7.8
74.58337	1.5
74.99106	2.9
82.02994	66.9
93.03478	3.2
95.05042	4.5
98.02487	20.9
99.67017	1.6
100.04063	20.8
107.05042	4.6
108.02201	1.4
113.02421	2.1
114.64697	2.0
119.05024	2.0
122.02520	2.4
122.03737	7.1
123.04542	100.0
124.04868	1.6
133.02939	2.1
135.04544	56.1
152.07199	12.5
161.02513	4.7
163.03960	3.0
177.05583	2.9
179.03416	5.0
208.09702	3.3
218.08182	3.4
221.04576	3.1
234.07747	7.9
236.09308	100.0
237.09656	5.6
244.02455	6.9
280.08276	67.1
280.10867	3.6
280.23599	2.2
281.04166	3.4
281.08737	2.1
281.11353	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14001	0.6
59.01388	17.9
70.41254	1.3
70.41586	0.6
71.01382	4.7
73.02959	1.4
75.00890	0.6
82.02985	1.1
87.00886	1.2
89.02436	1.9
91.38964	0.6
93.03440	0.7
101.02432	2.2
105.03524	0.6
107.04993	0.8
108.02169	0.6
109.02947	2.5
113.02460	0.6
117.01949	2.5
119.05048	11.5
121.02963	0.9
123.04532	0.8
132.02151	1.4
133.02974	30.7
134.03770	13.9
135.04546	81.9
136.04881	2.1
137.02475	5.5
147.04547	1.3
148.05333	5.7
149.02586	0.6
149.06102	29.6
150.06436	1.3
159.04512	0.9
161.02464	100.0
162.02803	4.0
163.04027	26.8
164.04378	1.0
175.04005	1.0
177.05592	53.7
178.02713	3.2
178.05917	1.5
179.03519	92.4
180.03865	2.9
189.05560	1.2
203.03557	1.6
207.06645	1.4
221.04575	80.9
222.04913	4.1
230.99176	0.7
253.05112	1.0
259.57123	0.7
281.06720	35.2
282.07089	1.8
292.35431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.9
65.47137	0.3
69.44263	1.5
71.01389	5.2
72.99328	0.6
73.02953	0.5
83.01421	0.3
89.02445	1.8
93.03437	0.5
95.03558	0.3
101.02445	1.3
105.03479	0.5
106.04247	0.7
106.74924	0.3
107.05005	0.8
108.02230	0.5
109.02963	3.5
111.00930	0.4
112.89832	0.3
117.03494	0.7
119.03577	0.3
119.05047	0.8
121.02995	0.9
123.04535	0.6
132.02179	1.2
133.02974	38.7
134.03770	15.0
135.04544	83.1
136.04901	2.2
137.02464	4.4
139.04041	1.1
147.04572	1.1
148.05322	6.6
148.06462	0.7
149.06097	29.7
150.03156	0.5
150.06458	1.3
158.60770	0.3
159.04524	0.5
159.53143	0.3
161.02464	100.0
162.02820	3.2
163.04045	1.4
174.82521	0.3
175.03998	0.8
177.05594	47.3
178.02692	2.6
178.05984	1.7
179.03519	82.4
180.03883	2.5
189.05597	0.8
194.71873	0.3
200.61169	0.3
203.03532	1.4
207.06696	0.9
219.08650	0.6
221.04578	67.4
222.04909	2.7
251.07782	0.4
280.84149	0.4
281.06699	27.8
282.07220	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0823
Annotation	Eutypoid B
Peak:m/z	Relative Intensity
59.66664	0.6
67.01897	17.0
71.01369	0.7
71.41866	1.0
80.18387	0.6
85.02946	2.3
97.45795	0.6
132.85008	0.6
157.06593	1.4
161.02437	0.7
165.07117	23.5
166.07407	1.1
173.06059	3.9
190.07684	0.7
191.08685	48.2
192.09027	1.7
193.10274	1.2
193.12321	1.3
194.07401	1.1
195.08159	4.6
206.66541	0.7
209.06102	1.9
209.09685	3.2
219.08145	9.7
219.13948	0.8
222.06926	1.3
225.05505	3.6
229.97638	0.7
237.09224	100.0
238.09608	5.9
253.04907	0.7
266.05902	1.1
271.10806	0.7
281.01526	0.7
281.04459	3.7
281.08142	4.5
281.10980	0.8
281.14020	2.7
281.24838	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	281.0825
Annotation	Matteuorien
Peak:m/z	Relative Intensity
59.01372	1.2
61.98946	0.7
62.68281	0.5
63.33576	0.5
71.41367	0.8
73.96344	0.5
82.80581	0.6
85.64350	0.6
86.71152	0.5
96.96018	0.9
102.80392	0.6
172.05356	3.1
175.03957	0.9
184.05304	1.6
196.05318	17.0
197.05853	1.3
199.04001	7.7
200.04735	0.9
210.06892	7.8
211.07657	0.9
221.06084	0.7
224.04808	1.5
225.05597	2.5
225.09315	2.7
235.07550	0.6
237.05634	1.0
237.09297	1.3
238.06424	4.2
239.06995	0.7
242.05894	1.3
253.05118	0.9
253.08672	2.2
254.05933	1.3
263.07083	5.2
263.10168	0.6
265.05197	3.2
266.05869	62.5
267.06216	3.9
280.07352	1.0
281.08221	100.0
281.24728	0.7
282.08582	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	281.0823
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin
Peak:m/z	Relative Intensity
59.01355	0.9
61.98837	1.0
70.94891	1.2
83.01422	0.7
86.54938	0.5
91.05550	0.7
119.05067	0.8
133.06612	2.9
135.04553	1.3
136.89259	0.7
137.02451	1.1
140.74812	0.5
147.04512	1.1
162.91209	0.9
163.04042	2.7
164.04807	32.0
165.05365	1.1
165.07118	1.8
167.08754	0.7
197.06065	0.7
207.08232	1.1
207.11768	1.1
209.06093	2.3
211.07655	5.3
217.87135	0.6
220.86919	0.7
222.06863	2.3
222.86786	0.7
223.07593	0.8
225.09361	0.6
235.07654	2.6
236.08382	1.9
237.05667	2.7
237.09290	0.6
238.06345	3.2
239.07086	0.9
251.07072	2.2
251.10793	14.9
252.07935	1.1
253.08713	27.2
254.09026	2.2
263.10803	6.5
264.11356	0.8
265.05090	0.9
265.12650	1.0
279.06656	5.2
280.07428	56.9
281.08209	100.0
281.11829	68.0
282.08582	6.4
282.12393	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	281.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.3
59.01386	49.8
71.01389	29.5
72.99309	2.3
73.02972	5.6
74.00010	2.0
78.95934	1.8
83.01400	7.4
85.02972	9.2
87.00900	2.8
88.85471	1.7
89.02447	16.3
95.01418	1.9
98.99374	2.0
99.00906	3.4
101.02451	49.8
102.02775	1.7
102.94409	2.2
109.02986	3.5
113.02449	9.2
114.57021	1.9
115.02540	4.5
117.01984	1.9
119.03527	6.3
119.05065	6.2
130.39148	1.7
133.02974	6.5
134.03737	2.4
135.04527	15.0
137.02466	2.4
138.98056	4.3
139.02484	3.4
141.00473	13.4
149.06062	4.6
150.04182	2.2
155.02094	2.2
157.03583	35.5
161.02489	13.5
161.04533	11.8
163.04022	7.8
164.95973	1.9
165.02275	1.6
173.03084	2.6
177.05588	7.7
179.03593	10.7
182.97020	100.0
183.01489	82.7
183.03113	4.5
183.97507	2.5
184.00075	13.5
184.01167	19.3
202.02551	1.9
221.04594	7.9
221.06650	2.3
281.12231	2.4
281.24966	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	281.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24904	1.1
55.01875	4.9
57.03456	9.1
59.01385	27.3
63.22688	1.0
69.03467	2.3
69.53336	2.8
69.53733	2.2
71.01390	100.0
72.01719	1.4
72.99358	2.7
73.02570	1.6
73.02956	22.2
81.03489	1.1
83.01389	9.9
84.02168	1.8
85.02960	63.0
87.00879	2.3
89.02462	9.0
95.01400	18.7
96.28715	1.0
97.02958	1.6
99.00907	8.0
101.02453	18.5
107.05048	1.2
109.06570	1.2
109.34021	1.1
113.02466	76.7
114.02845	1.6
119.05042	63.1
120.05331	1.6
121.02943	1.5
123.49886	1.1
133.93471	1.3
135.04518	1.9
137.06090	6.8
161.04582	5.3
175.11375	2.1
193.08693	1.9
193.12411	1.8
197.06165	1.4
208.05238	1.4
209.06078	4.6
219.10379	2.4
225.05556	4.2
229.30656	1.2
235.04085	1.6
237.05627	1.7
237.11374	3.2
253.05157	6.4
258.49597	1.2
281.04504	12.2
281.07355	2.0
281.10345	20.8
281.13632	2.1
281.24741	2.1
282.10788	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1188
Annotation	CHEBI:69248
Peak:m/z	Relative Intensity
50.31306	0.3
69.75114	1.0
80.91818	0.3
83.48805	0.3
98.22601	0.5
121.79755	0.3
131.80368	0.3
140.97247	0.4
194.07391	1.5
207.11784	4.5
220.74274	0.4
222.06879	11.3
223.07191	0.6
223.11349	0.7
236.08444	11.2
237.08771	0.7
250.09818	1.3
251.10793	74.1
252.11113	4.4
253.08786	0.3
262.09988	1.1
263.10785	34.0
264.11124	6.5
279.10291	1.2
281.11838	100.0
282.12192	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	281.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69937	1.0
58.88155	0.8
63.16065	0.9
69.11749	6.1
86.68808	1.0
91.77955	1.0
94.93627	1.8
111.53661	0.8
117.41270	1.0
155.79144	0.9
194.07487	1.7
207.11826	3.2
222.06909	10.1
236.08369	11.4
251.10797	73.8
252.11166	4.4
263.10788	38.0
264.11090	2.6
281.11856	100.0
281.24820	2.8
282.12192	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	281.1188
Annotation	Randainol
Peak:m/z	Relative Intensity
55.01874	0.7
59.01365	0.4
68.20345	0.1
69.80832	0.3
69.81171	0.1
90.20135	0.1
96.91119	0.1
153.07120	0.1
169.10204	0.4
179.08624	0.1
193.10217	1.0
194.10544	0.1
207.08202	0.2
207.11877	0.1
209.06122	0.2
209.09743	0.3
209.13354	0.2
211.07661	0.5
211.09471	0.1
221.06062	0.2
221.09709	1.3
222.06891	0.8
223.07661	2.6
224.08066	0.2
225.09238	0.3
235.07576	0.2
236.08360	0.7
237.09229	20.7
238.09901	4.2
239.10306	0.2
240.11542	0.1
241.04961	0.3
250.06367	0.6
251.07149	4.3
251.10802	1.8
252.07544	0.2
252.11504	0.2
253.12376	5.5
254.12695	0.3
263.07303	0.1
263.10846	0.6
264.07925	2.1
265.08713	35.0
266.09390	8.5
267.09778	0.3
270.09039	1.0
279.10242	0.2
280.10980	0.5
281.11844	100.0
282.12183	5.9
298.08463	1.9
299.08810	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	281.1186
Annotation	Juncunone
Peak:m/z	Relative Intensity
64.97170	0.5
69.08404	0.4
69.81366	1.7
143.61952	0.4
165.07124	0.5
222.06900	1.1
237.09233	6.1
238.06342	1.6
251.10727	4.6
253.12349	12.2
254.12698	0.9
263.10822	2.8
265.08688	5.8
266.09351	1.9
267.13925	1.1
279.10156	0.7
280.11066	65.1
281.11847	100.0
282.12234	6.2
282.16220	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.38906	1.4
61.98837	2.3
70.16778	1.4
70.46445	2.9
71.01387	3.3
72.99294	3.9
73.02943	5.1
73.98963	1.4
76.54323	1.6
84.07197	1.4
87.00886	2.4
93.12584	1.5
101.02479	2.2
101.78775	1.3
105.39656	1.5
117.01940	1.4
117.05576	3.0
119.05065	7.4
121.02939	1.6
123.00852	1.6
133.02960	5.0
134.03734	1.7
135.04547	15.3
138.96457	1.9
149.06070	3.6
161.02477	12.0
161.04597	2.5
163.02797	2.3
163.04007	10.5
165.02284	4.4
175.04201	2.5
177.02127	3.3
177.05617	4.7
179.00279	4.3
179.03519	16.1
191.03616	1.6
206.99730	1.7
207.03369	3.2
219.03354	2.3
221.01427	3.4
221.04445	7.2
221.10291	1.7
262.98621	1.5
280.99774	4.2
281.03506	3.9
281.06726	3.0
281.24890	7.6
282.03723	2.5
299.04648	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
64.05787	1.8
71.05037	4.7
71.16746	1.9
73.02936	4.7
81.03445	2.5
87.00883	22.6
95.05013	2.0
98.54509	2.3
106.04258	2.1
107.05045	4.9
120.05791	3.9
121.38056	2.0
133.10194	2.0
135.04445	2.7
159.11786	6.6
161.09738	35.7
161.13419	7.6
172.09007	2.4
187.11296	73.9
188.11708	4.4
189.09209	10.8
205.12399	5.8
219.13889	19.1
249.11165	2.2
267.12225	3.2
281.04630	4.7
281.14041	7.1
281.25003	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	281.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
61.98823	1.8
69.44652	0.4
70.90070	0.8
116.92871	1.2
116.97288	0.9
146.96581	0.5
156.90933	0.6
180.85899	0.6
198.91743	0.6
217.87048	0.7
222.06956	0.8
236.08519	0.6
251.10741	5.5
263.10794	1.9
265.12329	3.6
266.13156	3.1
280.07162	0.6
280.78302	0.8
281.11963	6.8
281.15454	100.0
282.12558	0.8
282.15717	6.3
289.71878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1914
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
59.01384	1.0
61.98831	1.8
104.23035	0.7
114.12815	0.8
120.15450	0.8
132.97871	0.9
142.59613	0.9
190.73483	0.9
197.09738	8.0
198.10403	1.5
211.11337	1.2
212.12082	87.6
213.12460	5.3
215.10779	1.6
222.06798	1.3
226.09964	1.0
227.10799	7.9
236.08533	1.2
244.11069	4.3
251.10732	7.9
263.10904	4.3
267.14008	1.0
281.12033	12.4
281.19125	100.0
282.12427	1.2
282.16351	1.8
282.19455	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	283.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83627	0.4
59.01385	100.0
59.40413	0.5
60.01731	0.7
69.65182	1.2
69.65524	0.6
70.61240	0.5
95.82571	0.4
98.99445	0.5
108.63350	0.4
119.02390	0.4
141.00499	3.2
141.01520	0.7
141.99986	2.1
157.03586	6.7
159.01500	2.0
198.06511	0.5
201.02570	96.3
202.02730	5.8
283.01529	0.8
283.26389	0.7
284.01071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98835	28.1
70.79813	1.5
95.03970	1.0
99.98918	1.7
105.45936	1.1
110.00105	4.2
112.92313	7.0
117.00477	2.1
138.92073	2.6
138.94601	1.9
139.94234	14.2
140.91850	12.3
140.94344	5.8
141.00436	1.7
141.93967	2.6
141.99979	25.7
152.93645	1.1
154.93413	7.6
157.03566	5.8
159.01534	3.6
163.00363	7.5
165.99094	3.3
181.95280	5.8
182.95404	2.8
184.01060	8.6
184.05309	1.6
196.05322	1.9
201.02571	86.3
202.02744	4.8
223.04149	1.4
239.03484	3.0
240.04379	1.5
267.02838	1.3
267.10388	1.3
268.03793	50.8
269.04120	3.0
280.96585	1.1
282.95587	5.9
283.06155	17.8
283.26443	37.1
283.95245	2.2
284.01065	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	283.0827
Annotation	Helicid
Peak:m/z	Relative Intensity
57.03446	1.4
58.99622	0.6
59.01387	3.6
63.50590	0.6
71.40330	0.6
72.43514	0.6
72.99318	1.0
95.01355	0.8
95.48370	0.8
96.80003	0.7
96.96021	0.7
97.06622	0.6
102.98599	2.3
109.02953	1.7
110.00152	1.8
121.02970	100.0
122.03320	2.9
123.08154	0.8
135.04610	0.9
135.08235	0.7
137.02493	0.8
137.06104	0.9
138.03191	0.8
145.02983	1.6
147.04550	2.4
149.09735	1.1
151.11322	0.8
163.00406	3.2
165.99062	1.0
174.03195	1.5
177.09241	0.9
177.12730	0.9
195.10263	1.0
195.13928	0.7
196.05243	1.2
201.02519	1.1
209.06209	0.9
211.04099	0.7
211.07681	1.8
221.11963	1.1
224.04814	2.2
225.05569	0.7
237.05647	1.6
239.03557	1.9
239.07156	3.5
239.09288	1.2
239.12984	1.9
240.04247	1.2
255.06671	1.7
267.02994	0.9
268.03790	22.7
269.03928	0.8
283.06027	15.4
283.11990	5.1
283.15463	1.5
283.26428	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	283.0979
Annotation	(-)-Homopterocarpin
Peak:m/z	Relative Intensity
54.72267	0.7
59.01378	1.9
72.82619	0.7
75.32490	0.7
93.03479	0.9
95.01370	1.0
97.54045	0.8
108.02166	2.6
109.02970	14.0
110.00085	1.1
123.04540	2.2
132.02179	1.5
133.02997	1.1
134.03729	2.1
135.04539	7.5
145.02989	1.8
146.03754	15.7
147.04518	1.1
158.03777	1.5
159.04527	29.2
160.04852	1.4
163.00452	3.8
171.04543	0.9
196.05293	1.2
197.06032	1.6
211.04147	1.0
211.07631	3.3
212.04805	0.8
212.08481	1.1
222.07028	1.3
223.07623	2.3
224.04778	3.5
225.05501	5.2
234.97969	0.8
237.05498	1.1
238.06334	3.6
239.03433	1.1
239.07155	15.9
240.04359	0.8
240.07776	3.7
241.09818	1.0
249.05574	1.9
250.06306	8.1
251.07124	9.8
253.05058	7.8
255.11261	1.0
265.05042	4.0
266.05884	5.2
267.06647	93.2
268.03763	18.5
268.07309	30.5
269.03928	1.5
283.06271	7.6
283.09750	100.0
283.26392	9.9
284.10092	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	283.1344
Annotation	1,3-Di-O-[2',2'-di-(p-phenylene) isopropylidene] glycerol
Peak:m/z	Relative Intensity
52.90942	0.4
53.96175	0.4
59.01301	0.5
69.32710	1.7
70.69545	0.4
75.00861	0.4
94.65976	0.4
130.31387	0.4
163.00204	0.6
170.07249	0.5
196.08923	4.1
198.06792	0.7
209.13382	8.3
210.13640	0.7
223.07648	12.7
224.08443	8.8
225.09026	0.6
225.12894	5.7
227.10805	1.7
235.11267	1.2
236.08333	0.6
237.09233	11.3
238.09897	2.3
249.09230	2.6
250.09961	0.5
251.10818	11.3
252.11066	2.9
253.12364	73.8
254.12692	4.3
263.10867	1.1
264.11292	0.5
265.12354	22.9
266.12714	1.5
267.10352	0.4
267.13925	1.4
268.03891	1.2
281.11911	0.9
282.12228	3.7
283.13474	100.0
283.17056	16.4
283.20731	18.4
284.13824	5.4
284.17041	0.7
284.21133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1341
Annotation	1,3-Di-O-[2',2'-di-(p-phenylene) isopropylidene] glycerol
Peak:m/z	Relative Intensity
51.10315	0.5
51.79311	0.5
56.44608	0.5
66.00592	0.5
70.48991	1.0
76.98491	0.5
79.01300	0.5
79.57182	0.4
84.20179	0.5
101.74753	0.5
113.86502	0.5
115.58116	0.5
127.58844	0.5
196.08942	4.4
199.11394	0.4
209.13367	8.9
210.13687	0.5
224.08415	13.3
225.09125	1.4
225.12880	5.0
237.09215	1.6
238.10004	3.3
239.10339	0.5
247.95540	0.4
251.10880	0.5
252.11479	1.7
253.12347	79.0
254.12677	5.0
265.12332	27.8
266.12735	3.0
268.03717	0.5
281.11966	0.7
282.08105	0.5
283.13400	100.0
283.20480	13.7
284.13702	6.7
284.20862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
70.96559	0.8
80.34455	0.4
87.41668	0.5
97.40349	0.4
142.10965	0.4
161.98097	0.5
163.00385	0.5
170.32176	0.4
174.72649	0.4
181.84793	0.5
196.08925	2.7
200.94644	0.5
209.13399	5.9
223.07640	4.9
224.08444	7.4
225.08998	1.2
225.12807	3.9
226.12927	0.4
237.09229	4.6
238.09900	1.5
251.10829	3.7
252.11211	4.0
253.12354	56.9
254.12708	3.5
263.10867	1.2
264.11255	1.4
265.12344	17.9
266.12729	2.9
268.03885	2.9
281.11938	0.6
282.12186	5.6
283.13388	100.0
283.26190	2.4
284.13727	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	283.1703
Annotation	Salvirecognone
Peak:m/z	Relative Intensity
54.48350	0.2
69.61508	0.7
75.92354	0.2
97.08852	0.2
102.39204	0.2
122.01985	0.2
146.45810	0.2
152.85422	0.2
204.93207	0.2
226.10078	0.4
253.12346	2.2
267.13934	12.2
268.14590	4.3
269.15347	0.2
282.15921	0.4
283.17059	100.0
284.17422	5.2
285.11356	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	283.1708
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01380	0.5
60.76085	0.2
70.47758	0.4
88.09233	0.2
91.24482	0.2
92.92820	0.3
106.04282	0.6
107.05042	100.0
108.05365	2.5
121.02956	0.3
123.04514	0.4
147.08188	0.2
151.75273	0.2
159.10796	0.2
160.47632	0.2
163.00391	0.3
163.11307	99.2
164.11639	3.6
197.90424	0.2
200.94539	0.3
202.09386	0.2
253.12343	0.6
268.03860	2.0
268.14429	0.2
283.17056	85.3
283.26382	1.6
284.17401	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	283.2071
Annotation	Pisiferin
Peak:m/z	Relative Intensity
59.01384	0.2
59.08679	0.2
62.03728	0.1
62.30789	0.1
70.65939	0.3
75.99200	0.1
79.20103	0.2
99.55879	0.1
110.01118	0.1
163.00327	0.2
172.08974	0.2
199.11324	2.1
201.12851	0.5
211.11302	1.9
222.48993	0.2
225.12866	0.3
253.12265	0.7
253.38141	0.2
265.12250	0.2
267.11340	0.2
267.13879	1.0
267.17340	0.8
268.03842	1.3
268.14584	0.3
268.18069	0.2
283.17203	9.7
283.20663	100.0
284.17453	0.9
284.20987	7.4
285.11404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.1
60.01706	0.7
69.24754	0.5
69.66944	1.8
98.01006	1.4
99.98913	4.6
101.00971	0.7
110.91507	0.5
124.57607	0.5
132.36372	0.5
140.02066	1.5
141.00478	2.0
141.99974	100.0
143.00085	5.5
151.02565	1.0
158.03799	0.6
162.73698	0.5
174.98022	0.6
184.01025	32.7
185.01244	1.7
199.99059	0.9
201.02507	0.5
202.02724	6.0
203.02388	0.8
208.76274	0.5
242.00137	2.1
283.26373	2.3
284.01172	35.9
284.26797	0.6
285.01230	4.0
302.71838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.9
59.61195	3.6
62.02636	4.9
70.10701	9.2
71.01402	20.7
78.95917	71.6
87.00883	6.4
88.98843	4.7
96.96011	14.9
98.21960	5.6
99.05645	14.1
111.77885	4.0
136.94031	12.1
141.99976	52.2
151.81982	4.0
152.91786	6.6
176.96420	4.8
182.09366	20.4
184.00989	20.4
202.02873	5.0
212.10448	6.9
216.89841	8.3
224.95628	4.1
225.90260	23.0
226.40263	6.7
226.90283	14.2
247.87315	100.0
248.37282	56.1
248.87158	43.2
249.37030	10.5
256.88226	5.5
267.74124	4.2
269.04083	12.5
274.88785	16.3
283.26407	44.3
283.86737	6.0
284.01349	21.5
284.12576	32.4
284.26706	18.3
285.01022	4.3
302.88376	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	285.041
Annotation	Kaempferol
Peak:m/z	Relative Intensity
55.42682	0.4
63.02391	0.8
64.04122	0.5
65.00324	0.8
83.01380	1.2
93.03460	3.0
98.22687	1.3
107.01421	1.5
108.02180	1.0
109.02972	1.7
109.82988	0.5
117.03494	0.8
120.74904	0.4
121.03009	0.6
124.93519	0.5
135.00874	0.6
135.04596	0.5
143.05055	1.5
145.02959	0.7
151.00404	2.0
154.04289	0.7
157.03000	0.6
157.06584	0.7
159.04526	1.0
159.38379	0.4
161.02390	0.8
163.00359	0.9
164.01286	0.6
169.06587	1.1
171.04546	1.4
183.04504	0.6
184.05266	0.7
185.06104	2.8
187.04039	1.7
195.04610	0.7
211.03983	1.8
213.05573	1.6
215.03354	0.7
216.59450	0.5
223.41246	0.5
227.03474	0.5
228.93275	0.5
229.05066	1.4
239.03558	1.0
240.04294	0.6
244.84189	0.5
246.79115	0.6
255.02963	1.0
257.04550	1.2
270.04749	0.5
284.26648	1.1
285.04080	100.0
286.04431	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0618
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
50.56597	0.6
50.75429	0.5
59.01377	2.6
61.00419	0.6
64.61906	0.6
69.13957	3.3
78.95924	0.7
81.03492	0.9
86.49934	0.6
96.67265	0.5
96.96976	0.7
106.20458	0.6
108.02183	100.0
109.02991	17.1
109.64815	0.6
118.89316	0.7
121.02905	0.6
122.03686	0.7
132.98187	0.7
133.02957	1.0
135.00877	0.8
135.04521	1.0
145.20920	0.6
151.04015	1.3
152.01167	59.4
152.91635	0.6
153.01959	30.3
154.02290	0.6
163.03964	1.3
165.01959	1.3
174.99248	1.0
186.95627	2.9
193.19571	0.7
202.98779	1.8
270.04840	0.9
284.26791	2.1
285.06161	55.8
286.06467	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	285.0774
Annotation	(-)-Alpinone
Peak:m/z	Relative Intensity
59.01387	1.0
63.47024	0.3
65.00328	12.6
68.99798	0.4
71.65458	0.3
78.95932	0.5
83.05032	0.5
89.00339	3.6
91.01895	2.2
93.03470	18.4
94.00636	0.7
97.02963	9.2
108.02161	0.4
118.76427	0.3
119.05038	100.0
120.05360	2.7
121.02972	4.7
122.29900	0.3
136.01697	0.5
145.02960	1.2
149.99614	4.2
151.00424	0.5
164.01178	1.5
165.01945	53.6
166.02379	1.7
177.01974	0.6
178.08835	0.4
179.03514	1.0
183.02991	0.8
187.03918	0.4
191.03526	1.2
202.98727	0.4
217.00435	0.4
218.28969	0.4
233.23407	0.4
269.04462	1.0
285.07697	40.8
285.20636	1.8
286.08023	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	285.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13388	0.6
59.01384	3.7
63.62911	0.7
66.04116	0.6
71.45811	0.7
72.00914	7.6
74.02476	15.3
83.62572	0.6
89.18674	0.6
108.02177	1.8
109.02956	2.2
116.05078	45.1
117.05398	1.3
129.05835	1.5
130.06642	12.6
142.06642	11.3
152.01166	1.3
153.01913	1.2
157.07721	2.1
159.07997	1.0
159.09265	9.1
161.04843	1.2
172.00949	1.8
175.34683	0.9
186.05582	2.3
203.08279	100.0
204.08545	3.7
225.06470	58.1
226.06779	2.3
284.26862	2.6
285.03680	1.1
285.08276	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	285.1136
Annotation	Virolane
Peak:m/z	Relative Intensity
59.01372	1.4
65.12113	0.9
69.03448	8.2
69.67695	4.4
73.02946	2.0
74.38300	1.1
95.51158	1.1
98.22016	1.9
109.02937	1.9
116.95437	1.2
125.02409	1.0
141.07120	25.8
155.08714	1.4
167.08701	7.2
169.10237	27.6
170.10591	2.8
181.10228	1.1
183.08142	1.3
193.10265	5.4
195.08128	11.8
196.08614	1.5
199.07668	4.4
207.08156	2.1
209.09732	39.7
210.10129	2.4
211.11295	100.0
212.11588	4.9
225.09203	4.5
226.69072	1.0
239.10806	1.3
255.10272	4.6
257.11703	1.4
270.08899	2.5
285.04056	5.0
285.08023	2.6
285.11322	56.8
285.14658	5.3
285.17993	1.7
286.11661	4.3
295.79236	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1137
Annotation	Stemanthrene A
Peak:m/z	Relative Intensity
57.72817	0.7
57.80826	0.7
59.01383	1.2
60.86903	0.8
68.52555	0.6
69.03469	8.7
71.01372	0.8
71.41232	0.9
73.02938	2.4
80.01574	0.7
105.97439	0.6
137.02516	0.7
137.94978	0.6
141.07129	36.9
142.07469	1.3
148.35388	0.7
155.08667	2.4
167.08679	8.5
169.10248	35.0
170.10568	2.0
175.04370	0.7
179.08591	1.1
181.10289	1.4
183.08125	1.4
184.21587	0.6
185.06090	1.0
193.10252	8.9
195.08186	14.8
196.08655	1.4
197.09753	1.0
207.08170	2.4
209.09743	45.9
210.10216	2.9
211.11302	100.0
212.11609	7.3
225.09190	3.6
241.05174	0.7
241.16211	1.4
249.09282	1.5
255.10307	7.6
267.10339	0.9
285.04269	1.9
285.11356	78.5
286.11670	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	285.1864
Annotation	CHEBI:70567
Peak:m/z	Relative Intensity
59.17498	0.1
69.11953	0.3
69.12359	0.3
95.28681	0.1
103.40454	0.1
106.47794	0.1
109.32298	0.1
128.07715	0.1
142.47552	0.1
199.07819	0.1
200.08537	0.2
201.09229	5.8
202.09634	0.3
203.10788	0.4
207.58102	0.1
213.09236	0.1
214.10005	1.4
215.10745	0.3
216.11536	0.3
217.12244	0.1
227.10866	0.2
228.11127	0.3
229.12161	0.3
241.12268	0.1
253.12468	0.1
255.13890	0.6
256.14282	0.2
257.15338	0.1
268.14398	0.1
269.15540	0.8
270.16199	0.8
283.16818	0.5
284.17386	0.4
285.18625	100.0
286.18970	7.7
302.15286	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	285.1862
Annotation	Cannabidivarin
Peak:m/z	Relative Intensity
55.01889	1.1
59.01389	0.1
62.09859	0.1
69.19180	0.7
72.79670	0.1
74.41123	0.1
74.54971	0.1
75.01769	0.1
75.43970	0.1
86.80420	0.1
111.70365	0.1
171.08154	0.2
173.13379	0.2
185.09711	1.7
192.41020	0.1
202.35742	0.1
217.15874	0.3
225.16512	0.2
227.14529	0.2
241.16008	1.3
241.19614	0.7
242.16562	0.3
255.17455	0.3
257.19125	62.0
258.19449	4.5
285.18619	100.0
286.18967	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	285.1864
Annotation	Cannabidivarin
Peak:m/z	Relative Intensity
50.79988	0.3
55.01862	0.9
59.01366	0.3
63.70731	0.3
78.95911	2.5
79.57252	0.3
83.57732	0.3
86.57119	0.3
121.06567	0.3
142.82249	0.3
146.75272	0.2
174.51173	0.2
185.09750	1.7
195.11852	0.9
199.11267	0.7
213.12822	0.4
217.00111	0.3
217.16145	0.3
218.43137	0.3
229.16112	0.3
241.12315	0.9
241.16005	1.7
241.19675	0.8
243.28018	0.3
257.19135	58.7
258.19446	4.1
285.18628	100.0
286.18976	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	286.2392
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01387	0.7
61.98831	0.6
70.02990	0.8
74.06123	2.6
75.47500	0.3
91.65512	0.4
100.21658	0.3
101.91914	0.3
106.22609	0.4
118.05112	1.1
139.66327	0.3
156.49472	0.3
202.23833	0.3
240.23404	3.0
242.21272	1.9
268.22839	1.1
284.22421	0.5
286.23907	100.0
287.24286	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	287.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72118	0.8
56.96631	0.8
59.01383	47.1
61.98832	6.2
63.62293	0.8
68.60844	0.8
69.34840	4.5
101.00964	7.3
107.87862	0.8
115.02517	3.1
117.00455	99.9
118.00541	4.3
141.99974	3.2
143.00139	8.3
143.02010	4.0
143.99696	14.2
144.87395	1.6
144.97475	8.7
144.99947	100.0
145.99353	11.4
150.43150	0.9
159.01506	57.4
160.01607	2.4
162.78979	0.9
174.99500	2.2
185.01166	2.6
186.00842	3.8
186.98451	3.9
187.01009	32.9
188.00623	3.6
198.99541	2.8
201.02649	2.0
217.00542	7.5
241.00697	2.1
243.02069	6.3
244.02295	1.0
245.00154	4.1
259.01614	33.8
260.01733	3.0
268.99939	1.1
282.97833	0.9
287.01138	66.4
288.00989	11.6
303.74567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59517	0.6
59.01383	51.2
60.01716	0.8
61.98840	1.6
70.16256	0.7
70.64321	0.8
74.99373	1.1
75.80693	0.6
98.99369	0.9
100.98997	0.7
101.00962	6.2
102.73693	0.6
102.98899	1.2
106.11796	0.7
115.02524	4.8
117.00455	98.8
118.00558	3.2
125.00838	0.6
131.02013	2.4
141.00465	2.7
141.99989	2.5
143.00131	6.4
143.02014	2.9
143.99719	7.5
144.99948	100.0
145.99493	6.0
146.00314	1.1
155.02074	0.9
156.99982	0.9
159.01509	61.3
160.01625	2.7
168.01515	3.9
168.99963	2.0
174.99501	1.7
185.01189	1.8
186.00797	0.9
187.01004	32.5
188.00867	2.3
196.99458	1.3
198.99567	2.2
199.01187	1.0
201.02592	2.2
202.99005	1.2
210.02576	5.3
217.00528	8.6
227.00616	2.1
227.05272	1.8
241.00644	3.1
243.02139	3.2
245.00002	3.9
246.10393	0.9
255.00063	0.8
259.01608	33.9
260.01608	3.7
271.77985	0.8
272.85278	0.8
275.53647	0.8
287.01102	61.1
288.00974	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	287.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.75534	17.9
69.98685	34.9
69.98990	35.7
72.99316	34.7
85.57866	20.7
95.73405	18.8
125.02438	43.7
132.98201	75.9
135.04634	25.6
144.99879	26.2
146.99751	44.5
155.09097	22.6
174.99388	20.5
184.89415	20.6
243.07793	54.1
287.01202	36.1
288.09903	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1293
Annotation	Celaphanol A
Peak:m/z	Relative Intensity
53.49955	0.9
56.12045	0.8
59.01342	1.0
64.66132	1.0
69.03465	10.6
72.79415	0.9
73.02937	1.3
77.56362	1.0
81.03476	1.0
81.79821	0.9
82.83871	0.9
83.05025	3.7
125.02448	1.0
141.07135	5.4
144.93709	0.9
145.05112	1.1
157.10143	1.1
167.08627	2.0
169.08986	1.2
169.10167	6.4
193.10263	7.6
195.08171	2.6
195.11812	12.6
197.09735	28.6
198.10402	1.1
209.09702	1.3
211.11298	25.3
213.12869	64.9
214.13194	3.7
227.10800	2.5
257.11890	9.0
258.12152	1.0
267.28476	0.9
272.53659	1.3
287.12909	100.0
288.13345	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	287.1293
Annotation	Celaphanol A
Peak:m/z	Relative Intensity
52.65757	2.0
59.01372	3.9
69.03474	10.6
69.18440	6.4
69.18848	7.3
73.02956	2.8
89.37977	2.3
125.02398	2.6
136.82724	1.9
141.07091	7.3
143.94774	2.2
157.10287	2.6
169.10268	6.2
193.10228	6.7
195.11743	11.5
197.09721	31.5
209.09579	2.3
211.11320	36.7
212.77902	2.2
213.12852	100.0
214.13200	4.4
227.10811	4.1
237.86931	2.2
257.11835	5.4
284.39130	2.3
287.09521	3.7
287.12900	73.3
287.16098	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	287.1505
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
52.73279	0.6
55.01873	1.5
57.03448	9.0
59.01385	100.0
60.01710	0.7
65.18943	0.6
69.03456	0.6
69.18506	1.7
69.18929	2.3
71.01384	1.8
81.03475	1.2
83.01399	1.8
83.05038	4.4
83.97718	0.6
84.02179	2.9
85.02959	94.3
86.03320	0.9
87.00906	1.5
93.03439	1.0
97.06604	8.1
109.03006	0.7
109.06616	2.9
111.04536	6.3
114.03234	0.7
115.16265	0.6
121.25775	0.6
127.07642	1.0
135.04550	1.2
137.06091	1.3
139.96544	0.7
167.36569	0.6
199.57562	0.6
207.13940	1.0
212.20981	0.7
235.53564	0.7
263.42355	0.7
269.13943	2.2
287.15033	51.1
288.15506	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	287.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45208	0.9
55.01887	1.6
57.03460	8.7
59.01386	100.0
69.03440	0.8
70.54638	1.5
71.01401	1.6
81.03474	0.8
83.01412	2.3
83.05035	3.6
84.02186	2.6
85.02959	88.7
86.03286	1.0
87.00903	1.0
97.06593	7.3
107.04986	0.7
109.06591	1.7
111.04547	4.8
137.06122	1.1
145.60304	0.7
178.72319	0.7
207.13867	0.6
269.13922	2.2
287.15033	39.7
288.15250	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	287.2232
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.59095	0.3
57.03436	0.5
59.01384	0.5
67.33810	0.3
69.20034	0.7
69.20443	0.7
78.95963	0.4
99.08163	2.0
129.09166	0.6
135.04523	0.4
139.15462	0.3
141.12869	2.0
155.14447	0.6
193.61288	0.4
239.20181	0.3
241.21770	0.9
265.40057	0.3
267.19482	0.3
269.21249	3.2
285.20712	1.8
287.22305	100.0
288.19608	0.4
288.22662	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	288.077
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01385	7.6
69.19210	2.2
81.63278	0.3
82.06617	0.6
84.08222	0.4
85.18469	0.4
90.97158	1.4
117.00436	0.7
118.00574	0.4
119.04495	0.3
130.08755	100.0
131.09109	1.9
132.98228	2.2
141.98250	0.7
159.01445	0.6
160.97656	1.0
174.99239	1.0
187.98825	0.4
203.03383	0.3
244.05063	3.0
246.06624	2.9
268.56973	0.4
288.07690	56.2
289.07990	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	288.1608
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01381	0.3
61.98836	0.3
65.03954	0.3
69.13139	1.6
81.03461	2.6
88.98417	0.2
92.05068	1.2
93.03459	1.8
101.17371	0.2
106.55826	0.2
107.03799	0.6
108.02183	0.8
108.04570	6.1
109.02966	6.3
121.02968	0.5
134.02496	35.5
135.03300	10.5
136.04056	42.9
137.02451	1.4
137.04381	0.9
138.51555	0.2
148.04053	0.9
149.04816	1.8
176.03549	4.4
177.04282	1.0
190.05176	0.7
204.06773	0.4
260.16498	0.4
288.16074	100.0
289.16400	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	289.1449
Annotation	3-Polyprenyl-4,5-dihydroxybenzoate
Peak:m/z	Relative Intensity
50.72577	0.3
51.12418	0.3
52.70970	0.4
53.04321	0.3
56.00584	0.3
58.20397	0.3
59.01361	0.3
66.92431	0.4
93.03484	1.7
94.51034	0.3
106.04260	3.1
109.02985	0.7
111.00893	1.3
121.02956	5.1
132.02171	0.4
133.02971	26.8
134.03755	78.2
135.04587	7.7
137.02458	31.6
138.02774	0.7
138.52794	0.4
139.04030	12.0
139.05112	0.7
140.04353	0.4
149.02464	1.4
150.03241	3.0
159.04541	0.6
161.02461	6.0
165.01886	0.7
168.47371	0.4
174.06918	2.1
178.02731	28.1
179.03474	3.7
187.07631	0.7
245.15495	11.3
246.15822	0.8
289.14481	100.0
290.14804	7.1
291.86758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.166
Annotation	oscr#14
Peak:m/z	Relative Intensity
50.65950	0.6
51.02343	0.7
55.01894	2.2
56.51561	0.6
57.03452	10.8
59.01387	100.0
60.01720	0.7
65.34932	0.7
69.21326	2.5
69.21751	1.7
74.39998	0.7
79.34740	0.7
80.12371	0.8
83.01395	2.0
83.05048	3.9
84.02180	3.0
85.02959	90.1
86.03303	1.6
87.00875	0.8
99.08150	1.0
109.06577	2.3
111.04559	4.7
112.75408	0.7
120.00996	0.7
129.09198	1.5
227.16399	0.7
259.45059	0.7
271.15521	2.1
289.16599	54.3
290.16962	3.6
297.67822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01384	20.9
69.03458	1.3
69.92114	1.4
71.01382	4.6
71.05020	1.9
73.02959	1.3
75.70685	0.4
81.03461	0.5
83.05029	2.6
85.02962	0.5
85.06592	2.4
95.05033	1.3
97.02976	0.7
97.06554	0.5
99.04549	1.2
101.06074	1.3
101.77178	0.6
109.06602	1.5
111.08195	0.8
113.06090	1.4
113.86808	0.4
115.04021	42.6
115.07655	2.0
116.04388	0.6
123.08182	2.6
125.09754	3.3
129.09270	0.8
135.08144	1.2
137.09731	0.9
143.10770	0.6
153.09215	1.8
155.10799	5.1
169.08893	0.4
173.11835	2.6
197.11827	0.7
207.13811	0.7
209.15465	0.8
209.82182	0.4
235.13324	0.6
253.14352	0.8
271.15561	1.7
289.16586	100.0
290.16959	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	289.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37778	0.8
55.01886	10.4
57.03455	8.9
59.01079	2.0
59.01387	52.8
71.01391	100.0
71.05025	1.1
72.01743	1.1
72.99330	2.0
73.02955	36.0
75.00873	2.3
81.03458	1.3
81.55048	0.9
83.01398	15.3
83.05726	0.8
85.02960	53.0
86.00089	0.9
87.00883	4.0
89.02460	7.4
95.01398	8.4
97.02956	2.0
99.00904	14.2
101.02457	68.8
108.29365	1.0
109.02998	1.8
113.02464	40.9
125.02509	1.5
127.11320	4.2
129.01955	1.8
133.03004	1.1
143.03535	2.2
149.02441	2.0
159.03008	5.5
159.04257	0.9
160.67258	0.9
161.02531	4.8
161.04588	14.9
192.51801	0.9
194.74321	0.9
267.06622	1.2
269.08286	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	289.1813
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
57.03445	2.2
59.01364	5.0
61.98830	2.3
62.55013	1.1
65.03973	1.4
70.08244	1.3
71.39167	1.3
72.77708	1.3
83.05031	1.5
97.06608	3.7
119.08689	58.5
120.09003	2.1
123.08168	2.0
125.09762	13.8
134.83356	1.3
145.06641	1.9
163.11383	2.5
185.11911	8.2
191.14476	1.7
203.18161	1.2
211.13400	5.4
245.19139	8.3
245.21393	1.7
267.66562	1.3
271.17139	6.0
280.85428	1.5
289.18134	100.0
290.18500	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	291.0666
Annotation	3-benzoyl-6-phenyl-2H-pyran-2,4(3H)-dione
Peak:m/z	Relative Intensity
59.01387	0.7
69.09741	2.6
70.00471	0.4
72.06812	0.3
73.23507	0.3
77.01624	0.3
79.01922	0.4
97.18124	0.3
98.22607	0.9
121.02953	0.9
152.91666	0.3
156.13998	0.8
192.19725	0.4
204.05803	0.7
206.07416	0.3
207.08148	2.2
218.07382	0.5
219.04709	0.4
219.08131	0.7
220.05350	0.9
231.10245	0.5
231.73174	0.3
234.07024	0.5
235.07661	6.8
236.07932	0.7
237.05592	0.4
248.04811	2.1
249.05452	0.5
262.06369	1.8
263.07135	15.2
263.70370	0.3
264.07538	1.2
276.04260	2.5
290.05817	1.1
291.06653	100.0
291.19788	1.1
292.06998	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	291.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46892	0.4
54.91632	0.4
58.05235	0.4
59.01380	1.4
60.97491	0.6
61.81810	0.5
61.98844	0.6
69.36264	2.2
74.99091	1.5
98.22623	1.0
103.01537	0.5
113.16309	0.4
121.02956	1.3
134.99409	0.6
149.01001	2.3
161.06375	0.7
188.04256	0.5
192.98134	1.1
206.99706	0.9
209.01276	4.4
209.04472	1.1
217.07220	2.3
225.00708	0.6
247.02484	2.8
275.06155	0.6
289.07602	2.4
291.09131	100.0
291.19647	1.4
292.09305	9.4
292.19769	0.5
309.10248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
60.55347	0.1
60.97502	0.5
61.98839	0.2
69.13033	0.1
69.55177	0.5
74.99068	1.4
93.00134	0.6
115.00249	0.1
118.01824	0.1
121.02956	0.4
121.10287	0.2
125.09845	0.2
134.99408	0.2
136.97316	0.2
146.93346	0.1
148.99873	0.2
149.00989	2.4
161.06369	1.1
185.11850	0.1
192.98178	1.3
206.99683	0.7
207.94121	0.1
209.01308	4.8
209.04425	0.3
210.01408	0.3
217.07220	2.4
225.00830	0.6
235.02802	0.2
247.02560	0.8
261.04401	0.1
275.06024	0.6
289.07568	2.7
290.07773	0.2
291.09131	100.0
291.19623	2.0
292.09256	8.5
293.06836	0.2
309.10245	1.5
310.10205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.0
57.03449	3.6
57.24627	1.1
59.01384	100.0
62.26192	1.6
67.05534	4.6
69.53717	4.3
69.54068	2.2
70.07027	1.2
71.01386	64.2
73.02951	15.4
83.01398	8.9
85.02959	23.6
87.00896	1.9
88.43603	1.2
89.02454	39.9
95.01389	6.4
96.74329	1.2
99.00866	3.6
101.02450	51.5
109.39124	1.1
113.02450	25.2
119.03511	20.5
131.03503	1.8
140.64557	1.3
143.03551	2.7
159.02998	3.0
161.04539	12.8
179.05580	1.6
198.91119	1.1
247.11871	11.9
291.10849	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	291.1089
Annotation	Itoside L
Peak:m/z	Relative Intensity
51.05563	0.8
53.65371	0.8
55.01882	5.8
57.03444	3.4
58.53213	0.8
59.01385	100.0
67.05532	3.8
68.98754	0.9
71.01389	54.0
71.11700	1.1
72.99314	1.1
73.02952	11.7
83.01389	7.6
85.02956	20.8
86.00100	1.0
87.00880	2.5
87.65703	1.1
89.02454	39.1
95.01412	5.4
99.00897	3.5
100.01634	0.8
101.02452	51.2
102.02792	1.3
111.00880	1.0
111.04541	1.2
113.02464	23.8
119.03513	18.4
120.36681	1.0
131.03535	1.5
143.03535	2.9
149.04564	1.1
159.03026	1.5
161.04575	9.9
179.05582	1.6
221.61777	0.9
247.11865	11.1
291.10861	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	291.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	12.4
57.03455	7.6
59.01387	74.0
71.01391	83.1
72.99326	2.9
73.02951	42.0
75.00867	2.3
83.01402	23.4
85.02964	53.2
85.03477	2.6
86.00124	3.0
87.00911	2.8
89.02470	4.2
95.01402	5.7
98.21901	4.2
99.00897	14.3
101.02456	100.0
102.02815	2.0
111.00904	2.4
113.02473	34.8
121.02945	1.9
125.02446	2.8
127.11306	2.5
129.01945	2.3
129.12892	2.5
142.89854	1.5
143.03441	2.3
159.03018	5.5
161.04579	21.9
185.13170	1.5
226.01273	1.5
247.02486	6.3
291.04041	2.3
291.18069	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	291.1818
Annotation	1-Octyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.94928	0.9
55.01882	10.6
57.03454	6.2
59.01384	82.5
60.01719	1.2
68.39384	0.9
69.03446	1.6
69.61535	0.9
71.01388	74.7
72.01752	0.9
72.99300	3.8
73.02954	37.0
75.00884	1.4
77.98757	1.0
83.01392	22.3
84.02171	1.2
85.02956	43.4
86.00103	2.6
87.00876	3.8
89.02444	9.0
95.01393	5.1
97.02937	2.0
99.00888	14.9
101.02452	100.0
102.02787	1.6
111.00864	2.2
111.89076	0.8
113.02457	37.0
119.03500	1.2
125.02438	3.2
127.11287	2.3
129.01947	2.2
129.12865	1.5
143.03526	2.7
159.03020	8.0
161.04567	27.9
162.05029	1.3
199.13463	2.0
291.18121	24.8
292.18359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39698	0.6
59.01378	2.0
61.98830	1.0
70.34681	1.5
84.92430	0.7
87.88983	0.7
93.64970	0.7
121.02976	1.3
148.08983	0.8
150.10475	0.8
163.11330	0.8
165.12851	19.8
166.13124	1.0
175.11261	0.6
191.14363	0.9
209.04584	0.6
247.02560	1.4
247.16849	0.7
247.20711	9.5
273.18658	6.6
289.27328	0.8
291.19690	100.0
292.20071	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	291.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23880	0.7
55.16709	0.8
59.01384	1.4
69.06485	2.4
69.06911	2.8
69.43123	0.7
79.68998	0.8
98.21889	1.6
110.72683	0.8
114.64527	0.7
115.33134	0.7
121.02987	1.5
148.08969	1.2
163.11349	1.4
165.12863	19.7
165.14267	1.0
191.14482	1.4
209.04619	1.1
247.02553	0.9
247.20662	11.6
248.21037	0.8
273.18671	6.5
291.19705	100.0
292.19986	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77849	0.4
55.73063	0.4
57.03442	1.7
59.01408	0.5
70.54269	0.9
72.37891	0.4
74.52290	0.4
93.07104	1.9
95.05023	0.5
97.06625	2.2
121.10249	15.5
122.10598	0.7
123.08170	1.2
125.09737	7.1
141.12856	1.0
147.08199	0.9
159.33565	0.5
163.11330	0.5
185.11850	15.6
186.12152	0.6
197.11845	3.9
209.11862	2.1
211.13364	2.1
223.13370	1.1
247.13499	0.9
247.20636	1.3
248.93883	0.5
273.18634	2.0
289.18195	0.5
291.19696	100.0
292.20084	7.4
304.64169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.9
59.01390	1.5
61.98835	0.8
65.96830	0.6
67.85340	0.7
69.27027	3.7
71.93833	0.6
72.01662	0.7
78.46403	0.6
85.48290	0.7
93.07119	1.3
97.06589	2.1
111.08162	3.1
112.15604	0.6
115.98687	0.7
118.34827	0.7
121.02972	1.9
121.10249	11.7
122.10645	0.9
125.09743	7.0
141.12912	0.7
147.08122	1.1
160.46672	0.8
185.11858	13.6
195.13918	1.6
197.11803	3.5
202.24406	0.7
209.11829	1.5
211.13371	1.8
223.13416	0.9
247.02434	1.8
247.13245	0.8
247.20667	2.2
273.18579	1.6
291.09149	4.3
291.19681	100.0
292.20010	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0308
Annotation	Tricrozarin A
Peak:m/z	Relative Intensity
59.01454	2.1
68.99933	3.0
69.54106	0.7
70.37281	0.7
71.43858	1.0
72.99420	2.3
85.03030	1.0
87.01006	3.7
95.01524	1.6
96.99445	2.8
105.06576	0.7
107.05119	1.7
108.02248	0.9
109.02964	22.1
111.01004	2.0
112.98941	2.8
119.05093	1.9
121.03062	2.4
121.70827	0.7
125.80615	0.7
127.00436	1.6
129.02042	1.0
131.05092	1.0
131.68614	0.9
133.02965	8.1
134.03822	2.4
135.04546	31.1
136.04921	1.1
137.02457	7.2
137.33090	0.7
139.00401	17.7
145.02931	4.5
147.03488	0.8
147.04523	3.6
148.57967	0.7
150.10796	0.8
159.04526	5.3
161.02464	25.6
162.03119	0.8
163.04033	43.0
164.04422	1.3
173.02470	6.0
174.03366	0.9
175.04033	1.0
177.05637	3.4
179.03577	2.6
187.04057	4.1
189.02151	0.9
191.03535	27.4
192.03934	1.0
201.02017	1.2
203.03529	1.2
205.05170	1.3
219.03004	100.0
220.03296	3.9
221.04323	1.1
231.03004	13.1
237.05591	1.6
247.02318	1.1
265.05054	2.2
275.01923	5.6
293.02933	63.6
294.03183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0461
Annotation	Euplectin
Peak:m/z	Relative Intensity
59.01387	2.5
69.42230	3.7
69.42614	3.2
85.07822	1.5
89.28532	1.5
95.30193	1.5
96.18806	1.5
133.88554	2.1
135.04510	2.6
201.26762	1.7
208.05344	3.7
209.06024	3.8
219.04532	20.0
220.05196	2.7
221.06123	3.7
235.04071	7.2
236.04745	4.7
237.05573	24.2
247.04065	22.4
248.04813	17.9
249.05556	5.0
251.03584	2.5
263.03491	7.9
264.04276	30.9
265.05057	52.6
266.05563	2.7
275.03525	20.4
276.03992	3.4
291.03116	9.4
292.03656	2.4
293.04611	100.0
293.17648	2.5
294.04953	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.2
59.01387	2.7
59.94447	1.3
68.99819	2.1
85.02957	37.9
86.14486	1.5
100.87060	1.3
101.02452	32.6
101.85951	1.4
103.04046	2.1
109.02978	9.1
111.00877	1.6
112.98774	2.0
119.05038	62.7
120.05418	2.2
129.01962	100.0
130.02251	1.8
131.05072	1.3
133.02985	3.7
135.04547	12.3
135.12569	1.3
137.02460	1.8
139.00389	6.7
145.02940	3.9
147.03015	25.2
159.04518	2.8
161.02438	7.6
163.04030	99.1
164.04338	4.4
173.02444	2.7
177.05573	1.7
191.03494	10.7
197.37794	1.4
209.05949	2.1
219.02963	34.9
220.03299	1.8
220.05209	1.7
221.06139	1.9
231.02988	5.1
237.05675	4.9
247.04102	2.3
249.05634	2.8
265.05078	8.4
275.01923	1.7
291.26779	1.3
293.04355	29.9
294.05139	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	293.0825
Annotation	9-O-Methylneodunol
Peak:m/z	Relative Intensity
51.28886	0.5
57.03463	2.9
59.01377	1.4
59.22379	0.4
61.98841	2.2
70.33612	0.7
71.01375	1.6
75.18067	0.4
79.95763	0.5
88.74023	0.4
96.96029	2.4
113.09013	0.7
113.09750	10.6
121.02990	0.5
121.10245	0.5
124.08599	0.4
136.08936	1.2
139.11284	0.8
165.07146	0.4
167.10762	1.5
177.09229	1.0
177.12915	0.7
179.10815	1.1
185.11775	0.5
192.11562	1.7
193.06633	0.5
193.15968	3.1
195.13898	1.4
196.91370	0.5
205.12386	1.0
220.14705	8.5
221.06105	2.3
221.15480	16.7
222.06795	3.4
235.07697	1.6
236.08362	0.6
236.10551	10.2
237.09236	26.2
238.09561	2.1
247.07648	0.8
249.05608	0.8
249.18579	1.1
249.22264	1.2
250.06364	2.7
251.07236	0.6
263.07092	5.2
264.07932	28.8
265.08688	18.3
266.09286	2.4
275.20166	1.0
276.08014	0.6
277.05072	5.0
278.05838	10.8
279.06323	1.0
291.06702	2.6
292.07440	14.7
293.08246	100.0
293.17853	5.9
293.21219	53.2
294.08667	10.0
294.21597	1.8
305.92191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16735	0.8
56.59676	0.6
57.27308	0.7
61.98831	1.5
65.01547	0.7
65.55775	0.6
70.41933	1.1
73.93417	0.6
82.65593	0.6
93.79298	0.7
115.70048	0.7
155.21785	0.6
167.05095	0.8
191.40739	0.7
196.05379	0.8
203.21211	0.7
206.07436	3.8
221.06210	3.8
221.09756	5.2
222.06900	10.4
222.09015	1.0
223.07175	0.8
224.04823	0.8
236.10512	0.8
237.05482	0.9
237.09225	1.5
249.05568	2.2
250.06381	33.2
251.06772	2.2
265.08710	40.4
266.09079	2.5
275.07144	0.8
278.05902	1.4
293.08240	100.0
294.08618	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0883
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.26970	3.9
54.23107	3.9
59.01384	70.9
61.52659	3.5
63.13856	4.1
68.99857	5.6
69.03481	7.0
70.45435	7.7
71.01392	42.1
72.99315	8.0
73.02953	92.2
73.03367	5.6
75.00878	18.6
78.95914	34.6
81.03474	7.1
83.01402	9.3
85.02956	46.7
87.00886	15.5
87.04510	5.2
89.02440	20.2
97.02941	10.6
98.21931	5.4
99.00900	19.4
101.02445	45.3
103.03996	31.5
109.02942	7.7
110.93410	4.6
111.00894	24.0
113.02487	19.5
115.04030	31.0
119.03526	6.7
125.02454	5.7
129.01970	29.7
131.03510	12.9
133.05093	32.1
135.04550	9.4
137.02431	5.0
141.01997	5.5
149.02509	5.1
152.94623	5.3
153.00569	4.2
153.01947	7.8
159.03017	100.0
171.02965	5.5
176.21103	4.7
192.95837	5.1
194.93788	28.2
194.95596	23.9
195.01532	13.0
204.68970	3.8
219.03038	8.3
220.75421	3.9
226.98647	4.2
232.99622	4.4
245.06706	49.0
250.99142	5.9
274.88095	5.7
293.00113	4.9
293.08771	34.2
293.12485	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1034
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
50.58714	0.1
59.01363	0.2
64.53100	0.1
69.03453	1.3
71.01391	0.3
72.99315	100.0
73.99673	0.4
75.00879	0.2
81.03516	0.2
85.02958	0.3
87.00880	1.0
93.03472	0.7
95.05040	0.2
97.02968	0.1
97.06598	10.4
97.46531	0.1
98.06910	0.3
106.04248	0.2
108.02168	0.2
109.02952	0.8
109.06647	0.1
119.08653	0.1
121.02967	8.2
121.06596	0.2
122.03772	2.5
123.04541	6.9
124.04932	0.2
128.00771	0.2
130.04297	0.2
133.02966	1.1
134.03757	5.9
135.04597	0.9
135.08202	0.5
136.05283	0.2
137.01459	0.2
137.02448	1.9
139.04060	0.6
143.08644	0.3
145.06599	0.3
146.03749	1.5
147.04523	2.7
148.05296	1.0
149.06113	1.4
149.09763	0.3
150.03249	2.2
151.04045	1.7
156.05873	0.2
157.06606	0.3
158.03723	0.4
158.07379	0.3
159.04533	2.8
159.08167	1.9
160.05305	1.3
161.06111	1.8
161.09715	0.3
162.03259	0.2
162.06874	1.5
163.07681	2.4
165.09254	0.9
169.10194	0.3
171.08171	0.3
172.05318	3.8
173.06088	3.7
173.09778	0.5
174.03246	0.7
174.06892	1.2
175.04033	4.2
175.07654	5.3
176.04793	3.6
176.08267	0.3
177.05289	0.2
177.09195	0.3
178.01163	0.3
178.02730	6.4
179.03169	0.3
183.04523	0.5
183.08110	0.2
184.03787	0.2
184.05281	0.7
185.06105	1.0
185.09766	0.6
186.06898	1.3
187.04126	1.6
187.07658	28.5
188.04718	0.3
188.08002	1.2
189.05592	1.6
189.09175	0.5
190.06367	9.6
191.06906	0.5
191.10791	1.4
193.08725	0.2
195.08138	0.3
196.03772	0.2
197.06111	0.7
198.06807	0.8
199.07698	0.3
200.04846	1.1
201.05606	1.9
201.09218	6.3
202.06380	5.4
202.09677	0.3
203.07162	1.3
203.10812	2.5
204.07921	1.1
204.11041	0.2
205.07175	0.1
205.08701	5.7
211.07704	0.4
213.09225	7.1
214.09518	0.3
215.07147	2.9
216.07928	0.6
217.08658	0.3
219.10277	26.0
220.10597	1.3
221.11844	1.0
229.08745	0.3
231.10274	16.1
232.10680	0.8
247.09790	0.6
249.11322	1.7
257.08145	1.3
275.09271	6.3
276.09567	0.6
293.10333	22.1
294.10736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68886	0.8
55.01878	1.8
55.17529	0.7
57.03455	0.9
58.00599	1.2
58.04821	0.7
59.01385	58.8
60.17498	0.7
70.11762	1.5
71.01389	27.0
72.99309	1.7
73.02953	2.4
76.96279	0.6
80.28721	0.7
83.01408	2.6
85.02957	5.4
85.06600	4.1
87.00912	0.8
89.02448	25.5
95.01347	1.6
101.02450	20.3
113.02448	9.1
113.06107	6.4
119.03509	9.8
131.07153	14.5
139.70714	0.8
163.04008	0.9
194.92838	1.0
219.03046	1.1
293.12460	100.0
294.12756	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	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79716	1.7
59.01387	45.8
70.10234	4.3
71.01387	20.8
72.99276	1.9
73.02945	3.8
85.02948	6.4
85.06590	16.1
86.81333	1.6
89.02454	15.8
96.96011	2.3
98.21949	2.1
101.02467	13.3
113.02477	7.1
113.06092	3.4
119.03520	8.0
119.97335	1.9
127.07633	1.7
131.07156	61.0
132.07454	1.9
152.91730	2.0
164.01170	11.7
173.08267	2.4
196.03842	4.1
211.06194	3.0
293.04526	4.4
293.12427	100.0
294.12762	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15874	0.6
52.59359	0.8
55.01882	0.8
57.03454	1.4
58.00603	1.0
59.01385	53.1
60.01712	0.6
60.90991	0.6
62.80997	0.6
63.46448	0.6
69.98165	1.9
71.01386	24.0
72.99305	1.2
73.02958	1.2
83.01385	1.7
85.02961	5.0
85.06107	1.1
85.06598	16.0
87.00899	1.4
89.02456	21.8
95.01382	1.8
101.02449	16.0
109.02973	1.2
113.02460	9.4
113.06104	5.8
115.07674	2.6
119.03519	9.6
127.07699	1.2
128.03580	0.8
131.07159	66.8
132.07539	1.9
133.03006	0.8
135.04549	2.1
139.00409	1.0
143.03513	0.8
159.04544	0.8
161.02475	2.0
161.04611	0.8
161.10803	0.8
163.04044	2.8
172.10332	0.6
173.08199	2.2
179.05667	1.4
191.03535	2.4
219.03038	5.8
231.03099	1.2
293.03528	3.5
293.04135	3.5
293.12460	100.0
294.12866	4.3
298.86664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80572	0.8
69.27051	0.8
71.01384	7.9
84.40404	0.7
86.65839	0.9
117.07763	0.7
117.76691	0.7
136.45351	0.8
148.05322	1.1
164.08430	2.2
165.25075	1.0
177.09181	4.3
192.11577	6.9
205.12396	5.9
218.09500	2.6
220.14697	48.2
221.15472	100.0
222.15855	3.7
236.10550	61.5
237.10966	3.0
293.17685	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
61.54353	0.3
61.98830	0.8
70.49193	0.7
75.01265	0.3
81.03475	0.8
94.66897	0.4
105.24370	0.3
121.03027	0.4
121.10276	0.4
136.08899	0.8
137.52960	0.4
143.34221	0.3
165.12929	0.4
177.09143	0.5
179.14478	0.4
181.15894	0.6
181.55798	0.4
191.14435	0.9
192.11594	0.5
192.34787	0.4
193.16008	0.7
196.66618	0.4
220.14722	2.2
221.15517	5.0
225.14934	0.8
236.10577	2.9
237.15036	0.4
249.22255	1.4
275.20163	1.1
293.21252	100.0
294.21603	7.4
294.24838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01374	1.5
62.21834	0.5
70.54714	1.0
84.04416	0.6
95.05050	0.7
132.54817	0.7
142.41609	0.6
163.66409	0.6
169.44218	0.7
179.14429	1.3
180.32852	0.6
195.13921	16.3
196.14676	3.4
205.12297	1.2
223.13419	12.1
224.14151	1.9
231.21262	1.0
256.13138	5.1
265.21863	1.1
275.20218	10.4
276.20529	0.9
277.76990	0.7
293.21262	100.0
294.21597	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01384	2.9
69.27045	5.7
121.10249	47.8
122.10587	1.5
125.09740	2.3
140.21101	1.1
146.02576	1.3
171.10291	85.3
172.10635	3.9
177.16464	1.3
183.10271	3.8
183.13951	3.8
185.11790	3.9
197.11819	1.3
211.13455	1.3
221.15485	1.4
231.21104	5.7
235.16855	1.1
236.10406	1.1
259.64096	1.0
275.20184	100.0
276.20584	7.3
288.18579	1.0
293.21259	86.9
294.21646	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	3.6
69.29611	6.7
71.01363	2.6
76.72729	1.5
79.15829	1.6
96.96008	5.1
123.60857	1.4
125.09726	5.5
136.08955	3.0
185.11856	11.2
192.11543	6.1
193.15956	5.8
197.11862	2.7
205.12456	2.1
220.14699	12.7
221.15469	29.6
222.15892	2.7
236.10593	18.1
249.18507	2.2
293.17804	9.0
293.21234	100.0
294.21582	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80091	0.6
53.00597	0.6
57.03450	5.2
59.01373	2.6
63.61823	0.5
64.93804	0.5
66.44033	0.6
67.96361	0.5
70.43434	0.5
71.01388	2.1
85.06606	0.6
96.96025	3.6
97.06594	1.1
113.09734	18.9
120.54825	0.6
121.10220	3.5
136.08932	2.3
136.66708	0.6
139.11295	1.8
151.09911	0.7
167.10762	2.3
171.10289	7.8
177.09230	1.4
177.12898	0.7
179.10732	1.7
185.11836	0.8
192.11584	2.6
193.15953	4.1
195.13864	3.0
205.12315	1.2
220.14734	7.6
221.15460	20.0
222.15784	1.0
231.21277	0.7
236.10555	13.0
249.18646	1.3
249.22246	2.1
254.14751	0.6
275.20193	10.3
276.20575	0.7
293.21228	100.0
294.21561	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91045	0.3
57.03439	0.3
59.01401	0.4
61.98837	2.0
66.54735	0.3
69.82325	1.2
71.01407	0.3
75.24668	0.3
88.08519	0.3
92.62609	0.3
92.92822	1.2
93.03468	1.0
95.08672	0.5
96.96024	0.7
116.92818	0.4
119.94698	0.9
121.03004	0.5
123.08178	1.0
125.09747	4.0
136.09039	0.4
141.12918	0.7
167.10770	1.1
175.31731	0.3
177.12918	0.5
178.13722	0.5
180.11624	0.4
192.11639	0.7
193.15979	1.0
220.14697	1.8
221.15475	3.6
236.10577	2.5
237.05768	0.3
237.09061	0.4
249.22267	100.0
250.22592	7.2
265.08939	0.3
293.08435	1.6
293.18222	1.7
293.21252	40.8
294.21454	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
77.47234	0.3
82.17228	0.4
84.18767	0.3
95.05035	0.3
97.06586	1.0
97.50751	0.4
107.09350	0.4
114.16013	0.4
115.67455	0.4
123.08157	0.9
125.09718	4.5
125.50247	0.4
132.13562	0.4
133.26369	0.4
141.12878	1.2
149.09721	1.8
167.14478	0.6
185.11839	9.4
197.11862	3.1
219.12375	0.3
221.15373	0.7
233.20937	0.4
236.10722	0.5
238.46098	0.3
249.22295	0.9
252.66722	0.5
269.70151	0.4
275.20160	0.7
293.21252	100.0
294.21600	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64909	1.7
56.49062	1.8
59.01377	2.0
61.98820	8.3
71.01384	2.7
78.15084	1.9
85.64421	1.7
96.96008	6.5
98.22632	8.0
125.09755	2.8
136.08902	5.7
141.12834	3.0
177.09285	3.4
185.11827	7.2
192.11533	7.0
193.15948	9.2
197.11801	2.6
205.12335	4.3
220.14725	18.4
221.15491	41.1
222.15826	4.3
236.10541	25.3
243.51711	1.9
249.18530	2.8
293.17783	16.3
293.21201	100.0
294.21536	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.3
68.39273	1.0
71.01382	1.8
71.39082	1.0
72.44638	1.0
72.99318	27.7
78.95919	2.6
79.63397	0.9
81.16313	0.9
85.02982	1.0
89.02456	3.1
89.39089	0.8
96.96960	3.1
100.29756	0.8
101.02428	1.3
109.02939	0.9
119.05049	2.8
121.02934	4.2
123.04531	3.7
131.03482	0.9
132.98288	1.1
133.01509	1.4
135.04555	5.5
145.03038	0.9
149.00882	1.1
152.91763	1.2
163.04042	4.0
164.98772	1.5
172.49391	0.8
173.02444	1.5
179.00282	47.7
183.87808	0.9
191.00301	7.4
192.98239	1.9
193.98943	4.3
197.01352	9.0
205.98981	6.9
206.99791	10.4
209.98485	1.7
210.99199	5.0
221.01353	18.0
221.98477	5.0
222.99251	2.4
223.02916	11.5
224.97180	3.6
233.01414	5.1
234.99263	20.6
239.02548	2.2
241.03951	3.5
249.00838	13.5
250.01117	1.1
251.99544	1.8
253.00307	5.4
277.00394	6.1
279.99060	1.3
295.01395	100.0
296.01682	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	295.0611
Annotation	Haloquinone
Peak:m/z	Relative Intensity
58.88546	0.3
59.01376	0.3
62.44879	0.4
81.03459	0.6
92.16902	0.4
93.03468	1.0
97.02981	0.4
98.21846	0.6
108.02177	1.2
109.02961	29.3
117.03494	0.5
121.02969	1.4
133.02979	0.4
135.04518	0.5
145.02931	2.5
147.04518	0.8
149.02460	2.5
158.03755	0.9
159.04518	3.3
161.02441	1.5
173.02457	2.2
174.03249	1.4
175.04036	0.7
183.04485	0.6
185.02458	11.7
186.03220	2.1
193.06516	1.4
195.04390	0.4
195.08180	0.6
196.05276	0.8
197.06133	1.0
205.06554	0.4
205.12259	0.4
207.04483	0.4
207.13863	0.6
208.05298	1.2
209.06107	2.0
211.03992	0.8
211.07631	1.2
212.04695	0.5
213.05646	0.4
220.05367	1.2
221.06091	4.4
222.06798	1.1
223.03978	1.0
223.07663	1.6
224.04805	4.4
225.05583	3.7
231.04507	0.5
232.05309	0.6
233.06049	0.5
235.04022	0.7
236.04787	1.6
237.05550	1.6
238.06306	1.2
239.03526	0.7
239.07153	5.5
247.03905	0.3
248.04842	2.6
249.05585	9.1
250.06276	4.0
251.03517	5.2
251.07162	2.3
251.12878	0.9
252.04271	8.1
253.05005	1.5
259.03909	0.3
260.04706	0.9
263.03638	0.7
265.05038	2.5
266.05847	5.4
267.06635	13.7
268.06931	0.7
276.04346	2.2
276.06815	0.4
277.05045	12.9
278.05804	2.8
279.03043	6.4
280.03751	7.8
281.04028	0.6
293.04614	4.1
294.05267	2.0
295.06128	100.0
296.06461	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0611
Annotation	4-Acetylchrysophanol
Peak:m/z	Relative Intensity
52.64196	0.7
56.44330	0.6
59.01388	5.3
59.63186	0.6
70.40359	1.3
72.71117	0.7
73.02947	1.1
78.97324	0.7
79.28171	0.7
81.03475	1.6
86.02721	0.6
86.76891	0.7
87.00856	1.5
87.04566	0.7
93.03477	5.5
97.02979	1.1
97.06554	0.8
99.04536	1.6
103.00350	0.7
108.02193	2.3
109.02964	80.5
110.03304	2.0
112.98798	2.0
113.31808	0.7
117.03444	1.8
119.05041	19.2
120.05415	0.8
120.50522	0.6
121.02972	24.4
123.04494	0.9
130.04178	1.0
131.05127	1.1
132.02167	4.1
133.02986	4.2
133.05090	2.4
134.03766	3.6
135.04561	3.6
137.02496	0.7
141.03444	1.1
145.02969	8.2
147.04556	3.8
149.02481	3.3
149.06076	1.1
157.02959	2.3
158.03729	3.7
159.04527	10.5
160.00468	0.7
160.01689	8.4
161.02478	6.9
163.04027	28.0
164.04660	2.3
173.02466	29.9
174.03136	2.9
175.04004	9.9
176.04791	2.3
177.01921	1.0
179.07187	0.8
180.05806	1.3
183.71663	0.6
185.02451	34.5
186.03233	10.7
187.04053	0.8
189.12842	1.5
191.07205	3.7
193.01401	2.3
193.05028	3.4
193.06631	2.7
195.04489	0.7
195.08086	1.6
196.05167	0.8
204.05750	0.9
208.03751	3.0
208.05440	0.8
209.06119	2.4
211.04152	0.7
211.07677	2.0
220.05304	0.8
221.06126	4.1
222.06880	3.1
223.05879	4.8
223.07747	2.3
224.04825	2.2
225.05557	2.8
232.05133	1.1
233.06068	2.5
233.11929	0.8
235.06096	4.1
237.05540	2.1
239.07207	4.3
248.04759	2.6
249.05623	7.9
250.06296	6.1
251.07141	16.9
251.26048	0.6
252.04353	1.8
252.07378	1.0
253.05072	2.8
265.05087	1.5
266.05740	3.3
267.06631	9.0
276.04294	1.4
277.05087	9.9
278.05634	3.0
279.03180	1.0
280.03775	3.3
284.20496	0.6
293.04623	2.4
294.05234	1.9
295.06113	100.0
295.11786	4.9
296.06464	7.7
296.11838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0614
Annotation	Haloquinone
Peak:m/z	Relative Intensity
59.03187	0.2
68.99832	0.3
69.47150	1.2
83.68624	0.3
93.03467	0.5
97.28324	0.3
98.22749	0.4
108.02177	1.1
108.22556	0.2
109.02963	26.5
110.03304	0.5
115.05537	0.4
117.03480	0.3
119.05028	0.8
121.02935	1.0
133.02928	0.5
135.04497	0.3
137.02507	0.4
141.03455	0.3
145.02972	2.4
147.04526	0.6
149.02455	2.5
158.03737	0.6
159.04532	3.5
160.01587	0.3
161.02444	0.9
163.04012	1.5
173.02451	1.5
174.03270	1.2
175.04037	0.3
183.04486	0.4
185.02455	12.4
186.03212	1.6
193.06636	1.4
195.04570	0.4
195.08156	0.6
196.05446	0.4
197.06104	0.7
201.02150	0.3
205.06631	0.4
208.05244	1.4
209.06119	1.8
210.06784	0.5
211.04022	0.8
211.07643	1.0
220.05263	0.8
221.06093	3.5
222.06851	1.5
223.04068	1.1
223.07613	1.7
224.04796	3.2
225.05591	2.5
226.05719	0.3
232.05328	0.8
233.06021	0.8
235.03996	0.7
236.04762	1.4
237.05637	1.3
238.06340	0.9
239.03497	0.5
239.07132	3.8
247.04115	0.4
248.04735	1.5
249.05563	7.4
250.06320	4.2
251.03523	5.4
251.07141	2.5
252.04292	4.6
253.05028	0.9
260.04767	0.7
263.03470	0.3
264.91052	0.3
265.05087	2.1
266.05832	4.3
267.06644	12.9
268.07037	1.1
275.03683	0.3
276.04272	2.3
277.05081	10.6
278.05737	2.0
279.03015	4.0
280.03766	4.2
293.04553	4.4
294.05347	1.4
295.06134	100.0
296.06476	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	295.0611
Annotation	4-Acetylchrysophanol
Peak:m/z	Relative Intensity
52.83695	0.4
57.03457	1.1
59.01378	1.4
65.03951	0.4
69.03462	0.6
70.82170	0.4
71.01409	0.4
75.94556	0.3
81.03429	0.4
83.05038	0.8
85.02981	0.7
91.01876	0.4
93.03461	1.4
94.85217	0.4
95.05037	5.0
98.03689	0.5
98.21820	1.0
108.02185	2.0
109.02968	100.0
110.03284	2.5
111.04525	3.4
111.08180	0.8
113.06109	4.1
115.04037	0.7
115.05540	0.5
117.03513	0.5
119.05059	2.1
121.02953	2.3
121.06599	1.1
123.04553	0.5
123.08165	1.1
129.03465	0.5
131.05048	1.0
132.02161	0.9
133.02991	1.4
133.05112	0.4
133.06671	0.4
134.03798	1.6
135.04543	0.9
135.08209	0.4
137.02448	0.5
137.06099	0.8
137.09729	0.6
138.06847	0.5
139.07698	1.1
141.03465	0.8
145.02965	2.8
147.04536	3.5
149.02463	0.8
149.06146	0.8
149.09691	1.8
151.07690	0.4
151.31728	0.4
155.07124	0.5
157.02977	4.0
157.16342	0.4
158.03784	2.4
159.04539	11.5
160.01688	2.5
160.04803	0.4
161.02449	2.0
163.04028	2.9
163.11327	0.8
164.04819	0.6
165.09238	1.3
171.11772	1.0
173.02446	5.2
174.03201	1.1
175.04021	6.4
176.04771	1.0
185.02467	41.7
186.03220	11.3
187.03790	0.5
189.12880	14.0
190.02652	0.4
190.13217	0.5
191.07170	1.6
193.01514	0.8
193.05075	1.4
196.05301	0.7
197.06087	0.7
204.05884	0.4
207.13943	1.5
208.03722	0.6
211.07695	0.6
220.05396	0.4
221.06091	1.4
222.06850	1.2
223.06123	1.4
223.07814	1.2
224.04767	1.8
225.05632	2.1
232.05397	0.5
233.06094	0.6
233.11884	0.6
235.06172	2.0
237.05588	1.1
239.07172	2.7
248.04854	1.8
249.05597	3.2
250.06319	1.3
251.03674	0.8
251.07156	2.6
251.12927	15.4
252.04309	0.7
253.05064	2.4
265.05081	1.2
266.05835	1.3
267.06668	5.1
276.04330	1.4
277.05078	5.7
278.05701	1.4
279.03040	0.7
280.03748	2.3
293.04718	1.8
294.05331	1.6
295.06140	68.2
295.11301	9.6
296.06485	5.5
296.12259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.061
Annotation	Haloquinone
Peak:m/z	Relative Intensity
50.32465	0.3
53.31395	0.3
59.01377	0.4
68.99799	0.3
71.41853	0.3
73.02934	0.3
73.36104	0.3
74.10062	0.3
81.03459	0.3
87.63147	0.3
93.03467	0.9
108.02167	1.6
109.02960	49.7
109.47450	0.3
110.03313	0.7
115.05497	0.3
121.02956	1.8
129.03392	0.4
135.04587	0.5
141.03510	0.7
145.02982	2.8
147.04553	1.6
148.72130	0.3
149.02455	1.6
157.02937	2.5
158.03760	1.2
159.04520	5.4
161.02444	1.1
161.09792	0.3
173.02463	3.8
174.03279	1.5
175.04005	1.1
183.04585	0.5
183.08139	0.3
185.02448	34.2
186.03212	6.9
187.03902	0.6
189.12990	0.4
193.06543	1.5
195.04620	0.4
196.05370	1.0
197.06056	0.6
203.04874	0.4
207.13908	0.8
208.05316	1.2
209.06082	1.4
210.06775	0.5
211.03957	0.6
211.07669	1.1
212.04436	0.5
220.05263	0.9
221.06081	3.5
222.06898	1.1
223.03998	0.6
223.07634	0.8
224.04781	3.7
225.05576	3.3
232.05283	0.8
233.06027	0.8
235.03972	0.6
236.04774	0.8
237.05574	1.4
238.06337	0.9
239.07231	3.8
247.04097	0.7
248.04909	2.0
249.05589	8.1
250.06317	3.2
251.03470	3.6
251.07164	1.5
251.12883	1.4
252.04279	5.6
253.05040	1.9
260.04675	0.5
265.05072	3.1
266.05817	4.1
267.06631	10.7
268.06970	0.6
268.10715	0.3
276.04260	2.2
277.05057	11.0
278.05734	2.4
279.02975	3.8
280.03793	8.0
281.04184	0.4
293.04648	4.0
294.05331	2.3
295.06125	100.0
296.06461	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08920	0.7
57.03461	3.7
59.01384	27.8
69.03477	2.0
71.01376	4.0
72.99314	1.7
73.02953	1.7
81.03490	1.0
83.01427	0.7
83.05046	2.1
85.02985	1.6
87.00895	2.1
87.04536	0.8
89.02470	2.4
92.43751	0.7
93.03461	2.6
95.05044	12.3
97.02981	1.2
97.06561	0.9
101.02467	2.7
105.03468	1.5
107.37953	0.8
108.02188	3.1
109.02962	100.0
109.06579	1.2
109.43557	0.7
110.03297	2.7
111.00873	1.6
111.04546	7.6
111.08156	1.7
112.98828	0.8
113.02418	1.0
113.06097	10.5
115.04032	2.0
117.03456	1.6
119.04256	1.1
119.05045	14.1
121.02966	7.7
121.06618	2.7
122.03794	0.8
123.04555	1.6
123.08146	2.3
124.01636	2.2
131.05029	1.1
132.02185	18.8
133.02971	18.9
133.05057	2.7
133.06645	0.8
134.03758	44.3
135.04567	5.1
135.08156	1.5
136.01654	2.4
137.02399	1.7
137.06088	1.6
137.09705	1.9
138.06943	1.0
139.04004	2.4
139.07635	2.3
145.02994	4.6
146.03760	0.8
147.04536	16.6
148.05344	7.6
149.02470	2.3
149.06091	20.2
149.09763	4.5
150.06487	1.3
151.03967	1.1
157.02962	4.6
158.03682	3.2
159.04524	10.8
160.01672	78.5
160.08826	1.0
161.02440	5.9
162.03192	0.9
162.06778	1.0
163.02733	1.3
163.04024	19.6
163.07649	1.4
163.11183	1.9
164.04695	1.8
165.09166	2.7
171.11752	3.5
173.02457	8.9
173.09627	0.9
174.03197	4.1
175.04019	83.1
176.04793	35.1
177.01933	9.4
177.05267	1.7
178.02724	6.2
179.03484	1.9
179.07141	1.3
185.02444	46.8
186.03214	11.1
187.03976	1.2
189.12869	32.8
190.13171	1.6
191.07161	52.7
192.04222	1.6
192.07434	2.3
193.05067	41.3
194.05415	2.1
195.08206	1.0
202.02625	2.1
207.06578	3.6
207.13832	3.5
208.03711	2.8
211.07628	1.9
217.05060	3.9
220.03712	7.1
221.05978	2.5
221.08032	1.0
222.06783	1.5
223.05956	2.8
223.07793	1.8
224.04787	1.1
225.05435	2.4
233.11742	1.2
235.06133	71.6
236.03125	1.2
236.06331	2.2
238.06187	1.9
239.07166	5.2
247.06128	0.8
248.04730	2.0
249.05611	5.5
250.06192	2.4
251.03358	0.8
251.07413	3.6
251.12895	33.8
252.04271	1.1
252.13139	2.5
253.04918	2.2
265.04980	1.0
266.05658	2.0
267.06622	11.1
276.04208	1.1
277.04947	9.0
278.05493	2.3
279.02814	1.4
280.03586	2.4
280.06168	1.3
293.04382	2.7
294.05136	2.2
295.05884	81.1
295.11664	23.6
296.06082	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	295.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08920	0.7
57.03461	3.7
59.01384	27.8
69.03477	2.0
71.01376	4.0
72.99314	1.7
73.02953	1.7
81.03490	1.0
83.01427	0.7
83.05046	2.1
85.02985	1.6
87.00895	2.1
87.04536	0.8
89.02470	2.4
92.43751	0.7
93.03461	2.6
95.05044	12.3
97.02981	1.2
97.06561	0.9
101.02467	2.7
105.03468	1.5
107.37953	0.8
108.02188	3.1
109.02962	100.0
109.06579	1.2
109.43557	0.7
110.03297	2.7
111.00873	1.6
111.04546	7.6
111.08156	1.7
112.98828	0.8
113.02418	1.0
113.06097	10.5
115.04032	2.0
117.03456	1.6
119.04256	1.1
119.05045	14.1
121.02966	7.7
121.06618	2.7
122.03794	0.8
123.04555	1.6
123.08146	2.3
124.01636	2.2
131.05029	1.1
132.02185	18.8
133.02971	18.9
133.05057	2.7
133.06645	0.8
134.03758	44.3
135.04567	5.1
135.08156	1.5
136.01654	2.4
137.02399	1.7
137.06088	1.6
137.09705	1.9
138.06943	1.0
139.04004	2.4
139.07635	2.3
145.02994	4.6
146.03760	0.8
147.04536	16.6
148.05344	7.6
149.02470	2.3
149.06091	20.2
149.09763	4.5
150.06487	1.3
151.03967	1.1
157.02962	4.6
158.03682	3.2
159.04524	10.8
160.01672	78.5
160.08826	1.0
161.02440	5.9
162.03192	0.9
162.06778	1.0
163.02733	1.3
163.04024	19.6
163.07649	1.4
163.11183	1.9
164.04695	1.8
165.09166	2.7
171.11752	3.5
173.02457	8.9
173.09627	0.9
174.03197	4.1
175.04019	83.1
176.04793	35.1
177.01933	9.4
177.05267	1.7
178.02724	6.2
179.03484	1.9
179.07141	1.3
185.02444	46.8
186.03214	11.1
187.03976	1.2
189.12869	32.8
190.13171	1.6
191.07161	52.7
192.04222	1.6
192.07434	2.3
193.05067	41.3
194.05415	2.1
195.08206	1.0
202.02625	2.1
207.06578	3.6
207.13832	3.5
208.03711	2.8
211.07628	1.9
217.05060	3.9
220.03712	7.1
221.05978	2.5
221.08032	1.0
222.06783	1.5
223.05956	2.8
223.07793	1.8
224.04787	1.1
225.05435	2.4
233.11742	1.2
235.06133	71.6
236.03125	1.2
236.06331	2.2
238.06187	1.9
239.07166	5.2
247.06128	0.8
248.04730	2.0
249.05611	5.5
250.06192	2.4
251.03358	0.8
251.07413	3.6
251.12895	33.8
252.04271	1.1
252.13139	2.5
253.04918	2.2
265.04980	1.0
266.05658	2.0
267.06622	11.1
276.04208	1.1
277.04947	9.0
278.05493	2.3
279.02814	1.4
280.03586	2.4
280.06168	1.3
293.04382	2.7
294.05136	2.2
295.05884	81.1
295.11664	23.6
296.06082	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	295.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59703	0.8
53.49183	0.9
57.03442	1.2
59.01386	12.5
69.03476	1.9
69.44979	0.8
71.01385	5.2
82.90308	0.9
83.01389	0.9
85.02965	1.7
89.02430	1.4
93.03466	1.1
101.02459	5.4
109.02967	21.1
113.02499	1.2
119.05037	84.1
120.05357	2.1
121.02962	4.7
131.03520	44.2
132.02187	4.6
132.03835	1.1
133.02969	5.2
134.02519	3.0
134.03754	15.4
134.04710	1.0
135.04562	1.5
137.60030	0.8
145.02974	3.0
147.04546	5.2
148.05339	2.1
149.02637	0.9
149.04575	20.0
149.06078	5.1
150.17787	0.8
153.05550	2.3
158.03716	1.4
159.04533	4.2
160.01666	18.3
161.02377	3.2
163.04022	100.0
164.04391	2.9
165.00148	1.6
173.02461	4.1
174.03203	0.9
175.04013	18.4
176.01157	6.2
176.04773	8.8
177.01924	8.4
178.02669	3.8
185.02484	9.9
186.03188	2.6
191.07141	14.4
193.01398	1.0
193.05083	15.2
197.04625	3.1
208.99155	14.0
217.05020	1.6
220.03720	1.7
221.06284	1.0
233.08270	1.2
235.06125	14.6
236.06566	1.0
239.07101	1.0
249.05461	2.0
250.06450	1.2
251.07198	1.9
266.05759	0.9
267.06616	3.2
277.04947	2.2
282.11792	0.9
295.05875	23.4
295.11832	1.6
296.06281	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	295.0978
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
50.38954	0.4
56.30065	0.3
60.92198	0.3
64.25573	0.3
69.65606	0.8
109.02956	0.5
129.74039	0.3
165.90831	0.3
170.39609	0.4
179.08664	1.1
181.10173	0.5
196.12897	0.3
212.04698	0.3
218.12253	0.4
222.06851	0.8
223.07541	0.7
225.05609	1.5
235.07613	0.7
236.08453	46.1
237.08835	3.6
239.07115	1.1
251.07199	4.1
251.10884	2.2
252.07964	11.1
253.05009	0.5
253.08476	1.7
254.09418	1.0
262.06314	0.8
263.07114	3.7
265.08820	0.6
267.06494	0.6
268.07425	6.6
280.03625	0.5
295.09778	100.0
296.10123	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64162	0.4
69.61271	0.5
70.95917	0.9
85.39242	0.4
143.26099	0.4
153.50894	0.4
154.22964	0.4
154.24310	0.4
159.66298	0.5
165.07121	0.7
186.46799	0.5
193.10207	0.9
209.06104	3.0
221.09729	1.5
222.06882	8.4
223.07550	2.1
235.07698	2.5
236.08357	1.0
237.05823	2.5
237.09230	55.1
238.06381	12.4
238.09546	3.6
239.06824	0.8
248.08522	0.9
249.06662	0.8
249.09256	17.5
250.06381	1.4
250.09644	1.3
251.07242	0.9
252.07938	0.6
254.05869	0.9
254.70744	0.5
262.06488	0.9
264.07910	1.5
264.94693	0.5
265.08731	31.9
266.09314	4.8
267.10287	18.5
268.10651	1.1
277.08752	6.3
278.09296	0.6
295.09781	100.0
296.10159	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0979
Annotation	Calophyllin B
Peak:m/z	Relative Intensity
61.98841	0.7
94.92525	0.4
98.22655	1.2
111.71543	0.4
112.39292	0.4
119.32393	0.4
119.94704	0.5
180.99855	0.4
185.02498	0.4
209.06081	0.4
211.07605	0.6
223.07819	2.1
224.08441	6.4
225.08847	0.7
237.05711	0.4
237.09123	1.6
238.06322	1.0
238.09982	4.9
239.10786	37.3
240.11072	2.3
249.09233	1.6
251.07169	5.3
252.07924	9.5
253.08481	1.0
256.07394	1.8
265.08640	1.3
266.09491	13.0
267.10257	30.0
268.10507	2.3
272.05148	0.5
276.07840	0.7
277.08871	2.4
279.06564	1.0
280.07388	3.7
284.06912	4.4
294.09055	4.8
295.09769	100.0
296.10104	7.3
296.13474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81659	1.1
55.01856	1.1
57.03455	7.5
59.01384	27.9
64.06033	1.1
69.03442	2.3
71.01356	3.6
72.99320	1.1
73.02959	2.4
74.20684	1.2
77.50405	1.1
79.05477	1.2
83.05025	5.6
85.02925	3.4
87.00835	3.2
89.02415	2.1
89.05535	1.1
93.03422	3.0
94.04221	1.4
95.05042	21.2
96.02135	1.3
97.02953	2.3
98.03728	2.0
98.21892	3.7
99.78323	1.3
101.02427	2.6
105.03410	1.8
107.05032	1.2
107.59933	1.1
108.02137	3.8
109.02960	100.0
109.06561	1.8
110.03223	2.1
111.04531	15.2
111.08110	4.2
112.98797	2.8
113.05377	1.6
113.06096	21.0
115.03990	4.2
116.06917	1.2
119.05047	20.4
121.02969	9.2
121.06638	5.9
121.10210	1.1
122.03740	1.6
123.08154	5.5
123.46944	1.1
124.05302	1.8
132.02200	14.0
133.02972	19.7
133.06558	2.7
134.02725	2.3
134.03755	45.6
135.04584	6.3
136.01608	1.8
137.02422	2.7
137.06046	3.7
137.09653	3.8
138.06938	1.3
139.07594	5.0
145.02928	6.9
147.03506	1.6
147.04527	19.7
147.08139	1.6
148.05298	8.0
149.02449	2.3
149.05083	1.7
149.06104	19.0
149.09717	7.9
150.03233	2.6
151.04002	1.8
151.07626	3.2
155.07085	2.2
157.02876	3.3
158.03629	4.1
159.04517	14.4
160.01672	81.2
160.08817	1.2
161.02228	5.1
162.06898	1.3
163.04022	32.9
163.07591	2.0
163.11186	1.8
164.04588	3.4
165.09233	6.1
171.11790	5.7
173.02473	12.5
173.09694	1.5
174.03096	3.4
175.04012	72.6
176.04791	29.7
177.01904	8.4
177.05247	1.7
178.02721	6.0
179.03436	1.5
179.07045	1.2
185.02441	44.7
186.03226	12.3
189.12865	69.3
190.13100	4.1
191.07158	42.0
192.04262	2.1
192.07439	2.5
193.05075	32.7
194.05347	1.9
202.02676	1.5
207.06529	4.4
207.13866	7.5
208.03722	3.3
217.04904	3.8
220.03712	5.9
222.06755	2.7
223.05847	6.2
223.07860	2.4
224.04597	2.8
225.05531	2.7
225.75620	1.1
233.11691	2.5
235.06133	64.0
236.06401	4.0
237.05409	1.4
238.06265	2.0
239.07034	3.2
248.04817	1.2
249.05577	6.5
250.06259	3.3
251.07291	5.3
251.12907	70.1
252.13145	3.8
253.05002	2.9
265.04919	1.2
266.05621	2.0
267.06653	10.6
277.05045	10.6
278.05356	2.3
279.02835	1.4
280.03583	2.2
293.04517	2.7
294.05206	1.9
295.05923	89.0
295.11432	44.4
296.06223	5.7
296.12051	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	295.1343
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
58.95841	0.5
61.98829	1.8
92.92819	1.2
94.92519	1.8
108.81747	0.5
109.03007	0.7
149.96483	0.6
195.13994	1.0
206.82008	0.5
213.18599	0.6
236.85728	0.6
238.06444	2.0
239.06934	0.8
239.14467	0.5
251.10715	1.0
251.24036	0.6
261.13016	0.6
265.08798	1.9
277.16006	0.5
277.21774	1.9
279.10300	15.3
279.13409	1.1
280.10837	2.5
295.13477	100.0
295.17026	14.7
295.22736	22.1
296.13855	7.6
296.17340	1.3
296.23135	1.0
297.07666	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	295.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.16188	1.5
69.32854	3.7
69.33266	6.6
71.01387	3.4
99.39523	1.9
101.02442	2.3
101.20457	1.9
109.02962	19.5
112.98965	2.3
119.05014	18.7
121.02977	8.9
133.02922	2.5
135.04565	3.4
145.02979	9.0
159.04533	3.9
161.02458	2.5
163.04036	27.9
170.96605	2.1
173.02438	6.3
174.75023	1.9
175.04037	3.4
185.02466	7.4
186.03183	3.1
191.07033	2.2
193.62907	1.9
235.11850	3.9
239.07191	2.1
250.06503	2.7
251.07150	2.5
267.02963	2.2
277.05154	2.2
295.06027	23.6
295.22861	1.9
319.17627	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.92630	0.6
59.01390	1.2
59.20374	0.6
70.08933	0.9
70.09266	1.2
98.22697	0.9
102.13629	0.6
125.09744	2.1
171.10295	43.9
172.10655	1.2
226.52661	0.7
277.21768	53.9
278.22076	3.4
295.22812	100.0
296.23248	6.3
319.16876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.61725	0.3
57.03458	1.0
57.14840	0.4
59.01383	1.7
62.49072	0.4
67.76003	0.4
69.38947	0.4
69.42067	2.2
74.63387	0.4
78.25166	0.4
83.04995	0.4
85.50156	0.3
99.08138	0.5
102.44491	0.5
113.09078	0.4
113.09729	2.0
121.94527	0.4
153.41103	0.4
158.31827	0.4
171.10284	0.9
177.12910	0.5
179.14453	1.2
181.12369	0.7
195.13918	18.1
196.14265	1.0
213.24089	0.4
251.23767	0.5
277.21750	20.1
278.22113	1.5
295.22800	100.0
296.23114	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0409
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.79296	0.3
57.66282	0.3
59.01380	1.0
78.01183	0.3
80.78013	0.2
101.38287	0.3
125.09695	0.3
134.16109	0.3
137.09708	0.4
158.03804	0.3
165.09225	0.7
182.03737	1.5
198.03233	2.9
210.03212	0.5
213.01959	1.5
214.02660	0.4
216.00485	0.4
225.01958	0.6
226.02734	14.7
237.01971	0.9
238.02681	0.9
253.01477	2.5
253.03925	0.3
253.05060	0.3
253.12335	0.4
254.02171	3.2
255.02568	0.3
281.00928	1.1
282.01718	100.0
283.02057	6.5
297.04059	45.3
297.24216	0.4
298.04407	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	297.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
67.71670	0.6
70.32360	1.3
83.82718	0.6
106.96598	0.6
117.03479	27.0
119.04988	0.9
122.03784	0.7
123.04541	2.7
123.78953	0.7
145.02971	100.0
146.03322	2.4
150.03223	1.7
151.04018	5.1
209.06070	1.9
210.06824	1.0
211.07674	1.8
221.09789	2.4
222.06897	1.0
223.07652	1.3
225.09245	11.1
226.09592	1.0
235.17087	0.9
237.09239	4.7
238.10034	3.5
247.07712	1.2
252.07880	0.7
253.08731	11.4
253.12349	2.4
264.07919	0.8
265.08780	1.0
270.08990	1.7
282.01657	4.6
297.04214	1.8
297.07684	9.0
297.11346	9.7
297.14966	3.6
297.24268	1.4
298.11761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0772
Annotation	Judaicin (isoflavene)
Peak:m/z	Relative Intensity
57.79238	0.2
69.55199	0.9
93.03447	0.3
101.62408	0.2
105.03449	0.3
108.02208	0.5
117.03480	25.2
118.03791	0.4
119.05029	0.7
121.02943	0.4
122.03771	0.4
123.04535	3.9
136.07744	0.3
139.04051	0.3
145.02966	100.0
146.03317	3.7
147.04530	0.5
150.03252	2.0
151.04012	4.4
161.02388	0.5
253.08801	1.3
297.04327	0.5
297.07770	1.6
297.12561	0.3
297.24362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.1
67.66714	0.5
69.03473	0.8
69.26427	3.5
84.99309	1.0
86.90081	0.6
87.00883	14.0
103.00375	8.8
112.74143	0.6
112.98818	18.5
115.24353	0.5
121.10251	26.4
122.10617	1.2
130.99886	1.7
135.04562	1.0
145.02992	0.7
149.00946	1.1
161.02533	0.9
165.09227	100.0
166.01779	0.7
166.09557	3.8
179.10719	0.8
223.13454	1.4
235.13356	1.5
253.04962	0.8
253.14464	0.7
279.12701	0.8
297.04074	2.4
297.07062	0.7
297.10223	0.8
297.13538	1.6
297.24472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1135
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
51.00826	0.6
52.99966	0.5
67.60527	0.6
70.72753	1.2
87.40785	0.6
201.60686	0.6
223.07613	1.3
237.09248	2.4
238.06400	3.4
239.07091	1.3
239.10814	7.0
240.07910	1.7
249.09267	1.5
251.07103	1.0
251.08194	0.8
251.10844	8.1
263.07062	1.3
264.07944	1.0
265.08624	1.4
266.09482	31.8
267.10251	19.1
268.10818	1.4
269.11752	4.9
277.08627	0.7
278.09549	8.2
279.10245	9.0
280.10608	0.7
296.10574	22.8
297.11346	100.0
298.11725	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	297.1137
Annotation	Enterolactone
Peak:m/z	Relative Intensity
59.01360	1.5
70.69408	2.4
90.01767	1.4
142.45741	1.4
165.07094	4.7
177.04784	1.6
179.08699	3.1
181.10269	25.2
182.10512	1.7
195.11803	15.0
207.11852	4.9
209.09750	3.3
209.13394	21.3
210.13715	1.7
214.89583	1.4
222.59761	1.3
223.11288	4.2
225.12878	5.6
226.02951	1.5
245.66862	1.8
251.10574	1.8
253.12379	100.0
254.12564	7.3
282.01712	2.1
297.07846	5.5
297.11353	80.3
297.14877	6.1
297.24417	3.6
298.11713	4.6
310.63724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42720	1.3
59.15758	1.1
71.17168	1.5
87.96485	1.2
96.03931	1.2
112.79951	1.2
150.59131	1.2
161.02455	2.0
198.03320	1.1
209.13464	6.1
209.15125	1.2
223.07669	1.3
226.02719	4.0
237.09233	2.5
238.06403	3.8
239.07034	1.4
239.10800	4.9
240.07910	1.5
241.08733	1.5
249.09074	1.6
251.10870	5.7
253.08607	1.3
253.12357	2.0
263.07275	1.6
265.08771	2.6
266.06763	1.9
266.09506	28.8
267.10254	18.7
269.08160	1.9
269.11932	5.1
271.16815	1.2
278.09573	7.3
279.10309	9.2
282.01733	27.3
282.04819	2.0
283.02078	2.0
296.10608	19.7
297.04446	15.8
297.07755	7.9
297.11328	100.0
297.24490	1.7
298.04526	1.8
298.08801	1.2
298.11646	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	297.1135
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
50.40352	0.3
57.93610	0.3
64.37691	0.3
71.10052	0.3
93.55158	0.3
167.67432	0.3
183.01251	1.1
212.08511	0.4
227.10739	2.8
239.07175	2.1
241.12334	1.3
253.08713	15.6
254.09470	6.4
255.09991	1.0
267.06708	0.7
269.11856	53.4
270.12177	3.6
271.34570	0.3
280.07513	0.4
281.08203	4.9
282.08884	2.0
286.08493	0.6
297.11353	100.0
298.11728	8.5
298.15509	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
59.01375	0.6
63.13267	0.1
64.19274	0.1
69.13778	0.2
69.14172	0.8
74.85705	0.1
121.36516	0.1
125.09697	0.2
129.32224	0.1
155.08588	0.2
168.46152	0.1
170.07365	0.7
184.25809	0.1
192.07698	0.1
198.03191	0.3
207.08183	0.1
209.09720	1.1
209.15479	0.2
210.10506	0.4
213.01913	0.2
222.06908	0.7
223.07701	1.5
223.11211	0.2
225.02036	0.2
225.09320	0.2
225.12819	0.3
226.02750	1.4
227.07245	0.2
237.09227	10.8
238.09990	13.7
239.10480	0.9
253.12355	100.0
254.02223	0.4
254.12689	6.4
254.67514	0.1
269.08276	1.1
270.08994	4.5
271.09302	0.4
282.01712	10.8
283.02087	0.7
296.06781	0.2
297.04065	4.7
297.07700	2.0
297.11340	9.4
297.24426	0.3
298.04453	0.3
298.08115	0.2
298.11606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1498
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
51.41949	1.8
61.98837	2.2
73.74142	1.7
84.54834	1.7
98.21887	3.8
107.90297	1.8
137.14198	1.9
183.01228	13.6
224.62250	2.3
244.99876	1.9
253.12354	4.6
254.13197	2.6
269.15475	34.7
270.15936	2.6
282.12634	2.5
297.15063	100.0
297.24335	23.2
298.15375	7.0
298.24820	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42023	0.2
59.01353	0.2
61.98832	0.3
70.64883	0.1
70.65222	0.4
121.94337	0.2
172.88544	0.2
199.11308	0.3
201.12909	0.4
213.05641	0.2
214.06381	1.1
214.89757	0.2
225.05664	0.2
226.06267	0.2
226.09796	0.2
228.07932	0.7
229.08723	0.3
237.09277	0.2
237.12703	0.2
238.06377	0.3
239.07098	0.4
239.10803	0.3
240.07938	0.6
242.09628	0.1
253.08681	0.4
253.12384	0.3
254.09456	1.9
255.10223	0.2
256.11099	0.2
266.09387	0.8
267.10260	6.2
268.10721	0.4
269.15433	0.4
279.13840	0.3
280.11349	0.2
281.11841	11.4
282.12601	8.7
282.15656	0.1
283.12933	0.8
295.13535	0.4
296.14200	0.9
297.14966	100.0
298.15323	8.4
299.09265	0.2
314.11520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1501
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
53.64632	0.2
53.74149	0.2
58.74504	0.2
62.35926	0.2
69.97221	0.5
69.97586	0.4
72.30135	0.2
75.18690	0.2
77.91013	0.2
78.95874	0.2
79.57640	0.2
97.60313	0.2
98.21877	0.2
121.84885	0.2
140.86542	0.3
172.88663	0.3
183.01236	0.4
197.02898	0.3
214.89680	0.6
221.92641	0.2
238.09926	0.2
239.10686	1.0
241.12376	3.6
242.12619	0.4
246.83913	0.2
251.10889	0.3
252.07831	0.3
253.12357	5.9
254.09424	0.5
254.13150	1.8
266.09607	0.6
267.10287	4.0
267.13892	1.0
268.10645	0.6
268.14349	0.9
269.12036	0.8
269.15445	5.7
280.11044	0.5
281.11865	8.4
282.12640	20.5
283.12949	1.3
285.11472	0.3
286.11597	0.3
296.14148	0.3
297.14984	100.0
298.15341	8.7
298.18048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.186
Annotation	5,6-Dehydrosugiol
Peak:m/z	Relative Intensity
65.53221	0.4
68.69112	0.5
70.63511	0.6
74.01168	0.4
81.88535	0.4
82.37801	0.4
89.91890	0.5
91.05183	0.4
91.10117	0.4
113.31757	0.5
121.93774	0.4
176.71954	0.5
201.03706	0.4
213.09155	1.8
213.56479	0.5
228.11575	60.1
229.11905	3.8
297.18622	100.0
298.19000	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	297.1861
Annotation	5,6-Dehydrosugiol
Peak:m/z	Relative Intensity
65.31946	0.3
70.72157	0.5
70.72491	0.4
73.65575	0.3
77.71815	0.3
147.79346	0.3
169.06575	0.3
200.08421	4.6
201.09198	1.6
215.10762	0.4
226.09990	1.1
228.11598	0.5
239.10837	0.5
241.12355	44.6
242.12654	2.9
267.13965	1.4
279.17850	0.3
281.15430	1.3
282.16199	4.1
297.18604	100.0
298.16226	0.3
298.18948	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1863
Annotation	5,6-Dehydrosugiol
Peak:m/z	Relative Intensity
59.01409	0.2
68.59883	0.2
88.86121	0.2
98.22607	0.6
98.66039	0.2
128.56145	0.2
135.41626	0.2
160.20331	0.2
183.01291	0.2
226.10043	0.5
239.10764	1.5
240.11554	0.4
242.09447	0.5
251.10831	0.2
253.08330	0.2
253.12315	2.0
254.13121	3.0
255.13509	0.4
266.09348	0.3
267.10745	0.6
267.13898	13.0
268.14218	1.0
279.10397	0.3
281.15491	14.6
282.16263	65.7
283.13812	0.2
283.16599	5.4
297.11395	2.3
297.15533	3.7
297.18597	100.0
298.15677	2.1
298.18942	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	297.1865
Annotation	5,6-Dehydrosugiol
Peak:m/z	Relative Intensity
52.93254	0.8
59.01371	2.9
59.72652	0.9
134.63544	0.9
141.24167	0.9
170.00423	1.6
183.01219	44.1
184.01642	2.1
197.02750	2.7
197.57700	1.1
200.08389	1.0
225.09128	2.2
267.13895	3.1
281.15598	4.5
297.15259	81.6
297.18607	100.0
298.15643	7.3
298.18954	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.186
Annotation	5,6-Dehydrosugiol
Peak:m/z	Relative Intensity
61.98828	1.7
67.10516	0.9
71.36839	0.8
74.41819	0.9
85.06599	56.2
89.35946	0.9
94.92535	1.2
98.22806	1.5
108.15826	1.0
119.94741	1.4
162.34225	1.0
172.88655	2.1
174.06239	0.9
183.01212	7.1
197.09822	1.1
199.11308	13.0
211.11292	9.7
212.12083	14.1
227.10741	1.2
253.08757	2.5
254.09476	1.8
269.11850	9.8
281.08167	1.0
283.17023	1.3
287.73709	0.9
297.11349	25.5
297.15161	24.5
297.18610	100.0
297.24167	3.8
298.12112	1.9
298.15692	4.5
298.19031	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	298.0484
Annotation	3'-hydroxy-biochanin A
Peak:m/z	Relative Intensity
59.01385	1.3
61.98774	0.2
63.02400	0.9
65.00327	1.1
82.42487	0.2
83.01379	0.4
86.02968	0.3
91.01902	0.3
93.03464	0.7
96.96022	0.3
107.01392	2.2
117.03484	3.7
118.03786	0.3
123.04491	0.5
135.00894	0.9
141.03447	1.1
145.02960	0.2
151.00375	1.8
155.05049	1.3
159.04549	2.2
167.05022	0.6
169.02974	0.5
171.04514	0.9
173.02310	0.4
173.06137	0.4
174.99174	0.6
182.03745	1.7
183.04533	11.2
183.06169	0.6
184.04829	0.5
185.02457	1.4
187.03995	0.7
189.49564	0.3
199.03976	0.9
209.02470	0.4
210.03145	0.4
211.04024	5.2
212.04352	0.3
213.01880	0.4
217.00374	2.0
226.02792	0.7
227.03514	4.5
237.01880	0.3
239.03423	0.4
255.03009	64.3
256.03384	3.5
263.27777	0.2
282.01669	0.4
283.02505	100.0
283.37964	0.3
284.02866	5.5
298.04846	54.2
299.05203	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	298.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00327	2.0
54.21352	0.5
54.64061	0.5
59.01387	5.8
68.01422	12.5
70.58163	1.3
71.01390	2.2
77.91470	0.6
85.02969	0.7
89.02463	1.8
92.05080	1.0
93.03444	0.8
101.04502	0.7
103.84090	0.6
107.05033	0.7
120.04571	2.0
121.03018	0.6
122.06148	3.5
123.04583	0.7
132.04572	0.8
134.06143	5.7
135.03261	8.9
135.04524	3.5
136.04056	88.1
137.02440	1.9
137.04874	13.2
138.05542	1.2
149.04816	0.6
150.05603	5.9
160.04073	0.9
163.03999	0.9
164.03574	0.8
164.07133	1.1
165.02933	1.4
165.04326	24.2
166.04938	1.7
167.01662	0.7
178.05099	32.1
179.03523	1.6
179.05446	0.6
208.06177	1.1
217.00319	0.9
224.49178	0.6
238.07118	0.9
239.05594	1.4
284.03409	1.2
298.09351	100.0
299.05258	0.6
299.09744	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01726	0.8
62.02954	0.5
63.34581	0.5
65.60270	0.5
71.01385	0.6
71.45361	0.5
72.99324	0.7
78.95908	3.7
84.60606	0.6
88.00916	0.6
89.02475	0.7
93.03489	0.7
98.99374	0.7
101.02461	0.8
114.98905	2.4
117.00510	0.9
137.02502	1.5
137.38022	0.6
141.00519	0.6
156.99907	4.5
157.03590	4.4
158.93294	0.6
159.01588	1.8
174.99274	8.4
175.02802	1.0
200.95544	2.7
201.02577	62.2
202.02724	3.4
217.00331	27.3
218.00774	0.7
276.88437	0.6
299.01080	0.7
299.07846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01389	47.5
65.00354	1.7
70.90914	2.2
71.01389	10.5
72.99321	2.6
73.02957	2.5
74.06809	1.5
79.81997	1.6
81.03462	4.3
83.01395	2.1
85.02970	1.5
89.02454	7.0
93.03474	2.4
95.01379	2.7
96.96027	6.2
97.02959	3.9
98.36552	1.9
101.02472	6.6
105.01946	3.0
106.35845	1.5
109.02951	8.6
110.00143	2.5
111.00863	2.6
115.29202	1.5
119.03507	1.5
121.02990	6.4
122.00139	5.4
123.00904	26.3
125.02402	1.9
125.99655	2.0
135.04541	8.9
137.02458	52.4
138.03250	14.6
139.00365	4.0
139.04031	5.5
153.01982	4.1
153.05573	10.1
155.03551	12.0
165.01974	3.3
166.99873	16.7
168.00591	3.8
174.99199	2.2
179.03522	6.6
180.04292	2.5
181.01451	44.2
181.03043	2.7
182.02217	40.7
183.03011	14.2
193.12349	2.6
193.73862	1.5
195.02989	5.4
195.06680	3.5
196.03767	19.6
197.04576	51.7
198.04803	2.0
210.01675	3.0
211.06180	4.7
217.00336	9.0
224.03308	28.3
225.04041	15.9
239.05630	88.9
240.06023	3.1
255.05077	2.9
255.12363	2.4
269.02838	2.1
281.06656	2.1
284.02927	2.5
284.05664	16.6
299.07809	100.0
299.11353	7.3
299.15024	3.6
300.08099	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	299.0775
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
59.01385	37.6
70.08208	1.1
71.01019	1.1
71.01389	15.3
71.25144	0.5
72.99319	0.6
73.02946	1.0
83.01347	0.9
85.02969	3.1
89.01939	1.1
89.02454	15.1
92.02689	1.3
93.03468	10.5
95.01383	1.9
101.02450	9.2
103.61861	0.5
113.02458	7.0
119.03499	5.0
133.02917	0.6
136.01677	3.5
137.02457	100.0
138.02840	3.5
143.03561	0.8
149.02493	0.8
151.03998	4.6
160.03854	0.6
161.04593	0.7
174.99274	1.7
179.03519	21.8
179.05186	1.2
199.15051	0.6
209.04597	3.5
217.00356	4.6
230.27570	0.7
239.05618	10.1
299.07764	32.7
299.14874	1.1
300.08044	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	299.0775
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01386	2.8
69.51206	0.5
69.51586	0.3
71.01391	0.2
81.03453	0.4
85.05856	0.2
89.02480	0.2
93.03463	3.7
100.99541	0.2
105.20286	0.2
106.26230	0.2
108.02180	0.5
109.02952	0.5
136.01677	2.6
137.02457	100.0
138.02789	3.2
165.37712	0.2
174.99266	0.7
179.03540	0.7
201.32086	0.2
208.30505	0.2
217.00342	2.1
239.05673	0.5
284.03467	0.4
299.07767	7.2
299.14938	0.4
300.08090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24295	1.0
58.92746	1.2
59.01388	22.2
59.30807	1.1
69.05394	2.0
69.05800	6.6
83.42437	1.0
87.00889	14.3
98.21802	2.4
103.00394	9.9
112.98828	16.4
117.88441	1.1
130.99849	1.5
138.84177	1.2
139.11113	1.5
143.85791	1.2
146.90456	1.2
158.47200	1.1
167.10802	100.0
168.11089	3.7
174.85133	1.0
227.03508	14.9
255.03017	27.0
256.03662	1.8
284.03314	29.0
285.03696	2.4
299.05637	16.1
300.06082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
59.01384	100.0
70.90878	1.3
71.01389	42.2
72.99332	2.3
73.02975	0.9
83.01390	1.3
85.02972	7.7
85.44937	0.9
87.00896	1.5
89.02454	52.8
93.03471	2.9
95.01409	3.0
95.85963	0.9
99.70513	0.8
101.02457	25.0
113.02464	17.8
119.03539	19.2
119.05038	29.3
131.03539	1.1
134.10080	0.9
136.01653	1.4
137.02446	10.4
137.06110	2.2
138.05621	2.8
143.03465	1.0
162.84010	0.9
174.99277	7.1
179.05757	1.7
182.02229	1.8
197.04546	2.2
217.00310	20.4
217.02255	1.4
224.03256	1.7
239.05649	2.0
239.11528	0.8
284.03308	2.4
299.01508	1.9
299.05301	1.8
299.08194	1.7
299.11530	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	299.1139
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01891	0.8
56.53861	0.6
57.03448	1.2
58.00601	1.4
59.01386	100.0
60.01727	0.8
68.83205	0.7
71.01392	42.9
72.99318	1.3
73.02946	1.1
83.01409	2.2
85.02966	7.2
87.00930	1.6
89.02457	58.4
90.02827	1.1
95.01401	3.6
96.49451	0.7
101.02458	24.5
101.03108	1.4
108.32056	0.7
113.02464	18.3
119.03531	20.8
119.05030	28.7
120.05421	1.2
123.43488	0.8
125.88660	0.7
131.03554	2.4
137.02475	1.9
137.06140	2.6
138.05647	1.3
143.03503	1.2
149.04599	1.1
158.31334	0.7
161.04634	1.4
174.99278	1.3
179.05713	2.8
182.02261	1.3
197.04677	0.9
208.28268	0.7
217.00307	5.5
228.49701	0.9
239.05727	1.7
289.39682	0.8
299.01550	1.6
299.08090	1.4
299.11508	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	73.2
70.46957	1.6
72.99306	1.9
73.60475	1.6
84.99312	2.4
87.00884	29.6
103.00381	21.0
112.98831	46.4
119.48458	1.9
121.42649	1.8
130.99873	3.5
144.48851	2.2
149.00984	3.6
150.85078	1.5
167.10794	100.0
168.11153	4.9
299.11398	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	299.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03397	1.6
53.15441	1.3
57.37760	1.3
59.01386	82.4
59.90148	1.3
62.50267	1.4
65.00333	2.4
66.91742	1.4
71.42614	1.7
72.99316	8.9
79.95750	2.1
84.99323	2.2
87.00887	48.5
89.21442	1.6
102.99731	2.2
103.00389	34.8
108.64509	1.6
110.00068	2.2
112.98821	56.0
112.99612	2.8
121.10258	3.0
130.99864	6.0
136.98853	1.8
148.99713	2.4
149.00935	52.4
167.10793	100.0
168.11076	3.4
174.99329	3.3
214.08673	3.3
217.00336	8.1
268.13458	3.8
270.99005	3.1
271.02399	3.4
284.03357	14.3
299.02008	3.9
299.05563	4.5
299.11295	6.6
299.99319	2.1
300.16058	11.5
313.92566	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1294
Annotation	alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol
Peak:m/z	Relative Intensity
57.52367	2.1
59.01389	28.3
64.40745	2.0
70.32835	3.3
80.18993	2.1
80.55111	2.1
110.99477	1.9
121.91479	2.0
127.11316	2.9
137.02510	2.4
139.11322	5.8
158.56230	2.0
171.76642	2.0
174.99260	6.5
178.98579	2.6
193.65654	2.4
209.13354	20.3
211.14946	100.0
212.15277	5.7
217.00320	23.4
225.12846	4.3
255.13954	81.7
256.14413	3.6
281.11710	2.6
284.03256	9.8
284.06412	3.2
299.05591	3.5
299.13004	59.3
299.16492	7.8
299.20062	9.4
300.13354	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	299.1652
Annotation	14-Hydroxyandrosta-1,4-diene-3,17-dione
Peak:m/z	Relative Intensity
58.93729	0.4
60.09840	0.4
70.72081	0.9
77.34538	0.5
96.25236	0.5
97.05756	0.4
210.06810	0.7
212.08353	0.5
216.23094	0.4
238.09990	2.1
241.12396	1.8
243.13921	1.8
253.12383	8.9
254.12688	0.7
265.12366	8.8
266.13150	6.5
267.13327	0.5
269.19080	0.6
280.14691	3.9
281.15494	65.6
282.15836	5.2
297.14905	1.9
299.16531	100.0
299.20178	42.6
300.16870	9.4
300.20520	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	299.1653
Annotation	4-Methoxyestrone
Peak:m/z	Relative Intensity
66.76455	0.4
70.55193	0.9
72.65164	0.4
76.01786	0.4
98.01758	0.5
124.25078	0.4
138.58525	0.4
159.04749	0.4
209.42517	0.4
212.12071	4.0
225.09219	0.5
225.16522	3.5
239.10834	1.1
240.11574	15.3
241.12074	1.1
241.15955	4.3
242.16324	0.6
243.17537	0.4
251.10654	0.4
251.14450	0.7
253.12360	6.5
254.13020	2.8
265.12247	2.3
266.13077	0.9
269.15479	45.7
270.15842	3.1
271.09814	1.9
281.15491	17.1
282.15659	1.9
297.15002	0.9
299.16544	100.0
300.16861	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1656
Annotation	11alpha-Hydroxyandrosta-1,4-diene-3,17-dione
Peak:m/z	Relative Intensity
51.38731	0.5
59.01390	2.9
64.50951	0.6
68.45904	0.7
69.73414	1.1
69.73788	1.9
113.35425	0.7
174.99324	1.4
212.12122	3.0
213.59935	0.6
217.00308	4.1
225.09250	0.8
225.16525	2.7
239.10767	1.3
240.11591	11.6
241.12071	0.9
241.16031	3.5
248.95410	0.6
253.12428	3.7
254.12894	2.3
265.12436	1.5
266.12936	0.8
269.15479	35.6
270.15918	2.0
271.09698	0.8
281.15491	13.0
282.15836	3.6
283.09641	0.9
284.13916	1.6
299.16495	100.0
300.16849	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	299.1865
Annotation	Achaetolide
Peak:m/z	Relative Intensity
51.15288	0.3
55.01874	1.1
57.03455	5.4
58.00612	0.3
59.01377	0.9
69.03464	8.8
81.65402	0.3
83.01383	0.4
83.05026	0.7
84.02193	0.7
85.02960	27.6
86.03291	0.4
87.04553	0.4
89.37167	0.4
91.13490	0.3
93.03442	0.3
95.05046	1.6
97.02964	3.1
97.06603	8.8
99.08175	3.6
100.03185	0.4
108.05804	0.5
109.02982	0.8
119.08677	2.2
125.06091	7.4
127.07698	0.6
135.08159	0.6
137.06085	0.5
137.09737	9.1
139.11195	0.4
142.38206	0.3
143.07152	71.1
144.07489	1.8
149.09749	0.7
155.07124	0.8
155.10799	0.6
173.08241	1.9
175.04005	0.4
183.10312	1.0
193.08659	0.5
199.04082	0.5
200.01204	0.4
201.11418	0.9
206.87912	0.4
217.00174	0.6
263.16498	0.9
281.17599	0.8
283.99826	0.6
284.03201	0.9
299.05576	1.0
299.18655	100.0
300.18973	6.5
300.22186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2018
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
53.00888	0.2
63.17065	0.2
71.03152	0.3
87.91171	0.2
176.08427	0.4
179.07100	0.2
215.10754	0.4
223.57071	0.2
225.12898	0.3
227.10786	1.1
228.11548	0.4
241.12364	0.3
243.13937	12.1
244.14317	0.9
269.15320	0.3
283.17117	1.0
284.17581	0.2
299.20190	100.0
300.20529	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	299.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.9
70.22456	0.6
70.22789	1.0
73.16123	0.5
75.59953	0.6
81.08519	0.5
84.33064	0.5
98.03164	0.6
99.70488	0.5
100.02469	0.6
143.27121	0.6
143.73337	0.5
174.99242	1.5
185.00778	0.9
217.00317	6.1
227.10814	7.6
228.11343	0.8
283.17160	0.7
284.03271	1.9
299.20175	100.0
300.20511	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	299.2019
Annotation	Sugiol
Peak:m/z	Relative Intensity
52.97703	0.3
54.06123	0.3
54.48238	0.3
59.01376	0.7
59.67874	0.3
66.22665	0.3
70.63102	0.6
70.66919	0.3
74.97710	0.3
78.63380	0.3
88.71918	0.3
118.42527	0.3
126.04566	0.3
160.52333	0.3
180.85068	0.3
187.97775	0.3
213.09198	0.4
217.00320	0.8
227.10674	0.5
229.88669	0.3
238.09978	0.9
239.10756	0.4
241.12332	0.8
243.13840	0.7
253.12367	3.7
254.12755	0.8
259.49042	0.3
265.12344	4.1
266.13010	2.6
269.15445	0.6
269.19080	0.7
271.16769	0.4
280.14819	1.5
281.15503	30.0
282.15860	2.7
284.03171	0.4
297.14874	0.7
299.16544	51.6
299.20157	100.0
300.16882	5.0
300.20511	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01624	0.1
59.01375	0.1
67.67082	0.1
70.00578	0.2
88.07426	0.1
98.22577	0.1
105.66859	0.1
144.28381	0.1
162.02437	0.1
164.08429	0.1
188.08347	0.2
202.09938	0.1
213.09222	0.1
215.10793	1.9
216.11115	0.2
217.00311	0.3
227.10771	0.9
228.11551	1.6
229.12111	0.2
230.13148	0.2
241.12077	0.1
243.13914	0.2
243.17586	0.1
269.15451	1.0
269.18903	0.1
271.17026	0.1
281.15390	0.5
282.15814	0.1
283.17047	1.5
284.17834	2.2
285.18384	0.2
299.20166	100.0
299.25800	2.8
300.20511	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74645	0.7
57.99310	0.7
59.01379	2.0
67.53415	0.5
70.20147	1.3
70.20493	0.8
75.80757	0.5
84.16999	0.5
92.76373	0.5
135.04535	0.6
139.43880	0.6
213.41241	0.5
215.10817	1.0
217.00262	0.7
228.11537	1.2
248.18460	0.6
269.15292	1.0
283.17175	0.7
284.03226	1.6
284.17590	1.3
293.85736	0.6
299.20187	100.0
299.25809	2.6
300.20523	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	299.2019
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
52.53407	0.4
59.01381	4.3
61.63762	0.3
64.06127	0.3
68.42303	0.3
69.21085	1.7
69.21459	0.6
79.34084	0.3
81.03458	0.3
83.05025	1.0
101.65067	0.3
102.10608	0.3
119.08678	0.4
121.02940	1.4
121.37164	0.3
135.08237	0.3
160.43802	0.3
165.09236	2.7
166.56810	0.3
174.99222	1.5
175.07637	1.0
176.08165	0.3
214.64856	0.3
217.00330	4.0
227.10709	1.5
240.11581	0.6
241.12312	1.2
243.10338	0.4
253.12305	1.4
255.10329	0.8
256.10727	0.4
256.14722	8.2
257.15057	0.5
269.15549	1.0
283.17108	2.7
284.03339	0.8
284.17841	0.5
288.17236	0.3
298.19440	1.4
299.12943	3.6
299.16965	3.9
299.20166	100.0
300.20508	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	299.2595
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
51.22831	0.3
59.01384	3.0
69.65628	0.9
88.05802	0.3
94.90097	0.3
99.08549	0.3
102.68952	0.3
119.00763	0.3
128.36281	0.3
139.11339	0.4
141.12852	2.7
155.14435	0.4
174.99255	1.0
200.94521	0.5
217.00301	4.1
225.09404	0.3
240.11639	0.6
241.12108	0.4
241.16003	0.4
243.17667	0.7
253.12407	1.1
253.25403	1.2
265.12341	1.1
266.13181	0.5
269.15506	2.4
269.18466	0.4
271.17166	1.6
281.15491	6.7
281.24701	1.7
282.15826	0.9
283.17316	0.4
284.03513	0.5
297.24429	0.9
299.16528	25.4
299.20206	21.7
299.25922	100.0
300.16849	2.6
300.20554	1.8
300.26291	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	301.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	93.6
60.01719	0.6
69.33401	1.3
73.68040	0.3
74.99368	0.4
88.88763	0.4
98.22665	0.6
98.59010	0.3
103.04002	0.4
115.02526	12.0
116.02635	0.5
117.00449	8.1
130.08755	0.4
135.99524	0.3
139.42934	0.3
141.00409	0.4
157.03542	2.7
159.01506	100.0
160.01639	5.3
174.99477	0.5
189.74854	0.3
199.91550	0.3
201.02560	24.7
202.02762	1.3
203.02342	0.5
217.00572	1.1
241.00601	0.5
257.03702	0.7
259.01675	3.5
260.01770	0.4
301.02667	43.8
302.02765	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	301.0935
Annotation	Isotachioside
Peak:m/z	Relative Intensity
59.01383	83.3
62.98880	0.6
63.73440	0.5
70.69834	1.2
71.01388	5.5
73.02944	2.1
81.90028	0.5
82.51154	0.5
83.01383	0.8
85.02962	2.5
89.02464	0.6
90.75081	0.5
90.90755	0.5
93.03465	2.5
95.01397	6.9
100.99190	0.6
101.02451	3.6
107.09505	0.6
108.02169	0.8
113.02443	3.1
115.02527	9.7
116.02668	0.8
117.00455	8.9
121.02979	3.9
122.03756	0.9
123.00899	100.0
124.01794	5.2
137.02475	3.9
138.03244	62.8
139.04037	36.1
139.05142	1.4
140.04382	1.2
141.00438	1.1
143.00182	1.3
149.02440	2.1
151.04050	1.4
157.03575	2.5
159.01511	93.1
159.96542	1.3
160.01656	6.2
161.04541	3.3
163.04088	0.6
166.02754	2.5
181.05083	5.0
188.43900	0.6
193.05031	2.0
201.02567	20.0
202.02808	2.0
217.00400	1.3
246.31581	0.6
259.01550	3.7
300.99771	2.1
301.02689	43.3
301.08887	2.8
302.02780	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	301.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	54.2
70.40323	2.5
72.99295	1.9
84.99333	3.2
87.00886	29.6
96.06889	1.1
99.51218	1.3
103.00377	23.8
112.98827	39.6
113.99253	1.3
130.99850	2.9
131.19203	1.6
149.00880	1.8
154.75433	1.3
169.12363	100.0
170.12653	4.1
282.24942	1.4
301.12851	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	301.1664
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97506	0.8
63.44022	0.2
70.48950	0.4
70.49287	0.3
74.99100	0.8
79.96751	0.2
83.46190	0.2
88.19968	0.2
118.96271	1.0
134.08733	0.2
134.99429	5.4
136.97342	1.7
141.07407	0.3
143.05350	1.7
159.08456	1.3
161.06429	5.5
161.07782	0.4
189.01039	0.3
201.04047	0.6
203.05685	3.4
205.03531	1.4
215.05717	0.8
217.07234	79.0
218.07352	5.2
272.39987	0.2
283.12000	0.5
285.13510	32.8
286.13681	3.2
300.99966	3.6
301.16632	100.0
302.00302	0.3
302.16824	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	301.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90913	0.2
55.38813	0.2
57.03432	0.5
69.07786	0.8
69.08211	1.1
85.77552	0.3
87.55397	0.3
95.05003	0.3
97.06602	2.2
99.08169	1.6
125.06054	1.3
127.11256	0.9
139.11302	4.3
143.07164	10.3
157.12303	0.4
159.11801	1.5
198.10587	0.4
227.14325	0.5
229.15990	12.4
230.16243	0.8
241.16103	1.3
245.19130	33.4
246.19469	2.0
269.15292	0.7
271.17093	0.3
273.15845	0.5
273.18640	9.4
274.18857	0.7
300.99911	2.7
301.17917	100.0
302.00052	0.3
302.18289	10.0
306.86594	0.4
322.80054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2023
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03452	2.2
60.99295	0.4
69.03438	0.8
69.18679	1.2
69.19090	1.0
71.05011	1.1
72.70246	0.3
83.05006	0.4
84.02152	0.6
85.02947	0.7
95.05035	1.0
97.06603	10.0
98.06927	0.3
99.08170	12.6
113.09734	0.5
118.38977	0.3
121.10244	0.7
125.06094	7.1
127.07675	0.5
127.11303	7.0
137.06070	0.6
137.09720	1.8
137.62311	0.4
139.11304	30.9
140.11636	1.1
143.07156	63.8
144.07535	2.0
155.07106	0.4
155.10802	1.5
157.12360	3.5
173.08281	0.5
183.10313	0.4
229.16100	1.0
245.19154	2.8
257.11819	0.4
265.18213	0.6
273.18646	0.8
283.19363	0.6
300.99893	4.0
301.20352	100.0
302.20786	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	301.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82829	0.2
56.40134	0.2
61.98817	0.3
70.47530	0.2
78.42410	0.2
82.35971	0.2
84.51913	0.2
85.94636	0.1
92.92830	0.3
108.35493	0.2
116.92847	0.3
145.02875	0.2
173.02357	0.3
185.02469	0.4
198.61642	0.2
215.10732	0.2
217.12453	0.4
229.12332	4.9
230.13054	0.8
243.13957	0.6
271.16995	0.5
283.99747	0.3
284.17834	0.9
285.18671	2.0
286.19202	0.4
299.04605	0.2
299.99261	0.2
300.99960	5.1
301.21753	100.0
302.00299	0.5
302.22110	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	301.2177
Annotation	Abietic acid
Peak:m/z	Relative Intensity
70.64948	0.3
90.33169	0.1
92.52547	0.2
92.92784	0.2
128.68843	0.2
145.02992	0.2
165.30858	0.2
173.02509	0.3
174.86029	0.2
180.03975	0.2
185.02399	0.2
201.02032	0.3
215.10715	0.2
229.01341	0.3
245.00774	0.2
254.62688	0.2
257.00903	0.2
271.17026	0.6
283.99500	0.2
285.18634	0.6
286.19135	0.8
299.99222	0.3
300.96487	0.4
300.99942	7.2
301.21747	100.0
302.00262	0.4
302.22095	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07281	0.2
60.19618	0.2
69.52532	0.8
71.44106	0.2
81.85471	0.2
199.11356	1.1
211.11287	1.4
225.12978	0.2
267.17572	0.7
271.17050	0.4
283.20697	100.0
284.21021	9.2
284.25812	0.3
297.42523	0.2
300.99957	0.7
301.21759	18.8
302.22107	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	301.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61995	0.5
61.98823	0.5
71.42438	0.5
71.42783	0.6
77.61176	0.4
103.56981	0.4
130.40834	0.4
132.65308	0.5
134.03755	0.9
137.02478	0.6
163.07681	0.9
177.09222	0.6
179.03490	0.5
185.02464	0.4
201.01831	0.4
257.15466	1.8
262.66388	0.4
267.17487	0.6
273.18741	0.4
283.20685	26.0
284.21005	2.3
300.99988	6.4
301.21735	100.0
302.18723	0.8
302.22101	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2177
Annotation	12-Hydroxydehydroabietinol
Peak:m/z	Relative Intensity
53.73995	0.2
57.03438	0.5
60.88730	0.2
64.14201	0.2
69.12177	1.5
172.06770	0.2
188.03227	0.3
208.66333	0.3
243.00520	0.3
243.17561	8.0
244.17979	0.5
250.23077	0.3
257.19150	1.2
269.19122	5.0
270.19574	0.3
271.20706	60.7
272.21039	4.7
283.16141	0.4
283.20715	4.4
284.21158	0.4
285.18573	0.9
300.99988	2.6
301.21759	100.0
302.22107	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	301.2177
Annotation	Abietic acid
Peak:m/z	Relative Intensity
50.45648	0.5
52.79641	0.4
71.27946	0.8
89.19455	0.4
91.92798	0.4
92.92817	1.1
93.94805	0.5
173.02451	0.8
185.02344	0.7
201.01952	0.7
205.12352	29.4
206.12720	1.8
220.14685	5.3
229.01273	0.5
243.17540	2.6
252.13664	2.1
285.18784	0.5
300.99948	12.2
301.21765	100.0
302.00333	0.8
302.22125	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	301.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64472	0.2
61.98821	0.5
69.00776	0.3
70.63505	0.6
73.08768	0.3
92.92818	0.8
116.92867	0.4
142.57391	0.3
144.27953	0.3
145.03015	0.5
173.02446	0.3
185.02425	0.4
201.02011	0.5
229.01401	1.0
245.00934	0.6
271.17020	0.4
283.99661	0.9
285.18710	0.7
299.99142	0.8
300.99915	14.1
301.21750	100.0
302.00317	1.0
302.18671	0.5
302.22098	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	304.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	21.2
60.01721	2.4
61.01820	0.7
61.76714	0.3
61.98835	100.0
70.91316	0.3
73.64391	0.3
79.81677	0.3
81.89929	0.3
115.02569	0.6
116.02640	1.0
117.00446	0.3
117.02245	1.3
117.95547	0.3
118.00623	0.4
118.97659	0.3
119.00191	0.8
119.95289	1.2
134.97105	1.4
153.75342	0.3
159.01521	3.3
159.02835	0.3
159.03397	0.3
159.96645	0.9
160.01637	8.9
160.96756	0.3
161.01218	11.8
161.96277	3.0
161.98964	20.8
162.01604	2.6
162.96538	2.5
162.99144	1.1
176.98161	0.3
183.67412	0.3
201.02640	0.3
202.02736	1.9
203.02338	2.2
204.00055	3.5
204.02838	1.0
217.95528	0.3
232.06293	0.3
234.97234	0.4
261.94720	0.3
261.99188	0.4
262.01776	0.9
278.96265	0.7
304.00162	8.2
304.02887	8.1
304.07727	0.3
305.03180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04863	0.3
59.01383	31.8
59.97323	0.4
60.01720	3.4
61.01812	0.6
61.98833	100.0
70.49445	0.3
70.67588	0.4
74.02458	0.3
86.02485	0.4
96.95651	0.3
98.88396	0.3
101.10155	0.4
104.05476	0.4
115.02533	0.7
116.02626	1.0
117.00453	0.6
117.02241	1.7
117.95571	0.6
118.00547	1.0
119.00193	2.4
119.95276	1.5
134.97037	1.9
139.05144	0.4
146.99773	0.4
159.01517	3.8
159.96571	1.6
160.01631	11.7
160.96790	0.4
161.01225	13.5
161.96288	5.8
161.98962	18.0
162.01582	2.3
162.96564	3.2
162.99101	1.2
172.88174	0.3
174.99359	0.8
176.98103	0.6
201.02562	0.6
202.02727	3.0
203.02263	2.9
204.00040	3.9
204.02652	1.1
262.01617	0.9
304.00098	7.6
304.02847	8.7
304.15146	0.4
305.02802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10498	69.9
65.32833	73.5
68.18311	82.4
71.43690	100.0
103.16158	72.4
140.49985	81.3
208.21819	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53118	0.3
58.02983	44.0
59.01383	0.6
59.03294	0.4
69.19801	1.4
69.20222	0.8
92.41446	0.4
98.21909	0.8
124.48627	0.3
153.71794	0.3
154.06343	0.8
158.81410	0.4
168.13957	100.0
169.14322	4.5
195.13928	1.5
212.12891	2.4
213.13289	0.4
214.36119	0.4
246.92479	0.3
253.59055	0.5
260.12692	0.5
286.67795	0.4
288.72729	0.5
304.19122	0.8
305.08231	0.6
323.08234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0459
Annotation	Kinobscurinone
Peak:m/z	Relative Intensity
55.37331	0.5
56.29346	0.6
59.01319	1.2
70.96290	0.8
74.41012	0.6
76.27737	0.6
79.65144	0.6
108.02120	1.2
153.03468	0.7
193.06664	4.2
197.05910	0.8
205.06435	0.7
206.03674	0.9
210.03079	1.2
221.06093	21.7
222.06351	1.4
223.03992	2.1
234.03284	6.4
248.04755	1.4
249.05597	22.0
250.05795	1.0
276.04199	0.7
277.05084	100.0
278.05417	8.0
297.20709	0.6
305.04608	86.7
305.08047	4.9
306.04929	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	305.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	35.9
71.01382	1.7
71.42670	1.2
72.99338	0.9
79.95768	2.8
84.66267	0.9
89.09805	0.8
93.25943	0.8
96.96021	100.0
97.06609	0.9
113.06134	0.9
143.07071	0.9
147.08238	1.4
158.65158	0.8
173.06052	1.2
225.11348	19.7
243.10268	0.9
305.07083	65.1
305.10617	8.0
306.07333	5.1
306.10468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1611
Annotation	Creoside II
Peak:m/z	Relative Intensity
55.01876	3.1
57.03447	6.6
59.01385	94.1
65.03974	13.8
69.03420	1.6
71.00775	1.6
71.01391	24.0
72.89583	1.9
72.99326	3.7
73.02957	11.1
81.03461	5.9
83.01398	3.5
83.05038	12.1
84.02173	2.5
85.02960	100.0
85.98495	1.3
86.03245	1.5
87.00875	6.7
89.02450	10.6
95.01378	3.8
97.02949	1.6
97.06566	2.1
99.00851	3.0
99.04521	4.1
101.02448	21.0
103.30502	1.2
109.02954	1.6
111.08182	3.0
113.02468	11.0
119.03509	4.2
122.02484	1.5
123.08202	3.2
125.06120	2.8
127.04040	12.5
133.02966	6.9
134.03766	2.8
135.04541	10.0
141.09238	41.5
142.09560	2.1
143.03461	2.4
145.08667	3.1
149.02509	2.7
159.02924	1.7
161.04527	4.4
161.11838	2.2
175.81845	1.5
179.03494	5.1
183.10268	2.5
207.13905	1.7
216.99060	5.4
261.13416	2.2
287.15045	6.6
305.06708	2.3
305.12393	21.1
305.16055	59.9
306.16422	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	305.1762
Annotation	Corrin
Peak:m/z	Relative Intensity
50.71311	1.7
59.01376	6.1
61.98836	2.9
71.05026	45.3
81.03467	2.5
83.05020	3.6
95.05036	18.9
98.21909	7.1
106.04247	2.7
109.06613	15.8
119.05015	2.1
121.06581	5.2
135.08247	2.4
147.04620	3.3
149.57745	2.1
150.06934	2.4
161.06075	5.1
165.09216	11.6
189.12802	14.0
205.14317	1.9
205.16013	8.1
231.13881	2.4
233.11865	9.0
243.17479	10.4
247.06474	1.9
249.14883	12.8
261.18570	3.7
287.16565	78.9
288.16953	3.5
305.08130	5.0
305.17599	100.0
306.17917	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	305.1763
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01862	1.1
57.03440	2.8
57.41870	0.7
59.01380	3.0
61.98846	1.0
64.29635	0.7
65.03974	3.4
70.92002	0.7
71.05031	6.8
79.05543	13.3
83.05019	1.1
93.03479	1.5
94.04263	0.8
95.05022	1.5
97.06603	14.9
106.04256	8.4
107.05051	2.6
109.06615	2.4
117.07100	0.9
119.05011	0.9
120.05824	7.6
121.06576	2.3
123.08185	6.6
125.09747	16.8
126.10079	0.7
133.06630	0.9
135.08179	100.0
136.08534	4.3
137.09734	1.8
146.86678	0.9
149.45929	0.7
151.11261	1.9
159.08131	0.8
161.06049	0.7
162.91208	0.7
163.11308	2.0
169.95074	0.7
176.08461	1.3
177.12849	1.5
182.23564	0.7
183.10291	1.4
185.11832	2.6
189.12898	1.6
205.15971	6.2
207.10280	2.6
209.11830	2.0
221.11877	2.0
229.05109	0.7
231.13959	1.1
233.11919	1.4
235.13579	0.9
244.22493	0.6
247.13365	1.0
249.14973	50.7
250.15297	1.5
263.16525	2.7
269.15411	1.3
274.03183	0.7
287.16428	5.6
288.16672	1.1
305.08401	1.3
305.17609	71.8
306.17886	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	306.0766
Annotation	Glutathione
Peak:m/z	Relative Intensity
54.44429	0.5
56.16908	0.4
56.66016	0.4
58.02980	14.8
59.01383	1.0
60.82363	0.5
61.56324	0.4
66.03486	1.2
67.03034	0.6
68.05061	0.6
68.13165	0.5
69.27473	3.1
70.02970	1.8
71.01402	1.4
72.00900	2.2
72.99310	1.8
74.02478	29.7
81.04585	1.8
82.02991	4.5
84.04549	2.1
85.04101	0.8
86.02486	9.5
86.06125	2.0
86.99122	2.6
87.05642	11.4
88.04050	1.5
90.00203	3.8
94.03014	0.6
95.02491	0.7
95.06133	0.5
96.04558	1.2
97.04089	3.3
98.06103	0.6
99.05649	29.1
100.00420	0.6
101.02464	0.5
101.07224	4.6
102.05620	3.6
107.06131	0.6
108.88386	0.5
109.04089	4.2
109.07724	1.2
110.41917	0.5
111.05670	2.1
112.04047	4.8
113.03584	1.4
113.07229	1.2
116.01780	2.1
119.05054	0.9
120.01247	1.2
123.05668	3.8
124.04039	2.5
125.03608	2.7
126.04356	0.9
127.05152	6.0
128.03551	70.4
129.03891	1.2
129.99716	0.6
131.04640	2.6
132.02220	0.6
134.03766	3.1
134.04657	0.6
135.04602	0.9
135.05637	6.5
137.07227	1.9
139.01413	0.6
139.05165	0.5
141.06712	8.7
143.04634	100.0
144.01318	0.6
144.04965	1.9
145.02956	0.7
145.06216	4.2
146.04608	8.1
147.04630	0.6
149.06088	1.4
149.07225	1.0
153.06700	5.2
155.08267	1.1
157.34091	0.5
160.00729	21.6
161.01208	1.0
161.02475	3.0
162.03241	5.1
163.04042	1.3
166.09865	4.2
167.04649	7.1
167.08318	2.4
170.03342	0.9
171.04115	0.8
171.07791	1.0
175.02754	1.2
175.04031	1.9
176.03529	5.7
176.04881	0.5
177.01909	0.4
177.03394	8.8
177.04999	0.6
177.05675	1.2
179.04643	20.0
180.05023	0.8
180.07857	0.9
181.06258	2.4
184.10977	1.7
185.05702	4.2
189.02065	0.7
190.02721	3.4
192.07852	1.3
197.05629	4.0
198.08878	2.3
202.02737	1.7
203.03307	0.5
205.05098	2.7
210.08858	18.8
213.03285	0.7
218.02240	0.8
218.08072	0.6
228.09920	2.2
230.02281	1.5
231.04593	1.2
233.04572	12.8
242.07896	3.0
244.06050	0.7
245.04703	1.0
254.07829	23.4
255.08147	0.8
260.08902	1.1
262.07159	3.9
272.08893	27.4
273.09213	1.6
279.02917	0.7
288.06677	7.1
289.03625	1.1
289.45563	0.5
295.83566	0.5
300.79944	0.5
305.89725	0.9
306.07666	35.2
307.04883	9.0
307.08054	1.6
307.13821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.9
65.00316	1.1
68.99797	1.6
69.16475	0.4
69.23518	2.9
72.99315	18.5
80.19805	0.4
87.00867	3.1
88.93976	0.5
96.37379	0.5
106.04261	0.7
108.02135	0.6
116.26694	0.5
117.03458	1.1
118.04388	0.5
121.02966	0.6
130.04225	0.6
130.99922	0.6
132.02168	2.8
133.02943	1.4
134.03754	21.8
135.04597	3.8
136.01659	1.7
144.02229	0.8
145.02994	4.1
146.03748	0.9
148.05261	0.8
149.06076	7.4
151.03992	1.7
157.02911	0.5
158.03746	1.1
159.04514	4.2
160.01660	12.4
161.02461	21.1
162.03244	40.9
163.03812	2.1
173.02425	1.6
173.06059	0.5
174.03220	2.2
175.04018	17.5
176.04781	4.0
177.05579	13.5
178.02643	0.6
185.02432	1.8
186.03244	3.1
189.02016	1.0
190.02734	22.4
191.03113	1.2
191.07159	3.4
193.05064	1.2
201.05634	1.4
202.02733	13.1
203.03244	1.0
204.04294	1.6
205.05063	25.1
206.05498	0.6
214.02638	1.0
218.02194	7.7
219.06587	0.9
230.02208	12.1
231.02510	0.7
233.04564	100.0
234.04901	5.4
235.06102	1.0
245.04559	9.2
246.04811	0.6
248.03224	1.6
250.01295	0.8
263.05621	2.2
289.03583	8.9
307.04623	72.3
308.05005	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0461
Annotation	Fulvic acid
Peak:m/z	Relative Intensity
65.00326	1.4
68.99814	1.6
69.83354	1.9
72.99316	17.4
87.00877	2.2
92.46622	0.6
98.22595	1.0
98.81987	0.6
103.58937	0.6
108.02201	0.9
130.04268	1.0
132.02177	3.0
134.03752	19.0
135.04515	3.0
136.01732	1.5
139.00348	0.7
145.02957	1.0
146.03722	1.0
149.06082	6.9
151.04016	0.7
158.03726	2.0
159.04568	4.3
160.01680	11.4
161.02458	20.2
161.03735	1.4
162.03246	36.5
163.03806	1.6
163.53729	0.7
173.02440	1.6
174.03252	1.2
175.04025	17.3
176.04829	3.8
177.05602	13.2
185.02492	2.2
186.03252	3.5
189.01953	1.3
190.02740	23.4
191.03163	1.1
191.07114	4.0
193.04996	1.0
201.05609	1.4
202.02725	11.3
203.03439	0.8
204.04279	1.1
205.05067	22.7
209.32898	0.8
218.02161	7.0
219.06641	1.0
230.02249	9.1
233.04576	100.0
234.04956	5.5
235.06134	1.3
245.04573	9.0
246.02058	0.8
248.03380	1.1
263.05630	2.2
289.03589	9.3
307.04630	75.5
308.05072	5.9
325.09396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.9
59.01377	1.7
59.04321	0.8
67.01898	0.7
69.03462	100.0
70.03791	1.6
71.01403	1.6
71.58595	0.7
72.99326	1.9
73.43381	0.6
74.38647	0.6
79.01891	4.1
95.01411	2.3
97.02959	18.9
97.94689	2.9
98.22667	1.2
99.00887	23.4
99.92598	14.8
108.02190	1.0
115.92091	1.5
121.02966	5.5
124.93430	0.8
125.94185	1.6
135.04507	1.2
141.01952	7.7
145.08710	0.8
160.59688	0.6
169.93153	17.8
170.93227	1.4
185.00929	33.6
186.01302	1.0
196.85880	0.8
219.10324	0.8
219.13963	0.7
220.95435	2.1
245.08414	0.7
250.96573	0.8
263.12973	0.8
306.95544	4.0
307.04791	5.3
307.08298	1.4
307.11774	1.5
307.15308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93019	0.9
57.90917	0.8
59.01371	0.9
62.28825	0.8
81.31564	0.8
98.22714	2.1
116.07179	3.8
123.76698	0.9
145.72174	0.9
205.06647	1.0
221.06137	4.3
234.03259	1.4
249.05563	7.3
251.07121	1.3
261.05609	2.8
277.05029	25.6
278.05490	4.0
279.06653	29.6
280.06961	2.1
289.05106	21.7
290.05463	1.2
305.04608	3.5
307.06146	100.0
308.06415	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.09
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65281	0.4
56.96833	0.4
59.01380	6.0
61.98837	5.8
69.00939	0.4
69.69220	2.0
71.01393	2.7
74.06259	0.4
82.01731	0.8
82.21375	0.5
83.02515	0.7
83.04913	1.2
85.02975	1.1
85.04085	28.4
87.00890	4.0
89.02469	1.9
95.03378	0.4
97.53932	0.5
125.81268	0.4
127.02615	1.0
128.03458	0.6
129.04207	100.0
130.04614	1.0
134.03693	0.4
134.97073	0.8
135.04472	0.4
136.96797	1.8
142.19040	0.4
142.77161	0.5
145.03645	0.8
161.02397	0.6
162.96553	0.6
163.98787	0.5
164.96300	3.4
178.97841	0.6
185.03981	0.5
218.18567	0.5
233.04698	0.7
281.67276	0.5
307.00259	0.7
307.04984	0.9
307.08963	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	307.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96719	0.6
70.48296	0.9
74.99080	6.2
78.52945	0.3
91.02225	1.9
93.00147	2.2
135.29376	0.4
149.00998	2.8
157.09572	0.3
159.08484	5.8
161.06398	1.9
192.98094	0.6
206.99652	1.4
209.01375	2.6
217.07188	0.7
223.02855	53.0
224.02925	3.5
230.34607	0.4
241.03958	0.7
275.05981	0.5
289.07727	2.1
291.09140	100.0
292.09222	9.3
307.06046	1.0
307.12213	2.0
309.10190	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	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96717	0.5
60.97503	0.3
68.69254	0.2
74.99078	6.8
91.02217	2.9
93.00140	2.8
98.21903	0.8
100.86196	0.2
134.18570	0.2
143.05376	0.4
147.59093	0.2
149.00970	2.9
150.00914	0.3
159.08485	6.9
160.08681	0.4
161.06412	1.9
171.70872	0.2
192.98160	0.9
206.99675	1.9
209.01276	2.6
210.01350	0.3
217.07320	0.8
223.02852	51.9
224.02901	3.1
225.00691	0.2
233.04501	0.4
241.03882	0.9
275.05963	0.4
289.07626	2.0
290.07751	0.3
291.09128	100.0
292.09253	9.5
307.12210	2.3
307.15378	0.4
309.10138	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	307.1401
Annotation	NSC-224070
Peak:m/z	Relative Intensity
54.73028	0.5
55.01883	1.2
57.03454	1.3
58.00613	0.7
59.01387	53.8
60.01733	0.6
60.77087	0.5
65.00330	0.7
68.99830	0.6
70.41299	0.9
71.01391	24.0
71.01792	1.1
72.99315	6.4
73.02969	3.2
74.26727	0.4
81.03468	0.4
83.01389	1.8
85.02959	6.3
86.66936	0.4
87.00877	2.6
88.04052	0.7
89.02460	20.9
95.01381	2.5
99.00848	0.7
99.08165	3.2
101.02454	17.3
108.02189	0.6
111.00907	0.5
112.73055	0.5
112.98831	0.6
113.02465	8.8
115.00445	0.5
117.03440	0.5
119.03518	9.0
119.05022	1.0
127.07667	7.6
132.02162	1.0
132.03038	3.7
133.02986	1.0
134.03758	9.4
135.04530	2.0
136.01703	0.5
145.03023	1.1
145.06615	1.8
145.08727	14.0
148.05261	0.8
149.06094	3.2
151.04066	0.8
158.03714	1.1
159.04530	1.8
160.01689	4.6
161.02464	9.3
162.03258	13.9
163.03902	0.7
173.02452	1.1
173.06119	1.3
174.03252	1.0
175.04027	7.3
176.04790	2.0
177.05627	5.7
178.02682	0.9
179.05650	0.6
185.02512	0.7
186.03253	1.4
187.03943	0.6
189.01996	0.5
190.02753	9.2
191.07205	1.2
193.05058	1.0
202.02734	4.2
205.05086	8.0
206.05534	0.5
217.05101	1.1
218.02225	2.0
219.02823	0.6
230.02261	3.4
233.04575	36.8
234.04935	2.1
245.04517	3.7
263.05649	1.5
289.03644	3.1
289.12939	1.2
307.04669	27.3
307.14023	100.0
308.04877	1.5
308.14365	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	307.1403
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01867	1.0
59.01386	48.2
69.03459	2.0
69.41476	0.9
71.01391	19.8
71.27290	1.0
71.42609	1.4
72.99290	1.7
73.02972	1.9
83.01408	2.4
85.02969	5.1
87.00874	1.7
89.02455	21.2
93.03461	0.8
95.01398	2.0
97.94667	2.7
99.08167	20.8
99.92603	23.0
100.92651	1.1
100.93330	1.1
101.02457	15.7
111.87276	0.8
113.02467	7.4
114.07497	0.9
115.92096	1.9
119.03527	8.1
121.02984	1.0
122.71304	0.9
125.28441	0.8
125.94167	2.1
127.07700	3.2
129.09254	2.4
135.04462	1.5
141.09242	2.2
145.08727	65.4
146.09062	1.6
148.56445	0.9
169.93144	20.2
170.93076	1.2
175.11250	0.9
179.05676	2.0
187.09743	2.7
193.96758	1.2
204.65390	0.9
205.05165	0.9
219.10313	1.3
220.95435	1.3
233.04637	1.2
263.09189	1.3
263.12939	1.1
306.95612	5.2
307.08276	2.5
307.14056	100.0
307.95575	1.3
308.14355	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	307.1917
Annotation	(10E,12E)-9,14-Dioxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
54.87814	1.0
57.03445	7.3
57.61939	1.0
59.01376	4.7
69.55184	4.2
71.04998	1.0
80.02669	1.9
81.03458	2.0
83.05039	2.5
95.05045	3.1
97.06592	7.9
99.08166	26.8
104.22567	1.2
109.06602	12.5
123.08136	3.3
125.09736	31.8
137.09738	91.5
138.10052	3.1
139.11292	1.9
156.17476	1.1
163.11284	9.1
179.14461	10.2
183.10347	1.4
185.11819	11.7
207.10245	10.4
221.19121	1.7
223.13411	100.0
224.13728	4.8
230.81618	1.1
255.79260	1.2
265.18100	28.1
266.18445	1.6
289.18185	2.1
307.09671	2.0
307.19171	57.2
308.19540	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87550	0.9
57.03441	4.4
59.01385	5.6
61.46307	0.8
62.08560	0.9
63.26360	0.8
67.01884	1.7
69.03456	2.3
80.02682	2.6
81.03452	5.4
83.01410	5.7
83.05032	3.9
93.03443	1.2
95.05032	4.2
97.02944	6.1
97.06593	10.0
98.21907	3.5
100.98231	0.8
103.24025	1.0
105.88109	1.0
106.04281	1.8
109.06630	3.1
110.03782	1.9
111.08146	1.3
119.05030	1.0
119.08652	1.3
121.06612	3.0
123.03730	1.2
123.04539	9.6
123.08186	3.9
125.06124	2.0
125.09736	14.6
135.04575	1.4
135.08171	3.0
137.06111	1.4
137.09734	12.6
141.12880	3.5
142.02711	1.1
149.06111	3.8
149.09755	1.5
151.11296	1.1
161.09709	1.8
162.03146	1.2
162.10501	1.6
163.07671	2.3
163.11308	18.8
164.08415	1.5
165.09230	1.1
165.12852	3.8
167.10779	1.3
171.10297	2.3
173.09586	1.2
175.11334	1.3
177.12898	1.7
179.10796	1.4
181.12317	3.2
185.11835	24.2
189.12718	1.1
191.10820	2.1
191.14421	19.1
192.14728	1.4
207.10298	11.0
209.11847	29.1
211.13405	1.7
217.16019	2.9
225.11308	11.2
226.12114	1.8
233.04463	1.6
242.94885	1.0
245.16556	2.1
245.19113	39.3
246.19464	3.6
247.17012	1.3
251.12965	1.2
263.20087	1.1
271.17111	5.7
289.18112	100.0
290.18381	8.7
307.19168	56.8
307.22751	2.3
308.19492	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90287	5.6
57.03426	5.8
59.01398	6.7
61.98837	6.6
64.75170	6.0
64.79525	6.0
97.06622	9.7
99.08160	18.5
109.06582	12.3
125.09760	35.8
137.09746	100.0
146.09067	4.9
163.11273	7.0
179.14441	7.9
185.11877	16.0
199.07170	5.4
207.10281	8.3
223.13397	96.5
265.18069	27.4
273.87259	5.7
307.19153	78.0
308.19510	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01449	3.9
57.03439	13.2
59.01374	14.3
60.69941	3.9
61.98826	4.5
63.97318	4.9
68.62573	4.6
71.01389	8.8
79.95750	5.7
81.03419	4.5
92.20791	4.0
97.06602	18.9
98.22636	9.9
100.94743	4.4
104.90430	4.5
106.04245	4.6
109.06570	6.1
111.08162	11.0
121.06600	16.7
123.08193	6.4
123.57480	4.2
125.09724	16.6
127.11288	4.9
130.95090	4.0
135.08214	10.9
137.09622	5.8
141.12737	3.6
151.11299	24.1
153.09213	16.2
153.12950	5.2
155.10774	13.6
160.18103	4.8
165.12871	25.8
167.10751	8.1
171.10292	46.3
177.12897	4.5
179.14313	4.9
181.12343	29.0
184.28271	4.1
185.11855	63.8
191.10770	13.6
191.14392	13.4
209.11833	41.2
211.13402	10.3
233.04623	5.9
245.19109	40.3
246.19446	4.9
261.18661	8.1
263.20227	11.4
271.16943	6.5
279.19614	12.4
289.18170	45.8
307.19156	100.0
308.19223	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
71.05015	5.6
71.41216	1.1
81.03464	2.5
83.05040	1.2
95.05019	2.6
98.03717	1.0
106.04227	1.2
109.06610	16.8
111.04548	6.0
111.08176	2.1
112.05330	1.1
123.04567	1.1
123.08177	2.4
127.07684	4.9
138.99463	1.1
143.10799	1.9
145.06566	2.4
145.61079	1.1
149.09726	1.6
151.11281	1.0
161.02431	1.2
162.03273	1.6
167.10831	2.1
178.92059	1.1
179.10818	1.8
195.13910	3.4
201.30351	1.0
233.04628	3.9
235.13385	1.8
245.19106	6.0
251.16518	1.7
271.17041	1.5
287.16666	1.4
289.18137	100.0
290.18500	7.6
296.02127	1.1
307.04663	2.7
307.15839	1.8
307.19128	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74237	1.8
57.03453	10.7
58.45925	1.6
59.01366	3.6
69.65052	4.0
69.65408	3.6
71.05011	2.9
81.03474	2.6
83.05035	6.9
95.05056	3.7
97.06593	7.3
99.07561	2.7
99.08170	34.9
109.06590	11.9
121.10194	2.8
123.08149	2.3
125.08827	2.0
125.09740	35.3
137.09738	100.0
138.10100	3.4
139.11256	1.9
155.94890	1.7
163.11284	7.6
179.14430	8.8
183.18184	1.8
185.11856	16.7
207.10251	12.0
209.11906	2.2
223.13412	100.0
224.13901	4.1
263.16443	2.1
265.18069	36.6
307.15936	3.4
307.19144	66.0
308.19681	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.3
55.75710	3.4
65.03970	60.0
69.78997	5.6
71.05037	32.1
72.99298	3.6
87.58721	3.9
97.06599	66.1
98.22545	5.4
119.08669	14.8
121.06617	100.0
125.07013	4.1
125.09739	41.7
134.50020	4.1
137.09727	6.8
151.11227	4.3
176.52107	3.6
185.11858	77.4
209.11839	32.0
211.13350	29.7
235.07748	20.9
235.13412	90.6
236.13866	7.7
263.07175	18.9
289.18091	19.1
307.06070	8.3
307.19077	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.5
55.81714	4.6
57.03453	5.1
60.93727	4.2
65.03969	61.2
69.36135	23.0
71.05029	34.1
77.31871	4.3
97.06605	63.8
119.08662	9.2
121.06617	100.0
125.09753	47.8
137.09766	5.8
159.71024	5.2
185.11848	94.6
192.88724	4.4
209.11827	40.7
211.13353	33.9
228.85191	5.2
235.13397	99.6
236.13864	5.4
246.88545	4.8
278.64835	5.1
289.18130	20.5
307.19250	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	308.1872
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
58.02972	1.1
59.01390	0.7
72.53101	0.5
72.88021	0.6
78.49839	0.5
80.96523	1.0
97.06630	0.6
108.84229	0.6
114.09266	5.6
116.07195	100.0
117.07556	1.5
124.63267	0.6
165.12831	0.8
207.12964	0.7
219.72766	0.6
237.05591	1.8
308.18729	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92590	1.3
69.26343	3.8
69.26747	2.4
69.59055	1.1
71.01384	2.8
81.76955	1.2
104.67226	1.3
109.02912	1.5
117.03431	1.8
133.02942	3.0
134.03754	10.6
145.02951	2.7
153.07135	1.5
161.02344	1.5
167.05003	2.5
169.06584	7.3
172.01674	1.3
173.02473	2.0
179.05087	2.8
180.05830	4.6
181.06593	6.0
182.03763	2.1
183.04575	2.0
191.05049	2.9
193.05080	8.8
193.06610	1.9
195.04541	4.2
196.05365	9.0
197.06097	20.6
198.06610	1.2
200.01134	1.4
207.04553	7.0
208.05284	12.1
209.06104	25.6
210.03294	2.7
210.06482	1.4
211.04010	3.5
219.04572	4.0
220.05319	3.2
221.06073	1.4
223.04051	4.4
224.04805	29.1
225.05591	34.5
225.07764	2.5
226.02786	1.3
226.05835	1.5
227.03490	1.6
235.04016	54.1
236.04718	8.1
237.05598	36.1
237.17204	1.2
238.02863	1.4
238.05782	2.3
239.03452	2.4
240.04501	1.4
247.04056	4.2
248.04854	4.9
251.03517	8.0
252.04301	17.4
253.05086	75.2
254.05400	3.7
263.03549	15.1
264.04214	8.8
265.05084	26.8
266.02301	2.0
266.05316	1.9
279.03055	5.2
280.03845	10.4
281.04587	75.7
282.05057	5.5
291.03030	100.0
292.03528	11.0
298.06241	1.3
308.03397	2.0
309.04089	93.1
310.04398	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0407
Annotation	Sterigmatin
Peak:m/z	Relative Intensity
55.62224	1.2
56.64151	1.3
57.33335	1.2
59.83061	1.2
62.12928	1.2
62.88639	1.2
69.46051	4.2
79.10865	1.4
82.81463	1.4
91.05573	1.1
134.03755	1.9
141.07127	1.5
145.02979	2.6
149.99722	1.3
151.79861	1.3
161.02510	2.2
163.04082	1.3
169.06625	6.9
174.03189	1.3
179.05005	2.7
180.05827	4.8
181.06602	5.9
182.03697	2.1
183.04576	3.0
191.05054	2.5
193.05002	1.3
193.06616	1.8
195.04570	3.8
196.05289	7.8
197.06107	20.3
200.01166	1.6
207.04543	7.2
208.05264	10.5
209.06078	28.5
210.03236	1.6
210.06534	2.4
211.03999	4.6
219.04486	2.4
220.05212	2.0
223.04031	3.6
224.04797	27.3
225.05582	33.6
233.73508	1.5
235.04008	49.0
236.04762	12.1
237.05580	35.2
238.02859	1.3
238.05984	2.0
247.04048	3.3
248.04831	2.8
251.03574	6.1
252.04318	17.2
253.05074	81.6
254.05493	5.6
263.03540	15.8
264.04254	9.4
265.05072	26.0
266.05402	1.6
279.03000	3.8
280.03757	10.6
281.04578	80.8
282.05002	6.4
291.03024	100.0
292.03528	11.8
308.03308	2.0
309.04086	77.1
310.04391	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	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.4
69.03474	1.0
69.63468	2.0
71.01390	5.4
73.02955	2.4
83.01427	1.1
85.02971	1.6
87.00897	1.0
89.02474	3.2
89.04006	3.4
95.01444	1.5
95.05035	0.9
98.98224	0.8
101.02477	2.0
103.05581	1.0
105.03459	4.7
107.05074	1.5
109.03013	1.0
111.00949	1.4
117.03530	1.1
119.03543	1.2
119.05057	2.2
121.03048	1.4
123.00914	4.6
124.01678	10.1
124.02348	0.8
125.02503	4.9
131.05080	3.0
133.02966	22.1
133.06660	3.4
135.04543	5.1
137.02455	10.3
143.05042	2.0
145.03035	2.4
146.03801	3.3
147.04543	4.6
149.02518	4.9
149.06142	2.1
151.04117	2.3
158.03789	1.6
159.04553	10.3
161.02446	4.6
161.06107	8.7
162.03273	4.9
163.04013	6.4
164.01227	2.8
169.06641	1.1
173.02530	1.8
174.03230	5.7
175.04022	33.3
175.05443	1.8
176.04752	4.6
177.01956	42.9
177.05573	28.8
177.07062	1.4
178.02386	1.2
181.06551	1.1
187.04019	17.6
188.04796	2.6
189.05637	3.7
190.02744	11.0
191.03571	3.6
193.05130	5.3
197.06136	2.2
199.04135	3.9
203.03705	1.9
205.05084	32.3
205.07007	1.6
206.05437	1.3
208.03709	1.6
208.05450	1.5
209.06213	3.8
217.05165	2.8
219.02980	22.7
220.03482	1.3
224.04829	4.4
225.05705	4.0
229.05214	3.7
231.03069	1.1
235.04018	7.2
236.04750	1.5
237.05687	6.0
247.02618	3.1
247.06375	1.2
249.04036	1.1
251.03577	2.1
252.04384	3.0
253.05110	10.7
263.03473	2.2
264.04379	2.0
265.04980	2.3
265.07343	13.0
279.03131	1.2
280.03839	1.9
281.04575	12.7
281.07251	1.2
291.03107	9.8
291.06039	6.2
292.03506	1.3
309.06348	100.0
309.12140	3.2
310.06790	5.3
313.89810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.0
59.01374	1.1
80.96523	5.1
98.22661	1.5
126.27571	0.4
165.07077	1.6
171.10211	0.4
193.10239	12.7
194.10597	1.0
196.05077	0.4
197.06171	0.9
207.08281	0.5
209.06128	1.4
211.07661	1.0
221.09740	100.0
222.10059	7.0
235.07658	1.5
237.05513	1.0
237.09241	0.7
238.06406	2.2
238.51462	0.4
239.07118	1.8
249.11333	1.2
263.07117	0.9
265.05954	0.6
265.08704	4.3
266.05878	3.2
266.08832	0.6
267.06519	0.7
280.07346	1.1
281.08206	5.5
309.04236	1.0
309.07654	10.5
309.11102	0.6
310.07883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62138	0.3
55.01897	0.7
61.97624	0.4
70.63726	0.6
93.17764	0.3
96.96043	1.1
143.62389	0.4
153.07130	0.3
165.07065	0.9
185.11894	0.5
191.08572	0.4
193.10275	1.1
209.06061	0.6
211.07664	0.4
221.06149	5.1
221.09702	0.8
222.06821	1.0
223.18564	0.4
235.07700	3.2
236.08299	0.6
237.09248	48.9
238.09584	3.3
249.05527	0.6
251.16592	0.3
263.07178	0.5
264.07977	1.1
265.08728	100.0
266.09061	9.4
291.19669	1.9
309.04373	0.7
309.07712	3.2
309.11353	0.8
309.17303	1.2
309.20770	1.5
310.08112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
69.61343	1.6
78.54907	0.4
89.30211	0.4
91.17150	0.4
95.63995	0.5
99.00900	0.8
113.88328	0.4
116.71032	0.4
154.61450	0.4
177.07101	1.5
191.08653	3.2
192.09390	0.6
193.10239	0.8
207.08003	0.5
209.06108	2.6
220.09030	1.0
221.06148	1.5
221.09706	1.1
222.06911	4.4
235.07677	2.7
236.08380	1.2
237.09232	24.8
238.09653	2.2
249.05615	0.8
250.06424	1.8
253.12350	1.2
263.07141	3.5
264.07907	10.6
265.08716	100.0
266.09061	7.4
277.08765	0.8
279.10327	1.1
281.11896	1.5
309.07712	1.8
309.11325	6.8
309.17136	0.7
310.12003	2.3
324.24136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0772
Annotation	Ocophyllal A
Peak:m/z	Relative Intensity
59.01377	1.5
60.41826	0.7
63.06905	0.7
69.88299	0.7
70.95918	1.4
73.00021	0.8
76.41504	0.9
80.96523	1.0
87.00879	1.5
106.54554	1.0
117.31735	0.7
141.07146	1.9
165.07112	10.6
169.06635	1.9
193.06668	3.9
197.06075	6.6
200.11295	0.9
207.08174	8.4
209.06126	16.5
210.06351	1.0
210.53546	0.9
211.07684	13.7
221.06055	2.0
222.06865	1.9
235.07642	18.2
236.07831	1.0
237.05592	11.5
237.09236	3.0
238.06380	29.3
239.07132	18.2
240.07578	1.1
247.07674	3.5
252.07924	1.6
253.08768	1.8
263.07086	3.5
264.07718	1.7
265.05038	5.3
265.08316	1.6
266.05869	41.9
267.06406	5.9
279.06674	1.7
280.07480	1.4
281.08212	67.5
282.08466	5.4
291.06647	2.2
309.07715	100.0
310.08142	8.5
332.81799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.59811	0.2
70.17657	0.2
75.30121	0.2
86.45884	0.2
94.71720	0.2
96.70721	0.2
98.21786	0.4
106.18533	0.2
113.95223	0.2
152.08432	0.5
167.48668	0.2
181.06581	0.2
209.15526	0.6
221.09752	0.3
237.09207	0.5
239.03520	0.3
249.09235	0.6
251.07280	0.2
257.97281	0.2
263.10910	0.4
264.04349	0.4
265.05032	0.6
265.08789	0.6
276.07959	0.4
278.05869	0.9
279.06659	17.6
280.07001	1.1
281.11893	0.7
292.07571	0.3
293.08231	13.6
294.08990	8.9
295.09424	0.3
301.00555	0.2
308.10623	0.9
309.11359	100.0
310.11725	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1134
Annotation	Porphyrin
Peak:m/z	Relative Intensity
64.20837	0.2
69.69977	0.6
69.70306	0.2
74.07410	0.2
85.25555	0.2
93.40192	0.3
96.96062	0.2
97.06600	0.2
98.94756	0.2
116.22402	0.3
116.29267	0.2
116.92920	0.2
119.62736	0.2
134.06096	0.2
151.04005	0.6
151.07645	0.6
152.08470	1.7
202.69710	0.2
209.11931	0.2
209.15454	2.2
221.09842	0.3
228.04271	0.7
237.09169	0.6
238.10107	0.4
239.03600	0.8
240.04172	0.2
247.20691	0.5
251.07085	0.3
252.10040	0.5
253.12408	2.4
264.04266	0.8
265.08661	1.2
265.18054	0.3
266.09473	0.5
277.04803	0.3
278.05850	1.3
279.06638	7.7
280.06958	0.6
281.11774	2.6
291.10339	0.5
291.19724	1.6
292.07584	1.2
293.08224	13.3
294.05652	0.6
294.08966	14.4
295.09348	1.0
309.11328	100.0
309.17123	2.8
309.20734	2.0
310.11673	8.2
310.17136	0.3
315.72696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1196
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.04658	1.2
51.16337	1.2
51.52443	1.1
53.10565	1.1
59.01387	100.0
60.01713	2.2
70.72297	2.0
71.01389	49.2
72.99314	3.6
73.02937	3.7
83.01402	2.7
85.02958	9.8
87.00885	1.6
89.02454	50.6
95.01393	4.5
101.02453	30.0
113.02465	17.2
115.96156	1.2
119.03516	23.2
119.85809	1.1
120.77917	1.1
123.00893	1.7
124.01687	2.8
131.03503	1.5
133.02985	8.4
135.04552	2.0
137.02419	1.7
138.44319	1.3
143.03481	2.5
147.06659	2.2
149.02477	2.1
161.04572	3.3
163.03986	2.0
175.04028	4.9
177.01988	8.4
177.05579	3.8
178.02289	1.3
179.05606	2.2
187.04042	4.2
190.02863	1.5
191.03627	1.9
205.05095	4.9
209.06117	1.6
219.02957	3.7
224.04703	1.7
225.05772	1.5
237.05501	1.8
253.05049	2.5
265.07318	2.3
281.04462	3.4
291.03024	3.9
292.86710	1.3
309.06186	13.0
309.11948	97.2
310.12329	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01388	39.8
71.43597	2.2
73.02956	2.8
83.01398	3.1
85.02959	6.9
87.00883	2.9
89.02455	50.5
91.80922	2.0
95.01395	4.8
95.78410	2.3
101.02450	30.8
105.03532	3.4
113.02477	14.5
119.03506	23.9
124.01720	2.6
131.03520	3.3
132.24220	2.0
132.51086	2.0
133.02988	12.6
135.04547	3.8
137.75456	1.9
143.03513	2.6
147.06696	2.3
149.04556	2.2
159.04462	2.7
163.04124	3.4
171.09477	2.5
175.04013	4.8
177.01985	9.0
177.05496	3.5
179.05630	3.6
187.04115	5.3
191.03447	2.2
194.46919	2.0
197.06026	2.3
205.05096	6.7
206.02261	3.1
219.02870	6.3
225.05659	2.6
235.22606	2.0
237.05556	3.4
252.04222	2.9
253.05136	6.4
265.04874	2.5
281.04578	6.1
291.02994	3.7
309.03369	3.9
309.06192	9.8
309.11935	79.5
310.12411	3.5
333.13492	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	309.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78851	2.5
55.01873	3.7
59.01367	3.1
70.28287	5.9
77.96446	2.1
81.35357	2.6
85.03931	2.3
88.96493	3.6
95.01395	12.6
96.96033	3.6
98.21960	2.9
99.00891	100.0
110.03739	3.1
117.01964	5.9
137.06100	8.1
151.07651	6.5
152.08438	12.1
167.10780	14.6
184.07372	3.2
190.10054	4.5
207.13919	3.1
208.11044	8.1
209.15475	43.9
221.19183	4.0
247.16994	4.8
265.08621	3.8
265.18118	12.8
309.11441	5.2
309.17172	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.5
69.51122	1.0
74.56859	0.3
74.80198	0.3
78.04926	0.4
79.95743	10.8
80.96522	0.5
92.92814	1.2
94.98094	0.7
95.95241	2.3
96.96022	96.0
110.09341	0.3
116.92828	0.4
119.94764	0.6
122.97623	3.4
126.01945	0.3
138.97069	0.4
140.98730	0.4
150.79813	0.4
151.04068	0.8
151.07707	0.8
152.08434	2.2
177.38605	0.4
179.11784	0.3
209.15512	2.4
221.89737	0.4
252.10051	0.5
253.12274	0.6
265.08759	0.5
265.18039	0.4
267.06921	0.3
281.11813	1.7
309.11444	4.2
309.17429	100.0
310.17749	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
59.01390	1.5
69.03448	1.3
69.19320	5.5
81.03485	0.9
83.05037	1.5
84.42486	0.9
92.54784	0.8
93.85952	1.0
95.01417	2.2
97.02958	4.0
99.00892	8.2
102.60741	0.8
106.04289	1.0
109.06613	1.0
111.00899	0.9
111.08180	5.2
119.08665	2.9
123.00913	1.0
123.04526	2.0
127.07706	1.1
137.06107	1.6
137.09721	3.2
149.09682	1.3
151.04022	25.2
151.07661	14.2
151.11273	0.9
152.08441	72.8
152.89565	0.9
153.08934	3.4
162.10539	1.4
163.11324	2.1
164.60109	0.8
165.12872	2.4
167.10757	1.5
171.10266	11.7
175.07556	1.2
179.14548	1.3
180.08000	1.1
181.12405	1.9
184.07451	3.5
185.11853	2.3
190.10034	3.4
193.08640	4.2
193.16125	1.1
195.10152	1.0
195.14053	1.3
197.11858	12.5
208.11081	6.9
209.15477	63.1
210.15833	4.0
211.13358	2.1
223.13235	1.2
247.17055	2.8
247.20699	2.4
252.10037	12.2
265.18134	13.8
266.18341	1.3
273.18668	2.3
291.16080	4.0
291.19669	40.9
292.20026	4.0
296.89581	0.8
309.17075	100.0
309.20737	44.5
310.17438	8.1
310.21124	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
57.03453	1.4
59.01366	1.2
63.26273	1.1
69.03462	1.6
71.01417	1.1
71.04469	1.3
71.08165	1.0
83.05032	1.6
84.33778	1.2
108.52932	1.0
109.26987	1.1
111.08173	37.3
151.04034	1.5
151.07602	1.1
152.08418	3.9
153.12868	1.3
159.35193	1.2
169.12337	6.4
181.12424	1.6
183.13928	1.3
185.11844	1.3
197.11847	100.0
198.12198	5.8
199.13440	5.1
209.11842	1.4
209.15477	4.4
211.10196	1.1
211.13426	10.5
227.12933	2.4
251.16368	1.2
263.20151	5.0
265.18069	3.7
273.18610	2.2
291.19696	22.6
292.20029	2.6
309.17078	5.1
309.20673	36.2
310.21063	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85374	0.9
54.47319	0.9
57.03439	1.5
58.00584	1.1
59.01373	2.8
69.03467	2.2
69.49599	4.6
73.02959	1.1
80.89919	1.1
83.05015	1.1
91.46155	0.8
98.22631	1.1
101.85624	1.2
109.06608	1.8
111.08173	29.9
116.92923	1.1
119.08688	1.4
125.09765	2.0
127.07645	2.8
137.09723	2.8
151.04021	1.6
151.11310	1.7
152.08424	6.0
153.12904	1.8
167.10783	1.1
169.12366	6.1
171.10301	6.5
175.36246	1.0
181.12399	2.3
183.13974	1.8
185.11874	1.5
197.11847	100.0
198.12160	4.4
199.13399	3.8
201.11279	1.4
209.15550	5.7
211.13396	10.8
215.91997	1.0
227.12892	2.6
230.11526	1.0
263.20151	6.3
265.18057	5.3
271.54684	1.1
273.18634	2.4
291.19635	19.0
292.20013	1.3
309.17084	8.2
309.20688	35.9
310.21021	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
59.01377	1.6
61.98831	1.0
64.48907	0.5
65.85464	0.5
69.82863	1.6
71.01385	0.7
83.05032	1.1
85.02901	0.5
96.96029	0.7
97.06622	0.5
109.06600	1.2
111.08203	2.5
116.92853	0.5
123.08195	0.9
125.09724	1.8
125.11473	0.5
127.07644	0.5
127.11299	3.0
129.09212	0.8
137.09750	1.1
139.11298	0.5
141.89058	0.5
151.04013	1.3
151.07660	1.2
151.11282	1.2
152.08417	4.0
152.91833	0.5
153.12881	5.0
155.10770	1.6
162.10533	0.7
167.10779	2.1
167.14479	0.6
169.12404	1.1
171.10320	0.7
171.73730	0.5
179.10820	0.9
179.14465	2.4
181.12323	3.5
193.15982	1.2
197.11850	4.1
198.12320	0.5
199.13411	1.7
200.10526	0.7
207.13853	2.1
209.15475	4.9
215.12865	2.3
219.17522	0.8
226.12134	1.1
227.12839	1.2
228.13577	1.3
247.20723	5.8
252.10088	0.7
263.20169	1.1
265.18134	1.5
265.21774	1.4
273.18652	2.8
281.21271	1.4
291.19693	39.7
292.20056	3.0
309.17279	6.6
309.20718	100.0
310.17563	0.6
310.21057	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.37408	0.3
54.65984	0.4
57.03460	0.7
61.05878	0.4
61.10626	0.4
69.17489	2.4
71.01403	0.5
83.05024	0.8
88.04613	0.4
97.06586	1.3
99.00834	0.4
111.08216	0.6
125.09739	0.7
127.11337	0.5
151.04037	0.6
151.07661	0.5
151.11354	0.4
152.08435	1.5
169.12370	0.6
179.14435	1.1
179.97379	0.5
195.13896	0.6
209.15515	1.7
232.55678	0.4
247.20677	7.7
247.23030	0.7
248.20927	1.1
252.09995	0.4
263.20151	1.6
265.21738	21.7
266.22153	1.8
273.18585	1.3
291.19699	25.2
292.20065	2.5
309.20724	100.0
310.21063	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	309.2072
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.13114	1.1
53.42935	1.0
57.03218	1.1
57.03453	14.1
59.01368	4.0
69.03442	3.0
69.79691	1.1
70.63187	1.3
71.05011	2.4
80.02697	1.8
83.05027	9.5
97.02959	2.7
97.06593	2.1
98.19113	1.0
98.96239	1.0
99.00826	1.1
99.08164	62.8
100.08537	1.5
119.08688	5.7
121.10231	7.5
124.07640	1.2
125.09750	9.8
133.88274	1.0
135.08148	2.0
137.09717	11.6
139.11284	2.5
141.12868	3.0
155.10674	1.8
163.11249	4.2
165.12863	2.8
171.10277	35.5
172.10583	2.1
179.10837	1.2
183.10252	3.5
185.11845	78.2
186.12125	3.8
200.97607	1.3
201.11319	4.8
207.13872	5.9
209.11844	100.0
210.12099	5.1
213.11304	3.2
216.65375	1.1
273.18481	1.5
291.19702	27.6
292.19870	2.9
309.17261	2.8
309.20721	43.4
310.21103	2.7
310.66806	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03438	2.0
60.12249	2.0
61.98828	2.1
67.01865	2.7
68.75854	1.7
70.96241	2.9
78.49563	2.0
93.07098	1.7
93.28141	1.8
97.02991	2.7
115.18174	1.7
121.10249	12.9
125.09760	9.1
132.04785	1.6
137.09715	3.5
143.01312	1.9
146.65981	1.6
171.10300	5.3
185.11867	11.2
197.11864	3.6
209.11931	2.4
211.13411	63.8
212.13756	4.1
275.54010	1.8
281.00925	5.6
291.19693	100.0
292.20029	8.3
309.20621	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	309.2076
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.40910	2.0
58.30730	2.1
59.01384	6.2
69.03476	3.9
71.05019	6.6
72.63726	2.3
79.74509	1.9
83.05066	3.0
87.58241	1.9
95.05019	2.3
97.06596	2.9
107.08686	12.0
119.08646	3.4
125.09714	4.4
127.79879	2.0
137.09755	10.0
155.10823	3.6
161.02470	2.9
171.10284	48.1
183.10312	30.2
185.11848	7.0
197.11783	5.7
201.58954	2.2
207.13705	2.5
211.13452	2.4
221.15475	30.7
229.19585	3.8
239.16582	41.8
251.16579	15.5
273.18613	12.7
275.60779	2.1
281.00992	3.7
282.31912	2.3
291.19705	57.6
292.20096	4.4
309.03986	2.3
309.17334	4.2
309.20740	100.0
310.21194	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	309.2077
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.17433	3.3
57.03462	6.2
57.52373	3.4
59.01377	5.1
61.98827	3.4
69.23373	13.2
69.23778	8.8
107.08685	5.2
121.10256	5.0
125.09753	9.5
183.10280	27.3
185.11830	15.9
200.30022	4.0
237.89653	4.5
251.16588	28.3
273.18787	4.6
273.28229	4.2
291.19690	52.8
308.75284	3.5
309.03979	3.4
309.17389	8.9
309.20752	100.0
310.21179	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.53492	1.4
57.03458	2.2
57.48635	1.5
59.01387	7.5
60.17766	1.4
69.03477	4.0
70.91752	2.0
82.72150	1.4
83.05030	2.8
85.21815	1.4
92.92829	1.5
93.03454	1.7
95.17976	1.3
97.02968	4.0
98.21913	1.6
99.00916	4.2
101.06086	5.2
106.04243	1.7
107.08683	2.4
115.07689	3.9
119.08688	15.1
121.91489	1.6
123.00896	1.8
123.08160	2.1
125.09727	7.3
127.11291	3.0
135.08170	2.9
137.09750	33.7
139.11313	2.1
151.04025	11.8
151.07645	11.9
151.11232	2.6
152.08452	36.7
153.09212	2.7
155.10820	4.7
157.12402	1.5
162.10539	12.4
163.11232	2.7
167.10777	8.2
171.10287	100.0
172.10629	3.8
175.07599	1.9
179.07278	2.1
179.10814	2.7
180.07889	3.6
183.10260	6.1
183.13858	8.8
184.07344	2.1
185.11844	23.4
190.10040	5.6
193.08791	5.6
201.11292	7.2
208.11063	7.7
209.15477	37.7
210.15800	3.9
211.13417	1.5
213.11374	6.6
219.17589	14.5
237.14999	1.6
247.17107	4.9
247.20641	1.8
252.10109	7.2
264.45737	1.6
265.18082	9.7
265.21362	2.6
273.18591	8.1
281.17688	8.8
291.16107	4.0
291.19641	31.4
309.17078	81.0
309.20761	34.3
310.17429	5.7
310.21133	4.2
334.22272	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2077
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03441	5.6
59.01362	5.4
61.98824	6.3
64.23716	4.2
71.19676	5.2
80.02685	5.0
83.05024	20.8
84.02167	7.9
92.92796	5.6
96.96035	7.1
99.00888	5.5
99.08178	7.3
125.09750	6.5
137.09734	36.3
138.19452	4.5
139.11279	5.4
151.04033	10.2
151.07626	8.2
152.08484	24.8
152.91772	6.7
153.09293	5.1
155.10808	45.0
171.10330	40.9
193.12315	18.7
209.11794	14.2
209.15459	25.6
252.09975	5.7
265.21741	5.0
279.25208	6.1
291.19693	66.2
292.20209	4.9
309.14560	3.9
309.17059	53.0
309.20743	100.0
310.17670	6.0
310.21103	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	310.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11154	1.3
59.01384	57.9
59.69140	1.4
71.01385	30.7
71.25447	2.2
73.02937	3.6
75.00867	3.4
83.01424	3.1
83.76363	1.8
85.02948	7.8
86.82831	1.7
87.00877	3.3
89.02454	30.6
92.05070	6.7
95.01390	4.2
97.73328	1.4
99.00923	1.4
101.02468	18.7
109.02969	10.6
113.02464	9.5
114.87184	1.7
116.05051	4.2
118.02995	3.0
119.03536	11.1
120.04562	6.6
128.05128	1.6
131.03745	6.6
132.04581	18.0
133.02972	5.3
134.06134	3.3
144.04585	10.3
145.03000	3.1
146.01520	1.0
146.02493	35.2
147.03282	100.0
148.04059	19.9
149.00974	1.7
149.06105	2.1
153.72723	1.7
158.06114	4.8
160.04057	87.8
161.04445	4.8
162.05666	3.0
163.03993	2.8
172.04045	6.9
173.02441	4.5
174.03352	9.4
174.05627	16.9
176.07262	1.6
179.02257	3.9
179.05568	4.1
183.04466	4.3
186.05646	4.9
190.05153	3.8
196.05415	3.6
197.06093	3.3
199.04060	5.8
202.03290	1.3
202.05099	28.3
204.06673	1.6
208.05269	1.9
209.06055	5.6
210.06598	3.1
211.04082	11.3
211.07671	2.7
212.04773	2.4
213.05582	1.8
214.05167	9.0
220.05182	1.8
221.06219	1.6
224.04836	3.4
225.05495	5.8
226.02986	2.1
226.06017	5.5
227.03555	33.3
227.07030	2.2
228.04283	12.2
232.06151	2.3
235.03827	1.5
236.04485	5.3
237.05598	12.9
238.06139	6.4
239.03574	10.0
239.07158	4.1
240.04311	17.6
241.05019	5.7
248.04861	2.8
249.05551	5.9
253.04825	5.2
254.05634	14.9
255.06656	8.9
264.04138	2.6
265.05014	5.6
266.05573	5.5
267.03107	3.1
267.06635	13.4
281.04391	3.3
282.05017	11.9
283.06146	19.6
292.03314	8.1
293.04407	2.9
310.04593	14.4
310.09338	97.8
311.05649	96.2
311.09348	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	310.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01386	62.7
67.77306	1.7
70.72707	3.3
70.79959	1.6
71.01389	33.0
73.02950	4.8
75.00906	2.8
85.02974	7.3
87.00885	5.2
89.02459	34.7
89.03020	2.6
92.05061	10.0
101.02467	18.3
109.03001	4.8
113.02464	15.5
116.05043	1.7
118.03035	4.1
119.03512	14.7
120.04602	8.4
131.03728	9.9
132.04562	11.9
133.02977	2.6
134.06096	3.9
135.04533	2.5
136.01707	9.4
143.03503	2.9
144.04640	9.3
146.02501	46.0
146.06165	3.9
146.11235	1.8
147.03282	100.0
148.04080	18.8
149.00960	3.6
149.04482	2.9
158.06148	3.4
160.04060	97.2
161.04465	6.4
162.05585	1.7
163.04024	3.8
172.04088	7.0
174.05609	13.7
179.02269	7.7
179.03658	2.0
183.04553	4.9
185.06221	2.1
186.05612	5.1
190.05179	2.6
193.06380	1.9
197.06050	2.4
199.04027	4.8
202.05093	28.7
203.05270	2.1
209.06145	2.3
211.03998	14.4
211.07681	6.2
213.05643	4.5
214.05130	8.9
215.03564	2.4
222.06772	2.5
223.07690	6.4
224.04819	3.5
225.05490	1.9
227.03586	2.4
227.07097	2.0
231.95302	1.7
232.06108	3.0
237.05629	3.9
238.06178	2.1
239.03487	19.6
239.07254	6.6
240.04291	9.9
241.05110	5.1
242.02245	5.6
243.03035	7.4
250.06421	1.7
251.01170	1.8
254.05768	2.6
255.06676	13.3
265.05154	2.2
267.02948	6.8
267.06616	5.2
282.05115	3.8
283.06067	6.2
292.03183	1.9
293.04599	5.7
309.98035	1.9
310.09366	95.4
311.05621	63.5
311.09494	5.8
315.55371	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17624	0.9
68.74133	1.0
69.24277	5.4
93.03461	3.2
95.05045	1.0
109.02966	19.1
117.03455	1.8
121.02966	7.0
129.36725	1.1
133.02957	11.4
135.04532	3.3
139.04063	2.2
145.02960	3.9
147.00917	1.1
149.02452	30.5
150.02956	1.2
158.03786	2.3
159.04588	5.2
159.05614	0.9
161.02466	35.5
173.02452	1.7
174.03209	4.4
175.03957	1.3
179.03471	1.7
181.06528	1.0
183.04469	1.6
183.08200	1.6
192.85432	0.9
193.06609	3.8
193.10237	54.5
194.10530	3.5
195.04417	1.3
195.08098	1.2
196.05286	2.4
197.06091	3.5
201.01817	1.4
209.06145	6.4
210.06760	1.8
211.07657	9.3
221.06033	5.7
222.06795	4.7
223.04221	1.0
223.07512	2.2
223.11020	1.4
224.04799	3.3
225.05588	1.2
237.05579	7.7
237.09294	1.4
238.06348	6.9
239.07159	13.1
239.10785	3.2
249.05585	6.4
250.06352	17.5
251.06923	2.1
253.08894	1.7
255.06421	2.0
265.05072	4.5
266.05832	10.4
266.09421	2.5
267.06647	100.0
267.10071	7.9
268.07007	7.2
268.09705	1.0
269.11835	3.6
283.06155	8.5
296.10330	1.1
311.02039	3.2
311.05597	29.5
311.09247	6.4
311.12860	7.5
312.05774	2.9
312.09290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63265	0.8
65.00371	1.0
69.16288	6.7
77.03976	3.1
80.18510	1.2
81.88591	1.1
93.03474	5.7
95.01395	3.1
95.05014	2.8
105.03493	1.5
109.02969	16.5
110.54587	1.0
117.03471	1.5
121.02981	18.5
123.04488	1.6
132.02167	2.5
133.02969	16.3
135.04532	3.5
139.04039	1.2
145.02992	3.5
149.02461	100.0
150.02795	2.8
158.03758	1.4
159.04524	3.2
161.02464	43.8
162.02728	1.1
173.02461	3.6
174.03233	7.6
179.03577	2.3
181.06708	1.1
189.01994	1.6
193.06577	2.1
195.04573	1.2
195.11214	0.9
196.05336	2.1
197.06033	2.8
201.01965	2.9
202.02780	2.4
209.06046	3.6
211.07663	7.6
219.04431	1.1
220.05081	1.0
221.06036	4.9
222.06889	2.7
223.07214	1.1
224.04790	1.3
225.05516	1.5
237.05542	5.0
238.06326	5.1
239.07164	6.1
240.04253	1.3
248.04500	1.2
249.05550	5.6
250.06351	9.0
254.05965	2.4
255.06714	4.7
265.05106	3.7
265.16400	1.0
266.05875	5.6
267.06644	55.1
268.06961	3.0
281.04550	1.1
282.05237	1.7
283.06158	11.7
293.04587	1.1
311.05652	34.6
312.05981	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	311.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53916	0.9
70.74847	1.9
93.03469	2.7
97.60322	0.9
102.62843	0.9
109.02963	12.1
121.03000	6.3
133.02997	10.4
135.04561	2.2
139.04027	1.6
145.02956	3.2
149.02469	27.4
150.02904	1.1
158.03751	0.9
159.04559	4.1
161.02477	31.1
173.02478	1.4
174.03255	3.7
179.03571	1.3
183.04588	0.9
193.06615	2.7
193.10175	1.6
196.05310	2.9
197.06094	3.2
202.02684	1.4
209.06067	4.2
210.06863	1.8
211.07689	9.3
212.08104	1.6
220.05339	1.4
221.06096	3.6
222.06859	4.1
223.07597	1.9
224.04791	2.9
227.07317	1.1
237.05635	6.5
238.06348	4.3
239.07153	10.3
248.04716	1.7
249.05544	4.1
250.06383	13.8
254.05739	1.4
255.06624	1.5
265.05112	5.0
266.05783	8.3
267.06653	100.0
268.06891	7.1
283.06140	4.4
311.05722	14.3
311.09116	1.9
312.05963	2.2
322.04672	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76582	0.6
60.83699	0.7
65.03953	0.6
65.48740	0.6
69.04147	5.0
81.03466	1.5
93.03461	3.0
108.02172	3.2
109.02966	100.0
110.03301	2.4
116.94447	0.6
117.03477	1.9
121.02972	10.2
145.02960	8.1
146.03764	4.2
153.33481	0.7
158.03726	4.9
159.04524	7.2
169.06577	0.7
174.03214	1.0
181.06601	1.0
183.04549	1.2
183.08084	0.8
193.06610	3.1
195.04716	1.0
196.05324	1.7
197.06096	2.6
209.06084	6.1
210.06796	1.3
211.07660	7.5
212.04915	0.8
220.05376	1.0
221.06088	7.8
222.06876	5.4
223.07660	2.4
224.04842	3.3
225.05663	2.5
237.05632	4.5
237.43852	0.7
238.06361	4.1
239.07149	13.0
239.13023	0.7
240.07463	0.9
248.04903	1.1
249.05635	9.3
250.06360	27.1
250.08946	1.5
251.06821	1.1
265.05066	7.9
266.05832	15.0
267.06653	50.8
268.07034	4.2
311.05646	61.2
312.05984	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	311.0564
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
52.57204	0.9
56.84753	0.9
58.39751	0.9
59.01380	1.1
61.42685	0.9
69.25290	1.0
69.47491	4.2
83.01398	1.4
104.03941	0.9
109.02951	5.9
119.05029	1.7
133.02896	1.6
135.04568	1.3
145.03012	1.5
155.05081	1.6
163.04033	2.9
167.14960	1.0
171.04539	1.6
173.02419	1.5
174.03192	3.3
181.06622	1.6
181.59648	0.9
182.03787	1.0
183.04581	6.0
184.05167	1.5
185.06061	0.9
193.06635	2.7
196.05299	4.6
197.06065	1.4
198.03236	2.4
199.04025	9.8
204.05757	1.4
208.05267	1.0
209.06126	7.2
210.03352	1.6
210.06812	1.8
211.04030	18.3
211.07637	3.3
212.04733	5.0
213.05528	1.6
220.05281	3.4
221.06113	4.4
223.04005	2.0
224.04834	7.1
225.05544	4.4
226.02855	2.0
227.03528	70.1
227.07138	2.3
228.04269	33.2
229.04694	1.9
232.05264	1.6
236.04767	1.2
237.05594	11.7
238.06355	7.5
239.03516	10.2
239.07132	7.5
240.04298	34.3
241.04948	8.0
248.04790	3.9
249.05574	13.2
250.06306	3.5
252.04294	1.2
253.05099	3.1
254.05844	7.9
255.06693	7.8
264.04330	1.4
265.04999	6.9
266.05716	4.8
267.03564	1.9
267.06665	18.2
268.03720	1.5
268.06824	1.6
269.04431	1.7
281.04706	1.3
282.05359	3.4
283.06122	15.0
284.06412	0.9
293.04596	5.4
311.05637	100.0
312.05927	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44567	0.5
59.01371	0.8
69.23905	1.5
69.24319	1.9
80.16537	0.6
84.34474	0.6
93.64328	0.5
108.02155	1.1
109.02968	25.1
110.03292	0.9
117.03521	0.9
119.05032	5.2
121.02929	1.1
133.02957	5.6
135.04486	1.4
145.02972	8.5
146.03745	2.9
147.04526	1.3
161.02461	3.2
163.04010	6.7
169.33090	0.7
173.02458	13.8
174.03238	24.4
175.03886	2.6
177.01935	0.8
179.03522	0.8
181.06540	1.3
183.04533	1.2
196.05392	1.0
197.06061	1.1
199.03973	0.8
199.07640	0.7
202.02707	3.3
208.05345	1.3
209.06087	4.6
211.04016	2.7
212.04845	1.4
219.04530	1.1
221.04498	1.4
224.04832	1.5
225.05600	1.8
226.06259	1.0
227.03511	9.2
227.07101	3.7
228.04266	4.2
236.04823	1.3
237.05580	11.5
238.06325	4.1
239.03494	1.5
239.07077	1.4
240.04405	4.7
240.67084	0.7
241.04977	1.2
248.04994	0.9
249.05562	1.9
253.05118	1.9
254.05838	11.0
255.06674	17.5
264.04382	0.9
265.05124	5.7
266.05786	2.5
267.06625	3.9
282.05301	3.4
283.06158	47.9
284.06494	3.3
293.04401	3.0
311.05630	100.0
312.06006	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	311.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07478	0.9
59.01397	4.6
71.43958	1.0
72.99327	1.2
75.00860	2.7
89.02433	1.3
93.03444	1.1
108.02184	2.3
109.02963	44.9
111.00858	3.5
117.03461	2.5
119.04393	1.0
119.05045	11.0
121.02957	2.4
123.04586	1.4
131.05022	2.2
133.02058	1.3
133.02980	19.2
134.03719	2.1
135.04535	12.4
145.02965	12.0
146.03770	4.7
147.03056	1.0
147.04468	2.3
149.00916	2.3
149.02405	2.6
149.06073	2.4
158.03780	1.3
159.04575	1.0
161.02458	32.9
162.03094	1.5
163.02885	1.1
163.04060	12.0
165.04070	5.5
165.05295	1.1
167.08638	0.9
173.02464	15.3
174.03235	31.3
175.03880	4.0
177.01909	1.5
177.05594	9.5
179.03528	9.9
181.06573	2.1
183.08116	1.3
191.03455	1.0
193.04942	1.6
193.06511	2.3
196.05267	1.1
201.01982	1.0
202.02664	3.4
203.03406	2.0
206.07426	0.9
208.05060	1.2
209.06082	8.7
210.06839	1.2
211.04077	1.6
211.07651	10.6
212.04755	1.3
213.05643	1.1
219.04623	1.6
219.06491	1.4
221.02560	1.8
221.04500	20.2
222.06833	4.1
223.07610	6.8
224.07918	1.1
225.05457	2.7
226.06366	1.7
227.03401	2.7
227.07138	4.9
228.04277	1.2
237.05606	14.7
238.06277	4.7
239.07239	11.1
240.04237	2.2
240.07397	1.2
243.67554	1.1
248.04924	1.5
250.06454	1.1
253.04990	4.0
254.05881	10.7
255.06651	29.5
256.06943	2.0
265.05075	5.1
266.05750	3.2
267.06610	6.5
281.04584	1.4
282.05185	3.9
283.06140	54.7
284.06339	3.3
293.04227	3.4
311.05530	100.0
312.05923	6.6
322.64035	1.1
327.99857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10303	0.7
57.45843	0.7
69.45702	3.2
98.22601	0.9
99.40095	0.8
99.55338	0.7
109.02959	3.5
111.93474	0.9
143.05064	1.0
145.02956	1.6
155.05051	1.9
165.07181	0.8
171.04524	2.2
173.02496	1.1
174.03255	2.4
181.06580	2.2
183.04521	6.3
184.05200	1.0
185.05994	1.3
193.06616	2.0
195.04524	2.1
196.05301	5.9
197.06041	2.8
198.03253	3.3
199.04005	8.5
200.04500	1.0
202.02898	1.1
209.06087	8.1
210.03250	1.6
210.06682	1.5
211.04041	21.0
211.07677	3.0
212.04774	8.0
212.93439	0.7
213.05370	1.6
219.04491	0.9
220.05298	3.1
221.06219	5.2
222.06900	1.5
223.03972	2.1
224.04794	8.8
225.03659	0.8
225.05511	4.2
226.02872	1.4
226.06279	1.8
227.03525	80.7
227.07190	3.3
228.04262	33.6
229.04613	1.6
232.05272	1.8
236.04729	1.2
237.05547	14.8
238.06340	9.3
239.03531	10.8
239.07190	7.2
240.04305	40.4
241.05022	8.5
248.04727	6.8
249.05582	14.6
250.06323	3.6
251.03430	0.8
252.04333	1.2
253.05022	4.4
254.05850	7.6
255.06648	8.6
264.04248	2.1
265.05069	10.3
266.05746	5.4
267.03323	2.3
267.06619	20.1
268.03918	1.7
268.07092	1.5
269.04538	1.5
281.04419	1.3
282.05301	3.4
283.06171	11.6
284.06564	1.2
293.04553	3.5
294.05322	1.6
311.05637	100.0
312.05963	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	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40755	1.4
55.50954	1.4
57.03442	2.5
59.01392	20.4
71.01380	5.9
71.43951	1.4
72.99291	2.2
73.02956	3.5
75.00883	11.3
85.02953	3.4
87.00893	1.9
89.02445	5.3
93.03455	2.9
101.02452	4.6
109.02958	18.0
111.00889	2.8
113.02514	2.3
119.05049	61.0
120.05344	2.3
123.04536	2.0
129.01932	4.0
131.03513	5.5
131.05011	3.1
133.02940	10.2
134.03754	1.7
135.04549	20.7
147.02945	1.6
147.04482	1.6
149.00894	4.0
149.02554	2.1
149.04570	33.9
149.05902	3.2
159.04550	1.8
161.02464	9.9
163.04028	100.0
164.04370	4.3
165.04070	22.0
165.06975	2.1
167.03560	2.8
167.05051	1.7
167.08661	3.1
174.03143	1.6
175.03978	2.2
177.05652	11.6
179.03496	8.9
183.08086	1.5
187.03969	1.7
187.11317	1.9
193.06570	2.8
196.05203	2.1
197.06100	2.0
199.03932	2.0
205.12358	3.6
209.06067	4.1
210.06868	3.1
211.04048	8.2
211.07661	23.4
219.06581	2.0
220.05270	1.6
221.04437	14.5
221.06424	1.9
222.06795	6.7
223.07683	17.1
224.04793	3.0
227.03502	19.9
228.04350	7.5
231.10213	1.8
237.05630	6.0
238.06339	5.2
239.03416	4.6
239.07193	26.3
240.04413	9.4
241.04866	2.5
249.05432	3.7
249.11221	2.2
250.06566	1.9
253.05144	2.0
255.06674	23.2
265.05060	3.1
267.06671	13.2
272.17410	1.8
283.06097	4.2
298.24426	1.5
311.05475	35.7
311.11533	3.4
312.05737	2.2
312.11359	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0928
Annotation	R1128B
Peak:m/z	Relative Intensity
52.18376	0.8
53.96305	0.9
56.63148	0.8
57.58621	0.7
59.01382	1.6
69.15266	6.2
73.08735	0.9
79.95759	2.2
98.21847	1.8
119.04990	1.1
139.94424	0.9
155.10805	4.3
165.07071	1.3
167.08656	1.8
171.08174	1.9
183.01219	34.1
184.01825	2.1
195.08221	2.0
197.02795	9.6
197.06047	1.3
198.03473	2.5
199.07648	6.2
207.08101	1.7
209.09743	1.3
211.07603	6.1
213.09222	2.5
222.06944	1.5
223.07634	2.4
223.11256	2.1
225.05670	1.8
227.10809	4.1
235.07686	2.8
237.09238	10.5
238.06297	7.2
239.07130	9.4
239.10703	1.3
240.07986	6.3
241.08783	4.3
247.07698	1.5
249.09384	1.1
250.06358	1.6
251.07109	1.8
252.07642	1.2
255.06616	0.9
255.10294	5.1
255.14088	1.4
264.07932	2.9
265.08701	3.6
266.09412	1.5
267.06647	21.5
267.09784	1.8
268.07373	13.5
269.08121	2.4
278.05847	5.0
281.08212	29.7
282.08975	20.5
283.09750	16.9
284.10413	1.3
292.07355	1.4
293.08267	4.5
293.11163	1.1
296.06976	5.6
310.08609	1.6
311.09293	94.8
311.16818	100.0
312.09604	7.2
312.17212	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	311.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00685	0.6
50.56110	0.7
57.16493	0.7
59.01387	1.4
67.04710	0.6
70.47361	1.3
74.88293	0.6
77.79138	0.8
86.46394	0.6
87.00890	2.3
167.08699	2.8
171.08232	1.8
189.42137	0.6
195.08083	3.8
199.07739	4.1
205.29596	0.6
209.09749	2.8
211.07661	14.2
212.07999	0.8
213.09222	5.6
218.21941	0.7
218.60068	0.9
221.06093	0.9
221.09726	0.9
222.06871	1.9
223.07690	4.1
224.08430	1.7
237.09200	12.2
238.06389	3.6
238.09415	0.9
238.20374	0.6
239.07150	13.1
239.10887	1.9
240.07924	10.8
240.32033	0.6
241.08707	5.6
247.07635	2.1
247.93019	0.7
249.09224	3.7
251.07300	1.1
264.08008	0.9
265.08682	4.8
266.09222	1.7
267.03760	1.1
267.06665	21.2
267.09824	1.2
268.07416	43.8
269.08096	6.9
281.11850	1.9
282.08960	1.3
283.09781	21.1
284.10196	1.3
293.08264	2.9
311.09283	100.0
312.09631	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	311.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.2
56.04723	0.3
57.12277	0.3
66.52739	0.3
70.47213	0.7
71.35983	0.4
92.69448	0.4
98.21953	0.5
111.29832	0.3
143.05043	0.4
167.08722	0.5
172.05307	2.8
179.08687	1.1
185.06105	0.8
193.10301	0.5
195.11804	10.3
196.12117	0.8
199.03934	0.5
200.04846	0.7
207.08197	2.3
213.05664	0.5
223.11301	100.0
224.11659	8.3
224.13857	0.5
227.03523	5.2
228.04297	17.6
229.04698	0.7
237.09206	0.4
238.06308	0.7
239.03603	1.7
240.08035	0.6
241.05089	3.7
253.04965	0.6
253.08762	0.9
265.08502	0.8
266.05865	0.4
267.06738	1.3
267.10297	8.5
268.07388	1.4
268.10223	0.5
269.08084	0.5
281.08194	1.3
283.09787	1.0
293.08188	0.9
311.09274	14.2
312.09598	1.3
315.31638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.093
Annotation	R1128B
Peak:m/z	Relative Intensity
69.24261	3.7
70.02336	0.7
70.57911	0.7
130.68967	0.7
188.96983	0.7
195.11829	1.4
197.06003	1.0
207.08203	5.4
209.09792	1.3
213.05795	0.9
221.09825	1.3
222.07033	0.8
223.11301	5.9
225.05545	1.9
235.07603	1.4
237.00029	0.8
237.09357	1.1
238.06375	1.0
239.10825	1.5
241.05215	4.3
249.05615	0.8
250.06415	2.9
251.07118	4.8
252.07959	1.9
253.04953	1.0
253.08798	2.3
254.05901	2.6
255.06709	3.9
255.09837	0.7
263.07233	2.1
265.08740	12.8
266.05991	1.1
266.09216	1.5
267.06653	7.1
267.10257	7.5
267.19711	1.1
268.07568	5.2
268.10471	1.2
275.07388	0.9
278.06006	1.4
281.04620	1.5
281.08264	4.0
281.11569	1.5
282.09143	0.9
283.09827	13.8
283.13016	1.2
292.07578	1.1
293.08206	8.5
294.08630	1.5
295.06198	2.6
296.06949	19.1
296.10028	0.9
297.07300	1.3
311.09308	100.0
311.12793	7.6
311.22278	1.6
312.09595	6.9
312.12900	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57873	0.8
59.01384	100.0
69.50583	2.3
71.01383	6.0
72.40025	1.0
73.02940	2.1
79.55560	0.8
83.01377	1.1
84.75681	0.8
85.02962	2.9
87.00881	1.4
90.67863	1.0
98.22575	1.3
99.00894	1.0
101.02448	5.8
109.02970	7.2
113.02446	3.5
121.02944	1.0
121.61311	0.9
123.04488	0.9
125.46567	0.8
127.23481	1.2
133.02979	1.3
134.03781	1.3
135.04517	2.5
138.99542	1.0
149.00958	2.2
159.04518	1.2
161.02470	1.7
161.04561	3.7
179.03474	1.4
193.05055	1.1
211.04042	2.0
211.07620	1.7
211.52148	0.8
221.06145	1.7
227.03464	2.0
239.03499	1.2
239.07129	3.4
240.04216	1.2
249.05405	1.7
250.06389	2.3
255.06679	1.6
267.06577	7.6
269.10260	3.6
283.06244	1.9
311.01926	3.2
311.05600	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	311.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.2
57.96341	2.3
59.01389	8.3
69.03453	2.9
71.01393	13.5
71.05041	3.1
71.19700	2.4
71.20118	2.0
72.99313	10.1
73.02953	21.6
79.05581	2.9
82.29929	2.3
83.05025	9.7
85.02971	7.1
89.06780	2.5
93.03477	2.5
95.05022	11.6
97.02946	5.8
97.34690	2.1
98.03772	3.6
99.04530	8.8
101.02457	4.0
107.08686	11.7
108.48171	2.4
109.02947	15.1
109.06606	7.1
111.04541	5.8
111.08166	4.0
113.02472	2.8
119.05042	3.4
119.08717	3.6
121.06603	10.9
122.03786	2.8
123.04511	3.1
123.08172	3.5
125.06110	3.6
132.05795	2.4
133.02975	2.8
133.06671	3.0
135.04565	3.6
135.08179	13.6
137.02507	2.7
137.06102	4.0
137.09740	4.8
139.07651	18.1
147.08183	6.4
147.11790	10.5
149.04575	5.5
149.09724	5.1
150.06857	4.9
151.07645	5.7
151.11386	3.3
153.05608	6.0
157.10336	3.1
159.08188	3.5
159.11877	3.8
161.09821	4.8
162.06931	5.6
163.04028	2.6
163.07689	3.4
165.09193	6.3
169.10260	7.6
171.08170	19.5
172.08965	5.0
174.03293	3.7
175.07692	4.9
175.11314	5.7
177.09233	12.2
177.12886	5.9
187.11313	58.6
188.11694	2.9
191.10832	3.9
193.08562	3.3
197.06097	2.9
205.12350	100.0
206.12671	4.4
209.06207	3.3
210.06938	4.2
211.04224	2.8
211.07632	44.7
219.10329	10.0
223.07626	5.1
224.04828	3.8
225.66600	2.8
227.03561	11.5
228.04312	5.9
231.10287	18.6
237.05563	4.8
238.06242	3.5
239.03546	2.4
239.07120	8.0
240.04460	3.1
249.05702	3.4
249.11343	35.5
255.06651	42.0
267.06656	13.1
267.12473	16.8
283.06189	7.7
284.99261	2.3
285.07758	2.8
293.10416	3.6
311.05560	34.4
311.11319	46.9
312.05963	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	311.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
61.98833	1.2
95.56477	0.5
106.39774	0.5
109.02961	0.8
112.66035	0.5
119.94735	1.0
121.81985	0.6
138.16582	0.7
168.91402	0.8
183.01221	1.5
209.06114	0.6
213.15031	0.8
217.88460	0.6
223.07704	1.9
223.11256	1.4
237.05537	1.6
237.09209	3.6
238.09575	0.9
239.14453	3.3
251.07196	1.7
253.08838	1.9
263.07224	1.2
265.08701	2.1
266.09503	23.6
267.09906	2.1
268.11124	1.6
274.08780	0.5
274.88495	0.6
277.08771	0.9
278.09494	9.6
279.10019	1.2
281.08234	3.7
283.13486	2.2
295.09720	0.8
296.10565	100.0
297.10910	7.7
310.90698	0.6
311.05582	1.0
311.09763	1.0
311.12967	30.1
311.16644	3.9
311.22336	2.5
312.13202	2.4
312.16711	1.0
328.54733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75133	0.3
69.18031	2.3
79.11402	0.3
80.48768	0.3
87.46552	0.3
108.68409	0.3
137.91150	0.4
161.49480	0.4
183.01242	0.8
198.06975	0.6
204.71735	0.4
221.05983	0.3
223.11298	0.5
225.09207	1.2
226.09796	0.4
239.07170	0.4
239.10826	4.5
240.11543	7.8
241.12083	0.8
242.09468	0.4
253.08711	3.6
254.13135	4.1
255.13924	33.6
256.14313	2.0
265.12375	0.4
267.10327	2.7
268.11075	8.5
269.11569	0.9
272.10645	0.6
278.09644	0.5
283.13428	28.5
284.13773	2.4
293.11841	2.5
294.12314	0.6
295.09787	0.5
296.10483	3.0
297.11020	0.4
300.10098	5.1
301.10315	0.6
311.12943	100.0
311.16211	3.5
312.13275	8.6
312.16833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79915	1.1
53.65746	1.0
56.88460	1.2
59.01386	100.0
61.49062	1.1
67.89401	1.0
71.01374	2.6
71.04111	1.4
72.99287	2.1
83.01392	1.4
85.02982	1.1
86.81897	1.1
87.00867	3.5
89.02435	1.4
101.02461	2.0
109.02956	18.2
123.04552	2.4
133.02931	4.1
135.04529	12.8
143.05000	2.0
145.02968	4.0
149.00938	13.6
149.06085	2.3
161.02475	1.4
161.04636	1.7
161.06012	1.9
168.91418	1.7
171.04500	1.9
173.02467	8.3
174.03224	15.0
175.03633	2.2
177.05621	7.1
179.03513	7.4
189.05614	10.9
196.05269	2.3
197.06007	1.3
199.03995	2.4
202.02689	2.8
209.06122	6.2
210.06799	1.7
211.03949	5.1
211.07570	1.4
211.54694	1.1
212.04688	3.0
221.04538	3.0
224.04808	1.5
225.05666	2.5
227.03519	22.7
227.07082	3.3
228.04257	11.1
237.05585	11.4
238.06221	4.7
239.03467	2.2
239.07079	3.6
240.04279	9.4
241.04980	2.6
248.04613	1.5
249.05524	4.8
251.11340	3.3
253.05055	3.0
254.05898	8.0
255.06659	9.9
265.05118	5.2
266.05682	2.7
267.06525	6.5
281.04440	1.5
282.05188	3.1
283.06122	22.8
284.06345	1.7
293.04709	2.2
303.38541	1.1
311.05560	83.0
312.05911	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1654
Annotation	Broussonin C
Peak:m/z	Relative Intensity
61.98827	1.2
66.83545	0.3
69.82767	1.2
70.39963	0.3
92.92835	0.5
98.22647	0.5
106.27195	0.3
106.94810	0.4
119.94695	1.0
144.05838	0.4
146.98659	0.4
165.91621	0.4
171.11723	0.3
183.01204	6.7
183.02655	0.5
184.01997	0.6
189.12791	0.4
199.07658	41.8
200.08069	2.3
214.10019	21.2
215.10707	6.2
227.07187	7.1
227.10635	2.3
228.07515	0.7
241.08722	0.9
241.69826	0.4
242.09500	40.0
243.10199	9.9
244.10526	0.8
246.09027	4.1
250.10023	4.4
251.10269	0.5
268.10999	1.0
274.08505	3.3
275.08908	0.4
283.17062	11.5
284.17355	1.0
285.23917	0.4
293.15436	3.2
311.16599	100.0
312.16916	9.3
328.11163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.202
Annotation	Longithorone K
Peak:m/z	Relative Intensity
56.58228	0.8
61.98832	3.0
70.64509	1.1
80.63158	0.8
93.03470	3.9
94.03802	0.8
94.92533	1.2
97.65881	1.0
108.23208	0.9
109.78017	0.8
115.69929	0.9
119.94746	2.4
133.06593	1.3
134.91983	0.8
135.04558	1.1
135.08200	0.9
148.97166	0.9
149.09737	100.0
150.10072	4.6
163.11308	1.4
183.01228	21.2
183.02849	1.1
184.01958	3.7
197.02838	0.8
198.60335	0.8
205.15961	1.7
225.25412	0.9
239.07599	0.9
289.88159	0.9
311.02216	0.9
311.05557	1.5
311.16824	42.4
311.20200	62.3
312.17075	4.0
312.20581	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	311.202
Annotation	Longithorone K
Peak:m/z	Relative Intensity
55.57579	0.2
61.98834	0.4
69.88552	0.2
69.88905	0.5
79.95765	0.2
87.43799	0.2
94.29700	0.2
98.22580	0.3
98.95609	0.3
119.94736	0.4
133.06619	2.2
149.09735	100.0
150.10078	4.5
150.11290	0.3
183.01228	7.7
184.01941	0.9
197.02846	0.3
240.08939	0.2
293.04428	0.2
293.24854	0.2
311.16879	15.1
311.20224	54.0
311.26041	1.4
312.17191	1.3
312.20572	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	311.2232
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.06305	1.1
50.25369	1.2
52.75985	1.1
57.03440	3.3
59.01374	3.7
61.98819	1.8
65.95527	1.1
69.41434	4.2
69.41834	2.6
69.59814	1.2
83.04988	1.5
92.92767	1.6
98.22610	2.3
103.75953	1.2
111.54343	1.1
113.09753	6.0
121.10236	2.9
125.09738	2.0
127.11320	2.4
135.04520	1.3
139.11292	17.8
149.02458	1.6
150.03246	17.6
153.09291	1.4
155.10774	3.2
161.02429	1.9
168.91374	2.1
171.10283	40.6
172.10730	1.5
185.11795	2.0
201.11386	2.9
211.13345	2.3
228.84024	1.7
236.19830	1.2
249.22145	1.4
275.20264	2.4
293.21277	26.3
294.21655	2.0
311.02274	1.9
311.05655	3.2
311.16602	3.6
311.22308	100.0
312.17230	1.6
312.22522	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	311.2229
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
59.01386	2.4
61.98822	1.9
69.58595	4.8
111.08272	1.6
121.10216	3.2
125.09743	2.8
127.11314	5.1
131.07257	2.0
139.11302	17.7
147.04553	1.9
155.10809	4.0
163.80174	1.6
165.09315	1.6
171.10286	67.7
172.10637	3.9
172.48729	2.3
173.58949	1.9
183.01299	2.4
183.10262	5.8
185.11873	13.4
193.12367	5.3
201.11330	10.2
211.13428	4.9
215.55467	1.7
267.10272	5.4
268.11087	2.2
275.20209	6.0
281.08176	3.1
283.13312	9.3
293.21255	24.3
295.09753	2.3
296.10541	3.0
311.01895	2.1
311.09598	3.4
311.12891	41.8
311.16650	9.0
311.22299	100.0
312.09845	1.9
312.13278	5.6
312.16827	2.2
312.22656	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	311.2233
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.64142	1.4
57.03455	3.0
58.83268	1.4
70.53014	1.8
70.53340	3.2
73.16067	1.3
76.97704	1.4
77.01430	1.5
79.29184	1.7
100.60133	1.4
103.29934	1.5
106.03727	1.6
121.10248	2.0
123.08192	2.3
125.09753	3.6
127.11317	5.5
139.11313	22.3
155.10916	2.9
167.10826	2.2
171.10295	88.0
172.10587	4.7
179.56517	1.7
183.10274	9.9
185.11835	22.8
186.12160	1.6
201.11343	11.9
234.75531	1.5
239.14449	4.2
275.20224	6.7
281.07217	2.5
293.21255	30.9
294.21750	2.5
295.08762	3.9
295.88525	1.5
311.12091	23.6
311.22302	100.0
312.17145	2.7
312.22656	9.0
323.11545	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02800	0.8
57.03445	1.4
59.01368	1.3
61.98829	1.4
69.03416	1.0
83.05029	1.2
99.08156	1.1
119.94698	1.4
121.10290	1.4
125.09737	3.7
127.11304	7.6
129.09293	1.6
137.09735	1.3
139.11301	14.1
150.03221	1.7
155.10777	2.7
169.12369	1.1
171.10289	69.8
172.10626	2.5
181.12372	1.5
183.10277	4.6
185.11838	11.1
197.11874	2.7
201.11365	14.0
211.04070	0.8
211.13478	4.7
211.95050	0.9
275.20190	6.1
293.21243	19.0
311.02042	2.5
311.05573	1.4
311.16681	2.9
311.22308	100.0
312.22711	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	311.2233
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.85354	0.8
57.03441	1.2
59.01367	1.8
70.92062	1.3
71.01363	0.7
74.17800	0.8
83.23711	0.8
98.82901	0.8
125.09719	2.1
128.69858	0.9
133.02925	1.0
139.11285	1.7
141.12845	2.5
149.02449	0.9
161.02438	4.0
171.10287	42.3
183.10281	2.1
185.11748	0.9
263.20239	4.1
275.20209	9.7
276.20596	1.2
293.21249	28.8
294.21533	2.6
311.05466	1.0
311.22314	100.0
312.22647	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
57.00802	0.3
68.03923	0.3
72.99301	0.5
85.15887	0.4
98.22794	0.7
105.03474	1.1
108.02168	0.5
109.02964	13.6
115.05540	0.4
117.50665	0.3
121.02962	1.2
122.03738	0.7
123.04536	5.1
124.85318	0.3
132.02170	1.7
133.02969	29.8
134.03310	0.7
134.93332	0.4
135.04532	3.4
145.02945	0.4
146.03725	0.3
147.04530	1.0
150.03261	1.8
151.04033	7.0
157.12468	0.4
158.03732	0.4
159.04517	4.5
161.02460	100.0
162.02795	4.2
163.03995	0.5
177.01978	0.5
177.05577	0.3
179.03474	0.6
183.51724	0.4
203.03450	2.0
253.05080	0.6
267.06607	0.7
269.08221	2.4
277.64236	0.3
283.02585	0.8
295.06012	1.0
298.08499	0.4
313.07281	6.4
313.10797	0.7
313.13010	0.6
314.07574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0722
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
52.46479	0.2
53.13725	0.2
58.98618	0.2
69.22875	1.4
79.98264	0.2
105.03485	0.9
108.02197	0.4
109.02224	0.5
109.02961	8.2
115.53391	0.2
121.02991	0.5
122.03768	0.4
123.04533	4.7
123.05378	0.3
132.02190	1.9
133.02969	30.3
134.03333	0.8
135.04541	1.7
147.04486	0.7
149.02475	0.4
150.03235	2.1
151.04015	6.3
159.04520	2.8
161.02457	100.0
162.02806	4.2
163.04089	0.5
175.04059	0.4
177.01959	0.3
179.03537	0.3
191.03596	0.2
197.04601	0.3
200.65968	0.3
203.03529	1.1
225.05580	0.3
253.05180	0.3
267.06519	0.3
269.08200	1.0
295.06152	0.4
313.07220	4.2
313.10687	0.7
314.07541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
68.24461	0.4
72.99296	0.4
81.03449	0.4
92.37270	0.3
97.97610	0.4
100.18652	0.3
102.06851	0.4
105.03458	0.5
108.02167	0.9
109.02959	18.3
110.03300	0.3
115.01870	0.5
121.02971	1.0
122.03739	0.6
123.04556	4.1
129.24957	0.3
132.02225	1.7
133.02966	30.2
134.02463	4.8
134.03305	0.7
135.04527	1.4
145.02963	0.5
147.04553	0.5
149.02470	0.6
150.03224	1.3
151.02846	0.7
151.04010	6.2
152.04391	0.4
159.04546	3.3
161.02457	100.0
162.02856	4.0
163.04002	0.7
176.03546	1.2
179.03499	0.6
191.03391	0.4
195.11795	26.1
196.12152	2.0
198.43094	0.4
203.03517	1.3
205.03813	0.8
207.11813	0.7
225.05595	0.8
239.10864	1.0
243.05354	1.3
251.10625	0.4
267.06497	0.7
269.08249	1.4
269.11844	6.2
270.04211	0.5
271.04868	1.9
283.02393	0.7
286.07230	2.9
295.06110	0.7
298.04974	0.6
298.08258	0.5
299.01736	0.6
313.07141	5.9
313.10852	6.1
313.16455	0.5
314.06949	4.1
314.10629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
58.48215	0.3
61.54278	0.3
70.73530	0.5
80.69756	0.3
81.03452	0.4
93.32021	0.3
101.02428	0.3
105.03474	0.9
108.02226	0.3
109.02962	12.3
110.03317	0.5
121.02998	0.7
122.03748	0.5
123.04544	5.1
132.02216	1.3
133.02972	33.3
134.02434	0.6
134.03351	1.0
135.04561	1.5
145.02971	0.3
147.04529	0.6
149.02454	0.7
150.03200	1.5
151.04044	6.5
159.04549	3.7
161.02463	100.0
162.02805	5.0
163.04089	0.4
179.03514	0.5
181.12390	0.5
203.03545	1.2
225.05533	0.3
253.05235	0.3
255.02951	0.6
267.06647	0.4
269.08179	1.6
269.11774	0.4
271.02444	0.6
271.05057	0.4
286.07071	0.6
295.06094	0.4
298.04874	0.5
313.03662	0.5
313.07248	5.1
313.10641	0.7
314.07239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
69.34418	1.3
69.34832	2.8
77.04762	0.7
81.17770	0.7
117.03529	0.9
133.02924	3.9
145.37172	0.7
161.02449	12.2
183.04527	2.6
211.04050	3.8
211.68701	0.7
227.03601	2.5
238.08563	0.7
255.03008	48.9
256.03391	3.2
266.59903	0.7
267.82162	0.9
283.02509	100.0
284.02798	5.3
298.04855	81.0
299.05130	5.0
313.07199	33.3
314.07602	3.3
316.29080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50342	0.2
68.99773	0.2
70.49734	0.2
70.50085	0.3
77.03969	0.3
105.03485	1.1
109.02958	1.1
114.26416	0.2
115.01926	0.2
120.06252	0.2
122.03748	0.5
123.04543	4.1
132.02182	1.5
133.02974	30.1
134.03284	1.4
145.30702	0.2
150.03232	1.3
151.04027	5.9
152.04379	0.3
159.04517	0.6
161.02464	100.0
162.02814	4.4
163.04059	0.5
177.01988	0.2
269.08185	0.4
313.07257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0722
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
57.40726	0.2
65.03954	0.2
69.08739	1.7
69.87838	0.2
71.01376	0.3
95.05020	0.3
97.25042	0.2
105.03462	0.7
108.02216	0.4
109.02962	7.4
110.03320	0.4
111.21074	0.3
112.70437	0.2
121.02980	0.7
122.03777	0.4
123.04543	5.4
127.56519	0.2
128.95660	0.2
132.02179	1.3
133.02972	30.1
134.03317	1.1
135.04543	1.2
147.04526	0.5
149.02426	0.4
150.03265	1.9
151.04025	5.9
159.04514	2.4
161.02463	100.0
162.02811	4.3
163.04041	0.5
175.04024	0.3
191.03482	0.4
194.11116	0.3
195.11806	3.0
203.03477	1.2
210.10632	0.3
211.11374	0.6
224.08580	0.2
225.09171	0.4
239.10797	18.7
240.11067	1.2
251.10811	0.6
267.06805	0.3
269.08243	1.1
269.12009	0.4
283.02551	0.4
283.09796	3.9
284.10071	0.2
295.06110	0.4
295.09689	0.6
298.04892	0.3
313.07169	4.4
313.10867	3.5
313.14349	0.6
314.11359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
53.85166	0.1
69.67483	0.6
69.67834	0.2
72.60630	0.2
72.62299	0.1
77.03991	0.2
89.03973	0.3
95.05029	0.2
105.03466	0.8
107.51725	0.2
108.02206	0.2
109.02959	1.0
115.01917	0.3
122.03762	0.6
123.04552	4.5
131.40710	0.2
132.02191	1.3
133.02974	32.3
133.55081	0.2
134.03320	0.7
135.04573	0.3
141.39336	0.2
149.02493	0.4
150.03255	1.5
151.04031	6.6
159.04506	0.4
161.02464	100.0
162.02808	4.0
163.03993	0.3
174.26906	0.2
177.01997	0.2
269.08167	0.7
313.07101	0.9
314.07672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0723
Annotation	Nepetoidin B
Peak:m/z	Relative Intensity
56.81171	0.2
61.26437	0.2
70.97005	0.3
70.97344	0.3
77.03996	0.4
93.03468	0.3
95.05116	0.2
103.38036	0.3
109.02963	0.2
120.02238	0.4
121.02973	100.0
122.03315	2.9
123.04597	0.5
133.02992	3.0
151.03992	0.5
161.02463	8.9
161.03735	0.5
162.02786	0.4
163.99855	0.3
180.05841	0.9
180.41150	0.2
181.06609	5.0
225.05608	6.8
226.05994	0.4
269.08228	0.5
286.26581	0.3
313.07230	12.6
314.07507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
51.59022	0.3
58.84938	0.4
59.01369	0.7
69.83518	0.5
69.83869	1.1
81.03463	0.5
93.03473	1.4
95.71520	0.4
105.03477	1.0
107.80009	0.4
108.02177	1.7
109.02962	64.4
110.03288	2.0
119.05035	0.9
121.02966	4.0
123.04543	7.1
129.03432	0.9
132.02177	1.3
133.02975	32.9
134.03262	1.0
135.04503	1.8
145.02971	3.4
146.03722	1.2
147.04550	5.3
150.03227	1.4
151.04024	6.9
158.03743	1.3
159.03203	0.6
159.04527	12.9
160.04834	0.7
161.02461	100.0
162.02800	3.9
173.02528	0.5
177.02019	0.4
177.05522	0.6
179.03633	0.5
185.02469	2.0
186.03189	0.6
191.03510	1.6
194.81258	0.4
203.03539	2.4
203.50775	0.5
225.05605	0.7
237.05598	1.2
239.07042	0.4
250.06299	0.5
251.07140	0.9
253.05170	1.1
254.05855	3.1
267.06650	1.1
269.08218	10.0
270.08725	0.6
283.02472	0.4
284.80096	0.4
313.07184	13.0
313.12955	0.8
314.07425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
53.60710	0.3
56.18271	0.3
62.21783	0.3
87.93034	0.3
93.92046	0.2
98.21802	0.6
105.03503	0.8
109.02971	6.8
115.01965	0.3
115.05563	0.4
117.78811	0.3
121.02954	0.4
122.03748	0.5
122.64080	0.3
123.04527	4.8
132.02176	1.4
133.02972	28.5
134.03314	1.0
135.04556	1.7
136.50688	0.3
145.03001	0.5
146.03711	0.3
147.04564	0.7
149.02409	0.3
150.03238	1.3
151.04039	6.8
152.04424	0.3
159.04506	2.4
161.02463	100.0
162.02797	4.4
163.04053	0.6
175.03914	0.3
177.02034	0.4
179.03503	0.6
191.03503	1.2
203.03490	1.1
224.97452	0.3
248.56958	0.3
254.05962	0.3
269.08167	1.4
279.02408	0.3
295.06268	0.4
313.07257	4.0
314.07703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44767	1.1
59.01385	78.9
69.21932	5.1
71.01391	8.5
72.99307	5.1
73.02964	2.1
75.58789	1.0
82.84141	0.8
85.02946	2.7
87.00889	1.1
89.02464	8.4
99.00920	1.3
101.02435	3.9
109.02985	5.7
113.02457	3.0
117.00476	2.1
119.03504	3.8
121.04094	100.0
122.04404	2.6
132.98276	1.2
133.02960	2.2
151.04089	1.2
151.06148	2.9
155.16995	1.0
159.01425	2.3
159.04494	2.2
161.02428	8.6
162.02795	1.0
170.97827	3.8
171.01474	1.7
172.98007	1.5
172.99396	9.2
179.05563	2.8
186.99138	1.1
191.05568	1.5
203.03519	1.2
213.84695	1.1
214.89688	1.1
214.98756	1.8
215.00534	5.3
215.04604	1.1
220.44969	0.9
225.09320	1.2
253.08339	14.6
269.08099	2.4
283.02441	1.3
313.06885	2.1
313.11447	4.9
322.44949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
101.61852	0.4
105.03487	0.7
108.02151	0.7
109.02966	10.8
121.02986	0.8
123.04539	4.6
124.04904	0.4
132.02174	1.5
133.02974	30.8
135.04523	1.6
147.04526	0.6
150.03230	1.7
151.04028	6.8
155.08714	0.7
159.04546	3.3
161.02463	100.0
162.02794	4.9
170.96992	0.5
177.02060	0.5
179.03491	0.6
193.10242	0.8
195.11809	58.2
196.12126	3.5
203.03445	1.3
207.11830	1.5
225.05569	0.7
239.10805	2.8
251.10669	0.7
254.05994	0.6
267.06638	0.6
269.08313	1.9
269.11832	14.4
269.14630	0.9
270.12256	1.3
283.02600	0.7
299.04620	0.6
311.68512	0.5
313.07199	8.0
313.10880	14.3
313.16489	0.6
314.07492	0.7
314.11166	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
59.21973	0.5
71.01386	2.7
71.17006	0.7
73.02957	1.5
81.03488	0.6
85.02954	2.5
101.02450	2.0
105.03441	0.8
109.02969	13.7
113.02448	1.5
121.03005	0.8
123.04542	4.4
124.04855	0.6
132.02185	1.6
133.02972	31.2
134.03299	1.8
135.04543	2.4
147.04521	1.7
150.03181	1.3
151.04019	6.5
158.03761	0.6
159.03365	0.5
159.04532	3.7
161.02461	100.0
162.02797	4.1
179.08742	0.8
184.32726	0.6
191.03493	0.7
193.10197	3.8
194.07407	0.6
195.11797	4.2
203.03561	2.2
210.06876	1.2
211.11313	2.5
214.18033	0.5
221.09807	0.8
223.11366	0.7
237.09259	6.2
239.10796	32.3
240.11134	1.9
241.12321	0.9
251.10965	0.7
254.05682	0.7
265.08679	2.2
266.09363	0.8
267.06589	0.6
269.08322	2.6
269.11810	1.9
283.02518	1.4
283.06607	0.4
283.09787	9.3
284.10089	1.2
295.09775	1.0
296.10587	1.6
298.08405	0.7
313.07169	7.2
313.10858	12.0
313.14450	0.7
313.17953	1.0
314.11331	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1086
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
50.09291	0.5
56.55598	0.5
56.63072	0.5
71.01369	0.5
83.69038	0.5
93.03466	0.6
96.15285	0.5
97.70651	0.5
105.03458	0.8
108.02199	0.5
109.02970	12.1
119.05030	0.8
121.02982	0.8
123.04558	5.6
132.02208	1.1
133.02969	28.5
134.03305	1.0
135.04547	3.9
145.02963	1.2
147.04556	0.8
149.99641	0.7
150.03239	1.8
151.04013	6.0
159.04518	4.8
161.02461	90.6
162.02797	3.5
163.03989	0.9
167.03458	2.1
179.03519	1.2
199.07727	0.6
203.03497	1.9
208.33931	0.5
220.74196	0.5
222.06908	0.9
224.04681	0.5
225.05553	1.3
225.09229	0.7
227.07231	0.6
227.10735	0.8
237.09235	1.7
239.07140	2.2
241.05235	0.5
249.09152	1.1
251.10963	0.7
252.07660	0.7
253.05014	1.0
253.08710	1.8
254.05891	5.4
255.06566	1.6
255.10266	6.5
256.07385	2.1
257.25760	0.6
260.72836	0.5
263.07266	0.6
264.07803	0.8
265.08826	2.8
267.06671	2.0
267.10251	6.9
269.08154	1.7
269.11841	0.7
279.28641	0.5
280.07358	1.3
281.08276	2.3
282.08997	28.5
283.02695	0.8
283.09744	15.3
284.10165	1.7
285.11353	5.0
294.09021	7.4
295.06494	0.5
295.09747	8.8
296.10001	0.7
298.04770	0.6
312.10062	21.2
313.07254	7.0
313.10812	100.0
314.07669	0.6
314.11188	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	313.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
108.07720	0.8
109.02961	7.5
121.02964	2.3
123.04540	4.5
133.02982	23.3
135.04556	1.4
151.04047	4.0
159.04556	2.5
160.49052	1.0
161.02467	74.9
162.02843	3.2
164.98254	0.8
185.36618	0.8
195.11816	100.0
196.12170	8.4
216.14905	1.1
225.12923	1.8
239.10890	2.0
269.08301	1.3
269.11856	23.6
270.12131	1.7
283.02524	1.5
298.04840	0.9
313.03687	0.9
313.07098	5.4
313.10788	4.4
313.14471	4.5
313.17719	1.2
335.09784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79458	1.1
58.41489	1.2
71.29967	1.5
82.60821	1.2
87.75893	1.1
90.41235	1.0
93.08900	1.1
101.04291	0.9
111.89751	1.0
119.55418	1.0
133.02954	1.5
161.02435	4.0
171.08257	1.5
185.09717	4.0
187.07649	11.3
189.09251	6.8
198.10519	10.3
213.09291	54.4
213.12854	91.1
214.09596	2.3
214.13274	6.6
217.12415	1.3
225.16495	1.2
226.09990	18.4
227.10646	3.2
230.09448	5.2
240.15231	3.0
241.16046	11.7
245.11844	3.0
255.13937	3.7
264.73099	1.3
268.14670	1.3
269.15497	81.0
270.15784	6.7
287.16486	1.3
313.14505	100.0
313.17926	5.6
314.14841	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1451
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
50.25811	0.4
61.98838	0.4
63.68799	0.3
71.16561	0.3
99.04507	0.5
109.02983	0.5
121.02985	1.5
123.04530	0.3
132.19783	0.3
133.02974	2.9
136.98872	0.3
151.04092	0.4
159.04497	0.3
161.02467	9.8
162.02792	0.7
191.82034	0.3
211.07635	0.4
214.06361	0.5
216.07964	0.7
217.08644	0.3
225.09216	0.7
226.10019	1.3
227.10785	0.6
229.08783	1.5
237.87291	0.3
241.05125	0.6
241.08630	0.8
241.12386	2.6
242.05673	0.3
242.09491	4.1
242.13168	0.3
251.10893	0.5
253.12451	0.4
254.85657	0.4
255.06592	0.6
255.10336	1.2
256.11069	0.4
257.11850	1.2
257.15521	0.8
267.13974	1.0
268.11206	0.4
269.08725	0.5
269.11865	5.5
269.14914	0.4
270.09006	4.0
270.12534	2.2
271.09457	0.4
279.10245	0.9
280.11008	0.5
281.11926	0.4
282.08945	0.6
283.02560	2.0
283.09808	4.6
283.12930	0.7
284.10193	0.6
284.14423	0.4
285.15030	3.2
295.13309	1.5
297.11349	10.1
298.04898	0.9
298.12097	2.7
313.06918	2.1
313.14487	100.0
314.14841	9.5
314.17838	0.2
330.11206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1451
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
50.11773	0.4
50.38146	0.4
52.42611	0.4
69.66496	1.4
109.02962	0.6
112.22953	0.4
121.02955	0.9
123.04525	0.6
128.60751	0.4
133.02954	4.0
149.41891	0.4
151.03975	1.2
161.02463	13.9
178.53699	0.4
225.09235	0.8
227.14432	0.6
239.10721	0.7
240.11586	0.7
246.61732	0.4
249.09146	0.8
253.08701	3.0
255.13960	4.5
267.10260	4.3
268.11029	3.8
269.11740	0.5
279.10599	0.6
280.10980	1.0
281.11923	2.4
282.12634	7.1
283.02423	1.0
283.09833	2.0
283.13370	13.9
284.13718	1.4
285.14984	1.9
296.14282	0.5
297.11322	3.1
298.12097	5.3
313.14471	100.0
314.14822	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	313.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54445	0.5
69.71900	1.8
69.72237	0.5
86.69862	0.6
89.13064	0.6
97.59862	0.5
109.35218	0.5
128.40686	0.5
146.68195	0.4
173.52563	0.5
187.84880	0.5
193.47968	0.6
227.10770	0.9
235.24092	0.5
239.10748	2.9
240.11581	3.4
251.10963	0.9
255.10461	1.9
255.13937	29.6
256.11008	1.4
256.14188	1.9
267.10968	0.5
267.13919	9.3
268.11008	2.0
268.13995	0.7
269.11850	1.1
279.10275	0.8
280.11011	0.9
283.13434	29.2
284.13828	2.9
285.15036	7.4
295.13406	8.1
313.14487	100.0
314.14801	7.4
314.18326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.145
Annotation	(-)-(aS,9S,9'S)-Alnusdiol
Peak:m/z	Relative Intensity
50.20207	0.2
63.68218	0.2
63.71452	0.2
65.59213	0.2
66.86608	0.2
68.99148	0.2
104.06510	0.2
133.02936	0.7
161.02470	3.5
197.75435	0.2
200.04753	0.6
202.06361	0.2
211.03914	0.2
214.06339	0.5
214.33620	0.2
223.11259	0.2
224.12090	0.2
224.19977	0.2
226.06303	0.4
226.10033	0.2
227.07106	0.4
239.06992	0.4
239.14381	1.5
240.07907	1.1
253.08745	3.5
254.09262	0.8
255.13969	0.6
265.08612	1.0
265.12314	0.8
267.10266	7.0
268.11014	6.5
269.11490	0.6
271.09799	0.4
279.10266	1.9
280.11087	1.3
281.11758	1.7
282.12704	1.6
283.13412	31.7
284.13757	2.5
285.15012	0.2
295.13422	12.9
296.13773	1.0
297.11292	0.8
298.12128	0.6
298.52704	0.2
311.12973	1.5
313.14478	100.0
314.14822	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	313.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24398	3.0
81.03465	0.5
83.05006	0.6
98.21871	1.1
133.02983	2.4
139.91116	0.4
161.02478	8.5
162.02907	0.7
185.06169	0.9
189.02003	1.1
190.02734	1.4
198.06885	0.6
199.07649	8.5
199.10909	0.5
200.08122	0.8
203.03508	0.9
204.71173	0.6
209.13522	0.8
211.07756	0.6
225.05635	1.5
225.09233	4.0
226.09961	5.0
227.07045	2.4
227.10722	1.2
229.05049	3.9
231.10313	0.8
237.12894	5.0
239.10875	0.6
241.12360	42.1
242.12802	2.3
243.06624	10.4
244.07355	3.2
245.11842	0.8
251.10857	0.9
252.11737	0.7
253.08839	0.8
253.12381	1.0
254.09457	0.9
255.10378	2.9
255.13843	0.9
256.11020	1.1
257.11996	1.8
267.13971	3.8
269.11850	38.7
269.15353	2.6
270.12143	3.2
279.13831	0.8
283.13446	0.9
285.14996	1.6
285.19217	0.6
295.10052	1.2
295.13492	6.6
295.17117	4.3
296.17422	0.6
298.12177	0.6
313.11026	3.5
313.14557	100.0
313.18158	19.7
314.11285	0.5
314.14883	9.0
314.18713	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	313.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77348	0.5
51.41429	0.6
69.91821	1.1
77.98584	0.5
83.44617	0.5
93.37092	0.5
98.86411	0.6
117.24386	0.5
146.75575	0.6
157.42552	0.5
161.02448	2.0
200.08456	0.7
211.07671	3.6
212.08325	1.1
223.07645	2.3
224.08473	0.6
225.09245	2.1
225.29582	0.5
237.09151	2.0
238.09915	1.3
239.10785	54.6
240.07896	0.8
240.11134	3.2
253.12347	27.9
254.13058	19.4
255.13495	1.6
265.08746	3.9
266.09457	1.8
268.11063	4.3
269.11627	1.1
281.11823	4.9
282.12476	1.5
283.13361	4.1
283.16949	1.4
285.15295	0.9
286.12149	10.1
287.12451	1.0
297.11612	0.9
297.14893	2.5
298.15753	38.4
299.16241	2.9
313.14426	100.0
313.18076	46.8
314.14764	9.2
314.18484	4.1
324.39618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10281	0.3
61.00879	0.3
63.32331	0.3
69.16752	1.6
98.21889	0.7
121.43761	0.3
161.02475	0.6
170.32985	0.3
218.90416	0.4
224.02911	0.3
229.08849	0.3
230.09578	0.5
242.09406	0.4
243.06628	0.3
255.10271	0.5
255.13934	0.5
265.12640	0.3
267.14090	0.4
270.12637	0.6
282.12564	0.9
283.13419	3.0
285.15109	1.1
297.14975	4.7
298.15768	74.7
299.16107	6.2
313.14539	12.0
313.18079	100.0
314.14917	0.7
314.18457	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	313.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.6
62.88128	0.5
69.83157	0.6
69.83492	1.1
83.05028	0.7
98.22597	0.7
109.02939	1.1
133.03008	3.3
145.33501	0.5
161.02464	13.1
170.88336	0.6
188.08427	0.6
200.08415	1.9
201.09190	1.9
213.09233	1.1
214.09914	0.6
215.10722	0.6
226.02946	0.5
227.10704	1.0
228.11485	1.7
230.09479	1.9
239.10852	4.2
240.08040	0.5
240.11426	0.7
241.12350	10.6
242.09389	0.7
242.12959	0.7
243.13908	0.7
253.12305	1.5
254.12964	0.8
255.10176	1.0
255.13914	3.2
256.10922	1.5
267.13803	1.6
269.08493	0.5
269.11652	0.7
270.12582	1.5
283.13376	3.1
283.17026	6.9
284.17471	0.9
285.15085	1.5
285.18585	7.6
286.12119	0.9
286.18848	0.7
295.13721	1.0
295.16821	3.3
297.14841	0.6
298.15796	4.5
299.16382	0.6
313.14426	19.4
313.18057	100.0
313.23962	2.4
314.14786	2.9
314.18503	10.4
325.34070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61905	1.0
83.05038	1.1
84.53064	0.3
95.73749	0.3
105.36230	0.3
158.10204	0.3
161.02470	0.8
193.88200	0.3
199.11230	0.3
200.08485	2.9
201.09177	1.5
207.53581	0.3
214.09962	0.3
226.10020	0.5
227.10777	0.6
228.11568	4.0
229.12117	0.5
239.10757	0.6
240.11388	0.5
241.12370	20.8
242.12712	1.7
243.13919	0.5
255.13776	0.6
263.14474	0.4
265.15936	1.1
283.17059	8.1
284.17358	1.0
295.17142	1.1
313.18121	100.0
314.18488	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1814
Annotation	17-Ethynyl-10-hydroxy-19-nortestosterone
Peak:m/z	Relative Intensity
69.32227	0.8
69.32646	0.3
85.06572	0.7
98.22644	0.4
133.02959	1.2
139.36012	0.2
161.02454	4.0
162.02808	0.2
185.00833	0.2
194.71193	0.2
195.31583	0.2
200.08385	1.3
201.09021	0.4
211.11290	0.8
213.09238	1.3
214.10054	1.5
223.11374	0.3
227.10788	1.2
228.11470	0.6
239.10815	1.0
240.11501	0.4
241.12303	0.8
247.11232	0.2
249.12740	0.3
251.10770	1.7
252.11534	1.7
253.12212	0.6
255.10391	0.3
255.14014	0.3
257.11758	0.4
257.15457	0.5
261.12915	1.2
265.12363	2.5
265.15903	0.4
266.12848	0.3
267.13940	0.9
267.17441	0.5
275.14511	0.2
277.16052	2.4
278.13321	0.3
279.13885	8.9
280.14621	4.5
281.15295	0.4
283.13452	0.6
293.15497	0.5
295.17047	75.5
296.17401	6.9
298.15445	1.0
311.16574	0.9
313.18106	100.0
314.14856	0.5
314.18481	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	313.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26482	0.2
58.45870	0.3
59.66958	0.3
61.98828	0.5
69.47990	0.3
70.49155	0.5
75.70499	0.2
89.81470	0.2
105.87312	0.3
116.57857	0.2
133.02914	0.6
161.02472	2.5
213.09245	0.3
214.06396	0.4
216.07904	2.5
227.07422	0.4
227.10825	0.4
228.07860	0.3
230.09541	0.4
239.10806	1.3
241.08704	0.4
242.09479	1.9
255.10304	0.8
255.13873	1.0
257.11847	17.6
258.12170	1.2
269.15463	0.8
283.13504	1.4
283.16434	0.3
285.15106	0.5
285.18539	0.7
297.14896	0.6
298.15594	1.0
311.16531	0.5
313.14795	4.7
313.18094	100.0
314.15036	0.4
314.18457	9.3
335.13669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1813
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
57.13419	0.4
61.10757	0.4
64.96006	0.3
65.08772	0.3
70.44427	0.5
74.28491	0.3
115.07121	0.4
128.41896	0.4
133.03006	0.9
161.02449	2.8
183.28116	0.4
186.06885	4.7
187.07579	0.8
198.06886	1.1
203.01491	0.4
209.09798	0.4
212.08473	0.6
227.10811	26.4
228.11183	1.6
239.10812	9.3
240.11168	0.4
254.13170	0.7
255.10271	1.8
255.13895	0.7
257.11868	29.8
258.12210	2.2
283.13733	0.5
283.17062	6.2
284.17245	0.5
285.18488	0.7
295.17096	4.4
311.16583	1.6
313.18112	100.0
314.14816	0.7
314.18497	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	313.1814
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
58.35592	0.4
59.01394	0.6
61.98812	0.5
109.02982	0.7
111.13166	0.5
121.02955	0.8
123.04484	1.0
126.25007	0.4
133.02966	4.6
151.04012	1.1
161.01117	0.7
161.02455	13.0
162.02837	0.9
201.09171	0.5
213.09264	1.0
214.09933	1.1
215.10831	1.7
225.09204	1.1
227.10777	2.0
254.09373	0.5
269.11978	0.9
283.13358	2.2
297.14932	2.0
298.12173	0.6
298.15399	0.9
313.14636	6.4
313.18100	100.0
314.15146	0.9
314.18436	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54484	0.3
57.69884	0.3
61.98835	0.6
69.61775	1.0
123.08165	0.5
133.02957	0.7
149.09700	0.3
150.95789	0.2
154.67087	0.3
160.05325	0.6
161.02486	2.6
164.08414	0.4
165.09229	2.1
170.88414	0.3
172.29819	0.3
177.09218	0.8
188.04820	3.4
188.08412	1.0
189.09184	0.9
190.09949	0.5
191.10840	1.3
200.08406	0.6
201.09227	1.9
202.09885	0.3
203.10736	0.6
204.11589	0.6
205.12338	0.4
213.05545	0.3
213.09238	0.8
214.09935	0.7
215.07079	0.3
215.10776	1.0
216.07980	0.8
217.08594	0.4
218.76892	0.3
227.10762	1.5
228.11566	3.0
229.08667	0.8
229.12277	1.4
230.09502	2.5
231.10291	2.6
239.10789	1.0
240.11539	0.4
241.12451	0.5
243.10330	2.4
244.10762	0.7
251.10963	0.4
252.11632	0.6
253.12402	0.5
255.10364	0.7
255.13922	0.5
256.11047	0.9
257.11823	0.5
261.12888	0.3
265.12308	0.5
267.13962	0.5
269.11859	0.3
270.12622	1.0
277.15942	0.6
279.13904	1.5
280.14520	0.4
283.13519	0.5
283.17087	1.2
285.14951	0.4
285.18597	0.5
287.16525	1.1
295.17056	13.3
296.17352	1.4
298.15750	0.9
299.16550	0.8
311.16687	0.4
313.18118	100.0
314.14868	0.6
314.18546	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	313.1815
Annotation	3-Methoxy-androsta-3,5-diene-7,17-dione
Peak:m/z	Relative Intensity
61.98839	0.9
70.52763	0.6
72.09903	0.4
80.02625	0.4
98.26151	0.4
111.75939	0.4
119.94682	0.5
121.94427	0.4
133.02960	1.3
161.02475	3.9
210.06931	1.1
227.10399	0.6
232.37825	0.4
238.09949	2.7
239.10725	0.4
242.12729	0.6
251.10670	0.7
253.12361	9.5
254.12764	0.7
257.11716	0.5
265.12354	13.6
266.13116	7.2
280.14725	5.5
281.15500	100.0
282.12585	0.8
282.15805	9.5
297.14960	1.2
298.15338	17.9
299.15640	1.0
313.18079	51.2
314.18445	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	314.0432
Annotation	3-methoxyluteolin
Peak:m/z	Relative Intensity
52.80639	0.2
54.05200	0.2
55.22173	0.2
62.28677	0.2
63.02402	1.4
63.63841	0.2
64.16738	0.2
65.00011	0.3
65.00305	1.1
67.05386	0.2
70.91049	0.3
74.33790	0.2
83.01392	0.4
84.76176	0.2
89.00332	0.3
91.01913	0.3
94.00578	0.2
95.01369	0.3
107.01389	2.0
108.02213	0.5
109.02978	1.9
115.05517	0.3
119.01354	0.2
121.02950	0.2
122.00046	0.3
123.04549	0.4
124.04919	0.2
130.74559	0.2
131.05032	0.2
133.02969	4.9
134.03305	1.6
135.00900	0.8
139.04073	0.2
143.05046	1.7
145.02979	0.5
147.00916	1.1
147.04539	0.5
148.01682	0.3
149.02415	0.4
151.00392	2.2
151.04041	0.3
155.05025	0.8
157.02940	1.1
159.04507	0.5
160.98792	0.3
161.01114	0.3
161.02470	5.7
161.06116	0.3
162.02794	5.2
163.00380	0.5
163.02864	0.2
169.01544	0.4
169.02963	0.4
171.04532	4.2
173.02451	1.0
175.04042	2.4
182.03745	0.2
183.04556	0.9
183.14012	0.2
184.99648	0.2
185.02455	0.4
187.00537	0.2
187.02438	0.3
187.04001	2.0
189.01968	0.3
189.05603	0.5
197.02472	1.0
198.03305	1.3
199.04027	10.7
200.04323	0.6
201.01976	3.6
201.03735	0.4
202.02313	0.3
203.03517	1.5
213.02017	0.3
214.02728	0.6
215.03511	5.3
216.03711	0.2
225.01970	0.6
226.02731	2.1
227.03523	6.5
228.03850	0.3
229.01497	0.7
241.01410	0.3
242.02258	2.1
243.03001	7.1
244.03383	0.5
254.02110	0.6
255.02965	1.0
257.04584	0.3
269.04672	1.6
270.01828	1.5
271.02502	84.6
272.02832	5.6
282.01736	0.8
283.02206	0.2
285.04071	2.3
286.04752	0.5
298.01328	0.5
299.01990	100.0
300.02350	6.7
300.05795	0.3
314.04346	78.3
315.04709	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	314.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00855	1.7
59.01389	11.7
63.47890	1.4
70.57417	2.9
71.01393	3.1
72.04546	4.8
74.02489	2.1
82.03013	8.3
83.01402	7.6
88.04048	5.7
89.02431	2.5
93.03493	2.8
95.05058	3.7
97.06599	14.4
98.02490	12.2
98.21962	2.5
99.08168	2.4
100.07663	2.0
108.04575	2.6
109.02959	5.1
110.02541	2.2
110.03262	3.0
110.06139	10.7
114.05649	4.9
115.66830	1.5
118.98119	13.2
122.06123	1.9
125.02465	2.8
126.05611	4.6
130.08762	3.7
133.02968	4.1
134.03268	3.8
135.04514	2.9
148.04828	2.0
150.09236	5.1
151.04002	2.4
152.04347	2.5
153.01962	14.2
153.05531	2.3
154.05116	7.0
161.02455	7.4
162.02727	7.8
164.10852	3.0
168.10291	21.6
172.64717	1.8
180.13918	3.9
183.10272	2.9
186.11369	75.6
187.11635	2.6
206.11861	3.6
208.13495	4.9
223.51280	1.7
224.12967	3.5
230.04552	1.9
234.11545	1.5
250.10866	9.2
252.12387	16.2
268.11929	3.1
269.11295	1.6
270.08740	2.2
270.13495	45.0
271.13690	2.1
296.11533	3.5
314.06903	4.8
314.12485	100.0
315.07504	3.1
315.12473	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	314.9805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42054	1.0
59.01384	92.5
59.77459	1.0
67.76954	1.3
69.31771	4.6
69.32172	1.9
71.01401	4.6
72.99314	2.3
73.02955	3.4
76.47107	1.0
108.02190	47.1
109.02972	50.7
114.98875	2.0
115.02516	1.9
117.00482	2.1
123.04532	17.5
125.00964	1.4
132.98212	2.1
135.04588	1.3
144.07918	1.1
148.32478	1.2
151.04066	1.1
152.01169	35.2
153.01959	69.6
153.04451	2.3
153.05588	31.3
156.99947	1.8
159.01529	6.6
163.03995	1.3
170.97966	1.7
173.01378	1.2
173.03111	4.6
174.99265	32.1
215.04147	2.6
217.00317	100.0
218.00594	2.7
227.88724	1.2
254.99980	2.8
315.04062	4.0
315.07278	57.0
316.07562	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	314.9806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.67822	0.8
69.42527	2.1
69.42924	2.0
71.01376	3.9
72.99337	1.4
78.95927	0.9
81.41101	0.8
86.10068	0.7
93.03465	1.1
101.02434	1.3
108.02184	29.4
109.02225	1.8
109.02967	29.8
117.00433	1.5
123.04543	19.0
125.66028	0.9
132.98236	3.8
135.04536	2.4
152.01170	18.9
153.01964	33.1
153.05600	21.7
156.99933	1.0
171.01465	1.2
173.01242	1.2
174.99268	32.6
186.99271	2.1
191.05663	1.7
212.04642	0.9
214.98772	5.5
217.00325	99.0
218.00700	2.5
230.73267	0.9
255.00049	2.5
272.96078	3.0
309.34869	0.8
314.97202	0.9
315.07275	20.7
315.10666	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	315.0515
Annotation	8-Hydroxytectrigenin
Peak:m/z	Relative Intensity
59.01388	0.8
61.47291	0.6
64.09142	0.5
66.21829	0.6
68.95906	0.5
69.50475	2.5
80.11360	0.5
97.24589	0.5
98.65139	0.5
107.01367	1.2
108.02184	2.6
109.02991	1.4
112.03116	0.5
114.20795	0.6
133.02989	1.0
135.00964	0.6
135.03604	0.7
135.04520	1.2
148.01672	3.0
151.00432	1.3
151.04021	0.6
161.02467	3.0
162.02863	2.5
163.00439	1.1
163.03015	2.0
164.01210	1.6
179.03548	0.6
192.00668	1.5
199.04008	1.0
199.91032	0.7
215.03618	0.8
226.02835	1.3
227.03453	2.9
230.99486	1.2
243.02979	12.8
244.03458	1.0
254.02196	2.8
255.03008	27.3
256.03406	1.8
271.02515	58.1
272.02994	4.9
286.98303	0.7
290.05988	0.5
299.02039	1.0
300.02780	100.0
301.03143	7.6
314.97766	2.3
315.05133	43.7
316.05597	3.3
335.30643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01162	0.7
54.70962	0.6
55.35022	0.7
59.01374	3.8
69.38337	2.4
71.01405	4.1
72.99316	0.8
77.34082	0.6
81.03480	0.8
85.02952	1.6
85.60057	0.6
96.18008	0.7
101.02455	2.0
107.90933	0.8
108.02181	100.0
109.02975	35.4
113.02473	1.6
121.02967	1.1
123.04542	7.6
129.00417	2.3
130.00476	1.0
131.00211	2.3
132.36543	0.7
151.04028	1.3
152.01160	69.3
153.01956	33.9
153.05568	10.0
159.01498	1.7
163.03975	1.6
165.02011	1.5
165.32655	0.7
167.02103	0.7
171.01529	6.3
172.01744	1.7
173.01201	6.5
181.05096	0.9
287.82913	0.8
315.02884	3.4
315.07227	79.1
316.07477	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	315.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69852	0.5
59.01385	6.9
59.52917	0.4
69.89755	0.4
70.02014	1.1
70.61121	0.4
71.01389	2.6
72.99329	0.6
73.02946	2.8
81.03456	1.0
85.02977	0.9
95.01410	0.6
101.02443	0.7
108.02186	100.0
109.02977	41.6
110.03291	1.0
112.27903	0.4
113.02462	0.6
115.02505	0.7
117.00454	1.7
119.00220	0.9
123.04533	1.9
125.85594	0.5
135.00928	0.5
144.99933	0.7
151.04016	1.4
152.01167	64.5
153.01958	39.1
153.05568	1.6
154.02280	1.2
159.01527	3.2
163.04002	1.4
165.01932	2.1
170.97827	1.1
171.01428	0.8
172.97693	1.4
172.99501	1.1
173.01318	1.3
173.03070	3.0
174.99313	1.2
187.01056	0.6
215.04129	0.9
217.00258	1.7
217.02205	0.8
254.99869	0.9
315.04245	2.9
315.07257	73.3
316.07523	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	315.0727
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01384	4.4
62.36375	0.4
70.79427	0.5
71.01383	2.5
72.99316	1.3
73.02953	1.7
81.03465	1.1
81.92065	0.4
85.02967	1.0
93.03465	0.7
95.01393	0.5
101.02477	1.1
108.02187	100.0
108.70375	0.5
109.02983	32.8
110.03285	1.2
113.02483	0.7
114.98904	1.3
117.00485	0.9
121.02969	1.1
123.04542	18.9
131.68874	0.4
133.02963	0.7
135.04494	0.8
151.04062	1.2
152.01175	62.9
153.01967	28.6
153.05583	19.9
154.02275	0.9
154.05914	0.7
156.99960	1.9
159.01505	2.1
163.04063	1.2
165.01958	1.8
171.01436	0.5
172.90985	0.6
172.99397	0.9
173.03110	1.3
174.99338	1.1
193.16678	0.4
205.20149	0.4
211.71739	0.5
215.04091	0.7
217.00391	1.9
233.62323	0.4
255.09534	0.5
315.07269	60.6
316.07535	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	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03440	1.1
59.01386	1.1
61.98812	0.3
65.00316	1.3
67.01895	0.9
67.80203	0.2
68.99833	1.5
70.56741	0.3
70.57092	0.4
71.01368	0.4
71.57985	0.2
81.03454	0.6
83.01398	8.5
85.02963	0.4
87.00858	0.3
97.02923	0.5
107.01415	2.3
108.02170	0.3
109.02966	3.9
111.00880	0.7
118.98083	0.4
123.04533	0.7
124.01680	0.4
125.02465	6.5
130.08728	0.4
135.04616	0.4
137.02472	0.6
139.04022	1.0
143.11905	0.3
149.02472	0.9
151.00395	14.0
152.01050	0.7
153.01955	100.0
154.02325	3.3
164.53981	0.2
165.01962	0.5
167.03534	0.7
168.00658	0.4
175.21812	0.2
177.01907	1.2
183.10283	0.6
195.03004	2.9
196.03325	0.3
204.60332	0.2
219.02869	0.3
269.11621	0.3
315.07294	5.7
315.10971	0.4
316.07526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01119	0.5
59.01387	5.6
61.98818	0.3
71.01395	2.4
71.17001	0.4
72.99332	0.4
73.94914	0.3
76.15282	0.3
78.95911	0.5
88.32697	0.4
89.02442	1.3
91.01923	0.5
101.02461	1.3
108.02179	2.7
109.02962	68.2
110.03311	2.0
113.02464	0.6
117.00465	0.5
119.03490	0.6
123.04552	6.2
124.01633	0.3
152.01192	2.0
153.01953	100.0
153.05508	6.3
154.02281	3.3
156.99930	0.9
170.43355	0.4
195.02988	4.1
217.00291	0.5
234.14897	0.4
255.05186	1.9
281.84766	0.4
315.07254	17.5
316.07611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	32.0
60.09283	1.0
71.01394	1.1
72.99332	1.5
87.00884	12.3
93.07101	2.1
95.86066	0.8
99.14463	0.8
103.00367	8.8
112.98065	1.5
112.98820	18.4
121.10233	8.8
130.99854	3.3
139.79639	0.9
149.00903	2.2
153.09198	1.0
159.87920	0.8
160.29402	0.8
165.09196	8.3
183.10274	100.0
184.10637	5.8
277.27301	0.9
315.10840	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	315.1089
Annotation	Taxicatin
Peak:m/z	Relative Intensity
81.03484	0.3
95.05039	0.6
95.05718	0.3
98.58934	0.3
109.02959	0.6
111.39921	0.3
122.03745	0.5
123.04541	73.0
124.04866	2.3
153.05594	100.0
154.05928	3.8
315.10864	2.0
316.11502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02906	0.7
58.72805	0.7
59.01385	28.0
69.03463	1.9
69.36468	4.0
71.01388	1.0
83.05008	0.7
84.99325	1.9
87.00878	13.2
93.07127	1.0
98.21905	1.3
103.00379	6.7
106.91886	0.7
112.98822	15.8
113.06107	5.3
121.10245	2.8
125.01881	0.7
130.99872	2.2
139.11328	1.1
149.00977	1.1
153.09227	8.1
162.02882	0.8
165.09239	3.4
183.10278	100.0
184.10596	4.5
250.50784	0.8
292.59991	0.9
315.10791	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	315.1242
Annotation	Monocillin II
Peak:m/z	Relative Intensity
69.87546	1.1
70.69930	2.3
74.72298	1.1
142.28993	1.2
171.11780	1.8
183.11794	2.2
197.13382	100.0
198.13715	7.1
209.13333	1.5
227.14400	2.4
241.12366	4.0
253.12477	1.2
271.13449	30.0
272.13849	2.3
315.12427	38.1
315.16122	2.0
316.12695	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	315.1602
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
64.10642	0.5
66.97612	0.5
69.42887	2.4
75.92524	0.5
79.39758	0.5
82.84139	0.6
83.05038	0.9
93.03460	0.5
100.98783	0.5
117.03479	39.9
118.04251	2.9
119.05042	46.6
120.05344	1.5
121.02956	3.6
123.04558	0.9
133.02945	1.0
134.03766	0.6
145.02968	100.0
146.03319	3.7
147.04524	0.7
151.11301	0.7
157.12367	0.7
161.02469	0.7
162.03200	2.1
163.02887	0.9
163.04051	7.9
177.72081	0.6
199.01741	0.5
207.78490	0.5
213.02521	0.5
260.87885	0.5
315.16074	66.3
315.19641	8.7
316.16412	6.7
316.19855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36694	0.4
59.01399	0.5
61.98806	0.8
66.31573	0.5
69.68701	1.2
69.69047	0.8
79.42131	0.4
83.05022	0.7
93.03428	0.7
98.28064	0.4
101.09598	0.5
117.03481	38.7
118.04358	2.6
119.05038	41.7
120.05371	1.6
121.02974	4.7
123.04552	1.6
133.02983	1.3
145.02966	100.0
146.03287	3.0
151.11356	0.6
160.38425	0.4
161.02441	0.9
162.03271	2.1
163.04054	8.9
164.04407	0.4
259.17004	0.6
283.17026	0.6
299.16513	0.6
300.16882	0.4
315.16031	64.9
315.19672	20.5
316.16364	5.5
316.20004	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	315.1604
Annotation	Gibberellin A9
Peak:m/z	Relative Intensity
57.03446	0.7
59.01387	1.3
63.81636	0.7
67.59904	0.7
70.83974	1.2
71.05031	2.9
82.76797	0.9
83.05048	1.1
104.12740	0.6
124.40871	0.7
149.06119	0.9
150.91629	0.7
153.55573	0.7
178.88817	0.8
201.12856	2.1
211.14870	1.2
219.69748	0.8
225.16493	17.4
227.18083	16.5
228.18404	1.0
241.15935	6.0
253.16048	0.8
259.17081	5.1
267.13782	1.2
269.15598	1.9
271.17056	64.2
272.17377	4.9
285.14941	2.5
287.16660	1.2
297.14990	9.1
311.45612	0.8
315.16049	100.0
315.19525	7.4
316.16415	9.8
316.19919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19300	0.6
70.53612	1.1
70.53936	0.8
87.90199	0.5
97.93815	0.6
115.14735	0.7
122.03730	0.7
142.15196	0.6
149.06139	0.6
172.05292	1.4
176.16992	0.6
185.06061	1.3
187.07617	1.0
196.05283	1.6
199.07675	1.6
211.07664	12.4
212.08037	1.1
215.14301	0.9
220.14708	1.3
225.12772	1.0
228.11484	2.1
229.08670	0.8
229.12210	0.9
237.09087	0.8
239.10631	1.4
239.14435	1.5
241.12270	0.7
242.13258	1.0
243.13904	23.9
244.14232	1.8
251.10861	1.6
252.11510	2.3
255.13927	6.5
257.15479	16.7
258.15912	2.3
258.81464	0.6
267.13916	17.7
268.14221	1.8
269.11789	0.8
269.15527	1.6
271.20480	1.4
273.18640	6.8
274.19031	0.9
279.13889	1.3
282.16064	1.2
283.17010	1.1
285.14996	77.1
286.15369	7.1
297.14984	3.9
297.18246	1.0
315.15955	100.0
315.19629	50.6
316.16296	8.7
316.19986	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	315.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68398	0.2
69.71819	0.5
69.72192	0.4
70.77127	0.2
76.46756	0.2
82.08035	0.2
93.07097	0.9
108.14766	0.2
109.02983	0.2
121.06609	10.0
122.06942	0.5
149.06097	17.9
150.06451	0.7
154.94508	0.2
162.60709	0.2
164.08374	1.4
165.09216	0.8
191.07138	0.3
201.09224	0.4
202.06377	0.4
211.07686	0.6
214.09975	0.6
215.10789	0.6
215.18045	0.3
223.48137	0.2
227.10831	0.5
228.11452	0.5
229.08684	0.6
229.12291	0.4
231.10252	0.4
237.12869	0.3
238.13458	0.4
239.10799	1.0
239.14494	0.8
243.10304	1.8
243.13925	1.4
243.17754	0.3
244.11122	2.2
251.10826	1.0
251.14453	0.3
252.11615	0.6
253.16032	1.5
255.13878	0.6
257.11807	0.8
257.15552	1.4
259.17041	0.9
266.13168	0.4
267.13907	7.5
268.14236	0.7
269.15317	0.5
271.16992	1.1
272.14163	1.0
272.17383	0.3
279.13867	1.7
283.16980	1.7
285.14990	5.9
285.18222	0.3
286.15363	0.4
297.15030	2.7
297.18387	0.4
298.15314	0.3
299.16574	1.0
300.17163	1.1
314.18610	0.5
315.16006	48.7
315.19656	100.0
316.16324	4.0
316.20016	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	8.0
57.03451	5.9
58.00592	1.2
59.01385	74.4
62.44248	0.9
69.03473	1.1
71.01391	100.0
72.01734	1.5
72.99306	0.9
73.02954	28.1
75.00878	1.8
83.01398	13.6
84.22932	1.0
85.02964	43.7
87.00889	2.7
89.02457	24.4
90.46633	0.7
95.01407	8.4
97.02976	2.0
99.00892	15.5
101.02457	57.6
102.02809	1.4
105.66766	0.8
113.02463	40.9
119.03508	7.7
125.02454	1.8
129.01973	1.3
135.03584	1.0
143.03520	2.9
147.57967	1.0
159.03017	6.8
161.02531	1.2
161.04570	21.4
162.02640	0.8
163.02989	1.0
178.08083	0.9
296.89688	0.9
309.56189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32615	0.3
61.98832	0.5
69.28784	1.2
86.60087	0.3
93.54029	0.3
102.84070	0.3
121.06607	3.4
125.20827	0.3
146.58418	0.3
149.06104	5.0
187.07619	0.4
199.07542	0.3
201.09184	0.5
211.07642	0.7
213.09190	5.4
214.09756	0.6
225.09195	2.8
227.10861	0.5
239.10803	1.2
239.14464	0.4
241.15910	0.4
243.13994	1.5
251.10748	0.6
252.11484	0.8
253.12454	0.4
255.13867	1.6
257.15363	1.3
266.13190	0.5
267.13901	8.6
268.14316	0.6
269.15466	1.2
270.16150	0.6
279.13943	1.9
281.15472	0.7
285.15009	5.7
285.18579	37.6
286.15591	0.7
286.18921	3.2
297.15021	2.6
297.18573	22.6
298.18860	2.6
302.15198	0.5
313.18057	1.7
315.15955	30.1
315.19601	100.0
316.16302	2.2
316.19965	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	315.1968
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
59.47553	0.1
61.98828	0.2
66.05454	0.2
69.20598	1.0
84.26223	0.2
132.06493	0.2
149.06108	0.2
198.80968	0.2
201.09250	0.5
203.07172	0.9
214.10005	0.2
215.07155	0.6
216.07898	0.6
217.06854	0.3
217.08723	2.6
227.10844	0.8
229.08685	1.2
230.09389	0.3
231.10300	0.3
243.10397	0.5
257.11865	0.7
257.15326	0.3
283.17014	0.4
283.67227	0.2
285.15009	3.9
285.18613	6.5
286.15457	0.4
286.18872	0.5
299.16473	0.5
300.16983	0.3
315.19653	100.0
316.20007	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	315.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
64.56194	0.2
67.21275	0.2
69.64487	0.3
75.07554	0.2
90.57473	0.2
131.01389	0.2
133.64940	0.2
149.06104	0.3
163.07706	0.3
164.08456	1.5
165.09171	0.2
176.08487	0.3
177.09244	0.6
178.09993	0.4
179.07143	0.3
179.10739	0.3
189.09183	0.4
191.07193	0.2
195.63255	0.2
201.09236	0.6
215.10831	0.9
216.11539	0.2
229.08743	0.4
231.10300	0.4
239.10677	0.2
241.12291	0.2
243.10240	1.8
244.11014	2.1
253.12408	0.3
254.13190	0.2
254.16806	0.7
257.11899	0.8
257.15457	0.2
267.13904	1.0
269.15585	0.2
269.19153	0.6
271.17142	0.3
272.14233	0.6
272.17764	0.4
281.15512	4.2
282.16129	2.1
283.16843	0.4
285.15009	0.7
295.17117	0.5
297.18622	33.2
298.18994	3.3
299.16504	0.6
300.17255	0.8
315.19669	100.0
316.20013	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	315.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
74.47900	0.4
79.62116	0.4
84.96275	0.4
112.97611	0.4
113.89490	0.4
183.55197	0.4
201.09215	8.4
202.09494	0.9
203.10796	0.4
214.10014	2.5
216.11479	0.5
229.12468	0.4
255.13835	0.5
269.15601	0.6
270.16028	0.6
284.17502	1.1
285.18628	91.4
286.18930	7.9
304.31927	0.4
315.19666	100.0
316.19998	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	315.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18765	0.2
64.44366	0.2
66.43534	0.2
67.27676	0.2
71.17881	0.2
72.08044	0.2
78.14135	0.2
99.93149	0.2
111.25286	0.2
116.10378	0.1
125.18215	0.2
125.58561	0.2
163.07674	0.2
178.10001	0.4
190.09953	0.3
200.08354	0.2
201.09235	1.1
214.09967	0.7
215.10780	0.7
217.12453	0.2
227.10796	0.4
228.11548	0.8
229.08728	0.2
229.12294	0.6
230.13165	2.4
231.13623	0.3
243.13942	1.7
257.15372	0.2
272.36554	0.2
283.17090	0.4
284.17554	0.4
285.18628	8.9
286.19016	0.8
297.18585	0.7
299.16617	0.3
313.18246	0.4
315.19662	100.0
316.20013	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	315.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01254	0.3
65.32336	0.4
69.30377	2.0
83.85258	0.4
107.06167	0.3
113.99989	0.3
149.06100	0.5
162.06873	1.0
188.08446	0.5
201.09077	0.5
209.01173	0.4
213.09311	1.0
229.12335	9.1
230.12738	1.0
241.12376	3.3
246.99821	0.4
255.13936	0.7
256.14743	2.0
269.15631	1.0
270.15771	0.4
285.18622	41.1
286.18951	4.2
297.18613	14.9
298.19003	1.7
313.18048	2.5
315.19647	100.0
316.19989	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	315.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80550	1.0
59.01358	1.0
61.98838	1.8
63.88950	0.7
69.50570	0.9
69.50884	4.0
89.12712	0.8
98.21964	1.7
118.12820	0.9
121.06599	3.1
149.06131	4.8
170.88394	1.0
179.57130	0.8
200.08458	7.5
201.09164	1.8
211.07687	1.3
241.12378	75.2
242.12738	6.6
243.13991	1.9
257.15515	2.2
267.13995	4.4
271.20621	1.3
282.16125	1.4
285.14999	6.5
285.18597	2.2
297.15359	3.6
297.18619	99.8
298.18970	9.8
315.15988	27.1
315.19632	100.0
316.16168	2.8
316.20026	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	315.197
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.3
67.83913	0.2
71.01381	0.5
111.04594	0.2
135.08186	2.4
151.11331	1.5
163.07675	5.4
164.08351	0.2
186.10501	0.5
187.07706	0.5
191.10881	0.3
201.09207	2.7
202.09561	0.3
203.14423	1.6
212.12062	0.4
213.09319	0.3
213.12968	0.5
215.10770	1.3
217.07167	0.5
226.13660	0.6
227.10863	0.3
229.12405	0.7
231.13876	0.6
236.75804	0.2
239.14455	1.6
243.10280	0.3
243.17694	0.5
244.10992	0.6
252.50050	0.2
253.16068	0.4
254.16795	12.6
255.14598	0.2
255.17152	0.9
257.12024	0.2
257.15594	0.3
259.20798	0.5
267.13934	2.3
269.16153	0.5
269.19122	15.2
270.16913	0.2
270.19424	1.4
271.17102	1.1
271.20581	0.3
282.16287	8.1
283.16754	0.7
285.15189	0.5
285.18628	1.7
286.15686	0.6
287.20203	15.8
288.20520	1.4
297.18600	1.7
299.16458	0.3
315.19666	100.0
316.20016	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	315.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91268	0.3
63.18220	0.4
69.90820	1.0
72.72219	0.4
79.64259	0.4
86.23563	0.4
121.06559	0.4
135.11736	0.5
149.06026	0.6
150.66547	0.4
151.81407	0.4
178.25916	0.4
184.12354	0.4
200.08414	5.6
201.09195	1.9
226.10022	1.1
239.10849	0.5
240.11423	0.4
241.12350	78.9
242.12686	5.3
267.13901	1.4
271.17081	0.9
281.15399	0.4
285.15015	1.2
285.18610	2.9
297.18607	94.5
298.18945	9.2
314.18454	0.5
315.16339	4.8
315.19644	100.0
316.19992	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55659	0.3
65.55591	0.3
83.42801	0.2
96.67734	0.2
162.02829	0.3
173.67332	0.2
191.43187	0.3
195.36476	0.2
229.08685	2.6
229.35959	0.3
243.10306	1.0
244.11038	3.4
257.11880	0.4
285.15057	1.1
299.16544	1.0
300.02121	0.3
300.17215	1.5
315.19666	100.0
316.19986	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1966
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
66.75680	0.1
69.19322	0.7
76.69409	0.1
79.88108	0.1
93.07113	0.4
109.02911	0.2
117.73550	0.1
121.06602	5.2
122.06927	0.3
123.08166	0.3
137.09712	0.3
142.37430	0.1
149.06096	9.0
150.06454	0.3
164.08441	2.1
165.09178	0.8
165.68994	0.1
177.09268	0.3
181.08684	0.2
191.07155	0.3
196.07368	0.2
201.09119	0.4
202.06172	0.2
202.09920	0.2
204.07938	0.1
211.07686	0.3
211.14922	0.2
214.10081	0.3
215.10712	0.3
215.17874	0.1
217.08772	0.1
219.10193	0.2
229.08653	0.6
229.12325	0.2
231.10170	0.3
239.10776	0.2
241.15959	0.2
243.10281	2.4
243.13930	0.8
244.11029	3.5
245.11267	0.2
251.10800	0.2
251.14366	0.3
252.11371	0.2
253.16052	1.0
255.13902	0.4
257.11862	0.9
257.15540	0.9
267.13873	1.7
269.15399	0.2
271.16989	0.6
272.14127	0.9
272.17694	0.5
279.13885	0.4
282.16373	0.2
283.17105	0.2
285.15048	3.1
285.18195	0.2
286.15338	0.3
287.20001	0.2
297.14893	0.9
297.18225	0.3
299.16605	1.0
300.17294	1.4
314.18698	0.3
315.16003	19.0
315.19586	100.0
316.16312	1.6
316.19931	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	315.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45317	0.1
59.01390	0.1
69.83006	0.2
69.83395	0.2
73.09252	0.1
85.52940	0.1
87.26100	0.1
94.76959	0.1
121.06582	0.2
149.06041	0.3
151.07672	0.2
164.08479	0.4
201.09265	0.3
214.10013	2.8
215.10745	1.3
217.12288	0.3
227.10759	1.5
228.11438	1.2
239.03505	0.1
241.12364	0.2
243.13998	0.7
257.11884	0.2
257.15536	0.3
259.17056	2.0
267.13913	0.4
271.17105	0.2
281.15396	0.5
282.16345	0.7
283.17053	5.7
284.17206	0.5
285.15140	0.6
285.17813	0.1
297.15167	0.3
297.18619	0.4
299.16638	0.8
300.17102	1.0
315.19644	100.0
316.19989	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	315.1969
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
50.82759	0.2
60.36368	0.2
62.56619	0.2
69.77625	0.4
96.06161	0.2
98.22607	0.2
117.78335	0.2
123.94621	0.2
133.02919	0.2
161.02428	0.4
162.02814	0.3
163.02966	0.4
183.99290	0.2
200.04263	0.3
201.09232	0.5
202.78737	0.2
213.09137	0.4
214.10033	1.4
215.10622	0.3
216.03767	0.2
227.10834	4.0
228.03758	0.2
228.11293	0.3
244.03386	0.3
257.12094	0.2
271.02454	0.5
272.02890	2.5
274.00598	0.2
283.17068	5.4
284.17538	0.4
285.14981	0.3
299.16559	0.8
300.02313	3.4
300.32590	0.2
301.02649	0.4
315.04877	3.1
315.19675	100.0
316.20007	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	315.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99721	0.2
83.05056	0.2
87.79663	0.2
121.97552	0.2
130.14511	0.2
133.03093	0.2
135.03531	0.2
161.02470	0.3
162.02817	0.2
163.03091	0.3
175.09738	0.2
201.09285	0.2
203.10776	0.8
205.46088	0.2
215.10844	0.5
216.11588	1.8
217.12326	2.0
218.12753	0.8
229.12393	0.8
230.12813	0.3
243.13931	0.4
285.15079	1.4
298.15729	0.7
299.16525	1.7
300.17270	0.9
315.19662	100.0
316.20007	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	317.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09379	0.6
52.86715	0.6
59.01383	14.0
65.44915	0.6
72.99307	0.7
78.95012	0.6
85.06596	33.9
86.06918	0.7
86.53169	0.7
87.00886	10.7
91.95818	0.6
98.21820	1.6
99.08154	1.0
103.00380	5.9
105.01762	0.8
106.71277	0.6
112.98829	10.7
130.99925	1.5
135.00264	0.8
149.00943	4.2
171.76173	0.6
185.11844	100.0
186.12169	4.0
237.98393	0.6
317.12302	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	317.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01385	20.9
69.34461	2.8
72.99318	1.5
84.99297	1.0
87.00881	13.9
103.00381	9.0
109.02944	0.8
112.98820	14.5
113.99200	0.9
125.09720	1.8
130.99867	2.1
135.04564	0.8
139.11278	1.5
141.09212	2.2
149.00989	1.5
185.11853	100.0
186.12224	3.9
221.21909	0.8
273.12460	1.8
305.44501	0.7
317.07098	0.8
317.12576	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	317.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.6
70.74602	0.8
72.99316	0.9
84.62722	0.6
84.99308	0.8
87.00891	10.7
103.00381	8.7
112.98071	1.1
112.98825	15.1
124.36522	0.5
127.07680	0.7
130.99858	1.6
134.13196	0.7
139.11299	3.7
140.11534	0.6
149.00943	2.1
185.11844	100.0
186.12204	4.9
265.81921	0.6
317.12292	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	317.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02823	0.4
69.45624	1.6
79.05602	0.4
93.07133	2.1
100.90337	0.4
103.27259	0.4
105.07121	0.8
109.02962	1.5
109.06612	1.1
121.06616	4.6
122.43997	0.4
123.04474	0.5
123.08163	1.0
125.09729	2.3
133.06628	1.5
135.08214	0.5
137.06145	0.4
137.09756	0.4
145.06601	0.8
147.08125	0.4
149.06104	16.2
150.06387	0.5
151.07614	0.4
152.14838	0.4
157.06577	0.5
159.04521	0.6
159.08189	0.6
159.11861	0.7
160.08952	1.8
161.06129	2.6
161.09674	0.8
162.06812	0.7
163.07651	1.6
169.10287	0.5
172.05206	0.9
173.06107	3.5
174.06686	0.4
175.07637	0.8
187.07677	1.3
187.11351	0.7
188.08397	2.3
189.09123	0.8
197.13380	3.9
215.10756	0.9
215.14441	0.7
215.18091	0.6
225.09244	1.3
225.12885	0.5
225.16508	1.2
228.15187	0.7
229.15942	0.7
241.12390	0.7
243.13829	0.5
243.17592	4.0
253.15997	2.5
256.14618	1.6
257.15436	0.8
260.95602	0.4
263.14413	0.7
269.15491	0.4
271.17072	19.3
272.17355	1.7
281.15491	10.6
282.15860	1.1
284.80579	0.4
287.16565	1.9
299.16562	83.3
300.16898	7.2
317.17603	100.0
318.17938	10.6
318.21671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1973
Annotation	oscr#16
Peak:m/z	Relative Intensity
57.03448	2.7
59.01385	100.0
60.69094	0.5
61.59113	0.5
69.18250	2.7
70.04624	0.5
71.05018	1.3
72.34381	0.5
73.02954	1.4
84.02138	0.6
85.03001	0.6
87.04533	0.8
97.06602	3.8
99.04562	0.9
99.08171	9.5
101.06098	1.4
115.65775	0.5
127.11309	10.3
127.12192	0.8
128.11635	0.6
131.07167	1.3
137.09729	2.0
139.11307	29.7
140.11659	1.4
145.49652	0.6
155.10791	2.9
157.08727	0.8
157.12357	27.2
158.12730	1.3
159.06665	0.8
183.13771	0.6
239.16425	2.7
257.17670	1.0
299.18591	3.7
317.19748	64.5
318.19995	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	317.2126
Annotation	7alpha,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one
Peak:m/z	Relative Intensity
76.18844	0.9
87.16676	0.9
92.85439	0.9
109.67208	1.0
138.95337	1.1
186.82338	0.9
215.10796	1.3
284.17679	2.4
299.20184	100.0
300.20554	10.7
316.99417	1.2
317.21228	56.9
318.21576	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	317.2125
Annotation	(plusmn)12-HEPE
Peak:m/z	Relative Intensity
61.98845	1.7
69.10884	1.7
69.11294	5.3
75.66253	1.1
76.70472	1.1
85.00429	1.3
98.21914	3.0
99.92591	2.4
116.92871	2.9
132.14600	1.1
151.91023	1.1
164.08455	4.1
178.10034	3.5
179.10803	43.5
180.11205	2.1
299.20224	6.9
316.99261	3.6
317.21234	100.0
318.21533	9.8
333.17828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2129
Annotation	Excoecarin D
Peak:m/z	Relative Intensity
52.53894	2.7
56.02335	2.4
59.01356	3.1
61.98832	3.9
69.90204	6.0
69.90596	5.0
98.22608	2.9
101.35686	2.7
110.70200	2.8
116.92870	6.3
122.93996	2.5
137.43321	2.8
168.10466	2.6
180.06395	2.8
182.32394	2.6
244.14644	4.0
275.63470	2.4
287.20197	86.7
288.20605	8.5
316.99438	9.3
317.21201	100.0
318.21591	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	317.2126
Annotation	(plusmn)18-HEPE
Peak:m/z	Relative Intensity
52.63495	0.3
57.65717	0.3
61.98838	0.5
68.48845	0.3
69.25430	1.5
92.92860	0.3
94.92553	0.4
97.87885	0.3
104.57700	0.3
105.26511	0.3
116.92892	1.2
143.88734	0.3
174.84743	0.3
179.10822	1.1
233.10425	0.8
244.14287	0.6
259.12131	2.0
259.17053	14.3
260.17468	1.1
270.52078	0.3
274.76880	0.3
276.70773	0.3
284.17227	0.4
287.20395	1.5
293.62524	0.3
299.16745	1.1
299.20166	18.3
300.20505	1.4
301.18304	2.7
302.18484	3.5
317.21228	100.0
318.21594	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	317.2124
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
50.06600	0.1
67.98698	0.1
69.83021	0.2
87.06334	0.1
153.00217	0.2
180.99698	0.2
184.68582	0.1
203.10814	0.2
215.10712	0.1
216.11552	0.7
217.12144	0.2
229.12332	0.5
230.12839	0.3
233.11858	0.2
240.36075	0.1
284.17755	0.2
285.18588	2.7
286.19083	0.2
287.16565	0.5
299.20139	0.2
301.17996	0.7
302.18448	0.8
317.21219	100.0
318.21567	10.3
318.25537	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	319.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	8.6
58.94211	0.9
59.01388	4.9
65.33574	0.9
65.48981	1.0
69.27297	2.7
69.27689	1.8
71.01400	0.9
72.00914	5.3
72.99293	2.1
73.02254	0.9
82.06639	3.8
91.05547	26.5
101.02451	1.0
112.07687	4.7
118.06645	3.0
126.09224	1.4
129.10361	88.8
130.10703	2.3
133.14937	1.0
135.04518	1.0
147.04547	32.2
148.04842	1.4
153.10345	5.5
154.08768	11.8
154.76390	1.0
164.07184	76.7
165.07533	3.1
171.11415	62.8
183.11310	1.6
233.16615	39.4
234.17050	2.2
248.16251	0.9
275.17633	6.2
277.15625	2.2
319.02545	2.0
319.16663	100.0
320.17004	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	319.2282
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.25069	0.8
59.01398	0.9
61.98829	2.4
70.32761	1.7
71.57234	0.7
72.99312	1.7
81.98113	0.7
91.08318	0.7
92.92801	1.5
98.21947	1.0
103.01518	1.0
116.92900	1.6
118.94218	1.1
119.94698	1.4
121.72909	0.7
176.90193	1.0
218.86755	1.4
224.37090	0.9
238.42596	0.8
238.83713	1.4
273.22281	6.7
274.22781	1.1
301.21140	0.8
319.22806	100.0
320.23166	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	319.2281
Annotation	(plusmn)18-HETE
Peak:m/z	Relative Intensity
54.79453	1.6
60.31738	1.5
70.33070	3.7
70.33401	2.5
71.05032	4.7
77.41918	2.1
79.02608	1.6
82.05498	1.7
97.84431	1.8
116.74063	2.2
116.92893	2.2
118.94243	2.2
125.06135	5.5
125.70547	2.0
131.09430	1.9
137.09761	5.4
139.11310	3.8
147.02824	1.8
151.07559	1.9
151.11327	5.5
218.86580	2.0
257.22845	5.3
301.20923	4.2
319.02408	2.9
319.22833	100.0
320.23239	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19088	0.2
64.36380	0.2
67.20013	0.2
69.88364	0.6
79.95752	0.7
106.98132	0.2
233.15623	0.3
241.42149	0.2
260.87354	0.4
301.21609	0.3
319.02658	0.6
319.22800	100.0
320.19040	1.6
320.23087	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	319.2283
Annotation	19S-HETE
Peak:m/z	Relative Intensity
61.98835	0.3
62.39096	0.2
69.22966	0.2
70.55983	0.3
77.38857	0.2
78.26924	0.2
79.95724	0.3
87.86383	0.2
93.92928	0.2
94.92501	0.3
106.98079	0.2
137.09738	0.3
210.32384	0.2
222.74260	0.2
260.87451	0.3
301.21976	0.3
311.77939	0.2
319.22809	100.0
320.19119	0.5
320.23132	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	319.2282
Annotation	19S-HETE
Peak:m/z	Relative Intensity
60.48969	0.2
63.31160	0.2
69.74588	0.5
83.32057	0.2
85.37760	0.2
92.82577	0.2
98.21942	0.3
145.28676	0.2
147.94148	0.2
178.16545	0.2
203.82069	0.2
243.74774	0.2
319.22803	100.0
319.62372	0.2
320.23138	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	319.2282
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.07409	0.9
70.32738	1.3
70.33067	1.5
93.41875	0.9
99.79419	1.1
157.17239	1.1
278.26727	1.1
319.02554	2.3
319.22803	100.0
320.23126	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01738	0.9
71.01401	2.7
89.02456	3.7
98.21819	1.7
101.02461	1.3
113.02487	1.1
119.03549	1.2
142.57245	0.9
161.72235	0.8
194.47263	0.8
237.12308	0.8
249.05836	1.0
251.03569	1.2
265.05026	1.3
279.02979	2.2
292.03699	0.8
293.04666	2.0
303.03006	1.1
321.04077	12.8
322.04489	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88736	0.6
55.01880	1.3
57.03458	0.7
58.00614	1.1
59.01388	100.0
60.01727	1.5
62.61920	0.6
69.36471	2.6
71.01393	44.8
71.05054	0.9
72.01781	0.8
72.99335	2.0
73.02966	1.9
83.01402	2.3
85.02953	9.5
87.00904	0.8
89.02457	42.3
89.14841	0.6
95.01409	3.0
101.02454	30.3
109.02983	0.9
113.02468	14.4
113.09762	2.4
114.02835	0.7
119.03519	23.7
128.38483	0.6
131.03568	1.7
141.09248	14.2
143.03552	2.1
149.04611	1.5
151.04117	1.0
159.10294	5.5
161.02531	1.1
161.04622	1.1
179.05653	1.8
179.66949	0.6
199.98975	0.7
263.03540	0.6
321.04111	5.1
321.15564	85.5
322.15866	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	321.1709
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
50.00885	4.9
51.91288	4.6
57.03449	8.0
69.15482	34.1
71.04996	6.1
81.03460	6.5
85.90938	4.7
93.03468	10.7
95.05040	63.0
97.06596	11.2
109.06591	7.7
123.08130	14.7
125.09721	58.1
151.07671	100.0
162.25002	5.0
185.11803	19.3
219.13777	7.5
221.11848	10.6
223.33075	5.1
241.50812	5.4
265.14447	25.7
303.15955	11.3
321.16928	27.1
321.70343	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	321.2435
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
51.97316	0.7
56.50843	0.7
101.93493	0.7
181.66574	0.8
205.16060	1.1
279.02988	2.6
291.23334	0.9
303.23380	1.2
321.04074	3.8
321.24377	100.0
322.24738	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	321.2437
Annotation	ent-3alpha,4alpha-Epoxy-15-clerodanoic acid
Peak:m/z	Relative Intensity
61.98835	4.2
64.08082	1.1
93.03492	1.3
119.94729	2.5
125.09741	3.0
153.12907	1.4
166.03250	1.0
195.13977	1.4
201.69876	1.0
234.06760	1.2
259.97162	1.1
268.51401	1.2
277.25385	100.0
278.25754	9.2
279.02850	1.3
311.12234	1.1
321.04068	1.6
321.24362	44.8
322.24789	3.9
323.45633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79917	0.6
57.99113	0.6
59.01384	24.1
70.72298	1.0
71.01395	3.7
72.00912	24.3
78.59003	0.6
89.02442	3.3
91.05531	1.2
101.02459	2.2
103.05554	2.5
109.38221	0.7
113.02465	1.7
119.03501	1.1
122.02507	0.7
137.50075	0.7
140.46086	0.7
141.98244	8.2
142.90350	0.6
147.04535	65.5
148.04849	2.6
161.04565	0.7
164.07181	100.0
165.07590	4.3
174.99298	2.0
176.30234	0.6
179.05655	0.7
179.69868	0.6
181.92346	0.6
187.98792	7.3
229.99872	1.4
322.06107	81.6
323.06473	4.8
323.13614	3.1
344.80365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77214	0.6
59.01379	2.9
70.18289	1.0
70.18594	0.7
71.01377	0.7
74.09423	0.6
82.02990	0.9
84.04543	0.7
101.02418	0.8
101.06104	0.8
102.05618	38.3
103.05959	0.6
107.05096	0.6
110.06102	0.7
114.05625	1.5
117.03455	1.6
120.05365	0.6
128.03552	49.8
132.02174	1.9
133.03018	0.9
134.03761	50.2
135.04440	1.1
146.04607	100.0
147.04921	2.0
148.05324	0.9
149.06091	26.3
150.06468	0.9
160.01672	10.0
160.06181	2.7
161.02487	3.3
161.49030	0.6
162.03125	1.3
172.02521	1.7
175.04016	19.8
177.05511	1.3
193.05074	16.3
204.06581	0.9
232.09877	4.4
245.06984	0.9
260.09335	1.5
278.10382	3.9
281.85754	0.7
304.08322	10.2
305.08530	1.0
322.09338	21.7
323.09735	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98836	33.8
70.93314	3.0
71.01382	10.6
73.02943	5.7
85.02946	4.7
89.02451	10.5
101.02447	8.0
113.02435	6.9
117.05589	36.7
119.03522	4.9
136.94008	5.2
145.08701	2.8
149.24715	2.3
151.43608	2.5
159.01530	4.1
161.04597	4.5
164.07161	9.7
174.99318	2.6
177.98340	4.5
178.95137	4.8
178.97813	29.8
179.95561	38.3
179.97917	14.4
180.94040	3.3
180.97626	8.6
196.85980	2.4
222.88913	2.7
279.96078	3.2
321.96533	4.4
322.06036	11.9
323.13620	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	322.2028
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02984	2.1
63.96164	0.2
69.82357	0.7
80.69504	0.2
81.03464	0.5
95.05051	0.7
97.06588	0.4
98.21901	0.3
109.06633	0.5
128.09879	0.4
128.10828	7.6
130.08755	100.0
131.09091	3.0
165.12895	0.8
172.09848	0.7
264.03583	0.3
322.20258	30.7
323.20612	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.4
58.00570	1.8
59.01385	100.0
69.03467	22.7
71.01391	51.9
72.99302	3.2
73.02953	1.7
75.77213	1.4
76.82752	1.4
83.01366	3.2
85.02953	10.6
87.00872	2.3
89.02455	51.6
95.01400	4.6
97.02958	4.6
98.22709	2.8
99.00873	5.8
101.02451	33.8
113.02468	20.6
119.03512	24.4
121.02944	3.9
123.04526	1.4
125.02418	2.6
131.03516	3.2
135.04547	2.8
141.01996	2.3
143.03473	4.8
159.03012	3.3
161.04504	3.2
176.24921	1.4
179.03499	3.0
179.05588	5.1
179.07269	1.3
185.00888	6.5
187.24345	1.5
204.34846	1.5
223.25723	1.5
231.81252	1.6
270.68207	1.4
323.09860	12.0
323.13440	69.9
324.13727	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01736	0.9
61.98841	7.6
66.42032	0.7
69.75649	2.3
71.01394	6.3
73.02957	4.4
76.02026	0.7
85.02972	1.8
89.02467	3.1
101.02470	3.0
101.06126	1.0
113.02469	2.8
119.03529	1.8
126.67450	0.7
127.41956	0.8
136.94102	0.7
136.96736	0.8
138.93727	0.8
143.13562	0.8
161.04611	2.7
166.46294	0.7
178.97816	7.8
179.95642	3.2
179.98032	1.5
180.97481	4.7
181.95351	1.9
195.96194	0.8
263.04218	1.1
263.11481	0.8
280.95874	0.9
322.96225	1.2
323.09985	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	323.1867
Annotation	Hynapene A
Peak:m/z	Relative Intensity
59.01370	3.9
69.36200	9.0
71.05027	2.3
80.02666	1.9
83.05024	9.5
95.05054	2.7
97.06593	3.4
99.04596	1.9
104.96863	1.8
107.05046	14.8
107.50632	1.7
109.06594	3.1
116.06700	1.7
121.02981	3.3
125.06107	3.9
125.09762	6.3
135.08208	6.1
149.26129	1.8
153.09222	13.0
163.11285	8.5
165.09401	2.0
165.12833	3.9
176.08443	3.9
178.10025	2.7
185.11826	2.2
191.10645	2.0
197.11794	12.4
207.10321	7.7
209.11841	100.0
210.12206	5.6
225.11369	5.9
261.18622	6.7
263.16522	2.3
277.17819	1.8
279.19693	3.4
279.27762	1.9
287.16507	10.7
305.17596	79.0
305.21240	15.8
306.18002	7.5
323.02036	3.5
323.18610	12.3
323.22092	3.0
341.14746	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.223
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
61.79372	0.5
71.01471	0.5
71.32373	0.4
71.38261	0.4
71.41280	0.5
74.69048	0.4
83.05099	0.6
96.96017	2.6
102.66271	0.5
119.03537	0.5
123.04610	1.2
124.05376	0.6
137.06120	1.0
137.09846	0.8
156.04311	0.5
163.11360	0.5
165.09343	1.8
165.12944	1.6
189.12939	0.7
191.14479	0.7
191.46255	0.5
193.12527	0.6
207.13899	0.5
237.14964	0.6
261.22278	4.6
265.14816	2.8
279.23434	1.0
287.20279	1.0
305.21255	100.0
306.21567	9.2
323.10046	0.8
323.16635	1.1
323.22293	19.4
324.22684	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2232
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01376	2.8
61.98828	1.8
63.35100	1.6
70.01392	1.7
70.84933	1.9
72.76305	1.7
81.34415	1.7
123.04575	1.8
148.06340	1.5
165.09160	2.7
225.05011	1.5
244.46518	1.8
261.22223	5.9
267.23499	1.9
269.15259	1.7
271.70795	1.9
305.21255	100.0
306.21637	12.5
323.05548	3.4
323.22269	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	324.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72988	3.9
59.98068	3.5
62.51118	3.4
65.43520	3.3
149.09830	3.7
149.22421	3.7
154.15207	4.3
166.00038	3.6
183.01212	50.0
184.02029	5.8
197.02760	4.8
212.48650	3.7
261.53729	4.3
310.80988	3.8
312.34741	3.8
325.07285	7.4
325.18423	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	325.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83569	0.4
57.03453	2.0
59.01385	17.8
64.56497	0.4
71.01397	2.2
71.71736	0.4
73.02946	0.7
73.06640	0.4
76.39001	0.4
83.01382	1.0
85.02959	0.6
87.00890	0.9
89.02450	1.5
101.02456	26.4
102.02750	0.5
109.02913	0.6
112.98821	0.6
115.02547	2.2
117.00444	2.0
119.03530	0.7
131.02017	3.1
134.03757	4.4
139.02544	3.3
140.02068	1.5
141.00461	10.1
145.06204	0.6
153.00456	0.5
156.99973	0.7
157.03583	31.0
158.03714	2.3
161.04544	1.3
163.06062	1.0
165.99962	0.5
168.01523	1.8
178.02734	0.5
183.01503	100.0
184.00989	39.0
193.05078	5.4
193.06926	0.7
195.01622	0.8
199.01126	0.5
201.02571	8.4
210.02600	1.9
227.00491	1.6
243.03610	20.4
244.03792	2.0
244.06607	0.6
265.01434	1.1
308.01096	0.5
325.02634	1.0
325.11270	2.3
326.02399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10851	0.8
52.79581	0.7
59.01389	8.4
69.05220	0.8
69.12415	2.7
69.12839	2.6
72.99296	3.3
80.90731	0.9
82.83638	0.8
87.00887	9.3
89.03972	1.6
103.00381	3.6
112.98837	6.4
117.03485	6.3
118.94743	0.8
119.05032	11.0
134.03755	100.0
135.04080	3.4
145.02940	1.8
148.99731	1.4
149.00925	29.1
149.06061	4.4
163.04024	8.1
173.59930	0.8
178.02650	2.0
193.05074	97.1
194.05412	4.9
210.36279	0.8
268.75522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.0
68.07434	0.9
69.55730	3.1
70.70128	0.9
71.01411	1.0
72.99310	4.3
87.00885	10.2
89.03960	1.8
98.22581	1.5
103.00409	3.0
112.98838	2.3
117.03503	5.3
119.05037	42.9
120.05386	1.7
134.03752	100.0
135.04068	3.7
135.83133	0.9
145.02965	4.3
149.00929	42.8
149.06085	4.1
163.04025	31.5
164.04338	1.5
172.14899	1.0
177.01820	1.0
178.02690	1.4
193.05077	92.1
194.05389	4.1
203.75400	0.9
205.02155	1.0
344.64346	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0568
Annotation	trans-fertaric acid
Peak:m/z	Relative Intensity
59.01385	11.8
61.52574	0.5
64.59694	0.6
69.19414	0.5
69.36296	2.8
71.01396	0.5
72.99332	1.6
75.00872	0.9
76.20479	0.5
87.00879	9.0
89.02489	0.5
89.03977	2.9
103.00368	4.4
112.71509	0.6
112.98821	13.9
113.86377	0.5
117.03482	8.5
118.03896	0.6
119.05064	2.8
130.99878	0.9
134.03757	86.5
135.04066	3.4
137.02435	0.7
145.02989	2.3
149.00917	1.7
149.06093	8.2
151.82185	0.6
161.06102	0.6
163.04004	3.2
178.02760	4.5
179.05687	1.4
193.05074	100.0
194.05391	5.6
253.05035	0.8
265.07202	1.1
281.04559	0.7
282.05298	0.8
297.07819	1.0
325.06943	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.1
60.03086	0.6
61.61818	0.6
62.05481	0.5
69.52555	1.2
69.52952	1.5
72.62008	0.6
72.99310	0.8
84.99336	0.9
87.00884	9.8
89.03991	1.7
97.07321	0.6
98.21722	0.7
103.00384	5.0
106.04210	0.7
112.98822	11.0
117.03477	7.2
130.43825	0.7
131.02031	1.0
134.03757	79.0
135.04103	2.5
137.31583	0.6
139.03990	0.7
148.64563	0.6
149.00925	4.8
149.06105	5.9
178.02699	4.1
179.85339	0.7
193.05077	100.0
194.05438	5.7
218.25719	0.8
280.22684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	trans-fertaric acid
Peak:m/z	Relative Intensity
59.01382	13.3
60.69926	1.0
60.74478	0.7
66.16148	0.6
69.90831	2.1
72.99310	0.9
73.86359	0.6
84.99316	1.5
87.00880	8.9
89.03976	2.2
98.21938	1.4
103.00365	4.7
103.59347	0.7
112.76308	0.7
112.98816	13.5
117.03482	8.2
119.05043	5.8
130.99840	0.9
134.03755	82.6
135.04050	3.4
149.00923	1.4
149.06108	6.7
163.04002	3.5
178.02742	3.9
193.05072	100.0
194.05363	5.1
237.48827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0568
Annotation	trans-fertaric acid
Peak:m/z	Relative Intensity
59.01384	11.2
70.73381	0.7
72.99310	0.7
84.99321	0.9
87.00889	9.0
89.03984	2.4
96.47405	0.5
101.00918	0.6
103.00389	4.6
106.04241	0.6
112.98814	11.6
117.00429	1.5
117.03482	7.8
130.99879	0.7
131.02042	1.9
134.03754	83.1
135.04076	3.4
149.00908	4.4
149.06088	6.7
161.48285	0.5
163.06125	1.5
173.03038	0.6
178.02754	3.9
193.05074	100.0
194.05466	4.1
227.00507	1.2
325.05643	1.2
325.11551	0.6
341.42319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41806	0.7
59.01387	12.9
61.12212	0.7
69.59473	1.6
69.59839	1.5
71.82764	0.9
76.05238	0.7
77.90358	0.8
87.00880	7.9
89.03975	2.1
91.25810	0.6
100.65106	0.7
103.00393	4.2
109.48818	0.9
112.98827	10.8
117.03476	7.7
119.05039	29.0
120.05385	0.8
130.99883	1.2
134.03754	77.5
135.04106	2.2
135.19054	0.8
149.00920	2.4
149.06091	5.5
163.04019	20.2
178.02708	2.5
193.05070	100.0
194.05394	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	325.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11097	0.5
57.40723	0.5
63.67915	0.6
69.09737	3.8
93.03376	0.6
109.02937	0.9
134.03714	1.1
135.04576	3.2
145.01845	1.0
145.02957	11.8
147.04582	0.8
158.03740	0.9
160.01657	4.1
161.02396	2.1
163.04123	0.6
173.02452	29.9
174.02934	1.8
181.06624	0.6
185.02454	1.0
188.01189	2.7
190.18777	0.5
193.05045	1.5
196.05325	0.5
197.06126	1.8
200.01140	1.1
201.01976	8.8
208.05321	0.9
209.06152	2.8
211.04024	1.8
219.14069	0.7
223.04089	1.4
224.04745	1.1
225.05557	7.1
226.06013	1.5
235.03976	1.3
236.04810	1.8
237.05545	4.6
237.09171	1.0
237.15047	0.6
238.06122	0.5
239.03542	3.6
248.04820	0.8
249.05597	1.1
251.03502	1.5
252.04247	2.0
253.05066	15.1
254.05782	5.3
255.06433	0.7
263.03476	3.9
263.07077	0.7
264.04263	7.3
265.05066	7.9
266.05835	4.7
267.02921	1.1
267.06485	0.7
276.04324	4.2
277.04883	0.7
279.03064	1.9
280.03784	6.5
281.04565	87.5
282.05252	21.2
291.02988	3.3
292.03912	3.0
293.04590	14.2
294.05170	3.6
295.06070	1.1
309.04059	12.9
310.04852	29.7
311.05234	1.6
325.07187	100.0
326.07544	9.5
329.45163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
93.31354	0.4
108.02175	0.8
108.44811	0.4
109.02933	0.9
111.58739	0.5
121.02991	0.4
123.01565	0.5
134.49637	0.4
135.00874	0.5
135.04526	1.6
145.02974	8.4
158.03754	0.8
160.01678	3.0
161.02452	1.6
173.02455	25.2
174.03096	1.6
175.11264	0.6
183.04553	0.6
185.02444	0.7
188.01152	2.3
190.02722	0.5
197.06007	1.2
197.99371	0.5
200.01146	0.4
201.01950	7.3
205.12404	0.5
207.04504	0.5
207.77376	0.5
208.05353	0.7
209.06137	2.0
209.48837	0.5
211.03996	1.2
216.30328	0.4
221.06023	0.6
223.03983	1.1
224.04630	0.7
225.05594	6.0
226.06200	0.8
235.04036	1.0
236.04768	1.7
237.05565	2.7
237.09325	0.9
237.14882	0.5
238.06332	0.4
239.03523	3.3
240.03970	0.5
248.04974	0.5
249.05527	0.4
249.11330	1.0
251.03558	1.0
252.04228	1.4
253.05075	13.6
254.05836	4.3
255.06128	0.4
263.03430	2.9
264.04248	5.7
265.05035	5.9
266.05777	3.9
267.02972	1.0
276.04291	3.0
277.04929	0.8
279.02942	1.0
280.03784	3.7
281.04565	73.6
282.05243	16.5
283.05750	1.0
291.03003	3.0
292.03702	2.9
293.04575	14.5
294.05234	2.9
295.06064	0.9
309.04044	10.2
310.04840	24.1
311.05292	1.5
325.07178	100.0
326.07541	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0722
Annotation	Fluostatin B
Peak:m/z	Relative Intensity
54.47513	0.8
57.14621	0.7
57.22154	1.0
59.01403	1.3
67.34544	0.9
70.66819	0.9
71.41689	0.9
102.98642	0.9
134.03734	1.4
149.17613	0.8
179.08847	0.8
195.04472	1.1
207.08118	1.4
208.05280	3.1
223.07645	7.9
224.04697	1.4
235.07640	4.0
238.06335	1.1
239.03508	1.6
241.08699	1.6
250.06322	1.0
251.07132	3.4
252.04343	3.8
252.07983	1.2
253.05135	2.0
253.08699	2.0
255.06593	1.1
263.07016	1.0
265.04932	2.1
266.06006	1.3
267.06638	26.4
268.03812	7.8
268.06808	2.1
269.08148	1.3
278.05817	10.0
279.06641	23.1
280.06943	1.4
281.04562	3.5
281.07831	1.9
282.05240	2.2
294.05356	2.0
295.06125	22.0
295.09406	1.6
296.06870	20.3
297.07675	18.5
298.08066	1.3
299.09198	3.1
307.06119	4.1
313.07220	1.2
325.07193	100.0
326.07562	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	325.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.7
59.01387	0.7
62.70491	0.5
109.02976	0.6
128.18913	0.5
165.22980	0.5
181.06651	0.8
193.05084	0.6
193.10226	0.7
209.09702	2.9
237.09225	100.0
238.09529	7.0
251.03326	0.6
281.04761	0.7
281.08145	2.7
281.11325	0.8
282.08261	0.6
302.06116	0.5
313.15402	0.8
325.03488	1.0
325.07172	2.0
325.10617	0.6
325.16595	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	325.072
Annotation	Fluostatin B
Peak:m/z	Relative Intensity
57.14620	0.6
59.01381	1.3
68.52445	0.6
71.71335	0.7
73.88747	0.6
95.77853	0.6
98.22707	1.6
134.03708	1.7
161.06056	0.6
163.22052	0.7
171.79990	0.7
180.06020	0.6
193.05074	2.4
199.19838	0.6
208.05281	2.6
223.07625	7.0
234.06818	0.9
235.07655	3.6
236.04668	0.8
237.05804	0.9
239.03630	2.0
241.08754	1.5
250.06271	1.3
251.07173	3.2
252.04292	3.0
252.07910	1.4
253.05000	2.2
253.08737	1.6
255.06685	1.0
263.07199	1.0
264.04382	1.0
265.05115	2.0
266.05667	0.8
267.03714	1.4
267.06635	21.7
268.03812	7.3
268.07050	2.0
269.04166	0.7
277.04944	2.0
278.05841	9.7
279.06625	19.1
280.06796	0.8
281.04681	2.8
281.08240	2.1
282.05414	2.0
283.06146	1.2
294.05310	1.6
295.06131	19.2
296.06879	20.9
297.04315	1.1
297.07681	18.6
299.09259	2.5
307.06262	3.7
325.07196	100.0
326.07501	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	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19946	0.2
57.03443	0.3
59.01384	11.5
59.60012	0.2
67.65662	0.2
69.62893	0.5
71.01390	3.0
79.20016	0.2
80.07881	0.2
81.87277	0.2
82.47997	0.2
85.02950	0.5
87.00896	0.3
89.02453	2.1
95.05045	0.5
99.04560	0.2
101.02453	1.4
109.36392	0.2
112.98877	0.3
113.02468	0.8
113.06168	0.3
117.03478	21.3
118.03808	0.7
119.03513	0.5
119.05036	5.6
120.05400	0.2
133.06609	0.6
134.03749	2.6
145.02966	100.0
146.03307	4.6
149.06032	0.3
159.04533	0.7
161.06116	2.0
163.04027	8.8
163.05405	0.4
164.04401	0.5
165.09235	0.4
177.05664	0.3
187.04013	2.9
193.05084	2.3
205.05052	1.8
235.06158	0.7
263.78351	0.2
265.07190	2.2
283.15549	0.7
325.09259	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	Bilobalide
Peak:m/z	Relative Intensity
51.22208	2.0
57.03457	2.7
59.01373	4.7
67.55954	1.7
70.54711	1.9
71.01372	2.0
72.99315	2.2
79.05527	2.3
81.18956	2.2
83.05036	2.2
85.02952	5.8
87.00842	2.0
90.98598	2.2
93.07124	4.8
113.02479	8.9
119.05045	9.5
121.02982	3.8
134.03709	5.3
135.04538	3.1
149.02470	3.7
151.03978	2.4
157.32819	1.7
161.02509	2.3
175.11310	13.8
191.10764	5.0
193.05069	6.2
193.12355	100.0
194.12691	7.0
209.06046	2.5
219.10272	18.4
237.05504	4.2
237.11305	33.3
253.05016	4.6
263.09256	66.6
264.09573	4.7
281.04764	4.8
281.10342	28.2
281.13486	3.0
293.04410	2.0
307.08255	5.9
310.08414	2.2
325.03339	4.5
325.09238	47.4
325.12906	12.6
325.16385	3.2
326.09866	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	325.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64983	0.6
57.11259	0.6
59.01370	5.1
65.42042	0.7
69.83747	1.8
69.84087	1.0
71.01376	0.9
87.00894	0.8
90.79514	0.6
93.03442	0.7
112.98826	1.3
113.02491	0.8
117.03497	6.6
119.05039	100.0
120.05369	4.5
131.25020	0.6
134.03761	8.8
145.02971	28.0
146.03322	1.3
149.00961	0.8
149.06085	0.8
159.04437	0.8
163.04025	76.6
164.04369	2.8
178.02771	1.0
187.04028	3.2
193.05043	9.9
193.06493	1.0
325.09308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37868	0.3
59.01386	6.7
61.75652	0.3
69.82069	1.1
71.01389	2.4
72.37702	0.3
74.38531	0.3
80.83450	0.3
85.02955	1.0
89.02457	2.4
92.89908	0.3
98.22004	0.5
101.02454	0.8
106.10883	0.4
113.02467	1.2
117.03477	18.9
118.03778	0.8
119.03542	0.9
119.05038	11.3
133.06679	0.5
145.02971	100.0
146.03308	4.8
149.00879	0.3
159.04509	0.5
161.06113	1.4
163.04027	8.8
164.04373	0.6
187.04036	2.8
191.45308	0.3
205.05090	1.1
209.35660	0.4
236.00362	0.4
265.07208	1.4
268.51651	0.3
325.09290	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.5
70.18155	0.7
71.01389	3.7
71.41346	0.8
87.00908	1.2
89.02467	2.5
101.02427	0.8
102.10616	0.7
108.57136	0.7
113.02431	1.8
117.03484	19.9
118.03847	0.8
119.05051	5.7
134.03748	3.9
134.12120	0.7
135.04550	0.9
145.02974	100.0
145.89130	1.0
146.03285	4.4
149.06177	0.8
149.09772	0.9
159.04414	0.8
161.06059	1.3
162.89378	1.6
163.04013	8.2
183.08325	0.8
187.04050	3.3
193.05058	4.2
205.05081	1.1
237.05801	0.7
249.98041	0.8
259.61743	0.7
263.12747	0.8
265.07239	1.5
281.10315	0.9
324.92538	1.2
325.09351	6.4
325.12894	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43803	1.5
59.01383	34.6
59.74253	1.4
71.01382	11.6
85.02943	2.2
89.02470	7.7
93.03455	1.9
101.02467	5.3
113.02477	4.4
117.03475	22.5
118.04253	2.6
119.03629	2.8
119.05041	77.7
120.05358	2.4
132.05801	2.3
133.06610	17.2
134.03752	6.5
144.76822	1.6
145.02965	100.0
146.03288	4.1
149.00978	1.7
159.04501	2.2
161.06104	36.2
162.06479	1.7
163.04024	68.3
163.05411	3.3
164.04410	1.9
165.00859	1.3
177.05560	8.1
187.04016	3.9
190.02827	1.6
193.05067	5.7
205.05069	44.1
206.05560	3.0
217.05040	1.9
235.06119	30.2
236.06683	1.9
265.07181	67.9
266.07544	4.5
315.61957	1.4
325.09625	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	325.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.5
62.22766	1.3
69.67052	4.9
72.40228	1.2
193.10225	2.5
211.07617	2.1
221.09709	5.0
222.06848	2.1
223.11249	3.0
233.06044	3.2
234.06883	2.3
236.08446	2.7
237.09244	24.8
238.09615	2.1
248.08420	16.6
249.09230	100.0
250.09550	7.9
251.06940	1.9
262.61560	1.5
264.07840	1.7
265.06195	2.0
265.08716	17.8
266.09494	68.3
267.09976	6.0
267.14035	2.0
281.11880	5.7
293.08273	9.9
325.07074	4.3
325.10760	11.8
325.14240	2.9
325.18289	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
58.59304	0.2
60.79231	0.2
61.13628	0.2
69.83874	0.5
79.96789	0.2
152.56947	0.1
163.11290	0.2
193.10260	0.6
207.08145	0.2
209.06172	0.2
209.09877	0.3
209.11845	0.8
211.07753	0.2
221.06299	0.2
221.09814	0.7
222.06886	0.4
223.07669	1.9
225.09218	0.4
236.08397	0.4
237.09218	15.1
238.09921	3.9
239.10338	0.4
241.05144	0.2
250.06468	0.4
251.07146	3.3
252.07539	0.2
253.12363	5.4
254.12720	0.4
264.07913	1.0
265.08710	28.6
266.09354	8.4
266.12335	0.3
267.09915	0.7
270.08951	0.6
279.10229	0.2
280.10989	0.4
281.11841	100.0
282.12186	10.2
289.17883	0.2
298.08499	1.2
307.19110	1.1
325.07410	0.4
325.10825	6.3
325.18387	0.2
326.11270	0.7
349.81506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
98.84966	0.6
112.90403	0.6
125.09790	1.0
127.07684	0.9
137.09758	1.1
181.10272	1.5
193.10255	2.0
208.08925	1.1
209.06091	0.9
209.09787	1.9
211.07768	1.9
213.09305	0.8
221.06096	2.3
221.09650	3.9
222.06847	5.3
223.07564	2.0
223.11365	1.0
223.13382	1.3
224.08357	2.6
227.10837	2.8
235.07701	2.7
236.08385	6.0
237.09238	33.3
238.09818	5.2
239.10721	3.1
241.08835	0.7
249.09254	2.9
250.06396	6.3
251.07051	3.4
252.07899	2.6
263.07120	4.4
264.07932	32.6
265.08698	56.6
266.09448	34.0
267.06931	1.3
267.10239	16.9
268.10828	0.9
277.05014	2.2
278.05850	3.8
279.06543	1.3
281.08209	7.7
281.11816	5.0
282.09113	5.2
291.06561	1.0
292.07462	15.1
293.08234	38.4
294.08792	4.8
295.09769	3.0
296.10562	7.8
297.11307	7.9
307.19254	1.2
309.08197	0.8
310.08249	0.7
325.10837	100.0
326.11179	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26346	0.9
59.01385	61.1
60.01702	1.2
61.98835	19.2
70.84666	1.2
71.01386	3.8
72.00907	1.8
72.99285	1.0
73.02942	2.0
85.02950	1.5
87.00872	7.9
89.02455	1.6
89.03987	1.4
101.02452	2.8
103.00384	3.5
105.77090	0.9
112.98814	6.8
113.02493	1.6
117.03468	6.3
119.05037	100.0
120.05357	3.8
134.03761	66.5
134.04700	2.8
135.04100	3.2
145.03008	1.0
147.04556	4.7
149.00949	4.9
149.06120	5.0
161.04607	1.7
163.04024	69.3
164.04382	3.6
164.07233	4.5
178.02661	2.7
179.00275	2.0
193.05072	69.3
194.05406	6.1
216.08957	0.9
237.00342	1.2
247.31267	1.0
253.00340	3.2
265.12939	3.8
290.35999	1.0
325.03326	3.0
325.06705	1.1
325.09973	1.5
326.05148	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01364	1.8
69.03433	1.4
71.01384	4.4
71.05045	1.0
72.02180	1.0
80.02721	1.3
81.03469	1.7
83.05048	6.9
84.02169	3.2
95.05084	1.1
97.06615	2.3
99.08143	3.2
109.06589	2.5
115.07661	1.5
125.09735	3.2
127.07665	14.3
133.03009	1.1
133.63518	1.2
137.09756	1.0
139.07646	3.6
141.12825	1.2
154.40096	1.1
155.10786	2.3
161.02437	1.7
163.11292	4.0
165.12856	1.9
171.10260	1.6
178.09985	2.5
185.11845	11.6
191.10759	1.5
193.05080	1.4
197.11845	16.1
209.11856	100.0
210.12146	5.1
227.12968	2.9
238.12157	7.1
245.19075	1.8
256.13190	5.4
281.21188	1.8
289.18100	5.4
294.37561	1.2
307.19177	68.2
308.19513	4.8
325.20203	23.3
326.20700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68979	5.4
55.99688	6.0
59.01376	18.8
60.67844	5.2
64.00255	4.7
71.05034	8.0
72.99321	6.0
83.05039	12.1
84.02158	5.7
87.00880	12.4
97.06628	9.0
99.08150	8.8
109.06583	9.4
111.04515	6.0
112.98864	6.5
123.08155	11.0
125.09722	9.2
127.07656	14.8
134.03732	21.4
135.08167	12.7
145.02892	6.7
149.00925	19.8
149.05986	5.9
153.09222	15.1
165.12756	5.9
171.10316	33.6
181.12311	6.7
185.11862	19.5
193.05112	26.9
193.12303	14.5
197.11842	21.5
209.11873	71.3
221.11777	6.0
226.07010	7.1
237.14980	10.5
238.12180	9.5
239.12814	6.6
245.18950	5.2
289.18121	19.7
307.19193	100.0
325.03534	8.5
325.07260	6.8
325.10864	9.7
325.20300	92.3
326.20297	7.1
339.22128	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2024
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
50.76607	1.1
57.03429	1.5
58.00589	3.2
59.01375	3.9
69.24303	6.9
71.01377	8.0
83.05041	6.5
84.02180	5.3
95.05057	2.1
97.06597	3.7
98.22723	2.5
99.08161	3.6
109.06548	2.2
111.08150	6.7
115.07660	3.4
123.08183	3.5
125.09708	4.1
127.07677	19.1
134.02638	1.1
134.03720	1.6
135.08171	3.8
136.56184	1.2
137.09717	1.7
139.07642	3.6
143.12614	1.0
151.11276	2.2
155.10793	5.1
163.11316	4.6
165.12857	2.3
167.10788	2.2
171.10321	10.7
178.09987	4.3
181.12350	1.8
185.11852	26.1
185.15656	1.2
191.10820	2.2
197.11848	24.3
199.13406	9.0
201.11375	7.4
207.10257	1.2
209.11856	72.5
210.12244	5.3
213.11461	1.2
215.12888	1.8
227.12900	29.1
228.13271	1.9
229.14462	2.9
236.10548	1.8
238.12109	7.7
245.19032	3.0
253.18239	2.3
256.13144	4.3
263.20221	1.6
281.21259	1.4
289.18185	8.2
307.19171	100.0
308.19470	8.0
325.20233	49.2
326.20544	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
52.79366	0.3
61.76014	0.4
63.15734	0.3
117.75371	0.3
128.84377	0.4
133.06616	0.5
149.09734	95.0
150.10069	4.2
163.11301	100.0
164.11623	5.3
183.01236	11.2
184.01875	0.6
207.81857	0.3
325.18353	15.5
325.21741	86.5
326.18591	1.7
326.22031	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	326.022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19914	0.3
59.01377	0.5
61.98838	6.8
71.42371	0.4
74.59211	0.3
82.95419	0.4
84.95113	0.3
86.29781	0.3
93.68221	0.3
95.00031	0.3
99.78056	0.3
140.02051	3.2
141.00497	0.4
141.02179	0.5
141.99976	0.8
181.95303	3.4
182.95436	0.9
183.94991	2.4
184.01030	100.0
185.01152	7.0
318.00949	0.3
326.02130	1.4
331.93518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96502	0.4
51.39075	0.4
58.48162	0.4
59.01377	1.3
62.06696	0.4
68.27065	0.4
68.41348	0.5
73.39631	0.4
87.00906	0.6
91.47787	0.5
94.69530	0.4
97.19228	0.4
119.05047	0.6
120.05357	0.6
134.03743	1.5
135.04089	0.9
140.02058	3.5
141.99982	1.0
154.35300	0.4
163.00478	0.5
163.04060	0.6
163.11160	0.4
164.04391	0.8
168.91411	0.4
183.01514	0.4
184.01035	100.0
185.01219	8.7
185.03024	1.2
187.24791	0.4
193.05096	0.9
194.05344	2.2
207.99356	0.4
326.02203	1.8
345.11777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	73.7
60.77990	17.3
69.57579	18.2
71.01393	32.8
71.40293	20.6
73.02930	20.7
84.67316	16.0
96.90736	21.5
109.02956	100.0
113.02475	19.5
119.05060	44.8
120.05422	34.5
121.02953	84.5
135.04549	49.6
145.02965	76.0
146.03360	51.5
147.04533	59.9
149.02473	32.3
162.06479	20.6
163.04022	48.5
164.04469	49.5
210.06679	21.7
210.49742	17.9
236.06438	38.1
241.94737	18.0
265.11121	18.9
266.07489	79.4
282.04822	23.5
283.06131	28.1
327.10858	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02058	0.2
70.55702	0.5
71.50871	0.2
72.00922	1.4
76.32389	0.2
79.52681	0.3
82.30289	0.2
89.04027	0.3
91.05546	2.6
103.05548	0.4
107.05052	0.5
109.02974	0.8
116.56440	0.2
118.06667	0.9
132.02213	0.2
133.02974	7.2
134.03786	2.6
135.04543	100.0
136.04881	4.6
147.04539	14.5
148.04930	0.8
161.02463	22.7
162.02818	1.3
162.05647	0.3
164.07179	5.7
165.07465	0.3
178.05171	0.5
180.02031	0.3
189.15170	0.2
190.05121	36.4
191.05453	1.7
194.05399	0.4
275.63901	0.2
282.11472	1.1
326.10373	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	327.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89761	1.2
57.28930	1.5
59.01389	1.9
61.28834	1.3
65.03987	1.3
70.66207	1.9
72.99300	2.2
81.03465	2.7
93.03463	5.5
94.75584	1.4
97.02955	2.0
99.92597	5.3
100.93376	1.9
101.03958	1.8
107.01416	2.7
108.02164	5.4
109.02969	100.0
110.03297	3.2
115.92075	3.4
117.03496	6.5
119.05042	16.3
121.02966	10.3
123.00902	3.0
125.02446	1.8
127.00415	3.3
129.03488	16.1
130.04256	3.1
133.02962	3.7
135.04521	7.3
136.01663	4.6
137.02464	13.1
143.05154	1.4
145.01866	2.6
145.02972	41.0
146.03764	6.6
147.04538	84.3
148.04912	2.0
149.02452	6.7
159.04510	4.2
161.02496	6.9
163.03902	1.7
165.01917	4.3
167.04982	2.3
171.04428	1.4
173.02432	8.4
174.03220	6.7
175.03964	12.4
183.04526	2.7
185.06137	2.3
191.03511	13.0
193.06589	1.6
195.04489	1.7
196.05290	1.8
208.05121	1.8
209.06099	6.6
211.03995	2.7
211.07697	5.2
212.04634	2.4
213.05515	2.2
219.04623	1.6
221.05974	3.5
221.11804	2.7
224.04825	5.7
225.05519	1.3
227.07124	3.6
236.04898	1.5
237.05568	16.0
238.06206	4.3
239.03500	3.7
239.07030	8.2
240.04271	5.1
241.05003	2.1
251.03525	1.9
253.04909	1.6
255.06590	10.7
264.04099	2.0
265.05099	13.9
265.10983	2.0
266.05658	1.7
267.03030	1.8
268.03717	2.5
282.05133	1.7
283.06161	17.2
283.11960	1.7
327.01801	3.0
327.05145	8.2
327.08792	3.4
327.11145	2.9
327.14493	4.3
328.10309	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	327.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36583	0.3
54.47482	0.3
59.01401	0.5
63.85576	0.4
67.39230	0.3
69.06949	1.4
69.07362	0.7
86.49929	0.3
95.05037	0.5
104.02756	0.4
105.03468	0.6
121.03001	0.3
122.03741	0.6
123.04540	6.2
124.04891	0.3
132.02188	19.3
133.02469	0.7
137.09746	0.5
143.43831	0.3
145.02946	0.6
149.02467	0.5
150.03236	6.6
151.04022	8.2
160.01677	74.3
161.02281	5.6
171.10303	2.3
174.54234	0.3
174.79390	0.3
175.04022	100.0
176.04384	5.2
183.11816	0.3
193.15965	0.3
197.11893	0.9
202.50877	0.4
228.22827	0.3
272.59219	0.3
327.05200	0.4
327.08737	1.4
327.21744	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	327.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36583	0.3
54.47482	0.3
59.01401	0.5
63.85576	0.4
67.39230	0.3
69.06949	1.4
69.07362	0.7
86.49929	0.3
95.05037	0.5
104.02756	0.4
105.03468	0.6
121.03001	0.3
122.03741	0.6
123.04540	6.2
124.04891	0.3
132.02188	19.3
133.02469	0.7
137.09746	0.5
143.43831	0.3
145.02946	0.6
149.02467	0.5
150.03236	6.6
151.04022	8.2
160.01677	74.3
161.02281	5.6
171.10303	2.3
174.54234	0.3
174.79390	0.3
175.04022	100.0
176.04384	5.2
183.11816	0.3
193.15965	0.3
197.11893	0.9
202.50877	0.4
228.22827	0.3
272.59219	0.3
327.05200	0.4
327.08737	1.4
327.21744	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	327.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06083	0.4
59.89402	0.4
60.28538	0.4
63.52534	0.5
63.90792	0.4
63.98970	0.5
69.55490	0.5
71.88881	0.4
72.99313	6.0
83.35868	0.4
97.05588	0.5
97.41313	0.5
98.21863	1.7
107.04992	0.5
109.02972	1.1
115.78999	0.5
117.03481	22.1
118.03798	0.6
119.05048	24.2
120.05401	1.0
121.03035	0.6
130.08693	0.5
132.02193	0.9
134.03764	1.5
135.04544	16.5
136.04904	1.1
136.89731	0.5
145.02975	100.0
146.03328	4.5
150.03310	0.5
151.04021	0.8
160.01622	3.1
161.02432	0.8
163.04033	21.7
164.04457	1.0
166.20094	0.5
175.04001	4.5
179.03534	1.5
181.05095	50.5
182.05440	2.0
310.07254	0.6
312.91919	0.5
327.08600	0.7
327.21799	3.2
339.04861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67863	0.3
53.50608	0.3
55.01880	3.3
61.73243	0.4
65.54417	0.3
66.22459	0.4
84.45491	0.3
90.22853	0.3
90.23505	0.3
109.02945	1.0
125.66700	0.4
135.04428	0.5
155.08755	0.4
179.03484	0.4
183.08159	2.8
193.10231	1.2
195.08104	0.5
195.11803	0.7
196.08873	0.8
209.09753	0.4
211.11313	6.8
212.11649	1.0
221.09612	1.8
224.08403	0.7
237.09291	0.8
239.10782	100.0
240.11133	8.3
242.04626	0.5
255.10297	6.2
255.12912	0.4
256.10556	0.4
265.08640	0.9
283.09778	16.4
284.10080	1.3
295.06241	0.7
327.05176	0.8
327.08722	4.6
327.21771	0.7
328.08646	0.6
332.92004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0878
Annotation	2'-Hydroxy-7,3',4'-trimethoxyisoflavone
Peak:m/z	Relative Intensity
54.00964	2.6
59.01396	4.5
73.04397	2.6
80.18502	2.7
85.02951	3.4
99.00888	3.6
99.04528	5.8
101.06092	3.4
102.75674	2.5
115.07668	4.7
116.19034	2.6
122.03772	5.8
123.04533	11.4
125.76435	3.5
130.08727	2.9
131.03542	8.6
132.02232	19.7
134.03751	3.3
150.03241	70.4
151.03976	11.3
158.88864	2.8
160.01671	78.7
161.02463	31.8
162.10529	6.8
167.10750	3.5
168.91341	3.6
171.10291	3.2
175.04036	100.0
176.04317	2.7
177.02003	4.5
179.10818	7.3
183.13857	13.3
185.11806	6.8
185.15413	2.7
190.02701	5.9
201.11327	5.9
219.17566	9.1
230.61522	2.8
283.06146	3.7
283.10065	2.9
295.58914	2.7
327.08725	44.1
327.12350	7.2
327.18231	26.5
327.21838	23.8
328.09198	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	327.1089
Annotation	Androsin
Peak:m/z	Relative Intensity
59.01383	1.3
71.01389	2.9
73.02973	0.7
77.03995	0.7
85.02971	1.0
87.00889	5.6
93.03481	1.3
95.01437	0.8
95.05041	0.9
96.03317	0.3
101.02457	1.0
101.37637	0.3
105.03487	0.4
113.02479	1.2
115.43687	0.4
119.05038	0.4
121.02976	9.0
122.03747	1.0
123.04530	0.5
126.90420	0.5
149.02463	78.1
150.03249	71.9
151.03551	2.4
161.04628	0.6
163.04015	1.4
164.04822	28.6
165.05588	100.0
166.05901	3.7
168.91417	1.3
192.04356	0.4
207.06682	0.8
237.67737	0.3
291.98563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Paeonoside
Peak:m/z	Relative Intensity
54.64799	0.4
59.01387	17.1
71.01398	1.1
73.02940	0.4
78.63554	0.4
85.02956	0.6
93.03461	6.3
95.01414	0.4
101.02451	0.8
113.02449	0.5
119.05032	8.8
120.05383	3.5
121.05643	1.5
121.06616	6.0
133.02953	1.0
134.03806	0.4
135.04556	0.6
137.21501	0.4
145.02875	0.4
147.04512	2.5
149.02425	0.5
161.02477	2.5
163.04019	4.4
164.04379	1.5
165.05594	100.0
166.05925	3.9
166.53017	0.4
268.97159	0.4
297.04221	0.4
327.05267	0.6
327.10883	1.6
328.10376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60465	0.2
55.01890	1.6
65.38696	0.2
69.66859	0.8
82.31622	0.3
86.62400	0.2
98.21970	0.5
112.68709	0.2
115.07658	0.3
123.53815	0.2
167.29175	0.2
168.91412	0.5
195.11812	0.4
211.14969	2.5
223.11328	7.5
224.12083	7.1
225.12280	0.4
239.14452	100.0
240.14781	7.8
256.11078	3.4
257.11383	0.3
283.13431	16.8
284.13873	1.7
297.14990	0.3
324.42865	0.2
327.08508	0.4
327.12469	6.6
327.16132	1.3
327.21619	0.4
328.12634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54601	0.3
59.01378	0.7
59.18928	0.4
68.80704	0.4
83.01376	0.5
87.00874	1.9
113.33772	0.3
161.42250	0.3
183.11871	1.3
187.11319	1.0
211.07790	0.7
211.11340	2.6
212.08507	0.8
213.12834	0.5
215.10767	5.5
222.89151	0.3
223.07741	0.4
224.08511	0.4
225.12816	1.1
227.10808	7.6
228.11031	0.7
229.12289	3.3
237.09232	4.3
237.12848	0.5
238.09920	1.9
239.07248	0.6
239.10799	3.0
239.14476	0.4
240.08022	0.7
240.11526	1.4
241.08708	1.6
249.09326	0.6
250.10016	0.5
252.11806	0.4
253.12378	19.1
254.12788	1.8
255.10284	6.2
255.13994	1.2
255.88188	0.4
256.11078	6.3
257.11819	4.5
265.12390	3.8
266.09576	0.9
267.10355	1.1
269.08243	4.5
270.08783	0.5
281.11890	3.0
283.09818	3.8
283.13452	1.7
284.10587	38.1
285.11209	6.6
293.08191	0.4
297.15018	0.6
298.12219	1.3
299.12936	13.2
299.16367	0.8
300.13321	1.6
309.11322	2.9
312.13705	1.3
327.12421	100.0
328.12747	10.5
328.16318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1242
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
53.74855	0.6
59.01381	1.8
67.51461	0.8
69.27699	3.8
87.00880	0.8
94.92516	1.5
111.53875	1.0
134.64841	0.7
162.91167	0.9
177.99570	0.8
189.82965	0.7
211.07631	1.1
211.11417	1.7
212.08351	0.9
215.10771	7.9
225.12871	1.4
227.10800	7.5
228.11136	0.9
229.12358	2.8
238.09921	0.9
239.10803	2.2
239.14397	1.7
240.07942	0.9
240.11540	1.3
253.12401	7.3
253.14880	1.0
254.12949	1.2
255.10284	7.7
255.13957	1.8
256.11047	3.8
257.11856	2.7
265.12396	2.9
267.13889	1.7
269.08270	2.5
281.11868	4.5
283.09802	5.2
283.13132	1.1
284.10577	19.1
285.11151	3.1
295.13358	1.1
295.16690	1.0
297.03845	0.7
297.11340	1.3
298.12134	26.7
298.15564	1.3
299.12866	18.1
299.16360	1.3
300.13211	1.6
309.11435	1.5
327.12418	100.0
327.15814	4.5
327.19052	2.6
328.12775	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	327.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
69.03459	2.1
71.01387	46.4
73.02950	4.1
85.02958	12.3
87.00896	3.7
87.04488	1.5
89.02456	65.7
89.67348	1.3
95.01408	3.2
98.21853	4.7
101.02450	27.4
113.02463	16.8
115.03978	2.6
119.03513	28.5
131.03517	1.6
143.03488	4.1
147.06609	3.0
149.02417	2.9
149.04515	2.2
150.03302	3.0
159.28026	1.5
161.04614	6.3
165.05545	5.3
165.07683	39.5
166.07990	1.6
179.05670	13.1
184.01065	10.7
185.01170	12.0
186.00789	2.1
327.09161	3.2
327.12988	54.5
328.13416	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	327.1606
Annotation	Nepetanudone
Peak:m/z	Relative Intensity
56.32546	0.6
57.84986	0.6
64.83981	0.6
71.05019	0.8
71.24604	0.8
76.98007	0.7
80.02689	0.7
82.09966	0.8
84.02168	5.4
94.80850	0.7
101.00581	0.7
113.09756	1.2
115.58825	0.7
125.09749	1.2
127.11336	1.6
129.44955	0.6
137.09723	5.9
149.43810	0.8
154.15106	0.7
155.10797	12.1
162.91191	0.7
168.91475	1.3
171.10291	22.8
172.10593	1.0
186.42377	0.7
187.61906	0.7
201.11357	4.1
213.11356	2.8
269.11795	1.2
281.08252	0.9
282.09036	7.6
289.26434	0.7
296.10544	0.7
297.11337	46.8
298.11786	4.7
309.20679	1.0
311.12903	2.9
312.13699	77.9
313.14017	7.6
321.31540	0.7
327.16031	100.0
327.21555	7.2
328.16370	10.4
328.22308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1604
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
59.01365	0.4
69.14220	2.1
83.04987	0.4
89.68816	0.3
110.03740	0.3
117.85316	0.3
119.18783	0.3
198.43831	0.3
234.36630	0.4
239.10828	0.5
241.12430	2.8
251.10793	1.8
252.11374	0.9
253.12350	11.1
254.12791	1.3
265.12317	0.7
267.10779	1.1
267.13916	35.2
268.14322	6.3
272.10544	0.4
285.11374	4.6
286.11801	0.3
295.13309	0.8
297.11365	2.7
297.14734	0.6
298.11667	0.4
299.16595	0.6
300.13782	0.5
309.14661	0.3
311.13007	1.1
312.13696	6.8
312.17374	0.4
313.13950	0.6
319.96469	0.3
327.16025	100.0
328.12469	0.6
328.16379	9.9
336.50555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64847	0.4
59.01382	0.7
69.58317	1.0
69.58698	1.3
75.40907	0.4
83.71500	0.4
119.24817	0.4
168.70819	0.4
226.10049	1.1
241.08641	0.5
241.56758	0.4
251.07123	0.7
251.10851	0.5
252.07883	0.8
252.11592	0.9
253.08656	0.6
253.12268	0.6
253.16083	0.5
254.09555	3.9
255.10185	2.3
256.10999	0.7
265.08679	6.8
266.09448	2.1
267.10333	1.3
267.13885	2.6
268.14343	0.6
269.08228	0.6
269.11887	1.5
269.15189	0.6
270.09058	0.9
277.12494	0.5
279.10321	8.7
280.11038	10.2
281.11761	3.0
282.12363	0.9
283.09836	1.5
283.13510	2.7
284.10663	2.4
284.14212	3.7
295.13425	100.0
296.13922	13.7
297.04056	0.5
297.11353	8.9
297.14963	6.5
298.11847	0.9
311.12930	4.7
312.13708	31.3
313.14066	3.1
327.12708	2.4
327.16031	49.0
328.16400	5.5
347.65604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1605
Annotation	Obtusanal B
Peak:m/z	Relative Intensity
59.01371	0.9
61.98830	2.3
71.42513	0.9
76.02141	1.0
83.05026	1.1
85.06601	5.2
94.92537	1.3
119.94685	1.5
158.03717	1.3
196.05334	4.5
199.07661	24.6
200.07982	1.3
201.09288	1.8
205.41438	0.9
213.05617	2.4
213.09239	2.2
214.10028	10.4
215.10677	1.8
223.07701	3.5
225.09306	0.9
227.07219	4.0
228.38008	0.9
229.12390	1.5
237.09291	1.0
238.10074	2.4
239.10744	6.9
241.08740	3.1
242.09373	2.8
246.09081	1.3
250.13635	1.2
256.11096	3.0
265.15985	14.5
266.09509	7.7
267.10168	2.4
279.10291	1.0
284.10629	3.4
295.17047	5.2
299.16562	29.0
300.16989	3.0
309.15015	18.8
310.15305	1.8
327.16046	100.0
328.16483	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	327.1969
Annotation	3,4-Seco-Sonderianol
Peak:m/z	Relative Intensity
61.98795	0.5
69.63269	0.8
88.31850	0.2
91.61797	0.2
92.92765	0.3
94.92464	0.4
118.61211	0.2
119.94669	0.4
163.85254	0.2
200.08447	1.5
200.10008	0.2
201.09178	0.5
211.11292	0.7
213.09192	0.8
214.09985	1.3
223.11247	0.4
227.10641	0.3
239.10805	1.3
240.11531	0.7
241.12334	1.0
251.10750	1.9
252.11552	1.1
253.12189	0.6
261.12845	0.9
265.12350	2.2
265.15903	0.4
267.13907	1.1
277.16010	2.5
279.13895	9.3
280.14609	4.3
281.15280	1.2
282.15994	0.5
293.15479	0.4
294.15979	0.3
295.17050	100.0
296.17395	9.9
297.18576	2.6
312.16876	3.8
313.17303	0.3
327.19675	56.4
328.20001	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	327.2181
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.39759	1.1
55.01880	1.3
57.03454	1.2
59.01377	2.2
60.97478	1.1
69.78745	3.1
73.02950	4.0
97.06594	3.2
98.21940	1.7
99.08144	3.5
112.05299	3.5
115.07636	3.7
123.04536	6.8
125.09763	1.6
127.07682	1.9
127.11298	2.0
129.09230	24.8
130.04227	2.1
132.02200	4.7
133.02968	4.7
136.98776	1.4
141.09253	10.6
153.07664	1.2
154.04271	2.0
155.10797	32.9
158.03741	1.7
164.98264	4.1
165.12900	1.6
171.10281	27.5
171.11650	2.1
185.02600	1.8
185.11856	40.1
186.03247	24.8
186.12244	1.8
197.11868	36.4
198.03233	1.8
201.11360	2.4
209.11835	7.1
211.13365	1.3
213.01984	3.1
213.11349	1.8
214.02762	5.2
226.02808	1.7
241.01414	4.6
242.02225	16.8
247.20671	2.1
257.00861	2.6
269.00867	2.9
270.01724	78.1
285.04144	6.0
291.19720	12.7
298.01230	44.9
309.20724	28.6
310.21091	3.2
312.13632	4.5
313.03564	100.0
327.16287	7.0
327.21790	96.8
328.05902	60.1
328.22177	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
59.01371	1.3
69.03457	2.6
69.07941	8.4
79.58992	1.0
85.02960	15.4
97.02958	1.4
97.06599	3.3
99.35929	1.0
113.82430	1.0
119.08666	1.6
119.10047	1.1
120.64583	1.0
121.02969	2.3
125.09715	2.6
127.11300	2.2
135.04532	1.9
137.09770	5.2
147.73027	1.0
155.10773	1.1
161.06682	0.9
165.99240	1.2
171.10289	35.7
172.10718	1.7
177.12920	1.3
183.13942	3.6
185.11781	1.4
201.11334	1.8
209.11887	1.8
211.13362	12.6
212.13512	1.0
221.11874	2.3
229.14502	9.0
291.19818	1.2
313.06006	1.5
327.05280	1.8
327.08716	3.6
327.12488	4.9
327.21790	100.0
328.08771	1.6
328.22195	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	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03456	1.8
69.15741	4.9
71.01400	0.7
82.62559	0.8
83.05020	0.9
83.87001	0.7
85.02959	5.5
97.02984	1.1
97.06606	6.5
98.22602	1.8
108.65675	0.8
125.09709	1.6
127.11304	2.3
137.09738	1.1
155.10829	1.0
155.14354	1.2
165.12895	1.4
167.10802	1.1
167.14478	1.4
171.10289	12.4
172.10675	1.0
177.12851	1.0
183.13902	4.9
185.11917	1.7
193.12325	2.0
195.13980	1.1
209.11908	2.1
211.13417	26.9
211.15373	1.7
212.13829	1.3
221.11826	4.8
227.12878	1.0
229.14478	16.6
230.14809	0.8
239.13010	2.0
291.19730	3.6
309.20724	1.3
327.21793	100.0
328.22147	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	327.2181
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03449	0.8
58.00599	1.4
59.01383	5.1
64.67638	0.4
67.34386	0.5
69.03466	0.8
70.96111	0.8
72.99315	0.6
73.80170	0.4
85.02980	0.8
97.06584	1.6
109.06611	0.8
111.08175	8.6
112.08469	0.5
117.03510	0.6
123.04566	0.6
127.07667	1.1
128.77751	0.5
132.02187	1.9
135.04524	1.1
137.09726	0.7
139.11380	0.5
145.02946	0.8
150.03291	0.7
151.04065	1.0
153.09383	0.5
153.12823	0.9
160.01691	8.5
161.02409	1.6
169.12337	5.4
171.10310	3.5
175.04031	11.0
176.04358	0.6
177.12845	0.9
179.03520	0.6
179.10721	0.6
181.12399	2.2
182.40392	0.4
183.13904	1.3
185.11871	1.2
196.09961	0.5
197.11862	44.5
198.12149	2.4
199.13435	7.4
200.13832	0.6
211.13454	5.9
221.11906	1.4
221.15544	0.6
227.12938	1.8
229.14528	1.4
239.12949	0.9
239.16553	3.9
263.20212	0.6
265.18112	0.7
285.43210	0.5
291.19772	3.9
309.20825	4.2
327.21796	100.0
328.22119	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
58.00592	1.4
59.01396	3.8
61.66949	0.6
62.81269	0.5
68.92860	0.5
69.03476	0.7
71.42341	0.5
72.99312	1.4
73.31294	0.5
76.59223	0.5
76.95058	0.7
82.34394	0.6
85.84518	0.5
97.06596	1.7
98.21865	0.6
109.06595	1.3
111.08175	8.6
125.09753	0.8
127.07727	1.1
137.09741	0.8
140.87033	0.5
141.09023	0.6
141.12920	0.6
153.12872	0.8
155.10756	0.9
160.01645	1.6
161.02428	0.8
165.06987	0.6
166.26627	0.5
169.12350	6.1
170.12590	0.6
171.10298	4.3
175.04042	4.1
179.10782	0.6
181.12405	1.6
183.13895	0.7
193.12421	0.7
197.11861	41.5
198.12231	1.6
199.13440	7.7
201.11394	1.3
211.13437	5.9
226.02779	0.6
227.12814	0.6
229.14499	1.0
237.05635	1.5
239.12946	0.7
239.16560	2.3
261.56912	0.6
273.18573	0.7
284.73691	0.6
291.19748	3.4
309.04132	1.1
309.20749	2.9
312.02484	0.6
327.21811	100.0
328.22153	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77050	0.4
55.01879	1.0
57.03461	4.2
59.01371	0.3
69.03465	3.3
69.37614	1.8
71.01378	0.5
81.03434	0.6
83.05042	0.9
84.02161	0.6
85.02959	13.3
86.03304	0.5
91.39905	0.4
95.05038	1.2
97.02933	2.1
97.06611	3.7
98.21838	0.7
109.06593	0.6
118.13985	0.4
119.08688	0.6
123.08174	0.6
125.09731	1.5
127.11309	2.4
135.04547	0.6
137.09737	4.8
155.10780	1.1
165.12892	0.7
167.10689	0.5
167.14459	0.6
171.10287	32.1
172.10666	0.9
175.04044	0.5
177.12881	0.8
179.03421	0.5
183.13925	3.5
183.86873	0.5
185.11855	1.4
193.12338	1.5
197.11708	0.4
201.11356	1.7
209.11861	1.4
211.13411	16.3
212.13660	0.7
221.11855	2.5
229.14464	11.3
230.14763	0.6
239.12938	1.4
291.19662	3.4
292.20270	0.5
309.20779	1.3
327.21790	100.0
328.22101	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	327.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03818	1.5
71.04161	1.7
71.05028	1.6
80.02684	1.6
84.02177	16.1
89.82941	1.2
99.08126	1.2
108.86975	1.3
113.09741	3.3
125.09747	3.4
127.11301	5.5
135.08141	1.5
137.09735	19.3
155.10786	33.5
163.73584	1.2
168.91380	1.2
171.10287	67.1
172.10638	4.5
201.11342	11.8
213.11281	4.3
281.08371	1.9
282.08905	7.2
283.09290	1.8
291.19791	1.9
297.04099	2.2
297.11343	44.8
298.08548	1.8
298.11740	3.8
309.20685	2.6
311.04358	1.3
311.12863	5.4
312.13678	78.2
313.14166	6.9
327.09024	3.5
327.12964	3.6
327.16019	100.0
327.21634	14.7
328.16306	11.7
328.22037	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	328.1039
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
52.61979	1.0
59.01385	47.3
60.65900	1.1
62.21148	1.0
65.65648	1.0
69.14606	2.6
69.15006	5.8
71.01386	19.5
76.66072	1.2
83.01389	1.8
85.02946	7.6
89.02454	16.0
89.16106	1.1
92.05066	9.0
95.01371	1.6
101.02453	12.8
108.04556	2.4
110.06133	1.6
113.02462	6.0
119.03544	6.0
120.04562	10.7
122.06127	8.3
123.04536	2.8
133.03001	1.6
136.04033	1.8
138.05634	17.5
148.04059	53.1
149.02501	1.3
149.04449	2.6
150.05646	8.4
165.04329	2.1
166.05112	4.2
167.03584	1.6
168.06699	2.1
174.05640	1.4
177.01923	5.6
180.06746	1.7
209.04556	1.5
225.42146	1.1
228.91693	1.4
300.10815	2.5
328.10397	100.0
328.87506	1.4
329.10641	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	329.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
56.27797	0.6
59.01384	56.4
61.98838	3.5
71.01387	12.7
71.38793	0.7
72.99314	1.1
73.19166	0.7
74.99367	0.8
76.15412	0.7
85.02956	2.3
86.00115	1.1
87.00894	7.1
89.02460	1.6
99.00900	1.0
101.02447	2.4
108.02203	1.3
113.02453	1.4
115.02539	2.1
117.00464	10.2
118.00568	0.8
121.05344	1.2
122.03754	16.8
122.06127	11.8
123.04559	4.2
126.98926	1.5
128.90063	1.4
129.00482	0.7
132.04504	0.6
132.98228	0.8
134.06122	1.2
136.07695	6.2
141.38417	0.8
143.02016	4.5
144.99965	0.8
149.04793	0.8
150.05612	29.9
152.07208	1.6
157.03557	1.2
159.01511	69.3
160.01689	5.6
161.04619	2.0
162.05608	1.0
164.07133	0.7
165.05582	1.0
167.03491	2.1
168.99950	1.9
170.88364	0.6
170.91115	3.8
170.97864	11.9
171.01448	6.5
171.97902	1.0
174.99294	1.7
176.07202	3.0
177.01962	2.2
184.01057	2.2
185.01195	4.9
185.02849	0.9
186.00745	5.2
186.98608	3.9
187.01001	100.0
188.00711	10.1
194.08153	1.8
201.00827	1.2
201.02571	13.0
202.02739	1.6
217.00285	2.1
222.07639	1.2
229.00406	4.0
230.98148	0.7
232.98274	1.8
252.08989	0.7
256.98224	0.9
274.99396	6.8
286.87112	0.9
287.01181	1.8
310.99411	1.1
312.10947	18.5
321.41864	0.8
328.96738	2.3
329.00650	4.3
329.08826	1.1
330.11972	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0671
Annotation	Olibergin A
Peak:m/z	Relative Intensity
59.01382	5.7
69.22535	9.8
70.03860	1.5
71.01397	5.0
73.02966	2.8
74.74312	1.6
77.22261	1.8
80.19211	1.7
85.02966	2.9
87.00922	1.6
93.03495	3.2
96.96027	2.4
101.02487	3.5
105.03480	6.4
109.02974	5.6
121.02993	6.7
123.00880	1.6
123.04558	11.3
128.90106	1.8
133.02995	12.7
135.04530	4.0
137.02475	3.9
139.04054	3.3
147.04526	1.7
149.02423	9.6
149.06169	1.8
150.03200	2.2
151.04033	20.6
151.43596	1.7
156.04424	1.5
161.02495	6.4
165.02016	1.9
167.03523	4.1
175.04073	2.8
177.01955	100.0
178.02344	4.4
181.15114	1.7
198.06903	2.9
209.04811	1.7
211.07692	3.1
213.09248	3.1
239.07147	3.3
257.08218	4.1
263.97159	1.6
267.06549	2.9
272.82813	2.0
285.07690	5.0
329.06543	12.0
329.12537	2.4
329.16196	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83216	0.8
59.01376	3.9
61.34587	0.8
71.01382	3.4
71.23292	1.2
73.02947	1.7
77.91873	0.9
85.02956	2.1
90.97436	0.8
93.03476	3.2
101.02457	3.7
103.99036	0.8
105.03484	5.0
109.02973	4.2
113.02423	1.4
115.07735	0.8
118.64935	0.9
119.05011	1.3
121.03002	6.7
122.24242	0.8
123.04551	12.1
133.02968	11.1
135.04549	2.7
136.01712	1.0
137.02460	2.4
139.04024	3.7
146.60300	0.8
147.04564	1.2
149.02475	15.0
150.03140	1.6
151.04013	15.8
161.02397	1.3
161.04584	1.8
166.07532	1.0
167.03574	1.2
175.03961	1.0
177.01945	100.0
178.02299	3.6
179.03612	1.0
211.07726	1.6
213.09276	1.6
233.21155	0.8
239.07138	1.7
257.08279	3.9
267.06647	3.1
285.07797	2.3
329.06528	9.6
329.12430	2.1
329.16190	1.2
330.20633	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	329.0669
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
59.01385	1.8
61.79330	1.1
67.38361	1.2
71.01411	1.5
79.64483	1.5
88.20848	1.1
99.85890	1.2
104.60982	1.2
126.14616	1.2
127.11306	1.5
127.80070	1.4
151.00417	1.5
163.00531	1.5
171.10342	3.1
172.87994	1.1
178.23238	1.3
179.00203	1.3
185.09721	2.0
185.13387	3.5
195.11876	2.1
199.04092	4.3
199.11403	3.3
200.08481	1.7
201.09375	1.7
201.11371	3.5
213.09213	2.1
214.10060	2.6
215.03528	1.8
215.07182	1.6
227.03539	4.3
227.10802	20.6
228.11249	2.6
239.14360	1.4
241.12312	1.8
243.03088	4.7
243.10361	4.4
269.04626	2.0
269.15207	1.5
271.02512	71.2
272.02930	5.3
281.15717	3.0
285.04279	2.4
285.11346	2.3
285.14975	2.2
299.02002	100.0
299.16507	25.2
300.02374	9.2
300.10010	1.3
301.18179	1.3
311.13019	1.6
314.04349	97.2
315.04773	7.4
329.06775	52.2
329.13965	16.5
329.17715	84.8
329.23267	14.8
330.07065	4.9
330.14612	1.5
330.18085	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85075	0.2
51.84192	0.2
58.85308	0.2
69.20580	0.3
71.47411	0.3
81.03468	0.7
93.03469	2.2
95.01408	0.5
95.05050	1.7
105.03455	0.5
108.02190	1.0
109.02955	2.7
121.02982	1.9
122.03784	1.6
123.00905	0.3
123.04542	25.4
124.04868	0.9
132.02199	0.3
133.02060	0.1
133.02980	5.0
134.03735	1.2
135.04543	7.4
137.02454	0.7
139.04021	4.2
149.02480	2.5
161.02461	13.7
162.02850	0.6
165.01949	0.5
167.03514	100.0
168.03859	3.3
175.04141	0.3
179.03563	1.9
197.29262	0.2
299.09085	0.3
329.06445	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
69.24226	2.8
69.24616	2.0
72.99316	72.2
74.23245	1.0
78.59011	0.9
81.03455	1.4
83.36375	1.0
89.03975	43.3
91.01933	1.3
91.50840	0.9
93.03455	3.2
95.05051	1.3
96.96013	1.1
105.03457	6.3
108.52428	1.1
109.02946	2.5
117.03480	100.0
118.03799	2.8
119.01403	2.4
119.05058	8.8
121.02962	9.7
122.63848	1.0
123.04525	11.7
133.02032	2.2
133.02968	21.4
134.03725	2.1
135.04546	6.4
139.04015	12.7
147.00914	11.1
147.04472	1.4
148.01688	3.1
149.02466	25.5
150.02620	1.1
151.04050	1.4
159.04497	1.3
161.02512	2.8
165.01993	1.8
169.06627	1.2
179.03532	3.1
193.06587	1.4
195.08145	1.2
196.05313	1.3
197.04625	4.3
199.07693	1.7
211.07596	2.5
212.04837	1.3
213.05608	1.4
221.06107	7.3
223.07680	1.0
227.07187	5.8
237.05762	1.4
238.06120	1.0
239.07156	17.0
239.10954	1.4
241.08748	1.3
241.12439	1.9
248.05020	1.2
249.05627	4.7
253.03708	1.6
255.06592	5.1
267.06662	8.2
269.08282	2.1
269.11819	1.4
270.09149	2.5
271.13602	1.2
283.06229	15.5
283.09573	1.7
284.06345	1.2
297.11295	2.3
299.09402	2.7
299.13049	3.5
311.05652	84.0
312.05991	8.8
313.10806	1.9
314.11478	1.4
329.06735	80.4
329.10135	5.7
329.13873	48.6
329.17310	1.9
330.07220	7.4
330.14401	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	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	3.6
70.77874	0.6
82.00620	0.9
86.50359	0.4
87.11280	0.4
92.99841	0.8
95.05036	0.5
96.99313	0.8
110.00101	8.4
120.99326	1.2
123.04538	8.0
124.34245	0.5
125.02456	0.9
133.02985	8.9
133.50633	0.5
135.04524	0.6
136.98799	3.5
137.99619	2.7
143.05055	1.7
149.99590	0.7
151.00380	0.5
153.00832	0.7
153.01973	5.8
155.05048	1.1
164.98312	28.5
165.99095	17.8
171.04570	1.7
173.02437	0.9
177.99132	2.1
178.99921	1.7
180.00659	7.9
181.01337	1.4
183.04530	2.2
187.04039	1.1
192.97821	0.7
199.04030	3.0
208.00214	0.6
215.03539	14.8
216.03786	0.7
225.01968	0.6
227.03554	4.3
229.01395	0.7
240.04008	0.6
243.03024	5.7
244.03513	0.5
249.88814	0.4
255.03001	2.6
271.02512	33.4
272.02808	2.7
296.03384	0.6
299.02002	96.0
300.02341	8.2
314.04355	100.0
315.04718	8.1
329.06711	48.8
330.07025	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	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
58.00583	1.8
59.01384	100.0
60.01712	1.2
67.01897	1.0
70.95023	2.0
71.01389	41.7
72.99313	1.4
73.02964	1.3
79.89459	1.1
79.97454	1.0
83.01397	3.2
85.02962	8.2
85.50461	1.0
89.02456	37.1
91.01908	3.1
94.85026	1.1
95.01394	4.8
101.02448	19.6
102.02802	1.2
107.01402	3.7
108.02199	8.9
109.02959	3.5
113.02467	14.0
115.40137	1.2
119.03512	10.8
122.03745	1.6
123.04521	14.7
125.02444	1.1
136.01729	1.3
136.53366	1.0
142.63541	1.1
143.03506	1.1
150.03241	3.0
151.00371	5.5
152.01169	8.5
166.02750	9.6
167.03511	74.0
168.03911	3.1
177.01930	2.5
181.05077	15.1
194.02226	4.7
209.04555	48.3
210.04913	2.2
239.05591	3.5
269.06702	10.1
296.25287	1.3
314.06815	1.4
329.08795	91.0
330.09094	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0883
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
50.80843	0.8
53.13938	0.9
59.01388	7.5
65.75195	0.9
71.01395	3.3
71.10055	1.2
85.02975	1.4
88.04053	1.6
89.02467	1.9
93.03477	1.1
108.02183	53.7
109.02960	4.0
111.35482	0.9
117.00437	2.5
121.02964	1.1
122.06154	2.0
123.03629	1.6
123.04539	31.2
124.04841	1.4
128.90102	3.0
137.02484	1.1
139.04094	1.5
149.02464	2.7
150.05635	4.3
151.04044	2.9
152.01172	37.9
153.01483	1.1
166.02754	1.4
167.03510	100.0
168.03877	4.0
170.88405	5.2
170.91125	9.4
170.97897	4.2
177.01961	9.8
209.04501	1.2
244.85950	2.0
259.84741	1.0
274.99466	1.7
286.86633	4.1
312.10913	2.1
328.87524	3.3
329.08914	14.2
329.12506	2.6
330.08795	1.0
330.12308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	56.9
71.01405	23.5
76.90028	4.7
89.02455	14.6
91.78754	4.6
101.02451	13.2
104.58440	4.4
108.02199	10.1
109.02952	6.9
113.02448	7.3
119.03538	6.1
123.04518	22.6
151.00394	13.4
152.01144	12.2
161.04549	4.4
166.02715	18.1
167.03532	78.1
170.91243	5.8
177.01906	6.2
181.05103	15.6
194.02168	13.9
209.04572	100.0
210.04877	7.1
239.05653	14.9
257.08319	6.6
269.06693	30.0
313.21790	4.8
322.64111	5.4
328.97113	44.0
330.20721	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	329.088
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
57.03437	0.5
59.01381	1.3
65.00327	0.6
69.65017	0.4
71.46679	0.4
79.92566	0.3
81.03465	4.7
83.01395	2.4
93.03470	1.1
95.05031	1.1
105.03481	2.1
107.01392	1.1
108.02165	0.5
109.02975	1.2
120.08890	0.4
121.02969	2.1
123.04539	33.7
124.04853	1.5
125.02451	5.6
133.02979	3.9
135.04546	1.3
137.02473	1.3
139.04028	1.3
147.04605	0.5
149.02463	5.0
150.03156	0.8
151.00407	1.6
151.04013	6.6
152.04361	0.6
161.02451	1.3
167.03511	100.0
168.03851	3.1
175.03972	0.6
177.01947	35.4
178.02266	1.2
191.03517	0.9
196.14665	0.4
209.04581	1.4
231.42390	0.4
265.54028	0.4
267.06607	0.5
285.07718	1.1
329.06238	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	329.1032
Annotation	Podolactone E
Peak:m/z	Relative Intensity
55.94556	1.5
69.03460	5.7
71.30667	1.8
72.99311	2.5
73.02962	2.6
83.73091	1.6
89.03992	1.6
100.51717	1.6
109.02962	2.4
117.03493	2.5
123.00806	1.8
126.26525	1.5
133.02989	1.7
141.07132	19.6
149.02435	1.4
155.08688	2.6
161.02451	4.7
167.08665	13.3
169.10268	20.6
171.10242	3.1
193.10254	4.9
195.08170	10.0
208.55412	1.6
209.09708	21.6
211.07674	7.2
211.11298	58.7
212.11685	3.7
225.09421	1.9
253.08652	2.5
255.06590	6.4
255.10321	5.6
257.11871	2.3
270.08960	3.4
285.11356	100.0
285.14420	3.3
286.11743	7.2
299.12912	2.9
311.05457	2.1
329.06720	3.2
329.10239	9.6
329.13959	11.5
329.23343	3.3
329.30646	1.7
330.20770	3.3
352.68381	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65268	1.5
55.92752	1.4
63.05238	1.4
69.03467	5.0
73.26569	1.4
76.68435	1.8
98.22711	2.7
98.49625	1.5
116.71966	1.6
127.13745	1.6
141.07127	16.1
142.07469	1.8
144.31564	1.3
161.02364	1.6
163.72818	1.6
167.08656	14.4
169.10257	19.3
170.10629	1.5
193.10286	7.0
195.08208	8.3
209.09778	20.6
210.10176	2.0
211.07864	6.8
211.11307	52.7
211.13344	2.9
212.11639	4.0
225.09294	2.9
241.16049	12.3
255.06726	7.7
255.10176	5.1
267.10278	1.8
270.09039	1.9
281.11829	1.5
285.11368	100.0
285.14633	4.9
286.11798	8.4
297.11044	1.5
298.12070	1.7
299.12857	3.8
311.12738	1.4
320.00342	1.4
329.06732	2.2
329.10483	3.7
329.13962	47.3
329.17780	3.8
330.14304	2.1
330.20844	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	329.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83046	1.0
53.44965	1.1
59.01385	100.0
59.18608	1.0
61.00426	7.1
64.55122	1.1
66.95969	1.5
69.70406	4.7
71.01378	8.4
72.99309	3.1
73.02953	1.8
81.03492	1.7
85.02968	2.7
89.02454	2.5
93.03465	2.7
95.01421	1.4
98.21943	2.5
101.02470	4.6
103.38718	1.5
105.03470	2.3
108.02174	1.6
109.02949	5.2
111.99638	1.5
112.77023	1.2
113.02446	2.2
115.00447	1.2
119.05036	2.3
121.02989	3.7
123.04563	8.2
123.75718	1.1
126.08671	1.2
133.02983	4.9
135.04550	30.1
136.04861	1.7
136.99139	2.4
137.02435	1.5
139.04019	3.4
145.02971	2.2
149.02469	7.1
150.03268	2.3
151.04041	6.3
153.01999	2.4
153.09250	4.7
161.02464	30.4
161.04605	3.4
162.02794	2.1
163.04015	4.8
165.01967	1.9
166.01778	22.4
167.03537	5.2
175.03922	2.0
177.01958	27.8
179.03461	7.1
197.04495	1.7
197.08163	2.5
207.03004	1.6
209.04631	1.6
211.07677	1.5
228.02950	29.0
255.06573	2.1
257.04550	2.7
267.06619	2.8
269.07227	1.3
269.10388	3.3
285.07755	2.1
329.06439	16.7
329.12698	3.7
330.41507	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1397
Annotation	Gibberellin A51-catabolite
Peak:m/z	Relative Intensity
58.88200	0.5
71.41128	0.8
71.61256	0.5
75.78677	0.6
124.42854	0.6
142.22282	0.6
153.89166	0.8
173.09763	3.3
185.06105	2.4
199.11336	0.9
225.12964	0.8
226.06520	0.7
227.10678	0.7
239.10838	1.0
241.16005	100.0
242.16348	8.5
254.09674	1.2
255.10294	3.6
267.10291	2.4
285.14978	52.4
286.15320	3.6
329.10330	4.8
329.13934	29.7
330.14365	2.9
333.51584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.14
Annotation	Gibberellin A62
Peak:m/z	Relative Intensity
59.01379	1.8
59.49828	1.3
59.83825	1.2
66.86550	1.4
69.24541	6.6
96.95999	1.2
104.63706	1.2
113.09752	2.0
125.09663	1.5
127.11264	1.7
139.11299	2.1
145.82704	1.6
170.88373	1.4
170.91150	2.3
171.10258	3.2
185.13327	1.9
192.10291	1.4
197.09669	1.5
201.11401	6.7
210.07040	1.4
211.14944	94.8
212.15283	6.2
213.11212	1.5
215.10687	3.0
216.07907	2.0
225.12851	1.4
227.10762	2.9
228.08095	1.8
229.08769	2.0
229.12378	3.2
230.09401	1.9
235.11385	2.7
239.10657	1.5
243.10257	5.5
251.10823	1.8
253.12297	6.3
255.13901	10.9
267.13995	2.5
281.11758	4.3
282.16486	1.8
285.15012	54.4
285.18332	2.6
286.12079	1.8
286.15323	3.7
286.86127	1.8
293.21213	2.0
296.44165	2.2
297.14978	1.8
299.16455	11.9
301.18118	1.6
311.16577	4.2
311.22180	2.0
314.15186	2.9
329.13885	26.3
329.17578	100.0
329.23340	50.5
330.14313	2.1
330.17648	14.6
330.21268	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	329.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31874	1.0
58.94579	0.9
69.15143	6.3
83.01382	1.6
88.34612	1.0
90.53856	1.1
157.10187	0.9
162.82983	1.1
185.09766	5.2
185.13368	8.6
195.11781	1.5
197.13364	4.7
211.13445	2.6
213.12856	1.2
223.11377	1.3
229.08693	2.8
229.12373	8.2
239.14497	3.7
241.08784	1.7
241.12381	21.3
241.16074	2.5
242.12537	2.2
243.10381	1.1
253.08878	1.3
253.12338	4.8
255.14128	1.3
257.15546	1.5
258.12747	1.5
267.10199	1.1
267.13892	1.9
268.11060	10.3
269.11838	26.6
270.12262	2.5
271.10019	1.3
271.13397	4.4
272.10544	1.7
280.11182	3.0
281.11905	8.5
283.13351	2.1
285.11682	2.3
285.14978	27.8
285.18243	1.5
286.12265	1.0
286.15396	3.2
298.12167	2.2
299.12949	15.9
301.11072	1.4
301.14429	5.4
311.12982	3.4
314.15103	8.6
329.14005	100.0
329.17667	15.7
329.22919	6.5
330.14566	9.4
330.17902	2.2
330.20999	3.3
332.80066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
72.76871	0.9
95.89319	0.9
103.14132	0.9
112.21001	0.9
120.33015	1.0
121.02965	1.6
126.78321	1.0
127.09748	0.9
135.04526	5.7
142.44116	0.9
144.02872	1.1
177.55563	1.2
179.03510	5.0
188.62601	1.1
209.13409	2.7
224.08447	2.3
237.12865	1.8
239.10823	2.2
243.13959	1.0
253.12312	8.7
265.12421	2.6
269.11761	2.1
271.13434	13.2
272.10690	2.5
281.11960	5.0
283.13467	5.8
285.14581	2.2
296.10629	1.3
299.12946	19.1
299.16321	1.8
300.13266	2.5
301.14441	7.0
311.12949	8.6
311.16629	2.8
329.13977	100.0
329.17480	6.2
330.14346	11.3
330.20697	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	329.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57138	0.5
54.62026	0.5
66.12782	0.5
69.24107	3.4
70.27246	0.5
94.42564	0.5
98.22717	1.0
115.88357	0.6
121.02975	1.8
127.32641	0.6
129.39755	0.5
134.03633	0.8
135.04550	1.8
135.33228	0.5
139.25204	0.6
139.28218	0.6
162.78822	0.5
165.01956	2.1
173.09676	0.6
179.03537	2.3
203.44971	0.6
209.13351	2.9
221.13753	0.5
224.08543	1.8
225.09138	1.3
226.10040	0.7
227.10893	1.4
237.12900	1.8
239.10846	2.1
247.46353	0.5
251.10904	0.6
253.12363	8.9
254.12871	0.8
265.12250	2.3
267.10330	0.7
268.11191	0.6
269.11884	1.2
270.12418	0.7
271.10049	1.3
271.13406	11.0
272.10596	1.8
272.13559	0.7
279.97415	0.6
281.11938	4.7
283.13443	5.6
284.13770	0.6
285.14215	0.9
293.11893	0.7
296.10651	1.4
297.11227	0.9
299.12918	19.1
300.13272	1.2
301.14481	7.5
311.06055	0.7
311.12903	7.5
311.16571	2.4
312.13260	1.1
329.13977	100.0
329.17352	4.6
330.14270	9.6
330.17844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1762
Annotation	Cynajapogenin A
Peak:m/z	Relative Intensity
58.77755	0.6
65.77877	0.8
71.30497	0.7
75.62243	0.8
101.46902	0.7
106.72017	0.6
127.43404	0.7
169.10199	0.8
170.88361	0.9
171.10320	1.4
185.09686	1.2
189.90294	0.8
199.28214	0.7
200.08415	2.3
201.11319	1.0
211.14978	1.3
213.09253	12.3
214.09746	1.3
216.07835	1.1
217.08713	0.8
225.09245	4.8
227.10822	0.7
229.08635	1.7
230.09453	2.4
231.10378	1.1
240.11552	1.3
241.16049	1.4
243.10272	16.9
244.10754	2.3
252.12320	0.8
253.12263	1.0
255.13911	0.9
269.15460	9.3
281.15564	1.5
285.15060	2.2
285.18564	1.4
286.15469	0.8
293.58621	0.8
297.14990	0.9
299.12946	2.5
299.16486	20.7
299.19861	1.4
300.16754	1.0
313.14496	1.7
314.15137	1.7
329.13968	9.6
329.17581	100.0
329.23251	14.1
330.14163	1.3
330.17691	9.6
330.20596	1.4
349.59552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1763
Annotation	3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
Peak:m/z	Relative Intensity
53.92757	0.5
61.12130	0.5
61.98835	1.3
69.13805	1.5
69.14215	1.9
90.21703	0.5
94.92579	0.7
95.07372	0.6
96.96027	1.0
119.94817	0.5
123.08144	0.6
124.11447	0.5
132.17049	0.6
204.38084	0.6
215.07144	1.0
217.08800	1.2
218.05856	0.8
218.09505	0.6
229.08751	1.4
230.09567	2.6
233.07817	0.8
243.10275	1.2
258.09012	0.9
267.13910	1.3
271.13458	2.7
282.16330	6.0
283.16858	0.6
285.15027	1.5
286.15744	1.6
297.18604	5.8
299.16571	1.4
301.18082	3.9
302.18665	0.8
311.16504	0.8
313.14658	0.9
314.15271	2.0
329.17621	100.0
330.17847	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	329.1762
Annotation	Triptoquinone B
Peak:m/z	Relative Intensity
59.01398	1.3
63.27029	0.9
64.18114	1.0
66.32921	0.8
78.86916	0.9
80.24107	0.8
93.86280	0.9
96.96030	1.2
126.32716	1.0
168.13777	0.9
215.10785	2.0
241.12340	1.8
242.09557	2.4
243.10097	2.4
246.88336	1.1
251.14668	0.9
253.16110	1.3
256.11288	1.0
256.14838	1.3
265.12405	1.3
271.17072	16.6
272.17386	1.2
281.15378	3.7
283.13382	2.0
284.14102	3.9
297.15286	1.7
297.18567	10.9
298.15744	1.1
299.16556	100.0
300.13678	1.3
300.16922	8.3
301.18164	2.3
329.13571	3.8
329.17581	92.9
329.20828	3.2
330.17773	10.5
330.20911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1762
Annotation	Dihydroguaiaretic acid
Peak:m/z	Relative Intensity
51.69740	0.4
54.30931	0.4
71.41065	0.5
85.99960	2.2
111.99583	0.5
113.99313	0.8
124.98999	0.4
135.04568	1.2
135.30696	0.4
166.01762	2.3
167.02164	3.1
168.01501	7.5
179.03575	1.1
196.64169	0.4
205.14072	0.4
243.10266	0.5
257.08286	0.7
257.11838	1.4
258.12613	6.3
259.13022	0.9
259.94363	0.3
271.13312	1.2
281.11917	1.5
286.11984	0.7
297.15030	1.2
299.12891	1.4
313.14481	8.2
314.15262	88.2
315.15607	8.0
329.17603	100.0
330.04080	0.5
330.17935	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	329.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93807	1.4
61.98814	2.6
69.55911	6.1
72.72558	1.8
87.04550	1.6
87.12363	1.5
94.92544	1.6
96.96025	2.3
102.93345	1.5
112.83273	1.4
129.64638	1.5
143.84120	1.4
170.88412	1.7
170.91092	1.9
183.11772	2.1
201.12781	1.9
212.12079	3.5
223.14941	3.2
225.16576	3.3
229.12183	2.4
238.13670	2.2
239.14455	4.2
253.16008	79.4
254.16325	6.9
255.17621	2.1
257.15512	18.9
269.15433	3.1
271.10471	1.5
271.13211	6.9
271.17023	6.9
272.10449	2.6
283.13345	2.7
284.10510	1.7
285.18649	63.2
286.18988	6.3
299.13013	8.6
299.15964	1.8
301.14429	4.3
311.12918	3.7
314.15219	2.6
329.13901	47.1
329.17596	100.0
330.14209	3.9
330.17712	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1762
Annotation	3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
Peak:m/z	Relative Intensity
57.36613	0.7
57.81849	0.7
61.98823	1.0
66.91158	0.6
70.87297	0.8
131.86664	0.6
159.06381	0.7
170.88370	1.0
170.91237	0.8
188.37007	0.6
216.07971	2.9
242.09561	1.4
256.11154	1.7
271.02518	1.3
284.14243	1.0
292.20303	0.6
299.01981	2.3
299.16568	5.6
314.04312	1.7
329.06723	1.8
329.17612	100.0
330.17929	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	329.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54369	0.3
57.77029	0.4
57.91695	0.4
60.70956	0.4
62.61632	0.4
63.52119	0.5
69.84015	1.1
70.28750	0.4
72.35419	0.4
76.27293	0.3
87.17905	0.3
91.42774	0.4
97.40715	0.4
104.80164	0.3
173.13350	6.4
174.13704	0.7
187.07671	0.8
200.08485	0.6
203.51468	0.4
213.09261	1.6
225.09239	0.5
229.08691	0.9
243.10226	1.3
255.10229	0.9
257.11774	0.7
269.11996	0.5
269.15494	1.2
271.17059	8.0
272.14194	2.6
272.17181	0.8
273.14886	0.4
281.15271	0.6
283.13391	1.8
283.16678	0.4
284.14175	10.2
285.14600	1.1
285.18542	2.8
286.15753	0.8
295.13431	0.5
296.14331	1.9
299.13177	0.5
299.16522	9.7
300.17004	1.1
301.18106	3.8
302.18222	0.6
311.16470	2.6
312.17078	0.4
313.14633	1.0
314.15265	28.8
315.15540	2.8
329.17593	100.0
330.17841	8.3
330.20575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98867	0.7
70.91402	1.1
70.91793	0.8
74.19997	0.7
80.28694	0.8
80.47101	0.8
86.72271	0.8
96.96016	1.1
132.36360	0.8
139.52226	0.8
147.38388	0.8
170.84525	0.8
186.98581	0.9
209.41669	0.7
212.77277	0.7
217.08762	1.5
229.08687	1.4
230.09489	2.3
271.02676	0.9
271.13562	2.3
285.14859	1.9
286.15509	0.9
299.01978	2.3
301.18115	3.3
302.18036	0.8
311.73663	0.7
313.14523	1.6
314.04404	2.3
314.15262	1.0
329.17609	100.0
330.17978	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	329.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
61.98829	2.6
63.53347	1.3
84.30153	1.2
84.76569	1.1
93.98486	1.2
96.96021	1.6
104.02881	1.3
158.67259	1.2
170.88376	1.5
170.91162	1.8
230.09531	2.1
243.10229	2.8
269.15460	3.6
286.15729	1.7
297.15012	2.0
299.16461	3.0
301.18112	14.6
302.18417	1.5
314.15347	2.3
329.17612	100.0
330.17593	10.0
330.21307	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	329.176
Annotation	3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
Peak:m/z	Relative Intensity
58.47351	0.4
63.88752	0.3
91.37998	0.4
106.83324	0.4
113.39413	0.3
135.22772	0.4
137.02428	0.4
137.06096	0.5
138.63576	0.3
150.91258	0.4
151.04024	0.4
178.06319	0.3
214.06410	0.5
215.07127	1.2
215.10771	1.4
227.10802	1.3
228.07877	0.4
229.12311	0.9
241.12422	0.5
242.13190	0.8
243.10294	3.3
243.13959	1.2
244.10811	0.4
245.11810	0.6
255.10307	1.5
255.13875	1.7
255.17540	0.8
256.14767	0.5
257.11887	1.9
267.13950	0.3
269.11874	0.6
269.15414	0.5
270.12442	0.6
271.13474	3.8
271.17059	13.7
272.14175	4.2
272.17401	1.4
273.11530	0.5
273.14682	0.6
281.15509	1.6
283.13892	0.7
283.17059	2.1
284.14035	0.7
285.15027	0.6
285.18436	0.6
286.15744	0.7
296.14236	0.7
297.14468	0.4
299.16544	22.0
300.16895	2.5
301.14902	0.5
301.18103	11.5
302.18399	0.9
311.16504	3.1
329.14258	4.2
329.17596	100.0
330.14410	0.5
330.17865	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	329.1763
Annotation	Dihydroguaiaretic acid
Peak:m/z	Relative Intensity
58.84483	0.9
69.17542	0.8
104.13071	0.9
258.08972	2.5
271.02402	1.1
271.09882	1.9
297.14935	2.5
299.01886	1.1
299.12793	3.0
313.14365	7.1
314.15274	100.0
315.15570	11.1
329.17612	88.6
330.17911	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	329.2127
Annotation	methyl phomopsenoate
Peak:m/z	Relative Intensity
57.29194	0.3
61.98857	0.5
62.90855	0.3
70.64060	0.6
91.69289	0.3
96.94017	0.3
96.96050	0.4
129.67874	0.3
162.06787	0.3
200.08473	4.7
201.09210	1.6
226.10036	0.6
240.11418	0.3
241.12364	64.4
242.12729	5.2
245.34363	0.3
267.14041	0.5
281.15543	0.8
283.17007	0.5
297.18622	100.0
298.18973	9.9
298.22342	0.6
299.16937	0.5
299.20200	1.9
300.20337	0.4
301.18225	0.5
329.17520	9.0
329.21167	40.5
330.17792	1.2
330.21484	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	329.2127
Annotation	methyl phomopsenoate
Peak:m/z	Relative Intensity
61.98841	0.8
63.64449	0.3
66.68919	0.3
67.55921	0.3
70.95948	0.5
90.27820	0.3
94.92506	0.4
96.96053	0.5
99.03503	0.3
114.21778	0.3
119.94747	0.3
121.90828	0.3
125.48238	0.3
125.80977	0.3
137.71996	0.3
138.79675	0.3
198.06868	0.3
200.08461	4.8
201.09238	0.6
226.10027	0.8
240.11421	0.4
241.12364	64.3
242.12717	5.7
265.08127	0.3
279.17734	0.4
281.15372	0.4
297.18625	100.0
298.18973	10.6
299.16870	0.6
299.20212	1.3
329.17685	3.1
329.21222	38.1
330.18027	0.6
330.21509	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	329.2337
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.90467	0.5
57.03445	1.5
69.03445	0.7
69.17683	0.5
69.24062	1.2
69.24470	1.6
69.73433	0.5
83.05031	1.2
84.02184	0.7
86.31179	0.5
92.73250	0.6
99.08176	6.6
111.82289	0.5
125.09705	1.6
127.11320	4.6
139.11304	7.3
155.10809	0.9
155.14413	1.3
157.12405	1.4
165.12778	0.7
167.14436	1.5
167.79333	0.5
171.10291	19.2
172.10544	0.6
174.03236	1.0
183.13896	5.9
193.12421	2.1
196.64105	0.5
201.86972	0.5
202.02751	1.7
209.11861	0.8
211.13422	30.5
212.13820	2.6
229.14470	17.1
230.02167	1.1
230.14798	1.7
258.01639	1.1
286.01303	3.7
289.60193	0.5
293.21503	1.2
311.22238	1.7
314.00745	1.4
329.03043	3.7
329.23367	100.0
330.23740	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	330.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52751	1.4
53.02687	1.2
65.77988	1.5
71.41668	1.5
72.99313	5.2
95.53229	1.5
118.03816	2.4
119.05090	2.2
120.05406	2.2
135.04564	1.6
140.05135	1.7
145.02988	5.2
145.58029	1.4
146.03314	5.8
147.03500	2.9
148.03778	2.4
152.01167	1.3
170.06155	8.0
181.05223	2.2
182.06013	2.1
183.03275	2.4
183.05432	2.2
184.05840	2.1
194.78212	1.6
197.04825	3.4
198.05585	7.9
209.04720	2.4
213.04349	6.2
224.03491	3.3
225.04340	8.7
226.05072	12.9
228.03108	3.6
239.05913	4.9
240.02942	8.2
241.03831	20.9
242.04555	17.0
243.17589	6.4
244.06151	21.5
245.06323	2.3
245.20508	1.4
252.03133	3.6
253.03821	100.0
254.04526	30.4
255.04819	2.3
258.04062	2.6
269.03296	10.2
270.03967	7.9
271.04739	6.0
287.16611	6.8
298.03601	12.3
312.05405	1.7
315.03967	11.4
330.06277	7.8
330.20721	10.6
331.15631	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	330.1197
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
59.01383	15.6
68.99825	1.0
69.65682	2.8
71.01388	9.1
72.99335	1.3
73.02959	0.9
83.01418	0.9
85.02953	3.2
86.00110	3.7
87.00880	21.3
87.01395	1.8
88.77210	0.7
89.02441	3.9
90.97163	0.9
93.19708	0.7
95.01401	1.0
99.00893	2.7
101.02476	4.3
107.03774	2.4
107.70008	0.7
111.00938	1.4
113.02464	1.8
117.01959	1.3
120.04517	1.0
121.05321	5.0
122.06135	39.7
123.06475	1.1
124.98877	1.4
125.02436	1.8
132.98184	1.8
133.05061	0.9
134.06117	4.8
135.03308	1.5
136.04079	1.1
136.07690	17.7
137.02432	1.1
138.05672	1.1
146.06116	2.2
148.04068	1.2
148.07715	1.2
149.04805	1.9
150.05621	100.0
151.04005	1.5
151.05949	3.4
152.07167	8.3
158.06165	1.0
158.99779	2.3
159.01465	0.9
159.03075	0.9
160.97699	1.1
161.04814	1.2
162.05620	3.0
164.07193	2.7
169.01453	1.6
173.01195	1.1
174.05603	2.5
174.99222	3.5
175.06389	3.4
176.07207	8.2
177.07570	0.9
186.05533	0.8
187.01120	1.1
188.00699	1.3
192.06738	2.0
194.08211	3.3
204.06668	2.0
212.97165	2.2
214.95169	1.0
222.07693	3.0
226.98723	2.0
233.49887	0.8
240.96718	1.5
242.98094	0.8
252.08737	2.0
270.97714	2.1
300.10791	1.1
312.10928	46.0
313.11237	3.6
323.90793	0.9
330.11966	22.9
331.06802	1.1
331.12119	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.87440	0.6
59.01078	0.9
59.01383	16.4
61.98838	26.5
68.85015	0.6
69.03463	2.8
69.98914	0.7
69.99242	1.3
70.09409	0.6
77.65056	0.6
79.01879	1.2
81.03477	1.3
83.01395	1.6
95.01390	0.8
97.02953	2.5
107.01395	1.7
113.62919	0.6
116.81573	0.6
117.00463	0.8
118.81613	0.5
119.00217	1.0
123.00906	4.7
124.01678	15.5
125.02462	58.9
126.02781	1.7
135.04552	0.7
137.02509	1.5
149.99596	25.8
151.00232	2.3
153.01961	3.8
159.01508	11.6
160.01662	2.4
161.01219	9.8
161.98944	1.1
162.33472	0.6
167.03484	1.1
168.00659	57.8
169.01277	4.7
172.97623	1.3
186.98442	1.8
187.01004	16.0
188.00826	4.8
188.98346	1.5
189.00694	16.9
189.03217	0.7
189.98485	10.1
190.00130	1.0
201.02612	2.8
202.02747	0.9
203.02354	2.4
204.00056	2.6
235.76125	0.6
243.00421	0.7
300.05389	0.6
313.05716	6.2
330.20673	1.1
331.06738	100.0
332.07104	7.1
332.10599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36133	0.4
53.65034	0.4
59.01369	1.3
69.43767	1.9
71.01381	1.5
72.99312	1.6
73.02965	0.4
74.02486	0.8
81.03483	0.5
85.03003	0.7
93.03488	0.5
98.21919	0.6
101.02444	0.7
108.02184	1.1
109.02970	29.4
110.03292	0.9
123.04546	2.3
128.03555	1.7
133.02983	1.8
135.04546	9.7
136.01689	1.6
137.02464	100.0
138.02797	3.6
141.20325	0.4
143.04677	2.0
147.04546	1.3
150.03276	0.5
151.04063	3.9
155.01790	0.9
159.04527	9.8
160.04964	0.4
161.02457	5.6
161.06062	1.1
167.01781	1.0
177.02010	0.8
179.03577	3.1
185.05959	0.6
187.07620	0.5
199.07472	0.5
210.08955	0.7
211.00703	0.5
213.09235	0.9
215.10750	2.6
225.09305	1.3
229.01764	4.0
243.10310	1.5
252.08221	0.5
253.05084	0.5
254.05870	1.5
267.06519	0.7
269.08228	16.6
270.08606	1.0
272.08868	1.0
287.09213	1.4
301.07028	0.6
316.09402	0.8
331.08365	3.8
331.14105	2.3
332.08191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
69.50507	2.3
72.99318	0.9
79.99250	0.6
93.03449	0.5
101.02415	0.6
103.05629	0.5
108.02197	2.1
109.02966	100.0
110.03298	2.6
115.05582	1.1
118.17486	0.5
119.05097	0.6
120.79588	0.5
123.04526	3.9
131.05042	2.1
133.02985	3.5
135.04546	11.0
136.01692	1.4
136.08246	0.5
137.02464	54.8
138.02803	1.9
145.02995	1.0
147.04536	3.2
150.03252	1.0
151.04010	4.2
159.04533	35.5
160.04948	1.5
161.02441	5.0
179.03499	0.8
198.06866	0.8
203.03645	1.2
225.05708	0.6
237.05615	1.3
251.07120	1.5
252.07982	1.4
253.05072	1.3
254.05913	3.6
267.06613	2.0
269.08218	58.4
270.08545	5.2
303.01593	0.5
331.08276	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	331.0828
Annotation	Dalparvin C
Peak:m/z	Relative Intensity
51.36133	0.4
53.65034	0.4
59.01369	1.3
69.43767	1.9
71.01381	1.5
72.99312	1.6
73.02965	0.4
74.02486	0.8
81.03483	0.5
85.03003	0.7
93.03488	0.5
98.21919	0.6
101.02444	0.7
108.02184	1.1
109.02970	29.4
110.03292	0.9
123.04546	2.3
128.03555	1.7
133.02983	1.8
135.04546	9.7
136.01689	1.6
137.02464	100.0
138.02797	3.6
141.20325	0.4
143.04677	2.0
147.04546	1.3
150.03276	0.5
151.04063	3.9
155.01790	0.9
159.04527	9.8
160.04964	0.4
161.02457	5.6
161.06062	1.1
167.01781	1.0
177.02010	0.8
179.03577	3.1
185.05959	0.6
187.07620	0.5
199.07472	0.5
210.08955	0.7
211.00703	0.5
213.09235	0.9
215.10750	2.6
225.09305	1.3
229.01764	4.0
243.10310	1.5
252.08221	0.5
253.05084	0.5
254.05870	1.5
267.06519	0.7
269.08228	16.6
270.08606	1.0
272.08868	1.0
287.09213	1.4
301.07028	0.6
316.09402	0.8
331.08365	3.8
331.14105	2.3
332.08191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1038
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
51.07892	0.5
59.01384	0.7
61.73706	0.6
71.01386	1.3
82.00611	1.5
85.02955	3.0
98.21844	1.1
100.14088	0.6
101.02463	0.9
101.86687	0.6
109.02969	0.6
110.00111	7.4
113.02448	2.3
124.01663	1.0
125.02464	7.1
137.02440	2.3
137.99605	8.3
139.00362	2.4
139.77895	0.6
140.01140	0.6
152.01212	3.8
153.01953	100.0
154.02612	4.4
155.03496	2.2
161.04607	0.7
164.86212	0.6
165.09079	0.7
166.02744	1.3
167.03500	12.0
168.04295	53.3
169.05075	9.4
179.03418	0.7
187.77516	0.7
198.04660	0.6
209.04558	1.1
211.06033	0.7
211.81062	0.6
214.91360	0.7
290.83734	0.7
299.08133	0.6
331.10321	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	331.1189
Annotation	Nagilactone D
Peak:m/z	Relative Intensity
58.66371	2.0
59.01386	51.5
69.03479	5.0
71.01385	33.6
71.40814	2.5
72.99298	5.3
73.02946	5.2
85.02958	7.6
86.49792	2.3
89.02457	35.1
95.01399	3.5
101.02448	24.1
113.02467	17.5
119.03520	13.0
135.04539	4.0
141.07137	6.5
150.43002	2.4
159.08270	2.5
161.04605	18.1
167.08675	4.7
169.10281	9.7
179.05647	5.6
186.18591	2.1
193.10283	7.7
195.11801	21.5
196.12257	2.3
197.09776	27.3
199.11436	2.6
207.11797	2.8
211.11295	33.4
212.11766	2.9
213.09256	9.2
213.12878	71.5
214.13229	7.3
225.13017	2.9
227.10747	4.4
239.10849	10.7
251.10802	8.2
257.08179	3.2
257.11813	3.9
269.11847	5.7
287.12943	46.1
287.16174	4.8
288.13336	3.1
313.10822	3.8
330.07736	2.2
331.11923	100.0
331.17776	19.6
331.21243	3.5
332.12314	7.4
332.18124	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	331.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00233	0.8
69.03455	3.6
74.88725	0.8
75.51663	0.8
80.52192	0.7
98.21814	1.7
141.07092	2.0
161.09723	6.1
167.08694	1.6
169.10271	4.7
171.08246	0.9
185.13319	5.1
187.11295	12.0
193.10208	4.4
195.08113	1.4
195.11813	7.1
197.09731	18.1
198.10361	1.2
211.11290	8.3
213.09477	5.8
213.12860	32.6
214.13193	2.3
219.13925	1.9
227.10835	1.4
231.13728	1.5
233.42688	0.8
239.10843	1.0
241.16043	6.6
243.17653	4.6
257.08243	2.4
257.11902	4.3
258.12305	1.3
269.11942	1.5
287.12930	100.0
287.16486	21.0
288.13269	9.1
288.16650	2.2
313.14316	2.5
331.12112	1.9
331.15521	48.3
332.15897	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31103	2.3
57.70701	2.8
58.45547	2.6
61.53289	2.5
67.65238	2.4
69.03467	5.1
71.17950	2.7
74.23042	2.8
82.17717	2.6
98.21863	6.0
101.02445	5.1
104.79182	3.1
124.29963	2.3
125.73490	2.7
131.03485	5.7
134.07362	3.0
141.07111	3.8
146.35255	2.7
149.09734	17.6
157.10211	6.5
157.52798	3.0
167.08636	2.7
169.10217	7.3
187.04189	2.6
188.84451	2.5
193.10199	8.5
195.11761	9.2
197.09735	21.6
199.07722	3.3
209.35587	2.5
211.11272	19.9
213.09241	4.6
213.12843	58.5
214.13199	4.6
227.91866	2.7
239.10809	2.8
257.08252	3.9
287.12933	100.0
288.13239	12.5
331.12003	5.6
331.15576	5.2
331.19083	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	331.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48730	1.3
69.03464	4.6
120.39839	1.4
141.07133	3.0
157.10204	2.2
161.09712	3.5
169.10283	5.8
185.13400	3.8
187.11327	5.3
193.10257	3.6
195.11772	6.7
197.09738	18.2
198.10155	2.3
210.74533	1.3
211.11288	12.0
213.09245	5.1
213.12856	40.0
214.13115	1.8
219.14040	1.4
227.25188	1.2
231.14056	1.6
235.85413	1.3
241.15982	4.0
243.17609	2.8
244.35832	1.3
257.08270	2.4
257.11877	4.7
269.11929	1.8
269.83054	1.2
287.12943	100.0
287.16440	9.7
288.13287	6.7
288.16632	1.6
301.14355	2.4
313.14688	1.6
331.12000	1.6
331.15512	23.2
331.19196	5.1
332.15829	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	331.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
55.02135	0.8
57.03437	3.3
58.00607	1.9
59.01385	100.0
60.01704	1.6
69.03460	0.7
69.14378	4.9
71.01391	50.2
72.99303	3.5
73.02958	4.9
76.66155	0.7
83.01400	5.5
83.05035	4.2
85.02962	13.8
85.90036	0.9
87.00871	3.8
89.02455	43.3
89.95028	0.8
94.97895	0.9
95.01402	4.4
99.00873	1.5
101.02456	36.4
107.08665	3.8
109.02959	8.1
112.98815	1.1
113.02463	18.5
119.03515	20.0
121.01076	0.9
125.02451	1.9
128.03575	1.5
131.03506	1.8
133.02968	2.2
135.04539	7.6
137.09753	8.2
143.03580	2.1
143.04602	2.3
151.07654	4.8
155.01759	1.5
155.10808	17.2
159.04555	1.0
161.02467	2.5
161.04602	2.2
161.06097	6.2
167.01707	1.0
179.05676	2.2
181.08733	2.3
185.06081	5.4
186.06874	1.3
187.07709	2.9
199.07961	2.1
199.09778	55.3
200.08475	1.0
200.10103	2.4
209.06165	1.1
209.83621	0.8
211.07619	1.0
213.05646	1.8
213.09224	7.1
215.07410	0.9
215.10777	17.1
223.07791	0.9
225.09206	7.3
229.01744	3.1
243.10274	9.9
244.10695	1.3
269.08139	2.5
287.09286	8.4
288.09668	1.0
331.08112	2.0
331.14005	49.6
332.14310	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	331.1553
Annotation	Gibberellin A61
Peak:m/z	Relative Intensity
55.66827	0.7
58.02758	0.7
64.51099	0.7
65.04521	0.8
66.46152	0.8
90.78706	0.8
98.21791	1.3
111.50526	0.8
175.11191	1.1
196.09048	1.3
202.06348	0.9
227.05437	1.0
227.14493	3.4
239.10901	0.9
241.15916	1.3
243.17558	87.7
244.17859	6.7
254.04280	2.2
261.18661	6.7
287.16556	78.7
288.16965	7.2
331.15540	100.0
332.15845	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	331.1554
Annotation	Gibberellin A61
Peak:m/z	Relative Intensity
57.54930	1.4
61.93880	1.4
64.46484	1.2
64.46870	1.3
69.03452	5.3
70.53291	3.3
81.73662	1.2
92.24066	1.3
111.00057	1.4
121.40871	1.2
135.73486	1.4
141.07100	3.0
143.53781	1.3
161.09723	10.1
167.08778	1.6
169.10258	6.0
185.13393	7.4
187.11314	18.2
187.15059	2.1
193.10236	3.0
195.11781	6.7
197.09781	14.9
198.10431	1.6
209.09975	1.7
211.11298	11.1
213.09375	7.5
213.12860	32.5
214.13196	2.6
219.13985	3.8
231.13887	2.4
241.15993	9.7
243.17538	6.2
251.10971	1.8
257.08295	3.7
257.11847	3.7
269.11945	2.9
269.15323	2.0
287.12949	100.0
287.16516	29.7
288.13290	8.6
288.16425	1.6
301.14539	1.9
331.12247	2.4
331.15549	64.5
331.19037	2.4
332.15945	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	331.1556
Annotation	epi-Norcembrene
Peak:m/z	Relative Intensity
57.03439	1.9
60.42498	0.7
60.89081	0.6
69.22636	0.6
69.25266	3.1
70.74474	0.8
77.63594	0.7
82.36676	0.6
89.06290	0.7
163.55479	0.7
177.58029	0.7
201.12909	1.4
211.14943	1.1
213.16524	76.8
214.16856	6.3
225.16417	0.7
227.14479	2.2
243.17587	2.3
257.15558	5.3
269.15506	2.6
287.16553	45.3
288.16943	3.9
295.17154	2.8
313.18253	2.1
331.15555	100.0
331.18982	4.8
332.15912	10.0
332.19617	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1766
Annotation	Rosiridin
Peak:m/z	Relative Intensity
51.88279	0.7
55.01881	6.7
57.03459	4.9
58.00592	1.5
59.01385	67.4
60.01733	1.0
71.01389	100.0
72.01727	1.3
72.99304	2.6
73.02954	31.7
75.00896	1.5
83.01395	16.1
85.02959	45.1
87.00885	3.3
89.02454	21.4
95.01401	7.1
97.02961	2.8
98.22630	1.8
99.00889	11.0
101.02455	80.8
102.02777	1.6
104.48513	0.8
111.00910	1.0
113.02460	44.5
114.02779	1.2
115.04051	0.8
119.03532	6.2
120.17435	0.9
125.02459	2.7
128.61537	0.8
129.01918	1.8
131.03464	1.3
131.45392	0.8
135.04491	0.9
143.03481	5.2
151.11378	1.1
159.02998	9.6
161.04578	52.6
162.04935	1.5
179.05563	1.0
199.09814	0.9
212.36115	0.8
331.07477	1.1
331.11707	1.0
331.17642	20.1
332.18115	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	331.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98823	1.1
59.01386	100.0
65.70874	1.1
67.18652	1.2
69.27331	4.4
71.01393	5.9
73.02948	1.7
85.02957	3.6
88.19022	1.1
89.41482	1.0
101.02457	4.9
113.02454	2.5
161.04597	3.1
232.60803	1.1
289.16718	1.7
291.70190	1.0
301.02524	1.5
316.04831	2.2
331.07196	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	331.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08580	0.3
69.56903	0.2
88.90087	0.3
91.80298	0.3
98.22704	0.7
173.05881	0.3
173.09714	1.3
199.67250	0.4
201.09210	4.9
203.10727	0.4
211.99974	0.3
214.10043	1.3
214.32420	0.3
229.12392	1.3
231.13947	1.0
241.12350	1.0
243.13972	0.9
253.16023	0.7
255.17593	3.4
257.15442	1.7
258.64795	0.3
262.30890	0.3
271.17047	2.9
271.26563	0.3
272.17676	0.6
283.17065	1.1
287.20209	100.0
288.17303	0.6
288.20544	10.5
299.16589	0.8
301.18124	35.6
302.18417	3.8
303.19720	1.1
304.16699	0.5
313.18060	2.7
331.19171	73.6
332.19568	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	331.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21917	0.1
59.01371	0.2
71.16723	0.2
81.83614	0.2
99.16504	0.1
101.67257	0.1
105.08499	0.1
112.10712	0.1
114.03452	0.1
125.87057	0.1
130.42778	0.1
135.04529	0.3
148.49847	0.1
151.07610	0.4
179.03539	0.1
199.07648	0.4
201.09250	0.2
202.06419	0.2
204.07884	0.3
212.08443	0.2
213.09122	0.2
214.10034	1.3
215.10690	0.2
227.10794	4.2
228.11160	0.7
229.08685	0.5
230.09402	0.5
240.11569	0.3
241.08665	0.2
242.09386	0.2
243.09953	0.2
244.10522	0.1
253.12445	1.1
254.12772	0.3
255.13925	0.4
256.11041	0.7
257.11835	0.2
267.13916	5.9
268.14563	2.9
269.15219	0.4
270.12674	0.3
271.17041	0.3
272.10626	0.2
283.17056	85.3
284.17398	8.9
285.11365	1.9
285.18655	0.7
286.11960	0.2
286.18982	0.2
295.17056	0.2
298.15738	0.5
300.13553	0.3
301.18066	1.0
313.18127	7.1
314.18512	0.5
331.19165	100.0
332.19525	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	331.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50050	0.2
69.09882	0.2
187.07684	3.7
188.08134	0.3
189.09137	0.3
191.52577	0.3
192.91032	0.2
193.03227	0.3
199.07663	1.0
200.06850	0.3
200.08478	1.8
201.09143	0.5
202.10028	0.4
204.13585	0.3
212.08438	0.5
213.09212	0.4
214.10042	0.3
214.13556	0.3
215.10710	0.5
219.80441	0.4
227.10754	2.4
242.13194	2.0
243.13844	0.4
244.10806	0.6
246.88702	0.3
256.14685	0.3
267.13889	0.3
268.14465	0.5
269.15491	5.3
270.15982	0.6
271.17056	30.7
272.17349	2.5
283.17065	15.8
283.20279	0.6
284.17404	1.3
298.15875	0.3
299.16525	3.3
300.17227	1.3
301.18106	39.2
302.18497	4.1
313.14804	0.4
313.17999	1.6
329.17764	0.3
331.19165	100.0
332.19522	11.2
352.63489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46978	0.4
70.32170	1.2
72.54678	0.5
111.73103	0.5
151.07675	0.7
165.09224	7.6
166.09558	0.7
167.75807	0.4
214.10074	0.5
227.10738	2.4
230.09445	0.6
245.08447	0.5
253.12503	0.5
267.13995	2.3
268.14603	0.8
270.16275	0.7
271.17078	2.1
273.11234	0.5
273.37894	0.4
283.17056	28.7
284.17447	2.8
285.18561	0.9
287.17087	0.8
287.20129	3.6
298.15677	6.1
299.16446	1.9
299.20120	0.5
301.18173	4.3
313.18039	8.1
314.18851	3.4
331.19153	100.0
332.15775	0.8
332.19565	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	331.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.3
67.81796	0.9
69.19206	2.6
69.19617	2.5
80.27364	0.8
107.02786	0.8
119.69927	0.8
157.28954	1.0
161.02394	0.7
166.23936	0.8
176.62526	0.7
180.55565	0.7
187.07619	1.1
201.24339	0.9
227.10710	1.1
242.13065	1.2
271.17047	24.1
272.17398	2.2
283.17053	9.2
299.16592	2.7
300.05194	1.1
301.18106	34.4
302.18439	3.6
313.18240	1.3
331.19162	100.0
332.19519	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	331.1918
Annotation	Japodagrone
Peak:m/z	Relative Intensity
52.00488	1.6
54.35965	1.9
61.98829	2.4
285.14713	2.0
297.25470	1.8
301.18124	100.0
302.18491	9.6
303.19699	7.3
331.19171	93.4
332.19568	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	331.192
Annotation	11,12,14-Trihydroxyabieta-8,11,13-trien-7-one
Peak:m/z	Relative Intensity
61.98838	0.9
67.05524	0.8
73.27674	0.5
81.03477	0.4
86.62427	0.4
95.01333	0.4
108.29324	0.4
119.08715	0.9
135.08173	1.1
135.12383	0.5
137.02422	2.4
137.06081	0.6
152.04810	1.6
157.06691	0.6
163.07742	0.8
164.04823	0.7
165.02190	0.5
165.05571	1.4
167.07109	1.4
179.07155	3.6
180.44139	0.4
181.70999	0.4
191.14465	3.1
207.06587	2.2
208.07324	1.3
219.13940	0.9
229.12508	0.8
231.10114	0.5
241.16011	15.1
242.16370	1.1
245.11823	0.7
247.13489	1.9
259.02045	0.5
259.17969	0.4
259.20694	1.3
260.14191	0.6
269.19125	1.8
271.17056	1.5
273.11401	3.2
281.19193	1.4
283.17084	2.4
285.18665	0.9
287.17023	0.6
287.20212	2.3
288.13727	2.3
298.15704	0.5
299.20190	30.4
300.20660	3.0
301.14618	0.5
301.18109	1.6
302.19174	0.6
303.19681	12.9
304.19995	0.9
313.14697	0.5
313.18048	2.5
331.19180	100.0
331.22733	7.9
332.19534	10.6
332.23181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1921
Annotation	Lonchophylloid A
Peak:m/z	Relative Intensity
57.13277	1.3
61.98830	4.2
63.66040	1.2
70.50723	1.0
70.68336	2.2
72.80462	1.3
105.25098	1.3
116.92880	1.9
123.53441	1.1
131.05077	1.9
133.06610	2.3
161.06088	4.4
207.76276	1.2
217.12325	2.6
227.10748	1.5
245.11818	1.9
257.11853	1.3
258.12683	9.1
273.18640	10.4
283.17056	4.5
286.15723	1.6
299.16687	5.8
299.19510	1.7
300.17261	3.2
301.18109	100.0
302.18451	8.9
331.19177	84.6
332.19531	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	331.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37576	0.2
65.53853	0.2
67.41718	0.2
67.76484	0.2
70.19087	0.2
70.47007	0.4
76.22798	0.3
165.38515	0.2
187.07573	1.5
199.07657	0.4
200.08475	0.7
226.09700	0.3
227.10756	1.2
241.12097	0.3
242.13139	0.9
244.10904	0.4
255.14326	0.3
256.14545	0.3
257.19418	0.2
271.17062	19.6
272.14194	1.0
272.17395	2.2
273.18481	0.3
283.17059	7.4
283.20175	0.4
284.17404	0.7
299.16583	1.8
300.17050	0.8
301.18109	35.6
302.18448	4.5
313.18124	5.7
314.18503	0.7
329.17636	1.0
331.19165	100.0
332.19519	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	331.1918
Annotation	Eriocasin B
Peak:m/z	Relative Intensity
61.35680	0.5
70.96179	0.6
86.86880	0.5
163.04109	0.5
164.04790	1.6
164.08446	0.6
178.06378	0.8
178.10056	1.4
179.07162	37.0
180.07562	1.9
183.01697	0.5
203.07172	1.7
203.10855	0.6
216.07980	0.6
217.08664	6.5
217.12221	0.9
229.12270	0.7
231.10271	5.6
239.11176	0.6
245.11841	0.6
269.15527	0.7
269.18988	0.8
270.16281	14.1
271.16858	1.7
273.18652	1.3
283.13437	2.5
285.18643	40.7
286.19034	3.0
287.16595	1.4
287.20148	1.6
298.15790	17.4
299.16260	1.6
299.20230	1.6
301.18033	2.6
303.19635	5.9
304.20227	0.7
313.18179	5.7
314.18396	0.9
331.19177	100.0
332.19547	11.0
352.90924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1918
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
69.10250	3.4
69.10656	1.2
136.18697	0.8
243.10262	0.7
254.96155	0.7
270.16223	8.5
283.13284	1.5
285.18695	3.5
287.20386	1.1
290.33133	0.8
298.15771	41.2
299.16028	5.2
313.18146	5.3
314.18454	1.1
331.19168	100.0
332.19485	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	331.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06435	0.2
57.25742	0.2
59.89867	0.2
67.79825	0.2
69.85058	0.2
69.85415	0.6
137.02299	0.2
157.50763	0.2
179.71419	0.2
195.12424	0.2
215.07152	0.2
216.68880	0.2
217.08693	0.7
229.08702	1.5
230.09550	1.6
231.10226	0.5
243.10315	1.2
244.11089	1.9
245.11583	0.2
298.15729	0.4
299.16553	6.3
299.40085	0.2
300.16913	0.6
301.14502	1.0
313.18329	0.5
315.16016	0.9
316.16675	0.8
331.19177	100.0
332.19522	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	331.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05935	0.2
61.74739	0.2
69.15078	1.3
71.25763	0.2
87.66263	0.2
92.12149	0.2
97.11413	0.2
98.21925	0.5
105.76048	0.2
214.76915	0.2
215.07195	0.2
217.08755	0.8
229.08682	1.9
230.09451	1.7
231.10283	0.5
243.10321	1.6
244.11050	2.8
245.11604	0.3
267.08133	0.2
273.11554	0.3
287.20224	11.8
288.20584	1.5
298.15683	0.2
299.16550	5.6
300.16943	0.6
301.14444	1.3
301.17929	0.4
315.16159	1.2
316.16702	0.8
331.19180	100.0
332.19492	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	331.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40868	0.3
60.57712	0.3
70.33011	0.6
71.62762	0.4
87.30809	0.3
116.52044	0.4
118.04612	0.3
137.02473	0.9
164.08446	1.4
165.09215	1.0
192.07993	0.5
196.02742	0.4
204.08057	0.5
219.13878	0.4
229.08659	0.7
230.09457	1.6
231.10213	0.7
243.10243	2.5
244.11053	2.2
271.16989	0.8
273.11185	0.5
287.16556	0.7
288.13724	1.1
298.15784	0.5
299.16565	4.2
301.14349	0.6
301.17941	0.6
315.15814	0.8
316.16531	0.7
330.18262	0.4
331.19168	100.0
332.19540	10.2
332.23514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62458	0.2
51.29900	0.2
57.17451	0.2
69.25816	1.1
71.04999	0.3
85.06604	0.4
86.90799	0.2
88.11108	0.2
97.69496	0.2
99.55334	0.2
116.33415	0.2
152.52867	0.2
162.04053	0.3
185.06033	0.3
200.08440	0.5
201.09216	4.5
202.09662	0.4
203.10730	2.2
213.09233	0.6
214.09995	2.4
215.10687	0.8
218.09520	0.3
227.10864	0.2
228.11319	0.3
229.12350	2.1
230.12936	0.6
241.12332	0.3
243.13890	0.4
245.15485	5.1
246.15862	0.4
257.15512	0.3
258.12540	0.7
266.82587	0.2
267.13934	0.3
269.15518	0.8
283.17068	2.5
285.14948	0.3
286.15796	0.3
299.16632	1.8
300.17084	0.6
301.18109	80.7
302.18442	7.1
303.19739	0.5
313.18143	4.0
331.19165	100.0
332.19534	10.1
332.23553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.192
Annotation	19-Hydroxy-royleanone
Peak:m/z	Relative Intensity
61.98838	3.6
66.12931	1.2
67.36469	1.4
70.19104	2.6
84.69852	1.2
94.95350	1.2
116.92889	2.4
170.41876	1.3
201.05630	1.7
227.10667	1.5
228.11504	1.3
230.09357	1.7
244.10815	2.7
245.11565	1.7
257.11829	2.6
258.12631	7.9
258.86273	1.4
271.16971	1.6
273.18738	2.7
283.17203	5.2
284.17657	2.1
286.15448	2.3
299.20190	100.0
300.17017	8.1
300.20654	9.4
301.18112	73.1
302.18604	8.6
331.19153	86.5
331.22818	15.2
332.19699	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	331.2284
Annotation	Tessmannic acid methyl ester
Peak:m/z	Relative Intensity
54.54314	0.4
59.01333	0.5
61.98806	1.1
68.70281	0.4
69.17574	2.9
91.90782	0.5
97.97572	0.5
98.22654	1.1
109.39236	0.6
116.92824	0.9
179.10846	0.5
183.63852	0.5
215.10709	1.2
228.11433	0.9
283.17059	1.1
283.92654	0.6
284.17773	2.1
299.20193	100.0
300.20511	10.5
301.21646	1.3
321.68158	0.5
331.22803	19.2
332.23050	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	331.2282
Annotation	2alpha-Methoxy-3alpha,4alpha-epoxy-ent-cleroda-13(16),14-diene-15,16-oxide
Peak:m/z	Relative Intensity
56.35967	0.5
61.98820	1.0
62.83349	0.5
69.80643	1.8
70.52059	0.5
80.18026	0.5
87.65150	0.6
116.92838	1.0
121.24052	0.5
125.63271	0.5
137.99268	0.5
258.12592	0.6
273.18552	1.3
299.20084	2.2
301.18137	10.2
315.19635	4.9
316.20444	100.0
317.20767	10.3
331.19083	4.2
331.22763	28.1
331.26086	0.4
332.23184	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	333.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91916	0.2
57.50607	0.2
59.00686	0.2
62.96413	0.3
69.86461	0.3
78.95913	100.0
96.96971	18.4
103.55916	0.2
118.05457	0.2
120.96978	0.2
150.98061	1.0
152.99606	71.8
153.99933	1.3
171.00659	8.9
172.29099	0.2
186.15901	0.2
223.00154	1.0
241.01213	33.3
242.01636	1.1
259.02228	2.0
333.05954	77.0
334.06256	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0884
Annotation	Daibucarboline B
Peak:m/z	Relative Intensity
50.27056	0.5
59.01371	1.5
61.75416	0.5
65.99860	4.4
79.76145	0.4
98.21909	1.6
100.14827	0.4
102.96858	0.4
104.46105	0.5
105.03451	0.7
109.02966	8.6
111.86795	0.5
115.01916	0.7
116.05074	40.1
117.05385	1.2
121.02970	0.9
131.03763	0.6
132.02185	2.8
132.04526	0.5
133.02969	31.4
134.03319	1.3
140.05104	0.7
144.04590	0.5
145.02997	1.0
146.02480	2.4
147.03279	76.7
148.04086	7.5
149.02489	0.8
155.06136	0.9
159.03242	0.8
160.02895	0.7
160.04094	6.6
161.02454	0.5
167.06169	2.1
172.03998	0.7
175.02753	2.9
176.03583	4.1
177.01990	0.4
188.03545	9.2
189.04214	1.4
190.05161	2.6
204.03021	1.2
204.61296	0.6
216.03018	3.9
217.03734	1.4
234.09044	0.5
244.07527	0.7
247.06435	0.6
248.07262	0.8
260.07269	0.7
262.08817	3.4
271.08740	0.9
288.08957	0.7
289.09851	4.2
290.10172	0.7
302.18665	2.4
303.18826	2.0
305.09360	18.8
306.09735	1.3
315.19592	2.0
332.19547	3.2
333.08832	100.0
333.19675	3.0
334.09143	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	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28716	0.7
59.01382	10.6
61.98837	9.6
71.01385	2.9
71.15783	0.6
71.30561	0.8
72.99297	1.7
73.02963	0.9
80.05077	1.0
81.39927	0.6
83.01409	0.8
83.28170	0.7
85.02953	1.1
92.05074	2.5
94.06622	4.3
101.02436	2.7
103.04288	0.8
104.05078	3.0
105.03461	2.7
106.06636	12.1
107.05125	0.7
108.04538	1.4
111.00847	0.9
113.02471	1.0
119.03624	0.8
120.04572	6.2
121.02931	1.6
121.05357	1.8
122.03812	1.0
122.06131	14.9
123.03280	2.3
123.04521	1.9
123.06467	0.8
123.09153	1.0
131.03821	1.0
132.04564	7.5
133.02942	1.6
134.03734	1.0
135.04546	9.3
136.04878	1.2
138.05623	24.0
139.05983	0.9
143.04686	0.9
148.04022	1.5
149.02454	3.1
150.03230	2.2
150.04510	0.8
150.05580	3.6
151.03998	1.9
161.02428	2.4
163.04071	1.8
164.04813	2.5
165.01987	1.3
165.05571	2.8
167.02194	1.1
167.03490	5.6
171.10335	1.3
174.12932	1.1
179.03500	1.8
189.07967	1.7
197.04561	1.0
215.11996	1.3
217.07481	1.8
241.09827	2.9
243.11388	1.7
289.11960	100.0
290.12335	8.4
333.10733	4.1
333.13614	2.3
333.16147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49334	0.6
55.01878	0.6
58.87980	0.5
59.01372	0.5
61.16239	0.6
69.03462	2.8
80.05024	0.8
90.91593	0.5
92.05064	2.5
94.06634	4.0
98.21809	1.1
103.04318	0.7
104.05079	2.8
105.03471	1.6
106.06640	11.8
107.03818	1.8
108.04565	1.1
120.04575	5.7
121.05354	1.7
122.06139	14.7
123.03297	2.7
124.07678	0.9
131.03766	1.1
132.04561	7.5
135.03271	0.8
138.05624	21.2
139.05956	0.9
148.04041	0.9
150.05598	2.2
158.20866	0.7
166.05124	0.9
185.00945	0.8
188.07243	1.1
189.07942	1.6
213.06732	1.0
215.11932	1.3
217.07463	1.1
224.21968	0.5
228.09044	0.9
229.10147	1.3
231.09090	0.9
231.11392	1.1
241.09879	3.1
243.11458	1.8
244.74002	0.6
289.11975	100.0
290.12329	8.0
333.10928	6.6
334.11481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92898	1.4
59.01386	100.0
71.01390	3.5
76.99676	1.6
80.56367	1.4
85.02972	2.9
101.02448	4.5
106.62942	1.5
120.49415	1.7
128.25130	1.5
129.50624	1.6
133.02899	2.9
135.04477	1.8
137.47453	1.5
145.63860	1.6
161.02469	6.7
161.04593	1.9
212.63507	1.5
215.71964	1.6
232.12030	3.1
245.18213	1.5
283.17090	2.3
291.18225	4.8
315.19672	39.4
316.20081	3.8
333.20676	25.0
334.21057	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	333.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
59.01385	100.0
60.01726	1.5
71.01396	3.6
71.26550	1.4
73.02958	1.5
76.13141	0.9
85.02986	1.6
94.18336	0.9
101.02476	3.8
113.02483	1.4
135.04564	1.2
161.02440	1.7
161.04604	2.0
274.21667	0.9
291.18146	6.4
333.20749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69915	0.9
59.01386	100.0
60.01720	1.0
69.31937	4.4
71.01388	6.0
73.02956	2.0
78.27325	0.9
78.42988	0.8
83.01401	1.7
83.44910	1.0
85.02979	3.0
89.02496	1.0
99.00950	1.1
101.02457	6.3
108.91854	0.7
113.02448	2.3
119.75974	0.9
161.04599	2.9
178.15421	1.0
193.15451	0.9
233.95900	0.9
291.18115	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	333.2076
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
54.93824	1.0
55.06829	1.1
55.85653	1.2
57.44070	1.1
61.98843	1.5
69.35466	6.7
103.64874	1.4
116.92822	1.7
136.51825	1.1
192.95825	2.0
229.12239	1.5
244.14709	4.5
258.16339	1.3
273.18637	36.9
274.18997	4.1
285.18631	12.9
286.19077	1.3
301.18066	2.8
303.19662	25.4
304.20047	2.3
315.19696	5.2
331.19220	1.4
333.20718	100.0
334.21045	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	333.2074
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
69.78989	0.8
69.79356	0.3
75.45953	0.2
77.63747	0.2
89.22425	0.2
98.21959	0.3
109.06602	0.7
125.09711	0.5
136.05322	2.8
137.06078	0.7
147.08134	0.3
149.09692	0.4
150.06880	2.8
151.07645	0.6
162.06891	0.4
164.08461	1.2
165.09222	24.3
166.09570	1.3
176.08490	0.6
177.09229	7.4
178.09586	0.5
180.07846	0.4
194.09488	1.6
195.10239	3.2
226.08470	0.3
285.18625	4.3
286.18964	0.4
297.18695	1.8
303.16660	0.3
303.19662	7.8
304.20078	1.1
315.19659	6.2
316.19897	1.2
331.19174	1.6
333.20721	100.0
334.17038	0.5
334.21060	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	333.2074
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
55.49673	1.6
55.95546	1.9
56.65091	1.6
60.01215	1.9
69.28958	1.9
69.68208	1.7
69.93250	1.9
69.93578	4.2
83.05062	1.6
121.41006	1.7
139.07619	2.4
155.07143	4.3
164.08359	2.5
228.15155	2.2
245.19141	11.6
259.20776	2.1
261.22214	47.8
262.22595	3.0
271.20660	23.5
273.18448	2.2
285.18423	2.9
287.20203	12.9
289.21741	59.2
290.22156	6.5
315.19604	8.3
333.20731	100.0
334.21072	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	333.2077
Annotation	7beta-Hydroxy-lathyrol
Peak:m/z	Relative Intensity
61.98785	0.2
69.57005	0.2
70.69633	0.3
78.90786	0.2
114.08069	0.2
119.81968	0.2
123.08189	0.3
137.09668	0.2
159.67926	0.2
164.08469	2.7
165.09123	0.6
177.09195	0.3
181.08719	0.3
191.07132	0.8
196.07442	0.5
201.09215	0.6
215.07138	0.2
215.10779	0.5
217.08772	0.3
229.08675	0.9
230.09512	0.2
231.10143	0.6
243.10289	4.0
244.11029	4.5
245.11479	0.4
257.11884	1.3
257.15512	0.6
271.17111	0.3
272.14252	1.2
272.17859	0.8
282.16373	0.4
285.14999	0.6
285.18582	0.5
287.20316	0.3
297.18488	0.4
299.16602	1.5
300.17258	1.9
314.18814	0.4
315.19675	100.0
316.20007	11.2
325.48315	0.2
333.20731	28.8
334.21094	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	335.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63509	0.3
58.01293	0.4
59.01369	0.6
71.01356	0.3
71.42976	0.3
72.99293	1.2
108.56664	0.3
109.02939	1.1
121.02950	0.4
123.04536	0.9
132.57416	0.4
133.02975	2.4
134.03810	0.5
135.04544	7.3
141.67120	0.3
149.02402	0.8
150.03194	0.5
151.04024	0.8
161.02451	5.6
173.02310	0.4
176.03038	0.3
179.03619	2.0
179.04973	0.6
191.05035	1.3
197.04581	1.1
197.06172	0.7
207.04451	0.8
219.04405	0.5
234.03308	0.6
235.04057	3.3
253.05067	3.0
254.05307	0.5
262.02710	0.4
263.03513	100.0
264.03839	8.7
267.06534	0.4
281.04526	0.6
291.03036	1.0
307.02234	0.5
311.05576	1.2
318.01697	0.7
335.02002	97.4
336.02286	9.3
339.05148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0774
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
51.25067	0.4
59.01379	2.7
69.07481	2.8
70.17160	0.4
72.99327	0.4
73.02956	1.7
78.49783	0.3
81.03468	0.6
81.89111	0.4
83.05019	2.2
85.02938	0.5
91.05515	0.5
93.03467	12.9
98.21901	1.0
99.00892	0.6
99.04542	0.8
105.11694	0.4
107.05050	1.9
109.02955	0.9
111.04516	4.4
116.62523	0.4
117.03491	0.6
123.04569	0.5
133.02968	9.0
134.03796	6.3
135.04539	100.0
136.04863	3.7
137.02466	4.7
138.62959	0.4
155.03539	1.9
161.02457	25.3
162.02794	0.9
173.04567	2.1
179.03513	82.2
180.03851	3.7
203.12924	0.8
263.03427	0.9
317.47247	0.4
335.07748	22.4
336.08203	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2231
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
55.83242	0.4
72.99319	1.2
77.53657	0.4
83.26734	0.4
84.98605	0.4
85.05557	0.4
119.56928	0.5
133.02943	0.6
135.04564	1.2
157.89081	0.4
161.02483	1.3
335.22311	100.0
336.18927	0.9
336.22653	9.5
336.26273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97630	3.1
55.90734	2.9
59.01360	3.5
65.00303	4.7
69.49245	9.2
73.93654	3.3
81.07144	3.5
98.22650	6.6
109.31308	2.9
119.83201	3.0
135.04538	100.0
136.04793	4.0
161.02438	4.7
165.01945	40.4
232.57310	3.3
236.54901	3.2
236.57259	3.6
301.07260	57.3
302.07581	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	337.057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.1
59.01382	25.1
71.01389	5.7
72.99323	1.4
73.02951	2.1
76.13898	1.0
80.71082	1.1
83.01395	6.8
85.02961	2.2
87.00890	7.5
89.76706	0.8
93.03468	3.1
95.01411	1.1
96.99367	1.0
99.00888	11.9
101.02431	1.8
107.04995	1.1
108.02137	1.1
109.02959	14.1
113.02437	1.1
115.00388	14.1
119.05019	2.5
121.06602	4.1
122.03683	1.2
123.04573	1.5
124.97107	0.8
125.02464	1.2
127.00393	1.1
133.02983	10.6
134.03685	1.4
135.04546	13.7
136.74283	0.9
139.00394	1.4
143.05093	1.0
145.02969	4.6
146.03746	1.1
147.04562	6.4
148.05334	6.2
149.06099	100.0
150.03217	1.8
150.06432	4.6
151.03987	1.3
157.01421	1.1
159.03044	1.9
159.04492	3.0
161.02458	29.6
161.06079	3.2
162.02835	1.9
163.04016	6.4
165.05566	3.3
173.04533	2.1
174.03203	2.8
175.02483	11.4
175.04021	13.9
177.01939	14.1
177.05586	2.7
179.03526	5.5
187.04016	1.7
188.04689	1.2
189.05568	5.1
191.00298	5.7
191.03542	2.7
191.05612	10.2
191.07109	1.2
193.05077	14.5
201.05681	1.0
203.51350	1.1
205.05072	3.4
205.98976	3.2
206.02219	3.8
219.02997	27.6
220.03416	1.3
222.99301	1.5
231.06598	2.3
233.01399	2.7
233.04582	14.6
234.04996	1.0
234.99217	6.2
236.66985	0.9
237.04063	52.7
238.04295	2.1
248.97353	0.9
249.07704	3.2
249.97722	1.1
277.00308	16.6
277.03516	6.1
278.00537	1.4
293.06729	6.8
319.04697	1.7
337.05872	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	337.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77732	0.8
55.01871	0.9
57.03464	1.2
59.01386	14.4
67.01897	6.3
69.03454	1.5
71.01377	4.4
85.02976	5.4
87.00874	2.9
93.03471	36.8
94.03799	1.5
99.00888	5.6
99.04558	1.0
105.03527	1.0
109.02980	1.5
110.40161	1.0
111.00871	2.0
111.04535	7.7
119.05040	28.4
127.04019	1.7
133.02916	2.2
134.03740	3.8
135.04527	5.0
137.02455	5.5
145.02957	2.0
147.04451	1.2
149.06108	3.8
155.03531	4.9
160.84230	2.2
161.02414	1.6
163.04034	22.7
164.04367	1.0
173.04565	100.0
174.04872	4.3
179.03522	2.0
191.00261	4.7
191.05630	47.5
192.06058	1.3
205.98970	3.2
211.07610	2.2
222.99185	1.1
228.07162	1.6
233.01314	2.3
234.99278	3.8
247.10818	2.8
248.11705	4.8
249.84618	1.0
249.97952	1.9
260.11499	2.2
263.14035	7.1
275.14035	1.1
277.00369	13.4
278.00531	1.1
293.13763	1.1
337.09305	3.8
337.12894	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	337.0934
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.01879	1.8
57.39715	0.7
59.01378	2.3
67.01900	4.5
69.03462	1.3
69.41780	3.4
70.82059	0.7
71.01393	2.8
72.99319	3.3
81.03493	1.0
83.05037	1.6
85.02950	2.9
85.76851	0.7
87.00880	0.8
93.03471	30.0
94.03809	0.8
99.00893	20.6
99.04516	1.1
101.02473	0.9
109.02955	1.3
111.00887	2.3
111.04533	10.2
119.05044	26.1
129.05566	0.8
137.02475	4.6
155.03537	7.2
161.02493	1.8
163.04034	29.0
164.04350	1.0
173.04570	100.0
174.04893	4.8
175.06194	0.7
191.05708	3.8
250.06729	0.8
327.08524	0.8
337.09262	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	337.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15599	3.5
59.01378	12.3
69.63090	4.3
71.01382	19.3
71.40524	5.0
73.02969	5.4
85.02966	18.9
85.03424	4.0
87.00877	4.8
93.03472	12.1
99.00887	4.1
101.02454	9.0
113.02427	9.3
119.05033	8.1
119.34670	4.3
134.04742	5.5
135.04561	9.2
135.83746	4.3
155.60561	3.9
161.04576	39.0
173.04573	8.4
191.05640	100.0
237.05734	4.9
249.14925	5.9
293.04568	14.8
337.03580	8.6
337.09161	6.0
337.13074	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
70.45909	0.9
73.77210	0.8
80.02686	2.0
80.47395	0.8
92.47958	0.8
93.03468	100.0
94.03815	3.0
95.05042	10.6
108.02151	0.9
121.02908	0.8
123.04578	1.3
146.02731	1.0
169.06566	6.9
173.02391	1.1
173.09714	1.9
195.08243	1.1
213.05679	1.6
216.24962	0.8
221.56493	0.8
222.06798	1.3
223.07686	7.6
247.11276	1.0
249.12891	5.0
251.07150	1.2
262.69995	0.9
265.12347	8.1
275.10837	1.6
277.97638	0.9
278.09509	1.8
293.11850	36.7
294.12244	3.8
321.60977	0.9
337.10709	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	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02938	0.7
53.48417	0.7
57.03436	1.8
59.01387	18.6
69.03482	0.9
69.55878	2.7
69.56282	1.4
71.01389	12.7
72.99306	3.6
73.02944	1.4
75.00878	15.6
76.73173	0.8
83.01382	1.1
85.02956	16.4
87.00904	6.6
87.04522	100.0
88.04864	1.0
89.02442	3.5
95.01379	3.7
99.00882	9.6
101.02486	1.5
101.82376	0.8
103.00400	1.5
110.21182	0.8
113.02454	20.4
115.00395	1.7
117.01937	3.5
121.03013	1.2
122.06157	1.1
129.01944	1.3
129.56526	0.8
140.12823	0.8
142.87660	1.3
149.02449	2.7
156.89139	1.0
157.01405	0.8
175.02502	1.8
176.00537	0.8
191.05637	0.8
226.92136	3.2
231.05119	2.3
238.91963	1.0
249.06186	15.9
254.91515	1.2
261.89041	0.9
267.07010	0.9
269.93942	0.9
271.10767	1.0
274.89713	2.3
277.00577	1.5
277.09351	1.3
305.91455	3.8
319.10211	2.2
337.11426	58.2
337.14847	2.8
337.94363	4.3
338.11816	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	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20092	0.9
59.01384	100.0
60.01710	1.6
63.95771	1.0
66.43279	0.8
69.20023	5.3
71.01376	4.2
73.02936	1.3
79.35745	0.9
82.38725	1.0
84.14575	1.0
85.02969	2.4
89.02455	2.2
99.00867	1.9
101.02467	3.1
113.02448	2.4
115.00428	1.2
119.05045	1.3
131.27332	1.0
135.04507	2.3
149.06096	3.3
161.02458	2.3
161.04597	2.1
163.04062	1.9
164.07198	1.0
173.04538	1.5
190.07018	1.0
191.05566	1.8
233.04588	1.4
234.87111	1.1
237.04117	1.6
337.15027	1.6
337.18829	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	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90471	0.8
53.70757	0.7
58.76458	0.8
59.01386	100.0
69.19025	3.5
70.60338	0.7
71.01397	6.4
71.12935	0.7
72.94984	0.7
79.58371	0.9
87.04540	1.0
89.02450	8.0
94.87775	0.8
98.22683	1.5
100.99185	0.7
101.02456	3.3
102.54661	0.7
113.02457	2.6
119.03504	2.7
119.71507	0.8
153.05565	1.7
161.04501	0.8
163.73521	0.8
172.92406	0.8
179.05592	1.3
188.70869	0.8
194.95636	0.9
258.40381	0.8
292.36441	1.0
337.14990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.4
55.66561	0.4
57.03456	1.3
58.00597	1.0
59.01385	100.0
60.01718	1.0
60.73977	0.4
63.38976	0.4
68.96920	0.4
71.01389	43.0
71.05038	0.7
71.40878	0.4
72.01723	0.6
72.99322	1.7
73.02956	1.6
83.01410	2.5
84.95343	0.4
85.02966	8.9
86.98920	0.4
87.00895	1.4
89.02454	45.3
89.94009	0.4
90.02788	0.8
95.01385	3.8
99.00877	0.6
101.02455	27.1
102.02779	0.6
111.13251	0.4
113.02457	18.0
113.09763	0.7
119.03515	22.1
119.05032	1.5
131.03545	1.7
133.02989	1.7
134.02510	2.3
134.03540	0.5
135.04544	1.9
136.04854	0.5
143.03552	2.1
145.02992	0.5
149.04604	0.8
157.08736	0.9
161.02493	4.4
161.04599	1.8
162.02827	1.5
163.04024	1.5
164.71184	0.4
175.03941	0.5
175.09775	1.2
177.01804	0.4
179.03467	0.7
179.05653	3.0
191.05684	0.9
193.05124	0.8
197.04643	0.4
264.04343	0.6
265.05005	1.2
337.04083	2.8
337.15085	80.2
338.04144	0.5
338.15402	6.7
347.05908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0509
Annotation	Salvianolic acid G
Peak:m/z	Relative Intensity
68.15109	0.7
70.94020	1.0
91.01903	1.0
107.04728	0.8
108.02184	3.8
108.58396	1.0
109.02968	100.0
110.03302	2.8
121.02969	2.2
137.02429	1.0
145.02979	2.5
147.04555	4.1
149.02455	2.0
157.02995	3.2
158.03714	2.5
159.04520	3.6
161.02486	2.0
173.02504	4.7
174.03250	1.8
183.04527	1.1
185.02457	56.1
186.03210	22.5
187.03853	0.9
193.06619	2.1
195.04602	1.2
196.05339	1.1
197.06053	2.3
205.06548	1.0
208.05363	1.8
209.06038	5.1
211.04033	1.1
211.07649	2.4
212.04729	1.1
220.05220	1.4
221.06073	5.2
222.06790	1.3
223.04027	1.6
223.07600	1.5
224.04837	4.4
225.05565	12.5
226.05838	0.9
226.46083	0.9
236.04967	1.1
237.05753	1.5
238.06285	1.8
239.07137	6.1
248.04820	2.5
249.05600	10.3
250.06302	3.9
251.03482	2.7
251.07103	1.4
252.04344	8.2
253.05058	1.8
265.05096	3.0
266.05872	3.6
267.06650	12.3
268.07071	1.1
276.04260	3.2
277.05072	20.0
278.05740	4.3
279.03033	5.6
280.03787	16.1
281.04233	1.0
288.31085	0.8
293.04590	5.3
294.05466	2.0
295.06152	66.6
296.06564	7.1
321.04047	4.9
339.05118	76.7
340.05441	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	339.0511
Annotation	Salvianolic acid G
Peak:m/z	Relative Intensity
52.35974	0.6
56.05194	0.6
66.69436	0.6
76.67931	0.5
82.28662	0.5
87.25560	0.5
91.01920	0.6
93.03485	1.1
93.83698	0.7
93.84305	0.6
108.02203	4.5
109.02965	100.0
110.03349	3.7
110.03944	0.5
114.27637	0.6
115.05551	1.4
117.03486	1.8
119.05006	1.5
121.02961	3.1
129.03464	0.9
131.05116	0.7
134.03752	0.7
137.02457	1.4
141.03474	0.8
145.02962	7.4
147.04558	4.4
149.02440	2.8
151.84732	0.6
157.02957	6.6
158.03745	2.7
159.04514	5.1
161.02362	1.2
173.02454	3.6
174.03235	2.0
175.04071	1.2
180.05843	0.7
183.04443	0.9
185.02457	57.8
186.03229	23.6
187.03767	2.0
193.05000	1.0
193.06604	1.9
195.04530	0.8
195.08142	1.1
196.05209	1.5
197.06108	2.3
201.01849	0.8
204.05727	1.0
205.06630	0.8
208.05368	1.4
209.06087	4.8
210.06870	0.7
211.04149	1.0
211.07663	2.2
220.05322	1.8
221.06087	6.6
222.06841	2.1
223.04027	1.1
223.07622	4.1
224.04807	5.7
225.05588	10.0
226.06050	0.7
229.01424	2.9
232.05338	1.0
233.06064	1.4
235.04013	0.8
237.05550	1.9
238.06403	1.3
239.07149	7.2
248.04814	3.1
249.05608	14.4
250.06270	4.7
251.03456	4.7
251.07114	2.8
252.04291	8.1
253.04886	2.7
260.04761	1.4
265.05103	3.2
266.05890	4.7
267.06638	13.7
276.04245	3.0
277.05087	19.5
278.05701	3.1
279.03000	6.7
280.03775	14.0
281.04156	1.6
293.04535	5.0
294.05356	2.1
295.06152	58.6
296.06418	5.0
311.05875	0.6
321.04034	3.8
339.05115	60.8
339.11084	1.7
340.05469	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0513
Annotation	Salvianolic acid G
Peak:m/z	Relative Intensity
53.90527	1.0
59.01387	1.3
69.49486	0.8
71.96798	0.9
74.21156	1.1
83.56119	0.8
88.51176	0.8
91.01901	2.5
99.73048	0.8
108.02171	2.6
109.02969	100.0
110.03320	3.1
115.05524	1.2
115.62610	0.9
117.03490	1.3
117.81427	0.8
117.87137	1.0
121.03001	3.1
133.02954	3.8
133.94435	0.9
134.03746	1.4
135.00885	1.6
135.04538	2.9
135.08154	1.4
137.02458	1.4
141.03513	0.9
145.02988	3.1
147.04546	4.0
149.02463	2.6
157.02986	4.8
158.03712	3.2
159.04524	4.3
161.02480	22.3
162.02759	1.1
173.02483	3.5
174.03206	1.8
176.01166	1.4
176.34023	1.0
177.01955	2.0
179.03493	1.4
185.02460	53.0
186.03229	22.1
187.03792	1.2
193.06602	3.2
196.05257	1.2
197.06149	1.7
208.05382	1.8
209.06215	4.7
211.07603	2.4
221.05991	5.3
222.06754	1.4
223.04056	1.4
223.07663	1.9
224.04781	4.7
225.05563	11.6
237.05580	2.3
238.06360	1.9
239.07082	7.0
248.04747	2.8
249.05582	12.1
250.06377	3.9
251.03569	4.3
251.07172	1.7
252.04300	9.1
253.04987	2.1
265.05154	3.6
266.05878	5.2
267.06650	12.8
268.07126	1.0
276.04263	3.5
277.05124	18.5
278.05536	3.2
279.03073	6.9
280.03802	17.3
287.92761	1.0
293.04453	4.4
294.05304	2.0
295.06146	60.0
296.06387	6.5
309.07870	1.9
313.32422	0.9
321.04123	5.0
339.05124	78.0
340.05264	7.5
347.72235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0511
Annotation	5-Methoxy-6,7:3',4'-bis(methylenedioxy)isoflavone
Peak:m/z	Relative Intensity
52.27585	0.7
59.01395	2.2
60.22281	0.6
65.04004	0.7
72.43089	0.7
91.01912	7.5
92.02248	0.7
93.03471	8.4
94.47402	0.6
95.05067	1.1
105.03457	1.6
108.02151	0.8
109.02955	7.0
117.03497	3.7
119.05030	3.4
121.02972	49.5
122.03303	1.5
124.26183	0.7
133.02977	17.5
134.03781	7.7
135.00893	14.7
135.04556	8.9
135.08185	2.3
137.02478	2.5
139.04047	1.7
143.05093	0.8
145.02975	2.7
147.18016	0.7
148.01660	2.4
149.02519	1.3
153.01950	11.1
160.01697	2.1
161.02461	100.0
162.02846	5.1
163.04030	2.9
167.08704	0.9
169.06660	1.1
173.02591	0.8
175.00394	1.3
176.01147	1.9
177.01923	7.3
178.02728	6.1
179.03526	5.9
183.08224	1.1
185.02483	1.4
189.02016	1.9
193.06566	1.9
195.08173	1.6
211.07681	2.1
221.06129	4.1
222.06984	0.9
223.07675	2.5
237.05624	1.2
238.06425	0.8
239.07170	14.6
249.05675	1.0
251.07184	3.4
265.05048	3.2
267.06607	4.9
277.05240	0.9
279.05194	2.7
283.06125	6.1
295.06052	3.7
311.05615	20.8
312.05890	2.0
339.05035	52.3
340.05197	5.6
340.08527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94236	0.4
51.28508	0.4
63.61958	0.4
65.00316	0.6
66.91655	0.4
81.03485	1.0
91.01912	1.1
93.03474	0.6
96.29714	0.4
98.22692	1.0
108.02181	3.1
109.02966	100.0
110.03297	3.4
115.05544	0.9
121.02961	2.5
129.03458	0.7
130.04251	0.5
135.04555	0.8
137.02469	1.7
141.03502	0.9
145.02963	3.3
147.04552	3.8
149.02475	2.4
157.02972	4.1
158.03745	3.2
159.04536	4.5
161.02458	1.4
167.08809	0.5
172.30054	0.4
173.02428	4.1
174.03227	1.8
175.03998	1.4
180.05704	0.6
183.04561	1.2
185.02461	53.2
186.03229	20.3
187.03804	1.6
193.06561	2.0
195.04526	0.7
195.08209	0.8
196.05367	0.6
197.06075	1.5
199.04335	0.6
201.01906	1.1
204.05807	0.7
205.06628	0.6
208.05322	1.5
209.06129	3.8
210.06798	0.5
211.07753	1.8
220.05316	1.3
221.06114	5.7
222.06851	1.0
223.04065	1.3
223.07655	1.5
224.04802	5.5
225.05582	10.8
226.06310	0.5
227.03549	0.7
229.01428	2.5
232.05325	0.8
233.05965	1.0
237.05643	1.8
238.06398	1.2
239.07133	6.3
247.04359	0.6
248.04832	3.3
249.05592	14.3
250.06306	5.4
251.03540	5.3
251.07121	2.3
252.04295	11.3
253.05038	2.5
260.04718	1.3
265.05084	2.8
266.05801	4.4
267.06659	13.2
267.09390	0.9
268.07025	0.7
276.04263	2.8
277.05066	20.9
278.05612	3.1
279.03024	10.6
280.03796	20.6
280.06952	0.9
281.04163	2.1
283.05423	0.4
293.04654	5.0
294.05203	1.5
295.06143	63.6
296.06473	5.3
309.07663	1.3
312.58780	0.4
321.04044	6.1
322.04514	0.7
324.09970	1.5
333.92465	0.4
339.05112	75.8
340.05460	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54693	0.9
59.01389	7.0
69.03464	65.6
69.36205	4.7
70.03787	1.2
71.01399	1.3
79.01904	27.7
81.03465	2.0
82.60985	0.9
85.02952	2.9
87.00943	0.9
95.01395	3.1
97.02962	40.3
98.22565	2.0
98.99854	0.9
107.01403	33.7
108.02202	15.9
109.02966	38.0
110.03328	1.3
113.02416	1.7
116.67032	1.0
121.02956	6.2
123.00909	5.1
123.04528	1.8
125.02460	34.2
133.02957	3.3
134.03748	1.2
135.00858	3.1
135.04527	2.5
136.01668	1.6
137.02475	5.0
149.02458	10.8
151.00394	14.8
151.03983	1.3
153.01962	100.0
154.02271	2.8
161.02463	6.1
163.04013	2.9
167.03490	2.1
175.04022	1.6
177.01962	5.8
185.02368	1.2
191.03540	1.8
193.05116	1.3
219.02786	1.3
279.05124	16.8
280.05533	1.3
290.65131	1.0
295.06116	1.7
297.06216	34.8
298.06552	2.2
309.07443	1.1
339.07428	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	339.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
65.00337	1.0
65.03960	1.4
67.01878	0.9
68.99819	0.4
69.73736	0.4
69.74055	0.7
71.01388	0.4
78.05768	0.4
78.20647	0.3
80.02673	0.4
85.02945	0.4
88.02409	0.3
88.97064	0.3
91.01904	50.8
92.02234	1.6
93.03425	0.5
95.05031	0.4
104.31464	0.3
108.02202	2.0
109.02966	37.4
110.03303	0.8
111.53877	0.3
117.03457	0.3
121.02955	2.4
123.04537	1.4
124.36331	0.3
125.79285	0.3
131.05058	0.4
133.03001	1.6
135.00899	100.0
136.01160	3.1
137.02460	3.3
145.02953	1.2
147.03459	0.3
147.04539	1.3
148.01730	0.6
149.02458	2.1
151.04092	0.4
153.01956	62.9
154.02289	2.2
157.02948	1.0
158.03777	0.5
159.04581	1.1
161.02452	3.4
170.38853	0.3
173.02429	1.2
173.59087	0.3
174.03120	0.5
175.03937	0.5
177.01967	1.0
185.02454	14.5
186.03223	5.9
189.01915	1.9
196.05341	0.4
207.08151	1.3
208.05266	0.3
209.06161	1.5
211.07632	0.6
220.05295	0.5
221.06158	1.7
222.06882	0.4
223.04044	0.4
224.04811	1.2
225.05568	2.5
231.78459	0.4
232.05431	0.4
237.05598	0.6
238.06374	0.4
239.07172	1.3
248.04849	0.6
249.05580	3.4
250.06340	1.2
251.03528	1.3
251.07198	0.5
252.04347	3.0
265.04977	0.6
266.05844	1.8
267.06638	2.7
276.04309	0.9
277.05072	5.4
278.05475	0.9
279.02777	2.3
279.05634	0.5
280.03726	4.3
281.04089	0.6
293.04575	0.9
294.05237	0.6
295.06155	17.9
296.06448	1.3
297.06244	1.0
321.04144	1.7
324.10144	0.3
329.05521	0.3
339.04852	10.8
339.07285	16.2
339.14157	0.8
340.04965	1.0
340.07736	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	339.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18808	0.5
74.70444	0.4
79.39362	0.5
89.08734	0.6
90.43894	0.6
93.56083	0.5
98.22603	1.6
108.02271	0.7
109.02966	16.3
111.18168	0.5
114.09573	0.5
117.03485	1.2
119.05084	0.6
135.04651	1.5
145.02989	5.6
145.03972	0.6
146.03873	1.3
147.04643	1.3
149.02583	0.6
157.03050	1.3
161.02660	0.6
163.04108	2.2
164.04820	0.6
173.02455	0.8
175.19160	0.5
179.07190	1.2
179.08754	0.7
185.02469	8.9
186.03215	2.8
191.08806	1.8
193.06662	1.7
195.08150	1.4
197.06200	0.5
204.05768	0.6
207.08154	3.8
208.05479	0.6
208.08702	0.5
209.06190	1.8
211.07652	0.8
216.73233	0.5
217.06621	2.4
218.07336	1.0
219.08133	2.9
220.05334	2.1
221.06114	3.7
222.06874	1.0
223.07709	2.2
223.29260	0.5
224.04860	2.0
224.08398	1.0
225.05664	2.7
225.09267	1.8
233.06134	2.4
234.06845	2.7
235.07645	8.0
236.08257	1.2
237.05646	1.0
237.09300	2.4
238.06406	0.7
239.07173	3.3
245.06187	3.1
246.06920	2.4
247.07681	2.6
248.04845	1.5
249.05630	2.3
250.06250	1.1
251.07130	2.8
252.04393	1.9
252.07974	1.4
253.05070	1.3
253.08687	5.6
261.05594	1.0
262.06418	2.3
263.07169	23.9
264.07602	3.3
265.04999	1.1
265.08713	1.8
266.05905	1.4
267.06717	1.9
267.10162	1.0
268.11105	2.3
273.05652	1.4
274.06335	1.4
275.07117	2.4
276.04428	1.0
276.07910	1.5
277.05112	3.4
277.08392	0.9
279.02982	0.7
279.06729	1.2
280.03830	2.1
280.07416	2.7
281.08209	31.9
282.08591	3.7
290.05927	0.9
291.06625	8.2
292.07507	3.4
293.04889	1.2
293.08243	10.1
294.05756	1.0
294.08908	4.1
295.06223	9.6
295.09711	1.6
296.07080	0.9
296.10480	4.1
306.08981	1.0
307.09854	4.2
308.06967	1.3
308.10413	7.9
309.07721	100.0
310.08078	8.5
323.09238	9.5
324.10037	87.0
325.10388	9.5
339.05524	12.4
339.12357	64.6
340.05515	1.3
340.12704	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	88.8
59.54608	1.5
69.56142	6.8
71.01394	4.7
73.02949	7.5
83.01357	2.3
85.02966	1.8
89.02452	3.6
93.46637	1.9
101.02468	6.3
113.02450	13.6
117.05590	100.0
118.05948	2.2
119.03483	4.2
159.06635	2.7
161.04485	2.7
189.07686	2.0
222.35460	2.1
317.79034	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	339.233
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
59.05027	0.2
61.31077	0.2
69.69633	0.5
92.36156	0.2
98.22739	0.3
107.05051	0.3
136.92018	0.2
144.00655	0.2
147.08157	0.7
163.11304	100.0
164.11639	3.5
202.89090	0.2
216.80226	0.2
243.88158	0.2
259.83496	0.2
339.23309	27.3
340.23694	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	340.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36150	0.7
54.39570	0.8
54.49035	0.8
59.01378	1.5
60.43964	0.7
61.37094	0.8
61.98828	1.5
68.62991	0.7
71.01392	0.8
71.10548	0.8
71.10903	0.7
89.02429	1.3
96.96643	0.7
106.36005	0.7
149.06091	4.8
149.09731	14.7
150.10109	1.2
163.11308	27.7
164.08458	19.9
164.11623	2.1
165.08736	1.3
177.09230	100.0
178.09584	4.8
214.18283	0.8
224.01936	0.7
245.27303	0.9
340.20459	97.3
341.20822	11.9
343.33679	0.9
349.42740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
58.76389	0.3
59.01385	17.2
65.96683	0.4
71.01390	8.7
71.43753	0.4
73.02936	0.6
73.31529	0.4
74.71466	0.4
75.00864	0.5
78.59911	0.4
85.02956	2.2
87.00882	0.5
89.02457	8.3
96.32858	0.4
101.02466	3.8
109.02988	0.5
113.02457	2.5
119.03529	2.9
119.05052	1.4
129.01924	0.4
129.24274	0.4
132.02171	1.3
133.02977	27.0
134.03403	0.9
135.04553	7.6
147.42041	0.4
149.06123	0.8
150.75217	0.4
152.10912	0.4
161.02472	100.0
162.02792	5.0
163.04027	2.5
177.05641	1.1
179.03529	18.0
179.05617	2.4
180.03909	0.7
185.51302	0.4
195.05202	1.1
203.03511	2.6
221.04622	1.5
251.05759	0.5
281.06766	1.5
335.54880	0.5
341.08447	8.4
342.09186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45256	0.3
59.01384	8.5
67.89252	0.3
69.50262	1.2
71.01381	3.9
76.02995	0.3
77.09628	0.3
78.97106	0.3
81.28104	0.3
85.02983	1.0
89.02458	3.3
90.08900	0.3
99.00879	0.4
100.23790	0.3
101.02442	1.6
105.03487	0.6
106.33192	0.3
110.47421	0.3
113.02449	1.1
119.03524	1.1
119.05090	0.9
122.26368	0.3
132.02174	1.2
133.02963	25.7
134.03371	1.0
135.04533	8.1
149.06068	0.7
161.02455	100.0
162.02785	5.0
163.03995	1.8
165.61740	0.3
175.04028	0.5
177.04152	0.4
177.05605	1.2
179.03505	16.4
180.03885	0.6
180.14449	0.3
195.05081	0.9
203.03497	1.8
221.04524	1.5
229.77390	0.3
251.05621	0.7
281.06686	1.6
313.59351	0.4
341.08704	10.1
342.08939	0.4
357.97092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.1
68.51521	0.4
68.93136	0.3
70.65813	0.5
71.01388	6.5
72.28043	0.4
75.00888	1.6
83.01404	0.4
85.02956	1.6
87.00897	0.4
89.02457	5.4
95.01397	0.5
99.00876	0.8
101.02470	2.6
109.02952	0.4
113.02445	2.2
119.03563	2.1
119.05038	3.6
129.01941	1.3
132.02194	1.0
133.02977	24.0
134.03342	0.7
135.04549	9.4
136.04881	0.4
143.03528	0.6
149.06065	0.6
161.02463	100.0
162.02800	5.0
162.75902	0.4
163.04025	5.6
177.04044	1.2
177.05621	0.9
179.03517	16.5
179.05531	1.5
180.03899	0.8
195.05127	4.4
203.03470	2.9
221.04648	1.3
251.05624	0.8
281.06747	2.0
308.19614	0.4
341.08563	9.8
342.09180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0882
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
55.01881	2.2
57.03453	6.1
59.01387	100.0
65.52448	0.9
66.12408	0.9
71.01392	58.2
72.80904	1.0
72.99292	3.6
73.02956	8.5
75.00880	28.2
80.20464	1.0
83.01377	4.4
85.02473	1.7
85.02959	23.3
85.62735	1.0
87.00891	11.9
89.02457	50.4
95.01385	3.6
97.02966	1.8
98.22678	2.6
99.00887	9.8
101.02457	31.7
111.00874	2.4
113.02468	17.9
117.03487	1.8
119.03544	22.1
119.05034	33.9
120.05368	1.2
121.02932	1.3
129.01965	15.5
131.03459	1.7
133.02972	6.6
133.06583	1.6
134.03767	10.2
135.04546	53.1
136.04814	2.1
137.01591	1.0
137.02472	10.9
141.02020	1.1
143.03458	2.3
145.02988	7.9
149.04457	1.2
149.06065	4.3
159.02992	5.8
161.01115	1.1
161.02467	23.5
161.03857	1.2
161.04541	3.6
161.06001	2.8
163.04030	41.2
164.04323	2.3
177.04088	57.5
177.05553	6.8
178.04352	2.6
179.03520	54.2
179.05544	5.2
179.07109	1.4
180.03825	2.5
193.05064	8.4
195.05121	73.9
196.05307	1.9
203.03458	1.6
205.05086	2.1
221.04617	7.6
251.05638	7.0
264.22772	1.0
281.04398	0.9
281.06757	10.8
281.09787	1.3
318.02161	1.1
323.07590	2.4
341.08646	34.6
341.15747	2.1
342.08932	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	341.1031
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
54.21453	1.1
58.26718	1.0
59.01384	3.4
71.01386	2.4
86.90252	0.9
89.02473	2.8
95.01446	1.2
127.17532	0.9
133.03056	1.1
134.03841	1.1
135.04555	9.9
161.02495	1.5
176.19298	1.2
179.03568	6.7
179.05669	1.3
200.08372	1.2
223.07646	1.9
237.09293	1.7
238.09908	1.2
239.07191	8.6
240.07927	1.5
251.07175	3.2
253.08733	10.5
254.09496	2.7
261.09134	1.2
265.05420	1.2
265.08673	2.0
266.05899	3.6
266.08856	1.1
267.06604	2.9
279.10349	3.5
281.08292	5.1
281.15536	2.3
293.11920	2.7
294.12567	4.7
297.07718	3.3
298.08466	4.1
298.40692	1.1
307.06219	1.9
309.07715	12.1
309.14960	28.9
310.07828	1.3
310.15353	2.5
311.16550	1.7
313.10855	28.2
313.14432	2.3
314.11194	3.5
341.10361	100.0
341.17163	23.1
341.60422	1.9
342.10724	11.0
342.17929	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1032
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
51.24379	0.8
59.01381	3.7
61.98865	0.8
70.48187	0.8
71.01362	1.9
73.00625	1.0
89.02453	1.1
94.12216	0.8
95.41969	0.9
101.02426	1.0
113.02508	0.8
133.03035	1.0
134.03745	2.3
135.04547	9.5
136.04877	1.1
137.09840	1.0
165.07242	1.0
179.03511	6.5
179.05769	1.2
197.06161	1.7
207.08205	1.1
209.06049	0.9
211.07600	2.0
211.76038	0.8
221.06058	1.1
223.07660	0.9
235.07712	3.4
236.08324	1.0
237.05608	2.9
237.09271	4.3
238.06387	8.8
239.07114	2.5
251.07095	1.1
253.08728	11.6
254.05904	2.1
254.09206	1.0
263.07388	1.2
264.07913	2.6
265.05936	1.3
265.08618	6.0
266.09073	1.1
280.07443	38.0
281.08221	100.0
282.08810	16.4
283.13364	2.0
295.13138	1.0
309.07449	1.2
318.10132	1.4
341.10358	50.5
341.13889	2.8
342.10654	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03440	0.3
57.26316	0.2
59.01379	1.2
63.60571	0.2
69.24487	0.7
69.24915	0.5
71.01388	0.7
71.05029	1.4
76.96431	0.2
81.03468	1.2
81.50786	0.2
83.05022	0.8
89.02448	0.7
92.58429	0.2
95.05043	0.5
99.04539	1.3
101.02464	0.4
109.02952	0.6
109.06606	0.3
111.04500	0.4
119.03598	0.2
151.07635	0.8
170.07384	1.0
171.10310	1.5
176.94463	0.2
179.03430	0.2
179.05663	0.4
185.11754	0.3
193.12222	0.4
207.08180	0.3
209.09721	1.3
210.10423	0.6
211.13330	0.3
222.06833	0.6
223.07767	1.6
223.11308	1.3
224.08130	0.3
225.12804	0.3
235.13484	1.6
237.09230	10.5
238.09993	14.1
239.10445	1.7
253.12344	100.0
253.14284	4.0
254.12682	9.6
267.10361	0.4
270.08987	4.2
271.09198	0.5
287.16458	1.0
297.11337	10.2
298.11603	1.0
305.17587	0.8
311.09253	0.5
323.18524	0.3
341.10452	1.1
341.20108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05857	1.8
53.72646	1.7
55.01873	7.8
55.02123	1.8
59.01376	5.5
65.00330	4.2
70.90832	2.0
71.01391	4.2
85.02941	2.1
89.02460	3.9
95.81519	1.7
124.51676	1.8
124.83916	1.7
138.95528	1.5
161.02501	2.7
161.69252	1.6
167.82658	1.7
170.07404	2.8
179.05693	2.2
181.06580	2.9
193.10246	7.6
194.07602	2.1
195.08086	2.8
207.08263	3.5
209.06143	3.7
209.09772	12.7
210.10442	3.0
211.07669	11.7
220.08949	2.5
221.09721	78.9
222.06873	7.5
222.10109	6.1
223.07639	6.3
225.09218	8.6
227.07091	2.9
235.07684	6.0
236.08481	4.9
237.09236	41.8
238.09993	27.8
239.10722	9.8
247.07678	35.8
248.08133	3.4
250.06313	2.9
251.10789	6.4
253.12381	31.3
263.07010	8.4
264.07907	20.2
265.08698	44.6
266.08957	2.8
267.10321	31.7
268.10565	2.9
270.08884	16.2
271.13324	3.8
279.10291	25.9
281.08133	2.7
282.09085	4.4
283.09683	3.8
297.11356	100.0
298.11685	12.9
301.29663	1.8
303.24979	1.7
319.34756	1.8
331.16321	2.1
333.02280	2.0
341.06546	3.5
341.10309	21.3
342.10645	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	341.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.8
71.01397	2.5
81.96133	1.5
84.02178	6.3
92.50902	1.3
97.02960	2.9
97.89210	1.2
99.04568	1.9
119.03519	3.0
130.49023	1.3
131.04253	1.5
133.02917	1.4
171.10307	14.3
172.05312	9.4
181.06618	7.3
181.10260	3.2
182.07350	4.7
183.08171	2.9
184.08994	2.4
194.07378	1.5
195.08128	2.1
209.06117	31.1
209.09705	28.9
210.06619	2.5
210.10168	2.1
221.06026	1.4
221.09659	2.4
223.07658	2.4
225.05592	5.7
225.09273	2.4
227.07086	8.3
235.07649	4.3
236.08351	2.7
237.09227	13.9
238.09975	8.7
239.10506	2.0
247.07671	4.1
253.05060	2.3
253.12259	6.7
264.07919	2.7
265.08713	100.0
266.09082	7.9
267.06778	4.3
269.08167	1.7
281.08212	2.1
282.08966	5.1
283.09811	6.6
283.13373	2.7
291.19641	1.7
297.11331	8.6
309.11328	1.9
341.06534	1.8
341.10437	6.4
341.14124	2.0
341.23340	27.2
342.14731	10.9
342.23676	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	341.1092
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01860	1.0
57.03451	2.0
58.00577	1.0
59.01386	100.0
60.01706	1.1
70.76817	1.0
71.01389	58.8
72.99315	1.1
73.02957	1.6
83.01396	2.5
85.02960	9.4
87.00881	5.0
89.02454	69.7
90.02809	2.0
95.01391	2.3
98.21926	1.0
99.00868	1.0
101.02454	28.7
113.02460	22.4
119.03519	27.2
120.03790	1.0
125.02470	2.0
131.03516	3.9
133.02969	1.8
135.04489	1.3
143.03488	5.8
149.04596	2.0
161.02492	5.5
161.04584	12.2
168.53987	0.7
179.03622	1.6
179.05623	30.1
179.07179	1.7
180.06035	0.7
215.71590	0.7
341.10925	29.9
342.11417	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	341.1092
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01883	1.2
55.49105	0.7
57.03443	1.4
57.68088	0.7
59.01385	100.0
60.01732	0.8
61.43247	0.6
70.47387	1.0
70.47714	1.0
71.01389	56.4
72.01785	0.9
72.99326	1.2
73.02962	2.0
75.59777	0.7
83.01392	2.2
85.02964	7.2
87.00900	2.7
89.02454	63.7
95.01420	2.5
99.00880	1.2
101.02454	26.1
101.03111	1.4
113.02457	19.7
114.02774	0.8
119.03518	23.4
119.04339	1.6
120.03760	0.9
125.02490	1.6
131.03513	3.8
135.04527	0.8
143.03522	6.6
146.99718	1.0
149.04601	2.9
161.02449	2.4
161.04576	8.4
166.66634	0.8
169.42525	0.7
179.03717	1.5
179.05632	26.9
179.07199	1.6
197.58420	0.8
203.11272	0.7
341.10925	29.0
342.11288	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	341.1395
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.48856	0.4
85.02383	0.4
89.52481	0.5
91.05495	0.7
98.21894	1.5
116.90633	0.5
135.04515	0.5
143.73344	0.5
145.02945	3.2
171.08308	0.6
177.24347	0.5
194.07314	1.2
196.05298	1.1
222.06795	1.2
224.04857	6.0
224.08354	0.9
225.09184	1.3
227.10733	1.9
228.85895	0.5
235.07564	0.5
237.05574	1.5
237.09151	0.5
238.06374	9.9
239.06868	0.6
239.10782	3.0
241.08725	3.6
250.06279	0.7
251.07068	1.7
252.04279	1.8
252.07852	1.1
253.08675	1.8
254.09578	2.3
255.10266	11.8
256.10571	0.9
265.05145	1.0
265.08643	1.8
266.05875	6.4
266.08875	1.0
267.06308	0.9
267.10196	2.7
269.11884	4.3
270.12503	3.4
281.08282	0.7
282.08945	2.1
283.09766	55.2
284.10156	4.0
293.08163	1.0
294.09009	2.1
295.09747	5.6
296.10468	3.4
297.11182	3.0
298.12131	4.8
309.08051	0.5
309.11380	2.0
310.08356	1.6
310.12103	2.6
311.09265	100.0
312.09607	11.4
312.13208	0.7
325.10825	6.0
326.11609	76.3
327.08392	0.8
327.11951	8.5
341.13940	72.6
342.14288	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	341.1397
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
59.01377	2.3
59.90061	0.7
66.59011	0.6
69.98598	1.2
69.98932	1.5
71.01406	1.0
83.56399	0.7
89.02456	1.9
176.03877	0.7
179.05606	0.9
184.01065	0.8
199.07687	1.1
211.11368	0.7
219.38329	0.7
225.12866	2.2
227.10675	1.0
237.09251	9.5
237.12900	2.0
238.09988	5.9
240.11617	2.0
243.13904	2.5
251.07211	0.8
253.12367	34.7
254.12866	5.1
255.13786	3.5
265.08734	9.9
265.12326	2.7
266.09488	5.9
267.10239	2.1
267.13806	1.0
268.11057	2.9
269.11642	0.9
279.06604	1.2
281.11862	60.0
282.12567	24.8
283.10037	1.3
283.13354	14.6
284.13818	1.1
293.08255	3.8
293.11609	1.1
294.08939	3.7
295.09610	1.1
297.14935	1.6
298.12100	7.9
298.15204	1.2
309.11374	38.1
310.11847	5.3
311.12909	2.2
312.13727	5.2
313.14380	4.8
327.16003	1.9
341.13971	100.0
342.14340	11.4
342.18185	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1396
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
50.54130	0.8
56.16758	0.8
59.01384	2.1
69.66356	3.1
71.01404	0.8
89.02474	1.5
96.95944	1.0
139.74294	0.9
237.09172	11.2
238.09433	1.1
249.09265	7.3
250.06421	1.7
250.09679	1.0
251.07080	1.7
251.10765	1.0
265.08710	23.2
266.09467	20.4
267.09903	1.9
276.07950	3.5
277.08737	25.3
278.05887	2.7
278.09311	4.6
279.06631	5.2
279.10013	1.2
280.07031	1.1
293.08200	18.0
294.09076	12.3
295.09573	2.4
297.64481	1.0
308.10706	1.2
309.11481	7.7
309.14847	1.7
310.11847	1.4
340.13138	14.9
341.13947	100.0
342.14255	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	341.1397
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
56.43330	1.0
59.01379	3.4
65.61667	1.0
70.97974	1.8
83.05016	1.1
89.02457	1.9
94.36363	1.0
96.78250	1.0
123.29095	1.2
145.68959	1.0
177.32152	1.0
195.39832	1.1
213.58942	1.2
237.09338	3.0
240.78111	1.3
249.09206	5.1
253.12352	9.0
265.08731	5.6
265.12250	1.3
266.09473	31.4
267.09927	4.2
273.08887	1.1
277.08713	16.2
278.09232	2.5
279.06638	7.3
279.09882	1.8
280.07172	1.3
281.09000	1.0
281.11774	5.4
293.08188	7.0
294.08939	18.4
295.09515	2.6
309.11337	50.8
310.11734	5.9
313.14642	2.0
340.13019	1.3
341.13953	100.0
342.14337	9.7
349.85300	1.3
355.53293	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	341.1399
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
50.89474	0.6
51.86601	0.6
59.01392	4.4
61.36462	0.5
61.98846	1.6
63.24363	0.5
63.44439	0.5
66.07574	0.5
71.01404	1.3
89.02449	1.4
95.60615	0.6
163.11322	1.1
165.09250	2.2
239.10794	5.1
240.11331	1.1
253.12350	7.2
254.13080	2.9
265.12418	1.0
266.09546	2.6
267.10406	3.6
280.11151	1.3
281.11890	2.9
281.15005	3.1
282.12784	1.7
283.09839	5.9
297.11374	1.9
298.12247	3.2
309.11304	1.1
313.14502	38.3
314.14774	3.1
326.11700	2.8
341.13980	100.0
341.20950	2.8
342.14343	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	341.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03455	3.7
58.00599	1.4
59.01384	100.0
61.83204	0.6
69.88750	2.4
71.01386	53.9
72.99319	3.2
73.02947	6.0
75.00874	13.3
83.01392	5.0
85.02961	18.6
87.00887	5.8
89.02452	49.0
93.03440	1.0
95.01392	4.2
97.02997	0.7
97.27575	0.6
99.00883	3.5
101.02452	33.2
102.02797	1.4
109.02946	0.8
113.02461	18.2
117.03477	4.3
119.03525	19.1
119.05025	15.5
119.86054	0.7
123.90747	0.7
129.01976	5.5
131.03516	2.4
133.02965	6.8
133.06699	0.7
134.03755	31.9
135.04546	44.5
136.04872	1.7
136.58852	0.8
137.02461	5.1
141.01973	1.1
143.03535	2.2
145.02963	5.1
149.04613	1.6
149.06123	4.4
153.54688	0.8
153.89360	0.7
159.03053	2.4
161.02461	14.4
161.04601	3.2
161.06126	1.4
163.04010	14.5
165.04071	1.0
177.04074	20.1
177.05566	2.5
178.02795	1.4
178.04372	0.8
179.03513	43.4
179.05569	2.6
180.03915	3.1
189.02049	1.9
189.68893	0.7
193.05077	25.9
194.05466	1.8
195.05110	23.5
205.05066	0.8
221.04546	3.9
237.05627	0.9
251.05634	4.3
266.05927	3.6
269.19916	0.8
281.06876	4.5
341.08667	12.0
341.16211	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.9
59.01381	13.0
69.03469	4.5
71.01392	4.8
71.05025	32.3
71.40981	1.8
78.54868	1.5
79.16613	1.4
80.02683	1.7
81.03464	32.1
83.05029	23.8
83.05494	2.0
85.02975	3.0
87.04522	2.4
88.38851	1.5
89.02444	4.5
93.03470	2.2
95.01367	1.9
95.05032	15.9
97.02979	7.0
97.06586	3.9
98.03806	1.4
99.04532	39.2
99.05184	2.1
100.04862	1.5
101.02466	2.4
101.06087	3.2
105.59539	1.5
106.04243	2.3
107.05029	3.1
108.02221	2.4
109.02987	5.3
109.06618	8.7
110.03758	4.0
111.04529	8.4
113.02410	1.9
119.03481	1.6
119.05077	2.4
121.06625	2.4
123.04595	1.8
123.08186	3.0
125.09748	2.6
127.07617	1.6
133.02985	3.3
133.06604	2.6
135.04550	12.0
135.08159	2.3
136.02165	1.5
147.04544	2.3
151.07658	11.9
153.09230	3.7
155.10849	2.5
161.02475	11.9
162.02913	1.7
163.11316	2.1
165.09326	2.4
165.12872	2.1
171.10301	35.0
172.10643	2.0
175.11287	1.6
176.01091	1.7
179.03555	8.5
179.05568	2.2
185.11810	1.5
187.19897	1.4
189.12871	4.0
191.14435	7.1
193.12344	19.6
199.13396	4.7
207.13951	2.1
209.11862	4.1
211.13455	4.7
221.04364	1.6
235.13423	44.1
236.13744	2.9
239.12840	3.7
243.17560	5.1
247.13416	1.8
249.15083	2.5
253.14491	100.0
254.14819	9.2
287.16583	22.0
305.17682	14.2
306.18103	1.6
323.18832	8.0
341.06564	2.1
341.19772	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	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.2
57.03460	7.2
59.01379	23.1
60.28540	4.5
61.38493	4.1
69.03465	9.1
71.01376	13.7
71.05031	49.6
73.02979	4.5
78.96770	4.3
81.03463	46.6
83.05029	35.2
89.02456	11.5
95.05066	22.2
97.02953	7.8
97.06580	8.5
98.21857	9.2
99.04533	47.7
101.02477	4.3
101.40222	4.3
109.02950	4.5
109.06609	9.8
111.04546	12.4
118.69913	4.2
119.03516	5.0
121.06577	5.1
127.11412	3.7
133.02977	8.9
133.06599	6.7
135.04544	28.6
149.02522	4.8
151.07687	18.3
161.02467	28.6
164.69534	3.9
171.10272	48.1
178.96274	4.5
179.03513	24.9
179.05725	7.7
185.11963	4.9
191.14467	11.1
193.12321	27.4
207.14003	4.8
211.13440	8.0
235.13390	55.8
236.13841	5.3
237.09216	13.6
238.09958	14.0
243.17625	8.7
253.12305	100.0
253.14532	89.2
254.12654	10.4
254.14955	10.4
270.09113	6.3
287.16534	40.3
297.11325	10.7
297.44980	4.2
305.17603	19.4
323.18668	6.5
341.10733	6.2
341.19843	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	341.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	14.6
68.78240	3.0
70.90968	3.9
71.01397	7.8
72.74992	2.5
73.16543	2.4
84.02170	11.0
89.02428	7.7
97.02987	5.4
97.06589	7.9
99.04525	4.4
101.02434	3.5
111.48422	2.7
119.03454	3.0
124.71709	2.5
171.10291	33.3
193.12372	11.6
209.06035	3.6
209.09814	3.5
211.13319	3.4
225.14952	17.2
243.15997	6.1
253.12448	5.2
265.08737	15.4
297.11292	4.4
313.10864	3.6
341.10434	9.8
341.14304	4.2
341.23352	100.0
342.14761	8.2
342.23657	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	341.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52704	0.7
54.88286	0.8
57.23400	0.7
57.56836	0.7
59.01382	2.1
69.03471	1.4
69.80275	1.8
69.80646	1.3
71.01411	1.5
75.80815	0.7
84.02176	25.8
89.02462	1.5
97.02955	7.9
97.06593	1.9
99.04516	5.1
110.13397	0.7
119.03587	0.8
119.08679	3.0
125.09720	1.0
127.11375	1.6
135.08192	1.4
137.09702	1.8
161.02469	1.3
164.33728	0.7
171.10291	67.5
172.10631	3.0
179.05606	0.8
184.01028	0.8
193.12329	2.7
225.14954	4.4
228.65869	0.8
243.16071	1.9
253.14481	1.2
273.18695	0.8
291.19708	1.7
297.11478	1.4
330.66357	0.8
341.23352	100.0
342.23694	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	342.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31575	20.7
59.01385	39.8
59.66267	20.3
61.98830	28.2
69.06596	35.5
69.06994	100.0
79.64800	18.4
88.70164	19.1
89.16614	18.1
92.92867	24.8
119.94737	27.6
189.41682	21.4
240.90712	20.9
290.17151	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	343.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75246	0.1
53.24806	0.1
59.01385	98.5
60.01715	1.1
61.98833	0.2
70.81494	0.1
74.79948	0.1
82.95430	0.3
89.99229	0.1
99.43349	0.1
113.04626	0.4
115.02525	0.4
156.90889	0.3
157.03581	6.7
158.03740	0.6
158.90636	0.4
159.01515	4.0
160.01695	0.2
181.65810	0.1
185.01230	0.3
198.91985	0.2
199.98900	0.3
200.91882	0.4
201.02571	100.0
202.02737	8.1
315.72708	0.2
343.03751	1.8
344.03888	0.4
364.88870	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	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	93.2
60.01714	1.7
69.32487	2.6
71.01402	1.5
83.54405	0.5
89.02448	1.5
101.02480	1.0
119.03564	0.9
126.30610	0.5
130.08751	13.2
157.03586	8.4
158.03777	0.6
159.01555	2.2
161.02440	0.8
163.02898	0.6
180.06744	0.5
183.01465	0.6
185.01207	1.5
199.98795	1.9
201.02565	100.0
202.02713	8.7
264.74347	0.5
301.16226	0.6
343.03583	1.6
343.11331	1.0
343.17255	8.5
344.17273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54389	1.5
57.80602	1.7
71.41351	2.3
72.02832	1.7
72.99325	3.9
74.24326	1.6
75.76704	1.7
83.72532	2.0
89.03961	2.6
96.96009	6.7
109.02962	11.9
117.54757	1.9
121.02958	2.1
123.04522	2.1
124.01701	2.1
133.02977	22.4
135.04530	10.7
137.02451	4.0
145.02950	6.5
148.01639	2.5
149.02406	2.2
159.04529	4.0
161.02461	27.0
162.03128	4.2
163.03995	3.0
179.03526	7.7
181.05161	2.4
181.06621	5.1
183.04466	2.4
185.06013	2.9
189.01971	56.0
190.02425	3.2
193.06627	2.3
195.04477	2.2
196.05208	3.9
197.06184	2.3
198.06628	2.0
198.42513	1.9
199.07613	4.5
209.06123	22.2
210.06645	3.2
211.03996	6.2
211.07654	6.3
212.04753	7.6
219.85704	2.0
221.04549	37.3
221.06497	3.1
221.09677	4.8
222.04942	2.6
222.10541	3.7
223.04031	5.4
224.04738	2.0
225.05547	4.4
225.12683	1.8
227.07207	9.3
227.10802	9.1
237.05600	53.7
238.06284	14.6
239.03520	5.4
239.06828	2.2
240.02054	3.2
240.04309	42.1
241.04939	4.0
249.05582	4.1
253.05132	4.2
254.05872	13.0
255.06631	100.0
255.10263	20.7
255.13908	48.1
256.07022	7.9
256.14163	3.1
265.05084	3.3
266.05698	4.2
267.06491	2.9
271.09897	2.5
283.06186	5.6
283.09808	4.5
293.04553	4.4
297.11414	3.0
299.12869	10.7
300.09991	3.9
311.05612	14.0
325.07120	9.9
325.10822	23.4
326.10989	2.6
329.03088	2.3
343.04395	3.6
343.08182	39.7
343.11935	28.6
343.21271	6.1
344.08633	6.8
344.12308	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	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21802	0.2
69.05999	0.4
69.06406	1.1
72.99319	0.3
89.04028	0.2
105.03475	0.4
109.02963	0.5
115.01917	0.2
115.03977	0.2
123.04527	0.4
124.01662	0.5
132.02209	1.7
133.02972	28.1
134.03265	1.2
135.04552	2.2
137.02466	1.8
138.03195	0.6
139.04044	0.3
145.02962	0.4
151.04013	0.7
159.04520	0.7
161.02464	100.0
162.02805	3.7
165.01944	0.8
166.02737	2.6
179.03522	1.0
181.05078	2.5
197.04657	0.3
211.07639	0.2
214.11470	0.2
233.04449	0.4
269.04749	0.2
284.06885	0.4
299.09338	0.5
343.08304	1.4
343.21384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01693	0.7
63.98542	0.7
72.99319	12.3
93.03519	0.8
102.90969	0.8
117.03490	8.2
119.05054	11.1
123.04557	4.4
132.02187	1.4
133.02975	26.3
134.03708	2.4
135.04538	39.5
136.04880	1.4
145.02971	30.0
146.03300	2.1
146.72473	0.9
161.02463	100.0
162.02782	4.5
163.04025	15.3
179.03510	10.5
181.05089	37.4
182.05345	1.5
197.04555	9.2
275.05875	0.8
326.41745	0.8
343.08151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02985	0.6
69.26115	1.3
69.26519	2.7
72.99303	0.7
76.25014	0.6
80.38895	0.7
81.03471	0.8
91.01894	0.7
108.02201	2.6
109.02965	100.0
110.03309	2.8
117.03471	1.7
119.05039	1.3
121.02955	3.2
131.05037	1.0
133.02998	5.9
133.06610	1.7
134.03703	2.2
135.04533	8.6
143.05049	2.9
145.02971	13.7
145.04114	1.0
146.03781	9.1
147.04541	4.4
149.02469	0.8
158.03737	1.8
159.04530	5.0
159.28065	0.7
160.05272	2.3
161.02466	17.6
161.06097	5.5
162.02794	1.0
163.04010	1.6
171.04547	0.9
171.10304	3.4
174.03271	5.2
175.03996	0.8
179.03505	4.3
181.05099	3.4
189.05597	9.9
190.02791	0.8
193.06621	0.8
196.05330	1.2
197.04565	0.9
197.06154	1.1
199.07628	0.8
200.87904	0.7
203.08569	0.7
205.01451	0.8
205.97079	0.6
207.06680	1.4
209.06197	0.7
211.07672	2.0
218.02245	4.4
221.06073	2.6
222.06876	0.8
233.04579	49.9
234.04996	2.3
237.05553	1.4
238.06331	2.0
239.07178	2.4
248.04758	0.7
249.05630	2.9
250.06334	4.6
255.06668	1.5
264.00104	0.7
266.05850	2.7
267.06662	13.7
268.06973	1.4
285.17230	0.7
299.09366	2.0
313.10141	0.9
343.08267	41.2
343.21335	6.8
344.08499	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07413	0.2
57.23885	0.2
61.72667	0.2
69.24653	1.1
72.99308	0.4
74.03929	0.2
75.55991	0.2
76.31197	0.2
83.28885	0.2
95.05072	0.3
105.03488	0.3
109.02963	0.5
117.03533	0.3
124.01687	0.4
132.02180	1.6
133.02971	30.4
134.03250	1.2
135.04517	2.2
137.02472	2.1
138.03242	0.8
139.04015	0.4
145.02962	0.8
148.18849	0.3
149.02489	0.3
159.04559	0.5
161.02463	100.0
162.02808	4.6
165.01926	0.9
166.02739	3.2
167.02991	0.3
173.98907	0.2
176.49666	0.2
179.03511	0.7
181.05080	2.3
197.04570	0.5
267.06723	0.3
284.06882	0.4
285.07599	0.3
299.09283	0.8
305.31213	0.3
343.08051	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69910	0.5
56.45899	0.5
59.01378	2.0
69.03451	0.7
69.30054	2.4
72.99315	9.7
74.99114	0.8
75.00880	0.6
87.00891	0.7
97.19219	0.5
107.05034	0.9
109.02935	1.1
117.03514	2.9
119.05032	8.7
123.04543	2.3
132.02142	1.2
133.02972	25.7
134.03671	2.1
135.04539	36.3
136.04872	1.7
145.02960	15.0
145.04118	0.8
146.03262	0.8
161.02463	100.0
162.02783	4.5
163.04024	13.8
171.10272	1.7
179.03494	5.5
181.05092	36.4
182.05431	1.9
197.04591	5.7
197.09729	1.9
199.07553	0.6
201.09320	1.2
201.80994	0.6
211.07625	1.5
213.09111	0.8
215.07280	0.7
223.07623	4.2
224.08391	1.5
225.09238	2.3
231.10217	0.6
237.14755	0.5
239.07065	1.6
239.10883	1.4
240.07909	1.1
241.08804	3.0
241.12628	0.8
243.10316	2.1
245.11850	0.7
251.10799	0.9
253.01494	0.9
253.08719	0.9
255.10339	1.6
256.11041	0.8
257.08310	0.9
266.09473	0.8
267.06760	0.7
267.10281	3.9
268.11020	0.8
269.08228	5.6
269.11700	1.5
270.08835	0.6
271.09726	1.6
272.10620	3.6
273.11407	0.8
281.08194	2.6
283.09708	0.8
285.04166	3.1
285.07303	0.9
285.11038	1.1
286.04599	0.6
295.09775	2.0
299.09247	2.5
299.12790	2.2
300.06656	1.1
300.10031	20.7
301.10791	3.2
312.09738	0.8
313.10434	2.0
315.12378	6.4
325.10590	0.8
328.05865	2.5
328.12286	1.7
343.08667	2.2
343.11847	52.0
344.12262	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	343.0824
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.43207	0.9
59.01403	1.0
69.33245	4.7
87.74435	0.8
111.17903	0.9
123.04523	4.9
126.36153	1.0
132.02235	2.3
133.02988	5.0
161.02461	3.2
164.98288	1.8
170.03693	0.9
183.83694	1.0
186.03258	11.8
214.02782	4.1
226.15280	1.6
241.01448	1.9
242.02226	13.7
254.02240	1.8
257.00912	1.4
267.03201	1.0
270.01724	63.3
271.01978	5.0
285.04047	6.8
298.01205	35.7
299.01630	3.0
313.03564	91.2
314.03897	6.8
328.05902	100.0
329.06339	6.6
342.23672	4.9
343.08237	41.3
343.15414	2.7
343.23883	1.9
344.08646	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	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	62.0
60.01710	2.1
65.90707	1.7
69.03465	2.6
71.01379	5.0
72.99303	3.6
85.02982	2.8
89.02451	3.2
93.03497	4.0
93.12070	1.6
96.96030	2.2
97.93805	1.6
101.02441	4.1
109.02958	7.0
113.02455	4.2
121.02973	100.0
122.03309	2.8
123.04583	3.5
133.02966	6.2
134.03757	3.2
135.04550	37.1
137.02470	2.1
145.02939	1.7
145.78522	1.5
145.98903	1.5
148.04121	2.1
149.02431	2.5
150.03215	4.5
151.04041	3.3
152.55919	1.5
153.89723	1.5
161.02470	24.6
163.03986	2.4
165.02007	2.1
166.06358	3.5
177.01913	3.3
179.03499	4.0
181.05121	1.9
181.08769	3.0
185.01004	1.8
197.04417	2.4
209.06104	2.2
237.05582	2.0
255.10278	2.4
256.07373	1.6
266.05722	2.6
269.08145	2.2
281.04529	5.3
295.06149	1.7
313.07294	2.7
329.17889	1.7
343.04373	1.8
343.10150	2.7
343.13931	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	343.1189
Annotation	Clauslactone O
Peak:m/z	Relative Intensity
58.19906	2.4
59.01381	3.5
72.99335	3.1
83.05070	3.0
97.20308	3.0
102.89616	2.2
108.04409	2.8
119.05038	3.9
121.02985	4.8
133.02974	26.8
135.04541	20.1
137.02472	3.2
145.02980	5.9
161.02466	70.8
161.03745	5.2
163.03984	4.4
174.54912	2.4
178.02724	2.5
179.03531	11.5
181.05136	7.1
209.13373	3.4
223.07684	3.3
237.09267	17.2
237.12874	8.0
238.10005	10.2
239.10674	3.4
240.11584	5.0
243.10268	8.9
253.12381	51.6
254.12685	6.2
255.13898	19.3
281.11856	100.0
282.12186	12.0
286.92233	3.2
299.12988	18.2
343.08154	4.9
343.12015	5.1
343.15503	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	343.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.02026	0.3
58.70144	0.3
59.01386	0.5
63.72664	0.3
72.99316	1.4
88.79574	0.3
109.02964	2.0
117.03483	0.6
119.05044	0.6
121.02992	0.4
124.01685	0.5
133.02979	2.9
135.04533	3.5
145.02963	1.9
161.01123	0.7
161.02458	10.5
162.02844	0.7
163.03995	1.1
174.03294	0.4
179.03508	0.8
181.05098	2.4
194.07391	1.0
197.04543	0.8
209.09787	0.7
211.11363	0.8
221.09703	1.1
222.10489	1.1
223.09116	0.4
223.11302	9.9
224.12070	10.2
225.09192	0.5
225.12527	0.7
227.03777	0.4
227.14301	1.7
233.04376	0.5
254.09357	0.4
255.13922	100.0
256.11087	5.1
256.14258	10.0
257.11349	0.3
257.75226	0.3
299.12927	15.7
299.16400	1.3
300.13315	1.6
313.26437	0.4
343.04626	0.8
343.08212	0.7
343.11841	6.2
343.15573	1.6
343.21140	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1189
Annotation	Deoxyelephantopin
Peak:m/z	Relative Intensity
54.56604	0.1
55.01881	1.2
57.98407	0.1
67.83089	0.1
69.25002	0.7
72.99314	0.2
85.43186	0.1
88.43946	0.1
98.22633	0.3
117.49063	0.1
127.88306	0.1
133.02939	0.4
135.04526	0.3
157.06613	0.2
161.02480	1.6
163.03983	0.2
170.07359	0.2
171.08144	0.2
171.11865	0.2
172.05298	0.2
173.06119	0.7
181.05038	0.4
183.08151	0.9
184.08929	1.8
193.10260	0.2
197.09894	0.1
198.06912	0.2
199.07642	0.8
199.11322	0.8
209.13396	0.3
211.11328	0.2
212.08450	1.8
213.08971	0.2
221.09698	1.6
222.10089	0.2
225.09154	0.1
227.14423	1.8
228.14708	0.1
237.12782	1.2
239.10794	3.6
240.11563	5.3
241.12004	0.3
253.12427	0.3
255.13931	100.0
256.14273	9.2
259.39670	0.1
272.10602	2.7
273.10840	0.2
281.11859	0.6
299.12918	18.0
300.13263	1.8
325.10837	0.3
343.11877	11.1
344.12332	1.4
344.16086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
72.99313	0.3
86.85057	0.2
96.96008	0.4
109.02988	0.3
133.02959	1.1
135.04555	0.7
145.02986	0.5
155.98671	0.2
161.02466	3.5
163.04005	0.3
181.05061	0.5
193.10313	0.3
196.08961	3.1
197.09358	0.2
211.07639	0.9
211.11261	0.5
221.09734	16.7
222.10487	9.2
223.11092	1.5
224.08440	0.8
225.09241	0.3
227.07152	0.3
227.14432	1.7
237.05502	0.2
239.10950	0.4
240.11511	1.1
254.09587	0.5
255.13931	100.0
256.14276	9.8
256.16409	0.2
299.12900	17.1
300.13339	1.4
325.10867	0.3
343.08176	0.5
343.11890	5.6
343.21011	1.4
344.12161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89632	0.7
68.77965	0.7
69.28833	2.9
69.29240	1.3
72.99307	3.1
109.02971	1.2
123.04532	1.7
133.02977	3.6
135.04541	5.5
137.02477	1.1
145.02950	1.8
149.02492	2.0
151.04004	1.0
161.02460	12.6
179.03506	2.3
181.05002	1.8
197.04526	2.4
211.11224	1.0
225.12862	100.0
226.13184	8.8
255.05470	1.6
255.10324	1.6
255.13776	1.0
255.16144	0.9
259.86398	0.9
269.11807	3.3
287.20258	2.8
295.06180	3.3
296.06570	1.0
299.12921	25.3
299.16306	2.0
300.13229	2.2
311.09055	0.9
315.07828	0.8
315.19769	4.7
343.08130	1.0
343.12015	5.2
343.18939	13.0
344.07693	2.9
344.19492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1553
Annotation	CHEBI:68157
Peak:m/z	Relative Intensity
55.81399	0.6
59.63011	0.6
69.72754	1.3
69.73116	1.3
98.17932	0.6
111.05025	0.6
133.02972	0.8
161.02434	3.5
163.03963	0.7
181.05023	0.9
211.03925	0.8
212.04878	0.9
214.06448	0.8
221.09720	1.4
226.06357	0.7
227.10811	0.8
237.09187	1.0
237.12892	3.3
238.10020	0.8
239.10858	1.1
239.14365	0.6
240.11426	0.6
241.08717	2.3
241.12354	1.8
251.07120	1.9
252.07874	1.5
253.08679	1.3
253.12352	4.7
254.09476	3.5
255.10234	2.2
255.13916	1.9
256.10861	1.0
257.11902	1.1
265.08762	16.0
265.11740	1.3
266.09369	5.0
267.10202	2.1
268.11063	0.7
269.08179	2.5
269.11877	4.2
270.09402	0.9
270.12622	7.8
279.10330	3.0
280.11020	2.6
281.11862	63.5
282.09247	0.9
282.12366	10.5
283.09805	3.8
283.13345	4.2
284.10464	1.8
285.11398	1.0
293.12009	1.0
295.09848	2.0
295.13409	3.5
297.11328	17.4
298.12106	23.5
299.09390	1.2
299.12537	2.7
302.26511	0.7
310.12161	9.7
311.12921	89.0
312.13379	13.9
313.10785	5.3
313.14401	2.6
315.12366	1.8
328.13190	39.8
329.13519	5.1
330.11127	15.6
331.11346	0.9
343.12439	3.6
343.15533	100.0
344.15808	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	343.1555
Annotation	CHEBI:68157
Peak:m/z	Relative Intensity
59.01388	1.1
62.50716	1.1
69.11761	3.1
69.12183	3.2
76.75465	1.2
79.27589	1.0
144.29208	1.1
161.02429	4.6
172.73485	1.0
181.04982	1.3
197.32301	1.1
212.04900	1.4
221.09758	1.6
225.85918	1.1
237.12881	3.4
237.56189	1.1
241.08772	2.9
242.09464	1.4
245.42711	1.0
251.07091	1.6
253.08768	1.8
253.12279	4.1
253.90671	1.0
254.09422	4.9
255.10268	1.3
255.13934	1.5
257.19232	1.2
263.10919	1.4
265.08722	17.2
266.09412	4.2
267.10330	3.0
269.08197	2.2
269.11893	2.9
270.09134	1.6
270.12631	6.2
273.72269	1.0
279.10355	2.3
280.11038	2.0
281.11856	68.9
282.12326	10.6
283.09821	2.7
283.13321	3.1
284.10587	1.4
284.13669	1.6
285.11063	1.0
288.31281	1.2
293.11908	1.4
294.12201	1.2
295.10028	2.7
295.13312	1.4
297.11346	12.2
298.12115	27.9
299.12567	2.5
310.12128	9.4
311.12915	98.7
312.13385	16.8
313.10876	4.3
313.14447	3.8
327.12512	2.0
328.13181	38.1
329.13528	3.7
330.11096	19.4
343.15530	100.0
344.15860	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	343.1554
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
52.08633	0.5
52.67363	0.5
59.01382	0.7
69.03459	0.5
70.08416	1.3
72.34155	0.5
83.05032	0.8
99.08167	3.2
106.75570	0.5
121.10225	0.7
133.02919	0.5
143.94087	0.5
161.02493	0.8
164.39972	0.4
169.60005	0.5
171.10295	6.5
175.11293	0.7
193.12364	4.0
199.03943	0.6
200.04742	0.8
202.06352	3.6
203.06935	0.5
211.13464	0.7
213.05542	0.9
214.06378	5.8
225.14998	7.1
228.07974	2.2
229.08667	1.1
242.05836	1.7
243.15973	2.7
256.11044	0.8
267.13690	0.8
272.10623	0.5
285.15048	6.3
293.21338	0.6
300.13632	1.2
313.14627	0.9
315.16049	18.3
316.16452	1.2
325.14221	0.7
328.13351	0.8
332.12589	0.8
343.15549	100.0
343.24835	33.8
344.15869	10.0
344.25098	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
59.21981	0.8
69.44326	2.0
69.44707	2.3
94.42339	0.8
96.78481	0.9
99.08151	1.6
111.64988	0.8
121.10227	2.9
137.09685	1.3
139.11292	2.2
149.28375	0.8
161.02444	1.7
171.10291	23.6
172.10651	1.0
193.12312	5.0
202.06471	4.1
213.09201	3.8
214.06325	3.9
225.14948	6.4
228.08112	2.0
233.12369	0.9
239.10876	1.2
241.08691	1.3
242.05840	1.0
243.06442	1.2
243.16106	1.1
248.22661	0.9
255.10355	1.1
256.11102	1.1
267.10153	1.8
269.08337	1.0
269.11923	1.2
269.15466	6.4
270.12756	1.4
279.06058	0.9
280.89920	0.9
283.09872	1.1
285.14874	5.7
293.21283	2.2
299.16544	1.8
300.10068	2.3
314.11627	3.5
315.12509	1.3
315.16000	15.7
316.16263	1.8
343.11819	14.5
343.15536	100.0
343.24869	55.8
344.12100	2.1
344.15869	11.6
344.25226	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2494
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.20162	0.9
57.76487	1.3
59.01382	2.4
69.03457	1.0
69.33549	1.6
69.33949	3.5
83.05057	1.4
88.99055	0.9
95.03802	0.9
99.08171	11.1
115.94514	1.1
121.10278	1.4
125.09731	2.3
150.05092	0.9
161.02461	4.3
167.01453	0.9
171.10315	9.5
175.11232	1.5
185.12019	1.0
193.12350	18.0
194.12665	1.3
197.15594	1.1
211.13408	4.0
225.14955	24.1
225.17041	1.7
226.15280	1.8
242.02336	1.3
243.16051	8.0
270.01794	5.4
293.21320	2.7
298.01093	2.2
313.03564	7.0
328.05832	9.1
343.08279	3.4
343.24918	100.0
344.25253	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	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
61.98812	0.6
69.03468	0.9
69.25312	3.6
75.12569	0.8
99.08166	4.4
121.10258	2.4
121.86398	0.6
125.09781	1.3
137.09764	1.2
139.11299	2.0
141.60291	0.8
145.66628	0.6
158.11452	0.7
161.02411	3.3
171.10289	19.7
172.10588	0.9
175.11229	0.8
186.98820	0.6
193.12331	6.8
194.12816	0.7
202.06436	2.7
211.13423	1.3
213.09256	1.9
214.06374	4.2
225.14987	13.8
225.17079	1.2
226.15331	1.0
228.08006	1.2
229.08759	1.0
229.87663	0.7
243.15987	3.8
256.30969	0.6
257.08173	0.7
267.10361	1.1
269.12253	0.9
269.15509	3.0
272.10559	0.8
283.09912	0.7
285.14859	5.6
293.21185	2.2
299.13205	1.2
299.16718	1.9
300.10019	1.4
300.13437	0.9
313.14310	1.2
314.11618	2.6
315.12720	1.1
315.16037	15.7
316.16422	2.4
328.13226	1.5
343.11847	11.8
343.15540	100.0
343.24872	75.9
344.12204	1.6
344.15872	11.1
344.25192	7.3
361.65106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0537
Annotation	syringetin(1-)
Peak:m/z	Relative Intensity
55.19606	0.3
65.00319	1.6
77.98788	0.3
78.64648	0.3
93.03461	1.7
94.00581	0.4
108.02203	0.4
109.02994	0.4
110.00085	0.3
114.40040	0.3
118.72874	0.3
121.02985	1.9
122.00108	0.5
123.47290	0.4
124.01621	0.3
125.02444	0.3
132.02174	0.5
133.02925	0.4
136.01685	0.5
136.98790	1.3
137.02499	0.5
137.99525	0.5
139.03033	0.5
139.04027	6.1
145.02957	0.4
146.03743	1.3
147.00906	1.5
148.01674	5.5
148.98790	0.6
149.02455	8.8
149.99579	1.8
153.01945	1.3
158.03746	3.6
161.02461	1.9
162.03058	1.1
163.00325	0.4
164.98337	2.1
165.99101	1.1
170.03734	1.7
172.01653	1.2
174.03253	4.9
175.00398	7.0
176.00835	0.4
177.99127	0.9
178.99940	0.3
180.00661	0.6
181.01451	0.5
184.01628	0.5
185.02452	0.6
186.03235	3.8
189.01932	0.7
190.99878	1.0
193.01347	0.7
194.02271	0.3
197.02457	0.8
198.03236	0.4
201.01996	2.4
202.02747	34.0
203.03069	2.1
212.01099	0.9
213.01997	2.5
214.02744	4.2
227.03484	0.5
229.01369	2.5
230.02223	15.5
231.02509	0.9
241.01486	3.7
242.02209	4.9
243.02716	0.5
255.02951	0.4
257.00937	3.4
258.01703	21.3
259.02020	1.5
268.00076	0.7
269.00919	2.9
270.01700	3.8
271.02359	0.5
273.04053	0.5
283.02502	2.3
285.00439	2.1
285.04053	0.9
286.01224	76.4
287.01550	6.3
295.99573	1.2
297.00400	3.4
301.03580	10.7
302.04013	0.8
311.01999	0.6
312.02682	0.6
313.00235	0.4
314.00726	33.2
315.01114	2.6
329.03055	100.0
330.03384	9.4
344.05405	87.7
345.05740	8.6
345.16879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82108	33.8
61.98819	31.6
69.71261	100.0
198.14293	39.3
247.57851	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50970	1.7
72.99288	0.5
81.06256	0.4
88.23228	0.5
89.50236	0.4
93.03461	3.7
98.21944	0.9
106.04276	0.5
107.05041	1.6
117.03508	0.9
121.02982	1.1
134.03764	5.4
135.04539	100.0
136.04863	4.9
158.18295	0.4
161.02470	0.7
165.01952	6.9
179.03519	4.8
180.03784	0.5
197.04524	0.5
203.40688	0.4
238.20416	0.4
239.07045	0.4
257.08194	0.6
318.81912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.062
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
59.01407	1.6
61.68382	0.7
65.00365	1.9
69.42073	0.6
71.43028	0.6
82.00655	0.9
92.99860	0.7
93.03519	0.8
96.30704	0.6
96.99346	1.0
109.02972	3.0
110.00106	5.2
110.03305	1.3
111.00909	0.9
120.99377	0.7
121.03004	1.9
123.00977	0.6
124.14470	0.5
124.88768	0.6
125.02472	1.2
134.00146	0.6
135.04599	1.0
136.98877	2.1
137.99606	1.3
139.00409	3.1
139.04021	5.0
145.02943	0.7
147.00906	1.2
149.02467	12.7
149.03604	0.9
149.99654	2.7
153.01956	5.6
159.04620	2.0
161.02541	1.9
164.98309	17.9
165.99101	6.8
171.04553	1.8
173.02451	0.7
175.00414	5.6
175.03973	1.0
177.99052	3.1
178.99800	1.1
180.00705	5.9
181.01488	0.7
185.02548	0.7
187.04027	4.2
189.01952	3.3
197.02568	0.8
199.04121	2.8
203.03584	2.2
213.01996	0.9
215.03496	5.8
217.01483	1.4
225.02115	0.6
226.02625	0.6
227.03690	1.2
231.03058	6.3
234.04897	0.8
235.05122	1.4
241.01514	2.6
242.02205	1.1
243.02991	7.2
244.03429	0.7
245.00977	2.3
259.02475	5.2
269.00949	1.0
271.02457	3.3
284.03284	0.9
287.02005	26.4
288.02246	1.6
291.56039	0.6
315.01520	86.3
316.01797	6.5
330.03851	100.0
331.04135	8.7
345.06152	70.7
345.22897	1.5
346.06503	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	345.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.4
61.43655	1.5
62.84669	1.3
63.04832	1.8
69.03463	11.4
69.96037	4.2
87.00884	18.6
94.43916	1.4
98.22535	2.3
114.76031	1.9
123.04502	1.7
127.11286	1.6
141.07162	8.3
143.08652	1.8
167.08691	11.7
169.10249	32.7
170.10568	3.1
171.08275	1.8
179.08684	2.4
183.08157	1.9
192.99641	3.5
193.10236	11.2
195.11783	24.4
197.09724	59.3
198.10126	4.8
201.09245	3.2
211.11363	4.2
213.09303	34.8
213.12846	91.9
214.13200	7.5
225.13730	1.7
227.10881	1.6
229.08685	2.0
239.10818	11.8
240.11235	1.6
257.08261	39.4
257.11850	100.0
258.08459	3.5
258.12192	11.1
283.09882	3.1
301.10883	8.6
301.13974	2.3
345.06128	3.8
345.09830	36.2
345.13345	2.2
345.17032	2.8
345.22879	4.7
346.10318	3.5
352.19406	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	345.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66922	2.1
59.01386	30.4
71.01419	2.4
71.42155	1.9
82.63763	1.7
93.03481	5.5
109.02944	2.9
121.02972	36.7
122.03271	2.1
123.04541	100.0
124.04900	4.6
134.14879	1.9
135.04559	5.2
139.04016	2.1
143.11864	2.0
191.03481	2.9
202.98666	1.9
253.15959	1.7
283.06131	4.4
290.97424	2.8
345.12509	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1345
Annotation	Gibberellin A94
Peak:m/z	Relative Intensity
53.71704	1.5
69.32050	5.5
70.92892	1.4
72.99311	2.9
80.10683	1.2
99.83325	1.3
109.02969	2.1
114.69675	1.2
119.01398	2.6
120.51079	1.3
123.00880	1.4
123.04533	2.4
135.04579	4.0
139.86555	1.1
147.00894	7.1
147.17883	1.3
163.04068	2.2
172.08972	2.6
187.11256	3.4
195.11781	3.7
197.04597	2.7
213.12854	3.6
225.12846	1.9
227.10797	4.5
227.14438	100.0
228.14832	7.9
239.14342	2.6
257.11871	4.4
271.13416	9.8
283.13440	3.2
286.08481	2.4
297.11484	1.4
301.10843	11.7
301.14465	46.1
302.14847	4.0
345.10080	3.1
345.13434	59.4
345.22711	2.4
346.13779	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	345.171
Annotation	CHEBI:67672
Peak:m/z	Relative Intensity
51.73201	0.3
53.73585	0.3
64.04443	0.3
71.30153	0.4
77.57030	0.3
80.86780	0.3
107.54948	0.3
135.04535	0.5
161.02446	0.4
169.12724	0.3
182.76941	0.4
213.09242	0.4
214.06386	0.5
215.07083	0.4
216.07928	1.6
217.08626	0.6
228.07922	1.2
229.08696	0.5
240.11499	0.3
241.08690	0.5
243.10284	2.4
253.12289	0.4
257.11890	0.7
258.12616	0.8
259.13382	6.2
260.13779	0.5
269.15463	4.3
270.15881	0.4
283.13528	1.6
297.15021	3.2
298.15491	0.4
299.16501	0.3
313.14420	0.5
315.16125	1.5
327.16092	0.5
329.13895	0.6
345.17084	100.0
346.17429	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	345.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16265	0.7
68.13496	0.7
71.16785	1.2
129.78905	0.9
257.08218	3.3
258.08945	1.6
271.09720	1.8
272.10620	1.7
283.13376	2.5
285.11383	3.9
299.12964	8.0
299.16183	0.9
300.13684	53.0
301.14178	6.9
301.17911	1.6
313.14758	0.9
315.16104	5.3
317.17572	1.0
330.14761	65.3
331.15091	6.5
345.17099	100.0
346.13550	0.9
346.17426	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	345.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06329	0.5
55.19131	0.6
60.27388	0.5
63.54461	0.5
65.87951	0.5
69.17287	0.5
71.40812	0.8
90.13342	0.5
105.35121	0.5
120.87951	0.7
151.46582	0.5
178.66547	0.6
215.07132	1.0
215.10846	0.8
216.07817	1.1
217.08714	0.7
218.05754	0.6
229.08717	1.2
230.09517	1.8
246.09154	0.5
257.12015	0.7
258.08875	0.9
270.99030	0.5
275.16763	0.5
285.15021	2.0
287.13065	0.8
301.14560	0.9
313.14468	1.3
315.15884	0.6
317.17548	1.9
329.13947	1.5
345.17084	100.0
346.17496	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	345.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58212	1.5
59.46105	1.7
66.17229	1.7
81.98593	1.7
83.23907	1.8
86.74306	1.6
98.22649	2.9
187.07648	4.0
189.09274	7.9
198.10568	4.3
213.09285	32.3
213.12842	31.8
214.09564	2.4
214.13202	2.7
217.12407	2.1
223.14931	2.6
225.16470	1.7
226.10091	10.7
228.11597	7.4
230.13065	10.7
241.16031	6.5
245.11853	22.6
245.15504	66.6
246.11978	2.2
246.15923	6.5
251.14499	18.9
252.14854	2.7
262.12091	4.0
267.13901	9.9
269.15500	73.1
270.15863	6.0
271.17120	7.2
283.17041	2.8
285.14850	8.8
287.16592	10.1
297.15182	2.6
298.45386	2.0
299.16663	2.4
301.18124	32.0
302.18445	4.7
315.16101	15.4
319.19028	2.8
345.17105	100.0
346.17508	12.0
346.21307	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21721	1.0
69.22114	0.5
81.11673	0.3
114.29100	0.3
132.98424	0.3
171.10268	0.3
203.07164	0.9
205.12317	0.7
215.07129	0.3
216.07936	0.7
217.08665	2.3
218.09210	0.4
219.10306	0.8
229.08759	1.0
230.09442	2.2
231.06682	0.9
231.10141	0.6
233.11855	0.8
244.07442	0.6
244.10985	0.4
245.08240	1.0
246.09045	2.8
257.08316	0.3
257.11844	0.5
259.09763	0.5
269.11871	0.8
274.12161	0.5
285.14914	1.4
286.12140	0.7
286.15521	0.5
289.14450	0.5
291.10669	0.6
299.16324	0.5
301.14478	17.5
302.14758	1.7
308.85901	0.3
313.14423	0.9
315.16010	5.0
316.16351	0.5
317.17624	1.6
327.15778	0.4
329.14038	0.5
330.03922	0.4
330.14655	0.4
345.17096	100.0
346.17456	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	345.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60329	0.8
59.01397	0.8
63.95597	0.8
70.97788	0.8
109.37280	0.7
134.65166	0.7
135.04465	0.9
145.51274	0.8
186.95610	0.7
202.06363	1.1
211.70807	0.7
248.96114	0.9
269.12039	0.9
285.15057	3.0
290.97223	1.6
297.11374	3.3
297.14725	1.2
309.20728	1.3
315.12305	1.8
315.16031	7.2
327.16113	4.6
330.14743	44.4
331.15152	4.2
343.15588	1.1
345.17099	100.0
346.17422	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	345.171
Annotation	Unknow
Peak:m/z	Relative Intensity
65.33889	0.2
69.73868	0.7
86.26138	0.2
91.86873	0.2
127.02045	0.2
200.04807	0.3
202.06400	1.8
211.93025	0.2
214.06352	1.0
216.07927	0.3
228.07867	1.1
229.08626	0.4
232.07440	0.3
240.07919	0.4
241.08702	0.4
242.09392	0.3
256.11160	0.4
267.14084	0.4
270.12634	0.5
271.17047	1.0
282.12552	0.6
283.13290	0.4
285.15018	4.6
286.15198	0.3
297.15027	1.8
299.16544	0.7
313.14557	1.3
315.16022	12.0
316.16373	1.0
317.17697	1.4
327.16031	8.5
328.16360	1.1
343.15564	1.5
345.17087	100.0
346.17441	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	345.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73359	3.5
147.12881	1.1
243.69991	1.2
274.12213	3.6
284.14191	1.3
287.09158	1.2
287.12845	1.3
290.97034	1.3
297.11414	2.4
301.17993	1.4
312.13718	7.8
313.14359	3.8
313.17624	1.1
315.12341	1.2
327.16089	1.5
329.13992	4.8
330.14743	91.2
331.15128	9.2
345.17081	100.0
346.17477	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	345.1711
Annotation	Isorosmanol
Peak:m/z	Relative Intensity
50.79215	0.9
58.53428	0.8
71.29560	1.0
100.75240	0.9
113.81414	0.9
122.03737	3.6
137.06093	25.7
138.06410	1.4
148.48135	0.9
150.03209	4.2
150.06865	1.0
151.07610	5.1
161.09743	1.0
165.05573	12.4
166.06328	2.8
167.07080	1.5
175.11276	0.9
178.06354	2.0
179.07150	2.6
179.10715	1.0
191.07182	1.3
194.05943	1.5
214.10007	2.5
215.10658	1.4
227.10825	7.1
228.11218	2.1
229.12347	2.0
242.19293	0.9
253.15965	1.0
256.11038	1.5
257.11810	2.9
259.16995	1.0
267.13922	6.7
268.14606	3.1
269.15494	1.7
271.16956	2.7
272.10626	1.4
280.07440	1.9
281.08258	4.3
283.17053	70.2
284.17365	8.9
285.11319	2.2
285.18539	6.6
287.16418	1.2
289.17526	1.0
294.12640	2.4
297.14944	2.8
299.16431	4.9
301.21686	1.2
313.18112	54.4
314.18457	5.3
315.16071	3.3
315.19626	25.8
316.19913	2.4
317.17807	1.2
327.16061	11.1
331.19235	4.2
345.16980	100.0
345.20746	64.4
346.17294	11.4
346.21106	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	345.2072
Annotation	Methyl ent-6,16-dioxo-7,13Z-labdadien-15-oate
Peak:m/z	Relative Intensity
57.61468	0.4
64.78878	0.4
65.47424	0.3
69.40287	1.6
71.25771	0.4
98.22657	0.7
151.07658	0.6
163.07687	0.4
164.08466	0.4
193.08687	2.4
204.07933	1.1
205.08641	0.9
214.06380	0.7
214.10039	0.4
215.10706	1.9
216.07953	0.6
227.10791	2.9
228.11453	0.6
229.12326	3.2
230.09435	0.7
239.10716	0.8
241.08681	0.5
242.09419	0.6
244.11009	0.7
254.57024	0.4
255.10153	0.7
255.13911	1.5
256.11142	1.1
256.14606	0.4
257.11841	13.7
257.15024	0.5
257.15607	0.8
258.12213	1.5
264.84720	0.4
267.13922	0.4
268.14444	0.4
269.15448	1.6
270.12656	1.2
271.16934	0.8
279.14029	0.4
283.13507	0.5
283.16986	1.4
285.18604	10.6
286.19061	1.0
287.12970	0.6
295.17084	2.0
296.17517	0.4
297.15015	0.8
298.15366	1.5
313.18100	100.0
314.18478	12.2
315.16064	0.6
327.15945	0.9
345.17062	13.5
345.20627	1.3
346.17380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2075
Annotation	Methyl ent-6,16-dioxo-7,13Z-labdadien-15-oate
Peak:m/z	Relative Intensity
51.06785	0.7
61.98852	0.8
66.12411	0.8
66.68680	0.8
70.90537	1.1
77.45818	0.7
78.72841	0.7
97.66663	0.7
116.56456	0.8
134.22609	0.7
137.42418	0.7
149.54504	0.7
150.66776	0.8
151.07642	4.7
157.60147	0.6
188.08427	1.6
201.09222	1.0
204.07959	1.1
214.10016	1.6
215.07053	0.9
215.10783	1.6
227.10854	2.5
228.11491	1.3
229.08728	5.9
229.12332	1.6
230.09499	10.3
241.08711	1.7
241.12434	1.4
242.09529	2.0
254.85814	1.0
255.10301	2.1
256.10989	4.8
257.11746	1.4
269.15491	0.8
270.12680	3.7
270.15341	0.9
271.13327	0.8
271.16937	1.4
283.13919	1.4
283.17081	7.1
285.18604	7.8
295.17093	2.8
297.15112	2.0
298.15729	6.1
299.16162	1.2
312.17392	1.5
313.18124	99.7
314.18430	16.0
315.15955	2.0
315.19687	7.8
316.20120	2.2
317.17618	1.0
330.18427	3.5
334.13577	0.8
345.17056	10.7
345.20734	100.0
346.17429	1.0
346.21063	10.6
365.15121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2076
Annotation	Triptobenzene O
Peak:m/z	Relative Intensity
55.61006	1.8
58.44680	2.0
61.98821	2.9
68.37302	2.0
70.15975	1.8
77.48939	1.8
97.75790	2.2
105.07069	1.9
109.19088	2.5
128.97714	1.8
186.95624	2.2
214.09964	2.4
227.10835	8.6
228.11166	3.2
267.13843	3.3
268.14624	3.1
283.17056	99.1
284.17419	9.9
285.11450	2.8
299.16388	2.4
313.18155	13.8
315.19717	29.9
316.20020	3.7
331.19183	3.3
345.20721	100.0
346.21103	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	345.2072
Annotation	Lobophynin C
Peak:m/z	Relative Intensity
50.65182	0.8
52.81629	0.7
62.05682	0.8
62.75421	0.7
69.67592	3.5
95.81657	0.8
101.35436	1.0
129.61295	0.7
200.08456	1.8
214.09996	1.8
227.10831	5.1
228.11530	4.0
229.11916	1.0
232.07411	2.8
241.12337	12.7
242.12599	1.0
243.06650	0.9
253.12297	1.4
258.45917	0.8
267.13950	4.0
268.14597	2.4
282.16394	1.3
283.17059	66.7
284.17422	8.1
285.18695	1.6
297.15060	4.2
298.15756	3.2
313.18121	65.8
314.18494	9.5
315.15994	15.6
315.19666	17.3
316.16312	2.0
316.19888	1.8
331.19125	2.5
345.16965	24.4
345.20697	100.0
346.17496	2.1
346.21194	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	345.2074
Annotation	13,14-dehydro-15-cyclohexyl Carbaprostacyclin
Peak:m/z	Relative Intensity
52.93075	0.3
61.98840	0.6
70.01059	0.7
89.41457	0.3
152.86229	0.3
164.28970	0.3
189.09293	0.4
200.28586	0.3
215.10689	0.4
216.11514	0.5
217.12392	1.9
218.12785	0.3
229.12363	11.3
230.12766	1.1
243.13937	0.5
260.46118	0.2
271.17087	0.5
280.14789	0.5
283.16632	0.3
285.15292	0.7
285.18732	1.1
295.17026	1.9
300.17514	1.5
301.17929	0.4
313.18124	12.1
314.18466	1.4
315.16016	0.8
315.19519	0.6
329.17715	0.5
330.18356	5.3
331.18658	0.3
345.20737	100.0
346.21097	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	345.2074
Annotation	Ceriopsin E
Peak:m/z	Relative Intensity
54.99931	0.7
61.98820	1.0
62.00958	0.6
64.86267	0.7
69.81821	2.1
79.67035	0.6
99.48276	0.7
99.85617	0.7
114.66509	0.7
124.23082	0.7
130.02696	0.7
177.93701	0.6
200.08469	3.5
213.09189	1.1
214.10025	2.8
215.10817	0.9
229.12326	2.0
239.10757	2.2
240.11472	1.1
241.12376	1.4
248.96071	0.8
251.10835	3.6
252.11549	2.2
253.12424	0.8
265.12311	2.8
277.16086	1.9
279.13919	8.4
280.14633	2.3
293.15375	1.0
295.17056	99.3
296.17377	14.3
297.18631	2.9
299.16309	1.2
301.18118	0.9
313.18118	100.0
314.18503	11.3
315.16144	1.2
317.17627	1.0
327.15915	2.3
327.19489	1.0
345.16983	16.2
345.20764	68.3
346.17297	1.9
346.21036	7.8
366.58966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2076
Annotation	Methyl ent-6,16-dioxo-7,13Z-labdadien-15-oate
Peak:m/z	Relative Intensity
59.01329	0.3
61.98808	0.6
71.40462	0.6
76.54350	0.3
126.37531	0.3
135.45773	0.3
199.07803	0.3
214.07994	0.5
214.10022	7.7
215.10774	9.4
216.11049	0.8
217.12323	1.1
227.10799	4.0
227.98090	0.3
228.11444	0.3
248.96126	0.4
254.85469	0.4
260.87476	0.4
262.81058	0.4
271.17038	0.4
281.15555	0.5
282.12744	0.5
283.13419	2.0
290.96985	0.4
297.15076	2.8
298.15784	2.2
299.16086	0.4
313.18121	100.0
314.18478	12.6
315.19730	1.6
324.80737	0.3
345.20718	27.9
346.21164	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	345.2076
Annotation	Triptobenzene O
Peak:m/z	Relative Intensity
52.67574	0.7
61.98806	1.0
71.45657	0.9
118.94259	0.9
247.25749	0.7
260.28192	0.7
270.16278	14.2
271.16641	1.4
272.14365	1.6
281.04840	0.7
283.13464	6.1
285.18646	13.1
286.18982	1.9
297.15012	1.2
298.15784	100.0
299.16122	11.1
312.17081	0.6
313.18140	33.0
314.18518	10.1
315.16156	0.7
315.19666	14.2
316.20227	1.1
330.18210	1.5
345.09732	1.2
345.17361	1.7
345.20752	35.7
346.21188	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	345.2284
Annotation	oscr#20
Peak:m/z	Relative Intensity
51.93312	0.7
57.03462	0.9
59.01385	100.0
60.01716	0.9
71.41246	0.8
72.99316	1.3
75.01335	0.6
85.02936	0.9
97.06608	1.8
99.08165	6.2
109.02975	1.0
109.06583	4.4
123.04616	0.7
125.09753	1.5
127.07699	2.8
127.11320	6.4
135.04555	1.9
137.09735	0.9
139.11311	21.1
140.11673	0.8
155.10855	1.7
157.12355	16.9
158.12747	1.1
167.10825	0.9
227.10904	0.7
257.11826	3.8
257.14499	1.7
269.99454	0.7
301.10873	2.7
301.14343	1.7
327.21729	4.5
345.13666	2.6
345.22849	77.6
346.23242	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	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	74.1
60.01717	6.7
61.01820	1.8
61.98836	100.0
69.97701	0.6
70.91476	0.6
81.74721	0.5
157.03592	0.8
158.03751	2.0
159.03271	2.8
160.01680	0.9
160.03687	0.8
161.01237	1.3
201.02585	9.7
202.02727	29.8
202.98657	1.9
203.02304	34.1
203.98396	2.3
203.99966	34.7
204.02713	11.6
205.00217	2.7
205.02837	1.2
217.02408	0.6
346.03845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21961	0.4
54.09182	0.5
59.01384	38.9
60.01717	4.2
61.01811	0.9
61.98835	100.0
70.16703	1.1
135.04558	0.5
142.00601	0.4
157.03564	0.6
158.03815	1.0
159.01553	0.5
159.03439	1.4
160.01694	1.5
160.03728	0.6
160.97734	1.0
161.01308	0.6
174.99251	2.3
188.00818	1.7
189.00737	0.4
201.02577	3.8
202.02731	13.8
202.98792	4.9
203.02312	15.9
203.98288	6.1
204.00011	40.9
204.02693	4.3
205.00229	3.4
205.02765	0.5
217.00314	1.1
300.22577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31520	0.5
52.89376	0.4
53.79417	0.3
59.01385	100.0
60.01716	10.9
61.01816	3.0
61.98837	76.3
69.99012	1.3
98.22549	0.6
124.95378	0.4
133.56445	0.4
135.55754	0.5
155.78098	0.4
157.03651	1.5
158.03737	3.3
159.01540	0.7
159.03224	3.0
160.01717	1.8
160.03754	1.2
161.01323	1.4
174.99365	1.2
188.00519	0.7
201.02563	12.8
202.02734	44.7
202.99110	2.1
203.02299	49.9
203.98334	1.9
204.00101	28.2
204.02835	16.6
205.00177	2.9
205.02849	1.2
211.00276	0.9
214.75510	0.4
245.92145	0.5
288.35156	0.5
332.36954	0.4
340.84982	0.4
346.03714	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71482	0.7
59.01382	100.0
60.01714	10.8
61.01816	2.8
61.98834	95.5
69.95203	1.5
69.95549	1.1
82.18775	0.5
84.34224	0.6
92.60120	0.6
102.62328	0.5
109.37907	0.5
116.05853	0.6
123.49356	0.6
146.58702	0.6
150.64844	0.6
157.03574	1.0
158.03670	3.2
159.03232	2.7
160.01692	1.4
160.03683	0.8
161.01260	1.6
201.02542	13.2
202.02724	42.8
202.98862	1.9
203.02298	51.5
203.98402	2.2
203.99988	40.4
204.02713	16.2
205.00221	2.7
205.02779	1.1
315.40591	0.7
346.03708	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	347.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23515	9.1
59.01382	77.4
71.01390	53.4
71.39158	10.4
72.99301	32.9
73.02932	17.1
85.02932	10.5
89.02451	79.7
99.00901	68.6
101.02462	12.8
109.02953	12.0
113.02462	21.6
119.33224	8.8
123.04545	16.5
131.03508	18.4
135.04530	100.0
149.04590	98.4
149.05783	14.2
177.05595	20.8
179.03609	21.8
189.05589	30.9
191.05643	39.1
197.04570	45.6
221.04596	13.7
233.06737	28.4
293.08716	23.0
305.25650	11.0
311.07660	18.1
347.07666	34.6
347.13217	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	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.9
69.60439	1.4
71.01376	4.4
71.42348	1.7
73.02960	9.8
73.38240	1.4
75.00860	2.3
85.02972	1.5
95.05115	1.3
101.02440	2.1
118.07719	1.5
133.02936	1.4
135.04552	3.8
139.81334	1.3
143.10796	100.0
144.11096	3.6
157.12303	4.4
157.13522	1.3
169.12308	1.8
179.03427	1.4
197.11969	8.0
199.26276	1.3
202.13187	1.3
215.12755	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	347.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54950	0.5
55.01868	0.6
56.36077	0.5
56.71812	0.5
57.03446	1.2
59.01387	100.0
60.01725	1.8
63.99083	0.5
68.99831	0.7
69.41867	2.5
71.01392	7.2
71.01753	0.8
71.05029	0.6
73.02953	2.6
83.01419	1.2
85.02957	4.0
89.02460	1.5
96.96041	0.6
98.22662	0.9
99.00870	0.9
101.02439	4.7
109.02988	1.1
113.02481	3.8
123.77708	0.5
135.04561	0.8
143.10829	1.5
159.02985	0.7
161.04565	3.3
215.10870	1.2
218.30589	0.5
237.09355	0.7
259.14603	1.8
305.16223	2.1
347.12903	7.5
347.16989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03453	1.0
59.01387	100.0
60.01737	0.7
71.01391	10.9
71.43768	0.6
72.99345	0.4
73.02964	3.8
83.01418	1.6
84.88268	0.3
85.02968	5.7
85.06625	0.9
89.02460	1.8
95.01429	0.9
99.00916	1.4
101.02461	6.4
113.02460	3.6
113.03014	0.3
135.04568	1.1
143.03519	0.4
143.10799	3.9
159.03040	0.8
161.02556	0.5
161.04588	5.6
161.05859	0.5
179.03526	0.5
196.15201	0.4
197.04688	0.6
305.16119	2.7
342.54245	0.5
347.12915	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1715
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.75560	0.8
52.02934	0.7
55.01881	0.9
57.03454	1.2
59.01386	100.0
60.01702	1.1
71.01389	46.8
72.99308	1.7
73.02949	1.6
83.01414	2.0
85.02956	9.0
85.74673	0.7
89.02458	46.2
90.02778	0.9
95.01389	3.5
101.02452	33.0
107.43789	0.9
113.02467	18.1
119.03516	23.3
119.47308	0.9
120.03848	0.9
126.33907	0.8
131.03535	1.9
134.03804	1.0
135.04503	1.0
143.03488	2.3
149.04550	1.3
161.04680	1.2
167.10767	3.5
169.50659	0.8
170.70601	0.8
179.05663	2.7
185.11819	3.9
213.33308	0.8
270.84659	0.8
347.17105	28.8
348.17477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08904	6.6
78.70869	0.9
94.30839	1.0
100.54692	0.9
122.35673	1.0
139.65556	1.0
173.13422	1.6
188.08379	1.0
201.09183	1.4
204.07991	1.2
213.39497	1.0
217.08640	2.8
227.10812	1.4
240.11478	1.1
255.14035	1.7
258.12659	1.7
259.17209	1.6
271.17072	1.8
273.18604	5.4
283.17090	6.0
285.15121	1.9
299.16455	1.9
301.18121	100.0
302.18414	10.3
306.77655	1.2
317.17639	1.3
319.19196	19.0
320.19656	2.5
329.17520	1.7
347.15317	2.9
347.18649	78.4
348.19022	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15614	0.3
59.63997	0.3
60.87600	0.3
96.78288	0.3
107.46410	0.3
158.66693	0.3
160.30553	0.3
201.05550	0.7
214.06235	0.3
214.47176	0.3
215.06956	0.4
216.07863	0.6
243.10199	1.8
243.17590	0.5
258.12604	0.9
259.17102	0.5
269.15579	0.9
272.14157	0.6
285.15085	1.2
287.16568	33.4
288.16925	3.2
299.16550	20.6
300.16876	2.0
315.16013	3.7
316.16571	0.5
317.17596	68.5
318.14471	0.6
318.17969	7.7
347.18658	100.0
348.18994	12.7
348.23331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1866
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
55.98430	0.3
66.90705	0.3
69.28031	2.2
70.53368	0.4
96.90083	0.4
109.02982	0.8
133.02977	0.5
135.04526	1.4
149.02431	0.7
161.02441	1.5
171.15094	0.4
200.08440	0.6
200.41150	0.4
211.07683	0.5
212.12007	1.0
213.09225	18.5
214.09645	1.2
215.15257	0.4
225.09225	0.5
225.16504	1.1
230.09491	0.4
240.11566	4.2
241.16087	1.9
243.10251	0.7
253.12486	0.9
254.13150	0.7
265.12366	0.5
267.06494	0.8
269.15482	37.9
270.15771	4.2
271.09821	0.6
281.15485	5.9
282.15634	0.6
299.16544	19.4
300.16760	2.3
311.16574	0.6
329.17416	3.3
344.39081	0.4
347.18649	100.0
348.19006	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	347.1866
Annotation	Tricalysiolide B
Peak:m/z	Relative Intensity
55.54370	1.1
65.90455	1.2
69.93679	4.3
77.86466	1.1
98.21931	2.1
101.96533	1.3
124.46395	1.2
139.78845	1.2
210.08194	1.4
217.12259	1.4
245.19115	2.2
255.17598	2.0
258.12637	8.6
259.16965	2.3
269.15494	3.1
271.16998	12.3
272.17477	1.4
273.18600	28.2
274.18985	2.0
287.16602	17.3
288.16849	2.2
289.18109	5.5
299.16550	35.8
300.16937	3.4
303.19672	5.6
317.17618	23.8
318.17978	2.5
347.18643	100.0
348.18976	10.0
357.07224	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	347.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03997	0.7
61.98818	1.4
62.50500	0.7
68.83099	0.7
70.22945	1.5
73.02948	2.9
109.06562	0.8
111.08126	0.7
111.29018	0.7
123.08165	0.8
124.01636	1.1
125.09769	1.3
137.06085	2.9
137.09706	1.3
139.07668	1.0
150.06877	0.9
151.03966	0.9
152.04793	0.9
153.09200	4.1
163.07642	0.8
165.05588	5.4
165.09192	5.7
166.06337	7.4
167.07144	9.5
177.05586	0.8
177.09264	1.9
178.06314	1.0
189.09206	1.4
191.07123	1.7
192.07878	1.9
193.07063	1.4
193.08713	14.9
194.05812	1.3
195.06682	1.0
204.07875	1.2
205.08794	1.2
205.12325	2.2
206.09436	1.8
207.10320	1.0
217.08694	1.1
218.09464	2.7
219.10281	1.4
224.06956	0.9
227.10742	1.2
231.13783	0.8
232.10963	1.2
233.11891	4.3
244.10876	1.0
246.88441	1.0
260.14270	0.9
261.18631	0.9
273.14914	2.2
274.15430	0.9
275.16531	1.2
283.16812	0.9
285.18134	2.5
286.09125	0.9
287.16534	1.2
289.18130	5.0
299.16397	1.9
300.16589	1.3
301.17990	2.2
303.19495	1.0
304.13287	1.2
311.16544	1.9
315.19583	9.0
316.19940	0.8
317.20563	1.2
319.19083	4.5
320.19376	1.0
329.17691	4.1
329.21002	0.9
347.18582	100.0
348.18890	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31328	0.4
58.69685	0.3
69.24818	1.8
77.34116	0.3
97.57483	0.3
100.46989	0.3
101.59776	0.3
150.06821	0.4
151.07651	0.4
157.86250	0.3
189.05652	0.3
199.07631	0.3
212.21420	0.3
215.10814	0.5
230.13068	1.9
230.41066	0.3
243.10153	0.4
245.15553	0.6
257.11526	0.4
267.13937	0.6
268.14728	1.1
271.13318	0.5
285.14902	0.4
286.12622	0.5
286.15778	11.9
287.16217	1.4
288.13751	1.2
297.14978	0.4
301.14899	0.3
301.18124	7.9
302.18588	1.0
303.19611	0.8
314.15256	7.7
315.15775	0.7
328.16846	1.1
329.17609	11.2
330.18069	1.9
344.01297	0.3
347.18671	100.0
348.19031	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	347.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18789	0.3
59.01379	0.6
65.95905	0.3
70.05170	0.3
109.02975	0.2
135.04581	0.3
156.08441	0.3
179.07201	0.9
203.10805	0.3
205.12462	0.3
215.10905	0.4
230.13181	0.9
233.11839	0.6
243.10405	0.4
268.14728	0.4
271.09799	0.6
271.17328	0.3
275.16498	0.3
286.12756	0.3
286.15771	6.2
287.16232	0.9
288.13846	0.4
296.14185	0.4
297.14896	0.6
299.13013	1.4
300.13004	0.3
301.18088	5.7
302.18457	0.4
303.19702	1.1
313.14490	0.4
314.15277	42.1
315.15652	4.8
329.17624	4.9
330.17880	0.4
332.16278	0.3
347.18652	100.0
348.18997	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	347.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42185	0.6
53.82113	0.5
59.01382	0.6
61.61449	0.5
65.14312	0.6
69.33955	1.4
69.34371	2.2
79.11131	0.5
83.36973	0.5
83.58052	0.6
102.61263	0.5
109.02974	0.6
135.04549	0.6
135.34409	0.6
161.02475	0.7
162.06834	0.8
163.07674	0.7
164.04800	1.7
175.04027	1.2
176.08405	0.7
177.09259	1.5
178.06378	1.5
179.07155	45.0
180.07503	1.8
190.06390	1.0
190.10023	0.6
196.03807	0.9
200.08429	2.1
203.07162	3.9
204.07494	0.7
205.12357	3.4
215.10785	6.6
216.11073	0.6
217.08694	5.3
218.09338	1.1
230.09576	0.6
230.13176	2.4
233.11855	31.4
234.12190	1.7
243.10248	0.6
252.37929	0.7
271.13422	2.5
276.64868	0.6
281.11807	1.4
285.14835	0.6
286.15775	9.7
286.18646	0.9
287.15781	0.8
301.18115	39.3
302.18369	4.7
303.19504	0.9
314.15259	11.7
315.15607	1.4
319.19202	2.9
329.17596	6.5
330.17883	1.2
347.18658	100.0
348.18991	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	347.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00584	10.5
67.06770	8.6
69.21583	54.2
85.00449	15.8
86.42035	8.9
107.98988	10.3
111.95727	10.9
171.62950	9.2
205.61382	11.2
262.97049	9.5
271.17203	11.4
287.16763	9.6
299.16541	30.9
301.18369	14.9
317.17606	27.4
329.17624	22.4
347.18634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2233
Annotation	Methyl ent-16-hydroxy-6-oxo-7,13E-labdadien-15-oate
Peak:m/z	Relative Intensity
50.05600	3.2
56.70304	2.6
58.87265	3.2
61.98829	13.2
67.67913	2.8
69.27381	3.1
70.69888	6.8
96.96018	4.5
118.84693	4.1
119.71575	3.2
144.01219	2.9
146.96696	2.7
224.31091	3.1
237.60555	3.3
257.15454	27.1
264.01697	3.3
297.18613	22.4
315.19662	100.0
316.20029	10.3
317.20804	4.1
347.18646	4.7
347.22345	72.7
348.22665	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	347.2236
Annotation	Methyl ent-16-hydroxy-6-oxo-7,13E-labdadien-15-oate
Peak:m/z	Relative Intensity
57.01412	1.1
61.98838	3.4
70.08560	2.0
70.08931	2.2
76.12931	1.3
78.46282	1.0
84.03848	1.0
84.53437	1.0
91.60476	1.0
98.22503	1.3
146.96576	1.1
149.35220	1.2
152.34273	1.1
181.16333	1.2
241.12427	1.2
257.15500	32.1
258.15863	2.7
265.14865	1.7
297.18619	16.8
298.18958	1.6
299.16382	1.9
300.17053	1.8
315.19669	100.0
316.20016	14.7
347.18680	2.9
347.22281	60.4
348.22537	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	347.2234
Annotation	Rostratone
Peak:m/z	Relative Intensity
56.47290	0.4
59.54774	0.4
60.49721	0.4
61.98807	1.5
69.88806	1.8
74.43257	0.5
81.46975	0.5
82.35316	0.5
87.25569	0.5
96.80859	0.6
116.92765	0.6
166.44089	0.5
201.09265	8.5
202.09557	1.2
203.10829	0.6
214.10065	2.7
216.11563	0.8
227.10678	0.7
228.11131	0.8
230.12764	0.5
269.15500	1.9
270.16055	1.3
283.16806	1.8
284.17609	1.8
285.18640	96.0
286.18973	12.3
286.21893	1.0
315.19687	100.0
316.20032	11.8
317.17636	4.2
347.18539	4.7
347.22241	4.8
348.22592	1.0
365.82092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2233
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
59.92818	0.6
64.93661	0.6
70.57545	1.0
111.55733	0.6
164.08424	2.6
229.08797	1.1
243.10275	2.7
244.11006	4.5
251.48438	0.6
299.16394	1.2
300.17233	1.8
315.19675	100.0
316.19992	10.7
331.38263	0.8
347.18607	1.8
347.22202	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	347.2232
Annotation	Rostratone
Peak:m/z	Relative Intensity
69.64900	1.0
127.60881	0.3
137.17728	0.3
201.07401	0.3
201.09229	6.5
202.09703	0.5
214.09949	2.2
215.10503	0.3
228.11551	0.5
261.05893	0.8
269.15399	0.4
270.16376	0.5
274.82916	0.4
283.17130	0.5
284.17688	1.0
285.18640	100.0
286.18976	11.9
287.20074	1.5
315.19690	76.8
316.20041	8.8
317.21164	1.2
347.22296	65.3
348.22653	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2232
Annotation	Methyl ent-16-hydroxy-6-oxo-7,13E-labdadien-15-oate
Peak:m/z	Relative Intensity
52.51323	0.1
57.25638	0.1
68.97211	0.1
71.16283	0.2
126.47780	0.1
151.07669	0.3
164.08430	0.3
188.08444	0.2
193.12355	0.2
194.65727	0.1
195.06699	0.2
201.09265	0.2
213.09265	0.2
214.10014	1.8
215.10675	0.7
217.12370	0.3
227.10747	1.1
228.11601	1.1
229.12093	0.2
243.14001	0.3
244.14445	0.2
257.11938	0.3
257.40414	0.2
259.17004	2.0
271.17148	0.3
282.16293	0.7
283.17062	3.9
284.17410	0.4
285.15033	0.2
299.16589	0.8
300.17188	0.7
301.17953	0.4
315.19672	100.0
316.20016	12.3
317.17834	0.2
317.21097	0.9
329.17682	0.3
347.18466	3.2
347.22287	21.8
348.18954	0.3
348.22711	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	347.2228
Annotation	Methyl ent-16-hydroxy-6-oxo-7,13E-labdadien-15-oate
Peak:m/z	Relative Intensity
58.76395	0.8
60.69145	0.9
83.05003	1.0
110.27084	0.9
121.99017	0.9
173.08850	1.0
182.95000	0.9
213.09145	0.9
229.12375	1.0
243.10184	1.0
255.13802	1.0
261.05832	3.5
269.15335	1.4
270.16263	1.8
273.14975	3.2
285.18625	50.1
286.18997	4.4
287.16666	4.9
287.19589	0.9
297.18597	10.9
299.16638	5.0
304.73187	1.0
313.18005	3.5
315.19666	100.0
316.19968	11.9
317.17599	13.4
317.21121	0.9
318.17877	2.2
347.18216	14.4
347.22281	61.5
348.18442	1.4
348.22537	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93612	0.3
53.58607	0.3
59.01379	0.4
69.15643	0.5
69.16042	1.4
87.68787	0.4
90.60585	0.3
98.22749	0.7
108.52416	0.3
114.47808	0.4
165.05446	0.4
214.09985	2.0
215.10757	1.1
217.12274	0.5
227.10863	1.3
228.11533	1.0
242.54707	0.4
258.88861	0.3
259.17053	1.8
282.16333	0.5
283.17072	4.0
284.17465	0.6
299.16473	1.0
300.17163	0.6
301.17569	0.7
313.14120	0.3
315.19666	100.0
316.16321	0.7
316.20020	12.1
317.21268	0.8
329.17682	0.7
330.43723	0.3
347.18463	5.3
347.22287	19.0
348.19058	0.7
348.22644	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	347.2232
Annotation	Methyl ent-16-hydroxy-6-oxo-7,13E-labdadien-15-oate
Peak:m/z	Relative Intensity
59.54428	0.4
61.98834	0.8
71.03292	0.4
74.83985	0.4
76.32128	0.5
88.97088	0.5
98.21821	1.0
109.06628	0.7
125.09729	1.1
129.70250	0.4
143.24666	0.4
149.09709	0.5
160.05304	0.7
164.08435	0.5
165.09204	0.5
177.09268	2.0
178.10005	0.5
179.10753	1.1
183.26950	0.4
186.93532	0.5
189.09229	2.6
190.09937	1.9
203.10895	0.5
204.11542	3.6
215.10698	0.5
241.12381	4.3
259.13434	0.8
260.10596	0.4
261.05911	0.5
272.14166	2.6
287.20294	0.9
297.18640	3.2
300.17133	0.7
315.19675	100.0
316.19995	10.6
316.23569	0.7
347.17529	0.7
347.22287	4.0
348.22437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2228
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
54.19627	0.8
61.98814	1.6
62.19651	0.6
69.10906	3.3
69.11316	1.2
93.60900	0.6
94.92461	0.7
110.33809	0.7
113.38374	0.7
119.94707	0.7
218.13084	3.1
245.11736	1.0
258.12601	1.0
261.87714	0.7
274.15765	5.6
274.18884	1.3
282.16229	0.8
283.17026	1.7
287.16568	1.7
301.18103	15.9
302.18781	15.6
303.19165	1.5
305.17130	0.8
315.19473	3.4
316.20023	1.2
332.19940	100.0
333.20367	11.1
347.22284	49.4
348.22668	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	348.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96946	6.1
59.01388	100.0
61.76945	5.6
71.01378	30.8
73.02949	14.4
81.48656	6.6
85.02969	10.4
87.00912	7.0
89.02441	14.3
89.35735	5.8
99.00910	6.9
101.02466	29.1
108.43191	5.3
113.02489	11.8
113.55328	5.7
119.03516	8.7
134.03741	6.7
135.04541	44.4
136.04875	10.7
161.04532	14.6
179.03482	9.8
197.04620	8.6
197.67143	6.6
255.77028	6.5
305.11530	12.5
307.14157	9.4
348.13147	17.7
348.17230	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	349.1142
Annotation	Prodiamine
Peak:m/z	Relative Intensity
55.01852	1.2
57.03455	1.4
59.01384	22.6
65.62284	0.8
67.24677	0.8
68.99825	0.9
69.03466	1.1
69.21967	4.7
71.01384	17.7
72.99319	6.5
73.02950	1.7
75.00877	17.9
85.02956	18.6
87.00895	7.9
88.63698	1.0
89.02457	5.7
93.03484	1.0
94.45110	0.9
95.01400	5.0
99.00897	9.4
99.04524	100.0
100.04860	2.7
101.02435	1.2
103.00381	2.1
107.65714	1.1
110.12415	0.9
111.00900	1.3
113.02457	24.6
114.02805	1.2
115.00387	1.9
117.01960	3.4
124.04935	0.9
135.04535	3.0
136.04886	1.1
157.01465	1.0
175.02475	2.2
197.04640	1.0
231.05144	3.8
241.01033	0.8
249.06157	28.2
250.06563	1.2
267.07257	3.6
271.06131	1.3
331.10272	3.2
349.11420	56.4
350.11691	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	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.3
59.01385	100.0
60.01699	1.5
61.98836	35.4
65.17437	0.8
69.03463	25.2
70.03781	0.9
70.60416	1.7
71.01390	3.9
72.99304	2.3
85.02967	1.1
89.02443	2.3
97.02979	7.0
98.22605	1.3
99.00883	6.4
101.02470	2.2
108.64542	0.8
109.02946	0.9
113.02477	1.2
119.03480	1.0
119.05025	3.9
119.09999	0.9
120.55897	1.0
123.04533	1.1
131.04973	1.0
133.02986	1.5
134.03668	1.3
135.04533	12.7
141.01967	1.4
145.06609	0.9
148.25392	0.9
159.04536	1.3
163.04025	3.1
166.01791	1.2
167.00146	1.4
169.08727	1.3
179.03488	3.6
185.00946	9.8
186.07756	1.7
187.04099	1.1
209.97220	0.9
211.43713	0.9
228.02963	3.1
262.03955	2.1
269.08267	1.0
350.02969	2.1
371.79855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1869
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01880	2.8
57.03442	4.1
59.01384	100.0
60.01701	1.1
69.03458	1.9
69.41787	0.8
69.72549	1.7
69.72948	2.1
71.01389	73.6
72.01732	1.4
72.99323	2.4
73.02953	9.2
75.00883	1.2
83.01370	4.3
85.02956	21.2
87.00880	2.9
87.04500	1.9
89.02451	57.8
95.01387	5.5
99.00884	3.8
99.04520	5.2
101.02454	40.4
113.02459	31.1
118.24949	0.8
119.03513	27.3
122.51877	1.1
123.04596	1.0
131.03525	2.4
135.04538	3.7
143.03529	3.7
149.04610	2.1
158.72368	1.0
159.02998	2.2
161.04570	16.8
162.04901	1.2
165.55865	0.9
179.05634	7.5
185.11858	1.4
187.13431	9.7
199.25543	0.9
228.54819	1.0
249.06192	2.0
349.11450	3.0
349.18692	32.3
350.19083	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	349.1872
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01875	1.3
57.03446	2.7
59.01387	100.0
60.01706	1.7
69.03445	1.6
69.71913	4.4
71.01390	69.8
72.99298	2.6
73.02979	7.1
73.08422	1.3
79.93951	1.4
82.74895	1.0
83.01399	3.2
85.02960	17.7
87.00887	2.5
87.04523	2.3
89.02456	56.6
95.01392	4.4
99.00883	2.9
101.02457	35.0
107.90821	1.1
113.01727	1.6
113.02469	24.4
118.79624	1.1
119.03526	27.0
131.03491	2.2
135.04524	6.7
143.03510	4.0
149.04579	2.4
159.03036	2.1
161.04570	16.6
176.01180	1.5
179.03598	1.1
179.05609	5.4
187.13441	5.6
255.36711	1.4
267.23386	1.4
271.06064	1.6
281.03918	1.3
286.08469	1.4
301.10919	3.3
349.14413	2.0
349.18686	26.4
350.19052	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76453	0.5
57.03440	0.8
59.01385	18.6
71.01388	7.4
71.27436	0.8
73.02960	2.3
73.91364	0.6
75.00870	0.8
83.01418	1.2
85.02959	2.6
87.00889	1.2
89.02458	4.4
91.54731	0.6
99.04559	0.7
101.02452	4.3
101.97792	0.6
113.02476	2.8
116.92881	0.9
119.03536	2.0
123.04536	1.0
127.07668	100.0
128.08011	4.1
133.02982	2.5
134.03737	0.7
135.04535	1.2
144.04633	0.8
145.08801	0.9
146.02501	2.5
147.03265	4.6
148.04063	0.8
160.04089	3.3
161.04581	0.7
171.06651	84.9
172.06964	3.3
173.04620	2.2
175.02545	1.0
177.01942	0.8
202.05057	0.9
214.05177	0.8
251.06377	0.7
269.62845	0.7
307.13708	2.1
310.09467	0.6
351.12970	38.6
351.16492	1.4
352.09946	1.4
352.13333	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56105	1.2
52.85620	1.3
57.03440	4.1
58.11408	1.4
59.01384	37.4
60.67975	1.3
68.99808	1.6
69.03438	1.4
70.77258	1.5
70.77587	1.5
71.01390	18.0
72.99315	6.2
73.02953	3.9
73.98654	1.5
75.00883	19.8
77.14378	1.6
83.01402	2.1
85.02962	26.0
87.00893	10.4
89.02444	10.3
93.03479	4.6
95.01397	6.3
95.05009	1.5
95.19370	1.3
96.99339	2.0
99.00896	11.0
101.02474	3.7
101.06097	100.0
102.06440	2.2
103.00343	2.2
105.03414	1.4
108.02083	1.2
111.00156	1.3
111.00880	3.7
113.02462	32.7
114.02785	1.5
116.92924	2.2
117.01946	3.8
123.04578	2.8
127.07642	1.8
129.02011	2.5
133.02974	13.7
134.03723	2.0
135.04575	2.8
146.02579	2.6
147.03268	2.6
149.02504	2.2
150.03236	1.4
157.41393	1.1
160.04085	1.6
161.02431	6.0
173.04573	17.1
175.02489	5.2
175.03973	2.1
177.01938	5.0
178.02756	1.8
179.07220	1.4
193.05107	2.0
205.05258	2.2
205.07265	4.5
223.08073	1.8
224.46452	1.3
249.06168	7.6
267.07263	5.0
307.13110	2.2
320.83563	1.4
333.11932	3.4
351.07584	3.5
351.12988	86.8
352.13281	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
57.83460	1.1
59.01388	100.0
61.76855	1.0
69.95538	1.5
69.95894	3.2
71.01388	10.5
73.02950	3.4
82.60449	1.0
82.82929	1.1
83.01438	1.5
85.02959	3.9
88.47135	1.1
89.02467	1.6
92.30288	0.9
99.00928	1.2
99.79475	0.9
101.02455	6.1
113.02431	4.3
118.17414	1.0
123.04544	12.5
127.07724	1.5
129.05611	1.5
132.81407	1.2
133.02969	4.1
135.04552	1.7
147.06673	1.5
150.94832	8.3
152.08844	1.1
153.05594	25.0
154.06067	1.5
159.16057	1.1
161.04564	11.7
189.05701	2.2
189.07713	4.8
190.13614	1.1
192.95892	50.7
193.96233	1.7
209.84337	1.2
247.76228	1.1
260.29727	1.2
306.02817	1.1
315.10776	8.1
361.54034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.1
55.44325	0.7
57.03470	3.3
59.01388	15.8
62.28466	0.7
64.71658	0.6
68.99834	1.0
69.03490	0.8
69.20375	2.7
69.20774	1.7
71.01394	12.7
72.99318	4.1
73.02962	0.9
75.00883	15.3
85.02957	14.7
87.00890	5.4
89.02469	3.6
90.72307	0.7
95.01389	3.7
99.00889	8.1
101.06093	100.0
102.06423	3.5
103.00381	1.9
111.00852	0.9
113.02465	22.6
114.02784	0.7
115.00356	1.1
116.92872	0.9
117.01957	2.2
129.02011	1.7
157.01349	1.1
175.02496	2.2
189.04102	0.8
205.07263	0.9
231.05164	2.4
249.06184	16.8
267.07281	1.4
291.10944	1.2
304.23788	0.7
320.14648	0.8
333.11694	3.2
337.40109	0.8
344.25272	0.7
351.12982	65.8
352.13309	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	17.3
69.70737	8.2
71.01393	18.0
71.31510	2.1
71.42218	2.1
72.99323	5.2
73.02952	7.9
79.00744	1.9
83.01403	3.4
85.02955	7.7
89.90846	2.1
93.93866	2.1
98.21932	4.8
99.00916	2.7
99.04532	100.0
100.04875	3.2
101.02452	16.1
113.02460	8.1
118.45923	2.3
123.04575	4.3
133.02997	8.3
134.03777	2.4
135.04541	25.1
145.02974	3.4
161.02478	26.7
161.04543	10.9
177.68152	2.2
179.03528	6.8
179.84518	2.0
182.76222	2.4
183.99217	3.4
187.34807	2.3
197.04694	2.5
229.01772	3.7
269.10318	12.2
310.03610	6.6
372.31577	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	7.4
59.01386	100.0
61.23573	4.0
69.11992	21.9
69.23894	4.7
79.12425	4.8
98.21857	6.7
109.02906	5.8
121.86922	4.2
133.02956	7.1
135.04517	17.5
149.83260	4.7
161.02460	26.7
162.02809	6.9
192.95740	5.9
219.15401	4.7
253.38147	4.4
291.18130	6.2
329.86780	4.5
351.21933	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	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01731	1.2
71.01397	1.0
72.99319	3.0
85.02963	0.7
101.02431	1.0
101.06084	5.7
109.02969	0.8
117.03485	1.0
119.05063	1.5
123.04541	1.2
133.03004	3.6
134.03799	1.3
135.04547	17.9
135.05508	1.3
136.04869	1.9
137.60423	0.8
145.03011	3.1
161.02454	14.6
161.03712	1.0
162.02795	1.1
179.03566	2.6
181.05185	0.8
197.04492	3.7
227.07072	0.9
281.04706	0.8
291.15021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01728	1.2
65.61730	1.0
68.99813	1.8
71.01022	2.1
71.01390	30.6
73.02950	3.0
83.01403	2.5
85.02962	8.0
87.00904	2.5
89.02453	27.8
93.03468	4.2
95.01390	3.2
96.99337	1.1
99.00908	1.7
101.02461	23.2
105.03465	1.3
109.02975	1.4
111.91837	1.3
112.32404	1.0
113.02457	15.2
116.92876	3.8
116.99638	1.1
117.87484	1.1
119.03517	13.9
123.04537	3.7
131.03529	1.9
131.07152	1.7
132.18469	1.0
133.02985	7.3
134.03761	3.6
135.04507	3.1
149.02429	1.2
150.03186	1.6
161.04602	4.8
167.06053	1.4
171.10297	4.7
173.04613	11.2
175.02640	2.0
177.01967	2.4
179.05605	2.4
189.11378	3.1
192.95879	1.7
193.05107	1.7
219.06581	1.1
264.06534	1.5
291.14636	2.0
293.12604	1.8
333.15582	1.6
351.07245	6.0
351.12631	2.4
351.16626	47.7
352.16953	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	351.2545
Annotation	(-)-Ebelactone B
Peak:m/z	Relative Intensity
59.01382	12.5
61.98840	16.8
69.70520	28.1
71.01390	11.7
72.02187	15.6
73.02960	8.8
75.21645	7.2
82.15280	8.8
86.62263	8.8
87.04536	66.9
92.92821	8.4
94.36619	8.7
96.96016	28.8
116.92898	24.7
157.68997	8.0
263.23868	28.6
289.25366	11.7
293.17816	33.0
307.26505	100.0
308.26733	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	352.1769
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
58.02980	2.5
59.01375	1.1
62.39741	0.5
72.00971	0.4
73.15845	0.5
81.03465	1.5
85.02980	0.5
95.05046	1.6
108.02171	0.6
109.06647	1.0
110.09775	1.3
123.04526	1.0
128.10843	10.6
130.08757	100.0
131.09132	3.3
135.04535	0.5
135.08209	1.8
151.11298	0.5
154.08759	2.7
172.09827	3.9
173.56023	0.5
177.09225	1.0
179.07062	0.5
181.08783	0.8
183.82825	0.4
185.02519	1.1
217.93010	0.5
219.87685	0.4
246.18681	1.6
290.17679	2.7
293.04721	0.9
308.18732	13.6
309.19092	1.4
334.16580	3.8
352.17697	30.6
353.06610	0.6
353.18027	3.3
367.01260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.9453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.48261	0.7
60.01746	0.8
64.21421	0.6
65.48840	0.6
67.77084	0.7
69.03517	0.8
71.01400	2.7
72.99325	5.0
73.02973	0.9
85.03003	0.9
87.39928	0.7
93.03491	1.6
98.99437	1.4
99.00898	2.4
101.00948	1.0
101.02474	0.7
111.00916	1.8
111.04505	0.9
116.56885	0.8
117.00455	6.0
125.00977	3.2
126.98930	1.8
127.22262	0.7
135.04555	3.3
141.00459	4.9
143.02003	3.8
152.28734	0.8
152.94368	0.8
153.00526	1.9
154.97594	2.8
156.97264	1.2
156.99092	29.0
157.03561	5.0
157.99486	1.0
159.01491	0.9
167.02011	1.7
168.99976	5.1
170.97922	2.4
171.01546	1.4
173.04633	3.7
179.03590	2.1
180.99953	1.7
191.05678	3.3
193.00005	1.5
194.95644	2.9
195.01587	2.4
196.99519	1.6
198.97446	2.3
211.00995	5.4
227.00528	1.8
236.98885	0.9
249.00903	1.4
255.00017	15.1
268.90839	0.9
353.00568	1.0
353.10980	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	353.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22808	0.7
55.01883	4.1
59.01382	1.7
60.42943	0.7
67.01904	1.2
69.03462	100.0
69.69306	0.7
69.69640	2.2
70.03783	1.6
72.99316	1.9
79.01918	2.8
80.96522	0.7
89.93669	0.6
91.01919	1.1
95.01447	0.9
97.02961	18.1
99.00888	24.4
108.02198	0.7
109.02962	0.9
123.04551	3.1
133.02982	3.3
135.04546	1.2
141.01970	6.1
152.01210	1.6
167.03545	4.1
177.02040	0.7
179.03215	0.7
185.00925	38.1
186.01225	1.5
191.05647	0.8
195.03004	1.0
200.41260	0.7
203.02043	1.2
281.04749	0.8
296.23883	0.8
309.04276	1.2
353.05383	7.5
353.08978	1.3
353.12509	1.0
371.95471	0.8
379.18741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89596	0.2
91.01882	0.3
93.03413	0.3
108.02198	1.1
109.02963	14.3
110.03271	0.4
117.03433	0.4
121.02917	0.6
123.04504	0.6
133.02930	1.0
134.03763	0.3
137.02466	3.4
145.02983	1.3
147.04478	0.7
149.02419	0.7
149.21793	0.2
157.02924	0.4
158.03786	1.9
160.01646	1.1
161.02457	10.4
162.02792	0.6
162.86586	0.3
163.04022	2.1
167.04950	0.2
171.04463	0.3
172.01610	0.5
173.02458	1.5
174.41187	0.3
175.04015	0.6
181.06586	0.3
184.01675	0.7
185.02446	2.8
186.03156	0.4
193.05014	0.8
193.06584	1.3
194.05582	0.2
195.04527	1.5
196.05264	0.7
197.05986	0.3
199.04031	0.4
200.01158	0.8
201.01955	1.9
202.02594	0.3
203.03488	1.3
204.05820	0.4
205.06650	0.4
207.04565	0.8
208.05307	1.4
209.06108	3.6
210.06755	1.0
211.03979	0.9
213.05524	0.5
216.04172	0.4
217.05057	4.3
219.04544	1.7
220.05318	1.4
221.06064	4.8
222.06743	0.7
223.03978	1.7
224.04826	2.8
225.05565	0.7
231.02846	1.4
232.05334	0.9
233.05954	0.7
235.04048	1.1
236.04741	1.2
237.05566	5.8
238.06375	1.5
239.03522	0.4
239.06767	0.2
243.02985	3.3
244.03410	0.5
247.03978	3.0
248.04799	6.2
249.05556	9.5
250.02737	0.5
250.06143	1.8
251.03528	8.9
252.04233	3.0
253.04944	0.6
260.04889	0.4
263.03510	1.7
263.06219	0.3
264.04254	1.8
265.05084	11.8
266.05811	13.2
267.03537	0.3
267.06204	1.1
275.03534	2.8
276.04294	10.6
277.05045	7.1
278.02377	0.4
278.05405	0.6
279.03009	6.0
279.06366	0.7
280.03732	5.1
281.04346	0.4
281.08170	1.7
283.06079	0.7
291.02914	0.7
292.03726	3.0
293.04581	46.8
294.05197	12.8
295.05804	1.1
297.07767	1.4
303.03043	1.5
304.03644	0.5
307.06082	1.7
308.03293	0.3
308.06830	0.5
309.07831	1.6
311.05313	0.4
319.02356	0.4
321.04065	12.7
322.04416	0.9
324.06406	0.3
325.07193	2.6
335.05655	5.0
336.06134	0.7
353.06686	100.0
354.07025	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	353.0668
Annotation	Aspertoxin
Peak:m/z	Relative Intensity
69.16196	1.7
108.02193	0.8
109.02969	8.1
116.79008	0.3
121.02975	0.5
123.04546	0.4
133.02982	0.7
137.02466	3.3
145.02977	1.5
147.04549	0.4
149.02446	0.6
158.03719	1.4
159.04350	0.3
160.01665	0.8
161.02467	11.6
162.02800	0.4
163.04016	2.4
165.05586	0.5
173.02437	1.1
174.03238	0.4
175.04175	0.4
184.01720	0.7
185.02487	2.5
186.02962	0.4
191.04958	0.4
193.05016	0.9
193.06598	1.0
195.04486	1.0
196.05177	0.5
197.06067	0.4
199.04114	0.4
201.01976	2.1
203.03470	0.4
207.04596	0.6
208.05286	0.9
209.06090	3.4
210.06749	0.9
211.04053	1.0
213.05614	0.4
217.05077	4.5
219.04541	1.4
220.05342	1.5
221.06119	3.7
222.06802	0.9
223.04007	1.6
224.04802	2.4
225.05421	0.4
232.05341	0.6
233.06287	0.4
235.04057	1.0
236.04692	0.7
237.05603	5.1
238.06303	1.4
239.03648	0.5
243.02936	3.2
247.04065	2.5
248.04805	5.1
249.05553	7.7
250.02782	0.4
250.06248	1.3
251.03540	7.7
252.04254	3.2
253.04822	0.7
263.03564	1.5
264.04318	2.1
265.05066	11.4
266.05838	10.9
267.06302	1.5
275.03607	2.0
276.04266	9.8
277.04987	6.2
278.05368	0.7
279.03015	6.3
279.06052	0.5
280.03781	4.0
281.04449	0.7
281.08173	1.3
283.06165	0.8
291.02994	0.5
292.03824	2.6
293.04587	41.9
294.05255	12.2
295.05872	1.1
297.07730	1.5
303.03073	1.6
307.06073	0.9
308.03378	0.4
308.06653	0.5
309.07706	1.5
311.05768	0.4
320.03589	0.3
321.04065	4.9
322.04276	0.6
324.06232	0.4
325.07281	2.3
335.05640	5.0
336.06183	0.5
353.06693	100.0
354.07034	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	353.0883
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
59.01385	5.4
61.80172	2.0
67.01895	7.0
67.24583	2.2
69.03432	2.0
70.23748	4.5
71.01383	5.4
72.99288	3.9
81.03474	2.2
85.02953	14.1
87.00883	2.4
93.03467	27.0
99.00870	10.5
109.02962	2.6
111.04530	9.3
117.01940	4.9
127.04095	3.5
129.01981	2.7
134.03766	5.1
135.04547	72.6
136.04854	3.7
137.02477	5.1
149.07074	2.1
152.91846	2.1
153.55162	2.1
155.03535	6.5
161.02444	4.4
173.04572	100.0
174.04900	4.8
179.03526	67.5
180.03882	3.1
191.05644	61.7
192.06035	3.4
241.90797	2.3
262.53558	2.4
270.91086	2.3
310.91010	3.0
352.92282	2.7
353.08813	11.4
353.12460	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40766	1.4
61.98829	1.8
69.41968	5.5
69.42390	2.9
75.60828	1.7
77.30398	1.4
87.62921	1.4
99.03987	1.4
119.01401	11.8
130.38129	1.6
131.10764	1.4
163.70567	1.8
170.50514	1.5
194.95612	2.9
205.06656	2.1
211.03999	1.7
220.05289	2.7
221.06116	3.7
223.07793	2.7
233.06102	2.2
248.04816	4.0
249.05533	5.6
250.06201	2.3
251.07054	3.0
264.04166	1.6
265.04993	6.3
266.02179	2.2
266.05807	8.5
267.06607	14.9
276.04324	2.0
277.05322	2.4
281.08240	9.4
282.08609	1.6
283.00647	1.8
294.05292	3.3
295.06158	19.5
305.47885	1.7
309.07745	7.1
310.08496	24.5
311.08542	2.3
321.07892	3.3
323.05466	8.0
337.07275	6.1
338.08017	75.7
339.08362	6.6
344.43796	1.6
353.10339	100.0
354.10696	13.2
365.85425	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01820	4.8
56.13211	4.2
59.01388	100.0
71.01367	4.2
71.43781	5.9
73.86434	4.7
87.04527	19.8
93.03460	6.8
101.06100	7.1
135.04527	14.6
145.78438	4.6
152.91740	9.4
173.04541	17.1
179.03470	6.9
191.05571	8.8
194.92905	10.4
194.95586	16.1
237.05548	5.8
249.10011	4.8
268.90497	4.6
310.90768	5.9
352.91772	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	353.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84131	4.6
53.13765	4.1
59.87453	4.5
61.98822	8.5
70.56448	10.9
85.83845	4.2
98.22612	5.2
101.91328	4.5
148.35715	4.0
155.82841	4.5
163.55136	4.2
170.68361	5.7
285.18759	22.5
297.18463	9.5
315.19650	100.0
316.19894	14.6
317.20337	8.9
334.94705	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	353.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71972	1.4
56.70753	1.4
59.01385	3.6
68.93527	1.9
69.03471	2.3
73.02953	1.9
76.95060	1.8
84.00781	1.5
96.96038	2.4
97.06609	1.9
111.07474	3.4
111.08170	30.3
127.07707	3.1
151.11263	1.9
153.12819	1.8
165.12808	2.1
169.12372	5.8
181.12387	5.4
183.13921	1.7
193.12379	1.7
197.11848	93.5
198.12192	5.5
199.13417	3.5
211.13403	24.8
227.12877	1.8
263.20169	4.5
265.18179	2.3
291.19696	24.5
292.19962	2.4
299.62100	1.9
309.20737	100.0
310.17862	2.1
310.20963	11.5
353.19711	29.3
353.23978	1.8
354.19989	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	353.2124
Annotation	Guayulin B
Peak:m/z	Relative Intensity
57.26789	0.3
62.04690	0.3
65.01502	0.3
69.49928	1.2
79.95742	0.6
96.96019	5.3
108.30002	0.4
131.06631	0.3
150.03236	1.8
163.11302	100.0
164.11633	5.8
177.09224	73.1
178.09583	4.7
189.95683	0.3
190.04385	0.3
190.10046	0.4
223.61212	0.3
232.67424	0.4
245.83949	0.3
353.21237	94.6
354.21591	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	354.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00100	8.1
56.30313	6.9
59.01389	77.4
71.01392	29.3
89.02452	22.3
98.21796	19.2
101.02468	11.0
106.89812	8.0
109.02951	13.7
127.75552	7.8
132.02176	14.6
133.02966	48.4
134.03763	100.0
135.04543	18.8
146.37256	7.3
148.05287	9.9
149.02409	9.0
149.06128	19.3
150.03281	17.3
151.04041	13.4
160.01694	64.7
161.02454	16.3
175.04031	82.7
176.04861	44.9
177.01923	11.4
178.02684	16.6
189.48209	8.8
191.07195	29.8
191.98749	11.6
192.99571	22.1
193.05074	96.0
205.04665	9.0
212.56923	8.3
235.06134	74.0
240.10533	8.8
265.07162	37.8
267.06552	19.4
295.08215	84.9
311.05786	17.0
315.03918	9.7
354.09637	10.6
355.04800	23.7
355.10538	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	355.0462
Annotation	Xerocomic acid
Peak:m/z	Relative Intensity
59.01371	7.0
69.03730	3.1
70.37881	4.1
70.38219	5.0
77.04027	3.5
100.02495	3.3
109.02956	3.9
111.57938	2.7
119.05031	17.5
133.02965	4.7
134.03725	9.5
134.04663	4.5
160.01680	10.7
163.04007	29.8
175.03986	19.9
193.05077	16.0
193.06761	5.5
199.04095	10.0
202.02809	3.1
209.06619	12.7
211.04083	17.3
221.06195	3.5
224.04820	6.7
225.05658	7.1
227.03514	71.6
228.04286	31.1
237.05560	8.7
238.06316	4.3
239.03577	7.1
239.07178	8.1
240.04320	26.7
249.05594	6.9
253.05057	10.6
254.05823	7.8
255.06833	3.6
265.04941	7.8
266.05743	7.1
267.06680	30.5
283.06052	6.6
311.05640	100.0
312.05896	10.1
355.04559	12.5
356.05240	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	355.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.0
69.03730	3.1
70.37881	4.1
70.38219	5.0
77.04027	3.5
100.02495	3.3
109.02956	3.9
111.57938	2.7
119.05031	17.5
133.02965	4.7
134.03725	9.5
134.04663	4.5
160.01680	10.7
163.04007	29.8
175.03986	19.9
193.05077	16.0
193.06761	5.5
199.04095	10.0
202.02809	3.1
209.06619	12.7
211.04083	17.3
221.06195	3.5
224.04820	6.7
225.05658	7.1
227.03514	71.6
228.04286	31.1
237.05560	8.7
238.06316	4.3
239.03577	7.1
239.07178	8.1
240.04320	26.7
249.05594	6.9
253.05057	10.6
254.05823	7.8
255.06833	3.6
265.04941	7.8
266.05743	7.1
267.06680	30.5
283.06052	6.6
311.05640	100.0
312.05896	10.1
355.04559	12.5
356.05240	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	355.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18633	1.4
58.88670	1.2
59.01388	4.0
59.81796	1.3
70.72674	2.3
71.01418	1.3
72.99334	1.7
85.02976	3.6
85.27834	1.4
85.28444	1.3
87.00884	4.7
99.00861	2.7
109.02921	2.2
119.05028	5.9
121.02960	1.7
133.03003	4.3
134.03758	100.0
135.04613	2.9
137.02443	2.3
149.02473	2.8
149.06090	22.5
150.06372	1.5
151.04132	1.6
156.21150	1.4
161.00934	1.9
161.02448	1.8
163.04037	6.4
167.05022	2.2
169.06610	3.5
175.03915	3.0
178.02745	21.2
182.03558	1.3
183.04529	15.9
183.08168	2.1
184.04956	1.6
185.06091	4.0
193.05084	96.7
193.06577	4.4
194.05455	4.4
195.04570	5.1
196.05307	19.8
197.06108	20.2
198.03433	1.8
198.06477	1.5
199.04063	9.9
207.04515	2.1
208.05283	2.2
209.06140	11.8
210.06836	4.7
211.04044	32.3
211.07620	23.2
212.04781	9.9
212.07957	2.7
213.05565	10.1
215.03516	2.5
219.04482	1.6
220.05417	1.9
221.06059	8.5
222.06903	4.3
223.03996	4.6
223.07745	1.5
224.04831	24.4
225.05550	17.1
227.03577	6.6
237.05585	9.5
238.06419	12.0
239.03519	48.3
239.07173	27.1
240.04253	21.9
240.06709	2.2
240.07536	1.9
241.05087	37.1
242.02281	9.8
242.05313	2.5
243.03024	10.2
248.04811	4.3
249.05573	23.1
250.02766	1.9
250.06322	6.4
251.03537	5.4
252.04228	2.2
253.05095	11.3
253.45251	1.7
254.05833	2.1
255.06700	11.8
264.04221	2.1
265.05045	9.7
266.05734	4.2
267.03027	36.1
267.06628	62.3
268.03537	5.0
268.07053	6.2
269.04523	9.7
282.05362	1.8
283.02805	2.0
283.06073	8.1
285.04086	14.1
285.07431	3.2
292.73621	1.8
293.04599	36.0
294.04874	1.7
295.02591	2.0
299.05707	9.3
311.05646	84.0
312.05933	8.2
350.34988	1.6
355.04626	37.2
356.05054	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	355.0828
Annotation	G(8-O-4)Esculetin
Peak:m/z	Relative Intensity
61.31298	1.7
61.31716	1.5
67.86371	1.5
69.58851	1.4
70.32274	2.4
70.32612	1.4
93.03397	1.8
99.32666	1.5
103.79478	1.4
109.02982	4.7
118.04282	3.1
119.05034	21.5
121.02972	86.9
122.03276	3.2
133.02974	4.2
137.02457	5.5
145.03003	2.1
149.02429	4.9
159.04446	2.3
161.02501	7.2
163.04018	11.3
181.06662	4.5
190.12569	1.4
225.05545	2.0
267.06458	2.0
283.06024	3.0
293.04422	1.9
311.05927	3.8
311.09262	100.0
312.09723	10.1
355.04660	4.2
355.08322	39.1
355.12424	3.5
356.08597	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	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15430	0.4
59.01384	10.9
70.75839	0.7
71.01394	4.8
85.02932	1.0
88.37140	0.4
89.02447	3.7
95.01389	0.5
101.02467	1.8
113.02459	1.5
117.66995	0.4
119.03522	1.1
119.05058	0.8
132.02180	14.6
134.03755	10.5
147.04601	0.8
149.06105	2.2
160.01677	66.2
161.01990	3.1
163.03993	0.6
167.66101	0.5
174.03242	0.5
175.04024	100.0
176.04393	5.5
178.02771	1.1
191.07196	2.8
193.05078	17.7
194.05457	1.1
202.02708	0.9
217.05063	5.4
235.06122	3.4
265.07278	0.6
295.08228	1.5
311.05673	1.2
323.43521	0.4
355.04675	1.1
355.10349	4.3
372.53558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.1
70.20216	1.0
71.01392	4.3
71.83849	0.5
85.02953	1.3
89.02457	3.5
98.22605	0.5
101.02461	1.7
110.09926	0.5
113.02457	1.9
119.03544	0.9
119.40658	0.4
132.02194	16.0
133.02605	0.5
134.03773	10.3
137.02469	0.5
147.04555	0.9
149.06084	2.7
160.01685	66.6
161.02043	3.5
163.71782	0.5
175.04033	100.0
176.04393	6.0
178.02679	1.1
191.07169	1.7
193.05086	17.2
194.05438	0.6
202.02817	1.1
207.06645	1.2
217.05052	5.4
235.06079	2.4
265.07208	0.9
295.08215	1.7
311.05768	0.8
355.04581	0.6
355.10388	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97245	0.4
59.01084	0.6
59.01382	11.3
63.36853	0.4
68.22679	0.4
70.69344	0.9
71.01387	5.1
71.01747	0.6
85.02975	1.3
89.02467	3.9
101.02456	1.7
107.73519	0.4
113.02452	2.0
117.03519	0.6
132.02188	16.0
133.02509	0.8
134.03748	10.6
140.11711	0.5
146.85414	0.4
147.04555	0.7
148.05176	0.6
149.06073	1.7
160.01671	74.6
161.02003	5.0
173.24136	0.5
174.03261	0.5
175.04013	100.0
176.04390	6.1
191.07173	2.3
193.05070	14.1
194.05400	0.5
202.02701	1.1
207.06708	0.7
217.05089	4.8
223.44389	0.4
235.06166	2.1
292.14572	0.4
295.08224	1.3
355.10257	2.9
365.55188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
57.03447	12.3
58.16499	2.5
59.01386	44.1
59.39913	2.4
67.96304	2.4
69.03445	5.1
69.93461	8.3
69.93806	2.6
71.01384	26.5
72.99318	4.7
73.02978	3.2
83.01401	4.6
85.02956	35.7
87.00874	10.4
89.02448	11.0
93.03432	3.3
95.01412	2.6
97.02959	7.1
98.22017	4.4
99.00886	10.8
101.02465	7.8
111.00875	4.0
113.02451	9.3
115.04035	6.9
117.03477	2.3
118.26562	2.4
119.03599	2.2
119.05035	57.6
122.03343	2.8
122.07745	2.3
129.01942	25.7
132.02182	10.5
133.02966	10.7
134.03760	73.5
135.04500	5.3
137.02455	7.3
141.01941	7.0
145.03020	5.3
147.04527	10.0
148.05307	4.3
149.06081	14.5
150.01933	2.2
150.65569	2.7
159.03000	5.7
160.01683	53.6
161.02481	11.7
163.04022	69.0
164.04372	2.9
175.04030	65.3
176.04828	24.2
177.01930	5.0
178.02704	10.8
191.05592	12.2
191.07167	29.2
192.07487	3.8
193.05084	83.0
194.05443	3.0
207.06604	9.2
209.06691	100.0
210.06981	3.7
217.05020	5.6
220.03780	5.9
235.06133	59.5
236.06516	5.3
253.67984	2.4
265.07220	28.2
295.08276	59.4
296.08578	4.8
334.28442	2.8
355.10406	29.2
356.10724	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75363	1.2
55.21569	1.3
59.01383	39.9
59.15234	1.2
69.40530	5.9
69.43484	1.2
70.91263	1.4
71.01391	14.1
85.02965	5.1
85.29218	1.1
89.02466	8.0
95.01453	1.5
98.22622	2.3
101.02457	7.2
109.02978	2.0
113.02469	3.6
119.03542	1.8
132.02185	16.7
132.11563	1.1
133.02924	3.8
134.03757	57.2
135.04103	1.3
147.04593	6.4
148.05319	4.9
149.06097	12.2
160.01674	74.3
161.02013	4.9
174.03166	1.4
175.04022	100.0
176.04741	16.9
177.01897	2.0
178.02753	6.6
191.07158	19.8
193.05077	64.2
194.05412	3.3
202.02756	3.0
207.06674	6.1
217.05156	6.4
219.40131	1.2
220.03819	3.0
227.03587	1.7
235.06126	43.3
235.08514	2.2
236.06441	3.6
265.07202	20.8
266.07275	1.9
291.63654	1.3
295.08249	42.8
296.08618	4.3
311.05640	2.5
329.07239	1.2
355.10373	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	355.1191
Annotation	Afzeliixanthone B
Peak:m/z	Relative Intensity
60.32587	1.0
61.83108	0.8
62.82933	0.8
65.45679	0.8
69.02819	0.9
95.64343	0.8
98.22710	2.0
109.02969	1.5
121.02988	0.9
133.02991	2.9
137.02486	3.6
143.11142	0.9
149.02460	3.2
161.02521	6.4
163.60690	0.8
173.02383	1.1
196.05466	1.3
222.06828	1.7
224.04858	3.3
225.05556	1.4
231.02975	1.4
237.05812	0.9
238.06416	2.3
239.07080	2.2
241.08897	1.3
249.05367	1.0
252.04372	1.1
253.04889	1.2
253.08760	1.3
266.05902	1.7
267.06635	2.0
268.07281	1.5
269.05267	1.8
269.08209	38.8
270.08606	3.0
280.03772	2.8
281.05191	1.5
281.08255	4.0
283.06104	1.2
284.10580	3.0
293.04639	1.9
294.05182	1.1
295.06024	1.7
296.06915	2.9
297.04312	1.6
297.07727	33.7
298.08105	4.7
311.05838	1.1
312.09943	6.5
325.07202	28.2
326.07559	2.2
340.09546	93.6
341.09863	10.9
355.04611	3.4
355.11899	100.0
356.12265	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	355.2283
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
54.59620	0.9
60.00735	1.0
86.09605	1.0
86.97938	0.8
88.45872	0.8
96.85767	0.8
100.97345	0.8
107.05081	1.1
109.02985	1.8
119.79095	0.9
122.03758	10.9
133.03029	1.5
135.04536	25.5
137.02466	2.5
143.30750	1.0
147.08154	3.9
149.02472	2.9
149.06110	1.3
149.09715	6.6
151.07741	1.1
154.02734	1.3
161.02457	4.0
161.09740	7.2
163.07689	2.7
163.11296	48.6
164.08420	14.1
164.11566	2.3
165.09155	3.6
174.03200	0.9
177.09227	59.9
178.10007	19.8
179.10789	100.0
180.11157	6.0
187.11375	1.5
191.10785	12.5
193.08728	3.7
196.90485	0.9
265.12402	1.3
279.13837	1.6
280.14554	2.6
298.15768	44.2
299.16049	5.4
307.17114	1.8
309.22363	1.6
317.56775	1.1
322.19449	1.4
337.21753	41.4
338.22122	6.5
340.20447	71.6
341.20828	9.9
355.04660	2.6
355.22824	81.2
356.23160	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	355.2284
Annotation	Dshamirone
Peak:m/z	Relative Intensity
50.14974	0.7
61.98812	0.9
66.65405	0.9
69.67325	3.6
96.04201	0.9
96.85251	0.9
104.02756	1.0
109.02977	1.5
111.75371	0.9
129.11644	0.8
132.45134	1.0
133.02965	2.6
133.10280	4.0
137.02454	1.6
149.02464	2.8
149.09607	1.1
161.02483	3.8
161.09686	1.3
163.11313	93.0
164.11655	3.3
179.10802	77.1
180.11183	4.2
183.01247	1.3
221.66194	0.9
269.11945	1.5
297.11414	5.6
297.14752	6.1
337.21777	5.2
355.04730	1.4
355.22830	100.0
356.23190	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	355.2283
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
61.98838	1.9
62.41159	1.0
67.44298	1.0
86.86544	1.1
99.06197	1.2
99.12682	1.0
147.08115	1.8
154.43275	1.0
163.11325	3.8
187.11221	1.4
280.14572	5.1
281.15311	1.1
297.15210	1.3
307.16940	1.9
321.18729	1.3
322.19290	2.2
337.21765	100.0
338.22119	13.5
355.04773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
61.72477	0.6
61.98853	0.9
64.18081	0.6
69.70953	0.5
70.78754	0.6
73.02955	100.0
74.03299	1.2
76.83189	0.5
99.04534	15.1
109.02988	2.0
116.07418	0.6
117.05593	69.7
118.05953	2.3
133.02998	1.5
137.02472	2.6
149.02428	2.9
161.02455	4.6
174.03218	0.9
181.28976	0.6
189.01933	1.0
201.01991	0.7
222.72682	0.7
237.18660	7.9
239.06908	0.7
241.52124	0.6
243.00607	0.6
255.19705	28.5
256.20108	2.3
265.04962	0.9
283.06140	1.4
311.22333	23.0
312.22739	2.2
337.23828	11.1
338.24271	1.6
355.04663	2.3
355.24945	12.9
355.29016	1.1
356.25293	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25302	2.6
61.98846	22.4
66.19181	2.7
69.10872	17.1
89.03983	2.7
105.03484	11.1
109.02975	12.5
121.02973	8.1
125.02477	12.8
133.02960	11.6
134.03737	3.7
135.04544	45.2
137.02441	14.8
148.01663	2.7
149.02432	8.3
151.03979	9.6
159.04536	4.6
161.02467	23.0
162.02901	2.6
163.03996	7.1
177.01982	10.5
179.03546	13.4
190.02711	2.9
191.03555	8.2
219.03024	14.6
231.03008	25.2
279.16586	2.7
356.05035	3.4
357.06177	100.0
379.06827	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	357.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47798	0.5
51.48068	0.5
59.01378	3.6
69.38137	1.1
69.38549	2.1
81.03458	0.8
98.22573	0.9
100.98800	0.6
107.05059	0.7
108.02159	3.8
109.02962	100.0
110.03290	2.9
114.99306	0.5
115.05517	1.0
119.05050	1.9
121.02969	0.7
122.82513	0.6
123.04536	3.3
129.03474	1.8
130.04259	0.9
130.29410	0.5
131.05061	2.7
133.02968	8.0
133.68518	0.7
134.03746	0.9
135.04539	12.5
136.05292	2.3
145.02982	3.0
146.03732	2.0
147.04546	9.2
151.03972	2.9
153.02051	0.7
158.03705	2.1
159.04535	28.2
160.05022	1.4
161.02464	7.0
161.06100	0.6
162.02921	0.6
163.04019	1.2
173.02383	0.8
175.04004	6.3
177.01897	0.7
179.03545	4.3
185.06148	0.7
191.03542	0.9
195.06638	18.0
196.06929	1.1
198.06767	1.4
199.07649	1.4
203.03516	21.2
204.03876	1.6
213.09430	0.7
222.07004	0.6
223.07635	1.3
225.05539	1.1
237.05553	3.1
239.07181	0.9
241.08730	0.8
247.02484	1.8
250.06372	0.7
251.07127	2.0
252.08006	0.9
253.05043	1.9
254.05812	5.3
255.06705	3.5
256.06964	0.7
266.05899	1.0
267.06662	3.9
268.07367	1.3
269.08212	44.0
270.08533	4.7
295.06186	3.1
313.07220	18.5
314.07562	2.8
357.06180	9.4
358.06540	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.062
Annotation	Epiphyllic acid
Peak:m/z	Relative Intensity
51.23727	1.0
70.95532	1.2
81.03482	1.0
82.26118	0.9
108.02205	3.0
109.02965	100.0
110.03313	3.0
119.05063	1.2
123.04551	3.2
129.03537	1.0
131.05054	1.9
133.02957	6.4
134.03758	1.0
135.04527	10.4
136.07021	0.8
145.02998	2.6
146.03745	1.3
147.04530	8.6
151.04001	1.1
158.03745	1.3
159.04532	27.0
160.05011	1.6
161.02498	3.6
163.04036	1.3
175.03979	6.8
176.69208	0.9
179.03557	2.8
180.93608	0.9
191.03488	1.3
198.06851	1.3
199.07678	1.6
203.03522	19.2
204.03825	1.1
225.05583	1.0
237.05611	2.9
239.07188	1.0
241.08670	1.0
247.02528	1.8
251.07184	2.9
252.07732	1.0
253.05252	1.1
254.05885	4.9
255.06616	1.5
267.06659	2.5
269.08215	41.2
270.08588	3.0
293.27039	0.9
295.06036	1.5
313.07202	18.0
314.07703	1.3
357.06247	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	357.096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60653	1.2
59.01385	100.0
66.68497	1.1
69.45110	1.2
69.51862	5.7
71.01380	11.1
71.29528	1.1
72.99314	3.6
73.02945	15.8
74.02475	1.5
75.00867	2.5
83.01384	4.8
85.02950	3.3
89.02454	3.1
93.03453	1.6
98.02472	1.5
101.02436	10.2
108.02168	2.1
109.02962	46.9
113.02451	5.7
119.03542	2.1
119.04949	1.3
121.02932	1.5
123.04528	11.8
133.02968	7.7
134.03723	3.3
135.04535	47.0
136.05147	1.8
137.02464	3.4
139.48663	1.3
145.02937	2.4
146.03728	1.2
147.04527	5.5
149.02434	1.7
151.03996	3.6
153.01962	4.4
153.05586	6.2
159.04506	12.8
161.02463	11.0
162.02998	1.5
163.04001	2.6
163.32921	1.2
175.04007	4.5
177.01921	1.5
177.05489	1.4
179.03580	6.0
180.04382	1.3
184.33955	1.1
191.03491	1.8
195.06636	19.6
197.04579	2.7
197.23595	1.3
200.76411	1.3
203.03494	11.4
237.05907	2.7
237.78238	1.2
241.04965	1.3
247.02422	1.3
254.05965	2.5
255.06648	1.7
267.06427	2.4
268.07095	1.4
269.08243	14.5
269.10986	2.3
270.08578	2.8
295.06152	4.8
297.09750	6.2
313.07083	9.2
315.10944	16.2
339.04892	2.3
357.05945	6.8
357.11618	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	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
54.23316	0.5
59.01385	19.6
68.78019	0.5
69.28054	2.4
71.01391	1.2
72.99299	0.7
90.05251	0.5
93.03458	0.7
98.22659	1.1
108.02169	3.2
109.02975	11.1
119.05000	2.9
121.02982	2.6
122.03784	0.7
123.04536	4.5
133.02934	2.4
134.03737	1.4
135.04541	18.0
136.05319	18.1
137.05630	0.7
139.04080	0.7
145.02975	0.9
147.04518	1.2
149.02409	1.3
150.03194	0.5
151.03987	3.7
151.07643	2.3
153.01952	1.2
157.03053	0.6
159.04536	3.5
161.02467	3.4
162.03232	1.3
163.04102	1.5
175.03992	1.3
177.05562	1.5
179.03534	2.0
189.01901	0.7
195.06641	100.0
196.06984	5.7
198.06807	0.5
201.43231	0.6
203.03546	2.0
207.02985	0.7
221.04523	0.7
241.08774	1.3
251.07172	0.7
254.88744	0.5
267.06656	0.6
269.08246	4.5
270.08432	0.6
295.05997	0.9
313.07175	2.1
357.06171	2.3
357.12094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19274	0.6
70.62982	1.4
72.99321	1.7
73.62895	0.7
75.52656	0.7
76.83246	0.7
105.03447	0.8
105.85026	0.8
109.02936	1.1
121.02924	1.1
133.02975	1.0
135.04541	4.3
161.02423	0.7
172.05312	11.4
173.05730	0.8
179.03528	1.6
197.04524	1.5
197.06148	1.3
197.09750	8.5
198.10500	13.9
199.04027	2.3
201.05585	2.8
211.35260	0.7
211.76198	0.8
219.03017	0.9
224.08528	0.8
225.05891	12.5
225.09222	100.0
225.12848	4.5
226.05919	1.1
226.09555	8.2
231.02914	0.8
238.06346	1.0
238.09941	0.7
239.10620	0.8
239.14769	0.7
241.08733	1.2
242.09491	6.0
251.10724	1.0
253.12383	6.3
254.12704	1.4
257.08243	4.1
257.11844	10.5
263.10718	1.2
265.08719	2.4
265.12390	1.7
269.15530	2.5
274.08353	1.5
279.10110	1.5
280.10925	1.1
281.11877	33.8
282.12265	3.3
293.04715	0.8
297.11591	0.8
298.12143	12.2
299.12881	23.4
300.13156	3.4
313.14465	1.6
321.03891	1.1
329.36212	0.7
357.06393	4.4
357.13391	16.0
358.13748	2.6
371.72360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1349
Annotation	Saururin A
Peak:m/z	Relative Intensity
70.63112	0.6
72.99306	2.5
93.13751	0.4
98.91186	0.4
100.95892	0.4
101.23178	0.4
105.03487	0.9
109.02959	1.5
109.80418	0.4
121.02993	1.3
123.04522	1.3
125.02479	1.0
133.02986	1.3
134.03662	0.7
135.04535	5.7
137.02438	0.8
138.74345	0.4
151.04002	0.5
161.02454	1.6
163.04039	0.4
179.02054	0.5
179.03476	2.4
185.02544	0.8
191.03461	0.6
197.04584	1.5
211.07675	0.6
219.03047	0.9
221.06030	0.5
225.09163	3.1
226.09904	0.5
231.02971	1.9
237.09352	0.8
239.10791	8.4
240.11530	1.8
241.08821	1.0
251.06905	0.5
251.10861	3.3
252.07933	1.4
252.11432	0.7
253.08713	1.2
255.10341	0.6
265.08679	1.0
266.09302	0.9
267.10193	2.2
268.11023	1.1
269.08185	2.3
269.11826	1.4
270.08624	0.5
270.12540	0.4
271.09702	0.9
279.02866	0.5
279.10309	1.9
280.10709	0.5
283.09790	2.2
284.10629	3.0
284.13458	0.6
285.10840	0.5
295.09805	1.3
296.10522	1.4
297.11359	1.1
298.11819	0.8
299.09341	2.2
299.12875	21.9
300.09995	1.6
300.13321	2.8
307.09851	1.3
311.09592	0.9
311.12949	5.2
312.10059	1.2
312.13455	0.6
314.11877	0.6
321.04034	1.7
324.10120	0.7
325.10797	0.6
326.11438	0.6
327.12393	27.2
328.12805	2.7
329.14005	8.5
330.14279	1.1
339.05536	0.7
339.12442	6.9
340.12793	0.9
357.06180	7.2
357.13464	100.0
358.06750	0.9
358.13821	13.1
371.14767	0.6
374.25662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	CHEBI:70490
Peak:m/z	Relative Intensity
55.33889	0.5
55.54681	0.5
60.07438	0.6
61.98824	0.6
69.77297	1.9
70.36168	0.7
72.99313	2.2
74.31113	0.5
88.66348	0.5
89.04008	0.5
98.22022	1.0
105.03487	1.1
109.02953	1.1
121.03031	1.5
123.04530	1.7
125.02490	1.7
133.02994	1.8
134.03712	1.2
135.04543	7.1
137.02487	1.4
149.02396	0.7
151.03984	0.9
161.02477	1.9
163.04015	0.9
174.04109	0.6
174.18452	0.5
177.01941	1.0
179.03558	3.1
185.02454	0.9
191.03482	0.7
192.95854	1.9
197.04576	1.9
211.07756	0.9
212.08304	0.7
219.02972	1.9
227.10828	5.7
231.03023	2.6
237.09302	2.0
238.10007	1.5
239.07283	0.8
253.08694	4.4
253.12370	5.4
254.09651	2.9
254.12325	0.7
255.10225	4.5
269.11859	39.0
270.09192	1.2
270.12225	5.1
281.08249	1.8
281.11859	7.0
282.08972	1.9
283.09717	2.0
295.06250	1.0
297.11349	100.0
298.12006	33.3
299.12418	2.9
321.04117	2.4
325.10944	0.9
339.05167	0.9
357.06747	10.9
357.13458	72.0
358.06940	1.3
358.13809	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	357.1712
Annotation	Antibiotic DT 136B
Peak:m/z	Relative Intensity
58.75709	0.4
69.80858	1.2
69.81206	0.9
72.99321	1.5
84.50581	0.4
105.03442	0.6
109.02978	0.7
109.28439	0.5
121.02985	0.9
123.04561	0.8
125.02473	0.9
133.02975	0.9
135.04535	3.5
137.02440	1.2
161.02484	0.9
163.04070	0.5
179.03537	2.1
191.03429	0.5
197.04568	1.6
219.02902	0.6
230.09596	0.5
240.07954	1.1
241.08752	0.8
255.10323	1.4
256.11026	1.4
267.10373	1.0
268.10840	0.8
269.12115	0.5
269.45621	0.5
282.08923	1.0
282.12579	0.7
283.13373	15.7
284.13770	1.8
310.11935	0.7
312.10046	1.0
314.11588	0.8
321.04175	1.5
325.14331	0.6
327.12482	3.1
341.13956	7.1
342.14731	83.1
343.15085	10.9
357.06778	3.7
357.17093	100.0
358.17435	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	357.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.19318	0.9
71.01388	7.4
73.02955	2.8
83.01394	1.0
85.02962	3.4
89.02439	1.1
98.21811	2.0
101.02444	3.4
102.51711	0.8
105.03467	1.3
109.02975	4.7
113.02429	2.0
125.02454	1.8
133.02969	2.1
134.03772	1.2
135.04568	5.8
137.02411	1.2
149.02501	1.2
151.04025	1.6
152.49571	0.9
161.02461	2.5
161.04593	4.5
179.03470	2.0
181.49144	0.9
219.03111	1.6
231.02968	2.1
269.08243	1.3
315.18088	1.9
323.56750	0.9
357.06207	8.4
358.06219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.19318	0.9
71.01388	7.4
73.02955	2.8
83.01394	1.0
85.02962	3.4
89.02439	1.1
98.21811	2.0
101.02444	3.4
102.51711	0.8
105.03467	1.3
109.02975	4.7
113.02429	2.0
125.02454	1.8
133.02969	2.1
134.03772	1.2
135.04568	5.8
137.02411	1.2
149.02501	1.2
151.04025	1.6
152.49571	0.9
161.02461	2.5
161.04593	4.5
179.03470	2.0
181.49144	0.9
219.03111	1.6
231.02968	2.1
269.08243	1.3
315.18088	1.9
323.56750	0.9
357.06207	8.4
358.06219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.19318	0.9
71.01388	7.4
73.02955	2.8
83.01394	1.0
85.02962	3.4
89.02439	1.1
98.21811	2.0
101.02444	3.4
102.51711	0.8
105.03467	1.3
109.02975	4.7
113.02429	2.0
125.02454	1.8
133.02969	2.1
134.03772	1.2
135.04568	5.8
137.02411	1.2
149.02501	1.2
151.04025	1.6
152.49571	0.9
161.02461	2.5
161.04593	4.5
179.03470	2.0
181.49144	0.9
219.03111	1.6
231.02968	2.1
269.08243	1.3
315.18088	1.9
323.56750	0.9
357.06207	8.4
358.06219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11169	0.9
56.99954	1.0
61.98838	1.9
70.07182	2.3
70.60611	0.8
72.99317	22.4
75.42957	0.9
103.44463	0.9
109.03001	2.3
116.92873	2.3
121.71947	1.0
123.04546	12.8
132.02182	1.3
133.02977	23.2
133.03888	0.8
134.03780	2.2
135.04547	29.4
137.02472	0.9
148.38988	1.0
153.20595	0.8
161.02464	100.0
179.03519	17.9
179.04898	0.9
180.77008	1.0
185.02472	1.5
197.04568	24.5
198.04884	1.2
214.24562	0.9
279.02951	1.3
295.06226	1.4
299.20383	0.9
321.04102	6.1
322.04605	1.4
339.05249	2.8
358.06326	2.8
358.16766	1.1
359.07571	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	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	97.1
60.01716	1.2
69.55158	1.0
69.55542	0.8
74.88366	0.4
90.13746	0.4
118.60032	0.5
122.52235	0.5
122.90899	0.5
132.98232	2.0
144.49454	0.5
157.03558	2.6
159.01491	0.8
168.63557	0.5
174.99255	28.6
201.02574	25.4
201.04498	1.0
202.02733	2.6
217.00314	100.0
218.00633	3.1
273.01855	0.6
317.00650	1.0
359.01620	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	359.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01720	1.2
70.88613	0.4
71.01397	2.0
72.99318	5.0
78.95911	0.3
85.02964	0.5
89.02441	1.4
101.02452	0.8
107.05048	0.5
109.02954	0.6
113.02505	0.8
119.03515	0.3
121.02930	0.4
123.00889	1.4
123.04536	2.3
132.02216	0.4
132.98206	1.8
133.02982	6.3
134.03775	0.6
134.04715	0.4
135.04543	8.9
136.04855	0.4
137.02505	0.3
138.03247	2.0
141.00456	0.8
153.05588	1.4
157.03592	3.0
158.03635	0.3
159.01498	0.8
161.02463	24.6
162.02795	1.2
166.99886	0.5
174.99258	26.5
175.99602	0.6
178.97932	0.6
179.03513	4.2
180.03926	0.4
181.01465	0.3
182.02203	1.7
191.05603	0.5
197.04567	12.3
201.00914	1.3
201.02570	24.9
202.02661	2.5
211.06186	0.4
214.98787	0.5
217.00319	100.0
218.00639	3.5
228.13734	0.3
239.05566	1.6
298.99258	0.6
359.01541	3.4
359.10001	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	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40897	0.6
59.01385	100.0
60.01704	0.7
73.02962	0.6
78.95914	5.6
79.77034	0.5
107.03654	0.6
110.98544	4.2
113.04529	0.6
129.33192	0.4
132.98215	1.2
134.04744	19.1
151.92212	0.5
152.99631	0.7
157.03600	2.9
159.01500	1.3
161.02548	0.5
174.99261	28.4
175.99628	0.5
197.04591	0.5
201.02576	25.9
202.02745	2.4
215.04149	0.6
217.00319	95.6
218.00662	3.2
225.01727	0.7
232.98470	0.6
256.98505	0.7
274.99567	3.0
317.00717	2.8
318.00580	0.9
359.01645	8.9
359.09610	0.5
360.01871	2.3
360.07135	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	359.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16742	0.4
54.63493	0.4
60.75407	0.4
71.27142	0.4
71.82351	0.4
72.99317	20.5
104.92466	0.4
105.03478	0.6
107.05063	0.8
109.02946	0.6
117.03492	0.5
123.04550	10.3
132.02165	2.0
133.02972	27.7
134.03673	0.9
135.04541	22.4
136.04897	1.0
151.03976	0.8
161.02464	100.0
162.02794	4.8
179.03514	15.8
180.03911	0.9
183.13190	0.5
197.04572	24.3
198.04961	1.1
265.73489	0.5
289.46265	0.5
359.07602	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	359.0775
Annotation	rosmarinic acid
Peak:m/z	Relative Intensity
69.29983	2.1
69.30293	0.4
72.99316	20.1
105.03465	0.6
107.05016	0.3
117.78869	0.4
121.72141	0.4
123.04544	9.4
124.04847	0.6
132.02176	1.2
133.02979	23.9
134.03348	1.2
135.04541	21.8
136.04883	1.2
146.70213	0.3
151.04089	0.4
161.02463	100.0
162.02792	5.2
164.32309	0.4
167.77267	0.4
179.03505	13.9
180.03819	0.7
197.04570	23.7
198.04929	1.5
359.07733	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	359.0778
Annotation	rosmarinic acid
Peak:m/z	Relative Intensity
69.83505	1.0
70.81031	0.3
72.99316	19.1
81.65822	0.3
84.35013	0.4
84.44402	0.3
98.97451	0.3
107.05042	0.6
109.02964	0.7
123.04543	9.7
124.04833	0.5
132.02194	1.3
133.02972	24.2
134.03674	0.5
135.04541	19.7
136.04849	1.1
151.04120	0.4
161.02464	100.0
162.02809	4.2
164.60289	0.4
179.03523	15.0
180.03842	1.0
192.90100	0.4
197.04564	23.0
198.04939	1.0
202.02786	0.5
257.58347	0.3
258.01627	0.6
286.01038	1.9
286.70328	0.4
314.00681	0.5
321.03979	0.5
329.03058	2.3
344.05420	2.7
359.07864	3.7
359.14761	1.7
360.07990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64213	0.3
54.85530	0.3
61.79430	0.3
68.69541	0.3
69.24609	1.7
72.99316	18.7
89.03946	0.4
90.77982	0.3
98.21869	0.6
105.03429	0.6
107.05042	0.7
109.02945	0.5
123.04533	8.4
124.04873	0.8
129.53435	0.3
132.02216	0.9
133.02975	21.8
134.03284	0.7
135.04539	19.4
136.04884	1.3
151.04066	0.6
151.23965	0.4
161.02460	100.0
162.02800	4.9
179.03517	14.3
180.03864	0.4
197.04559	24.7
198.04901	0.9
222.95059	0.3
223.38893	0.4
252.92360	0.3
359.07724	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	359.0773
Annotation	rosmarinic acid
Peak:m/z	Relative Intensity
50.08561	0.1
59.46431	0.1
68.53522	0.1
68.91010	0.1
69.62914	0.2
69.63296	0.3
71.54258	0.1
72.99311	20.5
89.03965	0.2
93.03462	0.2
95.05011	0.2
105.03470	0.5
107.05051	0.6
109.02955	0.7
115.01942	0.2
117.03493	0.1
122.03748	0.2
123.04533	10.2
124.04862	0.4
132.02162	1.4
133.02966	30.5
134.03819	1.2
135.04535	24.5
136.04825	0.9
138.77203	0.1
151.04042	0.4
160.01602	0.2
160.57576	0.1
161.02455	100.0
162.01521	0.2
162.02803	3.2
179.03510	13.7
180.03860	0.6
197.04558	24.0
198.04861	0.7
223.02542	0.2
280.28613	0.1
284.83316	0.1
326.04779	0.1
359.03680	0.2
359.07764	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	359.0775
Annotation	rosmarinic acid
Peak:m/z	Relative Intensity
51.64796	0.3
72.99315	19.0
105.03433	0.4
107.05047	0.6
109.02911	0.5
123.04538	8.5
124.04871	0.3
132.02202	1.2
133.02969	20.7
134.03397	1.1
135.04544	17.8
136.04892	0.9
151.04012	0.4
161.02461	100.0
162.02817	5.1
162.75053	0.3
179.03513	12.6
180.03854	0.6
197.04567	25.5
198.04921	1.3
239.83221	0.3
244.93535	0.3
247.14682	0.3
291.19604	0.4
313.17850	0.6
359.07697	2.3
379.14288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0776
Annotation	Rosmarinate
Peak:m/z	Relative Intensity
54.26437	0.4
55.56110	0.5
69.15879	1.0
69.16284	1.7
72.99317	18.8
80.75313	0.4
95.05030	0.4
109.02995	0.5
123.04548	9.8
124.04897	0.7
132.02176	0.7
133.02979	22.5
134.03676	0.7
135.04549	20.1
136.04855	1.0
161.02464	100.0
162.02788	5.5
179.03520	14.9
180.03790	0.7
197.04575	26.2
198.04884	1.5
204.48941	0.5
275.74432	0.4
322.04416	0.6
359.07849	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	359.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99249	0.3
53.71000	0.3
56.91515	0.3
69.42258	1.2
69.42663	0.6
72.99318	17.7
106.83623	0.3
123.04536	8.0
124.04872	0.5
132.02194	0.9
133.02977	22.9
134.03337	0.6
135.04546	20.1
136.04874	1.0
151.04001	0.4
161.02461	100.0
162.02791	5.0
162.04018	0.6
179.03513	13.4
180.03886	1.0
197.04568	26.8
198.04874	1.7
359.07758	2.0
360.07892	0.4
375.00058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.8
59.01385	100.0
65.54825	1.2
70.94420	1.5
71.01389	38.1
72.99313	4.6
83.01401	1.7
85.02955	6.0
89.02456	35.2
93.69438	1.3
95.01392	3.2
101.02458	24.8
109.02940	2.1
113.02440	11.4
119.03516	22.9
120.57927	1.2
121.02979	11.3
123.00901	5.4
123.04555	2.2
133.02951	5.0
135.04517	4.0
137.02464	8.8
138.03242	7.2
139.00346	1.3
139.04027	3.7
143.03494	2.3
153.05589	13.8
161.02470	16.5
165.01996	2.1
166.99881	4.2
179.03514	3.1
179.05632	6.0
180.04332	1.7
181.01453	9.3
182.02225	12.7
183.02654	1.2
189.13373	1.4
195.06697	2.4
196.03781	8.9
197.04573	71.0
198.04881	3.7
211.06133	12.2
217.00449	1.7
224.03192	6.5
226.33519	1.3
239.05632	74.0
240.06055	6.7
269.06665	7.0
297.68405	1.3
299.07751	16.3
358.64151	1.6
359.09857	55.9
360.10309	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	359.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36935	1.0
58.00586	1.9
59.01387	92.7
60.01704	0.9
66.84608	0.9
66.97504	0.9
69.49284	4.4
71.01392	38.9
72.99322	1.9
73.02959	0.9
77.69945	0.9
79.77826	0.9
83.01391	1.9
84.67618	0.9
85.02962	9.0
87.00874	1.0
89.02456	33.1
95.01394	4.1
101.02462	19.2
109.02950	1.4
113.02464	16.7
119.03530	13.2
121.02960	8.1
123.00909	3.7
137.02481	7.0
138.03250	5.8
139.00412	1.1
139.04021	2.6
143.03488	1.1
153.05579	8.9
161.02451	3.9
161.04475	1.4
163.08427	1.2
165.01962	2.5
166.99881	1.8
180.04309	2.4
181.01512	6.8
182.02199	9.2
183.02983	1.7
195.06728	3.1
196.03786	7.7
197.04578	64.9
198.04951	3.1
211.06120	12.1
224.03302	3.5
225.04263	1.1
239.05635	40.0
240.05849	1.4
248.53360	1.2
269.06668	4.7
299.07755	9.1
344.07556	3.3
359.09872	100.0
360.10184	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	359.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
58.00596	2.2
59.01385	100.0
60.01715	1.1
69.17146	5.5
71.01388	38.5
72.99318	2.1
83.01381	2.5
85.02969	7.4
89.02454	32.5
95.01389	4.3
101.02455	18.4
113.02454	14.2
119.03525	12.5
121.02985	7.9
123.00883	4.4
125.02441	1.4
135.04536	1.6
137.02463	7.1
138.03275	5.6
139.00400	1.7
139.04010	2.3
153.05586	9.8
155.03412	1.7
161.02467	3.5
165.01965	2.0
166.99837	3.0
174.80788	1.4
179.05513	1.4
180.04288	1.3
181.01375	6.9
182.02228	9.7
183.02850	1.4
195.06570	2.3
196.03787	4.7
197.04561	61.1
198.04926	3.3
211.06148	10.2
224.03293	4.2
239.05624	35.1
240.05922	2.7
269.06671	2.3
299.07767	6.9
329.08286	1.4
344.07364	3.4
359.09863	85.4
360.10284	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	360.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60723	3.4
72.99316	43.0
73.99650	6.5
74.99732	0.9
75.22835	0.8
98.22569	2.0
108.05381	1.1
109.02952	1.2
123.04549	15.5
124.04865	8.7
125.05039	1.4
132.02168	2.5
133.02979	37.3
134.03302	27.8
135.04547	27.8
135.76671	1.0
136.04883	21.7
143.68478	0.9
161.02464	100.0
162.02806	96.2
163.02985	3.8
179.03526	14.9
180.03876	11.6
181.04100	1.0
197.02803	1.8
197.04567	22.5
198.04922	19.1
199.05133	1.0
360.08182	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	361.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.5
60.06712	0.6
61.98825	1.5
62.05084	0.7
71.01398	0.7
71.08545	1.2
72.00915	3.2
74.02480	4.7
86.48377	0.6
89.02459	0.7
90.36849	0.6
91.40877	0.6
95.66161	0.6
116.05087	14.2
119.05045	8.9
130.06641	64.2
131.07033	3.4
135.04570	1.3
137.06149	0.8
141.98248	5.8
142.06619	3.3
158.06076	1.0
159.09207	1.7
162.02773	1.3
163.04051	10.3
174.99200	1.4
176.26933	0.7
187.98848	3.3
202.98785	1.9
203.08290	7.4
204.08571	1.3
207.37157	0.8
213.03502	5.1
217.00296	2.7
246.04559	4.9
255.04547	3.2
259.04013	2.1
301.05096	100.0
302.05481	8.7
325.09641	0.7
361.10733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07618	0.2
59.01381	0.5
68.96343	0.3
69.82157	0.8
72.99313	2.4
73.32050	0.3
87.40970	0.3
89.03976	0.3
92.71464	0.2
106.04241	0.4
107.05039	2.1
109.02976	0.3
117.03475	0.5
121.02978	0.6
123.04531	1.1
126.18427	0.3
134.03766	5.2
135.04544	100.0
136.04865	4.3
137.06104	1.1
151.04027	0.6
161.02431	0.3
167.94962	0.3
169.55673	0.3
179.03523	14.3
180.03844	0.9
181.05035	2.0
190.21359	0.3
197.04590	4.3
198.04863	0.4
198.59903	0.2
215.09926	0.3
243.84734	0.3
361.09357	4.7
362.09546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02027	0.4
55.01871	0.7
57.03435	0.6
59.01385	8.1
60.01702	0.5
66.40818	0.5
69.68988	1.1
69.69332	0.5
70.93964	0.4
71.01013	0.7
71.01381	7.1
73.02950	2.0
78.01113	1.3
82.89181	0.5
83.01391	1.3
85.02962	1.8
89.00327	1.6
89.02453	4.9
91.01884	0.8
95.01363	0.5
98.22583	0.8
101.02453	10.3
106.00616	1.8
111.00919	1.1
113.02464	1.0
119.03517	0.9
121.02971	35.1
122.03270	1.1
123.00854	2.6
127.00381	1.1
135.04555	1.0
137.02458	4.5
138.03250	4.4
139.00441	0.6
139.04005	0.9
153.05589	30.3
154.05919	1.0
162.02821	0.6
163.06168	1.2
181.07193	6.8
182.02229	1.8
183.02913	0.7
197.04570	100.0
198.04893	4.9
199.05017	0.6
202.98779	0.6
239.88387	0.5
241.06207	0.6
299.52875	0.5
357.66525	0.4
361.10959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1507
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
54.29293	0.7
55.01879	0.9
56.54472	0.7
57.03447	1.2
59.01389	53.2
69.03463	2.1
71.01393	24.1
71.43945	1.1
72.94501	0.7
72.99319	9.1
73.02950	1.9
73.99623	1.1
74.99742	1.5
79.57500	0.8
83.01388	1.9
85.02962	5.9
86.01746	0.7
87.00884	0.9
89.02456	19.3
95.01415	1.9
100.37292	0.7
101.02451	13.7
107.08686	20.3
113.02464	8.4
119.03523	8.3
119.08705	2.1
123.04573	2.6
125.24820	0.7
133.02977	5.7
134.03314	3.6
135.03612	1.5
135.04544	6.8
136.04909	3.7
137.02431	0.9
137.04974	1.1
137.09790	1.1
161.02489	19.0
161.04517	1.2
162.02803	13.5
163.02986	10.5
163.07692	2.1
179.03517	2.5
180.03844	2.1
181.04118	1.4
181.08742	28.8
182.09077	0.8
197.04570	3.5
198.04941	3.2
199.05087	3.3
199.09790	30.3
200.10185	2.5
241.10754	0.9
361.15091	100.0
362.15433	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2025
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
67.43401	0.4
70.89823	0.5
79.13273	0.3
79.88650	0.4
80.96487	0.4
135.04527	0.4
161.02467	1.2
162.02786	0.8
163.02995	0.7
199.05026	0.4
200.08429	2.1
200.50829	0.4
212.08282	0.4
212.12132	1.1
213.09229	34.2
214.09621	2.3
225.09077	0.7
225.16510	1.4
240.11636	4.3
241.16057	1.6
243.10239	2.2
253.12340	0.8
254.13167	1.0
269.15488	45.6
270.15784	4.7
271.09689	0.5
271.17068	0.7
281.08444	0.6
281.15469	6.1
282.15829	0.8
299.16550	18.1
300.16867	1.9
301.18109	2.1
313.18057	0.9
329.17566	3.7
330.17847	0.4
331.19208	2.3
343.19235	0.4
361.20242	100.0
362.20599	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2023
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
54.08454	0.3
56.29405	0.4
66.55463	0.4
69.89211	1.3
96.95995	1.3
98.21909	0.5
161.02461	0.8
162.02827	0.4
200.08473	3.0
212.12090	1.7
213.09225	50.0
214.09535	4.1
225.09203	1.2
225.16472	2.2
239.11006	0.5
240.11592	5.6
241.12003	0.9
241.15938	2.3
243.10275	4.7
251.10770	1.8
253.12376	0.9
254.12975	0.9
263.10818	0.9
269.15491	67.4
270.15802	7.4
271.09769	0.6
271.17096	1.0
281.11880	3.1
281.15509	7.6
282.12405	0.6
282.15732	1.0
297.14688	0.7
299.16544	26.1
300.16855	3.4
301.18182	4.6
311.29330	0.4
313.18118	2.1
316.16895	0.4
329.17606	10.0
330.17923	1.1
331.19174	6.6
332.19473	0.6
346.17612	0.5
361.20233	100.0
362.20587	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	361.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39870	0.7
61.98825	2.5
63.93639	0.7
69.52594	3.0
77.49741	0.7
88.92870	0.7
98.22717	0.7
98.49264	0.7
136.53384	0.7
161.02484	1.6
162.02803	1.8
163.03001	2.0
165.05588	1.1
195.06586	1.4
199.05052	0.9
202.98766	1.9
215.10809	1.6
219.06575	1.1
229.08765	1.5
256.11047	0.9
257.11801	0.8
259.09753	17.7
260.10199	1.3
271.13354	1.3
285.14987	5.3
286.15753	12.8
287.16348	1.3
297.15305	0.8
298.15756	2.1
299.16306	1.7
301.14331	1.1
304.09195	0.8
315.16077	21.1
316.16760	35.4
317.17178	4.0
318.14975	1.4
331.19415	1.0
346.17859	55.6
347.14603	3.7
347.18530	6.5
348.15775	12.6
349.15973	1.7
361.16458	17.0
361.20306	100.0
362.16681	1.9
362.20636	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	361.2023
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
57.12991	0.5
65.97616	0.5
71.28585	0.7
142.33347	0.5
161.02451	1.2
162.02797	0.9
163.02856	0.9
170.66757	0.5
199.05161	0.7
200.08459	2.8
212.11998	1.4
213.09221	50.3
214.09569	3.6
225.09184	0.7
225.16492	1.5
240.11551	3.9
241.15993	1.9
243.10266	3.2
244.10446	0.6
253.12256	0.7
254.12872	0.6
269.15479	68.0
270.15826	6.4
281.15543	5.6
282.15833	0.8
299.16556	22.1
300.16873	3.2
301.18170	3.4
313.18112	1.7
329.17633	9.2
330.17944	1.2
331.19156	5.6
332.19608	0.6
361.20227	100.0
362.20599	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2025
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
58.39870	0.7
61.98825	2.5
63.93639	0.7
69.52594	3.0
77.49741	0.7
88.92870	0.7
98.22717	0.7
98.49264	0.7
136.53384	0.7
161.02484	1.6
162.02803	1.8
163.03001	2.0
165.05588	1.1
195.06586	1.4
199.05052	0.9
202.98766	1.9
215.10809	1.6
219.06575	1.1
229.08765	1.5
256.11047	0.9
257.11801	0.8
259.09753	17.7
260.10199	1.3
271.13354	1.3
285.14987	5.3
286.15753	12.8
287.16348	1.3
297.15305	0.8
298.15756	2.1
299.16306	1.7
301.14331	1.1
304.09195	0.8
315.16077	21.1
316.16760	35.4
317.17178	4.0
318.14975	1.4
331.19415	1.0
346.17859	55.6
347.14603	3.7
347.18530	6.5
348.15775	12.6
349.15973	1.7
361.16458	17.0
361.20306	100.0
362.16681	1.9
362.20636	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	361.2022
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
57.03440	0.6
61.94429	0.3
69.86172	1.0
87.04515	4.8
91.01215	0.4
137.02321	0.4
137.06079	2.1
149.06053	0.4
151.04022	1.4
152.04784	0.4
161.02388	0.6
162.02798	0.7
163.02992	0.6
165.05562	4.3
165.09204	1.1
166.06367	17.4
167.07085	1.7
175.04025	1.3
177.09209	1.3
178.06230	0.5
188.50998	0.4
189.05629	1.1
189.09248	1.5
190.06406	0.6
190.09982	1.6
192.07951	2.1
193.08682	1.9
194.09354	0.4
195.13966	0.4
203.07204	0.6
203.10788	1.2
204.07939	1.8
205.08676	1.5
205.12335	2.9
215.10764	0.4
217.08719	1.8
218.09430	2.9
231.10226	1.4
232.11050	2.2
233.11839	4.9
234.12161	0.6
245.15504	0.9
259.13434	0.6
273.14960	4.9
274.15646	1.4
285.18411	0.5
288.17438	0.5
289.18231	0.6
311.16501	1.0
313.14301	0.5
318.14697	0.9
328.16583	1.0
329.17499	3.1
333.20682	7.8
334.21097	1.2
343.19107	0.6
346.17743	0.8
361.20224	100.0
362.20569	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	361.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46483	0.9
59.01386	20.7
60.94694	0.8
69.34783	3.8
78.95605	0.9
89.33143	0.7
89.35651	0.7
98.21931	1.2
101.88873	0.8
136.61081	1.0
161.02457	2.2
162.02783	0.9
163.02948	0.9
174.10808	0.8
279.23318	100.0
280.23651	10.8
361.15253	2.5
361.19519	1.5
361.23645	15.0
362.23917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32188	0.5
56.67548	0.5
57.67747	0.5
59.01384	32.3
60.01717	3.6
61.01807	0.7
61.98835	100.0
69.18599	3.1
71.01405	0.7
73.70120	0.5
85.19030	0.6
91.72354	0.5
104.48205	0.5
123.00914	0.7
125.01001	0.8
130.71706	0.6
132.98251	0.8
138.03239	1.7
141.00388	0.9
157.03618	0.5
159.01663	0.6
174.99280	5.3
175.99632	2.3
176.99675	1.0
177.96800	1.0
178.98584	2.4
201.02562	3.3
202.98819	1.2
203.02324	2.5
203.30898	0.6
203.98209	4.8
204.00195	2.6
204.02832	2.2
217.00299	9.6
218.00650	11.5
219.00912	3.1
219.97774	47.5
219.99632	1.9
220.97664	0.7
220.99643	9.7
223.99706	1.0
241.05666	0.5
243.03705	2.3
299.56256	0.7
302.09604	0.6
303.06558	0.6
363.08530	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	363.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23981	0.6
57.03463	1.3
59.01384	20.4
63.40182	0.6
64.32799	0.6
69.03481	1.3
69.07353	5.4
71.01385	7.9
71.05025	1.6
72.99319	10.6
73.02955	3.3
75.00889	2.3
78.12915	0.6
81.03458	1.1
82.02993	2.3
83.05048	1.5
85.02518	0.8
85.02955	3.4
87.00885	1.8
89.02436	4.0
93.03447	0.7
95.05043	2.3
99.00879	1.6
101.02437	2.2
106.74735	0.6
109.06605	3.9
111.04585	1.2
111.08157	3.4
113.02491	5.6
113.06088	4.8
119.03531	1.7
119.05060	3.8
121.06602	6.1
121.10255	4.9
123.08202	1.4
127.07709	1.0
132.02167	1.0
133.02979	23.8
135.04558	10.6
136.04013	1.3
137.06105	3.6
139.07706	4.6
150.00885	0.6
157.91342	0.7
161.02463	95.0
161.72061	0.7
162.02800	5.3
164.03526	1.2
165.05580	1.4
179.03503	2.7
183.06651	16.2
183.10263	12.3
184.07051	0.9
196.06126	0.8
201.07706	100.0
202.08022	7.0
208.81642	0.7
213.09113	1.6
249.06154	3.7
267.07202	6.2
285.14914	3.7
287.10425	3.9
297.14935	1.6
315.15961	2.4
331.09213	1.6
363.12546	3.6
363.17651	13.7
364.17618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25463	1.2
52.77988	1.2
55.01888	2.2
57.03448	5.3
59.01383	49.5
60.01729	1.2
67.01896	1.7
67.99490	1.1
68.99810	1.7
69.03462	1.9
69.95027	3.6
71.01392	45.9
71.05041	1.8
72.99328	11.8
73.02948	5.8
75.00880	34.2
81.03474	1.8
82.02994	1.9
83.01405	2.8
83.05032	1.5
84.02195	2.2
85.02962	45.3
87.00882	16.3
89.02454	13.5
95.01389	11.5
95.05027	3.2
98.21893	1.5
99.00885	21.6
101.02441	3.0
103.00375	6.0
109.02960	1.3
111.00879	1.7
113.02464	60.4
113.06098	76.3
114.02809	1.8
114.06427	2.4
115.00394	4.6
117.01950	5.3
119.03506	1.5
121.06628	1.5
129.01956	3.9
133.02985	5.4
134.55946	1.1
135.04527	7.2
136.04048	2.3
149.04550	1.4
157.01480	1.5
161.02461	18.1
164.03580	4.0
175.02493	5.6
179.03535	1.5
182.04942	1.3
183.06737	2.8
183.10269	6.4
201.07686	14.3
205.07240	3.8
207.05151	1.9
213.09244	2.5
223.08278	2.4
231.05132	3.4
249.06168	54.7
250.06458	2.2
267.07227	100.0
268.07501	6.2
285.14935	6.1
287.10376	6.9
303.10880	2.5
315.16086	4.6
331.09418	2.1
345.11783	1.5
363.12955	80.3
363.18024	22.6
364.13272	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	363.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47955	1.4
55.01891	1.7
57.03455	5.1
57.59863	1.4
59.01385	100.0
60.01691	1.6
63.20751	1.4
66.91862	1.5
68.99830	1.9
69.03457	3.2
69.13289	8.8
71.01390	50.7
71.27128	1.3
72.99323	8.6
73.02946	3.8
75.00879	20.0
77.53102	1.7
82.02998	1.7
83.01393	2.3
85.02959	36.1
87.00883	12.8
89.02453	41.1
95.01424	7.8
99.00908	11.8
101.02454	20.4
101.99247	1.6
103.00401	3.7
113.02463	43.9
113.06096	50.7
114.06422	2.0
115.00407	3.4
117.01951	2.7
119.03522	17.1
121.10236	22.6
123.08147	3.4
129.01958	2.8
131.03529	2.0
135.04556	7.6
137.05090	2.2
139.11317	2.6
143.03502	2.7
149.04562	2.8
157.01492	2.1
161.02457	5.1
162.02808	2.3
163.03006	3.8
163.75230	1.7
164.03474	4.2
175.02556	3.5
179.05670	2.2
183.10301	29.4
184.10556	2.1
201.11363	2.3
205.07217	2.4
207.05096	1.6
219.17552	3.4
249.06166	31.7
250.06430	1.8
267.07214	49.2
268.07578	2.4
275.20163	4.3
287.10461	2.6
319.19107	8.0
321.15695	2.2
363.12958	45.9
363.16827	18.1
364.13312	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	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98378	1.1
57.03425	1.9
59.01384	59.9
60.01690	1.3
61.61585	1.1
61.91348	1.4
66.39783	1.1
66.40294	1.2
66.66189	1.4
68.51424	1.1
69.03467	1.5
71.01389	27.8
72.99324	3.3
73.02953	2.6
75.00852	2.3
76.04974	1.4
83.01397	2.5
85.02956	9.4
85.06583	1.6
87.00878	4.2
89.02448	18.9
95.01418	2.9
98.22686	3.6
101.02446	15.6
107.08663	2.0
108.04569	1.8
109.10248	2.7
111.07458	1.1
113.02476	14.1
113.06097	3.5
119.03508	8.4
123.03298	4.0
135.04520	1.7
136.07686	5.5
138.05618	12.3
139.11322	3.2
149.04378	1.2
151.00343	1.2
161.02522	1.5
179.05687	1.5
183.10281	59.4
184.10631	2.0
201.11339	20.5
227.08368	7.0
242.10643	6.2
249.06114	2.1
257.12991	30.9
258.13321	4.0
267.07260	9.2
345.11224	3.0
363.13098	4.2
363.16656	100.0
364.16849	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03443	2.2
57.52989	0.6
57.94847	0.5
59.01386	21.4
63.92973	0.6
69.18038	3.9
71.01387	14.2
72.99314	14.8
73.02956	5.0
75.00891	0.7
78.26083	0.5
83.01395	3.4
85.02949	6.9
86.00089	1.1
87.00890	1.5
88.88179	0.6
89.02455	6.0
95.01394	1.5
99.00886	1.9
101.02455	12.2
111.00902	0.7
113.00663	0.6
113.02467	6.1
119.03510	2.1
120.51904	0.6
133.02956	0.8
135.04529	2.0
137.09708	0.8
139.11284	0.8
155.10854	1.1
159.03137	0.6
161.02455	4.4
161.04527	0.9
183.06654	0.9
183.10304	3.5
201.07639	4.4
201.11354	2.2
243.73259	0.6
247.64275	0.6
267.07257	1.7
319.19058	1.0
345.15479	2.1
363.16626	100.0
364.16953	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
57.03446	3.0
59.01384	100.0
61.40798	1.4
67.81300	1.2
69.03465	4.5
71.01389	52.4
71.05032	1.7
72.99303	6.8
73.02934	1.7
75.00882	20.3
80.16623	1.2
83.01406	3.4
85.02953	28.9
87.00880	9.5
89.02455	49.7
95.01397	9.5
99.00897	8.8
101.02449	25.1
103.00374	2.5
111.00814	1.1
113.02463	43.2
113.06100	36.1
113.06896	1.6
114.02814	1.5
117.01938	2.5
119.03513	24.0
121.10239	17.0
129.01910	3.0
130.63158	1.3
131.03520	2.2
135.04523	5.4
139.11307	1.4
140.68669	1.5
157.01408	1.5
161.04565	2.0
164.03638	1.6
175.02446	3.0
179.05608	3.1
183.10266	18.0
184.10667	1.5
194.04453	1.4
201.11304	2.5
231.05075	1.8
249.06154	23.9
267.07224	40.9
268.07489	1.8
287.10361	5.4
363.12891	39.3
363.16748	23.4
364.13116	2.5
364.17142	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
57.03446	3.0
59.01384	100.0
61.40798	1.4
67.81300	1.2
69.03465	4.5
71.01389	52.4
71.05032	1.7
72.99303	6.8
73.02934	1.7
75.00882	20.3
80.16623	1.2
83.01406	3.4
85.02953	28.9
87.00880	9.5
89.02455	49.7
95.01397	9.5
99.00897	8.8
101.02449	25.1
103.00374	2.5
111.00814	1.1
113.02463	43.2
113.06100	36.1
113.06896	1.6
114.02814	1.5
117.01938	2.5
119.03513	24.0
121.10239	17.0
129.01910	3.0
130.63158	1.3
131.03520	2.2
135.04523	5.4
139.11307	1.4
140.68669	1.5
157.01408	1.5
161.04565	2.0
164.03638	1.6
175.02446	3.0
179.05608	3.1
183.10266	18.0
184.10667	1.5
194.04453	1.4
201.11304	2.5
231.05075	1.8
249.06154	23.9
267.07224	40.9
268.07489	1.8
287.10361	5.4
363.12891	39.3
363.16748	23.4
364.13116	2.5
364.17142	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	363.1819
Annotation	Xerophilusin C
Peak:m/z	Relative Intensity
51.21665	0.3
62.35278	0.3
69.03455	0.7
69.22209	0.7
69.22611	1.6
71.01391	1.4
73.02953	2.3
75.00857	0.4
78.65837	0.4
79.05550	1.4
83.05041	0.7
85.06603	0.7
95.05042	1.0
97.06625	0.6
98.55431	0.4
108.12293	0.4
113.06103	4.3
122.03741	0.4
123.04543	1.4
123.08198	0.4
124.01729	0.4
125.06136	0.4
132.02187	2.2
135.04529	1.0
136.04050	0.6
137.06068	2.2
139.07654	0.7
147.11797	1.1
148.05290	0.4
150.03236	1.4
150.06857	0.6
151.04010	2.5
151.07674	2.4
160.01675	15.0
161.02480	3.0
161.06079	0.5
163.07603	0.4
165.05592	6.2
165.09230	5.1
166.06378	6.6
167.07147	5.2
173.09857	0.5
175.04021	23.1
176.04726	3.0
176.08455	4.0
177.09239	0.8
178.06358	0.8
186.06892	0.6
188.04698	0.4
189.05612	1.0
191.10800	23.9
192.07974	1.3
192.11150	1.4
193.04961	0.4
193.08720	11.4
193.12363	1.7
194.05858	0.6
194.09120	0.6
195.06595	0.5
195.10205	0.4
201.09196	1.6
203.07198	0.7
203.10812	1.3
204.07919	3.4
205.08682	1.6
206.09470	0.5
207.10248	0.5
208.07364	2.1
217.08611	0.6
218.09500	1.2
219.10286	29.0
220.10649	1.7
221.11778	2.8
224.06830	0.6
225.09453	0.4
231.10338	2.8
233.11784	0.9
249.11340	9.5
250.11717	0.8
271.13397	1.6
273.15121	1.7
276.13647	0.6
283.09781	0.7
285.14993	0.6
287.16568	1.5
300.30161	0.4
301.14850	0.4
301.18106	0.8
305.17593	1.6
317.17667	1.0
327.08801	3.6
327.16013	0.7
331.19003	0.7
335.18646	0.5
345.17105	4.3
351.04843	0.4
363.18170	100.0
364.18509	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	363.2184
Annotation	Methyl tetrahydroisosarcoate
Peak:m/z	Relative Intensity
56.03199	1.3
61.98841	1.7
66.76507	1.2
69.44971	3.0
69.45355	3.2
69.48042	1.2
69.73331	1.1
98.95625	2.5
144.34355	1.2
197.00140	1.2
214.09770	1.6
215.09894	2.2
217.08763	4.9
227.10896	3.7
230.09460	2.4
237.09293	3.9
247.80711	1.2
249.09178	1.3
251.10823	1.8
251.93335	1.4
258.12708	3.0
265.08826	1.6
268.14780	1.8
269.15686	1.5
271.16077	1.8
273.18649	2.5
281.11932	1.6
283.17081	26.8
284.17407	4.1
293.40161	1.3
295.09760	8.0
300.17221	2.5
301.18124	100.0
302.18359	8.8
303.19775	2.7
315.16083	2.1
331.19180	47.1
332.19696	5.6
333.17139	6.8
333.20834	3.4
363.18344	5.4
363.21838	99.3
364.22272	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	363.2181
Annotation	Methyl tetrahydroisosarcoate
Peak:m/z	Relative Intensity
61.98827	0.9
62.80526	0.8
65.64854	0.7
70.56399	1.4
88.82904	0.8
92.64589	0.9
95.83730	0.8
98.22617	0.8
187.07634	2.3
200.08426	1.9
215.10780	6.6
227.10811	2.2
242.13164	1.8
271.17047	81.9
272.17349	11.5
273.18579	1.2
283.17023	14.3
284.17447	2.4
299.16443	4.0
301.18109	53.3
302.18433	8.8
331.19153	74.2
332.19519	9.5
333.20728	1.2
363.21783	100.0
364.22144	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	363.2183
Annotation	Methyl tetrahydroisosarcoate
Peak:m/z	Relative Intensity
52.88834	0.6
56.58377	0.6
61.98835	1.2
70.83695	0.9
91.57301	0.5
111.92162	0.7
163.12442	0.7
175.54837	0.8
187.07692	3.3
199.07639	0.8
200.08502	1.9
227.10829	2.2
242.13095	2.3
271.17075	35.6
272.17441	3.6
283.17090	12.9
284.17404	2.1
299.16592	3.1
300.17084	1.8
301.18118	37.5
302.18530	5.0
331.19183	100.0
332.19540	11.0
363.21783	8.5
364.22098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2181
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
52.05425	0.6
52.07964	0.6
61.98786	1.0
71.39688	0.6
91.47167	0.6
97.55489	0.6
124.10127	0.9
160.38235	0.7
187.28683	0.8
231.10336	0.8
234.12599	1.3
251.07259	1.0
258.12610	1.2
259.13364	0.8
260.14041	2.1
262.12006	0.9
279.06607	1.3
287.16547	5.7
288.17300	11.4
289.17715	1.3
290.15277	2.9
299.16321	4.0
300.17059	2.2
317.17584	5.4
318.18356	14.8
319.18646	1.7
330.18372	2.0
334.87158	0.7
348.19434	100.0
349.19791	11.4
363.21802	57.1
364.22089	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	364.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27736	1.4
55.01877	1.6
57.03452	16.5
59.01387	100.0
60.01709	1.6
70.55099	1.4
71.01389	28.1
73.02943	8.3
83.01411	2.7
85.02968	12.9
87.00907	1.5
89.02457	5.9
94.54321	1.4
95.01395	2.5
99.00888	3.6
99.04520	11.9
101.02455	20.0
113.02459	10.6
116.92874	3.6
125.02482	4.3
135.04524	2.9
143.03505	2.7
159.02953	4.1
161.04570	29.6
162.04900	1.6
163.04042	1.7
167.03470	1.4
177.69781	1.4
184.09840	1.4
200.10829	1.4
203.03244	2.1
203.09097	2.1
209.04619	1.7
221.10243	3.1
269.06702	1.7
304.06100	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	364.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
83.18675	5.5
93.03470	100.0
95.05028	16.7
96.59981	5.0
112.33424	5.2
134.72858	4.8
135.44177	5.2
158.53798	5.1
169.06627	8.1
243.65363	5.2
248.07448	6.0
249.12772	5.8
265.12384	7.6
293.11884	63.0
294.12033	7.7
331.67285	6.5
337.10745	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	365.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97787	0.5
56.55003	0.5
59.01384	86.3
60.01721	1.2
63.75930	0.5
72.49226	0.5
90.44433	0.5
91.38789	0.5
96.20770	0.6
98.99428	1.2
101.02486	0.6
113.02492	0.7
117.00469	0.6
141.00478	3.1
141.01715	3.5
143.00221	0.6
157.03577	6.2
159.01503	2.1
171.44868	0.5
180.98476	1.3
183.01434	0.8
185.01271	0.9
197.01271	1.1
199.00992	0.6
201.02567	100.0
202.02728	10.1
208.62480	0.5
222.99545	1.8
245.03467	2.3
283.03030	3.7
284.02478	0.8
367.26895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07421	20.3
57.80853	18.5
59.01385	100.0
71.39738	24.8
85.31602	19.7
89.02425	25.5
97.04068	22.0
109.02963	27.3
123.00867	20.5
123.04548	34.1
128.72226	21.4
134.89360	21.9
135.04510	26.2
154.92570	21.8
160.97816	21.2
167.03488	71.3
170.22420	21.7
170.24023	25.4
172.54802	22.8
181.05148	24.1
194.02316	21.3
209.04568	92.9
233.08252	22.8
239.05377	21.4
266.68048	18.9
269.06854	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	365.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54596	1.5
57.03454	51.7
58.03811	1.6
59.01387	100.0
61.79528	1.7
66.08633	1.8
71.01392	37.9
73.02962	8.2
80.62811	1.5
83.01404	4.2
85.02953	11.6
87.00901	2.7
89.02453	37.5
95.01399	2.4
97.06609	3.5
99.00918	2.9
99.04536	42.1
101.02457	37.1
113.02471	17.3
115.50376	1.8
119.03519	16.9
125.02460	15.8
131.03561	3.2
135.04553	2.2
143.03477	3.3
159.03014	2.5
161.04573	14.3
167.03522	3.5
179.05669	6.7
189.72160	1.6
203.12898	3.5
209.04514	4.2
221.10303	11.3
251.66960	1.5
273.56726	2.2
277.12842	2.7
294.71021	1.6
329.08707	4.7
365.18134	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	365.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42244	34.1
64.85098	36.3
66.85992	35.2
70.91576	77.0
75.41050	32.9
100.99357	33.4
173.17703	38.3
232.82875	51.0
365.26999	100.0
369.44861	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
60.99014	0.2
67.90768	0.3
71.52718	0.2
72.99304	2.6
85.38909	0.2
89.03965	0.3
102.65824	0.3
105.03449	0.4
105.71417	0.2
115.01873	0.3
116.05081	4.1
123.01097	0.2
128.05098	2.2
130.06647	2.4
131.06914	0.2
132.02165	1.1
133.02969	26.3
134.03331	1.0
135.04549	6.6
136.04926	0.3
138.03214	0.3
142.06645	4.7
142.23581	0.3
144.04507	0.3
158.06131	10.2
159.06508	0.6
161.02463	100.0
162.02792	5.0
164.01184	0.5
179.03522	3.1
186.05609	4.9
187.05959	0.3
197.04657	0.3
204.06679	27.8
205.07031	1.8
222.47447	0.2
248.26808	0.3
307.08600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70702	0.6
59.01370	1.3
71.01400	1.3
72.99319	3.3
89.03985	1.3
101.02484	1.1
107.15744	0.7
109.02952	1.2
117.03501	2.0
121.02959	3.3
123.04484	1.7
130.39450	0.8
133.02933	1.2
135.04561	7.4
145.02989	1.2
161.02724	1.3
161.04138	8.3
179.03552	2.7
197.04523	1.7
198.04991	0.7
209.04631	0.9
210.06940	0.9
234.99179	1.1
235.11884	2.1
270.67004	0.8
277.00507	0.9
277.07123	1.0
278.08945	1.1
279.08365	88.9
280.08731	7.7
281.06540	0.9
295.05975	1.0
323.07364	38.4
324.07645	3.0
367.06351	100.0
368.06729	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70702	0.6
59.01370	1.3
71.01400	1.3
72.99319	3.3
89.03985	1.3
101.02484	1.1
107.15744	0.7
109.02952	1.2
117.03501	2.0
121.02959	3.3
123.04484	1.7
130.39450	0.8
133.02933	1.2
135.04561	7.4
145.02989	1.2
161.02724	1.3
161.04138	8.3
179.03552	2.7
197.04523	1.7
198.04991	0.7
209.04631	0.9
210.06940	0.9
234.99179	1.1
235.11884	2.1
270.67004	0.8
277.00507	0.9
277.07123	1.0
278.08945	1.1
279.08365	88.9
280.08731	7.7
281.06540	0.9
295.05975	1.0
323.07364	38.4
324.07645	3.0
367.06351	100.0
368.06729	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.2
63.83924	0.8
64.84557	1.2
66.11646	0.9
66.57246	1.0
72.99268	0.9
89.59802	0.9
89.82281	0.9
121.02973	2.2
132.26382	0.9
135.04559	1.8
147.04500	1.8
148.05325	100.0
149.05644	5.7
161.02504	1.3
163.07666	68.7
164.07979	4.0
275.90128	1.0
367.04944	1.0
393.95181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	38.5
72.99327	27.3
73.95885	13.3
99.08417	14.8
109.02994	29.0
119.05041	31.0
123.04633	19.2
128.30360	13.7
135.04544	100.0
140.14659	13.8
142.87621	14.1
167.03477	19.1
179.03543	29.2
192.95866	17.1
197.04608	30.9
254.64134	15.6
295.06128	38.0
335.92639	14.1
367.14709	31.7
382.00381	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	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39611	0.8
55.01883	4.8
57.03465	4.1
59.01384	39.4
66.31927	0.7
69.03437	1.3
69.11167	3.6
69.11563	1.2
71.01389	45.7
71.05006	1.0
72.01708	1.1
72.99316	4.1
73.02952	29.9
74.03294	0.7
75.00867	2.0
81.03460	0.8
83.01398	14.4
85.02960	28.2
85.03471	1.8
86.00096	1.7
86.03257	0.8
87.00896	3.5
87.04544	0.8
89.02454	9.0
95.01366	3.3
97.02956	2.5
98.21908	1.7
99.00887	13.1
99.04499	1.0
101.02454	57.0
102.02791	1.5
109.02952	1.0
111.00158	1.3
111.00893	15.3
113.02460	22.9
115.04004	1.6
117.03479	1.2
119.05032	5.3
121.02969	0.9
123.00767	0.7
123.04528	1.5
125.02468	3.3
129.01926	2.0
131.03523	2.4
133.02985	0.8
134.03746	3.3
135.04526	9.7
136.04909	0.7
137.02477	4.3
139.90816	0.8
142.99896	0.8
143.03500	2.4
145.02983	3.9
147.11438	0.7
149.04585	1.4
149.05966	1.1
154.99869	1.2
159.03009	6.0
161.02505	1.1
161.04570	19.4
163.04073	4.1
168.60045	0.7
173.00960	4.4
173.04486	0.8
177.01959	1.0
179.03500	2.3
191.05539	1.6
193.05064	4.1
197.04549	3.1
233.06670	2.4
235.11885	100.0
236.12202	6.3
265.05096	2.5
295.06183	0.7
300.90427	0.7
303.24539	0.7
367.08289	4.3
367.16095	75.2
368.16504	6.8
392.75638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2494
Annotation	Protoconstipatic acid
Peak:m/z	Relative Intensity
57.03440	15.3
59.01392	13.2
65.58046	7.2
71.01376	10.7
72.02168	16.8
73.02953	21.1
80.04031	7.3
87.04527	88.6
95.05032	6.8
121.02973	8.8
123.14989	7.2
139.07657	18.5
153.09224	9.8
163.25740	8.2
167.30827	7.5
174.99246	9.9
186.95587	9.5
187.30568	7.4
202.98839	10.0
215.47617	6.9
221.70319	7.1
249.22310	22.9
261.22195	16.4
271.17099	10.3
275.23718	8.8
279.23270	25.3
283.17014	10.5
287.23721	18.1
293.25021	40.5
295.22888	26.3
296.05737	8.1
301.18079	27.8
305.24857	83.1
323.25931	88.2
329.17581	11.5
331.19180	100.0
367.24988	10.8
386.39835	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2646
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.77109	0.5
61.64268	0.5
61.64579	0.5
63.82077	0.4
69.64234	0.5
70.68781	0.9
71.59930	0.6
77.93111	0.5
79.26513	0.5
82.82889	0.5
133.06570	2.8
149.09735	84.6
150.10089	4.5
166.70987	0.5
189.12897	0.9
205.15987	88.8
206.16327	7.1
215.56116	0.6
224.90628	0.5
316.31290	0.6
367.26434	100.0
368.26752	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	369.0617
Annotation	6-Methoxypulcherrimin
Peak:m/z	Relative Intensity
53.13532	0.4
54.16264	0.4
57.05334	0.4
80.59264	0.4
81.15866	0.4
83.29688	0.4
135.04547	2.4
152.93269	0.4
178.70027	0.4
182.03699	1.3
203.12265	0.5
208.29068	0.5
210.03180	1.1
237.43785	0.4
238.02725	0.8
239.03566	1.7
249.02138	0.8
265.01392	4.6
266.02200	5.4
267.02945	1.3
277.01465	1.2
278.02100	0.5
279.03030	1.4
280.03711	0.6
293.00952	3.4
293.03976	0.7
294.01727	66.5
295.02335	15.3
296.02838	1.3
308.03290	1.6
309.04071	0.7
310.85226	0.5
323.01978	71.5
324.02399	8.6
325.07205	0.4
338.04288	1.0
369.06171	100.0
370.06503	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	369.0829
Annotation	Fraxin
Peak:m/z	Relative Intensity
56.82390	1.0
58.65634	0.9
59.01382	8.5
65.55917	0.9
71.01400	5.1
71.45522	1.0
72.99336	1.6
73.02974	1.3
77.00012	0.9
79.41547	1.1
83.05058	1.4
83.91641	1.2
85.02948	2.0
86.88963	1.0
87.00886	16.6
89.05279	0.9
92.02704	2.4
93.03467	74.1
94.03810	3.0
101.02448	3.0
107.05019	1.5
109.02978	1.9
113.02489	1.7
119.05044	1.4
121.02957	2.8
122.02520	1.6
123.04536	4.1
125.07227	1.0
129.01968	1.3
133.02942	4.0
134.03773	2.3
135.04535	64.7
135.97084	0.9
136.01648	1.2
136.04872	3.4
137.02458	100.0
138.02797	3.9
147.04578	1.3
149.02461	1.2
151.02870	1.8
151.04025	30.2
152.04314	1.2
161.02457	4.6
163.04027	13.6
165.05583	1.8
177.05605	7.3
179.03514	91.6
180.03847	5.4
207.02997	49.7
208.03294	2.5
209.04559	4.5
224.17712	2.2
249.04042	8.5
250.36847	1.0
279.05145	4.6
309.06143	7.5
329.85086	1.0
333.22934	4.0
351.23984	4.7
369.08234	5.3
369.24933	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	369.0828
Annotation	Fraxin
Peak:m/z	Relative Intensity
50.95090	1.2
56.46736	1.0
59.01394	6.6
60.71549	1.1
69.23445	7.1
71.01386	4.3
72.99327	1.7
73.02948	1.5
85.02979	1.2
87.00882	11.8
89.88972	1.1
92.02702	4.4
93.03468	55.5
95.01412	1.3
101.02464	2.1
107.05052	2.2
108.02202	2.1
121.03033	2.8
123.04559	4.1
129.01917	2.5
131.05014	1.5
133.02945	3.7
134.03738	3.3
135.04549	59.6
136.01706	3.4
136.04872	3.3
137.02463	79.2
138.02826	2.7
140.05600	1.3
149.02505	2.9
151.04028	42.2
152.04369	1.4
160.77834	1.1
161.02463	7.7
163.04013	14.3
175.04033	1.8
177.05568	16.1
179.03522	100.0
180.03888	6.2
197.04552	1.6
207.03008	23.1
209.04614	12.0
214.03700	1.3
221.04536	2.6
249.04053	16.9
279.05139	11.9
309.06180	26.7
310.06525	1.9
328.33554	1.4
349.24051	1.2
369.08072	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	369.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66678	1.5
69.35265	1.4
69.48166	5.9
135.04538	8.0
194.10240	1.7
199.60701	1.5
215.16806	1.5
221.09651	4.7
223.07555	2.8
237.09224	11.7
238.09831	1.9
241.05107	2.4
249.05438	2.6
250.06355	2.2
251.07130	4.3
263.07214	4.0
264.07852	1.7
265.08704	20.5
266.09384	4.2
298.08447	2.6
310.08472	11.2
315.19470	1.7
325.10849	100.0
326.11142	8.9
354.03680	2.0
369.06049	6.5
369.10080	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	369.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60308	1.2
67.93340	1.0
69.66882	4.8
70.97507	1.1
71.35127	1.1
72.99322	1.4
86.09487	1.0
96.96053	1.3
135.04599	6.4
198.72540	1.1
221.09781	5.1
223.07729	2.7
237.09230	10.6
238.09900	1.4
241.05170	1.6
249.05644	3.1
250.06250	1.9
251.07065	1.5
263.07089	2.3
264.07733	1.1
265.08765	18.1
266.09390	4.4
288.88815	1.2
298.08453	2.5
310.08508	9.8
311.08841	2.7
315.19708	1.8
325.10840	100.0
326.04327	1.2
326.11212	9.5
369.06158	3.2
369.10114	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	369.2436
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
78.95879	1.4
85.07655	1.1
104.02634	1.4
118.84292	1.4
133.10219	3.7
161.09738	1.9
163.11304	100.0
164.11627	4.8
175.64087	1.1
177.38065	1.2
179.10814	19.1
183.01144	1.6
193.12346	19.8
194.12730	2.1
255.85936	1.3
311.16931	1.4
337.21744	10.9
338.22153	1.6
369.24374	80.0
370.24670	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	371.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.9
69.75715	2.8
71.01389	1.2
72.99323	1.6
93.03429	0.8
98.10525	0.7
99.00571	0.8
101.02463	0.8
104.37761	0.7
108.02180	4.8
109.02969	13.6
123.04515	4.0
133.02960	3.7
134.03748	1.7
135.04536	8.5
136.04906	1.2
145.02977	2.0
146.03748	11.4
147.04543	2.4
149.02405	1.1
149.06107	0.9
151.04070	0.9
158.03741	3.1
159.04546	24.2
160.04858	1.3
161.02454	2.8
179.03581	0.8
195.08113	0.9
196.57031	0.8
197.04549	0.9
198.06897	0.9
199.07657	0.9
202.02681	0.8
209.05992	0.7
209.86804	0.7
211.07655	3.1
217.05109	1.0
221.06145	1.6
222.06865	1.8
223.07631	2.4
224.04753	1.3
225.05586	2.8
231.80362	0.8
237.05435	0.8
238.06342	2.7
239.07149	11.7
240.07739	1.3
249.05602	2.7
250.06375	11.4
251.07097	12.3
252.07362	1.0
253.05084	12.3
254.05437	1.7
265.05054	4.1
266.05823	8.9
267.06638	100.0
268.07257	21.4
269.07938	0.8
281.08221	2.3
283.09787	60.5
284.09955	4.9
291.79099	0.8
327.08762	39.7
328.09033	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	371.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.9
69.75715	2.8
71.01389	1.2
72.99323	1.6
93.03429	0.8
98.10525	0.7
99.00571	0.8
101.02463	0.8
104.37761	0.7
108.02180	4.8
109.02969	13.6
123.04515	4.0
133.02960	3.7
134.03748	1.7
135.04536	8.5
136.04906	1.2
145.02977	2.0
146.03748	11.4
147.04543	2.4
149.02405	1.1
149.06107	0.9
151.04070	0.9
158.03741	3.1
159.04546	24.2
160.04858	1.3
161.02454	2.8
179.03581	0.8
195.08113	0.9
196.57031	0.8
197.04549	0.9
198.06897	0.9
199.07657	0.9
202.02681	0.8
209.05992	0.7
209.86804	0.7
211.07655	3.1
217.05109	1.0
221.06145	1.6
222.06865	1.8
223.07631	2.4
224.04753	1.3
225.05586	2.8
231.80362	0.8
237.05435	0.8
238.06342	2.7
239.07149	11.7
240.07739	1.3
249.05602	2.7
250.06375	11.4
251.07097	12.3
252.07362	1.0
253.05084	12.3
254.05437	1.7
265.05054	4.1
266.05823	8.9
267.06638	100.0
268.07257	21.4
269.07938	0.8
281.08221	2.3
283.09787	60.5
284.09955	4.9
291.79099	0.8
327.08762	39.7
328.09033	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	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
55.58652	0.8
56.79181	1.0
57.03458	2.0
57.45628	0.9
59.01387	20.0
60.58123	1.1
62.10311	0.9
65.13854	0.9
68.59097	1.1
68.99830	1.6
69.03463	1.6
69.86107	1.1
69.86435	3.2
71.01389	17.6
72.99306	5.0
73.02953	2.4
75.00877	17.4
81.03481	2.8
83.01430	1.5
83.21328	1.2
85.02957	19.3
87.00874	6.1
89.02474	3.4
93.03455	1.5
95.01399	6.7
99.00893	10.6
103.00381	2.4
113.02462	24.3
113.03253	1.3
115.00404	2.5
117.01971	3.4
119.23332	1.1
121.02969	100.0
122.03304	3.9
123.04543	8.7
125.02413	1.3
127.23189	1.1
128.31982	1.0
129.01961	2.2
135.04544	2.9
159.04422	1.0
161.02419	1.0
167.03519	23.3
175.02490	3.2
179.03528	1.3
216.63579	0.9
231.05150	9.3
243.03127	1.2
249.06171	74.1
250.06551	4.3
289.45367	1.3
311.07925	1.0
327.04956	1.0
342.59344	1.0
353.09091	1.1
371.09863	54.0
372.10251	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	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	2.4
57.03442	4.9
58.14894	1.5
59.01387	47.0
59.18619	1.6
68.87965	1.5
69.78919	6.1
71.01396	27.7
71.01783	1.9
72.99299	8.8
73.02937	5.9
73.82018	1.5
75.00881	22.4
77.31753	1.4
81.94099	1.6
83.01407	2.5
85.02967	35.2
87.00905	8.1
89.02460	17.6
89.89951	1.6
93.03470	2.0
95.01397	5.6
99.00908	13.3
101.02450	8.6
103.00410	2.0
103.84672	1.7
109.02971	2.1
113.02473	40.7
115.00378	3.5
117.01967	3.3
117.47416	1.4
119.03519	6.5
121.02973	100.0
122.03300	3.4
123.04543	2.1
129.01961	3.6
131.03578	2.1
134.03769	2.1
135.04532	11.5
137.02466	6.9
150.03204	1.6
159.04491	1.9
161.02509	4.4
161.04407	2.1
167.03583	8.4
175.02490	5.2
175.03899	2.0
178.01851	1.6
179.03540	7.4
191.07138	2.7
193.03444	2.8
209.04715	2.4
209.06609	11.3
225.05569	1.7
231.05174	5.6
249.06195	35.3
250.06570	3.1
253.05026	2.2
255.06651	2.2
263.03372	2.1
265.05014	3.5
267.06729	2.6
291.02878	2.4
292.59265	1.5
309.03992	3.7
327.08560	2.6
353.08344	2.0
371.04562	3.9
371.09821	72.2
371.13684	4.3
372.10046	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	371.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31296	0.5
52.07938	0.5
75.09283	0.5
100.86116	0.5
146.39578	0.5
156.31856	0.5
230.66971	0.6
251.10780	0.7
252.83630	0.6
255.10298	1.4
255.13921	16.6
256.11008	1.3
256.14243	1.1
267.13983	4.2
268.11182	1.4
268.14136	0.8
279.30988	0.6
281.11877	0.8
283.13425	20.8
283.16599	1.0
284.13794	2.0
285.14978	4.9
286.15317	1.2
295.13364	6.1
311.12949	1.4
313.14471	100.0
314.14801	12.2
342.11255	1.1
343.11804	0.9
371.10706	7.8
371.15097	1.9
371.19049	0.8
372.10922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.43412	0.6
59.01379	0.7
67.59753	0.6
69.09448	2.5
69.09866	1.4
98.21955	1.4
136.36101	0.6
162.40019	0.7
164.96654	0.5
181.10207	0.8
195.11818	4.3
195.13362	0.9
209.09732	7.3
223.11304	32.4
224.11996	13.2
225.12506	1.0
228.76976	0.6
253.08739	2.7
256.11029	8.8
268.11069	11.1
269.11398	0.6
283.13422	100.0
284.13754	12.0
327.12384	14.9
328.12711	1.8
335.68808	0.7
360.97260	0.7
371.11282	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	371.1142
Annotation	Asplenetin
Peak:m/z	Relative Intensity
59.01382	2.2
70.07806	2.5
74.28967	1.1
87.00896	2.6
102.05597	1.2
109.02971	1.8
128.03563	5.6
132.07814	1.2
134.03757	5.1
149.02539	1.4
162.03227	1.4
177.00711	2.5
177.05605	2.6
178.02682	2.8
190.99866	1.2
192.02979	1.8
193.05060	7.4
193.66017	1.2
195.08113	1.3
197.09802	1.6
199.07663	2.4
204.81523	1.1
211.07617	1.6
223.07761	2.6
224.12914	3.4
225.05638	1.3
225.09193	2.2
227.10953	2.0
234.34164	1.4
235.07550	1.3
237.09309	2.2
239.07153	1.4
240.07884	3.2
241.08723	11.8
247.07698	1.2
249.05702	3.2
249.09219	2.5
255.06647	1.1
259.09830	4.2
265.08868	2.7
266.09427	1.4
267.06674	1.7
269.08215	16.6
270.08658	2.0
271.09750	6.8
272.09924	1.2
273.11453	1.9
277.08688	1.5
279.06854	1.2
283.09781	3.6
285.07745	2.2
293.08319	2.3
297.11420	4.9
299.09259	5.8
300.10025	6.4
301.10745	2.5
313.07236	4.1
325.10760	2.0
327.08716	2.9
327.12402	2.2
328.09579	33.4
329.10165	7.2
343.11935	14.6
344.12500	2.2
353.10367	1.9
371.11411	100.0
371.18692	2.9
372.11633	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	371.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58347	11.4
69.22752	11.6
69.48929	32.6
69.49319	28.2
83.15533	14.7
92.92765	15.9
191.05621	100.0
228.96841	14.4
273.04691	39.0
283.87811	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	371.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70838	0.8
55.01879	1.4
57.03450	2.2
57.17895	0.7
58.00587	1.9
59.01385	100.0
60.01722	0.7
61.08603	0.8
71.01388	55.2
72.99305	4.4
73.02952	4.4
75.00877	5.5
76.69604	0.9
79.72919	0.9
81.03449	1.0
83.01379	2.0
84.04559	1.1
85.02959	40.4
86.03293	1.6
87.00903	4.3
89.02454	66.6
93.03452	3.7
95.01412	6.2
98.21345	1.0
99.00886	3.6
101.02458	28.9
102.02819	1.0
102.05589	1.6
103.00361	1.0
109.02948	2.0
113.02455	26.8
116.83218	0.8
119.03520	24.4
121.02973	29.0
123.04517	4.0
125.02363	1.3
128.03551	5.2
129.02022	0.8
130.08784	1.3
131.03499	3.3
133.02985	4.9
134.03696	1.2
135.04550	7.2
137.02449	5.3
143.03505	2.2
146.04611	1.2
147.04526	1.9
147.08179	1.6
149.02505	2.2
149.04584	1.3
159.04497	1.2
159.69853	0.9
161.02461	9.3
161.04585	2.4
167.03503	8.8
175.02521	1.1
175.03954	0.9
179.03551	5.7
179.05592	4.9
187.03932	0.9
191.03468	2.3
191.07155	16.4
193.05136	1.6
209.06367	1.7
210.04085	0.9
225.05629	1.0
226.02789	1.2
235.04053	1.1
243.17210	1.8
249.06248	7.9
251.07701	2.7
253.05173	2.3
255.06731	1.2
263.91531	0.9
265.05112	1.1
267.06580	2.1
281.04492	1.8
283.06244	1.6
283.09686	1.2
291.02969	1.7
309.04034	2.9
327.05246	1.5
371.04272	2.0
371.09674	14.7
371.13522	22.6
372.09863	1.5
372.13986	2.3
372.21375	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	371.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44650	1.0
59.01387	100.0
60.01722	1.3
62.77703	1.0
69.14678	6.5
69.79191	0.9
71.01408	4.7
72.99313	3.7
73.02950	1.7
85.02949	3.3
89.02478	1.7
93.03465	2.3
98.21865	1.5
101.02429	2.9
104.11911	0.9
108.02189	1.4
109.02974	1.8
113.02479	2.5
121.02976	3.6
123.04539	2.4
133.02985	2.8
134.03743	1.1
135.04552	10.8
136.04897	2.2
137.02466	5.8
147.04437	1.2
151.04044	1.2
159.04482	1.2
161.02512	5.4
167.03448	1.2
179.03482	7.6
197.04489	2.0
209.04478	1.3
249.06180	1.9
253.05040	1.6
267.06674	1.4
279.03134	1.3
281.04285	1.2
283.09650	1.7
371.09427	2.7
371.13452	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	371.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60869	0.8
55.01869	1.5
57.03455	1.9
58.00595	0.9
59.01386	100.0
64.72166	0.8
71.01388	46.9
71.23853	1.7
72.99309	3.2
73.02967	1.6
75.00887	1.6
83.01408	2.3
85.02958	44.3
87.00893	3.4
89.02453	67.1
93.03471	2.0
95.01396	3.1
99.00908	1.1
101.02454	28.6
106.14644	0.8
109.02976	0.9
113.02461	23.5
114.02790	1.1
114.98605	0.8
119.03517	26.7
119.04337	1.6
121.02970	14.6
125.02491	1.0
131.03516	3.0
133.02937	1.4
135.04504	4.6
137.02480	2.9
143.03519	4.0
147.08218	1.1
150.03148	0.9
161.02472	2.2
161.04593	2.1
167.03561	1.8
175.04092	1.0
179.03561	2.5
179.05592	5.6
188.79744	0.9
191.03531	1.7
191.07147	19.1
192.07462	0.9
209.08295	1.0
226.02718	1.2
237.13052	0.9
249.06265	3.3
255.06628	1.0
308.49435	0.9
309.04175	2.2
335.04337	1.2
371.04883	1.3
371.09439	6.3
371.13751	13.4
372.09695	1.0
372.13998	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	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.37017	0.7
71.01391	3.1
72.99290	2.2
85.02945	1.3
89.02494	1.3
89.61882	0.9
93.03519	0.8
101.02446	2.6
109.02952	2.9
113.02460	1.2
123.04556	1.3
124.01723	1.1
134.03738	1.1
135.04564	7.0
136.04884	1.5
136.84906	0.8
137.02415	1.2
145.02902	1.3
145.65314	0.8
146.03783	1.7
147.04514	1.3
151.04021	1.7
159.04500	3.6
161.02493	1.2
166.06458	0.9
167.07126	2.5
179.03516	1.4
180.03795	0.8
190.02725	1.1
197.04558	2.3
201.78830	0.8
211.07504	1.1
219.03001	1.2
237.52429	0.8
239.07076	1.8
241.55829	0.8
250.06371	1.8
251.07193	0.9
253.05107	1.7
267.06650	10.2
268.07297	3.5
283.06793	1.1
283.09866	9.9
327.08936	6.5
371.13382	4.2
371.17419	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1503
Annotation	(-)-3,4-dimethoxy-3,4-desmethylenedioxycubebin
Peak:m/z	Relative Intensity
59.01384	16.4
61.77260	1.3
64.72415	1.5
69.09881	4.4
69.10286	4.8
98.22691	3.4
130.59961	1.3
135.35190	1.2
178.90388	1.3
227.10829	5.3
235.11330	4.5
239.10768	2.7
251.10841	10.0
252.11288	1.5
253.08862	3.9
253.12376	12.0
255.10236	3.0
255.14011	1.7
263.10641	2.5
264.07889	1.7
265.08743	5.7
266.09473	2.3
267.10339	3.5
267.13919	19.9
268.11057	15.7
268.14191	2.6
269.11655	5.0
278.13272	2.9
279.10294	10.8
280.10953	7.3
281.11859	44.2
281.15015	1.4
282.12247	3.4
283.10239	9.4
283.17047	100.0
284.17407	8.7
295.09882	3.1
296.10583	4.4
297.11368	8.2
300.10135	4.2
307.09756	1.6
308.10568	5.4
309.11407	3.6
311.09247	12.2
311.12909	28.9
311.16577	49.1
312.13400	4.7
312.16855	4.1
326.11630	5.8
329.17639	3.2
339.12454	5.1
342.14746	1.8
343.15591	2.2
371.14935	93.5
371.18796	46.5
372.15005	9.2
372.19385	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	371.1868
Annotation	(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione
Peak:m/z	Relative Intensity
56.56016	1.8
59.01385	18.0
65.61461	1.6
69.81448	6.4
100.47793	1.6
125.04710	1.7
138.56921	1.6
144.82281	1.6
198.05391	1.8
227.10918	3.8
235.11360	2.2
251.10800	6.0
253.08675	2.1
253.12268	11.3
255.10284	2.8
263.11115	2.3
265.08575	2.3
266.09384	2.1
267.10953	2.4
267.13959	20.0
268.11035	5.3
268.14340	3.4
279.10251	6.3
280.11111	2.7
281.11887	27.6
282.12274	4.6
283.10065	4.2
283.17053	100.0
284.17380	9.6
296.10626	3.0
297.11368	5.4
298.11801	2.5
300.10086	2.0
308.10382	3.1
309.11343	2.8
311.09149	7.6
311.12903	19.0
311.16565	61.8
312.13452	2.9
312.16901	7.6
326.11765	2.2
329.17529	3.2
339.12262	3.9
343.15292	2.6
371.14856	59.0
371.18753	61.8
372.15115	5.5
372.19037	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	372.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16518	2.6
52.96534	2.1
59.01391	15.4
59.77201	1.9
64.01936	4.2
71.01396	14.0
72.99319	54.4
78.99868	2.1
83.01408	6.5
84.61855	2.2
85.02959	4.2
86.37933	2.1
87.00887	6.3
89.02468	4.4
92.05069	10.6
93.03472	2.5
94.02977	3.0
96.04590	7.1
99.00903	13.2
106.02993	4.2
108.02235	2.5
108.04569	7.1
109.02981	17.2
113.02454	3.9
115.00388	20.5
119.04977	2.2
120.04580	14.9
121.02979	6.5
121.06589	2.3
122.02496	45.8
123.03280	2.5
123.04527	2.3
125.02472	3.4
130.08728	3.4
131.58427	2.2
133.02982	22.3
134.03810	3.6
135.04541	68.1
136.04047	67.2
136.04865	3.8
137.02512	5.3
138.05624	7.3
145.03012	4.1
146.02493	6.8
147.03334	4.7
147.04517	7.8
148.04068	41.5
148.05243	5.6
149.02478	5.2
149.04892	4.7
149.06091	87.6
149.09775	5.0
149.88091	2.3
150.02010	2.8
150.03229	4.1
159.04601	3.0
161.02463	100.0
161.06111	3.0
162.01859	3.5
163.04033	4.8
164.03491	4.3
165.02052	2.8
165.05562	5.7
166.05101	86.0
167.05499	2.8
174.01938	12.3
175.02562	20.0
175.04053	16.1
177.01913	24.6
179.03517	45.2
189.05615	6.3
191.03543	3.7
192.03050	20.9
193.05133	14.6
203.03471	2.4
205.05148	2.3
206.02237	3.4
210.04074	50.9
219.03004	27.9
227.03346	2.9
233.04562	19.6
237.04062	40.2
237.06314	3.0
249.07838	2.8
275.05725	3.1
277.03546	32.7
282.04175	2.7
283.04858	24.8
284.05640	37.6
285.15378	21.5
293.06760	12.0
319.04807	6.9
337.01584	4.8
337.05664	88.3
372.07224	6.8
372.14066	4.1
373.03278	13.1
373.15100	5.5
397.58228	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	372.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84791	1.6
53.70580	1.8
53.92453	1.6
58.02971	4.3
59.01387	4.7
60.00644	1.8
60.04546	16.6
72.00921	3.6
84.86637	1.4
86.02470	3.1
88.04050	26.3
132.03044	100.0
133.03363	2.0
217.88707	1.8
233.69818	1.7
297.14630	13.9
312.16879	4.0
372.19156	12.5
397.23404	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	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05070	76.6
70.97030	100.0
74.31000	82.3
79.02670	83.1
79.14994	79.7
94.47386	84.3
104.00072	96.8
113.43580	97.0
135.76176	88.2
181.53374	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16531	2.3
55.69226	2.0
59.01384	18.1
71.01396	7.0
72.99315	6.0
73.02943	2.5
74.02483	2.8
83.01398	8.7
87.00894	6.5
95.00032	2.0
99.00890	10.7
100.22253	1.9
102.05598	6.0
104.21507	2.1
107.05032	2.2
108.02189	3.0
109.02948	21.9
113.02460	2.7
115.00375	23.1
119.05025	2.4
121.02966	7.3
121.06620	2.8
123.04528	3.9
123.99271	2.1
125.02493	2.9
127.00387	2.3
128.03577	9.5
133.02956	12.7
134.03781	2.3
135.04552	20.3
136.04863	2.1
137.02470	14.8
139.00337	2.6
145.02939	3.6
146.04611	4.1
147.04521	10.2
148.05321	3.4
148.48257	2.0
149.02452	6.0
149.06096	100.0
150.03227	2.2
150.06430	6.1
151.04016	3.7
161.02467	45.8
161.06120	3.6
162.02843	2.2
163.04034	5.8
165.01869	3.2
165.05537	2.9
175.02496	12.4
175.04033	11.8
177.01967	28.2
177.05594	2.1
179.03532	8.2
187.04037	2.8
187.64009	2.2
189.05640	4.7
193.01514	3.2
193.05104	15.9
205.05042	3.0
206.02185	6.8
210.04166	2.0
213.09184	3.5
214.24582	2.1
215.03648	2.1
219.03003	33.5
220.03465	2.4
233.04599	28.2
237.04059	47.1
238.04272	2.2
241.05159	2.5
243.17030	2.7
247.02498	3.5
249.07790	3.3
275.05585	4.3
275.38855	2.0
277.03537	34.5
278.03842	4.5
278.20038	2.1
293.06747	16.9
319.04684	11.8
329.06598	2.2
337.05695	93.9
338.06055	8.1
339.49179	2.0
343.56219	2.3
372.21500	5.9
373.03244	10.9
373.21667	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	373.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15762	1.7
59.01370	7.7
66.92022	1.7
67.01955	1.7
68.99805	4.3
69.03493	2.0
69.09725	1.8
69.40719	4.6
69.41107	3.1
71.01370	2.1
72.99319	14.7
73.02936	2.0
77.03973	2.8
81.03452	2.0
93.03452	16.3
95.01394	3.1
95.05029	3.8
95.06693	1.6
101.02421	2.3
105.03455	7.5
107.01381	1.9
109.02968	6.5
114.96818	1.8
121.02974	85.1
122.03324	4.2
123.00897	27.8
123.04538	5.2
124.01698	16.7
125.02484	2.6
132.02170	2.9
133.02992	15.4
134.03720	7.8
135.04547	100.0
136.04820	3.5
137.01440	3.5
137.02455	45.1
139.04013	7.3
148.01659	4.5
149.02460	91.9
150.02950	1.6
151.03954	2.2
153.09120	1.7
159.04530	1.7
160.01653	2.1
161.02460	45.3
165.01981	4.7
167.03522	36.5
175.03975	6.4
179.03513	52.4
180.03825	1.9
185.06036	1.7
193.01430	82.5
194.01849	3.7
197.04521	10.1
199.90976	1.6
211.02481	20.6
223.06471	1.7
241.04945	2.1
254.05743	2.4
267.06766	2.2
269.08075	3.4
343.11981	8.6
373.05820	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	373.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28857	0.2
69.44662	0.7
69.45065	0.5
72.99315	0.8
75.93740	0.2
89.04006	0.3
91.05551	0.5
102.85043	0.2
106.04243	0.5
107.05051	1.9
109.02926	0.5
117.03472	0.8
117.13774	0.2
123.04486	0.3
134.03766	8.1
135.04539	100.0
136.04863	4.9
145.02957	0.3
160.01660	0.4
161.02457	0.4
175.04028	0.5
179.03529	5.8
193.05104	0.6
249.17390	0.2
311.09412	0.2
373.09311	0.4
378.07043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0931
Annotation	Methyl rosmarinate
Peak:m/z	Relative Intensity
52.60376	0.1
53.19709	0.1
55.56761	0.1
59.01382	0.3
69.44459	0.4
69.44863	0.3
72.99341	0.1
74.09584	0.1
75.03802	0.1
79.05546	0.2
89.03991	0.5
91.05531	0.8
91.61180	0.1
93.03482	0.3
98.21864	0.3
105.03461	0.2
106.04266	0.4
107.05044	2.9
109.02979	0.7
117.03483	1.3
118.23222	0.1
123.04525	0.5
133.02980	2.8
134.03769	10.4
135.04546	100.0
136.04875	4.6
137.02451	0.4
143.94443	0.2
147.04500	0.1
149.06126	0.3
150.03232	0.2
151.04007	0.3
157.24573	0.1
161.02461	3.6
162.02791	0.2
165.05595	0.4
175.04056	0.1
179.03517	71.4
180.03862	3.5
181.05228	0.1
193.05080	1.4
207.06604	0.2
251.05615	0.2
261.14896	0.2
373.09305	13.1
374.09656	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09422	0.7
69.63100	1.4
69.63465	2.5
72.99318	31.3
77.31425	0.6
98.21890	0.9
107.05035	2.9
109.03005	1.4
117.87115	0.6
121.51263	0.7
123.04536	15.6
132.02170	9.9
134.03754	10.7
135.04539	100.0
136.04878	3.8
151.04016	1.0
160.01668	35.1
161.02466	3.9
175.04016	41.6
176.04402	2.6
179.03502	17.2
180.03775	0.9
193.05064	1.5
197.04570	31.9
198.04915	1.6
199.39133	0.9
211.06149	0.8
341.97882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0935
Annotation	Casticin
Peak:m/z	Relative Intensity
53.64555	1.0
71.02612	0.8
94.69649	0.9
100.93378	2.5
101.93370	1.5
115.92112	4.7
116.92101	2.6
116.92860	1.2
135.04539	2.0
163.04051	1.1
169.03044	0.9
179.03596	1.1
180.00732	1.4
185.02443	1.9
193.01501	1.0
197.02513	0.9
201.02025	1.4
213.01929	4.4
229.01398	8.9
241.01521	4.4
244.03606	1.4
257.00940	30.9
258.01193	2.2
269.00952	10.6
271.02606	7.0
272.03281	15.0
284.03253	4.8
285.00464	19.9
285.03262	0.8
286.00897	1.5
287.05624	2.8
299.02075	1.8
299.05591	3.0
300.02826	16.8
312.99985	11.5
314.00369	1.5
314.04257	1.1
315.05078	3.3
327.01212	1.3
328.02313	12.4
329.02750	1.4
329.06714	2.8
343.04636	100.0
344.05035	9.6
357.06183	2.0
358.06976	66.8
359.07199	7.5
373.09329	49.8
373.16635	1.4
374.09644	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	373.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06386	0.7
55.01862	1.0
59.01385	54.5
69.21073	3.8
71.01386	10.6
72.99310	4.2
73.02956	8.3
83.01373	2.2
85.02950	3.9
89.02454	2.7
93.03471	1.5
95.01376	1.7
97.02988	0.8
99.00910	0.8
99.04565	1.1
101.02455	10.3
106.27692	0.7
107.05064	0.9
108.02178	4.8
109.02972	7.9
110.03291	0.8
113.02470	4.1
119.03508	1.4
120.02183	0.8
121.02990	6.2
122.03755	2.6
123.00897	1.7
123.04536	5.1
124.01669	1.5
132.02209	0.8
133.02986	4.9
134.03755	14.3
135.04552	14.5
136.01703	3.8
137.02441	5.2
145.02969	10.9
146.03770	11.3
147.04518	2.5
148.01683	5.2
148.05412	0.7
149.02454	6.7
149.06093	8.0
150.03255	5.4
151.04019	5.5
153.05609	2.4
159.04510	1.2
160.01704	2.4
160.62167	0.7
161.02475	13.6
161.04587	4.9
161.06096	3.3
162.03233	10.9
163.04080	5.0
164.04805	9.4
165.05614	4.2
167.03583	1.3
173.02518	1.7
174.03233	2.0
175.03999	4.9
177.01936	7.3
177.05586	2.7
178.02646	1.1
179.03525	6.4
179.07143	9.6
180.04129	1.2
181.05092	1.8
186.03423	0.8
187.04082	0.8
188.04802	1.2
191.03511	2.3
191.30249	0.8
192.04257	6.5
193.01460	2.1
193.05115	1.9
193.12424	0.9
194.02165	1.0
195.06728	1.3
197.04604	3.1
197.06148	0.9
205.05186	1.1
207.02989	0.9
207.06650	6.5
209.06100	1.1
219.06709	1.6
225.05641	1.8
226.06363	3.9
236.04715	0.8
237.05707	1.2
238.06398	1.6
250.06340	1.3
253.05084	2.1
254.05878	33.2
255.06590	10.3
256.07169	1.2
266.05856	1.9
267.06625	2.8
268.07376	2.5
269.08221	48.6
270.08850	14.7
271.09509	2.4
281.08316	2.9
282.09024	0.9
283.06235	2.1
283.09811	4.2
284.10587	10.6
285.11230	7.9
286.11536	1.0
295.06131	2.3
297.07797	1.8
298.08508	8.1
299.09067	1.2
309.07928	0.9
310.08380	4.1
311.08945	0.9
313.07507	1.1
313.10812	21.7
314.11154	2.5
321.04053	1.6
325.10873	2.2
328.09622	7.6
329.10410	1.4
331.17560	5.6
340.09607	1.8
341.11493	0.9
343.11887	100.0
344.12265	13.8
355.11813	1.1
373.12796	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	373.1506
Annotation	8-Epideoxyloganin
Peak:m/z	Relative Intensity
52.28082	1.2
53.39904	1.3
54.67802	1.4
55.01888	2.6
56.02684	1.4
57.03444	2.4
59.01387	47.0
66.84078	1.4
69.13124	6.9
69.13538	2.1
71.01389	31.1
72.99320	7.4
73.02955	15.1
83.01384	7.4
85.02965	19.6
87.00883	4.9
89.02458	12.8
93.03425	1.7
95.01398	2.9
97.02968	1.5
98.22617	2.9
99.00905	4.2
101.02457	36.7
108.02130	1.5
109.02959	4.0
111.00891	1.6
113.02489	12.5
119.03515	4.4
121.02987	1.5
123.04552	2.8
129.01952	1.7
133.02917	1.4
135.04541	13.4
137.02441	8.4
138.03131	1.5
148.01695	1.2
149.02559	3.0
150.03210	4.7
151.04001	2.8
152.04770	1.8
153.01990	2.5
153.05643	1.7
159.03021	1.5
159.41568	1.6
161.02441	4.4
161.04585	3.6
163.04036	5.6
164.01135	2.0
165.05580	4.8
177.01849	1.4
179.03508	8.9
180.03732	1.2
181.05077	19.8
182.05656	2.2
183.06697	1.4
193.01511	1.9
196.07448	27.9
197.04590	4.9
197.07864	2.2
211.07809	2.3
211.09772	57.9
212.10146	4.5
213.09187	3.5
216.27046	1.3
219.02997	2.8
257.08273	1.5
358.12793	8.4
373.15063	100.0
374.15295	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	373.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	83.6
60.01730	1.6
61.98837	1.4
69.40739	5.8
71.01386	17.6
72.99315	3.4
73.02946	1.6
83.01395	2.0
85.02954	4.6
87.00883	1.5
89.02455	14.7
93.03472	2.5
94.55749	1.0
95.01390	2.0
95.05031	2.5
99.00886	2.9
101.02440	8.5
106.06654	2.9
107.05028	2.2
108.02209	1.1
109.02972	3.8
113.02473	6.0
115.00391	4.9
119.03522	5.6
121.02998	1.9
121.06567	1.6
122.14369	1.1
123.04564	1.5
125.02457	3.1
133.02962	3.6
135.04514	7.8
137.02437	5.9
139.04005	2.0
142.87193	1.0
145.02916	1.4
147.04543	2.1
148.04088	0.9
149.02484	3.2
149.06090	18.9
149.09735	58.3
150.10100	3.8
151.04068	2.3
160.81537	1.0
161.02455	10.1
163.04080	1.5
166.05058	1.2
166.73639	1.0
168.06659	3.0
175.02509	1.8
175.03960	2.6
177.01970	7.4
179.03578	2.4
189.30084	1.1
193.01460	2.0
193.05038	2.3
219.02982	6.7
228.68507	0.9
233.04488	5.0
237.04048	7.6
258.39700	1.1
277.03665	4.5
293.06696	1.9
308.98734	1.1
319.04605	2.6
337.05667	17.3
338.06009	2.1
373.15063	100.0
374.15353	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	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
57.03456	1.3
59.01385	100.0
60.01715	1.0
62.88377	0.6
69.30197	3.0
69.30481	0.9
71.01389	12.2
72.99321	2.5
73.02955	5.0
81.06176	0.6
83.01411	2.5
85.02949	7.3
89.02448	3.0
95.01422	1.0
99.00927	1.0
101.02450	12.1
113.02460	5.6
119.03529	0.7
123.04519	0.9
124.61471	0.6
133.03015	0.7
134.03795	1.0
135.04539	9.5
136.04893	0.9
143.03621	0.7
155.28610	0.5
159.03015	1.5
160.01686	2.8
161.02464	1.6
161.04590	8.2
162.71504	0.7
175.03978	3.0
179.03497	3.4
195.02852	0.7
197.04605	2.6
235.11749	0.6
313.16687	1.4
331.17642	13.0
332.18100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1871
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01888	0.8
57.03456	1.3
59.01385	100.0
60.01715	1.0
62.88377	0.6
69.30197	3.0
69.30481	0.9
71.01389	12.2
72.99321	2.5
73.02955	5.0
81.06176	0.6
83.01411	2.5
85.02949	7.3
89.02448	3.0
95.01422	1.0
99.00927	1.0
101.02450	12.1
113.02460	5.6
119.03529	0.7
123.04519	0.9
124.61471	0.6
133.03015	0.7
134.03795	1.0
135.04539	9.5
136.04893	0.9
143.03621	0.7
155.28610	0.5
159.03015	1.5
160.01686	2.8
161.02464	1.6
161.04590	8.2
162.71504	0.7
175.03978	3.0
179.03497	3.4
195.02852	0.7
197.04605	2.6
235.11749	0.6
313.16687	1.4
331.17642	13.0
332.18100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03448	1.1
59.01386	100.0
59.76109	0.4
60.01714	1.5
69.39285	1.1
69.39680	0.7
71.01393	17.3
71.05031	1.0
72.01752	0.7
72.99307	2.3
73.02951	6.9
76.94120	0.4
83.01382	2.8
85.02953	6.9
87.00883	0.8
87.33649	0.4
89.02451	7.7
95.01416	1.6
97.02982	0.4
98.22672	0.5
99.00916	1.2
101.02456	14.0
102.02835	0.5
108.25680	0.5
111.00945	0.6
113.02464	7.3
119.03520	2.9
123.04548	0.6
125.02500	0.7
133.02957	2.0
135.04549	6.9
135.05518	0.6
136.04852	0.6
143.03558	0.9
149.02481	0.8
150.03268	0.5
158.03630	0.4
159.03041	1.0
160.01689	0.5
161.02502	4.9
161.04570	9.0
162.02821	0.9
169.12378	1.2
171.74875	0.4
175.04034	0.7
179.03499	2.0
179.05603	1.1
197.04675	1.6
270.97815	0.4
309.26840	0.4
310.33844	0.4
313.16608	0.9
331.17645	12.2
332.18036	1.4
373.25989	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.3
61.98818	1.0
71.42558	1.2
73.13513	1.0
74.16542	0.9
75.30195	1.0
93.03457	2.3
115.09499	1.2
121.02937	1.2
135.04512	2.9
146.07420	1.1
148.08948	1.4
150.10422	1.5
151.11093	1.0
165.11565	1.7
165.12871	22.5
166.13165	1.7
179.03452	1.5
244.10814	4.8
247.20685	12.1
248.20888	1.6
273.18521	5.8
291.19702	100.0
292.20026	10.7
313.17862	11.1
314.17935	1.7
373.20081	10.9
391.17172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2024
Annotation	Excisusin E
Peak:m/z	Relative Intensity
59.01387	21.1
61.98862	1.4
71.16699	1.5
74.07287	1.2
79.62241	1.3
105.50541	1.3
115.05163	2.5
123.82529	1.4
145.71085	1.4
146.96620	1.5
216.44797	1.4
255.10503	2.0
269.11859	2.7
283.13358	12.4
284.13748	2.0
297.14981	3.2
298.15811	30.7
299.16016	3.8
313.18124	81.5
314.18549	10.2
329.71872	1.3
331.19077	1.8
337.49286	1.6
373.20255	100.0
374.20541	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	373.2026
Annotation	Excisusin E
Peak:m/z	Relative Intensity
51.31187	2.0
59.01388	48.3
139.52573	1.9
201.09213	7.2
231.68947	2.2
267.13870	15.4
278.68198	2.4
280.93576	2.1
281.15500	3.0
283.17075	100.0
284.17435	9.9
291.19525	3.6
301.18332	3.5
313.14655	3.2
313.18124	42.5
314.18475	6.3
331.19229	11.6
373.20175	50.7
374.20493	5.5
391.82703	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53023	7.9
59.01387	39.5
60.80165	10.3
70.72485	13.1
70.96254	7.8
71.01387	9.1
72.99327	40.4
93.03535	8.0
109.02962	30.2
111.59065	7.4
123.04527	17.5
133.02957	29.3
135.04546	100.0
136.04874	11.0
151.04033	9.7
161.02516	56.5
176.04762	7.8
177.01920	15.9
179.03499	25.0
195.57938	8.4
197.04524	12.7
213.04021	21.1
215.10753	23.0
225.09282	9.6
227.57973	8.3
233.08856	7.4
241.08418	8.0
243.10252	16.1
267.06686	21.8
269.08020	8.1
278.19165	8.5
279.06656	10.1
282.08939	20.5
287.09232	13.8
297.11307	43.3
315.56174	8.1
327.12247	28.3
331.17523	11.8
359.39694	7.8
374.09369	11.5
374.67624	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	374.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	46.4
61.98838	11.9
68.82317	3.8
71.01380	8.6
72.99318	8.0
83.15985	3.5
85.02978	3.8
94.03799	4.1
101.02467	4.9
105.03466	7.9
109.02977	17.1
121.02982	13.1
123.04556	41.8
127.39449	3.4
133.02977	25.5
135.04538	45.7
137.02420	17.8
138.02759	7.3
138.93050	3.5
147.04562	4.1
149.02478	3.9
149.06003	5.7
151.04021	100.0
161.02458	65.3
161.06085	7.8
169.88776	3.7
174.99303	13.5
177.01964	7.8
179.03513	19.7
185.06061	4.7
197.04546	5.7
199.07690	5.8
201.01717	4.7
212.05647	5.5
213.04015	7.9
213.09196	6.7
215.10796	26.5
215.95982	3.4
216.89610	3.8
217.00330	63.0
225.09282	11.9
243.10602	5.1
269.08252	11.7
295.06207	4.1
296.92770	4.4
303.01956	3.5
313.07230	6.3
374.11618	7.9
375.07147	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	374.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	94.1
62.48365	25.0
64.64243	24.7
72.99312	40.9
121.49760	24.5
133.02995	46.3
135.04549	77.7
139.04575	22.8
143.78465	26.0
152.25153	24.5
161.02461	100.0
162.02795	34.5
236.63623	23.8
245.38312	27.5
297.01944	34.5
374.26123	51.4
375.27359	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
69.15294	2.1
80.61100	0.3
89.71516	0.3
98.22614	0.6
100.07680	0.3
101.06102	1.3
114.22406	0.3
124.07745	0.6
159.96475	0.4
161.00774	0.3
165.10399	0.5
172.49644	0.3
179.10500	0.4
189.10294	0.7
205.12311	0.3
217.00270	1.6
232.10916	10.4
233.11232	0.8
255.74915	0.3
272.17636	0.5
274.15808	0.3
289.17944	2.1
290.18723	2.9
316.16620	1.5
316.61108	0.3
331.15286	0.6
358.21368	1.3
374.24509	100.0
375.24805	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	374.9924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29397	0.3
59.01384	73.0
60.01716	1.0
60.56504	0.3
61.98856	0.4
69.44574	1.5
70.00482	0.4
93.78814	0.4
96.14523	0.4
132.98196	2.4
156.99947	0.6
174.99260	30.3
175.99590	0.6
201.02556	2.6
202.02783	0.4
217.00310	100.0
218.00681	3.4
374.99219	5.7
375.99673	0.6
385.73328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.0
69.87046	0.5
71.01385	1.7
72.99317	12.9
73.02946	0.6
81.22812	0.6
85.02943	0.8
85.75336	0.5
87.00893	0.8
88.98810	1.0
89.03908	0.6
101.02431	0.8
107.04978	0.9
108.02161	0.8
109.02962	9.5
115.05562	0.8
121.02995	1.2
121.06676	0.6
123.04551	6.2
129.01372	0.6
132.02180	1.9
133.02969	100.0
134.03258	5.2
135.04536	20.0
147.04482	1.2
151.04025	8.4
159.04489	1.1
161.02472	0.8
161.06082	2.6
177.01944	41.8
178.02295	2.0
179.03517	8.2
185.06108	1.7
186.06865	0.9
187.07709	1.5
197.04555	15.3
198.04964	0.7
198.06836	0.8
199.07689	1.4
213.03961	0.7
213.09256	2.7
215.10797	7.2
216.11127	0.9
217.00308	2.0
225.09222	6.1
241.08745	0.7
243.10263	4.3
244.04738	0.6
259.09833	0.7
269.08221	3.7
287.09396	2.4
313.07159	0.7
327.11945	0.7
331.08191	1.1
338.50867	0.6
375.07077	1.9
375.11401	1.0
375.16452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.4
69.03445	0.8
72.99323	1.6
92.77957	0.7
93.03475	0.8
95.05068	0.8
105.03452	2.2
107.05035	0.7
108.53163	0.6
109.02976	5.7
109.30579	0.8
121.02985	0.8
122.03756	2.9
123.04537	31.0
124.04825	1.1
133.02972	18.8
135.04539	16.6
137.02452	2.7
149.06110	1.1
151.04022	100.0
152.04358	4.3
159.04501	1.0
161.02460	52.9
162.02812	2.9
177.01933	2.9
177.05707	0.9
179.03510	17.1
213.04021	4.5
213.09229	1.0
215.10794	2.4
217.00269	3.4
225.09085	1.2
243.10268	1.0
269.08279	2.2
313.07379	3.5
345.06183	1.4
357.58444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55244	0.7
55.81722	0.7
59.01391	3.6
63.54886	0.6
75.67650	0.6
80.21910	0.6
88.03899	0.6
93.03477	1.0
98.21825	1.7
103.00386	0.8
105.03470	2.4
108.02183	0.9
109.02963	4.2
122.03745	2.1
123.04535	34.5
124.04894	1.8
132.02225	1.5
133.02971	16.2
134.03561	0.7
135.04538	16.0
136.04794	0.8
137.02469	2.2
143.25797	0.6
149.02460	0.8
149.06111	1.2
150.03229	1.2
151.04022	100.0
152.04373	4.9
157.70509	0.6
161.02461	52.7
162.02834	2.9
177.01834	0.7
177.05583	1.6
179.03511	20.2
180.03839	1.1
203.03580	0.7
213.04034	6.2
238.18280	0.6
269.08212	1.4
313.06976	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	375.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
62.83675	0.2
70.98124	0.2
72.99306	0.3
89.03996	0.3
91.05545	0.7
98.22658	0.6
107.05044	2.3
109.02972	1.1
117.03486	0.9
132.02135	0.3
133.02982	2.5
134.03767	7.7
135.04543	100.0
136.04857	3.7
137.02415	0.2
139.03917	0.2
148.01688	1.8
150.03236	1.2
161.02460	4.3
165.01915	0.7
165.05580	2.2
174.03235	0.7
178.02733	0.2
179.03516	55.1
180.03880	2.9
181.05048	0.4
217.00383	0.3
233.04565	3.2
234.04886	0.3
299.09259	0.3
307.45920	0.2
313.86581	0.2
343.07944	0.2
374.41702	0.2
375.06378	0.3
375.10864	3.6
375.27551	1.4
376.11292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.3
63.96256	1.2
66.51300	1.1
70.56042	2.1
73.02954	1.2
75.00880	6.4
76.79266	1.1
79.95762	1.5
84.12253	1.1
161.02457	2.2
174.99290	6.3
187.11287	2.2
215.10736	3.8
215.14429	1.3
217.00323	17.3
227.07243	6.1
227.14401	1.6
228.07932	9.4
239.10806	4.7
240.11429	3.1
242.09518	7.1
243.10272	100.0
244.10612	8.3
253.12349	6.9
255.13928	28.2
256.11072	22.1
256.13965	1.7
257.11349	2.9
271.13422	54.7
272.13696	6.0
281.11792	5.3
299.12936	10.6
313.14493	4.6
357.13535	2.0
375.14014	5.6
375.18768	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.2
69.08463	1.8
69.08865	5.7
70.68092	1.1
71.01395	11.6
77.14115	0.9
80.91707	2.7
89.03218	1.0
89.49409	0.9
95.18984	1.1
98.22716	2.0
99.92623	1.3
120.12599	1.2
164.08455	1.5
174.99303	4.2
177.09235	4.4
190.10117	2.0
190.36755	1.2
192.11566	8.6
205.12338	3.6
217.00342	17.2
218.09537	3.1
220.14726	40.9
221.15495	100.0
222.15869	8.9
228.11510	4.3
236.10574	87.4
237.10944	7.3
245.45078	1.3
251.10750	3.3
252.35269	1.1
293.17627	41.9
294.17993	4.5
295.09897	2.1
317.74026	1.3
318.09555	8.9
321.15540	2.6
344.19016	1.1
358.09131	1.3
375.17703	6.6
375.21884	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27654	0.7
71.04328	0.8
74.99064	2.7
93.27152	0.6
107.16696	0.6
149.00974	1.3
157.00809	0.6
159.08501	11.4
161.06377	2.3
192.98163	0.9
209.01314	2.8
217.07272	1.6
277.07513	2.1
289.07666	1.4
291.09140	100.0
292.09274	12.1
302.61499	0.7
307.01553	0.7
309.10181	0.8
343.11609	0.7
357.13712	2.6
359.15396	94.3
360.15561	15.4
375.18478	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	375.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82734	0.8
57.99110	0.7
71.30681	1.1
74.99088	3.5
93.00140	1.6
96.46780	0.7
110.81755	0.9
159.08495	11.8
161.06447	1.9
209.01331	2.1
217.07262	1.8
267.94266	0.9
277.07556	2.6
289.07462	2.2
291.09146	89.4
292.09286	11.6
353.48804	0.9
359.15408	100.0
360.15555	15.2
375.18546	6.2
376.18713	1.5
377.16623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36838	0.7
59.01385	100.0
59.80336	0.7
61.98838	5.2
69.38834	3.4
71.01406	2.1
71.66398	0.6
85.02934	1.1
98.22561	1.1
101.02465	2.0
113.02448	1.2
118.18349	0.8
121.77747	0.6
133.02994	1.4
133.41153	0.6
139.00374	0.8
139.61766	0.7
151.03983	0.8
161.02483	7.5
161.04626	1.2
167.28967	0.7
179.03546	0.9
273.20483	0.7
294.44037	0.8
313.07339	1.1
315.18216	1.8
354.04996	0.8
354.48679	0.8
375.27521	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	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
57.03436	0.9
58.00589	0.8
59.01386	63.8
60.01733	0.7
63.79257	0.6
69.16109	1.4
69.16541	1.7
71.01388	25.7
72.99323	1.9
73.02959	1.4
83.01391	2.0
85.02953	6.4
87.00894	0.8
89.02454	22.1
91.64954	0.5
95.01405	1.6
95.11597	0.5
98.22639	0.9
99.00926	0.5
101.02451	15.5
113.02459	8.8
119.03509	7.6
123.08138	1.5
127.29298	0.6
129.07469	0.5
133.02928	1.2
135.04552	4.2
143.03477	0.6
146.38724	0.5
151.07661	1.2
161.02452	3.1
165.10713	0.5
169.08708	7.6
179.03595	1.2
181.05161	0.6
183.13991	0.6
195.13928	9.8
196.14229	1.1
200.17628	0.6
213.07684	10.6
213.09605	0.8
213.14922	3.4
214.08037	0.6
374.10074	0.6
375.20264	100.0
376.20572	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	375.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19078	3.7
51.84946	3.3
59.01387	59.1
61.98824	7.6
74.81393	4.7
77.14204	3.4
78.45005	4.1
85.63358	3.3
86.43485	3.6
97.12310	3.4
98.22652	15.7
119.12064	4.0
121.10231	23.2
171.10277	61.3
172.10570	5.2
173.41966	3.8
174.99232	15.5
190.64368	3.8
217.00302	29.9
231.21272	6.2
275.20221	100.0
276.20477	11.0
278.11441	7.1
293.18213	6.4
293.21271	80.7
294.21625	9.2
315.19440	45.6
316.19727	4.3
327.94293	4.7
358.30109	4.3
375.21375	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76531	4.4
59.01387	58.4
61.98830	16.8
70.60683	6.4
76.72722	4.9
95.05051	31.1
133.02966	7.3
161.02493	23.7
174.99269	14.2
186.02950	6.4
195.13947	8.6
217.00327	46.0
223.13370	8.3
246.12410	23.5
275.20166	6.9
278.11374	55.9
293.21259	100.0
294.21503	8.7
313.07028	7.7
315.19531	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	375.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01170	1.1
59.01388	11.7
61.98828	1.8
63.94807	1.2
69.09512	1.2
77.28133	1.2
80.53646	1.4
96.96066	1.4
114.14881	1.4
125.09709	2.7
141.12866	1.5
156.63654	1.3
185.11867	5.2
192.26212	1.3
217.00278	4.2
232.07416	1.4
254.88312	1.4
259.49835	1.3
293.21274	56.2
294.21524	3.9
298.12051	3.2
306.00159	1.2
313.14478	100.0
314.14786	10.7
315.19412	20.9
316.19577	2.3
321.67258	1.4
328.13058	2.6
328.16797	45.9
329.17181	8.7
343.19095	16.0
344.19638	2.9
375.21704	15.0
376.21976	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2181
Annotation	Methyl ent-16-acetoxy-8-oxo-8-desmethyl-6,13E-labdadien-15-oate
Peak:m/z	Relative Intensity
57.65565	0.5
59.01385	2.1
61.98824	0.8
63.87184	0.5
71.18623	0.5
72.73408	0.4
89.69534	0.4
144.41383	0.4
154.37215	0.4
174.99220	1.5
201.09227	1.0
214.10007	2.7
215.10788	23.1
216.11153	2.3
217.00296	3.3
217.12376	3.7
228.11320	0.6
241.12483	0.7
245.45468	0.5
269.15417	1.3
283.17044	4.4
284.17642	1.1
311.16629	2.6
326.07043	0.5
343.19162	100.0
344.19501	14.9
344.23749	0.6
345.20749	1.4
356.78333	0.5
375.21759	18.8
376.22058	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	375.2181
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
59.01388	47.0
61.98827	0.7
87.74656	0.4
120.21619	0.4
123.08221	0.5
136.05273	0.5
142.24503	0.4
148.81816	0.5
156.30913	0.4
161.02478	0.5
164.08449	2.8
165.09219	1.0
174.99232	1.8
178.09999	3.9
179.10800	21.6
180.11133	1.2
191.10794	1.7
210.08987	1.6
217.00314	5.1
254.85753	0.6
285.18790	0.5
297.18619	1.3
315.19675	38.3
316.19955	4.7
333.20770	3.5
357.20844	5.2
358.20990	1.0
375.21802	100.0
376.22122	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	376.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40539	1.2
50.96207	1.2
61.98837	78.0
63.83334	1.3
100.07655	1.5
111.97084	1.3
123.04520	4.2
133.02979	21.5
133.03903	2.5
135.04472	1.6
151.04073	6.3
157.00032	1.6
161.02463	100.0
162.02840	5.8
205.98256	1.5
261.42401	1.4
277.17709	1.5
282.39917	1.5
313.07248	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	376.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	45.7
63.82515	0.3
69.65401	0.6
69.65750	1.1
71.95559	0.3
109.02947	0.5
123.04550	2.5
132.02139	0.9
133.02975	19.5
134.03317	1.0
135.04573	0.7
150.03246	1.0
151.04007	5.1
161.02463	100.0
162.02809	5.1
162.04047	0.6
163.04008	0.4
223.29546	0.4
269.08200	2.0
270.08710	0.4
294.62442	0.3
313.07199	16.0
314.07446	2.2
371.17310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.0
61.98838	100.0
70.32703	3.5
86.85275	1.5
109.30186	2.1
140.46867	1.7
161.02446	2.6
217.00354	2.2
218.00731	2.1
252.11232	2.0
259.78140	1.8
262.42627	2.0
283.13486	3.1
284.14017	2.0
313.14453	9.6
314.14969	7.6
315.15967	3.3
331.15512	5.4
332.16376	8.5
344.16150	2.1
345.17252	4.8
358.13779	4.5
361.16577	14.7
362.17371	82.3
376.14975	4.0
377.19727	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.98768	7.6
71.01389	31.9
73.02962	10.5
85.02959	25.1
95.01395	9.7
99.00883	11.2
101.02463	12.2
113.02474	26.0
124.09854	7.0
133.75232	6.6
135.04512	16.6
158.57542	7.9
161.02455	19.8
161.04616	9.7
203.10617	8.3
226.60385	8.9
231.10257	17.2
319.14664	12.1
331.39670	7.6
335.16031	9.9
376.28104	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	377.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	33.5
69.70916	3.6
70.79918	5.4
71.01395	18.1
72.99310	37.2
85.02946	4.8
89.02457	36.2
101.02460	14.0
113.02461	7.8
114.12318	3.6
119.03526	11.2
123.04542	12.9
133.02972	18.1
134.03793	6.0
135.04549	100.0
137.02443	5.0
161.01134	5.6
161.02464	98.8
161.04491	4.9
161.81992	3.5
162.02855	5.5
179.03555	27.6
179.05603	18.5
191.01997	5.2
197.04576	38.6
215.03345	13.5
310.30484	3.5
316.99207	4.8
341.10889	77.1
342.11432	6.5
347.07773	6.2
359.07800	7.4
377.08557	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	377.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20011	0.5
72.99317	17.3
88.97250	0.5
98.22712	0.8
107.05041	0.7
123.04535	8.1
132.02161	0.5
133.02979	18.8
134.03743	1.5
135.04547	29.0
136.04848	1.1
137.02466	7.0
137.14075	0.4
161.02466	100.0
162.02809	4.3
174.48811	0.4
179.03520	14.8
180.03786	0.5
197.04575	24.7
198.04967	0.9
224.67476	0.5
235.13815	0.5
316.09286	0.5
327.40894	0.6
359.07767	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	377.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24970	0.4
54.23957	0.5
62.45778	0.4
66.33077	0.4
69.31005	2.0
72.99312	22.7
91.05545	0.6
95.05004	0.5
107.05030	1.0
109.02959	1.2
123.04535	10.5
132.02110	0.7
133.02971	21.3
134.03824	3.8
135.04539	54.2
136.04863	2.5
137.02466	6.0
151.04019	0.7
161.02457	100.0
162.02782	5.8
179.03505	17.4
179.06851	0.5
180.03786	0.6
197.04562	30.7
198.04941	1.3
206.83711	0.4
218.56552	0.4
259.46423	0.5
309.92752	0.4
310.77814	0.4
359.07773	7.0
377.08606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35744	0.4
55.50351	0.4
58.47578	0.4
59.01377	1.9
65.93605	0.4
69.03474	0.5
69.30614	0.4
71.01403	1.4
71.05024	3.1
72.99309	1.1
85.02959	6.1
89.02447	0.8
97.02964	15.4
101.02463	0.4
107.05100	0.5
108.43533	0.4
109.02971	0.7
111.08235	0.7
113.02416	0.7
115.04026	100.0
116.04350	2.6
123.04482	0.6
133.02162	0.4
133.02957	2.3
134.03745	0.9
134.56691	0.4
135.04546	14.2
136.04839	0.8
149.02446	0.4
150.03238	1.5
151.04050	0.8
161.02475	4.9
165.05585	1.3
173.08170	0.9
177.02014	0.4
179.03555	2.4
189.01669	0.4
191.00348	0.7
196.62938	0.4
197.04674	1.1
215.09251	1.7
216.98286	0.4
235.87102	0.4
309.04462	0.7
353.03180	0.7
359.07764	0.5
377.18195	0.7
397.02258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1608
Annotation	Gibberellin A125
Peak:m/z	Relative Intensity
59.01396	0.8
60.62992	0.5
69.13954	3.0
72.99297	0.8
87.04507	1.4
95.05016	0.6
107.05019	0.6
123.04538	0.8
133.02966	2.8
134.03748	2.1
135.04539	29.0
136.04840	1.9
137.06082	0.8
150.03206	0.5
151.03909	0.9
161.02461	2.0
177.01942	0.7
179.03566	2.8
186.06819	0.6
190.06349	0.6
191.00294	1.1
193.47327	0.6
197.04521	0.9
199.07590	1.0
200.08434	1.8
201.09190	1.3
208.39099	0.6
213.09224	18.6
214.09669	1.3
215.07239	1.5
215.10802	1.9
227.03467	0.8
227.08243	1.7
227.10786	2.9
228.04327	2.5
228.11546	0.8
229.08734	0.9
229.12337	10.0
230.12799	0.7
234.99342	0.8
241.12479	0.9
242.10687	1.4
243.06616	3.7
243.10471	1.1
244.07042	0.7
245.08138	1.2
251.10779	2.0
252.11525	1.6
253.12276	2.2
257.08188	0.6
257.12997	6.6
258.08994	0.7
258.13193	0.9
267.13885	2.1
285.14990	83.5
286.15341	8.9
287.16498	1.7
295.12134	0.9
307.02884	0.7
309.04443	0.8
315.13278	0.5
315.16043	20.9
316.16449	3.2
333.17096	43.8
334.17468	6.0
345.10825	0.7
351.02084	1.1
353.03607	1.5
359.14999	1.0
377.16077	100.0
378.16437	11.8
395.00970	1.7
397.01929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1609
Annotation	Gibberellin A99
Peak:m/z	Relative Intensity
57.27258	0.9
57.27544	0.9
58.20232	0.9
59.01394	1.2
59.42908	1.0
61.58519	0.9
72.99313	1.4
79.99483	0.9
87.00882	3.7
89.94230	1.1
133.02994	1.2
135.04536	5.9
161.02449	3.6
179.03474	1.6
198.06870	1.7
211.07726	4.1
241.12451	6.9
251.10815	4.8
252.11546	3.9
267.13916	92.3
268.14285	8.8
269.08295	3.4
283.13565	1.2
285.15054	8.0
289.14523	10.7
290.14746	1.3
297.15036	7.5
315.16034	53.2
316.16434	5.7
331.15762	1.7
333.17014	2.9
359.15015	65.9
360.15338	8.0
377.16080	100.0
378.16385	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	377.1973
Annotation	3beta-Angeloyloxy-5alpha-hydroperoxycostic acid methyl ester
Peak:m/z	Relative Intensity
56.97808	1.4
59.01381	1.5
61.98832	11.4
65.65497	1.1
69.90143	1.3
71.24529	1.9
73.84063	1.3
80.14810	1.6
115.89025	1.4
135.04539	3.2
150.73270	1.4
152.87888	1.4
172.79465	1.6
207.56606	1.4
215.10960	1.6
219.97844	1.7
231.06798	2.0
249.07779	2.1
258.03870	1.3
284.14255	5.3
314.15250	3.7
315.15933	3.2
316.13196	2.4
331.15698	7.3
332.16302	13.7
333.16736	1.7
345.17130	6.2
361.16513	11.9
362.17358	100.0
363.17596	13.2
377.19724	76.0
378.19995	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1975
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
51.19915	1.1
59.01395	2.0
59.36758	1.3
61.98834	5.0
69.24982	6.9
75.82885	1.0
83.87503	0.9
87.04514	2.2
98.21843	2.5
135.04524	2.6
137.06084	1.4
161.02480	2.5
165.05600	4.4
165.09221	4.3
166.06351	12.7
167.07063	1.9
176.04837	2.1
176.08488	2.6
177.09135	1.2
189.05603	1.8
191.10800	25.3
192.11229	1.6
193.08664	3.7
197.04082	1.2
201.09129	1.7
204.07878	3.6
205.08522	1.6
206.20923	1.3
208.07405	1.8
209.88522	1.3
217.08704	1.2
219.10283	24.7
219.97818	1.6
220.10693	2.3
231.10248	3.5
271.13507	2.4
287.16336	1.1
327.16315	1.3
344.16190	1.3
353.76666	1.3
359.18582	3.6
377.19714	100.0
378.20068	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	377.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	26.8
61.98829	2.0
62.08960	1.5
71.40621	1.7
96.96011	6.9
99.92584	2.3
106.83524	1.4
133.03038	1.3
137.18208	1.6
171.10304	31.0
172.10686	1.5
183.10330	1.8
235.09743	1.7
265.14838	11.9
277.21765	40.1
278.22168	4.2
295.22824	100.0
296.23126	11.3
317.21017	34.5
318.21323	4.3
361.20068	2.7
377.23190	23.2
378.23120	3.0
387.66562	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	378.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.5
61.98836	100.0
65.11582	1.0
70.70282	1.6
72.99300	2.7
79.39246	0.8
86.67908	0.9
89.02451	1.5
123.04506	1.5
135.04565	5.0
136.04855	3.1
161.02467	5.5
162.02783	7.9
175.04036	1.0
179.03470	1.7
180.03798	1.2
188.77031	0.9
197.04561	2.4
198.04893	1.5
268.77075	0.9
379.04419	1.7
379.16180	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	378.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27866	1.3
59.01383	4.0
61.96203	1.9
61.98836	100.0
72.12980	1.3
88.87031	1.4
89.02441	2.2
91.07146	1.2
118.29908	1.5
135.04588	2.5
161.02498	2.4
162.02809	2.3
164.83636	4.4
174.66801	1.7
180.62263	1.6
219.97751	2.4
224.25752	1.4
341.10928	1.8
378.08795	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	378.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.0
61.98839	100.0
68.72163	1.6
71.01382	7.2
89.35329	1.5
98.22641	3.6
100.92729	1.5
101.98099	6.5
109.88785	1.5
135.04509	3.2
177.09203	2.3
179.03517	2.6
192.11577	5.6
200.67784	1.7
205.12335	2.8
217.22226	1.7
219.97794	2.4
220.14711	41.2
221.15472	65.9
222.15808	6.5
236.10564	52.8
236.12387	0.9
237.10902	6.2
275.16580	7.5
293.17593	14.5
294.18073	3.3
305.12491	4.2
306.13239	2.6
360.14297	4.0
378.15375	45.1
379.15503	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	378.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18016	7.1
59.01374	10.6
61.98836	100.0
65.40710	6.1
74.66835	6.9
98.22686	15.7
117.74362	8.4
135.04526	9.1
139.43729	8.6
141.18452	6.6
257.44626	8.4
398.60474	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	378.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29871	3.9
56.79264	3.6
59.01370	4.3
61.98837	100.0
62.86951	3.6
66.58643	3.8
67.46613	4.5
71.42291	5.1
94.03889	4.5
97.71292	3.7
145.62651	3.6
158.95717	4.0
206.08272	3.9
239.07072	4.5
315.19617	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	379.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.7
59.89010	9.4
59.93692	10.0
64.42944	8.4
71.36844	8.2
72.99310	27.5
85.11075	8.7
92.74756	8.7
93.81449	8.8
99.19636	8.9
117.03497	12.8
133.02974	14.9
135.04547	100.0
145.02974	82.1
161.02504	48.9
179.03519	40.0
181.04982	16.5
197.04570	37.5
212.13263	9.7
231.27014	10.3
343.08102	18.9
378.99872	9.0
379.15433	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	379.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72278	0.5
55.01883	4.5
59.01382	5.2
64.99120	0.5
67.01891	0.7
69.03465	100.0
70.03478	0.6
70.03790	2.9
71.01384	2.8
72.99309	2.1
73.02958	2.5
74.09464	0.5
79.01900	3.1
79.52808	0.5
83.01427	0.5
85.02970	0.9
89.02462	1.7
95.01411	1.6
97.02962	19.8
99.00890	24.7
99.04558	0.7
101.02484	1.4
107.05093	0.6
113.02456	0.7
115.04010	0.8
117.03515	0.8
117.05608	6.0
119.03535	1.3
133.03017	1.4
134.03754	6.4
135.04558	9.5
136.04895	1.3
141.01952	8.8
142.02364	0.8
151.04002	0.8
161.02473	2.4
167.25066	0.6
170.23706	0.5
178.02751	1.2
179.03552	1.7
185.00937	37.3
186.01282	2.1
193.05037	3.6
197.04524	0.8
203.02101	0.7
236.85721	0.5
279.10529	1.0
293.12564	0.6
337.00504	0.6
360.71982	0.5
379.07193	2.9
379.17319	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	379.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82015	0.6
59.01382	6.8
62.64447	0.6
70.60707	0.6
71.01385	1.7
77.59413	0.5
79.95742	1.8
80.96534	1.6
85.02930	0.9
89.02448	1.5
96.47903	0.6
96.96021	96.9
101.02459	1.0
109.03062	0.7
113.53354	0.6
119.05064	0.7
133.02913	0.6
135.04515	2.8
174.78096	0.6
179.03514	1.3
241.00252	1.7
288.29669	0.6
379.07068	100.0
380.07434	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	379.0828
Annotation	Chinensinaphthol
Peak:m/z	Relative Intensity
61.98821	1.1
69.26140	0.8
69.26913	2.0
69.27321	2.1
70.11857	0.7
87.47934	0.9
131.05266	0.8
151.58572	0.8
170.25031	0.8
205.06613	1.2
219.04453	6.2
221.06155	1.6
225.02928	0.9
231.26498	0.8
232.05331	3.4
233.06038	4.0
234.06889	2.7
245.06088	1.8
246.06917	1.3
247.04033	15.0
247.07623	2.8
248.04742	6.4
248.08447	7.3
249.05551	5.2
249.09219	5.8
253.05069	1.1
258.03180	3.7
260.04791	9.1
261.05554	14.4
262.06390	7.1
263.07123	3.2
264.07693	0.8
273.05533	8.1
274.06314	3.2
275.00754	1.7
275.03586	23.6
275.07007	3.3
276.04288	25.7
276.07736	2.4
277.04984	10.1
277.08652	4.0
288.04324	2.9
289.05115	35.6
290.05807	33.1
291.06616	16.1
292.07349	5.2
293.08112	1.9
302.05966	1.1
304.03799	48.6
304.07422	14.9
305.04480	18.8
305.08167	13.9
306.05017	2.0
306.08884	2.9
308.06891	2.4
319.06143	70.0
320.06738	15.3
321.04053	1.6
321.07492	1.2
334.08456	12.2
335.09164	6.1
336.06433	3.3
338.08002	1.2
349.35242	0.8
364.05911	19.2
365.06247	1.0
365.15039	0.9
366.07477	17.8
367.07858	1.5
379.08258	100.0
380.08649	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	379.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
70.95905	1.9
74.18104	1.4
89.91475	1.2
99.92618	1.8
108.61826	1.4
125.57727	1.3
140.03943	1.2
160.42868	1.6
183.07529	1.4
216.45467	1.2
238.06277	1.9
239.10803	2.0
251.07333	1.7
251.10791	6.7
265.08658	2.5
266.09494	25.1
267.10281	15.0
269.11945	6.1
278.09421	5.8
279.10199	7.2
296.10587	19.5
297.11371	100.0
298.11777	10.6
349.09430	1.6
362.02100	1.4
380.03772	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21533	0.7
52.66854	0.7
54.76554	0.7
61.98833	2.7
65.64995	0.7
65.70702	0.6
70.49055	0.8
70.49394	0.9
96.96043	1.2
116.92896	1.1
122.97141	0.7
160.54169	0.8
166.57765	0.7
189.69693	0.8
238.01204	0.7
239.21542	0.8
253.12315	1.2
254.13120	1.8
269.15494	28.4
270.15845	2.7
282.12570	2.8
294.18109	1.2
297.14990	100.0
298.15353	12.9
368.71750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
55.36562	1.3
57.03455	100.0
58.03778	1.9
59.01385	96.2
62.07180	1.6
69.03465	2.8
69.71752	5.2
71.01380	11.9
73.02962	6.4
81.03442	2.4
83.01392	4.3
85.02946	5.6
89.02451	3.7
99.00880	2.3
99.04529	83.7
100.04890	2.1
101.02451	24.9
113.02464	5.3
116.92870	5.1
119.03514	1.5
125.02460	25.1
133.02965	3.0
135.04535	11.7
155.10791	2.7
157.08815	1.6
161.02460	3.5
161.04533	6.8
179.03560	2.1
179.05653	1.4
199.09760	1.7
217.10818	5.4
235.11874	17.4
247.11887	2.3
379.16293	7.2
379.23407	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	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83236	1.6
57.03454	99.2
59.01385	100.0
70.09593	4.7
71.01386	8.7
73.02959	6.3
77.21185	1.7
83.01407	2.8
85.02969	6.2
87.17526	1.7
89.02465	4.3
94.69354	1.6
99.04530	79.7
100.04879	2.8
101.02455	29.7
109.02992	3.0
109.06639	1.9
111.04492	1.9
113.02464	5.2
113.36424	1.8
119.03516	2.2
123.04534	5.3
125.02453	29.8
133.02980	4.4
134.03755	4.8
135.04538	39.1
136.04910	2.1
143.03561	3.1
151.04039	17.9
155.10779	7.3
161.02460	2.9
161.04597	4.4
177.02016	2.5
179.03549	11.7
181.05139	3.4
199.09799	13.1
215.56573	1.8
218.04240	2.4
235.11890	18.6
236.12320	2.0
291.06433	5.8
292.06961	2.1
379.17136	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	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71870	1.0
55.01893	1.2
55.69456	1.0
57.03454	98.2
58.03788	2.0
59.01385	100.0
59.84254	1.0
69.03475	2.9
69.26601	6.5
71.01386	13.8
72.99323	1.5
73.02967	6.4
81.03476	1.5
83.01427	2.5
85.02953	8.1
87.00878	1.3
89.02459	7.8
96.43678	1.1
99.00891	6.5
99.04532	69.5
99.92554	2.4
100.04862	1.6
100.93387	1.8
101.02461	27.7
113.02483	5.8
115.92133	1.1
116.92879	15.2
119.03495	4.2
125.02457	24.6
126.02808	1.0
134.03767	1.4
135.04512	4.7
136.04843	2.0
143.03548	2.9
145.02925	1.5
147.06627	6.6
149.04514	1.7
155.10765	1.9
161.02483	1.6
161.04523	5.1
176.95306	1.1
179.03514	1.3
181.66505	1.1
191.05643	2.6
199.09760	3.2
217.10818	2.2
232.92818	1.0
235.09706	1.7
235.11867	16.5
247.11870	3.7
277.12842	1.1
379.16132	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	379.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.30717	0.7
69.76202	2.6
70.29281	0.8
82.57611	0.7
91.35637	0.8
96.69249	0.6
112.51957	0.7
133.02998	1.3
135.04550	3.8
161.02431	4.8
179.03563	2.4
213.16064	0.8
358.34558	0.8
379.04810	0.8
380.07758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
71.17078	0.3
79.95744	2.2
85.26275	0.2
96.96021	100.0
97.95937	0.4
109.50539	0.2
116.92659	0.2
130.70847	0.2
142.02507	0.2
147.15991	0.2
225.28662	0.2
259.01776	0.3
302.66272	0.2
314.98138	0.2
331.15625	0.4
379.21628	40.0
380.22034	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	380.1566
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
53.86526	0.9
59.01384	23.3
61.89210	1.1
61.98792	1.4
69.81014	3.9
69.81363	1.0
71.01389	35.9
71.05027	7.0
73.02954	2.7
74.18366	1.0
75.00854	1.5
75.24254	1.0
83.01403	1.4
85.02977	3.9
85.06609	2.6
87.00912	1.4
88.04052	4.4
89.02461	9.3
99.04546	2.4
101.02462	8.1
113.02470	5.5
113.74612	1.1
116.07272	1.2
119.03497	2.7
123.96090	1.0
128.07210	2.7
129.05553	1.6
131.07208	5.2
146.08246	51.9
147.08611	1.6
153.41910	1.3
161.04602	2.4
208.73163	1.1
217.00450	3.2
218.10262	1.2
249.06219	1.6
267.06210	1.1
308.13565	5.7
362.14642	2.2
380.15662	100.0
381.15463	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44369	5.3
52.41163	6.3
59.01381	8.6
61.98833	100.0
64.87957	4.7
65.98589	5.1
69.39761	25.0
75.08304	4.6
117.15723	4.7
135.04506	7.5
217.00227	7.2
218.64874	5.2
265.12238	4.3
299.16736	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	381.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23909	0.8
58.08928	0.8
59.01385	87.2
69.73756	1.7
71.01405	0.9
78.95904	1.3
98.22556	1.3
124.59309	0.8
135.04550	1.2
137.82828	0.8
141.00464	2.7
141.01723	2.7
156.99973	1.2
157.03613	7.2
158.03740	0.9
159.01431	1.9
174.99297	3.7
183.01408	1.2
201.02573	100.0
202.02757	9.3
217.00323	17.7
218.00610	1.0
222.99460	1.4
283.02686	3.7
284.02576	0.9
293.84018	0.9
299.00864	1.4
300.09534	1.4
343.11542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24980	0.6
59.01389	2.9
59.69108	0.5
68.66975	0.6
70.07256	1.5
73.79799	0.5
85.83538	0.7
95.64703	0.6
99.92597	12.7
100.92725	0.5
100.93375	9.8
115.91312	1.0
115.92099	13.7
116.23201	0.6
116.92879	100.0
117.92899	6.4
117.93667	1.0
135.04546	1.6
140.65163	0.5
174.99265	1.1
179.03513	0.7
195.92796	0.6
217.00357	5.3
219.02780	1.2
233.09691	0.8
235.07655	1.7
236.08304	0.9
249.09213	1.8
250.09918	1.3
251.10808	9.2
252.11079	1.0
263.07208	1.4
265.08716	1.5
277.08798	1.0
278.09500	0.7
279.10300	14.7
280.10776	1.3
332.01541	1.4
333.02405	2.2
334.03159	1.8
335.00156	0.8
347.00031	0.8
348.00537	0.7
350.02664	1.3
351.03360	5.0
362.02600	6.9
363.03317	16.6
364.03683	2.9
381.04367	2.2
382.04684	0.6
395.02884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10969	1.2
51.26595	1.2
59.01384	1.5
59.96717	2.9
61.98828	4.0
63.44680	1.1
71.17844	2.0
74.99077	25.2
91.02220	44.3
93.00145	16.9
134.03677	2.5
135.04546	14.4
136.04901	1.6
136.07346	1.4
159.08482	100.0
160.08638	6.0
161.06427	10.2
169.90761	1.5
179.03555	10.5
201.01715	4.6
205.01225	3.4
219.02835	7.5
297.43451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52804	16.9
58.67090	17.2
59.01376	16.5
69.89137	56.6
72.37599	15.8
75.15224	16.2
98.22622	17.4
109.66842	17.1
125.98315	16.7
135.04561	82.6
161.04654	19.5
164.31537	15.5
179.03583	38.6
201.01649	28.9
219.02785	31.5
345.17111	55.3
355.96481	17.7
381.14828	100.0
381.19037	24.3
396.08011	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	381.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07919	0.8
59.01379	2.2
64.27860	0.8
69.23907	4.9
73.09962	0.7
74.83881	0.8
77.03953	1.1
77.29568	0.8
79.95745	29.4
80.96527	8.5
105.22717	1.0
135.04573	2.4
179.03574	1.0
194.24179	0.9
217.00317	3.4
219.02798	1.3
277.76981	0.8
301.21753	62.9
302.22043	6.3
324.92273	0.8
337.18652	1.0
381.17435	100.0
382.17749	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	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	7.9
57.03459	5.2
59.01384	51.2
62.51486	0.8
67.43745	0.8
69.03450	2.0
69.73062	3.1
71.01387	50.8
72.99303	1.5
73.02951	37.5
75.00871	1.4
81.03489	0.9
83.01402	13.1
85.02955	33.0
86.00107	1.6
86.03347	0.9
87.00895	3.9
89.02451	10.5
95.01394	3.6
97.02954	2.6
98.22611	1.6
99.00891	10.7
100.01238	0.9
101.02455	62.6
102.02798	1.4
111.00888	1.7
113.02451	20.4
114.02800	1.1
115.04015	2.6
125.02448	3.6
129.01968	1.8
131.03532	3.5
135.04546	2.3
143.03500	2.7
159.03006	3.5
161.04564	16.6
179.03619	0.8
181.01987	0.8
185.24501	0.9
233.06659	2.0
247.58186	0.8
249.13448	100.0
250.13753	5.9
293.08972	1.3
373.75171	0.9
381.17679	80.1
382.18060	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	381.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.18614	0.9
57.03440	1.3
58.00577	1.0
59.01387	70.2
60.01706	1.0
64.39465	0.8
69.87269	0.7
71.01394	31.2
71.43921	1.1
72.99315	2.8
73.02945	1.4
83.01382	2.6
85.02972	6.6
87.00883	1.1
89.02455	29.0
95.01408	2.7
96.72572	0.8
99.92592	1.7
100.93378	0.9
101.02464	24.2
102.40298	0.9
112.72824	0.8
113.02461	11.6
116.92883	6.6
119.03511	14.9
119.04869	0.8
127.11264	0.9
133.02946	1.6
134.03757	1.1
135.04524	2.6
143.03514	1.2
144.76744	0.9
149.04601	1.1
155.10829	1.4
161.04570	1.6
177.01926	5.6
179.03404	1.0
179.05669	1.2
201.11320	4.7
217.00285	1.4
219.00620	1.4
219.12463	1.9
381.17700	100.0
382.17978	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	381.1924
Annotation	Viguilenin
Peak:m/z	Relative Intensity
51.51220	0.7
58.00586	0.6
59.01383	1.4
69.03452	1.7
73.02968	1.0
84.89182	0.6
98.21896	1.7
107.04907	0.6
123.04535	0.9
135.04539	3.5
135.08209	0.8
137.09731	3.0
168.78925	0.6
179.03503	0.9
191.14621	0.6
201.01666	0.6
217.15994	0.9
245.19136	2.3
257.15347	0.7
257.19180	1.3
263.20282	1.0
273.18619	0.9
275.20135	1.4
282.59875	0.6
291.19489	0.8
309.20642	0.6
335.18610	1.1
337.20230	36.9
338.20532	3.8
381.19223	100.0
382.19556	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	381.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.1
73.88704	1.0
120.77797	1.0
124.48264	1.1
135.04539	5.6
151.11247	1.9
153.12839	3.3
163.11284	1.5
165.12897	1.8
170.05898	2.2
178.33136	1.1
179.03499	3.8
179.10803	13.4
181.12364	39.1
182.12723	1.6
195.10283	2.6
195.43544	1.1
197.11823	3.3
199.13416	100.0
200.13734	7.4
201.01726	2.5
215.12894	2.3
219.02823	4.5
356.58762	1.4
363.25522	4.7
381.06607	1.7
381.11307	4.5
381.26544	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	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91206	1.6
59.01390	3.5
61.98812	1.5
70.43149	2.5
70.43479	1.8
106.32799	1.7
123.04606	1.8
135.04530	7.8
141.60854	1.6
150.03166	1.6
152.51579	1.5
156.10999	1.7
170.05840	2.6
179.03526	4.2
201.01645	2.4
217.00314	3.6
219.02811	7.1
233.19116	1.9
277.18109	73.6
277.21173	3.9
278.18488	5.3
279.19672	24.1
280.19894	3.2
295.19168	100.0
296.19547	9.3
363.25488	17.2
364.25598	3.4
381.26593	4.9
382.27353	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	382.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20167	0.7
58.01759	0.6
61.98835	1.8
63.14840	0.6
63.43248	0.7
65.14960	0.7
66.39413	0.6
69.62261	1.4
69.62641	1.2
92.11893	0.8
93.63638	0.7
101.01336	0.7
101.59305	0.7
111.17839	0.7
115.08559	0.7
124.48610	0.7
163.11299	3.3
195.08327	0.7
237.09229	0.8
238.06375	3.6
239.07016	0.9
239.10854	3.2
240.07977	1.5
249.09193	1.0
249.37280	0.8
250.09822	0.7
251.10803	6.2
264.07892	0.9
265.08704	2.4
266.09494	27.2
266.12372	1.5
267.10199	19.2
268.10553	1.6
269.11942	4.1
278.09476	5.1
279.10242	8.6
296.10587	18.8
297.11334	100.0
298.11697	10.8
382.08881	2.2
382.27582	2.2
400.62997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
55.01881	5.9
56.85427	0.7
65.67374	0.6
67.77150	0.8
69.03465	100.0
70.03788	2.6
70.28929	0.7
70.74255	0.9
72.99319	1.7
79.01895	4.5
84.15118	0.6
90.06284	0.7
95.01414	1.5
97.02963	19.0
99.00893	24.5
113.02552	0.8
121.02985	2.8
122.35702	0.7
123.00910	1.3
134.03792	0.7
135.04544	11.0
141.01961	11.3
153.05615	1.8
162.84311	0.6
179.03529	14.1
182.02235	0.8
185.00934	44.3
186.01291	1.9
197.04602	3.8
203.01976	1.2
283.42432	0.7
383.06052	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	383.0776
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
68.99830	1.9
69.13910	3.3
69.14330	2.4
74.83849	1.0
82.90335	1.0
93.13561	0.8
93.61328	0.8
93.86987	1.0
98.21870	2.0
102.68668	0.9
119.05028	1.3
121.02972	100.0
122.03296	2.8
129.23903	0.8
130.57384	0.9
134.44389	1.0
147.04478	1.0
149.02483	2.4
181.06606	3.6
191.03496	9.1
217.05125	1.2
225.05582	7.4
227.99469	0.9
251.07213	4.4
295.06180	9.7
311.09293	14.6
313.07242	18.3
314.07523	1.6
316.54004	1.2
339.08743	13.9
339.12457	1.6
340.09100	1.6
342.05029	1.0
383.07736	21.5
384.07898	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41954	0.5
59.01082	0.9
59.01382	16.0
62.50652	0.5
71.01011	0.9
71.01383	9.0
71.44008	0.8
71.82682	0.5
72.15759	0.4
72.99315	1.5
73.02968	1.2
75.00880	65.4
76.01193	0.6
80.26115	0.5
80.78697	0.5
83.01379	0.9
85.02959	2.0
87.00890	1.3
89.02450	5.8
95.01395	0.7
96.95986	0.5
99.00882	1.2
101.02439	6.0
109.02970	0.5
113.02469	3.6
117.01972	1.7
117.03479	16.0
119.03578	2.7
119.05045	12.5
119.05887	0.4
120.05318	0.6
121.02991	0.5
123.04504	0.8
125.02529	0.5
133.06612	0.6
134.03700	0.9
135.04547	16.6
136.04869	0.8
145.02972	65.2
146.03296	3.4
159.04530	4.7
161.02480	1.8
161.06110	2.2
163.04030	11.9
165.34624	0.6
177.05621	0.8
179.03508	2.6
197.04562	0.8
203.03497	7.8
205.05078	1.2
219.05013	1.2
237.06177	100.0
238.06549	4.5
266.27322	0.5
324.10400	0.6
365.08691	0.9
383.09799	25.3
383.13870	3.8
384.10025	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1193
Annotation	Acetyl-maltose
Peak:m/z	Relative Intensity
55.01878	2.5
57.03442	2.2
58.81776	0.7
59.01384	100.0
59.21244	0.7
60.01711	1.1
67.01903	1.0
69.03464	3.6
70.56306	1.3
71.01385	53.2
72.99301	3.6
73.02960	8.5
81.03461	2.3
83.01405	5.7
85.02962	14.4
87.00878	8.8
89.02451	56.6
90.02776	1.2
95.01415	3.0
97.02954	5.1
99.00901	3.8
101.02452	40.3
102.02766	0.9
104.96159	0.8
109.02959	2.2
111.00910	1.8
113.02458	21.8
119.03510	17.9
125.02477	5.0
127.03911	1.0
131.03525	3.8
141.01947	2.5
143.03502	6.7
149.04555	1.4
155.94514	1.0
161.04561	6.6
179.05609	7.4
185.04546	2.1
203.05675	6.2
221.06691	5.8
235.08269	3.9
263.07730	3.5
272.87469	0.8
312.45630	0.9
323.09888	1.1
341.10989	1.4
383.12021	40.3
384.12338	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
70.93405	0.2
98.22647	0.5
119.05074	0.2
135.04526	0.8
137.02487	0.8
147.98433	0.2
161.02437	0.3
163.04022	2.5
164.04803	100.0
165.05136	5.9
178.06456	0.3
179.07144	85.8
180.07491	4.6
185.02470	0.6
279.52866	0.2
323.11270	0.3
383.13437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
79.05527	0.4
81.03464	1.8
83.30805	0.3
119.05111	0.4
122.03725	0.9
132.11423	0.3
133.03003	0.4
135.04561	0.5
135.11829	4.1
137.09743	7.9
138.10078	0.6
138.94478	0.3
149.38060	0.4
161.02446	1.0
163.04099	0.4
178.96510	0.3
179.10794	100.0
180.11136	7.5
203.10748	0.4
228.33690	0.4
338.92410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68709	4.0
59.01379	18.8
61.98830	7.2
70.76898	4.8
70.77229	5.5
71.01360	11.1
72.81409	4.5
78.28363	4.9
80.70638	4.2
82.11063	4.2
85.02963	10.7
87.00919	4.6
90.32122	4.6
92.75098	4.3
93.03522	5.4
113.02467	9.1
119.05051	12.9
121.02969	13.6
125.99606	10.2
133.02979	7.1
135.04544	9.8
136.04936	6.8
137.02481	6.7
139.03954	4.7
147.00920	5.1
149.02449	74.2
161.02490	9.5
162.02795	8.3
163.04025	10.3
164.04803	72.3
166.79857	4.7
176.40703	4.6
179.03421	5.5
179.07149	35.5
185.02232	8.6
190.02742	13.3
193.01471	13.7
205.05075	19.5
208.03702	31.4
223.06126	100.0
229.04958	5.4
237.05557	6.7
265.04984	6.0
270.40378	5.1
283.02527	7.6
341.06680	10.3
384.10327	7.4
384.16653	11.5
385.05698	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	385.048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30941	0.4
54.24863	0.4
57.03445	1.5
57.87238	0.4
59.01080	0.9
59.01382	17.4
61.98825	0.4
69.30810	1.1
69.31215	1.0
71.01382	1.5
78.28503	0.4
84.30560	0.4
89.02429	0.6
97.02858	0.4
101.02451	24.3
102.02769	0.7
102.05640	0.8
106.00820	0.6
109.33788	0.4
113.02499	0.4
115.02514	1.8
117.00478	0.5
139.00099	0.5
139.02499	3.7
141.00455	10.1
141.01544	0.5
142.00618	0.6
145.06169	0.5
153.00426	0.6
157.03580	30.7
158.03693	2.7
159.01552	2.5
161.01263	1.7
167.02094	0.7
168.01534	1.2
183.01497	100.0
183.99408	0.5
183.99971	0.6
184.01675	8.7
195.01563	0.8
201.02560	8.8
202.02710	0.8
203.02325	1.2
210.02583	2.8
211.02751	0.5
227.05258	1.7
241.00386	0.5
243.03606	28.6
244.03812	3.7
244.06718	1.4
283.01599	0.5
303.02524	4.0
304.02664	0.6
325.02676	9.0
326.02744	1.8
385.04709	0.9
385.12573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01383	20.8
63.28904	0.9
72.99348	0.9
89.02453	1.1
96.41663	0.9
98.99432	0.8
100.37952	0.9
101.00965	1.3
101.02449	22.8
111.02001	1.2
111.48670	1.0
115.02505	1.7
117.00452	3.1
126.16386	0.9
130.08743	1.1
131.02022	3.5
134.89192	0.8
139.02531	4.3
141.00462	10.6
142.00656	0.9
156.99998	2.0
157.03586	31.8
158.03729	2.7
159.01511	4.4
161.01239	2.3
171.01563	1.1
183.01514	100.0
184.01610	9.4
192.01590	1.5
201.02583	9.6
203.02408	1.2
210.02545	1.2
213.02505	1.4
243.03627	27.3
244.03751	2.5
244.06824	1.0
264.35425	0.9
274.99286	2.5
283.01797	1.0
289.00967	3.8
303.02481	5.4
304.02655	1.0
325.02316	9.6
325.05511	2.8
326.02606	1.5
343.03860	1.2
385.04861	1.5
390.43668	1.1
403.79581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69502	1.5
57.03442	2.3
59.01379	11.8
59.23671	1.4
67.76548	1.5
69.27135	1.5
69.77059	5.8
71.01370	3.6
78.86299	1.8
81.86908	1.5
85.02953	22.9
89.02453	1.9
91.01906	2.6
93.03460	21.5
104.02711	4.4
105.03465	4.1
108.02172	5.8
109.02961	13.4
116.06821	1.7
117.03474	5.5
119.01382	14.6
121.02975	18.7
121.72139	1.6
122.03769	3.4
123.04511	4.3
132.02170	9.4
133.02968	27.0
134.03766	2.4
135.04558	4.2
136.01683	9.5
137.02460	79.9
138.02777	2.8
139.04031	38.3
140.04376	3.1
145.02994	10.0
147.00896	71.7
147.04543	3.6
148.01691	15.7
149.02457	100.0
150.03264	36.3
151.04028	9.5
160.01714	4.9
161.02478	30.8
162.02844	1.8
163.04012	4.3
164.04819	18.0
165.01973	7.3
165.05519	5.7
175.00366	3.8
176.01097	11.2
177.01968	17.9
179.03618	1.8
179.07156	6.8
185.09351	2.3
189.01961	8.9
190.02730	11.8
191.01967	8.4
191.03534	17.4
193.01418	4.1
197.06065	2.2
203.03517	4.0
205.01448	12.1
205.03033	1.7
205.03328	1.6
205.05084	12.0
206.02010	2.8
208.03777	9.8
209.04567	5.6
209.06224	3.6
223.06117	36.3
224.06564	2.6
225.05489	3.2
233.00932	10.7
237.05615	4.1
244.76405	1.7
253.05057	5.6
253.14230	1.9
265.05057	5.9
281.04453	7.7
282.05420	13.1
283.02463	10.7
283.05310	2.0
295.05823	2.0
297.07355	2.1
298.04742	3.1
309.03976	3.8
313.06961	3.7
326.04099	3.1
341.06604	12.4
385.05701	19.9
385.21112	2.8
386.06027	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	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
57.03440	4.1
59.01389	27.8
68.99831	1.4
69.03474	1.7
69.93346	1.1
69.93661	1.6
71.01395	24.5
72.99323	4.6
73.02962	2.6
75.00880	19.2
81.12823	0.8
83.01408	1.8
83.05065	0.9
85.02959	30.3
87.00887	9.2
89.02452	7.0
91.03992	1.1
91.05545	48.9
92.05895	1.6
95.01394	7.2
96.01703	0.9
99.00896	11.9
101.02439	1.3
103.00375	3.4
111.00926	1.0
111.92414	0.9
113.02467	37.3
114.02788	1.2
115.00372	1.2
117.01953	3.4
117.03486	5.3
125.99644	1.2
129.01971	2.4
135.04536	17.1
149.02567	1.0
157.01390	1.5
161.02454	1.7
167.03462	1.9
175.02525	3.1
192.18059	0.9
205.05104	0.9
207.05087	1.0
231.05174	2.4
249.06186	38.7
250.06479	1.8
267.07236	100.0
268.07513	6.2
292.91068	1.1
295.08127	1.1
385.11472	32.0
386.11902	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	385.1144
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01372	2.9
66.88570	0.7
71.01382	1.5
85.02939	1.0
93.03487	1.6
121.02976	10.0
125.99585	1.7
135.04553	1.6
149.02460	79.7
149.89105	0.8
150.02831	3.5
152.01123	1.2
163.04068	3.8
164.04810	72.3
165.05168	3.1
169.05180	1.2
174.01683	0.8
177.94661	0.8
179.07155	21.6
180.07483	1.9
190.02756	2.3
193.01408	7.9
205.05057	2.8
208.03786	25.1
209.04099	1.6
223.06143	100.0
224.06505	8.5
265.07233	1.3
283.02594	1.3
330.36212	0.8
341.06589	2.2
344.73914	0.9
385.11182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Macrosphelide K
Peak:m/z	Relative Intensity
59.01387	2.7
61.17053	0.3
66.79206	0.2
69.48582	1.1
71.01402	1.3
71.01765	0.2
73.02952	0.5
76.66607	0.2
79.05538	0.4
81.03454	2.3
85.02952	0.9
91.01883	0.8
98.21894	0.3
101.02451	0.7
113.02469	0.3
120.16252	0.3
121.06580	0.9
122.03764	1.5
122.34637	0.3
135.04532	0.3
135.11829	6.0
136.12160	0.4
137.09735	10.4
138.10063	0.5
159.75523	0.3
161.09695	0.6
179.10788	100.0
180.11121	6.5
192.14998	0.2
203.10680	0.3
205.08711	11.4
206.09047	1.0
221.11763	0.6
223.09769	5.2
224.10179	0.4
385.15067	57.9
386.15424	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	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.0
57.03456	1.6
59.01385	100.0
69.03480	1.7
70.67926	1.1
71.01382	23.5
72.99319	3.9
73.02957	9.3
75.00867	2.0
83.01388	7.2
85.02959	20.0
86.00121	2.1
87.00883	2.7
87.30865	1.1
88.44535	1.1
89.02467	3.4
89.36597	1.1
95.01396	3.4
99.00904	3.2
101.02459	17.7
109.02921	1.4
111.00898	1.4
112.01678	4.1
113.02464	11.1
121.02975	4.9
122.03743	4.1
123.04507	1.2
125.02480	1.5
134.03755	1.8
135.04544	17.4
136.04866	1.7
137.02473	1.7
149.06117	2.7
155.50427	1.1
159.03003	1.4
161.02454	3.7
161.04588	3.3
166.06378	31.4
167.07074	5.8
179.03545	4.9
179.10884	3.7
181.07121	1.8
181.08725	34.3
182.08975	2.1
195.06627	1.7
197.04712	1.2
223.09755	2.5
265.10989	1.3
295.11874	2.7
310.10571	4.2
325.12958	88.9
326.13315	10.7
343.14005	56.3
344.14420	6.3
385.15103	3.9
395.38727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37696	3.3
61.98835	100.0
67.33100	3.1
91.30194	3.2
130.08748	5.0
183.80635	3.4
253.32780	3.6
357.62921	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	387.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58669	2.0
63.65664	2.0
69.09953	16.2
72.99319	28.0
83.81084	2.0
93.03458	2.8
107.05042	2.5
109.02946	6.1
111.00908	2.4
111.66557	2.0
120.41214	2.2
121.02925	6.2
122.03850	2.5
123.04579	2.8
124.01661	4.2
132.02187	2.9
133.02980	22.4
134.03790	5.1
135.04541	60.5
135.05522	4.5
136.04921	2.4
137.02458	11.2
138.03259	14.0
139.04010	6.1
147.04568	2.6
149.02441	7.5
151.04050	7.7
161.02461	100.0
162.02739	4.1
163.04037	4.5
165.01924	2.9
166.02737	18.0
173.49484	2.2
175.04036	5.6
179.03500	36.2
181.05083	38.0
193.01402	3.2
203.03557	15.3
207.02968	3.6
225.04080	4.2
257.85535	2.4
284.06650	3.2
299.09225	3.5
325.03448	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	387.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68831	0.7
70.58156	1.2
91.05566	0.7
107.05038	3.0
109.02962	12.0
117.03444	1.1
119.00633	0.6
119.01413	2.8
123.00862	1.1
134.03769	8.1
135.04541	100.0
136.04832	3.1
137.02457	37.8
138.02821	1.2
144.65443	0.7
147.00894	3.8
148.01685	17.0
149.02194	0.9
161.02469	2.4
165.56093	0.6
175.00327	3.6
176.01117	0.7
179.03514	68.2
180.03882	3.5
207.03008	22.2
208.03378	1.1
217.29256	0.7
225.04057	26.6
226.04425	1.4
284.03317	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36987	2.8
59.01374	9.3
63.25790	2.6
71.01373	3.1
71.43641	2.9
72.99310	3.5
108.02192	4.2
109.02969	100.0
110.03334	4.0
117.03403	3.8
121.02924	4.2
133.03036	4.1
135.04539	13.0
145.02960	6.2
146.03758	3.5
147.00877	5.0
149.02417	6.9
159.04594	3.7
161.02455	7.7
163.00400	3.9
173.02435	6.7
174.03201	5.9
175.00375	11.6
179.03539	10.3
183.04420	3.6
190.02808	9.8
201.01945	10.1
202.02657	3.9
211.03935	5.0
213.05539	3.1
225.07632	5.0
226.06253	3.3
238.06552	4.7
239.03502	4.0
239.07141	5.5
240.04318	8.8
241.05145	3.5
249.05415	6.0
255.02919	13.5
255.06674	5.6
256.03741	11.3
257.04498	5.3
265.04968	6.5
267.02994	9.7
267.06644	25.5
268.03659	4.3
269.04572	4.9
271.06119	12.3
283.02634	6.5
283.06113	9.8
284.03290	16.5
284.06424	4.1
285.04126	9.1
299.05646	10.7
299.08908	3.5
310.04745	3.4
311.05615	19.8
313.07056	8.3
315.08743	9.0
343.08176	6.7
387.07291	8.5
387.12659	3.2
413.59656	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	387.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	8.8
66.59068	3.2
72.99308	5.3
85.02946	4.2
107.05183	3.7
109.02956	13.7
111.00914	5.2
121.02940	8.2
133.02969	18.8
135.04539	25.4
137.02448	12.2
138.03271	18.6
139.05499	3.3
145.06203	5.5
149.02472	26.3
161.02472	40.4
166.02695	24.8
166.39894	3.8
179.03520	11.3
181.05096	12.4
183.04500	17.2
184.99149	3.4
185.06110	23.0
192.00618	4.5
196.05286	11.7
197.06050	18.5
199.04034	13.0
209.06122	7.2
211.04048	31.0
211.07616	16.5
212.04591	7.5
213.05525	12.5
221.06149	6.6
223.07758	6.0
224.04819	10.5
225.05511	14.5
226.02573	5.3
227.03499	6.8
229.05064	13.9
237.05579	13.0
238.06363	6.7
239.03513	39.5
239.07092	26.6
240.04262	21.8
241.05063	34.9
242.02208	18.3
242.05679	6.3
243.02965	13.7
248.04787	5.1
249.05522	10.7
250.06281	9.6
251.03444	6.6
253.05003	16.0
254.05861	11.5
255.06604	13.4
256.03778	6.1
264.04227	5.3
265.05032	21.7
266.05728	8.1
267.03015	30.9
267.06619	79.2
268.03583	8.9
268.06952	7.5
269.04517	10.3
271.06088	6.6
273.04120	30.1
282.05322	14.0
283.06128	22.7
284.03287	5.4
285.04181	17.3
293.04575	40.4
299.05652	8.5
311.05649	100.0
312.06134	10.4
331.46698	4.1
343.08139	11.8
355.04520	16.3
387.07120	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.6
56.99031	0.7
59.01385	100.0
60.01726	0.9
65.39283	0.8
69.21701	0.7
69.24552	3.1
69.24940	1.4
71.01385	17.2
73.02974	0.9
77.85135	0.6
83.01409	1.1
85.02953	3.6
89.02448	17.6
95.01395	1.0
98.21861	1.2
101.02450	13.7
101.74474	0.6
113.02454	6.9
119.03523	7.5
143.03465	0.8
163.11299	5.5
207.10283	15.7
208.10680	1.7
287.93942	0.7
384.57867	0.6
387.16620	81.3
388.16998	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	387.2025
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.01889	2.7
57.03455	4.5
58.00592	1.4
59.01385	100.0
60.01708	1.3
69.03459	1.2
69.63077	3.1
71.01388	63.2
71.05027	1.4
72.01756	0.8
72.99307	1.9
73.02951	13.3
75.21219	0.7
81.07102	1.2
83.01392	5.9
83.05022	3.9
85.02959	22.9
87.00883	2.1
89.02457	35.2
95.01406	4.7
97.02982	1.2
98.22632	1.4
99.00894	4.7
101.02453	35.3
102.02766	1.1
107.05015	1.5
109.03002	0.8
111.08140	0.7
113.02462	25.0
115.84184	0.7
119.03510	10.4
121.06601	1.5
121.10241	1.1
123.08179	36.5
124.08524	1.2
125.02449	2.0
131.03474	1.5
134.03705	0.8
135.04556	3.6
137.09731	11.5
138.06857	0.9
143.03534	2.1
153.09227	1.9
155.08704	1.2
159.03009	3.4
161.02493	1.8
161.04573	13.7
163.11299	32.2
164.11604	2.3
171.11833	2.7
173.09724	2.8
179.03499	1.9
179.05637	2.7
189.12863	43.9
190.13239	3.5
197.04639	0.9
205.05232	0.8
207.10300	5.6
207.13916	61.2
208.14224	5.3
225.14876	5.4
332.43863	0.7
336.65512	0.7
387.12515	1.7
387.16614	45.7
388.17017	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	387.2029
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01886	7.7
55.40033	0.4
57.03453	7.7
58.00605	0.8
59.01386	43.0
60.01736	0.6
66.01778	0.4
68.99806	0.4
69.03473	1.2
71.01389	100.0
71.27098	0.5
72.01718	1.8
72.99310	2.0
73.02956	34.6
74.03304	0.4
75.00883	1.7
83.01394	15.5
84.02175	0.9
85.02959	49.6
86.03301	1.0
87.00884	4.2
89.02452	9.0
92.39517	0.4
95.01407	8.1
97.02962	2.9
98.22507	0.5
99.00892	13.1
101.02456	74.5
102.02794	1.6
109.02930	0.8
111.00886	1.1
113.02464	41.5
114.02802	1.5
115.04030	0.5
117.03490	0.5
119.03525	2.2
123.04549	0.5
125.02434	2.3
129.01944	1.9
131.03526	0.7
133.03018	1.0
134.03688	0.5
135.04547	5.6
137.02533	0.6
137.09756	3.4
139.04060	1.9
141.32901	0.4
143.03490	3.5
147.18384	0.4
149.09732	0.7
151.04080	0.5
159.03008	10.7
160.03377	0.6
161.02650	2.8
161.04575	46.8
162.04945	1.6
163.04068	0.7
179.03539	1.2
181.05121	0.9
184.94560	0.4
189.12845	3.5
197.04587	1.0
207.13916	0.4
225.14987	5.4
226.15286	0.8
252.32986	0.5
297.12531	0.4
387.16400	0.9
387.20309	25.4
388.20682	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	387.2025
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
50.02826	0.7
55.01881	9.2
56.12729	0.8
57.03445	5.4
58.00595	1.0
59.01384	100.0
59.16451	0.6
60.01705	1.2
62.67845	0.7
68.99828	1.1
71.01387	69.3
72.99316	5.2
73.02953	25.0
75.00909	0.8
83.01396	15.2
85.02960	30.9
87.00392	0.9
87.00865	4.4
87.17735	0.9
89.02451	33.0
91.10619	0.8
95.01402	4.8
97.03021	1.7
99.00898	6.6
101.02453	91.0
102.02804	1.9
109.03013	1.2
113.02460	26.5
114.02815	1.4
119.03520	16.9
125.02475	1.1
128.71645	0.7
131.03506	1.6
133.02989	3.1
135.04539	11.8
137.02480	1.5
137.09708	1.9
138.03236	1.0
139.04016	1.0
143.03528	4.4
149.02480	1.0
149.04553	1.1
151.04120	1.3
159.03015	4.7
161.02502	12.6
161.04570	21.1
161.05875	1.4
162.02881	0.9
162.04974	1.0
163.04051	3.1
166.02734	1.4
179.03500	6.6
179.05717	1.6
181.05107	5.0
189.01935	0.9
189.12872	1.0
197.04599	1.2
203.03560	2.5
207.03050	0.8
225.04008	0.9
225.14955	8.9
290.02161	0.8
310.28058	0.7
332.39072	0.9
387.15515	1.6
387.20291	21.0
388.20462	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	387.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45163	29.2
59.01387	75.4
61.78264	37.6
61.98837	52.7
70.20176	85.6
70.20537	42.0
78.47704	36.1
79.41095	34.6
94.92520	40.2
122.22808	33.0
125.86082	34.6
135.04544	100.0
142.20082	33.4
179.03625	37.4
188.38400	37.8
398.12396	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98808	0.4
57.48263	0.4
59.01381	6.3
65.00329	1.2
67.01884	0.6
69.41566	0.8
69.41968	1.3
71.01391	1.0
72.99306	0.8
77.03984	5.9
85.53093	0.3
91.05537	0.6
93.03461	11.0
94.03795	0.5
94.77831	0.3
95.05037	0.8
98.21806	0.4
105.52286	0.4
105.92474	0.3
107.05045	3.9
109.02963	1.5
117.03498	0.5
119.01368	0.5
121.02963	15.1
122.03263	0.6
123.04521	1.1
125.06071	0.4
134.03761	5.5
135.04538	100.0
136.04869	5.1
137.02443	0.7
149.02551	0.6
150.03226	3.5
150.37411	0.4
151.03969	0.9
161.02449	1.1
165.01945	15.4
166.02271	0.7
174.03145	0.6
179.03517	6.5
193.01520	0.4
209.00923	2.1
237.05490	0.4
283.06213	0.7
283.09622	0.4
389.05151	1.3
389.10315	2.1
389.17523	1.0
390.10440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	37.0
67.05540	6.1
71.01387	38.8
71.38881	2.5
72.99313	4.0
78.95902	15.7
83.01382	4.0
85.02957	7.6
89.02448	9.8
90.97145	35.7
96.96980	29.9
99.00876	5.0
101.02462	10.8
113.02466	6.6
114.97210	3.7
116.98757	5.2
118.96643	39.6
119.03546	4.2
123.04520	2.7
128.98697	5.1
132.98230	14.6
140.98734	6.7
144.98233	3.5
146.96126	12.9
151.06178	2.4
155.00301	3.3
156.98164	17.4
158.99716	4.5
159.03372	7.3
160.97679	14.4
161.02460	3.9
161.04556	3.2
168.98227	9.7
170.99762	16.9
173.01350	9.3
174.99222	5.1
182.99722	5.6
185.01312	21.0
185.05013	3.3
186.99240	8.1
189.00809	5.0
194.04073	2.4
198.99228	17.7
199.02968	5.7
201.04468	11.8
209.01337	11.3
210.99394	3.9
211.02957	3.9
215.02435	9.4
217.00290	15.5
227.02408	41.6
229.00394	3.2
239.02425	7.7
247.11951	5.6
259.01443	17.5
269.03525	13.9
281.03384	2.5
291.10873	20.3
303.07703	38.8
304.07947	3.7
329.05606	100.0
330.05914	7.4
345.08765	19.2
347.06589	3.2
373.04498	3.9
389.07712	78.1
390.08005	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	389.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06457	0.4
58.22293	0.4
59.01379	5.2
62.55525	0.5
72.99313	5.7
93.03459	0.6
96.21077	0.5
105.03468	1.2
107.05019	0.6
109.02956	2.8
121.02966	4.4
122.03775	2.4
123.04534	9.0
132.02174	1.9
133.02974	26.5
134.03481	1.1
135.04539	11.2
136.01686	4.0
136.04872	0.9
146.03734	5.5
147.04491	0.6
148.01689	1.7
149.02451	2.5
150.03241	16.7
151.04025	17.8
152.04327	0.8
159.04509	1.9
160.05286	0.9
161.02460	100.0
161.06076	1.8
162.02783	6.0
163.04033	0.6
163.99359	1.1
164.04794	4.1
165.00200	6.7
165.01724	0.6
165.05574	3.9
166.00606	0.7
167.01709	0.8
175.07637	1.2
179.03523	4.0
179.07126	8.2
180.03896	0.7
191.03535	3.7
192.99648	0.6
197.04573	8.5
208.99158	6.1
209.04564	10.8
269.08258	2.0
297.07739	1.1
301.10901	0.5
303.91464	0.5
312.09955	0.9
313.07196	4.7
321.03992	0.9
327.08728	0.7
327.12396	1.0
389.12469	1.1
395.02286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	1.0
60.23909	0.6
69.32648	3.5
72.99319	4.3
95.05013	1.4
105.03486	0.7
105.13940	0.6
107.04990	0.6
108.02168	0.7
109.02977	1.1
121.02905	0.7
123.04529	7.3
132.02184	1.5
133.02974	26.5
134.03320	0.9
135.04547	6.4
137.02455	9.5
138.03217	2.3
150.03220	3.5
151.04041	14.9
161.02466	100.0
162.02812	4.3
165.05635	0.8
166.50874	0.6
179.03497	6.1
194.02162	0.9
195.02986	13.9
195.75682	0.6
196.03410	0.8
205.92296	0.6
209.04637	0.9
212.03227	3.4
227.05663	7.9
389.08740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52540	0.3
51.72577	0.2
55.01860	0.2
56.87140	0.2
57.03444	0.4
59.01387	15.4
71.01392	3.4
71.05048	0.3
72.99309	0.9
73.02955	5.9
74.57121	0.2
77.04026	0.4
81.03472	0.6
83.01398	1.3
85.02954	0.6
89.02451	2.3
89.03970	0.9
93.03471	0.7
95.01359	0.4
95.05037	0.6
95.57538	0.2
99.08163	0.3
101.02464	4.0
105.03492	2.1
107.05032	0.3
109.02981	1.7
110.00111	0.7
111.04522	0.3
113.02456	1.1
117.03449	0.3
119.03519	1.0
121.03012	1.6
123.00928	2.1
123.04528	1.4
123.08171	0.7
124.01685	3.2
125.02470	2.4
127.11286	0.3
131.03508	0.3
132.02200	2.0
133.02974	28.5
134.03427	0.9
135.04544	12.9
136.04849	0.7
137.02464	3.9
138.03278	2.7
139.04031	8.6
143.03471	0.3
149.02457	1.2
150.03273	0.6
151.04012	1.8
161.02466	100.0
162.02792	5.7
167.03514	19.2
167.10764	2.7
168.03870	0.9
177.01967	4.0
179.02034	0.6
179.03516	7.6
195.02998	3.3
209.04578	6.4
227.05653	8.0
228.06035	0.6
257.08081	0.4
293.21271	0.6
311.22421	0.9
317.55881	0.3
345.87442	0.3
347.17123	0.8
357.06476	0.5
374.14041	0.3
389.08530	1.3
389.18390	1.5
389.25549	8.2
390.25943	0.4
414.36316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94940	1.2
56.42272	1.2
59.01383	2.3
64.65917	1.2
72.99322	3.7
80.50388	1.2
85.20163	1.2
93.03481	3.9
95.05041	1.4
95.58746	1.2
108.02225	2.4
109.02969	1.4
121.02962	33.6
122.03780	6.5
123.04523	4.4
132.02216	5.0
133.02983	7.5
133.21805	1.2
134.03703	1.2
135.04529	16.6
136.01680	25.8
137.02443	1.5
138.90555	1.4
143.05037	1.3
145.02985	2.3
146.03755	51.6
147.04431	5.4
148.01682	3.2
149.02443	15.1
150.03238	100.0
151.04034	41.8
159.04543	5.9
160.05315	4.3
161.02451	28.7
161.03734	1.8
161.06094	14.4
162.02899	1.9
163.04045	2.7
163.99426	1.6
164.04814	33.5
165.00174	21.6
165.05586	30.9
166.05922	1.5
175.07657	12.6
179.03539	4.7
179.07152	59.6
180.07530	4.5
191.03595	2.5
193.08774	3.3
197.04575	3.2
207.39040	1.2
208.99164	16.4
209.04559	74.1
209.99500	1.4
210.04912	4.3
237.07755	4.2
251.07185	2.2
269.08163	2.4
297.07843	3.6
312.10104	7.0
327.12393	10.2
359.11844	1.2
377.89566	1.2
389.12360	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1823
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01885	1.2
56.57727	0.4
57.03445	1.3
58.00599	1.1
59.01385	64.3
60.01717	1.0
71.01389	27.7
72.99319	2.3
73.02965	1.7
83.01402	2.0
85.02960	6.4
87.00900	0.6
89.02454	21.8
90.02788	0.5
90.77680	0.5
95.01405	2.2
99.00893	0.5
101.02455	16.6
101.03110	0.9
109.03008	0.6
113.02461	9.2
119.03519	6.9
123.04581	0.9
131.90955	0.5
133.02974	2.5
134.03671	0.7
135.04549	4.5
136.04863	0.8
137.02490	0.7
143.03485	0.4
147.11812	2.0
150.03217	3.4
151.04042	0.8
161.02444	6.3
161.04509	0.5
162.02858	2.0
165.05615	0.9
165.12894	1.0
178.02786	0.6
179.03526	1.3
179.05620	0.8
191.46983	0.5
193.05086	1.5
195.06653	0.8
197.04597	1.4
209.11852	12.6
210.12151	1.3
227.12904	1.6
237.05821	0.6
302.21106	0.5
353.03699	0.5
371.17291	1.0
389.18192	100.0
390.18539	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
56.57727	0.4
57.03445	1.3
58.00599	1.1
59.01385	64.3
60.01717	1.0
71.01389	27.7
72.99319	2.3
73.02965	1.7
83.01402	2.0
85.02960	6.4
87.00900	0.6
89.02454	21.8
90.02788	0.5
90.77680	0.5
95.01405	2.2
99.00893	0.5
101.02455	16.6
101.03110	0.9
109.03008	0.6
113.02461	9.2
119.03519	6.9
123.04581	0.9
131.90955	0.5
133.02974	2.5
134.03671	0.7
135.04549	4.5
136.04863	0.8
137.02490	0.7
143.03485	0.4
147.11812	2.0
150.03217	3.4
151.04042	0.8
161.02444	6.3
161.04509	0.5
162.02858	2.0
165.05615	0.9
165.12894	1.0
178.02786	0.6
179.03526	1.3
179.05620	0.8
191.46983	0.5
193.05086	1.5
195.06653	0.8
197.04597	1.4
209.11852	12.6
210.12151	1.3
227.12904	1.6
237.05821	0.6
302.21106	0.5
353.03699	0.5
371.17291	1.0
389.18192	100.0
390.18539	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.8
57.03453	1.6
59.01387	100.0
60.01726	0.9
64.66598	0.6
69.09961	2.2
69.10367	1.9
71.01392	26.6
72.99318	2.8
73.02953	10.4
75.00895	0.8
83.01403	5.4
85.02972	11.1
87.00889	1.9
87.93090	0.7
89.02460	12.7
95.01404	1.6
99.00894	1.7
101.02464	23.5
109.03009	1.8
111.00893	0.9
113.02470	12.9
119.03509	6.1
122.91064	0.6
123.04594	1.0
125.02481	1.1
131.03584	0.7
133.03015	1.9
134.03755	1.3
135.04553	5.8
136.04837	1.4
137.02499	0.7
143.03549	2.1
150.03267	2.3
151.04086	1.5
159.03041	2.2
161.02513	5.0
161.04588	10.4
161.05875	0.9
165.05743	0.7
179.03560	2.1
179.05699	2.8
185.11826	1.6
197.04605	2.5
209.06174	1.0
227.05634	1.5
329.16180	3.1
347.17209	9.5
389.10376	0.9
389.17371	4.3
389.22491	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	389.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78730	1.3
59.01387	100.0
60.01707	2.3
71.01385	6.6
73.02957	4.3
75.83515	1.2
85.02959	2.9
89.02449	3.2
99.33486	1.4
101.02461	4.9
113.02469	2.7
123.04461	1.4
135.04538	5.5
149.09758	2.0
150.03242	24.5
151.03970	1.6
152.04747	1.3
160.84264	1.9
161.02490	3.2
161.04584	5.2
179.03513	1.8
209.05994	1.4
227.09180	1.7
329.16238	7.8
342.77563	1.5
347.17181	1.4
389.10367	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	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03435	1.5
57.95260	0.7
59.01382	12.9
69.03467	1.1
71.01384	7.1
71.41079	0.7
72.99313	1.6
76.70591	0.9
79.65254	0.8
85.02946	1.4
89.02472	5.3
92.05541	0.8
95.01349	0.9
101.02429	2.5
109.03002	1.4
111.08161	2.3
113.02483	6.5
123.04536	1.2
133.02997	4.2
133.54730	1.0
135.04527	3.6
137.02458	1.6
139.04015	1.0
148.12086	0.9
150.03143	1.4
151.04028	3.5
161.02464	20.8
161.04510	1.2
165.12856	25.4
166.13170	1.7
171.91161	0.8
179.03505	2.3
180.03816	1.1
183.13911	70.1
184.14276	3.8
195.02998	3.1
197.15511	1.5
207.13940	2.0
209.11836	3.7
224.96156	1.0
225.15060	1.1
227.05627	2.5
227.12907	100.0
228.13234	7.3
251.12837	5.7
269.13971	2.8
293.13940	1.3
302.15421	0.9
363.49081	1.0
389.08176	1.2
389.16187	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2186
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
50.60514	0.6
55.01880	7.8
57.03445	8.8
58.00594	1.6
59.01384	93.7
60.01712	1.4
61.61345	0.8
69.03450	1.3
69.23180	0.6
70.72357	0.9
70.72681	0.7
71.01388	100.0
72.01732	1.5
72.99327	2.3
73.02951	33.6
75.00896	1.1
82.94798	0.7
83.01393	14.2
84.04233	0.8
85.02956	50.1
86.00095	0.9
86.03302	1.6
87.00886	4.2
89.02452	33.5
90.14868	0.7
95.01392	6.0
97.02966	2.3
99.00878	9.3
101.02451	86.0
102.02790	2.7
111.00909	1.6
113.02454	45.0
114.02806	1.9
119.03513	13.3
123.04633	0.8
125.02473	2.1
129.01970	2.2
130.97957	0.8
131.03552	1.2
131.08740	1.0
135.04539	1.2
143.03545	5.5
147.11771	4.0
159.03006	10.0
161.04572	45.1
162.04868	0.9
179.05641	4.2
184.13248	0.9
227.16530	3.3
227.43076	0.7
265.30731	0.8
314.84622	0.8
389.21872	62.5
390.22156	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2337
Annotation	Methyl ent-16-acetoxy-6-oxo-7,13E-labdadien-15-oate
Peak:m/z	Relative Intensity
59.01387	47.2
60.01684	1.1
63.08235	1.1
69.15475	7.2
74.76130	1.2
84.46474	1.1
92.27266	1.1
124.91053	1.2
161.02544	2.3
170.04079	1.9
172.44739	1.3
214.10126	1.4
239.10844	1.3
267.13980	2.8
281.15457	13.1
282.16251	18.0
283.16571	1.8
297.18628	83.4
298.18951	11.5
299.20038	1.1
315.19775	2.5
332.38705	1.2
357.20758	100.0
358.21124	14.5
389.18546	2.4
389.23373	37.0
389.98648	1.2
390.23560	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	389.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53761	34.9
55.95134	30.4
60.35934	32.5
61.17377	30.0
61.56644	25.9
62.61825	31.1
65.13711	30.4
66.45744	26.6
67.37050	26.0
68.16978	28.6
71.19266	32.8
133.02946	57.7
161.02457	100.0
183.17216	30.6
194.62659	29.4
294.85599	30.4
313.55167	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02005	16.1
59.40121	21.0
69.35085	100.0
69.35355	27.0
75.36539	24.4
81.94304	17.7
98.22692	20.9
135.72131	18.6
158.06038	17.7
161.02403	35.2
174.71272	18.5
207.42610	21.6
220.41953	18.7
220.70055	19.7
240.90144	20.3
243.21735	20.2
303.96405	21.0
371.61261	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	390.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85609	0.9
59.01388	1.2
61.98839	100.0
65.56731	0.7
80.96531	0.9
98.38548	0.9
111.84211	0.9
118.47178	0.8
133.02960	1.1
135.04547	1.4
161.02449	4.6
162.02803	4.2
183.75987	0.9
281.29666	0.8
348.13403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
57.03453	36.0
58.99691	2.2
59.01384	100.0
60.01716	3.7
61.05859	2.4
61.24255	2.0
62.93459	2.4
67.39500	2.0
71.01385	31.1
72.01740	6.2
72.99323	9.1
73.02957	12.7
74.03288	2.4
83.01381	4.2
85.02940	18.1
89.02447	13.5
90.02767	4.0
99.04528	30.7
101.02451	35.7
102.02796	5.4
113.02458	10.6
119.03520	7.2
125.02456	11.0
133.02972	6.1
135.04527	9.8
143.03571	2.9
161.02455	24.2
161.04558	10.3
162.02863	2.5
162.04909	5.5
179.03529	4.9
197.04568	7.9
269.35318	3.0
271.08405	9.4
390.22467	12.4
391.12723	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	390.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
71.25746	43.9
78.59154	35.0
78.59657	38.8
86.96118	42.3
130.08676	82.5
184.59578	41.5
230.09543	44.2
322.20190	55.2
329.17670	100.0
398.16998	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	42.2
62.71899	2.8
64.04514	3.0
71.01399	12.6
72.99311	4.7
73.02940	3.3
81.18725	2.6
84.56978	2.8
89.02458	5.7
95.76624	2.7
102.00602	2.7
113.02470	6.2
119.70266	3.0
123.04597	4.4
131.07166	3.0
133.03014	4.1
134.03761	50.8
135.04556	19.4
138.07710	3.1
149.02463	7.0
149.06087	14.1
150.03201	3.4
151.04001	4.0
161.02458	4.3
167.03517	2.6
178.02733	19.8
179.03545	4.4
185.01265	2.9
193.05075	100.0
197.04613	4.9
211.09763	6.7
217.00252	7.5
229.01755	5.9
247.05080	5.6
276.32693	2.7
293.12296	4.4
331.07089	8.8
339.07562	2.9
347.12936	4.5
391.11725	4.1
414.02213	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	391.104
Annotation	Breynioside A
Peak:m/z	Relative Intensity
59.01365	1.3
65.03954	2.3
66.31438	1.1
72.99316	100.0
73.99647	1.5
79.13603	0.9
81.03475	2.1
93.03482	5.7
94.51711	1.0
95.05009	1.4
105.03464	1.4
107.05052	2.4
108.02193	2.6
109.02939	8.2
121.02970	10.2
122.03747	3.1
123.00887	3.4
123.04541	29.8
124.01672	1.8
124.04884	1.4
131.01430	1.3
133.02937	4.4
134.03813	2.0
135.04558	8.5
136.01662	2.0
137.02461	47.4
138.03250	21.3
139.04028	6.9
148.01677	52.9
149.02472	19.7
150.03244	21.0
151.04025	73.0
152.04395	3.0
163.04065	2.4
165.01953	2.6
165.05615	5.7
166.02731	24.0
167.03427	1.7
177.01933	11.2
179.03546	6.7
181.05081	80.4
182.05420	3.4
192.99812	2.0
193.01443	7.0
194.02200	5.9
195.02997	79.2
196.03319	4.1
197.04568	8.9
207.02965	2.7
208.03775	4.8
209.04523	4.5
212.03279	17.0
213.03667	1.2
225.04085	2.6
226.04788	3.2
227.05629	51.7
228.05989	3.4
231.91345	1.0
250.23267	1.0
347.15076	1.2
391.10352	89.3
392.10721	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	391.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88060	1.0
59.01378	2.0
64.69455	0.9
66.63154	1.0
68.87332	0.9
71.41171	1.3
72.99315	99.3
73.99665	1.1
78.93135	1.0
81.37841	0.9
89.03995	1.2
93.03485	2.0
107.05032	2.4
108.05381	1.1
109.02939	3.1
121.02962	7.0
122.03791	2.3
123.04537	60.5
124.04896	2.5
133.02963	3.1
134.03735	3.4
135.04538	58.0
136.04881	2.7
137.02472	2.7
147.00906	2.0
148.01691	2.7
149.02455	81.5
150.02950	4.6
151.04030	13.6
161.02528	1.3
163.00392	6.1
164.01144	2.2
165.01924	2.5
177.01952	1.5
177.11082	1.3
178.02747	3.1
179.03510	57.6
180.03917	4.0
192.99596	1.9
195.03087	1.6
197.04562	100.0
198.04889	5.1
209.04591	11.1
210.05093	1.9
211.06125	23.2
233.08350	1.2
253.05125	1.4
315.05197	1.3
334.86438	1.1
342.79019	1.0
344.05356	4.6
347.15149	1.6
359.07800	15.1
360.08090	2.1
391.10345	69.2
392.10822	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	391.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42896	0.5
57.03443	1.9
59.01385	19.3
63.71737	0.4
63.92295	0.4
71.01385	1.9
71.40961	0.7
72.99316	17.6
73.02964	1.2
83.01380	0.6
85.02950	0.7
87.00881	0.5
89.02446	1.3
93.03443	0.9
95.03377	0.5
96.82175	0.5
97.02984	0.5
99.04540	2.2
101.02456	3.0
107.01401	1.1
107.05081	0.7
108.02178	2.2
109.02977	4.5
111.00895	0.7
113.02473	1.3
118.61394	0.6
120.99631	0.5
123.00904	3.1
123.04544	9.7
125.02474	1.0
130.90331	0.5
132.02232	0.6
133.02977	17.5
134.03696	2.1
135.04541	20.7
136.01677	0.8
137.02420	2.6
139.00392	1.2
139.02159	0.6
149.06105	1.1
150.03224	1.5
151.04007	3.2
161.02461	100.0
162.02831	4.9
163.00383	2.1
163.04057	0.5
164.01181	0.6
165.61310	0.5
166.02737	1.0
167.03461	0.5
177.01881	0.7
179.03516	13.9
180.03830	0.6
182.59595	0.5
193.05159	1.2
196.13631	0.5
197.04573	25.3
198.04880	1.3
221.08217	0.6
226.02562	0.5
229.01773	1.4
244.03648	0.7
255.51083	0.5
258.05426	0.5
259.06195	1.0
271.08502	1.0
272.03415	0.6
281.06711	1.0
287.05713	3.5
302.07870	1.3
315.58694	0.5
317.10376	0.7
331.04657	2.5
346.06900	4.4
347.07175	0.5
351.96085	0.5
359.07776	7.2
360.08090	1.2
361.09332	11.0
362.09500	1.3
375.33893	0.5
391.10294	9.2
391.19855	2.6
392.10999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32205	0.9
56.11929	0.9
57.50630	0.8
59.01386	93.0
67.01888	1.4
70.56591	1.6
71.01378	2.0
72.99317	2.5
74.84371	0.8
89.02460	3.6
93.03466	3.0
101.02459	2.9
103.85769	0.9
108.02187	13.3
109.03027	5.1
111.00894	1.2
117.76230	1.0
119.03535	2.5
121.02962	8.1
122.03773	10.5
123.00893	9.4
123.04550	7.3
124.01720	5.9
125.02511	1.4
130.09889	1.0
133.02989	2.2
134.03801	1.3
135.04549	7.4
136.01668	5.3
137.02509	2.0
139.00523	1.2
146.21577	1.1
147.04543	1.5
149.02475	17.3
149.06100	2.6
150.03249	100.0
151.03812	5.9
151.70818	0.9
161.02414	1.6
164.04793	3.0
165.05591	83.5
166.05945	4.5
177.01962	2.9
177.05554	1.8
178.02689	1.1
179.03452	3.1
179.05641	1.0
180.04311	10.4
192.99667	4.3
193.05054	2.3
194.28787	1.0
195.06651	60.4
196.06976	3.6
197.04498	1.5
198.42520	1.0
211.07631	1.1
213.09291	1.9
217.00328	1.8
221.06310	1.4
229.01862	2.0
239.07257	3.0
249.05627	1.6
250.06351	1.4
251.07101	1.2
255.06645	1.8
266.05911	2.6
267.06647	1.4
269.08328	2.3
275.05652	1.6
278.05966	0.9
281.08212	3.2
287.05646	3.7
298.08432	3.6
299.09177	1.3
302.08017	2.3
303.12558	1.0
313.10806	10.3
314.11203	1.1
317.10266	1.9
325.10950	4.4
331.04462	1.5
343.11832	9.0
344.12134	1.5
346.07056	1.2
347.12897	3.5
361.09354	20.1
362.09839	1.8
391.10480	16.9
392.10895	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	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58176	1.1
53.72490	1.2
57.03453	100.0
58.03794	1.9
59.01385	97.0
70.05472	3.7
71.01389	13.7
72.86720	1.3
72.99319	6.0
73.02973	4.2
78.46566	1.4
81.03452	2.0
85.02962	3.9
89.02459	12.9
99.04530	79.8
100.04851	2.4
101.02450	18.6
108.38094	1.4
112.18626	1.3
113.02448	4.7
119.03522	5.3
121.02962	2.7
121.60310	1.5
125.02465	23.9
126.02810	1.6
133.02940	5.0
135.04535	3.3
143.03513	2.0
155.01697	6.9
159.70123	1.4
161.02454	13.0
161.04532	3.3
167.01762	3.0
179.03461	2.5
179.05658	3.4
197.04591	2.0
202.77095	1.5
229.01764	17.0
243.29681	1.3
247.11813	3.2
270.49704	1.4
276.21280	1.6
289.13077	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50835	1.7
59.01385	100.0
61.98830	5.0
63.58028	1.5
71.01383	5.3
73.02941	2.3
85.02954	2.5
101.02440	5.0
113.02501	3.0
135.04544	3.1
161.04601	4.4
174.99315	1.9
217.00304	6.6
331.17514	10.3
414.41171	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01717	1.2
70.90202	0.3
71.01385	3.7
71.10470	0.4
72.99307	2.0
73.02956	1.5
83.01397	0.8
85.02962	2.0
89.02475	1.2
99.00875	0.4
101.02438	3.3
108.02168	0.6
109.02995	0.6
113.02452	2.1
119.13950	0.4
123.04531	1.0
127.71098	0.4
133.02985	0.9
134.03807	0.8
135.04541	2.2
135.54318	0.4
149.06126	0.6
151.04051	1.2
155.01755	0.9
159.03058	0.5
161.02557	1.7
161.04579	5.2
161.05907	0.6
167.01906	0.6
175.04077	0.5
178.02725	0.4
179.03534	1.0
181.03391	0.4
193.05115	2.2
197.04585	0.6
210.66634	0.4
229.01778	3.2
237.50156	0.4
325.18893	0.4
331.17639	10.7
332.18079	1.4
390.95673	0.5
391.11691	0.7
391.20010	1.5
392.19986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52878	0.5
55.01898	0.5
55.88662	0.5
57.03454	2.2
59.01385	100.0
60.01726	2.0
61.01817	0.6
69.03459	0.5
69.43742	2.1
71.01390	15.4
71.80505	0.5
72.99321	1.7
73.02955	11.3
74.03283	0.5
81.03458	0.5
81.07120	0.5
83.01370	2.9
85.02954	5.4
87.00906	1.0
87.04539	1.4
89.02453	8.9
89.02956	0.7
93.99243	0.5
95.01419	1.9
99.00922	0.7
99.04530	0.8
101.02454	12.2
102.02793	0.5
113.02464	11.2
119.03518	3.7
121.02969	0.8
123.04568	0.8
131.03595	0.6
133.03000	1.2
134.03775	1.7
135.04544	7.7
135.05495	0.6
139.02190	0.5
143.03568	1.0
151.03978	0.8
155.01801	1.5
160.01659	2.1
161.02502	4.0
161.04524	5.1
161.05667	0.5
167.01744	2.5
175.04021	3.3
179.03508	4.9
179.05716	1.0
187.13414	5.9
191.03558	0.5
193.05124	1.7
197.04630	0.8
211.00818	1.3
229.01765	6.9
229.03789	0.5
229.09760	0.5
230.02159	0.5
247.11034	1.0
265.07062	0.7
295.08255	0.6
331.17645	5.3
332.18011	0.6
347.13062	0.6
349.18701	9.3
349.22711	0.7
350.18964	1.0
355.10596	0.8
391.12140	1.2
391.17969	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52878	0.5
55.01898	0.5
55.88662	0.5
57.03454	2.2
59.01385	100.0
60.01726	2.0
61.01817	0.6
69.03459	0.5
69.43742	2.1
71.01390	15.4
71.80505	0.5
72.99321	1.7
73.02955	11.3
74.03283	0.5
81.03458	0.5
81.07120	0.5
83.01370	2.9
85.02954	5.4
87.00906	1.0
87.04539	1.4
89.02453	8.9
89.02956	0.7
93.99243	0.5
95.01419	1.9
99.00922	0.7
99.04530	0.8
101.02454	12.2
102.02793	0.5
113.02464	11.2
119.03518	3.7
121.02969	0.8
123.04568	0.8
131.03595	0.6
133.03000	1.2
134.03775	1.7
135.04544	7.7
135.05495	0.6
139.02190	0.5
143.03568	1.0
151.03978	0.8
155.01801	1.5
160.01659	2.1
161.02502	4.0
161.04524	5.1
161.05667	0.5
167.01744	2.5
175.04021	3.3
179.03508	4.9
179.05716	1.0
187.13414	5.9
191.03558	0.5
193.05124	1.7
197.04630	0.8
211.00818	1.3
229.01765	6.9
229.03789	0.5
229.09760	0.5
230.02159	0.5
247.11034	1.0
265.07062	0.7
295.08255	0.6
331.17645	5.3
332.18011	0.6
347.13062	0.6
349.18701	9.3
349.22711	0.7
350.18964	1.0
355.10596	0.8
391.12140	1.2
391.17969	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	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74730	0.7
56.81658	0.7
57.92595	0.7
57.92894	0.7
59.01385	100.0
60.01723	1.0
61.36160	0.7
62.27507	0.7
64.15755	0.7
69.03461	0.9
69.07317	4.5
71.01403	2.1
72.99326	2.9
73.02963	4.7
83.01435	1.3
85.02966	1.0
89.02490	1.0
101.02453	3.7
103.75444	0.7
106.70635	0.8
109.02977	1.5
123.04623	1.8
130.48486	0.8
133.02995	2.6
135.04533	4.5
151.04027	0.9
161.02441	9.1
161.04596	1.1
179.03552	3.0
192.99670	0.8
197.04536	1.0
229.01839	1.9
391.04779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73427	0.5
57.03455	0.5
57.20775	0.5
59.01385	100.0
60.01729	0.9
61.98831	0.8
71.01392	3.8
71.18256	0.6
72.99302	1.0
73.02971	1.3
83.01411	1.1
85.02956	1.1
97.60160	0.5
101.02454	4.4
104.57215	0.5
108.02201	0.5
109.02942	0.7
113.02513	1.5
121.03006	0.6
123.04546	1.8
133.03050	0.6
135.04518	3.0
150.03300	1.9
151.04044	1.2
155.01660	0.5
159.02907	0.6
161.04572	2.7
174.99382	0.5
179.03696	0.6
197.04616	0.8
213.09473	0.5
217.00386	2.0
222.06647	0.4
229.01852	1.4
237.09296	1.1
239.07312	1.3
257.08185	0.5
278.86157	0.5
331.17645	11.7
332.18091	1.5
340.31339	0.6
340.35736	0.6
347.12823	3.2
391.11475	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	392.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50563	6.0
59.01372	5.4
59.14038	5.1
61.98833	100.0
69.40880	16.5
69.41288	10.4
73.25295	6.3
88.95245	5.8
102.92657	6.3
121.02979	16.0
133.02991	10.0
135.04555	14.2
147.54489	5.7
157.42505	5.6
161.02420	15.2
185.55022	6.6
236.28854	5.8
260.49194	6.0
271.02560	29.7
299.01996	47.9
314.04318	49.8
329.06717	59.4
330.07202	10.0
357.06137	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	392.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51659	2.8
59.01387	47.2
61.98839	100.0
71.01389	6.7
71.43997	2.9
89.02448	5.7
91.72217	3.4
113.02461	5.4
125.02439	3.4
133.02945	14.5
141.40160	3.2
150.03185	3.4
151.04007	4.5
151.42708	3.7
161.04410	4.9
195.03021	8.7
236.67186	3.7
293.93698	3.9
310.09314	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	392.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95882	6.4
53.14563	6.5
59.01371	8.2
61.58555	7.4
61.98840	100.0
64.44617	7.4
66.70985	6.7
69.56951	13.2
69.57373	25.2
88.86733	8.1
98.21904	8.8
105.89149	6.8
130.38303	7.0
161.02531	11.5
256.56647	6.9
357.06271	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	393.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.2
59.01386	5.2
67.01899	0.8
69.03464	100.0
69.70104	1.9
69.70482	1.3
70.03795	2.4
71.01382	1.5
72.99325	2.8
75.21030	0.6
79.01914	2.8
87.00884	1.5
93.03463	8.6
95.01397	1.8
97.02966	20.0
99.00895	26.4
99.01543	1.4
100.01241	0.8
109.02956	1.4
113.02466	1.1
116.92905	0.9
123.00954	1.8
123.04512	1.5
127.69630	0.6
130.61819	0.7
135.04556	9.1
137.02478	8.7
141.01974	6.9
142.04251	0.9
143.05061	21.3
144.05362	1.0
150.03264	1.1
151.04109	1.3
154.66238	0.7
165.05603	0.9
167.05142	1.1
179.03577	5.2
185.00943	59.1
186.01331	2.6
187.04117	5.7
197.04564	1.4
207.03064	2.2
231.03157	3.5
249.93739	0.8
349.12982	0.9
393.04434	3.0
393.08502	16.0
393.15808	2.1
394.09021	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	393.1325
Annotation	Robustic acid methyl ether
Peak:m/z	Relative Intensity
59.01384	100.0
66.75739	5.8
71.01386	15.2
71.40719	8.3
72.65138	6.3
72.99314	8.1
73.02962	6.8
89.02448	9.4
89.64584	6.2
90.81070	6.3
101.02470	17.5
125.02389	6.5
132.02052	6.4
134.03743	19.8
135.04579	34.0
136.04901	7.0
139.48099	6.7
147.04532	27.6
151.04034	8.6
156.23283	6.8
160.63768	6.3
161.02449	20.0
163.03938	8.2
175.04051	19.0
179.03537	9.1
193.05084	13.6
235.06165	14.4
261.13452	10.7
265.07062	9.7
269.08319	18.4
275.24173	7.3
295.08322	11.6
393.08600	11.6
393.13205	51.4
393.17746	12.4
394.13107	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	394.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
65.94562	3.0
71.03008	3.9
78.62570	3.1
85.58022	3.3
90.68320	3.2
98.77299	3.4
103.35192	3.2
136.95488	3.3
149.35576	3.5
161.02463	4.6
418.26389	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	394.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28711	2.4
58.47453	2.2
61.44902	2.3
61.98838	100.0
70.95954	3.3
73.97778	2.8
77.99262	2.8
83.28273	2.4
85.43340	2.1
99.47396	2.9
111.48671	2.2
111.74503	2.2
114.93408	5.0
134.65021	2.4
135.04514	3.0
161.02486	6.7
161.93353	2.5
275.29745	2.7
331.19296	3.4
347.43973	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	394.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	69.6
72.99317	2.7
84.01018	1.9
127.00389	2.3
133.02962	6.9
135.04549	8.3
161.02464	32.5
179.03455	5.8
197.04565	6.3
274.65924	2.2
299.16626	2.3
316.16763	1.9
318.85150	2.1
331.19171	100.0
332.19534	16.3
358.06329	2.1
359.07642	6.3
360.04102	2.3
385.79181	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	394.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	11.6
61.98842	75.9
98.22630	32.3
101.36606	12.3
108.04035	14.0
129.90523	15.9
135.04546	16.1
161.02480	42.8
179.03581	17.9
199.76242	11.0
255.13921	16.2
283.13489	26.8
301.18155	48.7
313.14529	100.0
331.19284	60.2
341.95993	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	394.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79894	3.3
59.01405	3.1
61.98837	100.0
86.15600	3.0
89.21973	3.1
135.04553	3.9
161.02502	12.2
164.00702	3.4
168.09572	3.5
169.27423	3.2
216.79538	3.1
235.85036	2.9
255.51363	3.3
359.07632	3.7
364.31912	3.6
415.98364	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	394.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89588	8.5
61.98819	11.2
69.41784	48.5
72.99312	22.7
82.74230	8.8
96.96027	45.5
109.43137	9.1
133.02969	19.0
135.04538	32.6
161.02473	100.0
179.03511	21.3
184.82462	12.2
189.68077	11.5
197.04573	17.0
218.01384	10.3
309.17416	89.3
331.94763	11.6
358.06714	11.4
359.07965	13.3
394.15305	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	395.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	18.3
83.63680	3.1
123.04543	7.7
132.80042	2.5
133.02994	17.1
135.04543	26.5
161.02469	100.0
162.02774	5.3
179.03522	16.0
180.70856	2.8
197.04579	24.0
359.07892	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	395.054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.1
61.56001	2.9
63.26263	2.9
69.43845	10.4
70.55835	2.7
71.48724	2.8
72.99316	20.5
77.40218	2.8
94.70664	2.4
101.43011	3.3
109.70159	3.2
123.04533	6.7
132.95912	2.8
133.02977	17.1
135.04515	23.6
147.33078	3.2
161.02457	100.0
179.03497	18.2
197.04553	23.3
199.97437	3.1
359.07855	19.9
415.94992	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	395.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82037	2.3
59.01382	2.8
64.73608	2.4
72.99305	14.4
98.21774	3.6
109.02953	13.5
122.58397	2.4
123.04562	8.5
125.02448	2.7
133.02969	21.3
135.04555	39.7
147.04570	3.9
159.04526	21.1
161.02464	100.0
162.02792	7.3
163.04074	4.5
171.10147	2.8
173.08235	4.3
179.03514	24.1
197.04546	22.2
231.03119	4.6
233.10371	11.0
269.08170	7.0
302.91071	2.7
357.06113	29.0
358.06366	4.5
358.91397	2.9
359.07669	22.9
360.08008	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	395.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.5
63.62895	1.4
65.80927	1.1
66.24542	1.6
72.99312	9.8
79.38422	1.3
90.61660	1.2
107.05008	2.6
109.02965	3.7
123.04546	3.4
133.02971	8.6
134.03763	3.3
135.04541	100.0
136.04854	3.4
153.05574	2.4
161.02464	59.0
162.02818	2.1
179.03517	33.4
197.04538	11.2
210.34756	1.4
343.94675	1.7
357.05994	3.5
359.07831	15.5
360.07996	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99327	13.2
98.22807	14.7
133.02953	17.4
135.04588	26.0
161.02458	100.0
179.03542	15.6
197.04559	22.9
359.07809	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	395.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66746	2.7
56.25699	2.2
57.03452	62.9
57.18268	2.5
59.01386	100.0
69.77989	8.1
71.01395	26.4
82.95421	2.9
85.02971	7.5
89.02438	19.0
99.03918	4.4
99.04525	52.9
99.84672	2.5
101.02456	22.2
109.02960	5.3
113.02459	11.2
117.15498	3.4
117.38132	2.4
119.03503	4.0
121.02937	7.4
121.10584	2.5
125.02441	17.4
133.02933	8.3
135.04535	3.4
137.02448	4.6
138.17180	3.5
153.05594	6.4
182.02206	3.6
196.03656	3.6
197.04533	24.7
198.04848	2.7
203.03485	8.9
215.09261	6.4
239.05721	13.0
251.11392	11.8
307.03857	3.2
359.09860	98.6
360.10162	9.6
395.01779	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	395.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99300	1.1
97.64557	0.6
112.41599	0.6
124.15421	0.6
131.44218	0.6
133.02995	1.0
135.04543	1.5
161.02469	6.5
179.03514	1.1
183.10728	0.6
197.04555	1.8
239.10681	0.6
240.11533	0.9
255.10158	1.3
255.13943	15.7
256.11008	1.1
256.14264	1.5
264.83167	0.6
267.13971	5.1
268.11401	0.6
283.13440	20.2
284.13742	2.5
285.14948	4.5
285.17935	0.5
295.13388	7.6
296.13794	0.7
313.14496	100.0
314.14874	10.9
315.19528	0.8
359.07751	1.7
395.15396	1.4
396.06644	1.4
400.27762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42458	2.3
58.58617	1.9
59.01385	100.0
61.98834	2.8
69.03462	5.4
71.01391	74.0
71.42793	2.4
72.99312	4.2
73.02969	17.8
75.00851	3.1
76.61822	2.2
81.03480	2.8
83.01391	4.4
85.02955	5.3
87.00935	3.2
89.02454	94.7
97.02985	11.2
99.00895	20.9
101.02454	28.0
101.06093	40.3
109.02963	2.6
113.02448	6.7
113.87156	2.5
113.88019	2.9
115.04036	3.7
125.02457	42.3
127.16293	2.1
131.03543	12.8
133.02960	3.4
135.04506	8.2
143.03546	4.4
143.07164	5.4
149.04575	25.1
161.02426	2.8
173.08147	2.6
191.05606	7.6
197.04642	2.5
233.06725	21.1
235.42924	2.6
251.78233	2.4
293.08841	33.1
395.01111	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	395.2596
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
57.03453	28.5
60.19802	0.8
61.98837	1.1
62.69646	0.9
69.74323	2.1
72.13204	0.8
77.23774	1.0
87.51603	1.0
96.01025	1.1
116.92846	1.8
121.19836	0.9
135.04488	0.9
161.02443	3.2
163.11301	100.0
164.11647	6.6
180.64552	0.9
204.21532	1.0
207.67722	0.8
208.34909	0.9
219.13899	30.0
220.14250	2.8
311.16907	2.2
337.21774	2.9
359.07584	1.2
395.25934	76.5
396.26187	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	396.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98543	9.6
61.98841	100.0
69.91555	8.2
69.91882	11.4
70.69222	5.9
72.24465	6.6
88.43291	6.3
90.66503	5.9
108.02158	7.5
135.04605	7.7
154.42685	6.1
161.02426	6.8
216.52963	5.9
306.08160	8.0
333.20520	7.0
343.42117	6.6
369.11066	8.3
384.63232	7.4
394.21390	8.0
397.10873	45.5
402.76147	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	396.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	15.4
64.78500	10.6
65.70611	10.0
71.41689	13.9
79.95795	18.9
82.00554	12.1
96.96035	94.3
118.04731	12.8
126.80389	12.4
161.02423	58.9
179.03616	16.9
202.72360	12.0
311.16803	34.2
387.07306	12.7
397.22769	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	396.9814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13407	0.9
59.01386	100.0
60.01716	2.2
63.32140	0.7
69.28188	5.0
71.01412	0.9
72.35960	1.1
85.01477	1.3
98.99402	2.2
101.02436	1.1
117.00416	1.8
132.98232	1.6
135.04544	2.9
141.00479	8.3
157.00061	1.0
157.03560	6.2
159.01509	2.6
161.82332	0.9
167.02107	1.0
167.58531	0.8
172.97716	1.1
174.99271	10.3
199.01030	3.0
201.02580	78.9
202.02739	8.4
211.00941	1.4
214.86336	0.9
214.98885	1.5
217.00331	48.9
218.00676	1.7
235.00380	0.9
251.94098	1.0
256.98288	1.6
286.43585	1.1
293.00092	2.2
298.99414	6.2
308.99438	1.1
315.07156	1.5
337.04379	1.1
376.86594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06103	1.6
59.01381	38.0
71.01370	4.4
72.99319	16.1
74.99376	3.1
83.01391	3.9
85.01453	2.4
98.99381	9.8
99.00875	3.8
101.00957	7.3
102.98898	4.1
109.02988	3.0
111.00872	7.2
112.98718	5.6
115.02496	2.6
117.00458	20.2
123.03020	3.7
125.00952	23.7
126.01078	2.4
126.98888	12.5
127.02522	4.1
131.15604	1.7
141.00461	39.8
142.00632	3.4
143.02026	11.8
144.99945	2.5
149.01012	3.3
150.98877	2.3
153.01881	2.5
155.01993	3.8
156.98436	3.0
156.99983	1.8
157.03568	43.3
158.03749	3.4
159.01501	19.7
166.01277	3.2
166.06924	1.7
166.98427	2.2
167.02008	28.1
168.99968	29.1
170.97855	6.1
174.99335	2.1
183.01486	6.9
183.98705	2.6
184.01039	5.4
191.01949	2.7
192.99899	7.6
196.99406	3.5
198.97697	2.6
198.99463	8.5
199.01039	4.5
201.02570	21.2
202.02626	2.3
208.02280	7.1
208.97922	14.5
209.98026	1.8
211.00987	60.9
212.01138	7.0
215.00624	2.6
217.00424	7.0
222.99464	1.6
224.98897	1.8
225.01013	4.3
226.98932	5.8
227.00789	3.7
230.08633	1.9
234.00186	8.8
235.00993	7.7
235.04610	2.2
236.98862	1.6
241.00537	31.3
242.00763	4.6
243.02046	3.6
250.98961	28.5
251.99107	6.7
254.99997	11.4
255.08366	17.7
256.08505	1.8
257.10934	1.6
259.01526	5.0
265.00549	3.2
267.02090	3.7
269.00024	2.4
271.01538	3.8
280.99814	4.1
283.01636	29.7
284.01761	4.8
285.03094	5.3
293.00064	100.0
294.00253	17.4
299.04547	2.1
308.99582	31.6
309.02960	1.8
309.99689	4.6
311.01093	10.1
314.98718	3.1
323.00980	3.0
325.02594	3.0
325.99878	9.4
327.00177	3.2
336.99210	17.4
337.03894	14.5
337.99280	3.4
338.04245	2.0
354.99969	3.2
397.01495	2.8
397.06290	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	397.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34291	0.8
58.50972	0.7
61.98835	4.8
65.25587	0.7
71.40019	0.9
72.99331	1.1
78.27533	0.7
78.38048	0.7
80.46087	0.9
99.92600	10.2
100.93369	10.6
103.10239	0.8
108.02205	1.1
114.50242	0.7
115.92093	20.5
116.92874	100.0
117.92895	5.8
117.93646	1.5
118.37307	0.8
131.16431	0.9
135.04556	1.8
152.67468	0.7
159.30528	0.8
161.02467	2.5
179.03500	1.2
211.55373	0.8
216.55461	1.0
251.10886	2.3
267.13956	6.7
268.14484	1.5
269.08307	1.0
279.10168	3.4
280.10886	1.4
295.13440	14.9
295.91718	0.9
296.13852	2.2
349.05316	1.3
350.06128	1.8
351.03162	0.9
351.07092	1.0
363.03296	3.1
364.04028	3.0
365.04568	1.1
367.06485	6.3
378.05862	1.9
379.06461	34.6
380.06705	6.2
397.07300	8.3
398.07623	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	397.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	34.0
61.98853	5.3
67.33165	4.5
70.35580	4.3
70.73581	6.8
70.73928	7.3
71.01382	29.1
72.99311	6.6
73.02945	6.5
73.53666	4.8
75.00892	11.8
83.01400	10.5
85.02929	9.0
87.00879	5.4
89.02456	11.9
99.00910	25.5
101.02447	46.1
101.06123	28.2
101.69695	4.6
109.02956	17.8
111.26599	5.7
113.02460	9.1
115.00388	15.6
115.07663	24.6
117.03512	28.1
119.03535	8.4
119.05041	44.8
123.00948	7.5
133.02968	33.8
134.03752	5.2
135.04581	24.9
145.02969	100.0
147.04520	9.3
149.06096	92.6
152.90207	4.9
159.04462	5.3
161.02437	31.1
161.06096	25.6
163.04080	59.2
163.06117	77.4
164.66927	4.8
165.05518	4.8
175.02596	7.8
175.04047	18.4
176.81876	5.0
177.01962	18.9
177.05528	8.7
179.03581	8.9
193.05093	14.8
205.05054	37.7
219.02971	23.5
227.66206	5.0
233.04546	14.8
235.06148	14.4
237.04080	44.3
251.09859	4.9
261.06204	14.4
265.07159	44.4
275.05438	7.2
277.03561	16.5
293.06805	7.9
295.10468	7.5
337.05756	51.4
338.06186	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	397.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.2
71.01395	13.0
71.41769	0.8
72.99309	2.4
73.02949	2.0
77.32652	0.7
83.05045	2.3
84.89453	0.7
85.02978	4.0
87.00885	1.6
89.02454	65.2
89.55929	0.7
90.02802	0.8
91.11714	0.8
95.01450	1.1
96.96674	0.8
101.02457	6.1
107.05036	0.9
109.02952	1.0
113.02463	5.0
117.03485	20.4
118.03793	0.8
119.03597	4.9
119.05041	23.3
120.05374	0.8
123.04506	0.7
131.03522	2.6
133.06577	3.4
135.04535	4.5
145.02974	85.5
146.03282	3.3
161.06085	7.6
163.04031	21.1
163.05389	1.1
177.05611	3.9
179.03514	2.2
179.05519	0.9
205.05066	5.3
233.06589	2.6
235.06168	1.2
241.73232	0.7
243.17033	1.2
251.07748	100.0
252.08142	5.4
259.68384	0.8
265.07239	2.8
287.51495	0.8
307.08344	1.8
349.47015	0.7
370.23602	2.0
379.10529	1.8
397.11401	54.7
398.11789	6.1
398.22964	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	397.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75626	0.3
59.01389	5.3
71.01385	6.4
72.99305	0.4
73.02947	2.4
83.01396	1.0
84.65552	0.3
85.02951	3.1
87.00894	0.9
89.02457	8.8
95.01401	0.5
97.02988	0.4
99.00874	0.6
101.02453	4.0
105.03442	0.6
113.02456	2.2
117.03485	4.1
119.03542	0.6
119.05035	4.3
128.22047	0.4
132.02187	3.6
133.02972	31.1
134.03706	2.3
135.04544	7.5
136.04858	0.8
137.02438	0.6
145.02974	11.4
145.66273	0.4
146.03229	0.4
151.00369	0.4
151.21129	0.4
160.01675	5.7
161.02461	100.0
162.02824	4.3
163.04048	3.8
169.08301	0.4
175.04028	7.5
176.04521	0.5
179.03516	3.7
190.61592	0.4
193.05045	2.2
197.04559	0.4
221.06796	0.4
242.09668	0.4
251.07741	14.2
252.08057	0.9
263.94632	0.4
265.07175	0.5
397.11423	56.0
398.07187	0.5
398.11807	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	397.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81894	0.4
59.01390	3.5
64.61510	0.4
66.10819	0.4
66.21288	0.4
71.01401	2.2
71.40792	0.4
73.02966	0.6
81.03465	0.7
81.27959	0.4
81.42431	0.4
83.01424	0.5
83.05040	1.9
85.02974	1.3
89.02455	3.6
93.03462	0.7
95.01389	0.4
101.02457	1.3
113.02448	1.3
117.03476	1.2
119.05042	100.0
120.05369	4.7
125.48673	0.4
132.02200	3.5
133.02989	2.8
134.03763	5.5
135.04568	2.9
138.00722	1.2
145.02997	3.9
149.06136	0.6
149.12927	0.4
160.01675	12.1
161.02466	7.8
162.02869	0.4
163.04028	79.8
164.04366	3.7
166.14807	0.4
175.04031	18.7
176.04384	1.0
178.02812	1.0
179.03502	1.5
191.07153	0.6
193.05067	5.8
198.02867	1.1
202.02850	0.5
205.05179	0.5
208.18024	0.3
217.05058	0.5
222.24493	0.4
224.17670	1.2
225.16052	0.9
230.49959	0.4
235.06161	0.7
251.07719	5.0
265.07214	0.5
307.08276	0.7
352.22336	2.2
369.25067	0.8
397.03720	1.5
397.11423	7.1
397.19165	0.4
397.24396	1.1
398.11755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15171	0.5
65.53454	0.5
67.43076	0.5
75.10888	0.5
80.91692	1.0
103.38350	0.5
118.05959	0.5
171.33089	0.6
201.09251	2.1
283.16479	0.7
285.18634	59.4
286.19003	6.5
315.19662	100.0
316.20001	11.8
323.18716	0.6
325.16745	1.4
354.87125	0.6
367.17590	1.8
397.18814	5.7
398.11966	0.9
398.19522	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49146	0.3
59.01381	3.4
69.02975	0.3
69.93671	0.9
71.01401	2.0
72.99316	7.7
73.02945	0.6
85.02959	0.8
89.02462	1.0
91.39539	0.3
93.44191	0.3
98.21979	0.5
101.02443	2.0
105.03499	0.5
113.02473	1.0
117.03493	2.3
118.03017	0.7
118.06623	0.4
119.03437	0.3
123.04551	0.5
132.02171	1.4
132.04579	0.6
133.02975	26.3
134.03343	0.7
135.04544	5.7
136.04874	0.3
137.02507	0.3
143.03497	0.3
144.04552	3.7
147.03282	3.1
148.04118	0.6
149.06134	0.7
158.02510	0.9
160.04039	2.4
161.02461	100.0
162.02809	5.6
165.49078	0.3
174.05553	2.4
175.02745	0.5
175.04100	0.6
176.03595	0.6
179.02116	0.4
179.03552	2.2
186.01965	1.2
190.05139	1.1
193.05028	0.5
204.03015	1.1
204.96738	0.3
218.04614	12.1
219.04958	0.6
236.05659	24.4
237.06018	1.6
281.00916	0.5
309.00363	0.7
398.54694	0.3
399.07175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62430	0.5
61.98823	1.3
62.94660	0.4
69.58472	1.4
71.25632	0.4
86.80132	0.4
114.30953	0.4
159.34367	0.4
170.65981	0.4
182.24542	0.4
189.81715	0.5
227.10881	0.6
239.10779	0.8
240.11555	1.3
251.10712	0.6
255.10391	1.3
255.13905	18.7
256.11075	2.1
256.14175	1.4
267.13907	4.8
268.11093	0.5
268.14307	0.7
282.12796	0.6
283.13431	21.2
284.13681	2.2
285.14938	5.2
286.15305	0.9
295.13391	7.0
296.13763	0.8
313.14468	100.0
314.14816	11.4
314.18253	0.9
341.13931	0.7
398.07242	0.7
398.12213	7.1
407.10159	0.4
413.79492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45517	0.6
53.07582	0.7
56.24152	0.6
57.03419	0.7
59.01387	14.5
61.98840	3.8
64.60427	0.7
68.69419	0.6
71.01390	7.7
72.99316	1.5
73.02934	1.6
75.00883	68.7
83.01384	1.0
85.02969	2.2
87.00912	0.9
89.02450	6.0
101.02467	6.1
102.02842	0.7
113.02444	1.8
117.01980	1.6
119.03551	1.4
123.04542	1.1
129.01930	0.8
129.79576	0.8
132.02190	1.0
133.02977	26.9
134.03835	3.6
135.04543	22.8
136.04852	1.1
137.02489	1.9
149.06044	0.9
150.03261	1.0
153.02032	1.0
158.05574	0.7
161.02466	100.0
162.02780	5.6
168.23468	0.6
177.05544	1.1
179.03525	9.8
180.04137	0.8
189.01718	2.0
195.06702	1.1
201.01700	3.9
205.01230	2.0
219.02794	6.6
237.06177	91.8
238.06580	4.3
281.06918	0.7
337.06775	0.8
381.05890	1.1
399.09348	46.0
400.09625	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	399.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07042	0.3
57.03446	1.0
59.01383	1.6
60.47844	0.3
63.02408	0.3
65.00324	1.7
67.01895	0.8
67.50179	0.2
68.99823	1.6
69.03470	0.3
69.40669	1.4
81.03460	0.7
81.34765	0.2
83.01398	8.2
85.02964	0.7
92.86919	0.3
93.03394	0.3
97.02981	0.6
98.22628	0.5
105.03481	0.3
107.01408	2.7
108.02204	0.3
109.02969	4.2
111.00896	0.9
121.02949	0.6
123.04514	0.3
125.02467	7.0
132.02170	0.5
133.03006	0.7
137.02448	0.9
139.04037	1.2
149.02478	2.1
151.00392	15.6
152.00725	0.5
153.01955	100.0
154.02299	3.5
160.01694	3.0
165.01939	0.7
167.03548	1.6
167.04756	0.3
175.04036	3.3
177.01944	2.5
178.02478	0.3
179.03511	0.4
179.97791	0.3
191.03500	0.4
193.04979	0.5
195.02991	4.7
205.01584	0.3
207.03027	0.6
219.02980	0.4
233.04605	0.3
290.11945	0.3
339.07230	3.1
340.07550	0.7
357.08289	0.5
399.08936	5.0
399.13208	1.1
400.09714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01384	1.6
65.00323	1.6
67.01894	0.9
68.99807	1.2
69.29949	0.9
71.01395	0.2
81.03463	0.8
83.01395	7.6
83.60217	0.2
84.01753	0.3
85.02975	0.5
93.03455	0.4
97.02979	0.2
98.22640	0.4
106.69189	0.2
107.01401	2.4
109.02971	3.2
111.00905	0.4
121.02978	0.3
123.04536	0.5
124.01682	0.6
125.02461	5.8
126.02766	0.3
126.61012	0.2
135.04533	1.0
136.94167	0.2
137.02434	0.6
139.04024	0.6
145.03011	0.3
147.04550	0.2
149.02435	2.0
151.00381	14.3
152.00903	0.5
153.01949	100.0
154.02290	4.0
161.02455	0.5
163.04019	0.3
165.01944	0.3
167.03525	0.7
173.02463	0.3
174.59311	0.2
175.04050	0.2
177.01978	1.1
179.03537	0.8
189.02011	0.2
191.03532	0.3
192.00691	0.2
195.03008	1.7
207.02980	0.3
219.02991	1.3
222.61957	0.2
237.04027	0.3
239.05591	0.2
251.05656	0.3
284.03262	0.2
339.07349	1.7
340.07706	0.3
348.22366	0.2
357.07941	0.4
399.09180	4.1
400.09753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37109	1.1
57.03455	56.6
59.01386	36.4
61.98835	100.0
62.11237	1.1
71.01385	3.6
75.00867	6.3
81.03471	2.1
83.00900	1.1
83.01388	2.5
85.02936	1.5
87.00869	1.9
89.02462	1.8
98.21909	3.9
99.00871	1.8
99.04527	59.8
100.04848	1.4
101.02446	12.8
101.06101	3.4
102.06468	1.3
103.06490	1.5
108.02191	1.6
109.02994	1.6
113.79482	1.3
115.00397	1.8
115.07658	3.2
117.03503	1.5
118.99329	1.2
122.03760	1.3
123.04501	3.0
125.02464	31.9
126.02752	1.5
133.02966	3.9
134.03732	4.1
135.04536	40.5
136.04933	1.9
137.02412	3.2
139.00397	1.2
143.03461	1.7
145.02945	3.6
146.03772	1.3
149.06111	4.0
150.03239	1.3
153.01956	6.3
161.02460	13.2
162.02919	1.5
175.02469	1.2
175.03914	1.3
177.01976	4.7
177.05505	1.9
178.02724	2.0
179.03551	11.5
189.01738	7.5
193.05116	1.3
193.08650	2.1
195.06641	2.6
200.86153	1.4
201.01703	9.1
202.99628	2.8
205.01251	3.0
219.02760	15.9
219.06552	2.8
233.04590	1.5
237.05957	6.0
270.98206	1.2
277.03506	8.8
293.06830	1.7
297.07718	1.3
315.07132	2.9
319.04657	3.3
337.05783	1.9
381.05930	2.9
399.08969	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	399.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
57.93366	0.8
59.01390	5.5
62.02198	0.9
71.01382	5.1
71.43714	0.7
71.98531	0.7
72.99319	1.4
73.02961	1.9
74.00087	0.8
81.03503	1.2
83.01398	2.2
85.02956	3.1
87.00908	1.4
91.49075	0.8
95.05019	1.2
101.02487	4.6
104.64117	1.0
113.02472	2.2
117.03477	2.4
119.05042	6.5
123.04520	4.3
125.02454	1.0
132.02122	1.7
133.02979	30.9
134.03731	1.7
135.04549	9.5
137.06090	2.0
139.60667	0.9
145.02979	4.9
149.06114	1.1
153.01973	8.7
161.02466	100.0
162.02840	4.7
163.02847	1.2
163.04041	8.5
164.04407	0.9
171.10283	1.0
173.02415	1.7
175.03958	1.9
179.03543	3.3
188.13223	0.8
193.05032	1.1
193.08736	2.8
195.10286	39.5
196.10562	1.6
197.04588	1.1
201.01906	1.3
219.03084	1.9
234.24721	0.8
359.12738	0.9
399.12976	66.2
400.13193	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	399.1294
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
57.03434	1.3
57.93366	0.8
59.01390	5.5
62.02198	0.9
71.01382	5.1
71.43714	0.7
71.98531	0.7
72.99319	1.4
73.02961	1.9
74.00087	0.8
81.03503	1.2
83.01398	2.2
85.02956	3.1
87.00908	1.4
91.49075	0.8
95.05019	1.2
101.02487	4.6
104.64117	1.0
113.02472	2.2
117.03477	2.4
119.05042	6.5
123.04520	4.3
125.02454	1.0
132.02122	1.7
133.02979	30.9
134.03731	1.7
135.04549	9.5
137.06090	2.0
139.60667	0.9
145.02979	4.9
149.06114	1.1
153.01973	8.7
161.02466	100.0
162.02840	4.7
163.02847	1.2
163.04041	8.5
164.04407	0.9
171.10283	1.0
173.02415	1.7
175.03958	1.9
179.03543	3.3
188.13223	0.8
193.05032	1.1
193.08736	2.8
195.10286	39.5
196.10562	1.6
197.04588	1.1
201.01906	1.3
219.03084	1.9
234.24721	0.8
359.12738	0.9
399.12976	66.2
400.13193	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	399.1299
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
69.03430	0.3
69.36605	1.3
69.36901	0.3
74.58189	0.3
75.81260	0.3
81.03454	1.1
85.02984	0.5
91.58688	0.3
93.03450	0.4
95.01386	0.3
97.68993	0.3
98.21901	0.6
101.06097	3.1
108.02189	100.0
109.02998	21.6
110.03319	0.9
121.02954	0.9
123.04582	0.9
133.02997	0.6
134.03732	0.5
135.00931	0.5
135.04510	0.6
151.04045	1.3
152.01172	54.8
153.01968	16.1
154.02335	0.7
163.04041	1.0
165.01941	0.7
165.65811	0.3
166.52681	0.3
175.39220	0.3
225.04022	0.3
325.91394	0.3
334.13986	0.3
342.29755	0.2
399.13000	56.2
400.13321	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	399.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28924	0.3
53.98439	0.3
80.91692	5.4
97.19019	0.3
112.04860	0.4
113.14429	0.3
125.09711	0.3
136.05347	0.3
164.08414	2.7
165.09229	1.0
178.10036	2.7
179.10796	31.9
180.11162	1.6
193.08867	0.5
210.09044	0.7
299.20172	4.8
300.20538	0.7
317.21234	100.0
318.21576	12.4
331.19272	0.6
339.96744	0.3
351.43555	0.3
357.19263	0.9
399.20422	3.4
400.13382	0.9
400.20685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10537	17.7
50.78896	15.6
56.15870	17.6
59.01390	39.3
69.31539	100.0
77.39172	16.8
84.95111	37.6
94.40394	23.9
98.21851	41.4
103.24939	23.3
111.81876	18.6
119.62376	20.2
170.84673	20.3
177.60237	18.5
182.68091	24.8
198.17317	20.4
244.85924	19.2
276.87970	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56025	5.4
59.01387	9.6
60.55922	4.6
61.98828	4.5
62.39271	4.3
69.50005	8.4
69.50368	18.1
71.01398	4.5
121.02151	8.7
121.02976	100.0
135.04556	10.1
161.02440	8.7
179.03505	6.6
225.05650	9.4
273.26285	4.5
313.07159	26.8
357.06287	10.2
401.08813	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	400.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56025	5.4
59.01387	9.6
60.55922	4.6
61.98828	4.5
62.39271	4.3
69.50005	8.4
69.50368	18.1
71.01398	4.5
121.02151	8.7
121.02976	100.0
135.04556	10.1
161.02440	8.7
179.03505	6.6
225.05650	9.4
273.26285	4.5
313.07159	26.8
357.06287	10.2
401.08813	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	400.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
59.85498	14.2
61.45574	14.3
63.00864	12.9
71.01389	29.5
88.04044	16.8
89.19165	12.1
101.02451	23.4
105.85027	13.4
109.00368	13.7
121.02979	28.2
133.02933	17.1
135.04544	61.6
161.02472	24.8
176.73964	15.4
219.64569	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	400.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.30087	17.9
69.30497	23.6
71.01387	58.4
72.66931	7.3
72.99312	10.2
73.02940	19.1
83.64441	8.2
85.02971	21.0
89.02452	32.1
99.00938	8.3
101.02447	53.1
113.02480	28.2
119.03504	10.6
121.02976	20.4
125.67896	6.5
133.02997	16.1
134.03798	11.6
135.04564	49.4
136.04901	12.2
161.02464	25.4
161.04536	11.7
179.03528	23.9
364.17200	8.5
400.16718	23.9
401.08841	18.3
401.22058	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	400.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99002	14.5
59.01388	15.0
70.53510	29.4
71.98701	11.2
86.40370	11.3
103.48266	12.1
109.02959	14.8
121.02945	100.0
135.04532	26.3
162.22852	11.5
176.15428	10.6
178.41301	11.6
184.61494	12.6
199.21465	12.1
225.05583	21.6
255.03473	14.4
313.07111	20.7
356.57199	13.4
400.09052	15.7
401.08850	26.5
401.16031	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14230	2.6
52.68581	2.8
54.54498	2.6
55.22318	2.8
59.01377	25.1
61.98824	9.2
71.01392	25.8
71.66084	2.8
72.99300	6.3
73.02968	4.3
75.00889	16.4
78.57227	2.8
78.95908	17.7
85.02946	20.0
87.00879	8.3
87.30442	3.1
89.02441	6.4
93.03478	3.4
95.01357	3.8
96.96967	4.6
98.21886	5.2
99.00877	8.7
101.02419	4.2
101.66878	3.9
107.05045	13.7
113.02457	36.2
117.01980	4.1
122.38505	3.1
123.04529	7.3
131.16629	2.8
133.02928	8.5
142.08054	3.2
151.04016	18.4
158.28125	3.3
197.04657	3.9
215.57890	3.3
249.06113	23.1
267.07233	58.2
274.41043	3.0
401.10852	100.0
402.11099	12.6
403.41611	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1094
Annotation	10-Dehydrogardenoside
Peak:m/z	Relative Intensity
59.01385	100.0
69.40522	12.6
71.01389	46.6
72.99321	6.8
73.02956	77.3
75.40774	3.4
81.26146	2.8
83.01395	17.3
85.02954	12.5
89.02440	17.9
95.01452	4.6
97.02966	3.7
101.02459	39.1
109.02991	5.8
111.00894	5.3
113.02466	27.5
116.36662	3.4
121.02977	27.5
123.00903	8.9
123.04550	5.1
125.02451	3.7
133.02974	4.6
135.04518	6.0
137.02451	22.7
138.03198	9.5
139.00415	6.0
139.04015	10.2
153.05583	26.7
155.03508	4.0
161.02496	8.6
164.04807	6.5
166.02704	4.4
166.99890	9.5
167.03558	8.0
179.03531	3.9
179.07164	9.2
180.04297	6.7
181.01459	13.7
182.02249	25.7
182.03630	5.5
194.02243	3.9
195.06557	3.9
196.03725	9.9
197.04575	96.7
204.31848	3.8
209.04543	5.2
211.06174	22.6
239.05655	22.2
239.09386	4.5
251.07802	4.7
281.06625	7.6
341.08615	20.1
356.68912	3.7
401.10892	83.0
402.11267	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	401.1093
Annotation	10-Dehydrogardenoside
Peak:m/z	Relative Intensity
55.01863	1.0
59.01387	15.8
69.71181	2.5
69.71532	1.6
71.01020	1.6
71.01388	20.1
71.26002	0.9
72.99309	2.6
73.02956	3.0
76.14799	0.8
81.03471	0.9
83.01392	2.0
83.23853	0.9
85.02967	7.5
86.06280	0.9
87.00882	1.8
87.04517	1.1
88.08633	1.1
89.02451	61.0
90.02830	1.3
91.01897	7.7
95.01385	2.2
98.22648	1.8
99.00864	1.6
101.02458	8.3
107.01395	1.6
108.02206	8.8
109.02976	9.5
111.00932	1.9
113.02462	6.3
119.03543	1.9
121.02943	1.9
123.00936	1.8
123.04539	27.6
124.04858	1.7
125.02478	1.4
135.04556	3.4
137.02460	1.1
143.03517	1.2
150.03255	2.0
151.00420	5.0
152.01170	6.6
153.01964	8.3
161.02470	2.6
161.04565	3.6
166.01530	1.2
166.02715	7.2
167.03514	56.8
168.03822	3.1
178.72292	0.9
179.03563	1.1
181.05101	5.2
194.02197	5.8
209.04570	29.3
210.04900	1.5
227.38065	1.1
233.06673	5.0
239.05721	3.3
251.07736	29.7
269.06815	8.0
269.10144	6.5
291.06522	1.1
311.07813	6.1
369.08200	6.7
401.10852	100.0
402.11249	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	401.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.9
57.03460	4.3
59.01381	55.7
61.98838	4.5
69.03440	3.0
69.21809	10.4
71.01390	79.0
72.99303	5.0
73.02955	29.8
75.00877	3.5
83.01407	13.2
85.02959	38.6
87.00896	3.3
89.02452	15.3
89.26292	2.0
95.01405	10.2
97.02948	2.9
99.00895	11.1
101.02454	65.3
107.04991	2.1
109.02982	3.0
113.02464	33.7
121.02998	8.5
122.08610	2.0
123.04518	3.6
131.03479	2.6
131.51186	2.0
135.04549	15.9
143.03510	5.1
143.17604	2.0
159.03021	7.5
161.02504	4.0
161.04573	56.5
167.03505	2.5
167.07156	2.2
182.25432	2.1
191.05687	2.1
197.04552	3.7
205.03514	2.5
226.09879	2.2
233.06711	2.8
269.10333	100.0
270.10654	8.1
401.09644	10.5
401.14835	30.3
402.14798	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	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
62.74842	3.4
71.01386	30.9
73.02951	38.5
83.01387	7.7
85.02956	4.5
89.02457	13.4
95.89075	3.4
98.21817	8.4
101.02455	31.3
109.02946	5.3
113.02469	15.2
119.03536	5.9
119.05047	18.5
121.02922	7.6
123.00920	4.4
131.03505	3.9
135.04558	8.0
137.02467	4.5
138.03178	3.8
153.01949	4.9
155.03412	4.1
161.04559	7.3
195.02989	6.1
197.04597	20.1
239.05634	5.1
255.05202	11.3
281.10248	17.4
299.11298	6.5
341.12149	4.6
357.17734	5.1
401.10791	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51582	1.6
56.87270	1.6
59.01389	100.0
68.46647	1.6
69.75608	5.2
71.01363	3.5
83.31476	1.7
87.40711	1.6
89.02452	3.8
98.22569	3.7
101.02491	2.1
121.02959	3.1
123.04536	2.3
135.04482	3.9
146.03775	21.0
161.06056	4.7
162.52588	2.0
164.04819	15.0
175.94832	1.6
179.07156	62.3
180.07516	3.5
190.18080	2.0
197.04475	3.0
235.00052	1.8
279.68900	1.6
401.10641	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	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67783	2.1
59.01374	16.4
71.01381	9.6
71.42673	2.1
72.99297	7.1
85.02962	5.1
89.49957	2.3
99.00923	2.3
101.02438	6.2
109.02943	6.5
113.02452	3.5
116.92879	3.7
117.92882	2.8
118.92661	3.1
121.02969	4.2
133.02971	7.4
135.04530	32.1
135.11821	3.9
136.04839	11.0
137.09766	5.1
151.04018	2.8
161.02473	15.1
161.04532	11.5
179.03490	11.7
179.10797	100.0
180.11176	7.7
197.04680	5.0
203.58597	2.4
229.36623	2.9
239.12729	3.3
239.92841	3.0
304.51141	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67783	2.1
59.01374	16.4
71.01381	9.6
71.42673	2.1
72.99297	7.1
85.02962	5.1
89.49957	2.3
99.00923	2.3
101.02438	6.2
109.02943	6.5
113.02452	3.5
116.92879	3.7
117.92882	2.8
118.92661	3.1
121.02969	4.2
133.02971	7.4
135.04530	32.1
135.11821	3.9
136.04839	11.0
137.09766	5.1
151.04018	2.8
161.02473	15.1
161.04532	11.5
179.03490	11.7
179.10797	100.0
180.11176	7.7
197.04680	5.0
203.58597	2.4
229.36623	2.9
239.12729	3.3
239.92841	3.0
304.51141	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01718	1.2
69.39344	1.1
69.39746	1.5
71.01389	20.1
72.99310	1.2
75.54239	0.5
85.02982	2.2
87.00957	0.6
89.02454	25.8
95.01406	1.1
101.02444	7.3
113.02464	7.4
119.03506	9.7
119.04302	0.5
131.03542	1.4
134.81195	0.6
135.04579	1.1
143.03593	1.8
149.04544	0.6
161.02531	1.1
161.04614	2.1
179.05630	7.0
179.06982	0.7
219.73138	0.6
341.40839	0.7
347.07870	0.6
349.50809	0.6
405.69888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07392	0.6
54.36333	0.5
59.01366	1.2
60.40085	0.5
60.80768	0.5
68.57927	0.5
69.11406	3.1
72.99316	7.3
93.03444	4.2
109.02962	2.2
118.63621	0.6
121.02970	21.3
133.02943	2.0
134.03746	0.8
135.04536	4.6
139.04031	6.0
147.00858	3.3
148.04033	1.0
149.01283	1.4
149.02455	13.1
150.02846	0.9
150.05626	0.5
161.02451	5.5
162.01968	16.0
162.03210	1.0
163.02792	8.1
164.03508	1.2
175.02769	6.3
176.03571	2.7
178.05093	1.0
179.03522	2.1
190.01466	5.8
190.05077	3.4
191.02266	14.4
192.03003	3.7
197.04556	0.9
202.01509	0.5
203.03339	0.6
206.04625	5.5
208.06085	0.7
219.01686	1.9
225.05713	0.7
234.04083	4.7
237.02808	2.1
252.05063	3.2
253.05414	0.6
268.06311	0.6
295.06122	1.7
296.05927	0.8
297.06430	0.9
298.07178	1.0
300.08856	0.8
311.08121	0.6
312.05496	1.0
312.08881	1.7
313.06467	0.8
314.06882	0.8
326.06625	2.9
328.08273	4.6
329.08994	0.6
332.66864	0.6
340.08237	3.4
356.07788	11.6
357.07993	1.5
374.08707	1.7
384.07297	4.8
402.08331	100.0
403.08673	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	402.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07392	0.6
54.36333	0.5
59.01366	1.2
60.40085	0.5
60.80768	0.5
68.57927	0.5
69.11406	3.1
72.99316	7.3
93.03444	4.2
109.02962	2.2
118.63621	0.6
121.02970	21.3
133.02943	2.0
134.03746	0.8
135.04536	4.6
139.04031	6.0
147.00858	3.3
148.04033	1.0
149.01283	1.4
149.02455	13.1
150.02846	0.9
150.05626	0.5
161.02451	5.5
162.01968	16.0
162.03210	1.0
163.02792	8.1
164.03508	1.2
175.02769	6.3
176.03571	2.7
178.05093	1.0
179.03522	2.1
190.01466	5.8
190.05077	3.4
191.02266	14.4
192.03003	3.7
197.04556	0.9
202.01509	0.5
203.03339	0.6
206.04625	5.5
208.06085	0.7
219.01686	1.9
225.05713	0.7
234.04083	4.7
237.02808	2.1
252.05063	3.2
253.05414	0.6
268.06311	0.6
295.06122	1.7
296.05927	0.8
297.06430	0.9
298.07178	1.0
300.08856	0.8
311.08121	0.6
312.05496	1.0
312.08881	1.7
313.06467	0.8
314.06882	0.8
326.06625	2.9
328.08273	4.6
329.08994	0.6
332.66864	0.6
340.08237	3.4
356.07788	11.6
357.07993	1.5
374.08707	1.7
384.07297	4.8
402.08331	100.0
403.08673	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	402.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	8.3
61.98847	18.5
80.86636	7.6
84.00933	25.0
99.26858	7.2
116.92879	10.9
148.81429	8.3
179.10802	18.4
231.55499	7.3
238.36404	8.0
258.36005	7.8
289.09219	7.4
317.21292	100.0
318.21625	21.3
320.22067	7.3
392.34000	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	403.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84092	2.3
59.01382	9.8
60.99302	14.2
69.04143	21.0
88.98813	100.0
107.59924	2.7
109.02982	2.8
133.02982	4.6
134.03734	6.5
135.04535	79.3
136.04842	4.6
161.02423	15.8
173.08163	3.0
173.66020	2.8
179.03523	48.8
180.03946	2.5
222.92412	3.2
403.10471	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	403.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	15.4
69.10410	1.3
69.10816	3.4
72.16756	0.7
76.54558	0.8
88.98813	100.0
89.99158	1.4
109.02978	1.0
123.04456	0.7
123.60501	1.0
133.02965	3.3
161.02466	17.3
162.02846	1.0
271.42331	0.8
313.07291	3.7
318.90900	0.7
329.23270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1036
Annotation	Conyzatin
Peak:m/z	Relative Intensity
58.45049	0.5
72.99311	0.7
98.22693	1.2
107.04145	0.5
109.02945	1.9
135.04533	1.2
161.02495	0.6
163.19804	0.5
223.04178	0.6
225.05594	0.6
239.03502	0.5
240.04324	1.9
251.03476	0.8
252.04298	0.5
255.03070	0.5
267.02954	4.3
268.03821	5.5
269.04449	1.7
282.05478	0.7
295.02457	1.9
299.05164	0.7
311.05713	0.9
313.03494	0.7
327.05124	100.0
328.05695	20.6
329.06424	0.8
352.87866	0.5
355.04681	2.6
356.05392	60.1
357.05652	5.7
363.66531	0.6
371.07721	25.1
372.07928	2.3
403.10391	55.1
404.10568	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	403.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40898	0.8
59.01377	3.4
66.69376	0.9
72.99313	7.4
81.03455	0.9
93.03455	1.2
94.77663	0.8
98.85890	0.9
105.03423	0.9
108.02184	1.2
109.02958	4.4
121.02966	1.4
122.03768	2.7
123.04548	10.9
124.01662	1.3
125.78304	0.9
132.02168	10.3
133.02989	7.4
134.03763	14.1
135.04543	10.3
137.02461	20.3
138.03246	3.5
141.35774	0.9
149.02452	3.4
149.06104	2.4
150.03244	100.0
151.04045	24.4
152.04388	1.2
153.05594	1.3
160.01677	41.1
161.02409	4.5
165.05594	40.5
166.05962	2.1
175.04022	60.0
176.04353	3.8
178.02724	3.9
193.05084	19.3
194.02222	2.2
195.03004	28.4
196.03302	1.0
209.04581	22.5
210.04938	1.1
212.03304	7.1
217.07178	0.9
218.45804	1.0
227.05621	15.9
240.06889	0.9
242.08249	27.7
243.91048	0.9
263.65961	0.9
281.08127	1.0
318.69788	1.1
361.18820	1.1
403.12009	1.3
404.13419	2.9
414.95514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28236	0.3
59.01374	0.7
61.49672	0.4
64.01894	0.4
71.01388	0.6
72.99297	0.4
73.89894	0.4
80.05071	2.1
93.03456	1.1
94.03048	0.4
94.06594	0.6
95.03764	0.5
95.05036	0.5
98.21798	0.9
103.04259	0.7
104.05070	2.1
106.02979	0.6
106.06676	0.5
107.03811	0.7
108.04579	1.0
116.05037	0.7
119.03715	0.5
120.04561	1.2
121.02975	0.6
121.05383	0.5
122.06138	9.5
124.07713	2.2
128.83295	0.4
130.02985	2.2
130.06642	0.5
131.03780	4.2
132.04567	21.8
133.02962	0.9
133.04945	0.9
134.06146	1.1
135.04498	1.6
136.04022	0.4
137.02502	1.2
145.05344	0.4
146.02475	1.2
146.06137	1.3
147.03270	4.0
148.04103	1.9
150.05606	4.8
154.06718	0.5
156.08127	0.7
158.02493	7.8
158.06200	0.7
159.03244	1.3
160.04063	12.0
161.02533	2.2
161.04845	2.2
162.05652	4.3
172.11330	1.3
174.05646	3.0
175.02736	1.3
176.03561	10.5
176.07153	4.2
177.03941	0.6
178.08624	0.5
179.03497	0.6
180.03052	0.6
180.08234	0.8
182.06194	0.9
182.08331	0.5
183.09283	2.5
184.06430	0.9
184.07698	2.5
185.03601	0.5
185.07176	1.2
186.04289	0.5
187.05070	0.7
187.08667	0.6
190.05119	19.4
191.05795	2.1
192.06589	1.0
194.09842	0.6
195.07004	0.4
195.09232	0.7
196.06268	0.7
196.07878	0.4
196.09769	0.5
196.11469	2.4
197.04832	0.9
197.07166	1.2
197.08731	0.6
198.04425	1.7
198.09280	1.0
199.05139	0.8
199.08743	1.8
200.07233	0.6
200.09251	0.4
202.05066	0.7
204.02979	0.8
209.07228	3.0
209.10858	0.6
210.05702	1.0
210.07700	0.8
211.04988	0.9
211.06699	0.7
211.08768	2.4
211.12418	6.1
212.05774	4.2
212.10899	3.3
213.06789	2.3
213.10458	1.5
215.11882	6.3
220.02460	1.8
222.09337	0.9
223.05009	0.6
223.08725	5.4
224.07233	2.1
224.09537	18.3
225.06474	1.8
225.08054	2.5
225.10052	0.8
226.07460	5.1
227.08244	8.3
227.11786	0.9
228.08833	1.0
229.09758	0.8
234.04057	2.3
235.04915	1.2
237.10231	1.9
238.08714	1.6
239.04684	1.9
239.08339	3.9
239.11913	30.4
240.05305	1.0
240.10255	8.0
240.12405	1.8
241.09830	13.3
242.10216	1.3
243.11356	0.5
249.06601	1.1
250.07515	3.1
251.07922	0.6
252.05310	2.0
253.06195	33.3
253.09657	1.2
254.03401	0.9
254.06795	4.3
255.07780	5.1
255.11426	9.9
256.08261	0.9
259.11011	0.5
265.07175	0.6
265.09839	4.2
266.07870	1.3
267.04327	0.6
267.07736	9.3
267.74493	0.4
268.08536	12.1
269.08871	0.8
271.07300	0.8
271.10455	0.4
272.12970	0.7
281.09341	9.7
283.10907	80.4
284.11282	7.6
285.08798	0.5
287.10352	1.5
294.06277	1.0
299.10339	0.8
309.08826	26.0
310.09207	2.9
311.06528	0.5
315.13538	2.3
327.09879	85.7
328.10242	8.1
341.11475	2.9
342.20624	0.4
353.07742	4.1
359.12558	3.6
371.08865	100.0
372.09183	10.6
385.10315	0.5
403.11505	45.5
404.11798	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1404
Annotation	(+)-8-Hydroxy-alpha-conidendric acid methyl ester
Peak:m/z	Relative Intensity
59.01374	1.4
59.48381	0.5
64.01920	0.6
66.00307	0.5
68.51150	0.7
71.42859	0.6
72.99319	1.9
88.04082	0.9
93.13251	0.5
107.57944	0.5
108.02184	1.7
109.02975	4.2
111.00890	1.0
119.05007	0.8
121.02959	1.6
123.00880	0.7
123.04543	1.8
124.01695	0.6
132.02165	0.7
133.02992	2.0
134.03766	10.2
135.00925	1.3
135.04596	3.1
136.01683	5.5
137.02501	2.8
138.03235	1.4
139.00389	2.9
139.04045	1.1
145.02994	3.4
146.03754	10.6
147.04512	1.1
148.01709	0.9
148.05219	0.6
149.02490	2.8
149.06113	5.9
150.03246	2.3
151.04047	5.8
152.01202	2.7
153.01987	1.8
160.01701	4.2
161.01132	0.6
161.02460	10.3
161.06149	4.2
162.03229	6.5
163.00389	5.1
163.04065	1.7
164.01167	2.3
164.04811	7.3
165.01953	2.1
165.05464	1.0
167.03542	2.3
168.00638	0.8
173.02437	1.0
174.03281	1.7
175.04019	2.8
176.01172	1.1
177.01941	2.5
177.05603	2.0
178.02769	5.2
179.03528	6.3
179.07161	11.9
180.04346	1.2
180.07518	0.8
181.05093	0.9
183.02975	1.4
191.03622	1.1
192.04274	1.7
193.01443	1.4
193.05054	4.2
194.02243	0.7
194.05815	0.7
195.03020	2.5
195.06703	2.6
196.63776	0.5
197.04536	0.8
198.03354	0.6
203.03505	0.8
206.00876	3.2
207.02992	7.7
210.05354	1.1
211.06122	1.2
213.05426	0.8
219.02960	0.6
221.04581	1.5
222.05284	4.1
223.06090	1.7
224.01987	1.3
225.05629	1.1
225.07813	1.1
234.05441	0.7
237.07637	4.0
241.05061	2.3
242.03079	0.9
242.05759	0.8
249.07777	0.9
251.03610	3.0
253.05038	1.1
254.05846	1.3
255.06554	0.7
257.08139	0.7
265.04935	0.7
266.05807	0.9
269.04623	7.9
269.07721	0.8
270.05365	3.0
281.04712	1.3
282.05353	2.2
283.06110	2.0
283.10846	0.6
284.06937	20.7
285.07620	10.0
295.81552	0.6
296.06757	0.6
297.07755	2.8
298.05362	0.9
298.08545	2.2
299.09268	36.1
300.09909	10.9
301.10602	1.5
309.07693	0.8
310.04980	0.8
311.09232	1.4
312.09973	1.2
313.07266	4.6
313.10867	2.6
314.07910	1.3
314.11465	5.8
315.08902	1.1
315.12335	5.9
325.07156	1.8
327.08609	1.3
328.09598	4.9
329.10242	1.8
340.09402	3.0
341.10068	0.8
343.08203	4.8
343.11942	16.2
344.12201	1.7
355.08029	1.0
355.11908	1.7
358.10687	8.2
359.10965	1.3
370.10767	0.7
373.12970	100.0
374.13275	12.3
385.13126	1.2
388.11841	0.8
403.09747	0.9
403.14127	9.7
404.06299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01694	1.5
68.36617	0.9
69.24604	5.6
71.01385	2.0
72.99313	1.0
74.22830	0.9
85.02950	1.7
99.36139	1.0
101.02453	1.3
109.02981	2.3
109.42687	0.8
113.02443	2.3
133.02983	1.7
135.04523	7.5
135.34433	0.9
136.04906	1.2
154.64229	0.9
161.02477	3.6
179.03511	1.9
199.03996	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
58.00592	1.5
59.01387	87.1
60.01706	1.1
67.05515	1.7
69.29530	2.8
71.01389	41.4
72.01730	1.0
72.99316	2.3
73.02959	1.6
73.44119	0.9
83.01416	1.8
85.02950	8.6
87.00888	1.7
89.02457	47.5
90.02835	0.9
91.29698	0.8
95.01412	2.3
98.03666	0.9
98.21951	1.7
99.04531	5.5
101.02451	21.9
109.02961	3.0
111.04531	1.8
113.02471	14.5
119.03521	19.8
124.05320	3.1
125.02453	1.0
131.03474	2.0
135.04550	1.9
135.11824	4.7
143.03535	2.7
149.04561	1.6
161.04562	2.0
161.09737	3.0
164.30045	1.0
179.03456	1.1
179.05655	6.1
179.10796	42.5
180.11157	1.8
223.09781	100.0
224.10063	7.1
293.08157	1.4
321.04178	1.0
403.11703	2.0
403.16089	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	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06006	1.2
57.61501	1.3
59.01387	100.0
60.01711	1.6
61.98845	3.3
71.01381	6.1
72.43923	1.2
73.02968	2.0
74.30797	1.1
77.31879	1.2
89.02457	2.4
97.99206	1.1
101.02454	2.0
103.16267	1.1
109.02995	3.3
109.99680	1.1
113.02448	1.4
121.02980	2.3
135.04546	1.5
143.28590	1.3
160.84192	2.3
161.04584	4.1
166.06358	12.9
181.08743	14.1
203.44281	1.2
210.06952	1.1
213.46954	1.5
313.54904	1.4
403.12253	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39481	0.5
53.96925	0.6
54.67107	0.7
59.01382	6.4
70.54807	0.8
71.01407	3.1
73.02960	4.3
73.70117	0.6
83.01377	0.9
86.46394	0.6
99.04530	100.0
99.25146	0.7
100.04876	2.7
101.02464	1.7
101.69741	0.7
102.69350	0.6
109.02961	1.2
113.02456	1.6
119.34144	0.7
121.02972	0.7
135.04587	0.9
141.05608	1.7
145.69299	0.6
171.06688	0.9
199.09737	0.7
205.17429	0.8
403.08685	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	403.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.4
57.03450	6.3
58.00603	1.4
59.01385	72.5
60.01708	1.0
67.47324	0.6
69.03463	1.5
71.01389	100.0
71.05029	0.8
72.01735	1.7
72.99321	2.5
73.02954	32.8
75.00878	1.7
81.03454	1.2
83.01398	13.1
83.01889	0.7
83.05054	1.9
85.02959	44.1
86.03321	0.7
87.00892	3.9
89.02457	30.0
94.34608	0.6
95.01395	9.0
95.90582	0.6
97.02968	2.9
97.06615	0.7
99.00896	10.9
99.04535	10.0
101.02453	77.7
102.02787	1.7
109.02974	1.3
109.06615	0.7
111.00891	0.8
111.76593	0.6
113.02462	41.3
113.06113	1.5
114.02781	1.3
119.03521	16.1
123.08186	1.9
125.02485	2.0
125.06106	3.3
125.09724	0.8
128.03561	1.5
129.01949	1.5
131.03532	1.6
135.04536	2.5
136.05309	1.4
137.09692	0.7
139.07678	2.5
141.09273	1.3
143.03534	5.2
143.04668	3.0
143.07158	1.7
149.04601	1.2
151.07671	2.9
153.09186	1.3
159.03003	9.9
159.04279	1.0
160.00813	0.8
161.04573	43.5
161.09746	7.5
162.04955	1.4
164.08391	0.9
165.00542	0.6
165.09218	2.2
167.10820	1.4
169.08716	4.1
175.07697	0.8
177.12859	0.7
179.05629	1.8
179.10818	3.9
187.11343	0.9
190.10034	0.7
191.10771	1.4
205.12326	4.9
208.11147	0.7
223.13431	6.3
241.14481	12.8
272.08954	0.9
306.07590	3.2
403.11279	1.5
403.19815	42.1
404.20038	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	403.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47659	17.7
55.99039	18.8
59.01377	26.7
61.19213	19.6
61.98829	83.7
62.20535	17.0
72.99313	20.7
88.54568	18.4
88.98795	28.0
93.13499	22.1
102.51027	20.4
105.44004	23.4
121.02957	26.2
125.87357	45.2
127.87037	100.0
233.66498	20.8
249.31984	23.3
402.95493	35.2
403.07739	42.0
403.94666	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	1.5
64.01923	24.6
65.99834	1.8
72.99316	32.5
74.11996	1.1
76.21181	1.1
78.35825	1.1
95.01390	3.6
98.21915	3.1
101.25222	1.2
105.03481	1.3
106.03004	16.7
108.02183	1.1
109.02987	3.0
121.02958	2.2
122.03749	7.2
123.00918	2.4
123.03223	1.8
123.04572	7.1
124.04047	2.8
133.02956	10.9
134.02504	5.3
134.03741	25.1
135.04539	17.1
136.03967	1.9
136.04916	2.1
137.02461	11.8
137.63559	1.1
138.03212	3.2
139.04024	2.5
149.02391	1.3
150.02080	1.4
150.03250	3.1
151.02863	1.8
151.04007	22.8
152.03502	6.7
161.02460	16.4
162.01950	6.8
163.02785	1.6
167.03465	1.9
168.03030	11.7
176.54654	1.1
177.01924	4.1
178.02737	29.5
179.03494	18.4
180.03014	36.1
195.03026	8.9
196.03746	2.1
197.04573	1.1
224.01999	6.4
242.03087	100.0
243.03429	4.1
261.30783	1.0
313.07294	1.4
333.13623	1.7
380.95050	1.0
401.35675	1.1
404.06271	10.0
405.06668	1.6
418.57037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
64.01929	23.4
64.85232	0.6
65.99850	1.3
70.55016	0.7
70.55363	1.3
71.01418	0.6
72.99316	30.8
90.03462	0.6
95.01395	2.2
95.05020	0.6
100.26212	0.7
105.03471	1.7
106.03002	14.4
109.02980	1.5
121.02976	2.7
122.03763	7.4
123.00920	1.7
123.03297	1.9
123.04536	7.0
124.01685	1.2
124.04080	3.1
133.02982	11.3
134.02509	7.5
134.03746	24.0
135.04561	15.3
136.04054	1.7
137.02461	10.6
138.03276	3.4
139.04028	1.9
149.02521	0.8
150.02084	1.1
150.03221	3.7
151.04025	27.6
152.03514	5.9
161.01137	0.9
161.02463	16.1
161.06081	0.8
162.01949	7.5
162.03001	0.8
163.02710	0.8
167.03546	1.6
168.03024	13.5
177.01942	4.6
177.03249	0.7
178.02734	33.3
179.03514	18.7
180.03024	32.0
181.03430	1.9
195.02989	7.3
196.03780	1.4
200.80574	0.7
224.02029	5.9
242.03079	100.0
243.03410	5.6
248.63406	0.7
253.42049	0.6
259.45651	0.7
270.08957	1.0
313.07162	0.9
404.06229	8.6
405.06509	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.1
61.98834	100.0
69.82579	11.5
78.95903	19.4
85.00073	6.0
93.03468	10.1
101.02460	9.7
133.02939	10.0
135.04529	10.7
137.02429	25.3
138.02802	21.7
143.21547	5.8
150.03227	15.2
161.02443	67.4
165.05589	11.4
179.03455	14.1
195.06694	14.8
195.32146	6.7
225.17194	6.5
341.08682	31.0
398.24512	6.7
404.12726	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04324	0.7
55.00868	0.7
58.02980	1.1
59.01382	13.6
61.98837	49.5
64.72478	0.8
69.40023	3.5
71.01394	13.0
72.99291	1.0
73.02948	1.3
74.02476	3.2
80.06410	0.8
85.02947	1.6
87.00882	16.3
87.05655	1.3
89.02425	1.7
98.22665	1.5
99.00883	0.8
99.05653	2.5
101.02422	1.6
109.02962	1.4
113.02464	1.7
115.00381	35.6
118.49624	0.8
119.03480	0.9
128.03551	5.2
133.02974	1.8
135.04547	8.6
135.05539	1.1
137.02419	1.1
139.99403	2.1
143.04640	7.2
149.06087	1.1
155.01753	2.0
160.00768	2.4
161.02454	9.7
167.72266	0.9
175.02495	100.0
177.05577	4.0
179.03479	12.6
193.05104	2.0
207.06728	1.2
210.08960	1.0
211.02501	1.0
213.35304	0.7
221.04559	4.8
233.04541	1.9
251.05634	6.5
253.34315	0.8
254.07834	1.5
272.08786	3.8
281.06668	12.4
282.07089	0.8
288.06689	0.9
306.07617	9.8
309.06104	1.0
341.08835	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	404.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06465	1.5
52.76488	1.4
59.01389	22.0
61.98837	100.0
70.77526	2.3
71.01395	9.6
85.02995	1.8
87.00885	4.9
89.02445	5.8
101.02446	4.7
106.53284	1.7
113.02452	4.1
115.00377	9.7
119.03525	3.0
122.34907	1.5
133.02983	4.4
134.03677	2.1
135.04538	25.1
149.06117	4.0
161.02469	24.2
161.04572	1.9
162.02780	2.0
175.02505	29.3
177.05565	8.6
179.02037	2.8
179.03514	32.5
180.03917	2.5
221.04582	13.5
230.63419	1.8
251.05670	15.0
281.06683	28.5
341.08783	31.6
342.09009	2.6
404.16266	5.3
412.04388	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.98521	0.2
70.94370	0.2
99.60685	0.2
100.71252	0.2
120.46394	0.2
137.73921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58577	1.4
58.02979	11.3
59.01382	4.2
66.03493	1.8
70.02966	1.9
71.01392	3.2
72.00898	2.6
74.02482	24.6
78.68009	1.3
81.04566	1.8
82.03004	1.9
84.04552	1.7
86.02491	9.3
86.99120	4.2
87.05632	8.6
88.04060	1.3
89.02453	1.8
90.00204	2.8
97.04105	3.0
99.05657	28.5
101.02415	2.6
101.07211	2.6
102.05624	4.9
104.44454	1.2
109.04099	4.7
111.05630	2.1
111.54480	1.4
112.04066	4.0
116.01772	1.8
123.05631	2.3
127.05168	5.0
128.03555	72.6
132.76050	1.7
135.05684	6.3
137.07228	3.0
141.06689	8.6
143.04637	95.9
144.05011	2.9
145.06227	3.0
146.04623	8.8
153.06670	7.7
160.00758	28.1
166.09863	4.0
167.04678	6.3
167.08269	2.1
177.03429	10.3
179.04628	16.6
181.06155	3.1
185.05751	4.5
190.87335	1.6
197.05725	3.3
210.08864	16.0
231.04568	1.8
242.07806	3.1
254.07832	27.1
272.08887	42.4
273.09207	3.6
288.06598	12.6
306.07663	100.0
307.07932	6.5
345.96179	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.0
60.01731	0.3
61.98843	3.6
66.62215	0.3
69.31635	1.8
71.01389	10.4
72.01725	0.4
72.99309	0.7
73.02942	1.0
78.91890	0.6
83.01386	0.7
83.05029	1.0
85.02956	1.6
87.00346	0.8
87.00886	14.2
88.01258	0.4
89.02495	1.0
98.21859	0.6
99.00872	0.6
101.02448	1.4
102.02741	0.3
109.02974	1.1
112.98856	0.3
113.02464	0.8
115.00387	35.7
116.00733	0.4
117.34142	0.3
119.05139	0.4
127.00436	0.4
135.03021	0.8
135.04515	0.8
139.99371	0.5
150.26768	0.3
155.01665	0.4
160.50385	0.4
161.02454	0.7
161.04610	0.4
167.03474	0.4
174.03056	0.4
175.02499	100.0
176.02876	3.4
179.03526	0.5
181.05132	0.5
193.05049	2.3
201.02046	0.5
207.06657	0.4
217.21797	0.4
233.04591	1.4
233.22533	0.4
251.05551	0.6
309.06149	0.8
367.16339	0.6
375.28024	0.4
405.05673	0.5
405.17636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71213	0.5
57.03448	0.5
59.01389	13.7
61.98839	10.1
69.28426	2.8
71.01391	13.8
72.99310	1.2
73.02951	1.3
75.00918	0.8
76.44110	0.5
78.91888	0.7
83.01415	0.8
85.02959	1.9
87.00889	17.8
89.02470	2.7
96.46945	0.5
99.04523	1.5
101.02467	2.0
104.58301	0.5
109.02966	1.2
112.98850	0.4
113.02469	2.1
115.00396	38.6
116.00723	0.9
118.89302	0.5
119.03558	0.9
119.05057	0.7
125.02473	0.5
128.78304	0.6
135.03008	0.8
135.04512	2.8
136.04892	0.5
137.02475	2.1
139.00401	1.7
161.02477	0.9
161.04575	0.6
167.03516	0.9
175.02507	100.0
176.02850	3.4
179.03459	0.9
180.03857	1.0
181.05136	1.1
183.10291	1.4
193.05064	2.2
211.02597	2.5
226.05730	0.5
233.04578	1.2
251.05663	0.8
282.06879	1.1
309.06210	0.9
337.09717	0.5
342.09229	0.8
405.05585	0.7
405.17371	1.2
405.22205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16703	0.5
56.93447	0.5
59.01385	0.9
59.03824	0.4
69.25864	1.0
69.26262	2.4
83.60126	0.5
87.64637	0.5
93.03457	1.3
98.22618	1.0
102.50235	0.5
108.02201	1.1
121.02959	5.5
122.03766	6.3
123.04541	1.9
133.02995	0.6
136.01691	2.9
148.01663	0.9
149.02457	2.1
149.06131	0.6
150.03238	100.0
151.03827	5.5
163.03989	0.8
165.05583	86.6
166.05946	3.3
179.07094	2.0
180.04306	11.8
194.05821	1.0
195.06638	85.9
196.06985	4.6
209.04565	11.5
209.07994	0.5
226.92789	0.5
255.06506	1.4
266.05862	0.6
283.06058	1.9
313.10681	2.4
314.63846	0.5
328.09430	0.9
343.11746	1.7
344.12296	0.7
405.11783	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02386	1.1
61.98833	6.5
69.03463	56.0
69.25418	1.7
69.25823	4.1
70.03784	2.2
79.01900	41.2
81.01207	1.0
81.03445	2.0
93.03465	1.0
95.01380	2.7
97.02360	2.0
97.02962	34.3
98.21838	2.0
107.01403	76.6
108.02238	8.8
109.02993	6.3
119.05080	1.1
121.02975	6.2
123.00882	3.6
125.02460	50.3
126.02783	1.3
133.02975	3.9
134.03760	1.5
135.00865	2.4
135.04539	4.0
136.01686	7.3
137.02431	5.3
145.02899	2.7
149.02440	4.2
151.00389	71.8
151.04005	1.6
152.00919	4.2
153.01955	14.9
159.78708	1.1
161.02478	7.5
163.03983	7.6
177.01941	10.3
179.03410	1.3
181.05032	1.1
189.01950	1.3
197.06065	5.9
198.06822	1.0
207.03096	2.0
213.05820	1.0
242.05869	100.0
243.06586	54.6
244.06961	3.9
266.31662	1.2
284.37317	1.0
285.07715	5.5
297.06094	16.4
405.11887	14.2
406.12146	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74781	1.7
59.01385	7.2
66.09957	1.7
68.01301	1.7
68.99826	2.6
70.08592	1.6
71.01391	4.1
72.99308	11.2
84.99329	4.5
85.94736	1.9
87.00900	8.9
93.03456	4.5
101.06098	3.0
112.98828	66.6
117.03473	3.9
119.05044	100.0
120.05391	4.8
121.02975	2.2
123.04546	2.5
127.07669	10.6
130.99899	2.2
131.05028	2.0
133.02913	2.4
134.03732	3.3
135.04553	26.7
136.04913	1.7
143.05078	3.2
145.02953	24.9
147.04527	17.7
149.06076	3.6
161.02510	3.2
161.06113	5.5
163.04037	92.9
164.04359	4.7
169.08630	8.8
175.04066	9.2
177.05635	3.9
179.03526	17.7
189.05551	2.9
197.04402	1.9
203.03528	40.4
204.03926	4.0
205.05121	3.3
215.03522	7.3
233.04636	3.7
259.02444	6.0
277.03558	38.2
278.04031	3.8
285.12646	2.3
405.21179	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06188	3.2
59.01387	100.0
61.98835	22.5
71.01385	58.5
71.41016	3.6
72.99297	4.5
73.02959	4.6
85.02930	7.3
87.00850	5.1
89.02455	63.2
98.99390	4.3
101.02451	26.6
113.02455	13.8
117.00456	7.8
119.03506	19.7
121.02969	9.0
122.02512	4.6
125.02449	3.6
135.04613	3.4
139.04056	6.6
141.00446	15.0
142.87447	3.6
143.00139	5.1
146.30836	3.5
149.02423	14.8
161.04539	3.7
165.05557	6.7
177.01945	79.3
179.05600	6.6
183.06638	17.3
192.04300	38.7
195.03018	6.6
207.06555	6.6
224.99229	9.7
225.07701	16.2
225.99451	4.1
243.00215	5.9
247.01405	4.3
248.96042	4.0
263.04236	3.8
285.01437	32.6
285.08325	8.5
303.02618	4.3
315.02521	6.4
339.02814	4.9
345.03558	5.5
345.10461	9.5
387.13373	6.3
405.05450	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	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82590	0.9
57.03456	100.0
58.03784	2.4
59.01387	89.9
60.01719	1.3
65.97512	0.9
69.14230	1.9
69.14635	4.5
71.01383	10.0
73.02961	2.3
81.03497	1.4
85.02955	1.9
89.02453	13.2
89.98871	1.1
99.04533	79.1
101.02460	18.6
113.02458	5.9
119.03534	4.7
125.02472	28.9
125.03416	1.0
126.02829	1.0
143.03503	2.6
149.04527	1.1
161.04593	1.3
179.05576	4.0
261.13513	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64540	1.0
53.98069	1.2
57.03456	100.0
58.03784	1.9
59.01387	87.5
60.01722	1.4
71.01394	9.5
71.40704	1.7
72.99310	3.8
73.02951	4.7
81.03465	2.2
83.01406	2.4
85.02972	6.2
89.02454	2.0
99.04532	72.1
101.02452	22.7
113.02418	3.8
121.02940	2.0
123.04546	1.3
125.02475	25.5
133.02985	2.8
134.03682	1.5
135.04536	11.2
143.03450	1.6
161.02460	6.8
161.04558	3.9
172.79999	1.2
179.03506	3.7
197.04587	2.2
201.02452	1.2
201.05603	1.6
261.13467	10.0
284.55103	1.2
295.06042	1.6
348.31299	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26288	1.8
57.03451	3.9
59.01382	7.4
61.98836	100.0
63.15514	1.8
65.89059	1.9
69.30546	9.4
70.41704	1.6
71.01433	2.4
72.99320	13.4
86.50673	1.7
99.04533	5.1
101.02439	3.2
117.03459	2.8
123.04553	3.9
133.02979	12.3
134.03749	2.2
135.04521	26.7
145.02946	7.0
155.95728	1.9
161.02458	71.8
162.02786	2.0
163.04027	5.2
179.03513	8.0
181.05072	13.4
187.07651	3.1
197.04573	7.5
224.66446	2.0
275.19028	2.1
277.37759	1.8
293.10437	4.9
343.08252	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	406.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
69.79433	7.6
69.79808	2.7
82.91309	2.2
98.22575	4.4
135.04530	3.3
161.02553	3.1
174.72447	2.3
242.65778	2.3
281.11856	5.5
306.12656	2.5
311.12772	5.4
343.15625	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	406.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	14.3
59.01377	16.1
69.46190	5.6
69.46603	12.3
71.01374	6.8
74.02480	25.3
74.46243	3.0
82.03006	3.6
86.02481	12.9
86.06084	4.0
87.05625	4.0
97.04095	4.5
99.05656	29.3
101.07215	4.0
102.05621	6.1
109.04090	5.2
111.05676	4.0
112.04078	4.4
125.03580	4.4
127.43362	3.3
128.03560	85.9
129.03932	3.6
133.06964	19.0
135.04518	10.3
135.05560	4.9
141.06693	3.0
143.04631	100.0
144.04980	3.6
145.06215	5.1
146.04645	10.0
147.20746	2.9
150.03239	13.1
151.03828	5.6
153.06702	8.1
158.28297	3.6
161.02461	4.1
165.05588	8.0
166.05852	4.0
166.09865	3.8
167.04680	5.7
167.08318	6.3
167.89859	3.0
171.04247	3.0
179.04686	22.9
185.05801	3.3
195.06723	6.8
196.07039	6.1
197.05695	4.0
210.08852	22.5
237.03568	3.0
254.07849	55.5
272.08887	53.8
273.09167	3.1
277.12424	7.1
352.28549	3.6
388.15598	9.5
406.16629	60.2
407.17365	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	406.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	16.7
58.02979	15.4
59.01389	32.1
66.03492	1.5
69.43318	5.3
71.01389	5.3
72.00896	2.4
72.35678	1.4
73.02960	2.0
74.02483	29.8
81.04498	1.6
82.03006	5.0
85.02960	2.3
86.02489	14.3
86.06113	2.3
87.02770	1.8
87.05665	4.6
89.02462	6.0
97.04092	4.6
99.04572	13.2
99.05655	29.8
101.02466	6.1
101.07203	5.5
102.05607	3.2
107.27959	1.5
109.04086	4.5
109.07727	2.7
111.05679	3.2
112.04056	3.4
113.02467	2.3
113.03561	2.1
113.49877	1.6
118.40567	1.5
119.03548	2.7
119.05048	4.5
125.02446	4.8
125.03572	3.3
127.05151	5.3
128.03554	71.7
129.03902	2.8
132.79550	1.7
133.06038	2.7
133.06952	15.1
135.04520	4.5
135.05656	6.4
137.07191	2.0
141.06720	5.4
143.04639	100.0
144.05011	4.5
145.02983	3.3
145.05151	1.8
145.06233	3.0
146.04596	14.2
151.04056	2.7
153.06694	5.6
158.84125	1.9
162.00278	3.9
163.03989	2.5
166.09842	4.2
167.04654	4.3
167.08287	5.4
170.03368	3.0
171.04196	2.1
179.03195	2.4
179.04640	24.8
180.04898	1.9
181.06303	2.7
184.10947	2.2
185.05743	5.1
192.07913	2.8
197.05756	4.0
210.08870	22.3
211.09261	2.1
237.91811	1.5
254.07831	48.0
255.08112	3.6
256.08453	1.6
272.08923	58.3
273.09125	3.7
274.09525	2.4
277.12332	3.8
307.08044	2.8
308.07437	22.1
309.07870	1.9
347.16882	1.8
362.82016	1.7
388.15582	9.8
406.06216	2.5
406.11502	3.0
406.16599	50.4
406.21844	4.2
407.16595	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.4
59.01383	38.5
68.71413	1.3
70.80669	1.7
70.81027	2.5
71.01396	15.1
72.99319	3.4
73.02951	18.0
82.02999	9.9
83.01398	9.9
85.02960	4.0
87.00874	2.4
89.02458	5.3
93.03477	4.0
96.96030	2.2
101.02458	12.2
109.02971	3.2
113.02474	7.6
117.03497	1.9
119.03523	2.2
119.05025	2.6
121.02991	1.9
122.06125	1.8
123.04533	2.4
125.02464	63.4
126.02792	2.6
133.02950	5.5
134.03746	1.4
135.04539	8.1
136.04007	1.7
137.02443	8.5
143.03531	1.7
144.89627	1.4
145.02959	4.0
149.02457	5.3
150.03319	1.7
151.04013	4.3
160.07726	4.0
161.02463	18.7
161.04555	3.4
162.03027	1.4
162.04378	3.0
163.03995	2.9
164.03543	6.4
166.02740	2.1
174.05568	1.8
179.03539	6.8
188.07224	2.9
191.04683	3.0
193.05084	1.6
197.04637	2.0
199.75136	1.4
200.07077	1.7
201.04514	1.7
202.08710	3.6
204.05305	3.2
216.05385	6.4
216.07040	2.8
216.10284	2.8
217.02548	5.6
217.06125	9.3
218.06860	2.9
228.06725	3.7
229.05986	9.0
230.03297	3.7
230.07039	5.4
231.07785	13.4
232.08466	7.0
241.06190	4.0
243.04213	13.6
243.07784	3.5
244.04898	20.4
244.09862	13.8
245.05061	1.9
245.09483	6.7
248.09325	2.3
256.04907	5.8
257.05710	18.5
257.08313	1.8
257.09445	1.5
258.06436	8.6
259.07257	48.6
259.10861	8.0
269.09341	3.3
271.07251	25.7
272.07761	2.3
281.06833	2.6
285.08896	4.7
287.10413	85.1
288.08649	6.3
288.10959	5.1
291.09869	13.4
296.06815	1.7
305.06537	1.5
313.08337	100.0
314.08673	10.8
331.09390	54.4
332.09793	4.5
335.08862	2.1
345.10959	9.4
346.11548	2.0
347.17191	5.4
357.07318	2.6
365.18240	4.7
375.08310	19.1
389.09732	3.4
407.05688	3.8
407.10977	57.0
407.19180	25.2
408.11374	6.3
408.19577	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
69.53560	2.2
69.53957	1.4
75.37203	1.1
75.56145	0.7
79.35349	0.7
80.05550	0.8
119.75430	0.8
129.52589	0.8
139.04253	0.7
148.86441	0.7
180.53735	0.8
237.09265	9.1
238.09895	3.4
251.07237	1.8
253.12285	4.0
264.07898	2.5
265.08722	21.3
266.09351	7.5
267.09930	1.3
281.11859	100.0
282.12164	10.4
295.09750	4.8
298.08423	1.0
307.81866	0.8
319.06046	1.5
325.10840	31.0
326.11172	3.1
406.99121	0.8
407.11188	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	407.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93103	2.0
55.56434	2.0
57.29684	1.8
59.01379	6.9
68.99823	3.8
72.24901	2.1
72.99312	6.0
84.99319	4.7
87.00896	4.6
93.03498	4.4
112.98822	68.0
113.99134	2.6
117.03479	4.2
119.05038	93.9
120.05354	5.1
121.02933	3.4
126.35076	1.9
127.11279	3.1
129.09232	16.8
130.09547	2.0
130.99852	2.6
133.02975	4.1
135.04527	6.2
143.05031	2.3
143.10759	4.8
145.02974	18.7
147.04556	10.3
147.17990	1.9
161.02466	9.1
161.06039	3.8
161.22162	2.4
163.04019	100.0
164.04419	3.2
171.10252	7.4
175.04091	9.7
177.05615	4.4
179.03807	1.9
194.65521	2.0
203.03546	31.3
205.04999	4.2
215.03566	4.7
233.04570	3.0
240.27710	2.0
259.02478	2.5
277.03574	32.4
287.65375	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	407.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98819	2.1
69.07232	4.7
69.07658	6.6
71.01384	4.5
72.61159	2.0
73.02977	1.7
83.05032	3.2
85.02946	1.9
87.00873	8.4
87.47364	1.7
89.02464	7.8
101.02431	3.6
109.02968	1.8
112.98849	2.1
113.02534	2.2
119.05038	12.7
121.06628	5.6
123.04472	2.5
126.98796	2.0
127.04042	17.1
134.03758	5.1
149.06064	9.8
161.04584	5.8
163.04007	3.3
165.65387	1.6
167.07143	30.5
179.05548	3.8
185.02206	13.9
185.08244	2.8
193.05121	10.9
235.33643	1.7
303.03391	1.8
347.06680	2.2
347.13510	7.9
365.56921	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	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
69.91150	3.0
71.01385	22.1
72.08262	1.4
73.02953	1.5
85.02955	2.6
89.02458	32.1
95.01467	1.7
101.02474	11.6
104.36829	1.2
105.08983	1.5
108.02192	1.3
109.03009	2.1
113.02473	11.0
119.03513	12.3
121.02966	2.3
123.04502	1.6
131.03532	1.5
134.03763	3.5
135.04547	1.8
136.01671	9.2
143.03580	2.4
143.04695	1.5
149.02481	3.3
149.06113	2.7
150.03197	7.3
151.04059	13.8
161.04579	5.0
165.05595	6.3
166.02762	3.7
179.05641	15.2
181.05042	4.0
195.06630	5.7
209.04543	1.9
211.06282	2.6
240.30185	1.4
253.28946	1.4
291.58792	1.4
299.09003	2.0
359.11456	1.8
407.13608	3.0
407.19159	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01719	2.0
63.44196	0.9
69.55886	1.2
69.56281	2.6
71.01373	1.1
74.77750	0.9
161.02350	1.1
180.04311	1.1
195.06540	1.3
209.34091	1.0
225.07750	1.7
305.16226	2.2
306.16010	0.9
313.08362	1.4
416.12357	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94888	1.0
52.32452	1.2
53.61690	1.1
57.03454	100.0
58.03772	1.3
59.01385	76.7
59.94160	1.2
62.12344	1.2
69.25017	1.5
71.01391	6.6
72.99318	1.5
73.02953	3.3
81.03459	1.3
83.01383	2.7
85.02956	5.8
99.00880	1.8
99.04531	68.4
100.04872	1.3
101.02457	24.0
102.14601	1.0
113.02457	3.8
125.01524	1.4
125.02454	29.5
133.02899	1.2
135.04556	2.4
143.03531	1.7
161.02431	3.3
161.04532	2.0
189.40211	1.1
202.55646	1.3
263.14996	14.2
335.09344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26170	11.6
55.93110	13.1
61.98842	100.0
66.22118	11.2
67.05583	13.3
67.67612	14.8
69.51466	38.6
72.35315	11.6
76.18980	14.4
190.88951	13.4
258.37802	16.0
316.58340	14.4
329.17584	48.5
367.36981	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	409.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
64.82718	0.6
65.64275	0.6
66.68393	0.7
66.75180	0.7
67.81768	0.6
70.55032	1.5
71.01395	1.6
77.30347	0.6
87.00947	0.7
96.96033	1.1
104.02651	0.8
107.05018	0.8
108.02190	3.1
109.02959	2.2
117.03445	1.0
119.01371	1.1
121.02970	11.3
123.04555	0.8
132.02165	0.9
133.01457	0.8
133.02980	18.2
134.03763	30.0
135.04549	80.5
136.01660	4.9
136.04881	2.8
137.02455	4.5
147.00888	2.9
148.01668	6.6
149.02449	2.0
150.47005	0.7
157.02724	1.8
159.00642	7.1
161.02466	34.7
162.02827	2.2
163.00400	2.4
164.01147	1.8
173.02502	0.8
175.00349	2.2
177.01961	3.4
179.03519	100.0
180.03851	5.3
187.00156	2.1
187.07697	0.8
189.01707	19.8
190.02043	1.1
201.01718	54.1
202.02063	2.4
203.10921	1.1
207.03003	19.5
208.03586	2.8
247.09941	0.8
306.85156	0.7
370.45038	0.7
377.02829	1.4
409.05435	29.2
410.05722	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.07
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
59.29921	0.3
71.01400	0.6
71.40776	0.3
72.99315	23.0
73.99686	0.3
85.02988	0.5
91.05515	0.6
96.96022	1.5
101.02447	0.5
101.61134	0.3
107.05036	1.1
109.02946	0.8
115.23401	0.3
117.03449	0.6
123.04539	10.2
124.04939	0.4
126.92276	0.3
132.02188	4.3
134.03761	6.2
135.04539	100.0
136.04858	4.6
151.03996	0.7
160.01677	24.3
161.02444	3.6
175.04022	42.1
176.04350	2.2
178.02751	0.7
179.03516	28.4
180.03813	1.6
193.05090	2.4
197.04568	35.6
198.04930	1.5
223.02583	0.5
267.03036	0.6
311.02005	0.9
373.09277	10.3
374.09576	1.5
418.15488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.07
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.8
59.86499	0.4
71.01400	4.7
72.99339	0.6
78.95948	0.8
80.62753	0.4
85.01927	0.4
87.75277	0.4
89.02498	0.5
89.03965	0.5
96.96030	4.5
101.02436	0.9
107.05081	2.2
109.02985	0.8
110.75033	0.5
112.68137	0.5
117.03499	1.2
123.04613	0.9
126.34984	0.4
133.02946	2.5
134.03784	7.7
135.04550	100.0
136.04901	4.1
137.02510	0.6
150.03391	0.5
161.02472	3.6
179.03525	68.8
180.03839	3.8
219.13925	0.6
247.13374	1.0
339.04803	0.5
373.09326	53.4
374.09772	5.4
409.18567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27538	0.2
57.00914	0.2
59.01387	0.4
65.35103	0.2
69.15629	0.8
69.16034	0.4
78.48450	0.2
103.23766	0.2
105.03483	0.5
108.67461	0.2
109.02975	1.2
119.18114	0.2
123.04591	0.4
124.69723	0.2
132.02209	1.7
133.02975	34.0
134.03279	1.4
135.04544	1.1
146.03748	1.8
149.02486	1.4
150.03249	4.3
150.45485	0.2
159.04507	0.6
161.02466	100.0
162.02808	4.8
172.05354	0.4
174.03262	2.3
175.03987	1.5
175.07668	0.9
177.05469	0.2
179.03516	0.9
187.07678	0.4
190.02750	0.7
190.06328	0.3
200.04849	1.3
203.07144	4.6
205.08754	0.2
211.07657	0.6
215.07170	0.3
218.05823	0.7
229.08714	1.5
239.07054	0.3
247.09769	5.2
248.10135	0.4
249.05661	0.3
267.06616	2.5
268.07327	2.0
310.20288	0.2
312.06207	0.3
321.11496	0.5
379.69150	0.2
390.22592	0.2
394.08829	0.2
409.12933	0.6
410.13245	0.2
433.16086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32986	0.5
59.01371	0.5
70.91994	0.9
107.72309	0.6
115.92152	0.6
116.92959	0.7
132.02199	2.1
133.02975	30.9
134.03265	0.8
135.04504	0.7
142.35510	0.6
149.02454	1.6
150.03256	4.3
161.02467	100.0
162.02818	4.8
164.18161	0.5
174.03189	3.0
175.03987	0.9
175.07646	1.0
177.05602	0.6
200.04756	1.8
203.07138	6.0
205.08607	0.7
211.07663	0.8
218.05869	0.9
229.08676	2.0
247.09747	4.7
321.11493	0.7
409.12750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42301	0.1
69.34910	0.8
76.58738	0.2
77.03995	0.2
78.80813	0.1
81.55759	0.1
101.04063	0.2
105.03451	0.5
109.02953	0.5
115.01870	0.2
121.97849	0.1
123.04511	0.2
132.02188	1.9
133.02969	32.6
134.03270	1.4
135.04549	1.0
146.03746	0.5
148.55273	0.2
149.02469	0.3
149.06105	0.6
150.03255	0.6
158.03796	0.4
159.04543	0.4
161.02461	100.0
162.02803	5.3
163.04056	0.3
172.05240	0.4
174.03223	0.7
175.03984	1.0
176.04820	0.2
179.03520	0.2
187.04114	0.4
188.04820	0.2
190.02707	1.2
191.03319	0.2
191.07182	0.2
198.35594	0.2
200.04874	0.4
201.09262	1.8
203.07156	0.4
203.10831	0.4
205.08836	0.2
215.07079	0.3
216.07968	0.5
217.08710	0.5
218.09505	2.1
219.10252	1.2
220.59868	0.2
229.08696	1.8
247.09758	5.8
248.10120	0.5
289.14050	0.2
295.06168	0.1
347.12955	0.4
365.13797	0.8
366.14279	0.3
409.12842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02678	0.2
57.47107	0.2
69.28413	1.0
77.03997	0.3
84.39742	0.2
89.03972	0.3
105.03451	0.5
109.02964	0.6
115.01957	0.2
132.02205	1.9
133.02971	31.8
134.03287	1.3
135.04526	1.2
142.30763	0.2
149.02480	2.2
149.06111	0.5
150.03241	5.2
159.04520	0.4
161.02461	100.0
162.02786	4.7
163.04012	0.2
172.05295	0.5
174.03314	1.1
175.04021	1.0
175.07707	0.6
179.03526	0.4
187.04022	0.5
187.07594	0.2
190.06305	0.3
200.04808	0.8
201.09157	1.2
203.07161	1.1
205.08699	0.6
215.07101	0.3
216.07907	0.5
217.08731	0.4
218.09456	0.4
219.10246	0.3
229.08696	2.0
247.09750	5.2
248.09996	0.4
250.81677	0.2
255.10294	0.3
257.08258	0.2
274.58768	0.2
347.12717	0.4
365.13995	0.6
409.12769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45160	1.2
57.29485	1.1
57.84365	1.2
59.01385	18.5
61.98822	2.1
69.13524	8.5
71.01392	4.7
89.02464	5.6
93.03452	2.3
99.00853	1.6
101.02463	3.1
112.15174	1.4
114.80723	1.2
121.02943	5.2
122.03800	6.8
136.01729	2.8
149.02455	37.4
149.04433	2.7
150.03241	59.0
151.03812	4.0
161.02472	1.7
164.04802	10.0
165.05582	100.0
166.05943	3.7
180.04324	2.5
195.06650	18.0
196.06891	2.1
236.16269	1.3
245.22957	1.4
285.07712	4.4
286.08551	6.8
301.10846	14.4
349.15012	3.5
361.12943	41.0
362.13272	4.7
409.15292	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.8
59.01387	9.9
62.73406	0.6
71.01385	1.9
71.43938	0.7
85.02980	0.7
89.02441	0.9
93.03473	3.0
99.04534	7.5
99.46963	0.6
99.85616	0.5
101.02442	2.1
121.02961	3.3
122.03766	9.6
125.02451	3.0
131.35770	0.7
133.02951	0.8
135.04500	1.5
136.01688	1.3
149.02452	13.1
150.03244	73.7
151.03609	2.7
161.04504	0.7
164.04851	3.1
165.05588	100.0
166.05920	4.8
177.01956	1.3
179.03543	0.7
180.04326	4.8
195.06647	36.7
196.07030	1.8
211.04030	1.1
213.07701	0.8
216.60350	0.7
216.95016	0.6
224.04321	0.6
239.03621	1.0
240.04224	0.6
255.03041	0.7
264.04303	0.7
265.05109	1.3
265.13025	1.1
266.05728	0.8
267.03189	1.4
282.05362	0.9
283.02637	0.8
286.08484	1.6
289.01138	0.7
289.04724	0.8
301.10876	2.1
305.04333	1.5
315.02802	1.0
333.03815	0.9
335.01761	0.8
349.15051	0.7
361.13113	4.4
377.03000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81944	0.7
59.01384	4.9
66.99748	0.7
71.01383	3.4
79.05533	0.9
85.02966	1.5
89.02443	1.0
93.03483	1.2
96.96014	1.0
101.02470	0.9
119.05043	100.0
120.05373	3.1
129.07193	1.3
133.02972	2.7
135.04543	3.4
139.71057	0.8
143.08730	0.9
157.00842	0.7
159.11826	5.2
161.02481	6.6
163.04031	72.2
164.04362	3.3
177.51720	0.9
179.03493	2.5
184.21649	0.9
203.10855	8.2
204.11111	0.9
247.09801	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	409.1661
Annotation	Caloxanthone B
Peak:m/z	Relative Intensity
53.35983	1.7
54.93961	2.1
61.53759	1.6
61.98835	2.1
67.03293	1.7
71.13297	2.5
82.26539	1.8
85.37215	1.9
94.04353	2.2
99.44604	1.8
101.70969	1.9
111.57468	2.1
116.92852	4.7
121.02909	2.1
132.02245	2.5
132.03209	1.9
133.02966	30.5
134.03758	24.6
135.04559	25.9
137.02469	10.7
139.04010	2.6
149.02385	3.0
150.03195	4.9
161.02469	100.0
162.02869	5.4
168.91617	1.9
173.06084	4.5
178.02760	6.5
179.03578	14.2
184.86075	1.9
191.10750	2.4
217.05087	2.7
219.13898	9.8
232.11041	3.4
247.13356	9.8
269.07260	4.0
365.17883	2.2
407.33127	4.1
409.11218	3.9
409.16611	80.9
410.16678	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	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31847	0.7
59.01385	100.0
60.01715	1.1
61.41357	0.7
69.36430	3.2
71.01399	1.7
72.97168	0.6
73.02948	0.7
85.02968	0.7
101.02422	1.3
109.32895	0.7
135.04507	4.7
142.13434	0.7
161.04555	0.9
179.03606	0.8
229.01500	1.4
246.18253	0.7
307.17761	2.3
349.18753	1.0
414.23483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37607	1.6
59.01384	100.0
60.01733	2.3
61.98819	2.7
69.29028	10.0
71.01392	16.7
72.96744	1.6
73.02946	5.4
73.06993	1.5
73.12346	1.8
85.02966	7.5
89.02439	6.0
96.96009	5.6
101.02464	11.7
113.02448	6.9
119.05031	3.8
134.03728	2.0
135.04506	1.7
135.36839	1.6
149.02463	3.9
150.03242	7.8
161.04593	11.5
163.03935	2.0
165.05559	11.8
193.05106	3.1
195.06596	2.3
247.84695	1.7
301.10699	1.8
349.18683	48.8
350.18918	3.8
361.12866	5.4
393.17923	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.51643	2.1
69.45831	4.2
69.46184	9.3
71.01393	29.6
73.02949	7.7
83.01414	3.0
85.02961	9.9
89.02451	27.7
96.83611	2.1
101.02470	21.9
106.13897	2.0
113.02443	11.6
119.03485	12.2
134.03746	2.1
135.04590	3.3
145.02946	2.4
161.02501	4.3
161.04591	14.5
163.00455	3.5
166.17877	2.0
177.01976	3.6
179.05624	4.1
187.13405	6.3
204.50595	2.5
224.20224	3.0
250.63484	2.3
259.62109	2.3
336.21313	2.4
349.18695	35.5
360.03140	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	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03438	2.0
59.01385	100.0
60.01694	1.2
62.62532	0.9
64.81537	1.1
69.37258	3.5
71.01392	26.6
72.99289	1.5
73.02937	4.6
76.02145	0.8
82.99409	0.8
83.01378	1.9
85.02970	7.0
85.76382	1.0
89.02455	28.6
95.01412	1.6
97.06618	1.3
98.16982	0.9
98.21951	2.3
99.00853	1.4
101.02459	21.4
106.42259	0.9
108.99868	1.2
113.02466	14.3
119.03501	12.3
119.05029	1.1
131.03528	2.1
135.04521	2.5
143.03496	3.1
149.04587	1.2
159.03055	1.3
161.02435	1.9
161.04573	11.2
163.00385	4.0
163.03806	6.5
177.01909	5.7
179.05649	8.8
179.22641	1.0
187.13470	4.9
207.10251	1.8
229.08557	2.5
229.14444	4.8
230.08891	1.4
247.09558	6.2
286.41663	1.0
289.10553	3.7
349.18716	32.9
350.19141	2.0
409.14941	4.8
409.20685	13.4
410.20956	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	410.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34459	25.4
56.95168	26.6
59.01369	95.3
67.08727	30.2
70.21172	25.3
71.01378	44.4
71.42906	26.7
72.94933	25.4
78.69316	23.8
85.02906	28.2
96.96038	35.5
99.00916	37.0
101.02488	32.0
108.02158	47.8
133.02951	39.6
135.04524	95.7
135.62538	27.6
143.04680	32.8
148.05348	72.9
152.01161	37.8
161.02470	62.9
163.07558	32.6
166.04533	32.3
177.03493	49.2
179.03555	33.7
211.32397	32.5
219.69211	32.1
411.13214	32.2
411.20020	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	410.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.50604	1.1
86.06983	1.0
91.65488	1.2
96.96027	5.0
106.33009	1.3
135.04524	1.3
158.46313	1.2
213.09213	2.1
263.22406	1.2
269.15634	5.8
299.16608	2.1
347.18704	19.0
348.19116	3.8
421.09143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	96.3
76.09186	12.8
82.00430	10.8
90.06874	11.6
133.02934	36.2
161.02489	100.0
162.02809	52.4
216.09219	12.4
400.11096	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	410.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42360	4.9
61.98833	100.0
90.79984	4.7
100.99186	4.0
114.87256	3.8
144.11771	4.6
158.96884	3.7
164.61035	4.5
175.51448	4.5
245.23441	4.3
360.92242	4.3
361.66983	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	411.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55984	0.3
79.95757	2.1
94.98095	0.6
96.96024	100.0
97.95956	0.4
123.04529	0.5
133.02936	1.2
151.04094	0.4
161.02461	6.3
162.02834	0.3
179.03850	0.3
188.98779	0.5
206.99806	1.0
216.98186	0.6
230.96184	0.5
231.96883	0.6
231.99622	0.4
242.95840	0.4
249.00848	2.3
249.11569	0.5
258.99200	1.5
268.97986	0.3
293.51068	0.4
308.00049	0.5
309.40195	0.3
313.07202	1.1
351.01852	1.2
369.02966	0.6
383.00977	0.4
411.03986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.039
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27472	0.6
76.20425	0.7
79.95734	1.3
108.02180	24.7
109.02982	8.6
119.53070	0.8
121.02990	4.9
123.04536	14.1
124.01661	1.5
126.46566	0.6
135.04541	8.2
136.01662	2.1
152.01166	57.5
153.01524	2.0
162.03256	1.5
163.04024	75.2
164.04341	3.4
166.02777	1.2
167.03508	100.0
168.03853	5.4
177.05583	4.6
221.04619	4.7
244.00406	2.0
287.09225	2.5
331.08252	84.5
332.08609	9.2
405.95947	0.7
406.90771	0.7
411.03931	45.8
412.04251	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	411.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	5.0
59.01630	0.7
61.45991	0.8
68.27021	0.7
68.96125	0.8
70.58227	1.1
71.01381	2.2
79.95760	2.5
96.96021	100.0
101.02477	1.2
115.00376	2.3
132.02203	1.9
133.02983	2.9
135.04524	2.9
149.02460	3.0
160.01694	1.3
161.02460	8.7
162.02747	1.1
175.02547	5.1
175.03758	0.9
183.88914	0.8
188.98759	1.9
192.99597	1.5
203.97305	1.3
206.37708	0.8
209.32927	1.0
216.98280	1.4
231.97029	1.3
249.14917	3.2
258.99255	4.4
260.95004	5.6
313.07147	1.1
351.01837	3.5
411.03946	2.4
411.16330	2.1
411.21237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16003	9.6
59.01382	28.3
68.95786	8.4
69.20301	14.7
69.20707	43.3
71.01382	13.0
117.00443	18.6
135.73822	8.2
143.96495	10.3
149.02466	31.6
150.03241	30.5
164.04845	17.3
165.05571	100.0
170.97881	33.7
187.01015	14.5
195.06628	33.4
202.42545	10.1
209.10558	10.0
226.19168	9.0
274.99249	8.8
312.98816	12.4
327.10825	30.4
328.96759	15.4
358.01447	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	411.1273
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.83423	0.9
55.10460	1.2
59.01384	1.3
61.34813	1.0
69.91942	2.9
70.39355	0.9
71.01368	1.0
72.00915	21.6
74.02480	28.6
78.95918	1.7
86.02473	1.1
99.05661	2.2
100.00416	27.8
100.04063	1.5
118.05118	100.0
119.05453	2.3
128.03552	7.2
141.06665	1.0
143.04640	7.3
144.03041	20.7
146.04576	1.0
148.88635	0.9
153.06770	1.2
160.00723	2.3
160.02647	3.5
167.04605	1.4
179.04626	2.2
191.44551	0.9
193.76732	0.9
210.08842	1.7
254.07939	1.7
272.08817	4.4
288.06424	1.6
306.07690	15.8
411.13809	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
58.00593	0.5
59.01387	100.0
60.01712	1.4
62.07609	0.4
69.03445	0.4
69.09832	3.0
71.01391	17.5
72.99319	0.6
73.02955	22.1
83.01399	4.4
85.02963	4.6
87.00900	0.9
89.02456	11.9
95.01399	1.3
96.96032	0.7
98.22655	0.7
101.02453	18.3
113.02470	9.2
119.03513	5.0
125.02491	0.6
131.03555	1.3
135.04585	0.5
143.03552	1.3
149.04614	0.9
155.03621	0.4
161.04558	3.2
179.05688	1.6
205.12338	2.8
219.13892	0.7
222.88255	0.4
237.64413	0.4
248.00310	0.7
329.17770	0.5
351.18259	1.0
369.19153	4.9
370.19684	1.1
411.15320	1.1
411.20486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93227	0.8
55.35644	0.8
57.03455	33.5
57.38271	0.9
59.01386	65.9
60.01725	0.8
69.03448	2.6
71.01395	5.2
72.99312	2.6
73.02959	1.9
101.02476	1.5
109.02937	1.0
109.06625	5.5
123.04460	1.3
123.08190	1.3
135.04524	2.4
137.09755	9.7
139.07718	2.0
149.09747	2.2
165.12804	1.8
179.03525	1.7
192.11581	16.8
195.60095	0.9
205.12303	2.3
207.13927	100.0
208.14261	7.0
223.26732	0.8
229.99243	1.8
321.03870	2.4
329.46405	1.0
352.27072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26610	0.6
59.01385	100.0
60.01730	1.2
60.69449	0.6
69.27950	1.6
69.28357	2.1
71.01390	9.0
73.02956	14.8
83.01402	2.0
85.02963	3.0
87.29768	0.6
89.02443	3.2
101.02454	8.5
113.02467	6.4
119.03508	0.8
121.06660	0.7
131.03554	0.9
135.04581	1.2
137.09743	4.0
143.03540	0.6
155.03482	0.7
161.04636	2.1
165.01982	1.8
167.10858	0.6
178.71388	0.6
189.12885	0.9
204.65942	0.6
321.96451	0.7
417.72586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2031
Annotation	Tinocordifolioside
Peak:m/z	Relative Intensity
55.01882	1.7
57.03475	1.0
59.01387	30.0
63.96259	0.7
69.09996	1.7
69.10413	2.9
70.60548	0.7
71.01385	16.9
72.99319	2.3
73.02972	4.6
73.77206	0.7
75.27850	0.8
83.01409	4.0
83.05025	0.9
84.53441	0.7
85.02967	7.2
87.00906	1.5
89.02452	7.1
95.01375	1.5
96.96022	17.6
97.06591	1.3
99.00865	1.1
99.92654	0.8
101.02458	8.7
109.02996	1.3
113.02466	4.5
115.00338	0.9
119.03506	2.1
119.08652	1.2
119.63455	0.7
131.07187	0.7
132.02165	0.8
133.02959	3.8
135.04543	4.6
142.91704	1.0
149.02448	2.3
160.01741	1.2
161.02449	13.3
165.00122	1.3
179.03514	1.9
186.35123	0.8
187.14990	2.0
192.99690	2.2
231.13939	11.5
232.14201	1.7
243.12120	0.7
249.14977	4.6
260.94989	1.8
287.07434	1.2
395.11316	0.7
411.20264	100.0
412.20569	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	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35463	6.4
59.01380	100.0
61.98828	13.0
70.47501	6.1
80.00890	6.3
92.92802	6.4
96.96044	6.8
99.92556	6.3
134.09428	5.8
144.79724	5.8
201.09422	6.4
296.08914	6.6
305.53580	5.7
353.20520	7.9
411.09256	6.9
412.49063	6.0
431.13171	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	412.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34091	1.3
58.02977	9.2
68.43056	1.7
69.98432	3.8
72.00917	2.8
74.02483	18.4
74.98956	1.7
86.02487	6.7
87.05648	5.1
99.05659	14.8
100.00395	2.2
101.07194	2.6
101.96328	1.8
102.57291	1.9
112.04089	1.9
118.05122	9.6
123.05611	2.3
127.05169	2.6
128.03558	43.3
135.05640	4.1
141.06714	3.5
143.04642	56.8
146.04590	4.6
153.06706	3.1
156.23607	1.8
160.00758	17.5
163.03995	2.6
166.09972	2.2
167.04636	4.8
167.08321	2.5
172.85977	1.6
177.03448	6.2
179.04684	11.1
185.05640	1.9
197.05655	2.0
210.08884	10.8
254.07864	16.3
272.08908	21.4
288.06818	8.4
289.06729	2.0
306.07675	100.0
307.07898	5.1
412.12064	3.9
413.10233	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	412.9576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	57.8
60.01736	0.7
69.50461	2.9
71.01373	1.3
72.99329	0.7
73.02944	1.0
83.01472	0.6
89.02452	1.2
90.10519	0.6
101.02456	1.3
108.02201	1.3
109.02951	0.8
113.12971	0.6
116.97252	0.9
118.96921	0.7
119.05042	1.4
123.04491	0.7
125.00952	1.0
132.98213	1.7
135.04544	0.8
141.00484	1.2
152.01129	2.2
157.03560	1.5
163.04036	1.7
167.02000	1.2
168.99927	0.8
172.97673	1.2
174.99261	23.5
175.99623	0.7
186.99243	0.8
188.86971	0.7
211.00932	1.4
214.98772	4.4
217.00319	100.0
218.00618	3.0
226.98773	1.1
254.99988	2.4
266.96756	1.2
272.96021	1.3
298.99371	0.7
308.97867	1.9
314.97061	1.4
315.07169	1.6
315.10748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.9577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06533	1.0
51.37498	1.0
59.01385	80.8
70.69591	1.8
71.01382	1.8
72.99332	1.6
82.56464	1.0
85.04095	1.6
98.99401	1.5
99.00881	1.7
101.02441	1.0
108.02179	2.6
112.56737	0.9
117.00448	3.8
123.04611	1.0
123.31827	0.9
125.00977	3.4
126.98895	2.3
128.07184	1.3
129.04185	8.4
130.08755	15.1
132.98232	1.6
133.03078	1.0
141.00473	3.9
143.02005	2.0
152.01190	1.0
156.98360	1.1
157.03566	3.6
159.01550	1.7
161.02415	1.0
164.98630	1.0
167.02022	3.6
168.99858	3.2
174.99258	27.1
201.02586	17.3
202.02840	1.3
202.98837	1.2
208.97807	1.1
211.00977	3.8
217.00319	100.0
218.00673	3.4
223.99959	1.1
230.08904	1.6
242.24844	1.1
250.98695	1.9
251.02385	1.5
255.00024	3.1
256.98331	2.1
257.98285	1.0
266.96729	2.9
271.05469	5.5
272.09930	16.5
272.96002	1.0
274.99414	1.4
298.99600	1.5
301.00998	3.7
308.97754	8.8
315.07214	2.3
324.97327	1.3
325.00830	1.3
353.01917	1.4
394.09805	1.6
395.10092	2.3
414.11258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.7
57.03464	2.0
58.00598	0.7
59.01385	42.8
69.03475	1.3
71.01388	33.8
72.99337	1.9
73.02955	6.8
75.00886	7.1
75.58455	0.5
76.04722	0.5
83.01403	2.8
83.05057	1.7
85.02959	13.2
87.00887	2.6
87.04525	1.1
89.02454	67.5
90.02785	1.3
95.01409	1.5
96.80975	0.6
97.02961	0.9
98.22694	1.5
99.00925	1.7
101.02451	23.0
108.02201	2.0
109.02975	1.8
113.02465	13.6
117.03490	5.9
119.03520	9.9
119.05038	2.5
121.02974	0.7
126.23235	0.7
126.90525	0.7
131.03503	2.2
132.02176	1.0
133.02971	28.7
133.05066	5.0
134.03818	3.3
135.04543	14.2
135.08121	1.2
136.04843	0.8
143.03532	1.5
145.02965	23.8
149.04572	0.9
149.06068	1.2
152.01152	3.4
153.01933	0.9
159.03046	0.8
160.01697	2.8
161.02463	100.0
161.04376	5.3
162.02765	5.0
163.04031	3.9
175.04019	2.8
177.05586	1.7
179.03506	7.5
179.05658	1.4
193.04994	0.9
221.04532	1.4
237.06186	7.2
242.11115	0.6
251.07755	70.5
252.07993	3.9
269.17599	3.6
281.06616	2.3
315.07126	2.6
341.08594	1.8
395.09546	1.5
413.10672	59.5
413.21344	3.7
414.11029	7.9
414.15427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03449	1.2
59.01381	18.3
69.80038	1.7
71.01389	16.7
72.99305	2.5
73.02943	5.9
75.00880	15.3
76.73351	0.7
78.15330	0.8
83.01389	2.3
85.02958	7.0
87.00885	33.2
89.02454	22.9
93.03437	1.5
99.00886	2.5
101.02453	9.9
105.01946	23.2
108.02198	1.1
113.02471	6.4
114.15125	0.8
117.03469	6.5
119.03505	3.0
119.05030	23.9
120.05352	1.5
121.02985	1.0
123.04519	0.9
132.02155	1.5
133.02969	11.7
133.06601	1.0
134.03699	3.5
135.04541	9.9
137.02455	1.3
145.01874	1.8
145.02968	24.6
146.03348	1.0
147.04520	0.8
149.06119	1.4
157.93896	0.8
160.01666	6.6
161.02464	35.9
161.06062	3.1
162.02821	2.2
163.04021	27.8
164.04471	1.2
167.03508	0.8
173.93016	0.8
175.04022	9.6
177.05571	1.9
179.03505	8.9
192.04411	0.9
193.05103	4.0
195.02916	0.9
197.04550	1.6
205.05104	1.1
209.08182	1.5
215.03485	0.9
237.06172	9.5
249.06126	3.1
251.05853	1.3
251.07747	25.4
251.16492	1.4
252.08076	1.7
259.70847	0.8
265.07214	1.8
267.07236	100.0
268.07565	5.5
269.17505	1.1
307.08124	1.5
355.10275	3.2
395.09604	1.0
413.10864	43.5
414.11050	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	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10851	1.0
59.01386	1.3
61.98839	1.9
62.32457	1.0
68.79700	1.1
69.71068	1.4
69.71395	2.6
71.01402	1.6
72.25240	0.9
78.95915	2.9
81.05065	0.9
83.68887	0.9
87.00883	8.8
93.03448	1.4
96.96002	2.5
96.96967	2.4
105.01940	14.1
119.05038	95.3
120.05336	3.6
123.04523	3.4
133.02924	1.0
135.04556	2.0
145.02968	7.5
153.05605	2.5
153.19775	1.2
161.02522	1.9
163.04024	100.0
164.04337	6.6
189.05537	1.7
207.06715	1.6
209.01411	4.9
221.01253	1.9
224.00101	1.6
251.02386	13.1
251.05606	7.9
283.01346	1.2
325.09406	5.9
353.01340	1.6
353.05594	2.3
382.90396	1.0
413.11319	23.0
414.11124	1.9
421.42050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01381	14.7
69.09040	3.7
69.09440	1.6
71.01395	13.6
72.99313	1.8
73.02961	2.8
74.02499	1.1
75.00880	78.3
83.01385	1.3
85.02953	4.0
87.00850	1.1
89.02451	7.1
89.04002	0.8
92.24313	0.8
97.02950	2.2
99.00906	0.9
101.02452	9.6
101.77421	0.8
113.02453	3.3
115.04015	15.0
117.01939	1.1
117.03479	21.0
118.03810	1.0
119.03564	1.5
119.05040	6.2
132.02167	6.2
133.02966	8.1
134.03766	28.7
135.04608	5.2
143.04605	1.4
145.02966	73.7
146.03325	2.2
147.04509	1.2
149.06078	2.5
160.01672	29.5
161.02473	27.1
161.04532	1.6
162.02829	1.2
163.04031	9.4
175.04019	32.0
176.04477	2.7
179.03493	2.8
188.87943	1.0
193.05101	13.1
207.06613	1.0
215.09315	1.1
219.05157	1.9
235.06082	1.1
237.06175	100.0
238.06430	2.8
262.18362	0.8
295.07965	1.0
337.09589	1.1
381.08072	1.3
413.10742	30.0
413.14706	27.9
414.10828	1.7
414.15460	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	413.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16956	0.4
53.57659	0.4
58.41721	0.5
59.01387	2.6
68.41951	0.5
69.49916	1.0
69.50306	1.3
69.68272	0.5
71.01389	1.6
73.02991	0.6
84.23021	0.4
85.02977	0.5
87.00883	1.1
89.02465	0.7
93.03446	0.5
96.96043	1.0
101.02426	0.6
105.01949	3.7
117.03479	0.7
119.05043	94.9
119.11744	0.5
120.05355	4.1
127.82199	0.5
128.03584	0.7
133.02994	3.0
134.03737	0.8
135.04558	6.1
143.04692	0.7
145.01840	0.5
145.02974	0.9
149.06105	1.0
161.02464	10.0
163.04031	100.0
164.04369	4.9
177.05585	2.1
179.03508	7.3
180.03952	0.5
182.58141	0.4
193.05122	0.6
204.53732	0.5
221.04674	2.5
247.08099	0.6
251.05562	5.5
251.07770	0.6
267.07278	1.8
281.06717	5.3
282.07010	0.5
306.07602	0.7
307.07962	0.6
325.09302	7.5
341.08679	0.9
413.05560	1.0
413.10938	16.8
414.11292	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06319	0.3
55.01878	0.3
57.03429	0.4
58.42703	0.2
59.01385	5.9
71.01385	4.3
71.41189	0.3
72.99312	0.4
73.02944	2.2
75.00880	4.0
78.97273	0.2
81.56721	0.3
82.66579	0.3
83.01382	0.7
85.02966	2.4
87.00854	0.3
89.02019	0.3
89.02465	3.4
89.04000	0.3
95.01389	0.6
101.02455	2.9
105.05585	0.4
108.02188	0.3
113.02478	2.2
117.03484	24.2
118.03806	1.1
119.03516	0.7
119.05035	8.9
120.05415	0.3
124.58391	0.2
132.02159	0.4
133.02959	1.3
134.03740	1.5
135.04547	1.8
145.02971	100.0
146.03313	4.6
153.01872	0.3
160.01759	1.6
161.02489	4.0
161.04587	0.6
161.06068	0.5
163.04027	13.2
164.04353	0.8
175.04047	1.9
176.74341	0.3
179.03540	1.0
193.05078	1.0
197.04666	0.4
229.65746	0.3
237.06172	4.9
237.08426	0.4
238.06401	0.4
251.07692	1.9
265.49802	0.3
269.17776	0.4
281.06708	0.5
284.98843	0.3
294.21649	0.3
307.08273	0.4
413.14709	38.5
414.15091	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	413.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03424	1.6
58.01165	0.5
59.01390	10.4
65.28902	0.7
69.31034	3.3
71.01389	15.9
71.05002	1.0
73.02962	3.0
75.00883	20.8
83.01363	1.6
83.04994	2.6
85.02961	8.7
87.00886	1.5
89.02473	5.7
95.01403	3.5
99.00874	1.2
99.04546	0.9
101.02460	6.5
101.06087	1.5
105.05589	0.7
109.02943	3.0
113.02467	12.5
117.03490	24.5
118.03793	1.3
119.05048	7.8
129.01984	0.7
132.02229	1.4
133.03001	3.5
134.03780	7.0
135.04518	2.5
137.09796	0.7
145.02980	100.0
146.03323	4.8
149.06087	1.0
153.01985	2.7
153.17720	0.6
160.01672	9.6
161.02486	7.5
161.04617	1.6
162.07785	0.6
163.04044	13.7
164.04466	0.9
175.04033	10.2
176.04529	0.7
178.49098	0.8
179.03580	2.3
193.05122	5.3
205.05107	0.7
217.01685	0.7
237.06189	29.8
238.06648	0.9
251.08090	1.0
269.17743	1.9
274.03036	0.8
315.07474	2.5
413.11252	4.3
413.15097	37.8
414.10654	0.8
414.15607	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	413.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03453	0.4
57.64936	0.3
58.54475	0.3
59.01386	5.1
61.61678	0.2
62.80317	0.3
69.18522	1.8
71.01393	3.4
72.99300	0.6
73.02937	1.3
75.00864	0.4
77.04008	0.3
83.01383	0.9
85.02953	2.1
85.61485	0.2
87.00859	0.4
89.02448	1.2
93.81572	0.3
95.01394	0.5
98.22634	0.6
99.00868	0.6
101.02457	3.5
105.03474	0.4
109.02981	0.4
113.02459	2.0
117.03479	4.2
119.05031	1.4
123.04551	0.6
132.02214	1.6
133.02974	33.2
134.03670	0.9
135.04541	7.7
136.04832	0.5
145.02974	14.6
146.03328	0.7
153.01974	0.4
161.02461	100.0
162.02774	4.6
163.04007	1.9
169.12192	0.3
175.03972	0.5
178.02745	0.4
179.03545	3.4
180.03914	0.4
251.13153	0.3
283.02689	0.3
394.26331	0.3
413.14569	64.8
414.14908	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	413.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26979	0.8
55.01881	1.6
57.03455	100.0
58.03798	2.3
59.01385	89.2
60.85436	0.8
62.15046	0.7
69.80279	2.9
71.01397	9.5
73.02958	4.0
81.03478	2.7
81.47169	0.8
83.01378	1.8
85.02969	6.9
89.02459	1.2
99.04531	81.9
100.04856	2.1
101.02454	20.7
106.94891	0.9
109.95510	0.9
113.02467	4.6
125.01543	1.7
125.02454	33.8
126.02772	0.9
133.03011	2.0
143.03554	1.7
147.35165	0.8
153.58249	0.8
161.02505	6.9
161.04533	4.0
175.04031	1.4
269.10324	12.0
270.10648	1.8
297.52417	0.9
413.14651	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	413.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96832	1.0
66.48954	1.1
80.59930	1.1
80.91690	14.6
145.44933	1.1
224.67493	1.1
227.10953	1.1
246.84494	0.9
260.94049	1.0
271.17078	17.1
272.17523	1.2
283.17078	6.2
301.18112	27.5
302.18506	2.6
313.18063	1.2
331.19156	100.0
332.19455	13.4
383.17078	4.8
413.10214	1.1
413.18250	12.5
414.11639	1.9
414.18484	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37247	0.4
59.01384	100.0
60.01733	0.8
69.73657	1.0
71.01377	2.0
78.12067	0.4
85.02934	0.6
86.01214	0.4
89.02457	1.0
96.98446	0.4
101.02472	0.8
113.02464	0.9
121.57246	0.4
143.17165	0.4
161.02434	0.5
175.64751	0.4
259.47928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01385	100.0
60.01704	1.0
69.03436	0.9
70.96156	1.2
71.01384	2.8
74.97890	0.9
85.02982	1.6
85.84672	0.9
97.02963	4.0
98.03363	1.2
101.02493	1.3
109.02972	1.2
113.02431	1.2
134.03732	2.2
135.04546	29.1
136.04865	2.3
161.02463	2.1
179.03552	7.2
180.04005	1.1
197.04593	1.2
204.55400	0.9
212.75557	0.9
215.18794	0.9
224.61459	0.8
240.69925	0.9
269.19119	1.3
305.21262	1.1
332.19211	1.0
339.05148	1.1
353.23242	7.3
377.60107	1.1
413.18201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72678	0.2
54.30333	0.3
57.03450	0.6
59.01386	100.0
59.79298	0.2
60.01729	0.9
60.54097	0.3
71.01389	3.7
72.99316	0.4
73.02966	1.0
83.01421	0.9
85.02955	2.2
89.02461	1.2
95.01408	0.4
96.63489	0.3
98.22674	0.6
101.02457	2.6
101.45616	0.2
112.86035	0.3
113.02457	1.7
119.03497	0.3
121.75564	0.2
135.04544	0.7
159.03061	0.3
161.04634	0.9
209.15575	0.8
353.19928	1.2
371.16623	0.5
371.20786	3.2
372.21106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37247	0.4
59.01384	100.0
60.01733	0.8
69.73657	1.0
71.01377	2.0
78.12067	0.4
85.02934	0.6
86.01214	0.4
89.02457	1.0
96.98446	0.4
101.02472	0.8
113.02464	0.9
121.57246	0.4
143.17165	0.4
161.02434	0.5
175.64751	0.4
259.47928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
63.19637	9.9
77.03150	10.0
77.54822	10.6
90.00851	10.6
92.92824	10.7
96.96028	30.2
115.95053	10.7
181.47272	11.0
241.18390	10.5
285.04294	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	414.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27709	0.5
59.01384	37.7
70.95051	1.0
81.22488	0.6
82.26811	0.6
106.90230	0.6
117.00454	3.5
128.07216	0.9
130.08748	100.0
131.09106	4.0
157.03572	2.1
159.01517	1.7
169.92178	0.7
170.97826	1.7
171.97977	0.7
172.01045	0.8
201.02559	24.9
202.02768	2.6
210.06189	0.7
217.00415	0.7
228.07281	3.2
230.08862	10.0
231.59601	0.7
236.31056	0.6
272.09915	98.1
273.10080	10.8
287.04129	0.8
289.00897	1.0
293.00098	0.7
325.82733	0.7
332.16907	0.6
414.11166	7.8
415.10995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	49.0
69.48139	49.2
71.01411	39.0
73.02966	21.7
76.87201	12.6
83.29396	14.2
85.02963	25.6
89.02459	27.6
93.03521	18.5
93.44267	14.0
95.26365	15.3
101.02433	20.3
108.02209	37.2
109.02961	52.2
133.02985	47.0
135.04575	65.0
136.04747	12.6
137.02477	47.3
152.01175	33.7
153.01939	17.4
161.02472	85.6
162.05641	15.4
171.07426	15.5
179.03516	28.9
239.05598	30.1
306.31174	14.9
352.61353	13.8
414.22580	19.4
415.12607	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	414.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43972	4.8
57.50473	4.9
59.01384	19.1
66.16745	5.0
69.08129	25.3
69.08534	8.7
71.01383	11.5
72.99307	10.8
81.33457	4.4
89.02422	6.0
101.02421	5.1
112.98815	6.6
119.05038	13.1
120.95093	4.7
122.85554	6.0
133.02994	25.6
134.03346	18.4
135.04564	41.6
136.04828	5.9
145.02922	5.8
151.00400	5.6
161.02451	100.0
162.02785	60.4
175.03963	7.6
179.03596	6.5
233.88467	6.0
414.14890	81.6
415.15027	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	415.042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
58.00602	1.3
59.01386	77.6
60.01717	1.1
68.40354	0.4
71.01391	47.2
72.01711	0.6
72.99319	8.8
73.02963	2.0
73.14223	0.4
83.01405	1.0
84.80108	0.4
85.02962	6.9
87.00883	3.0
89.02455	60.4
90.02813	0.8
90.98648	0.4
95.01424	2.9
97.02965	0.8
99.39223	0.4
101.02456	23.1
108.65518	0.4
108.93748	2.4
113.02467	16.9
119.02656	0.9
119.03516	18.2
120.03878	0.5
125.02483	0.9
131.03513	2.6
132.93758	0.8
132.94678	1.7
140.98753	0.4
143.03545	3.6
144.94763	0.5
149.04567	1.4
161.04585	7.0
166.99684	0.5
179.05630	26.1
180.05962	0.7
191.05615	0.7
234.96930	0.5
235.08217	0.5
341.10913	100.0
342.11215	7.6
415.04282	1.8
415.14560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48867	0.6
59.01389	8.4
67.38824	0.7
69.03436	0.6
69.41782	3.3
71.01382	7.7
72.99300	2.3
73.02954	12.1
75.00842	0.7
81.03449	2.1
83.01395	1.1
85.02958	5.8
89.02422	1.8
93.03472	0.8
95.01376	1.5
99.00907	0.8
101.02460	5.2
108.02187	73.4
109.02971	75.2
110.03286	2.2
112.98827	1.2
113.02433	3.8
117.03482	0.7
117.05589	1.2
117.84961	0.6
119.03505	0.7
119.05039	0.7
121.03004	1.5
123.00861	1.7
123.04519	3.6
125.02428	0.7
127.94201	0.7
133.02924	1.9
134.03735	1.9
135.04526	6.7
137.02431	0.9
145.02960	1.7
151.04036	3.2
152.01170	73.6
153.01964	28.3
154.02278	1.4
159.02922	0.8
161.02501	4.1
161.04552	2.8
163.04007	1.8
165.01906	1.6
167.03506	2.5
179.03493	2.6
192.92621	0.7
197.04536	1.4
205.22690	0.7
225.04185	1.3
245.05560	0.8
253.03709	0.8
269.10275	4.4
297.05869	0.8
315.07285	1.6
334.05255	0.6
371.09866	8.9
372.10178	1.0
397.11572	3.7
415.12457	100.0
416.12683	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	415.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02219	1.0
59.01385	65.6
60.01713	1.1
63.30845	0.9
65.35886	1.0
66.07376	1.0
68.99802	1.4
71.01391	14.5
71.42720	1.2
72.99323	5.1
73.02953	4.6
76.78970	0.9
80.05060	1.8
83.01398	2.1
85.02953	4.8
89.02448	7.8
89.65832	0.9
94.41747	1.0
99.00896	1.3
101.02448	9.7
104.05074	7.7
106.06644	8.0
108.04558	4.7
109.02946	2.1
112.98813	3.2
113.02467	6.1
116.05042	1.0
117.03496	1.8
119.03506	3.5
119.05009	4.4
125.02479	1.8
132.04575	33.8
133.02959	2.4
133.04915	1.4
134.03749	1.9
134.06140	60.3
135.04553	11.8
135.06461	1.8
137.02441	2.8
139.04033	2.0
143.03546	1.1
144.04547	4.8
145.02962	6.3
148.04019	6.6
151.04012	3.4
152.07175	2.6
158.06140	7.8
160.04071	9.3
161.02464	5.8
161.04599	5.3
161.05952	1.4
163.04013	5.8
165.01952	9.4
166.98741	1.2
168.00528	1.3
174.05583	1.1
175.03917	1.4
176.03545	6.0
179.03517	3.4
188.03569	6.1
189.04196	1.3
190.05064	1.6
194.08272	1.4
197.04572	2.8
205.05090	2.9
208.06204	6.1
220.06165	1.6
223.12476	2.1
225.10228	1.4
227.11952	2.1
227.96194	1.2
235.06258	2.1
235.08687	2.1
251.11905	25.4
252.12215	1.8
253.09863	3.8
253.17834	1.1
255.11414	6.0
264.08954	1.0
265.07053	1.6
267.11456	3.6
270.24231	1.1
278.06271	1.1
278.10510	1.3
279.11420	31.0
280.11716	2.5
295.10925	11.0
296.11337	1.7
307.08240	1.6
323.10422	41.2
324.10788	5.0
337.11893	4.7
339.13531	3.6
341.11401	3.9
355.13025	100.0
356.13382	10.3
373.14047	4.2
377.48013	1.1
383.12589	19.4
384.13022	2.5
415.15216	18.6
415.23520	3.8
416.15649	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	415.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46290	0.4
59.27345	0.4
63.47361	0.4
70.56723	0.6
70.57052	0.5
74.99104	6.2
77.00672	74.0
78.00992	0.7
147.08168	2.1
149.09737	1.4
161.09769	1.3
163.11249	2.3
182.19366	0.4
187.11259	2.5
203.10789	0.6
279.13901	1.3
280.14676	0.9
309.22223	2.2
321.18604	0.5
322.19415	0.7
337.21744	100.0
338.22092	13.3
415.23126	12.1
416.23581	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	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
56.06264	0.7
59.01385	100.0
60.01733	1.5
66.59536	0.7
69.86179	2.0
71.01391	15.0
72.99316	1.4
73.02953	4.7
83.01410	2.2
85.02950	6.7
87.00898	1.5
89.02465	6.3
95.01392	1.3
98.22002	1.2
99.00892	1.3
100.27296	0.7
101.02458	10.6
113.02475	6.5
119.03539	2.8
123.04606	1.2
125.02480	2.0
132.04588	1.2
133.03004	0.8
134.06149	3.5
135.04596	3.0
145.02979	1.9
149.99626	1.7
159.03062	0.8
161.02513	3.8
161.04591	4.8
165.01956	1.6
166.35773	0.7
168.00700	1.8
173.13376	1.1
179.05687	1.2
194.04640	0.9
251.11931	1.1
253.18060	1.1
279.11429	1.8
323.10483	3.3
327.18454	0.9
355.13019	3.7
373.22278	1.0
383.12680	2.0
415.12607	2.1
415.23660	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	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88511	0.8
55.01863	0.8
57.03450	1.9
59.01386	100.0
60.01722	1.1
69.03459	1.0
71.01388	21.3
71.05016	1.0
71.43007	0.8
72.99313	2.7
73.02959	8.8
77.71554	0.7
83.01400	3.5
85.02957	7.6
87.00879	2.4
87.04510	2.0
89.02453	11.7
95.01396	3.5
97.02957	2.1
99.00858	1.6
101.02454	14.9
101.06082	2.9
109.02946	1.5
113.02475	11.9
113.57652	0.9
117.03491	1.5
117.76926	0.7
119.03495	3.3
119.05036	3.6
124.01692	1.2
125.02411	4.0
133.02985	4.2
133.06609	1.2
134.03830	1.0
135.04552	9.6
136.04858	1.1
137.02460	3.1
139.04025	1.3
143.03502	1.3
145.02985	7.5
149.04695	1.0
149.99603	1.7
150.05583	4.3
151.00386	1.9
151.04001	1.7
159.02951	1.1
161.02475	14.0
161.04585	3.7
161.05952	1.6
163.04022	5.8
165.01949	16.3
166.02229	1.2
168.00641	1.9
174.66748	0.8
179.03523	4.3
194.04587	2.6
194.90730	0.8
198.49591	0.9
205.05127	3.1
222.04033	1.8
235.06235	1.2
254.06689	5.5
265.07227	3.0
304.57043	0.9
307.08246	2.2
327.18155	1.5
387.09216	2.3
415.12421	4.1
415.19559	3.1
415.23502	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	416.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36777	2.9
57.03454	3.0
57.78532	2.6
59.01388	100.0
60.01725	4.2
71.01387	39.3
72.01706	3.1
72.99308	10.9
73.02950	12.7
80.03777	3.0
85.02947	13.5
89.02456	29.7
90.02790	4.4
98.22633	7.2
99.00871	9.0
101.02443	23.3
107.05015	3.1
109.02975	4.2
109.57027	2.8
112.98806	3.7
113.02456	13.4
123.04550	6.4
125.02363	3.1
126.36991	2.8
126.85465	2.9
131.03539	4.0
133.02977	5.0
134.03760	4.5
135.04553	36.3
136.04836	5.2
139.07652	12.2
145.02988	3.2
149.04582	15.5
161.02467	14.8
161.04558	33.5
162.02892	5.2
175.04002	15.2
179.03499	11.0
190.77089	3.2
197.04572	10.8
255.05022	3.5
357.15518	11.5
417.09033	3.8
417.16608	3.6
437.64551	4.0
441.89114	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	416.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34827	2.9
59.01089	4.6
59.01384	79.9
62.58740	3.0
70.08538	3.3
71.01389	27.3
72.99307	12.8
73.02955	6.3
84.36440	2.8
85.02943	7.7
85.93106	3.1
86.03342	3.0
86.30713	3.0
87.00879	3.9
89.02457	15.3
100.41965	2.8
101.02453	17.4
108.02221	3.4
109.02969	8.5
113.02474	11.6
119.03484	8.2
121.03037	3.8
123.04541	7.1
128.22238	3.3
132.02174	3.6
133.02959	34.0
134.03705	7.3
135.04539	80.0
136.04861	9.0
145.02986	4.1
149.02432	8.6
150.03246	5.5
154.69093	3.7
159.04318	3.3
161.01111	5.0
161.02452	100.0
161.04597	8.7
162.02841	8.4
179.03531	27.8
179.05051	3.2
179.05562	2.7
194.50601	3.4
197.04584	13.2
213.15314	4.1
267.06720	9.6
273.77005	3.3
311.05630	7.1
375.20468	4.3
416.27557	3.4
417.20920	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56952	5.3
54.54128	5.6
57.03458	8.8
59.01388	100.0
71.01408	24.8
73.02956	7.8
83.01444	7.6
85.03007	6.1
89.02444	8.9
98.21887	16.1
101.02473	27.2
119.03526	7.3
135.04539	12.4
161.02431	16.4
161.04657	7.6
181.39716	5.3
188.60658	5.7
273.17215	14.3
305.31873	5.6
331.17639	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34827	2.9
59.01089	4.6
59.01384	79.9
62.58740	3.0
70.08538	3.3
71.01389	27.3
72.99307	12.8
73.02955	6.3
84.36440	2.8
85.02943	7.7
85.93106	3.1
86.03342	3.0
86.30713	3.0
87.00879	3.9
89.02457	15.3
100.41965	2.8
101.02453	17.4
108.02221	3.4
109.02969	8.5
113.02474	11.6
119.03484	8.2
121.03037	3.8
123.04541	7.1
128.22238	3.3
132.02174	3.6
133.02959	34.0
134.03705	7.3
135.04539	80.0
136.04861	9.0
145.02986	4.1
149.02432	8.6
150.03246	5.5
154.69093	3.7
159.04318	3.3
161.01111	5.0
161.02452	100.0
161.04597	8.7
162.02841	8.4
179.03531	27.8
179.05051	3.2
179.05562	2.7
194.50601	3.4
197.04584	13.2
213.15314	4.1
267.06720	9.6
273.77005	3.3
311.05630	7.1
375.20468	4.3
416.27557	3.4
417.20920	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
64.21101	5.7
71.01391	32.2
71.75752	4.8
72.99306	8.9
74.45155	4.5
85.02967	12.5
89.02460	11.9
101.02434	13.9
101.62246	5.3
109.02950	5.3
111.81985	4.8
112.98858	7.9
113.02476	9.8
117.03463	6.5
119.05057	9.4
132.04568	11.5
133.02995	11.5
133.04979	8.5
134.03746	7.0
134.06125	23.5
135.04544	38.3
135.06448	9.5
136.70584	5.1
137.02475	12.3
139.04021	8.5
145.02953	18.1
146.03326	6.6
148.52429	4.5
161.02417	18.8
161.04515	11.3
161.06038	6.8
163.04077	14.9
164.04378	6.1
165.01941	42.9
166.02307	12.3
179.03513	10.7
197.04503	8.3
205.05104	8.6
241.15268	5.4
241.51494	4.8
251.11940	10.1
252.12216	9.5
279.11630	7.1
280.11844	17.7
296.11566	6.4
323.10385	6.3
324.10669	25.6
331.17783	8.1
339.04260	5.4
341.94351	5.7
356.13324	53.5
384.12848	8.8
416.15305	9.4
416.20135	12.9
417.21011	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	416.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78160	6.8
59.01387	100.0
62.82034	6.1
69.11257	37.6
71.01402	30.8
72.99280	8.0
73.02961	32.6
75.15836	5.7
83.01403	6.9
85.02920	8.6
89.02480	15.5
101.02462	29.7
107.04994	6.3
113.02473	13.8
119.03593	6.7
119.99184	8.0
121.66674	7.0
134.02408	6.7
135.04518	49.1
151.11295	66.3
161.02496	18.1
169.12326	11.1
179.03612	12.2
195.10298	60.8
204.37373	7.1
320.61005	7.0
389.29285	6.8
414.88370	6.9
417.21085	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	417.083
Annotation	Salvianolic acid D
Peak:m/z	Relative Intensity
52.67781	0.4
55.08620	0.5
69.47230	0.4
70.72399	1.0
70.72778	0.6
72.99316	22.9
78.43640	0.4
107.05032	1.1
109.02964	0.5
119.05051	2.1
121.49431	0.6
123.04535	11.4
129.03485	2.0
131.05052	0.9
134.03763	1.0
135.04544	21.0
136.04865	0.8
147.04541	14.1
149.06094	4.7
157.02974	5.6
158.03735	6.8
173.02486	1.1
174.03239	6.8
175.04022	100.0
176.04350	4.2
179.03514	15.3
193.05122	3.0
197.04570	28.8
198.04948	1.2
219.02934	1.0
237.04092	2.1
373.09293	3.2
417.08200	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	417.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15360	0.6
58.36612	0.7
59.01398	3.8
61.98833	1.5
69.03445	2.4
69.95228	1.4
69.95609	1.6
71.01376	3.5
73.02956	4.1
73.29346	0.7
73.55080	0.8
79.01904	0.9
81.03442	1.4
81.26206	0.7
83.01392	1.7
85.02940	2.3
89.02435	1.2
95.01389	1.6
97.02940	3.2
98.21959	0.8
101.02428	1.8
103.04012	3.0
107.01379	2.7
108.02122	0.9
109.02907	1.7
112.77940	0.8
113.02464	1.1
121.02959	3.6
123.00899	8.9
123.04533	1.2
124.01677	30.9
125.02461	55.8
126.02805	1.5
135.04552	3.7
136.01625	0.9
137.02448	3.6
149.99602	31.7
151.00284	2.5
151.03935	0.9
161.04539	1.2
166.06371	11.1
167.03514	1.9
168.00656	71.3
169.01309	6.1
175.03946	1.0
181.08687	7.8
197.04512	1.3
211.02547	0.8
311.05768	0.9
313.05594	2.4
328.16293	0.7
375.16614	0.7
399.09143	2.1
412.31433	0.7
417.10376	100.0
418.10706	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	417.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
59.01387	11.2
61.98832	1.3
71.01388	15.7
72.99298	3.0
73.02927	2.6
75.00879	63.7
75.73495	1.0
83.01378	2.2
85.02937	4.0
87.00903	1.7
89.00352	2.0
89.02429	4.0
91.01891	1.1
95.01387	2.1
98.22693	2.6
99.00895	0.9
101.02472	6.7
101.38985	1.1
106.00652	1.4
107.01363	2.4
109.02948	2.5
111.00842	1.4
113.02455	3.4
119.03525	1.4
121.02970	100.0
122.03289	4.0
122.84842	1.0
123.00885	6.0
123.04594	1.3
124.01666	2.6
125.02507	1.1
127.00338	1.2
129.01926	1.7
133.05058	1.4
135.04538	17.1
136.98843	1.3
137.02455	3.6
138.03268	4.9
139.00327	2.2
139.03999	4.6
141.01949	2.6
151.06133	3.8
153.05586	21.9
161.04553	1.5
161.59746	1.0
163.04042	1.3
166.99846	3.4
168.00684	1.5
169.01387	1.4
169.72125	1.1
181.01358	2.3
182.02202	6.7
183.03011	8.0
196.03862	1.7
197.04570	43.1
198.04848	1.8
211.06178	1.6
217.63568	1.3
219.05081	5.7
237.03735	1.7
237.06160	30.9
238.06886	1.1
239.05620	6.9
295.10303	4.3
299.07675	2.4
300.08893	1.0
324.46201	1.1
341.08752	4.3
385.07938	5.3
402.07947	3.0
417.10373	78.9
418.10666	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	417.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.6
65.80050	0.2
69.10979	1.7
71.01390	0.9
72.99309	0.8
73.02940	0.2
73.19299	0.3
85.02959	0.4
89.02471	0.3
101.02447	0.7
109.02966	0.6
121.02974	100.0
122.03318	3.6
133.02992	0.3
135.04536	1.2
161.02455	0.5
175.04037	0.2
179.03519	0.5
185.02536	0.2
205.05095	0.6
226.60913	0.2
265.60614	0.3
284.36478	0.2
298.07373	0.2
321.04147	0.3
375.20462	0.5
417.11728	0.7
430.66705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	1.7
59.01385	35.4
61.98830	1.3
63.51771	0.9
68.07709	1.1
71.01395	19.4
72.99308	2.4
73.02979	4.2
74.02490	1.3
75.00897	1.4
78.91895	12.2
81.03495	1.0
83.01447	1.3
85.02955	6.0
89.02457	20.3
89.02953	1.7
92.02714	1.9
93.03467	37.0
95.01423	2.3
99.00921	2.8
101.02451	15.5
108.02214	1.4
109.03004	1.7
113.02452	6.5
119.03518	6.6
120.50539	0.9
121.03036	1.4
123.04544	1.5
124.01736	3.2
125.02503	6.3
135.04552	3.7
135.06671	4.2
136.01720	4.7
137.02458	100.0
138.02856	3.2
143.03525	1.6
146.08247	1.3
149.04620	4.2
149.99643	2.8
151.04077	3.2
161.02516	2.0
161.04655	2.9
168.00656	6.8
171.07861	1.4
179.03514	16.5
191.05630	1.6
197.04501	1.5
209.04630	1.6
239.05650	10.5
281.06769	2.6
301.70810	1.0
343.19449	1.1
373.20978	2.8
417.14285	77.9
418.14578	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	417.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54506	0.4
59.01386	9.5
61.98846	1.4
70.28895	0.5
70.29233	0.8
71.01391	8.3
72.99301	0.9
73.02959	2.0
75.00880	20.1
83.01386	1.2
85.02981	2.6
87.00929	1.0
89.00339	0.7
89.02470	3.7
97.02956	1.0
98.22081	0.6
99.00887	1.0
99.86438	0.5
101.02449	5.2
101.89182	0.4
109.02980	0.4
111.00886	0.9
113.02466	2.8
117.01961	0.8
119.03522	1.1
121.02971	100.0
122.03304	4.0
123.00905	2.7
124.01682	1.5
126.36105	0.5
133.05103	2.0
135.04536	19.1
136.04857	1.0
136.98781	0.5
137.02473	1.1
138.03258	1.6
139.00378	0.8
139.04028	1.3
151.03996	0.4
151.06148	4.9
153.05608	8.6
161.02461	0.5
161.04654	0.5
163.03993	2.3
166.99873	1.6
168.00691	1.2
175.03958	0.6
175.06146	2.2
181.01353	0.7
182.02209	2.5
183.02986	3.5
196.03763	1.0
197.04578	15.2
197.06404	0.8
198.04861	1.0
211.06038	0.6
217.07144	0.7
219.05101	2.0
223.06076	0.8
224.03195	0.6
237.06171	11.8
237.08411	0.8
239.05623	2.7
295.10345	6.0
299.07651	0.8
299.64029	0.6
341.08801	1.1
385.07748	1.6
402.08127	0.9
417.10373	30.9
418.10815	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01700	1.6
61.98833	6.4
68.37034	0.6
69.92508	2.2
71.01385	22.5
72.99321	2.8
73.02946	5.0
83.01411	1.8
85.02962	6.9
87.00882	1.6
89.02453	25.0
90.29417	0.8
93.03542	1.0
95.01411	1.9
96.36280	1.0
99.00871	1.3
101.02455	16.9
109.02960	0.8
113.02453	10.3
119.03514	10.5
123.04519	7.1
125.02436	1.2
131.03572	1.3
133.10254	1.2
135.04526	4.6
137.02510	0.9
143.03563	2.4
150.03236	1.8
159.03070	1.3
161.02527	1.5
161.04570	19.8
161.05850	1.5
162.04942	1.1
167.03574	1.5
174.03326	0.9
175.02756	0.8
175.03996	4.2
177.09186	5.2
179.03603	1.7
179.05658	5.9
181.05183	1.1
195.10349	1.5
197.04587	2.4
204.76259	0.9
251.43486	0.8
255.05312	0.9
265.05289	0.8
267.03040	1.3
293.08771	0.8
357.15579	20.7
358.16095	3.1
370.06274	0.9
379.13315	0.8
417.09387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01726	0.7
69.87530	0.3
71.01405	0.3
72.99313	0.3
87.00931	0.3
92.42120	0.3
98.21906	1.1
112.98857	0.9
119.05064	2.4
121.02982	0.7
133.02977	0.8
135.04556	0.6
161.02509	1.0
163.04012	2.7
164.04404	0.3
171.79449	0.4
175.04170	0.6
181.02147	0.4
203.03609	1.2
207.01302	0.6
254.39398	0.3
277.03650	0.8
289.07565	0.3
400.82440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35653	0.3
59.01386	100.0
60.01726	1.3
69.09496	0.7
69.09900	2.1
71.01422	0.5
72.99315	0.3
89.02438	0.6
93.60310	0.3
101.02472	0.7
120.97573	0.3
122.86507	0.3
125.75764	0.3
133.02962	0.8
135.04532	1.7
136.04924	0.3
149.02472	0.4
161.02522	1.7
177.62520	0.4
179.03574	0.8
182.76163	0.3
195.03003	0.6
224.74561	0.3
240.80873	0.3
295.06100	0.5
358.62555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44577	0.9
59.01385	100.0
65.35842	0.8
69.48566	3.5
69.48949	1.9
190.31697	0.9
381.80798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.9
57.03453	5.7
58.00606	1.0
59.01386	82.6
60.01730	0.9
65.83462	0.7
69.03474	0.9
71.01389	100.0
71.26153	0.9
71.30762	0.7
72.01730	1.6
72.99328	2.4
73.02957	27.2
73.03371	1.3
73.82760	0.6
75.00892	1.0
81.03456	1.1
83.01395	10.1
84.02174	0.7
85.02959	37.9
86.03270	0.9
87.00878	3.6
87.04533	2.0
89.02456	38.6
95.01402	7.7
97.02986	2.1
99.00885	9.9
101.02454	73.2
102.02767	0.7
110.41026	0.6
113.02464	40.6
114.02878	0.6
117.94527	0.6
119.03511	15.4
125.02470	2.4
129.01955	1.5
131.03482	1.7
135.04544	3.9
143.03520	6.3
149.04576	1.0
159.03024	8.2
161.02443	2.4
161.04581	53.1
162.04875	0.9
179.03641	0.9
179.05658	4.2
202.06302	1.2
248.50473	0.6
255.19727	2.8
365.43530	0.7
417.25034	43.5
418.25348	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	417.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.9
57.03453	5.7
58.00606	1.0
59.01386	82.6
60.01730	0.9
65.83462	0.7
69.03474	0.9
71.01389	100.0
71.26153	0.9
71.30762	0.7
72.01730	1.6
72.99328	2.4
73.02957	27.2
73.03371	1.3
73.82760	0.6
75.00892	1.0
81.03456	1.1
83.01395	10.1
84.02174	0.7
85.02959	37.9
86.03270	0.9
87.00878	3.6
87.04533	2.0
89.02456	38.6
95.01402	7.7
97.02986	2.1
99.00885	9.9
101.02454	73.2
102.02767	0.7
110.41026	0.6
113.02464	40.6
114.02878	0.6
117.94527	0.6
119.03511	15.4
125.02470	2.4
129.01955	1.5
131.03482	1.7
135.04544	3.9
143.03520	6.3
149.04576	1.0
159.03024	8.2
161.02443	2.4
161.04581	53.1
162.04875	0.9
179.03641	0.9
179.05658	4.2
202.06302	1.2
248.50473	0.6
255.19727	2.8
365.43530	0.7
417.25034	43.5
418.25348	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	417.2649
Annotation	Salvimirzacolide
Peak:m/z	Relative Intensity
80.73825	1.3
92.65597	1.8
97.06587	1.6
98.22727	2.0
135.04578	2.4
151.58563	1.4
179.03653	2.0
210.59850	1.8
212.13905	1.7
236.99426	1.7
245.19144	2.2
327.26804	2.2
337.25159	2.8
355.26450	49.9
356.26852	6.6
381.24307	3.3
399.25391	30.1
400.25641	5.3
416.94617	2.3
417.26511	100.0
418.26831	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	418.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39148	1.4
56.99804	1.5
59.01379	2.3
61.98836	100.0
74.08871	1.4
84.32020	1.4
86.27006	1.6
101.53301	1.4
102.51217	1.3
121.03029	1.8
145.06673	1.4
192.99432	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	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73457	1.7
59.01383	59.1
60.01719	3.6
61.98835	100.0
70.74659	4.2
71.01385	11.0
72.01733	2.4
72.99316	7.7
73.02949	4.9
83.76605	2.2
85.02951	3.5
89.02419	2.5
101.02461	8.0
101.49347	1.9
109.02916	3.1
113.02449	3.5
123.04531	3.3
135.04547	20.7
136.04926	3.2
139.07639	3.4
147.04428	2.3
150.03331	2.1
161.02414	5.8
161.04570	9.8
162.04926	2.9
175.04001	8.9
176.04422	4.9
179.03558	5.9
197.04585	6.5
198.04901	3.8
243.03055	2.2
269.10269	2.7
281.09329	3.3
322.89978	2.0
337.33011	2.1
358.15897	3.4
419.11215	6.5
431.76196	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	418.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.0
69.36868	17.2
71.01379	4.5
72.99297	23.7
87.00887	3.9
122.03741	3.9
134.08841	3.2
149.02449	30.6
150.03239	49.4
152.34821	3.2
156.66232	3.3
162.03264	5.9
164.04848	17.3
165.05580	100.0
166.05917	5.0
166.18452	3.6
180.04224	5.5
192.95839	3.5
195.06665	33.9
215.00551	7.8
277.02078	7.4
298.99545	4.4
327.10925	23.7
419.06366	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	419.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
57.03432	4.3
59.01390	37.0
61.98825	3.3
65.17234	1.7
69.03469	1.5
69.91921	1.2
71.01385	18.7
72.99309	2.5
73.02980	6.9
80.43957	1.3
82.03960	1.6
83.01405	8.2
85.02552	1.4
85.02968	15.8
89.02435	1.5
95.01373	3.2
97.02942	2.8
98.22666	4.8
99.00840	2.0
101.02453	11.7
108.02187	71.6
109.02974	71.4
110.03287	2.4
112.01678	3.2
113.02469	7.3
121.02969	5.8
135.04555	10.4
152.01155	10.6
153.01959	50.1
161.02386	1.3
179.03503	3.6
187.07704	2.5
199.07640	4.7
215.07159	100.0
216.07463	6.2
264.71768	1.3
267.47714	1.6
297.06049	1.8
329.10251	2.8
359.11386	96.7
360.11798	10.8
377.12439	93.3
378.12799	9.3
391.86276	1.5
419.04315	2.4
419.09714	47.5
419.22855	3.9
420.10187	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	419.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.9
61.98834	9.0
72.99310	2.3
85.02962	6.5
97.02962	19.0
115.04025	100.0
116.04372	3.0
127.07757	2.0
135.04529	5.6
147.03293	1.8
161.02443	4.9
179.03494	4.8
311.20078	2.0
332.64572	2.1
401.69965	2.2
403.88043	1.8
419.10855	9.2
439.97968	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06018	0.4
57.82726	0.4
59.01377	1.3
61.71693	0.4
70.01955	1.3
71.01373	0.8
72.99312	0.5
78.91895	4.6
85.02958	8.1
87.00880	1.6
93.03468	2.9
97.79568	0.3
98.22618	0.4
108.90203	0.6
111.04488	0.9
127.04031	1.8
127.71284	0.4
129.01979	0.5
137.02582	0.4
171.03012	0.5
173.04591	0.9
191.05635	100.0
192.05988	3.7
219.58752	0.4
225.46002	0.3
246.89876	0.7
273.04797	0.7
281.87076	0.4
322.83304	0.4
376.54593	0.4
421.07623	8.5
422.07678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21481	1.5
59.01381	3.5
61.98832	8.6
68.99828	4.5
72.99314	12.4
84.95908	1.5
84.99313	4.7
87.00892	3.3
93.03463	2.8
98.22612	4.7
112.98824	69.9
113.99103	2.0
117.03451	3.6
119.05042	100.0
120.05356	4.5
133.02963	7.1
135.04512	4.7
143.05029	1.8
143.10789	18.3
145.02980	15.5
147.04550	8.3
149.06088	2.4
157.12346	6.6
159.04628	2.0
161.02454	29.5
161.06100	4.0
163.04028	98.8
164.04347	3.5
175.03995	10.3
177.05627	4.5
179.03540	4.5
185.11818	9.9
189.05577	2.1
189.35484	1.5
197.04637	6.3
203.03531	34.2
203.05296	1.4
205.05003	5.3
206.13559	1.6
215.03526	4.6
222.25507	1.6
236.96675	1.8
259.02377	4.0
277.03577	30.4
278.03912	2.3
302.73941	1.4
334.24619	1.7
359.07675	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	421.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.0
61.98843	15.1
68.99817	3.6
69.49319	14.1
72.99310	15.6
75.65863	3.0
81.34367	3.1
86.05080	3.6
87.00879	13.9
98.22660	6.2
103.00407	10.7
112.98823	47.9
119.05040	100.0
120.05418	3.9
121.03009	5.4
123.04614	3.2
128.80489	3.2
130.99879	6.4
132.80769	3.0
133.02979	12.3
135.04553	13.2
143.10788	36.5
145.02980	18.7
147.04512	9.0
161.02451	56.3
162.77287	3.2
163.04027	74.0
164.04361	4.5
175.04005	9.2
179.03487	9.3
185.11844	3.4
197.04585	10.8
203.03535	33.3
215.03552	8.5
271.64310	2.8
275.11325	29.6
277.03604	24.5
359.07684	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	421.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87920	4.4
61.98827	23.1
69.14640	33.8
72.99310	16.0
93.27140	5.1
121.02939	14.8
123.04485	6.3
133.02977	18.8
135.04492	14.0
161.02458	100.0
168.52142	5.2
179.03566	11.4
197.04544	22.4
226.07358	5.0
359.07654	22.5
420.97601	5.3
421.15405	19.2
443.70248	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73756	4.3
56.40534	4.8
57.03443	11.6
58.11758	5.9
59.01378	18.5
63.32246	5.0
71.01405	5.6
71.27430	6.5
72.80463	5.4
72.99306	5.5
99.04543	11.8
107.04977	7.1
108.02162	6.2
109.02985	12.6
119.05044	34.2
122.02450	6.3
133.02939	6.4
135.04536	100.0
135.05505	7.7
153.01984	8.3
160.03990	5.8
161.02463	25.4
163.04089	34.9
178.18007	5.3
206.04578	39.7
265.06873	6.6
298.10883	11.6
320.46341	5.8
320.80206	5.4
342.09781	29.4
421.09760	17.6
421.16467	56.5
422.05490	85.8
422.16876	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	421.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09082	0.6
55.13104	0.6
57.03452	13.4
58.02978	2.7
59.01079	1.0
59.01382	16.3
61.56052	0.6
70.02982	11.4
71.01382	3.4
71.05023	15.5
77.74274	0.7
80.89588	0.7
82.89459	0.6
85.02946	1.5
87.05634	4.8
89.02467	1.4
99.04527	16.8
101.02429	3.0
112.47998	0.6
113.02470	0.8
115.05154	1.5
115.07619	0.7
116.07195	3.0
125.02456	3.9
129.05577	1.9
130.03342	10.2
135.04533	1.8
142.42993	0.6
143.04628	0.7
146.08247	79.4
146.94339	0.6
147.05988	4.2
147.08553	2.0
149.02429	0.6
156.47302	0.7
161.02428	0.8
161.04636	1.2
175.00359	0.9
190.02731	4.9
205.05083	9.0
206.05574	0.8
217.11945	17.1
218.12518	0.7
223.06172	1.9
255.75296	0.8
259.11414	1.0
259.15372	1.1
277.12280	100.0
278.12662	6.8
319.13409	1.3
383.33130	0.6
385.11353	3.6
421.21164	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	421.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14296	0.6
57.03455	100.0
57.65674	0.7
58.03798	1.9
59.01387	82.3
60.01710	0.8
61.98820	4.8
69.90425	1.6
69.90780	1.2
71.01402	1.5
71.15493	0.6
72.99321	4.9
73.02951	0.9
78.77562	0.7
81.03459	4.5
83.01416	1.3
85.02973	1.7
87.00856	0.7
89.53452	0.7
93.03500	2.1
99.04530	79.9
100.04870	2.2
100.69820	0.7
101.02454	14.5
103.55874	0.7
105.61508	0.6
109.02975	1.6
113.02462	1.5
123.00900	1.7
123.04572	1.9
124.01691	4.4
125.02458	26.9
133.02977	6.9
134.03737	1.0
135.04538	7.1
137.02501	2.8
139.04057	1.7
141.99629	0.7
143.03540	0.7
160.01720	0.7
161.02463	31.1
161.04636	1.5
166.09503	0.8
175.04088	1.6
179.03552	5.1
193.05164	1.3
197.04578	6.6
235.06177	0.8
235.11865	4.8
252.06393	0.8
267.03207	1.0
277.13068	1.5
281.06607	3.5
284.03198	1.0
318.71964	0.8
359.07751	7.1
421.11554	3.6
424.83612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
59.01385	92.0
60.42893	1.6
61.69499	1.6
71.01396	13.0
73.02950	4.2
81.03433	2.7
82.07907	1.9
82.95424	7.3
85.02946	2.6
89.02452	9.1
90.36320	1.8
99.04530	92.5
100.04858	4.3
101.02449	22.7
113.02457	8.9
113.55215	1.8
116.92873	8.8
119.03527	4.3
125.02465	37.3
126.02771	2.2
126.75492	1.6
135.04491	1.5
143.03481	4.0
149.04591	2.9
161.04568	5.9
173.85538	1.9
174.07285	1.8
176.04565	1.7
179.05560	3.1
185.74814	1.9
187.12914	1.7
223.06122	2.1
224.49252	1.8
228.94008	1.8
310.26913	2.1
421.17496	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	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03454	1.1
58.00594	0.8
59.01384	100.0
60.01718	1.1
69.03461	0.7
69.69188	1.2
69.69579	0.8
71.01389	36.2
72.99316	1.5
73.02953	17.0
77.35369	0.4
77.71481	0.4
83.01401	4.8
85.02959	9.2
87.00867	2.4
89.02453	26.9
89.93894	0.5
90.00710	0.4
90.02806	0.4
95.01411	1.3
97.02966	0.7
99.00914	1.8
101.02455	23.9
109.03001	1.0
113.02463	12.1
119.03511	9.5
125.02491	2.0
131.03513	12.1
131.04468	0.7
135.04555	1.7
136.01701	0.8
137.02522	0.7
138.03236	0.6
139.00403	1.2
139.04034	0.6
143.03526	2.8
149.04553	8.9
149.05661	0.6
153.01918	0.6
155.03555	0.7
161.02493	0.7
161.04578	5.7
163.04045	0.6
164.04849	0.7
166.02792	0.9
179.05670	7.1
179.07161	1.3
181.05144	0.5
191.03926	0.5
191.05609	14.5
192.15030	0.5
197.04605	0.7
203.05667	1.3
211.06189	1.6
221.06688	1.0
233.06628	4.4
247.11891	3.3
289.13303	0.8
343.11932	0.8
373.12817	2.3
374.76672	0.5
379.16110	12.3
380.16638	1.4
421.17447	3.0
422.17725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	92.3
58.03805	1.5
59.01385	100.0
59.45775	1.5
71.01382	11.5
73.02955	3.6
81.03452	2.1
85.02960	6.1
85.06603	1.8
89.02479	1.7
99.04524	84.8
99.92635	1.6
100.04873	2.6
100.93404	1.6
101.02460	16.5
113.02459	5.0
115.07653	9.7
116.92871	11.5
125.02457	37.7
126.02765	1.9
133.03079	1.8
135.04497	2.8
143.03514	2.0
145.02925	2.0
146.08240	3.1
161.04593	3.6
166.17377	1.9
171.56331	1.6
176.17146	1.7
179.03391	1.9
217.11830	2.2
259.15549	2.1
260.09158	2.6
277.12686	10.7
314.13028	1.8
332.76093	1.7
393.40314	1.8
421.04129	2.4
421.21066	4.4
422.14130	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	421.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03456	0.8
57.64722	0.8
59.01384	100.0
60.01715	1.2
71.01389	31.2
71.42770	1.4
72.99313	1.8
73.02959	15.9
83.01414	5.4
85.02955	7.4
87.00883	2.8
89.02457	25.6
95.01392	1.0
97.02978	1.1
99.00891	2.5
101.02453	21.4
101.74387	0.8
109.02951	1.3
113.02464	14.1
119.03514	7.1
125.02482	1.0
131.03513	8.3
135.04520	3.8
138.03207	1.3
139.00372	3.5
143.03488	2.8
148.94696	0.9
149.04555	6.2
153.01964	1.3
155.03529	0.9
161.02455	1.1
161.04590	5.8
163.04001	1.7
166.21321	0.9
167.01410	1.1
179.05637	4.4
191.05635	5.9
203.05666	1.1
214.60463	1.0
221.06725	2.0
223.51294	1.0
233.06561	2.7
247.11884	4.1
279.63873	1.2
289.13007	1.5
343.08182	1.3
358.03860	0.9
358.10568	1.7
367.91489	1.2
373.12967	5.9
379.16132	12.6
380.16644	1.7
421.16241	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	421.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36206	1.0
55.01890	1.4
57.03456	100.0
59.01386	83.5
61.98828	4.1
65.11658	1.1
65.39456	1.0
69.14398	6.9
71.01397	8.6
72.07454	1.0
72.99314	4.8
73.02953	5.0
78.91895	1.8
80.99271	1.0
81.03493	1.5
83.01393	1.5
84.63698	1.2
85.02968	5.8
89.02464	1.5
99.00883	1.5
99.04530	82.0
100.04897	1.4
101.02454	26.0
109.02948	1.1
113.02464	5.0
125.02464	29.8
133.02968	6.6
134.03712	1.3
135.04527	7.4
135.91270	1.0
140.33263	0.9
143.03517	2.7
149.99608	1.8
160.97734	1.0
161.02457	30.6
161.04547	2.4
162.02820	1.0
179.03471	5.0
197.04591	4.3
241.18294	1.3
258.96231	1.9
259.19135	1.4
262.46988	1.0
277.16583	15.6
278.17041	1.8
313.05630	4.0
359.07727	4.2
378.97916	1.0
403.75534	1.1
421.24594	6.1
436.57013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24126	2.1
61.98848	3.7
69.41936	8.3
69.42422	3.3
69.69841	2.3
93.89043	2.2
104.50215	2.2
125.30065	2.2
133.03014	2.8
135.04578	2.4
161.02472	11.2
163.11301	100.0
164.11594	3.1
227.10646	2.3
339.23325	62.5
340.23657	8.0
359.07904	2.6
421.22418	2.8
422.28876	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	421.26
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03455	2.2
59.01381	5.2
61.98835	5.4
65.03960	0.8
65.23430	0.7
65.33885	0.6
67.23017	0.6
69.03462	1.5
69.25137	3.8
71.05008	0.9
72.99308	3.2
79.53606	0.6
81.03487	1.3
81.07153	0.6
83.05047	6.9
85.06586	2.8
95.05043	1.5
97.06593	3.5
105.07153	1.0
107.08643	0.9
107.51920	0.6
109.06615	1.7
111.08161	3.4
115.36320	0.7
115.92078	1.0
116.92879	1.0
119.05004	1.3
121.06598	0.7
123.04547	1.3
123.08136	1.6
125.09731	10.3
133.02994	3.7
135.04526	3.7
137.09692	1.6
151.11267	1.3
161.01114	1.1
161.02464	20.5
163.11346	1.1
171.10292	22.2
172.10707	1.3
179.03532	3.6
185.11804	0.9
187.15007	1.5
189.16461	1.6
197.04587	5.1
201.14981	1.0
205.16034	4.6
209.11845	2.5
211.13406	5.9
214.15500	0.8
215.14436	2.4
219.10303	0.9
221.15530	2.3
231.13940	3.9
233.15482	32.3
234.15871	2.3
237.14984	1.0
242.20189	0.7
247.13438	0.6
249.14977	14.8
250.15164	1.0
251.16554	3.2
252.13805	1.3
254.16611	0.8
257.17490	1.2
272.92596	0.6
283.19046	0.9
315.26938	0.7
331.26489	2.0
341.24878	3.3
359.07849	5.1
359.26025	1.5
367.22757	2.1
375.25394	1.4
377.27039	3.3
385.23959	7.1
393.26474	2.2
403.24896	62.7
404.25220	8.7
406.63330	0.7
421.25983	100.0
422.26355	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	422.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11198	1.0
59.01395	1.7
60.61242	1.1
61.98840	18.9
72.98911	1.2
72.99316	17.8
80.27036	1.0
85.14948	1.1
87.20216	1.0
123.04522	7.4
133.02974	20.4
134.03400	1.6
135.04533	21.4
138.79715	1.0
145.02957	1.3
152.26035	1.1
161.02464	100.0
162.02765	7.0
165.94536	1.0
177.18495	1.1
179.03523	15.9
197.04573	23.0
198.04900	2.6
359.07700	21.7
360.08014	3.4
370.66418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40081	6.0
61.98833	100.0
68.64516	6.8
70.90029	11.8
72.99326	11.7
91.18127	5.9
119.71655	6.3
127.85680	6.7
133.02980	16.5
135.04539	21.8
135.87663	6.8
144.09883	6.5
151.51912	7.5
161.02475	89.4
163.74777	5.9
163.87698	6.0
179.03505	20.1
197.04633	17.0
245.49861	7.5
286.01074	17.8
329.03125	34.2
344.05493	33.8
359.07758	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	1.5
61.98837	17.2
71.25880	1.2
72.99318	26.8
105.03502	1.3
109.02979	5.3
123.04530	10.6
129.60942	1.3
133.02965	17.0
135.04550	30.2
136.04861	1.4
151.04048	2.7
161.02464	100.0
162.02824	5.0
179.03520	20.3
185.02483	2.2
188.03976	1.3
197.04564	35.6
295.06104	1.9
321.04056	3.8
339.05212	2.9
359.07733	21.4
360.08047	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.8
61.98837	100.0
70.96301	3.3
76.78323	2.4
115.00909	2.3
143.12563	2.4
161.02486	2.8
223.05775	2.6
405.36108	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	422.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02316	1.8
58.93325	1.9
59.01382	6.2
61.98839	100.0
65.94921	1.6
81.33335	2.0
86.19535	1.7
98.13314	1.5
100.93405	1.9
106.04629	2.0
116.92904	1.8
119.99217	2.1
122.36858	1.7
242.04367	1.9
250.30942	2.0
275.35031	1.9
343.92953	1.8
358.46170	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	422.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35142	0.9
59.01384	1.7
61.98836	100.0
69.68928	0.8
71.18748	0.9
80.76416	0.9
94.51472	0.9
116.47703	1.0
156.89771	1.0
170.38750	0.9
303.51456	1.1
327.17520	1.1
372.31631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90797	0.7
55.80447	0.7
57.03441	1.3
59.01387	43.4
60.01722	1.1
68.48671	0.6
69.34099	3.8
71.01388	16.4
72.99313	3.4
76.81592	0.7
83.01387	1.8
85.02970	3.9
87.00868	0.8
89.02450	11.1
95.01398	2.2
101.02452	9.7
106.52578	0.8
109.02959	1.8
113.02447	3.9
115.04016	1.9
119.03524	2.8
125.02466	1.1
127.00172	0.8
133.02956	1.8
134.03680	1.5
135.04570	5.5
141.87158	0.8
145.02995	0.8
152.64078	0.8
161.02451	6.9
172.07770	0.9
175.03987	1.9
177.01949	2.6
179.03525	1.4
181.94450	0.8
183.67932	0.8
190.61113	0.7
193.05113	1.0
197.04549	1.7
199.07726	1.2
213.04161	0.9
224.07204	1.3
226.05109	2.1
227.05898	3.2
229.07495	1.2
240.06648	1.3
242.08249	61.4
243.08554	4.0
252.06293	2.0
252.56419	0.9
260.09225	1.4
293.21359	0.9
422.14609	100.0
423.14767	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	423.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34110	0.9
59.01389	10.5
59.10551	0.9
61.98831	1.3
62.04007	0.8
63.29633	1.0
69.70689	3.9
71.01380	5.6
71.20928	1.0
73.02953	1.4
80.91682	4.4
81.07865	1.0
81.40002	1.1
82.95426	7.4
89.02467	3.0
101.02463	1.4
117.00430	1.6
133.02975	21.2
135.04555	8.9
141.00462	4.8
161.02464	100.0
162.02817	4.6
171.01736	1.1
171.03026	4.6
173.00955	4.7
173.04541	2.4
174.01077	1.3
174.60146	1.0
175.02486	3.8
179.03519	20.2
187.99626	2.8
195.12186	0.9
199.02530	2.2
201.00418	7.5
201.02110	1.2
203.03485	2.2
205.46925	0.9
213.80350	1.0
215.02020	2.8
217.03537	4.1
218.03889	0.9
219.01489	4.4
243.01514	19.6
244.01590	1.9
261.02530	15.8
262.02786	1.7
273.02527	1.2
281.06656	1.7
303.03638	3.7
319.06726	1.9
333.04568	1.5
341.08795	38.5
342.09186	3.1
363.05841	6.7
396.39401	1.2
423.08072	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47079	0.6
53.96037	0.7
58.99894	0.8
59.01384	14.6
68.99811	0.8
69.03445	0.8
69.13582	1.5
69.13982	3.1
70.99867	0.7
71.01385	9.3
72.99299	1.0
74.99380	2.2
80.91705	3.9
82.99889	1.0
83.01376	1.6
85.01472	2.0
85.02954	2.3
86.99389	1.3
87.00896	1.7
89.00928	0.8
89.02450	8.9
91.27132	0.7
94.21643	0.7
95.01420	0.8
97.01462	0.7
98.99392	14.8
99.00890	2.7
99.99496	1.3
100.00168	1.7
101.00967	8.8
101.02439	3.5
102.98891	4.7
109.01402	0.9
112.98808	1.1
113.00963	4.5
113.02460	3.1
115.02507	1.3
115.99664	2.7
116.09150	0.7
117.00467	9.9
118.00538	1.0
118.96637	1.0
119.03484	2.6
119.05029	1.4
125.00963	12.8
126.01115	0.9
126.98892	2.0
127.02571	1.1
129.00479	0.9
131.02028	10.0
134.03729	3.0
135.04527	2.6
141.00456	53.1
142.00587	3.2
142.96649	1.6
143.99170	4.1
144.99992	0.9
149.33893	0.8
153.00456	19.1
154.00557	1.2
155.01996	3.3
156.99942	4.5
157.88571	0.7
158.99777	1.3
161.04625	1.4
163.03993	1.5
165.00412	1.7
167.02026	10.8
168.02051	0.8
168.99963	1.3
171.01503	2.8
179.02029	1.1
179.05672	3.9
180.99982	1.4
183.01489	14.0
184.01680	1.2
184.97685	4.7
193.05153	1.0
195.01503	36.4
196.01701	3.3
199.01047	3.4
201.02579	9.4
202.02705	1.1
205.98701	0.8
207.01505	1.0
210.02565	1.3
213.02629	1.2
215.00371	2.3
217.02052	1.2
219.03610	5.6
220.45677	0.8
225.02573	1.9
226.98651	2.0
227.00546	13.8
228.00703	1.2
230.99765	1.2
232.00804	1.0
232.98112	0.7
234.99239	0.9
243.03610	100.0
244.03839	11.5
255.03596	1.5
260.00156	1.9
261.02338	0.8
261.04834	1.8
273.04697	3.6
275.02478	2.6
275.53839	0.8
275.99533	1.5
285.04630	1.6
291.01804	3.2
303.05771	7.4
304.06229	0.8
305.85922	0.7
319.01364	2.7
324.97992	1.1
335.04459	3.1
341.10895	14.9
342.11157	1.1
345.06778	3.1
351.03934	1.1
363.07855	78.9
364.08023	11.3
423.09967	9.3
424.10291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64591	0.9
58.99900	1.1
59.01381	22.4
63.07598	0.8
65.37097	1.0
70.99868	0.8
71.01385	17.0
74.99384	1.9
82.99878	1.2
85.01447	1.7
85.02959	1.4
87.00887	1.4
89.02447	18.3
98.99384	13.5
101.00951	8.0
101.02454	6.6
102.98875	2.6
111.00879	1.1
113.00988	4.2
113.02454	6.7
115.99656	3.4
117.00471	4.6
119.03503	5.7
125.00980	10.5
125.04649	0.8
126.01008	0.9
126.98934	0.9
131.03503	2.0
141.00456	45.9
142.00539	4.8
143.03473	1.7
143.99142	2.9
152.02934	0.8
153.00447	17.8
154.00641	1.7
155.01991	1.8
156.02092	0.9
161.04552	2.8
167.01961	3.4
168.99969	1.0
171.01491	2.9
179.05621	10.3
183.01489	13.6
184.01427	1.1
195.01497	41.1
196.01659	4.1
199.01024	0.9
201.02557	9.4
217.01889	1.3
225.02483	2.2
243.03603	100.0
244.03772	10.9
255.03571	1.6
261.04666	1.0
273.04568	2.2
303.05685	7.6
317.82510	1.0
341.10886	31.0
342.11130	2.4
363.07822	22.9
364.07968	3.0
423.10150	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99535	1.3
52.92004	1.1
56.84537	1.2
59.01385	93.4
69.99412	2.7
69.99766	2.1
71.01389	57.3
72.99326	1.4
73.02950	1.7
80.30653	1.2
80.91686	2.8
82.99897	1.5
83.01380	2.1
85.02967	6.3
87.00884	3.5
89.02457	67.7
92.42036	1.5
95.01408	2.4
97.02946	1.4
98.56041	1.3
98.99399	15.8
100.00185	1.5
101.00975	7.3
101.02456	25.5
102.98887	1.9
113.00974	4.8
113.02465	22.9
117.00468	6.9
119.03506	23.2
125.00974	14.4
128.21004	1.3
131.02029	6.1
131.03546	2.8
141.00468	48.4
141.01588	2.8
142.00603	3.2
143.03540	5.4
143.99191	2.8
149.04532	1.6
153.00468	19.6
153.01659	2.8
155.02063	2.1
156.98546	1.1
156.99969	3.0
161.04552	7.7
161.61909	1.3
167.01947	7.4
168.99940	1.3
171.01485	3.8
179.05626	33.5
183.01465	12.7
183.02823	1.2
184.01721	1.5
184.97768	1.8
188.18152	1.4
191.05600	1.6
195.01505	37.1
196.01733	4.5
199.00941	3.1
201.02559	7.8
219.03622	2.3
227.00546	9.5
243.03613	84.0
244.03845	12.5
254.04100	1.2
255.03613	2.4
273.04785	2.3
275.02448	1.2
303.05725	9.6
304.05783	1.3
319.01428	1.6
324.98279	1.5
331.95511	1.4
335.04810	1.6
341.10910	100.0
342.11243	7.0
363.07883	42.8
364.07932	7.1
423.10110	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	423.1667
Annotation	[3aR-(3aR*,5E,9Z,11aR*)]- 2,3,3a,4,7,8,11,11a-Octahydro-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
55.01883	1.8
57.03435	1.7
59.01398	7.1
64.56010	0.9
70.48184	2.3
71.01019	2.0
71.01387	25.5
72.99316	6.1
73.02952	7.7
83.01395	2.7
85.02958	12.3
95.01386	1.9
97.02956	1.5
99.00903	2.4
101.02442	13.2
108.02209	1.6
109.02956	5.9
113.02459	6.6
121.02924	1.6
123.04543	1.7
133.02980	1.3
135.04532	7.9
137.09679	1.2
145.03004	1.2
147.08182	3.4
151.04037	1.3
161.02461	3.5
161.04555	5.6
161.09741	1.2
162.02979	1.1
162.06888	1.5
163.04027	1.2
163.07669	40.9
164.08032	3.2
173.13356	7.7
175.04015	1.4
175.07675	2.0
175.11285	15.0
179.03520	1.8
181.04967	1.1
185.02496	3.0
187.07666	4.3
189.12889	5.8
191.53377	1.1
197.04486	2.5
199.11302	3.5
201.09230	16.0
202.10007	100.0
203.10356	5.6
205.31081	0.9
206.09433	1.4
215.10724	1.2
217.12346	94.1
218.12651	7.0
228.08015	1.3
231.10196	1.4
237.05643	1.2
243.10294	4.1
255.06686	3.1
260.10489	2.8
261.11331	91.9
262.11642	6.9
267.06555	1.2
285.07806	2.4
293.04456	1.7
295.06137	2.5
321.04053	8.7
339.05209	3.0
379.17526	3.9
423.16602	80.4
424.16986	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	423.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45226	1.0
55.01881	4.6
57.03457	2.5
59.01385	100.0
60.01679	1.1
61.98819	1.3
63.70861	1.2
63.94416	1.1
69.03487	1.6
69.25536	4.1
71.01388	90.3
72.01715	1.6
72.99318	4.8
73.02952	25.6
75.13843	1.0
75.52859	1.1
83.01389	8.3
85.02960	24.8
87.00880	8.3
89.02453	84.5
94.39204	1.1
95.01423	6.4
95.68013	1.2
97.02974	4.4
98.21879	2.0
99.00893	5.6
101.02454	72.1
109.02969	1.3
113.02464	39.6
114.02813	1.1
119.03519	30.8
120.03882	1.0
125.02459	4.9
131.03522	6.8
135.04530	3.8
143.03487	11.1
146.47701	1.0
149.04567	3.4
159.02989	3.8
161.02492	1.3
161.04576	26.0
179.05626	42.9
180.05966	1.8
197.04512	1.8
213.38269	1.3
221.06656	16.1
261.13535	1.7
295.06152	1.4
320.93781	1.1
321.03894	1.3
423.18677	15.4
424.18921	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33698	0.8
52.35233	0.8
53.03347	0.7
55.01883	7.8
57.03467	4.7
58.00617	1.4
59.01386	52.0
60.01735	0.9
69.03473	1.2
69.33175	2.3
69.33580	1.5
71.01389	62.0
72.99318	4.6
72.99647	0.7
73.02956	37.9
75.00871	2.2
77.55701	0.7
81.03493	1.1
83.01389	13.2
85.02966	31.9
86.00106	2.4
86.03326	0.8
87.00885	4.5
89.02457	11.1
90.23005	0.7
95.01405	5.5
96.27837	0.6
97.02951	3.4
99.00886	11.9
99.04546	0.7
101.02457	71.2
102.02773	1.7
109.02982	3.0
110.77654	0.8
111.00887	1.5
113.01712	1.5
113.02464	23.1
115.04025	2.2
123.04469	1.1
125.02472	5.2
129.01929	2.0
129.12912	0.9
131.03529	2.9
133.02946	4.2
134.03740	1.8
135.04543	15.9
136.91217	0.7
143.03502	2.8
149.02428	0.8
149.04575	1.8
151.04099	0.8
159.03000	4.2
161.02515	10.4
161.04572	28.4
162.02777	2.2
179.03508	5.1
197.04564	2.6
198.57703	0.8
233.06685	3.3
267.06476	1.4
272.76373	0.9
291.18164	97.3
292.18509	8.5
295.06195	2.0
311.05618	1.3
385.64246	3.9
386.14249	1.0
423.22403	100.0
424.22733	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	424.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62056	2.9
61.98839	100.0
69.48313	14.7
98.21809	3.2
107.23302	3.4
114.28509	3.3
116.92897	7.6
131.31837	3.1
223.52997	3.0
251.15836	3.4
361.20135	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	425.0186
Annotation	Axillarin 7-sulfate
Peak:m/z	Relative Intensity
57.03438	2.3
59.01385	45.9
61.98825	7.8
66.64755	2.2
69.03463	2.8
69.45763	2.0
71.01373	10.5
71.41353	1.7
72.99294	2.9
73.02950	4.3
82.95421	18.9
83.01403	2.5
83.93073	3.8
84.93875	5.7
85.02948	3.4
87.00875	17.8
89.02438	3.8
99.00868	6.0
99.92592	82.5
100.92665	4.2
100.93370	49.7
100.94051	2.2
101.02455	9.6
101.93416	4.1
106.16350	2.1
107.85580	1.9
109.02959	13.9
113.02440	2.3
113.72355	2.0
115.92081	82.1
116.92123	3.6
116.92870	48.9
117.03458	2.8
119.04996	11.4
121.02956	16.0
123.04507	3.1
125.02468	3.6
126.94939	3.6
133.02974	4.1
134.03769	19.5
135.04622	9.2
141.93637	7.1
142.94464	11.0
154.94409	3.5
159.04546	2.7
161.02457	6.7
163.04070	3.4
164.83417	1.8
168.95938	1.9
169.93117	3.7
170.93924	12.4
179.03485	12.5
189.97282	2.9
196.95508	3.0
202.99567	2.2
203.03377	5.0
210.97081	2.7
217.96753	7.3
218.97589	5.5
224.95142	2.3
226.96539	15.2
234.99492	1.7
242.96062	2.5
244.20961	2.0
244.97572	13.1
246.97070	8.5
250.96552	3.0
255.06691	5.1
260.45023	2.1
261.98077	2.4
269.08267	3.3
288.97934	3.4
305.08823	8.0
313.07257	7.6
323.09869	4.5
355.61984	1.9
357.06064	2.8
363.01791	6.3
381.02686	3.2
388.99634	13.7
425.01871	100.0
426.01947	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	425.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85087	0.7
59.01385	78.0
71.01379	2.0
75.72311	0.6
78.95911	1.1
89.02451	1.7
100.99131	1.5
101.02469	1.4
113.02469	0.9
117.00469	1.3
117.99374	0.8
119.00236	0.9
119.03542	0.9
123.86987	0.6
127.00752	1.1
141.00436	2.7
142.00754	0.6
143.00183	5.7
143.85995	0.6
155.00208	2.0
157.03572	7.7
159.01540	4.6
178.97890	0.7
179.05627	1.4
183.01462	3.9
184.01294	0.7
185.01245	1.5
197.01172	5.0
201.02573	100.0
202.02727	9.4
203.02319	1.3
243.03656	2.5
244.03705	2.2
245.03412	14.8
246.03848	0.8
283.01614	2.6
284.01276	1.7
301.02466	0.7
305.05893	1.1
325.02774	1.1
341.11020	1.9
342.99554	1.5
343.03729	23.2
343.11404	2.5
344.03763	5.7
365.07837	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
59.95593	0.2
61.49586	0.3
65.03960	0.8
71.01385	0.4
72.99300	0.5
73.02940	0.7
82.95419	0.3
93.03467	59.7
94.03793	2.0
98.21847	0.5
104.16618	0.3
109.02937	0.3
112.35005	0.2
117.03438	0.3
133.02968	1.0
135.04538	2.5
137.02460	100.0
138.02791	3.7
161.02457	4.6
178.74352	0.3
179.03522	0.9
197.04640	0.3
205.05148	0.6
210.26039	0.3
221.08206	0.4
245.50760	0.3
245.66838	0.3
263.09094	0.3
282.65836	0.3
313.20453	0.3
425.14651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97041	1.0
59.01378	9.7
59.02809	1.1
62.76458	0.9
64.46276	1.0
79.58488	1.2
98.21899	3.4
99.98894	3.7
124.49017	1.0
132.81363	1.2
136.94022	2.6
137.94130	2.4
138.93733	6.5
140.93303	1.8
141.99976	81.4
143.00082	5.6
178.94998	1.6
180.94775	3.8
184.01031	31.4
185.01132	2.6
201.02579	5.0
202.02837	1.9
238.93758	1.2
239.93913	3.3
240.93550	2.8
242.00066	2.3
274.88641	1.9
280.94934	3.0
281.95084	8.4
282.94794	8.5
283.94928	3.7
284.01154	100.0
284.99060	1.1
285.01407	15.4
301.87952	2.8
360.82236	1.2
384.01657	1.1
425.87967	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	427.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
59.01387	21.4
63.83382	0.3
71.01019	0.5
71.01391	6.1
71.01814	0.7
73.02950	0.7
73.88712	0.3
77.93853	0.4
85.02958	1.5
85.64558	0.3
89.02458	5.7
95.01407	0.4
96.96023	1.1
98.72436	0.4
99.00881	0.4
101.02462	3.8
103.61039	0.4
105.03461	0.4
109.02943	0.4
113.02455	3.4
117.03497	0.6
119.03533	1.7
120.51820	0.3
132.02187	1.2
133.02975	23.6
134.03677	1.1
135.04539	11.7
136.04863	0.5
138.06917	0.5
148.05307	0.6
149.06105	1.5
152.08418	1.5
153.09222	2.4
161.02461	100.0
162.02795	4.8
175.04047	0.5
177.05576	3.7
178.02849	0.5
179.03516	11.7
180.03806	0.5
203.03580	0.5
203.10802	0.3
205.12439	0.9
221.04582	4.9
222.05064	0.4
233.04578	0.4
240.75145	0.4
251.05611	5.3
265.09326	1.4
265.14548	0.4
281.06696	10.6
282.07010	0.7
341.08817	3.9
367.17612	0.8
427.12466	29.2
428.12805	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	427.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46640	0.5
59.01382	0.6
61.13506	0.5
61.98826	0.6
71.01781	0.5
72.98899	1.2
72.99316	26.0
98.21889	1.1
116.92871	0.7
121.02966	0.8
122.03786	1.1
123.04536	6.4
132.02190	1.7
133.02972	28.1
134.03786	8.5
135.04539	18.6
136.04881	1.0
137.02472	3.3
139.04018	1.2
146.03746	2.9
148.05319	0.8
151.04031	1.0
161.02461	100.0
162.02843	4.0
172.05301	3.4
174.03285	0.6
177.67856	0.5
178.02739	14.1
179.02029	1.1
179.03514	13.6
179.05115	0.7
180.03979	0.6
180.35638	0.5
186.83836	0.5
191.10796	1.0
196.03778	1.7
197.04573	19.6
198.04922	1.2
199.04047	0.5
201.09239	5.6
203.10789	2.5
224.16798	0.6
229.08707	69.1
230.09047	5.4
247.09772	2.9
265.10880	7.0
427.13910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05925	0.5
59.01374	1.7
69.24305	3.0
72.99316	22.0
74.87988	0.6
76.78848	0.5
86.31717	0.5
93.93022	0.6
109.02956	0.6
114.36578	0.6
116.92879	0.7
121.02966	0.7
122.03745	3.9
132.02191	2.0
133.02971	27.6
134.03757	6.8
135.04553	7.2
137.02444	4.0
139.04044	1.1
141.76219	0.6
149.02376	0.7
150.03224	0.7
151.04045	0.6
159.04552	1.0
161.02463	100.0
162.02797	4.3
174.03157	0.8
178.02708	8.4
179.03511	4.5
191.10783	3.8
203.10796	4.0
229.08704	1.5
240.01982	0.5
247.09892	2.2
265.10812	17.2
266.11090	1.6
267.06821	0.9
302.90674	0.7
306.49896	0.6
316.83063	0.6
416.79123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Hyuganoside V
Peak:m/z	Relative Intensity
59.01389	2.2
63.02388	0.1
70.19958	0.1
71.01375	0.4
71.70565	0.1
73.02947	0.2
79.05533	0.7
81.03464	2.4
85.02950	0.3
87.33793	0.1
91.01905	0.8
96.96037	0.2
99.00896	0.1
101.02451	0.3
105.03455	0.1
113.02471	0.1
117.03431	0.1
117.96300	0.1
119.32706	0.1
121.02932	0.2
122.03751	1.4
123.04562	0.1
133.10313	0.1
135.04530	0.4
135.11818	7.1
136.12141	0.2
137.09732	9.9
138.10042	0.4
145.02985	0.2
146.03674	0.1
161.09729	0.7
163.11307	0.1
169.31479	0.1
177.09293	0.1
178.10097	0.2
179.10786	100.0
179.45490	0.1
180.11124	5.7
191.10785	0.3
193.10402	0.1
193.12167	0.1
203.10802	0.5
205.08702	9.6
206.09009	0.4
221.11858	0.5
222.08975	0.2
223.09769	4.3
224.10144	0.3
247.09712	0.3
262.75577	0.1
265.10776	0.3
427.16098	54.7
428.16461	6.7
428.22433	0.2
448.43616	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	427.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.3
69.32597	3.2
69.32997	5.2
71.01389	2.9
72.77074	1.3
72.99316	10.2
73.02964	2.3
85.02988	1.4
92.10553	1.2
92.94779	1.2
97.93315	1.3
101.02425	2.6
109.02967	2.1
113.02495	2.4
122.03720	2.7
123.04548	4.6
134.03748	2.2
135.04547	36.1
135.11809	3.2
136.04878	1.9
137.02423	3.4
137.09758	6.4
161.02495	3.9
179.03532	11.3
179.10793	100.0
180.11153	9.5
197.04578	12.4
203.10773	6.7
247.09785	9.1
259.72092	1.6
404.69846	1.6
418.86069	1.7
427.19211	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	427.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.1
59.01385	100.0
60.01727	1.0
71.01389	13.4
73.02955	7.8
83.01414	2.0
85.02964	5.1
87.00916	1.0
89.02464	4.2
90.56025	0.6
95.01418	1.8
95.05064	0.9
96.96047	0.8
97.02980	1.1
98.21912	0.7
99.00915	1.1
101.02448	5.9
103.04106	0.8
109.02991	0.9
109.33704	0.6
113.02462	10.6
117.03506	0.7
125.06094	1.2
131.03496	0.6
133.03006	2.7
133.78857	0.6
134.03767	1.9
135.04536	5.2
136.05275	1.7
138.06871	4.1
139.07806	0.9
142.33675	0.6
143.03586	0.7
151.07661	3.9
152.08444	13.7
153.09227	24.1
154.09676	1.0
160.01677	0.8
161.02460	12.9
161.04628	2.7
162.02887	1.1
165.09299	1.0
175.04117	0.7
179.03555	4.8
190.02866	0.7
193.05174	2.0
205.05121	1.2
205.12375	10.7
206.12775	1.3
221.04607	1.5
223.13519	2.6
235.05978	0.6
247.13414	1.0
251.05765	1.5
323.07849	4.8
367.17575	8.9
368.18268	0.8
385.18839	1.4
427.12851	2.5
427.20074	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	427.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.2
75.56403	4.8
85.43733	4.6
133.02985	27.0
150.03268	6.5
161.02473	100.0
161.40657	5.5
427.27423	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	427.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	36.7
69.32385	100.0
90.26109	18.7
98.22649	28.8
135.04483	23.3
140.29034	19.7
147.48387	17.7
221.15494	53.5
309.01831	17.6
325.10986	34.9
427.27505	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16151	0.4
57.03446	1.4
59.01385	6.9
67.07465	0.4
69.46393	0.7
69.46770	1.0
71.01388	3.9
72.99315	0.5
73.02951	1.3
82.23209	0.4
82.23714	0.4
85.02953	1.5
87.00873	0.4
89.02457	2.5
91.85120	0.4
93.03473	0.6
99.04523	0.8
101.02466	3.1
107.49169	0.4
107.50661	0.4
109.02953	0.8
113.02486	1.1
116.97205	0.4
117.03478	25.2
118.03831	1.2
119.05038	12.6
120.05390	0.6
121.02993	0.7
121.05069	1.6
123.04536	1.5
125.02421	0.6
133.02957	1.3
135.04543	1.7
137.02365	0.4
145.02966	100.0
146.03305	5.1
147.04485	0.5
161.02473	3.1
161.06064	1.1
163.04022	21.4
164.04364	1.1
179.03517	0.6
205.05083	1.8
265.07230	1.4
267.08786	0.8
285.09760	0.8
307.08228	0.8
429.14023	44.3
430.14490	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
55.16797	1.3
57.03440	2.0
58.00596	1.5
59.01386	100.0
60.01712	1.5
64.28143	1.4
69.03481	1.9
71.01390	50.7
72.99324	3.6
73.02954	1.6
75.00842	1.6
78.88482	1.3
83.01402	5.4
85.02959	11.6
87.00892	3.8
89.02456	51.5
95.01413	3.7
97.02995	2.3
101.02452	31.7
105.01962	1.2
112.98804	1.5
113.02470	20.9
117.03487	1.4
119.03519	30.3
121.02931	3.9
122.03776	1.3
123.04510	2.0
131.03535	2.1
133.02968	2.4
134.03770	4.6
135.04549	23.8
136.01669	3.8
137.02519	2.0
139.04028	5.9
143.03482	4.5
145.02997	3.0
149.04411	1.9
149.06110	1.6
151.04016	4.3
159.04543	1.6
160.05373	3.9
161.02487	8.4
161.04503	2.6
161.06009	2.5
163.04016	2.1
165.01923	3.2
172.05334	2.1
175.03970	2.3
175.07649	3.2
178.02753	1.7
179.03557	3.8
179.05637	5.8
189.05606	17.4
190.06363	29.2
193.05013	3.3
200.38803	1.3
203.03459	1.5
204.04285	78.6
205.04668	3.8
205.08717	52.7
206.09009	2.7
219.04500	2.2
219.06639	46.6
220.07202	1.8
231.06613	2.3
234.05278	1.8
249.07704	80.7
250.08052	4.6
267.06839	2.1
291.77365	1.4
369.12027	1.3
429.14099	16.9
430.14435	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	429.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	21.7
59.01384	100.0
61.98827	1.3
70.57923	2.6
70.60932	1.2
71.01392	39.8
72.99311	3.9
73.02955	15.3
75.00908	1.1
81.03458	1.3
83.01407	4.1
85.02960	13.1
87.00853	2.1
87.42104	1.1
89.02455	35.8
95.01402	6.7
97.02958	1.6
99.04531	5.1
101.02447	32.1
108.02209	1.4
109.02991	1.5
112.98833	4.3
113.02457	35.1
119.03524	15.5
121.02975	1.6
123.04521	3.0
125.02447	3.4
131.03514	3.4
133.02989	6.8
134.03726	4.4
135.04532	12.3
136.04053	1.4
137.02420	2.6
139.04012	2.9
143.03537	6.1
145.02965	1.4
149.04507	2.8
159.02928	1.5
161.02457	19.3
161.04561	15.1
163.11273	8.7
167.03540	1.6
175.03998	3.1
179.03513	4.4
179.05629	32.2
193.05002	4.8
197.04579	2.1
207.10304	2.9
221.06702	3.6
285.09781	23.9
287.62909	1.4
307.04660	1.6
315.88260	1.4
327.10815	1.7
387.16537	3.0
429.18158	21.7
430.18314	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06422	0.7
59.01381	1.3
61.66825	0.5
61.98820	1.3
65.53867	0.6
67.97162	0.7
69.81248	2.0
72.00919	8.5
74.02483	15.2
74.11346	0.5
89.02464	0.6
96.96037	1.2
97.27402	0.5
98.22591	0.8
105.01966	1.4
116.05077	51.5
116.92857	1.9
117.05402	1.8
129.05865	1.5
130.06644	12.3
130.07573	1.3
135.04514	1.3
142.06647	10.6
157.07668	1.6
159.09274	11.8
161.02504	1.1
161.04736	0.7
179.03523	1.1
186.05594	2.5
201.57089	0.6
203.08276	100.0
204.08609	4.9
225.06470	68.6
226.06764	3.8
267.04791	0.8
429.09543	1.3
429.15417	25.1
430.15741	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21255	1.3
54.16368	1.7
55.01892	4.9
57.03461	6.9
59.01385	100.0
60.45838	1.3
67.01900	1.7
68.99821	1.7
69.03465	19.9
69.37913	5.1
69.38328	3.0
71.01389	71.4
72.99316	3.9
73.02945	10.5
75.00872	2.0
81.03464	8.2
83.01402	6.4
83.05041	3.9
85.02961	36.6
85.84362	1.5
87.00871	6.3
87.01342	1.4
89.02458	37.5
93.03459	1.9
95.01405	4.9
97.02962	66.3
97.06661	1.8
98.03773	2.7
99.00909	7.3
99.04537	13.1
101.02460	38.1
107.05058	1.8
109.02959	4.8
109.06598	20.5
111.00909	7.3
111.04546	7.8
113.02460	27.8
119.03519	16.3
121.06574	2.9
123.04525	3.4
123.08195	4.9
124.20636	1.6
125.06136	2.5
125.09734	55.2
126.10073	3.5
127.03999	1.9
129.01881	1.6
129.05595	1.7
135.04543	4.8
139.03992	6.8
143.03534	2.6
145.05142	1.9
151.04015	1.5
161.04611	10.7
161.05981	1.6
165.09196	2.9
179.03493	2.0
179.05672	1.5
203.39450	1.7
205.12300	3.5
207.13962	5.5
209.11847	3.7
223.13362	6.9
231.08812	6.3
259.08243	62.7
260.08450	1.9
280.79089	1.5
336.63461	1.6
391.10120	1.8
429.17664	45.8
430.18134	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03455	1.2
59.01386	100.0
69.70232	3.3
71.01388	43.3
72.99320	1.7
73.02982	1.2
81.07103	1.9
83.01391	1.7
85.02945	9.9
87.00880	2.7
89.02456	45.2
95.01384	2.8
99.04528	7.1
101.02454	23.5
111.04565	2.0
111.97814	1.1
113.02461	16.7
119.03514	21.1
128.09152	0.9
131.03534	2.3
135.04608	2.2
143.03539	2.7
144.93898	1.0
161.02467	3.6
161.04544	2.6
161.13374	17.2
162.02788	1.8
179.05583	6.1
181.89273	1.0
187.11258	4.3
205.12354	55.5
206.12691	4.0
235.78760	1.1
249.11334	54.7
250.11732	4.2
251.78635	1.1
290.86798	1.0
359.00375	1.0
429.17624	10.6
430.18164	1.6
433.94742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
59.01387	100.0
60.01723	1.2
71.01392	46.1
73.02976	1.2
81.07117	2.3
83.01404	1.2
85.02953	6.5
87.00874	0.9
89.02460	51.3
90.02773	1.3
95.01435	2.8
99.04532	7.4
101.02457	22.0
109.71435	1.1
111.04533	1.1
111.79792	0.8
113.02470	17.5
119.03517	22.8
119.04333	1.5
125.02429	1.1
130.09413	0.9
131.03506	1.0
135.04480	1.2
143.03535	3.9
146.19269	1.1
149.04541	2.0
161.04550	1.7
161.13383	14.8
162.13684	1.4
179.05620	4.6
187.11380	1.1
194.89124	1.0
205.12360	46.6
206.12747	3.0
249.11357	54.6
250.11742	2.8
429.17575	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01386	100.0
60.01720	1.3
60.42178	0.4
70.99804	0.6
71.01392	8.5
72.99329	0.6
73.02956	16.6
83.01400	3.2
85.02963	1.3
87.00906	0.7
87.04395	0.4
89.02451	2.6
97.03005	0.5
101.02457	9.5
102.24085	0.4
108.02207	1.2
112.98817	1.3
113.02475	2.8
115.79354	0.4
119.03536	1.0
123.04568	1.0
125.02431	0.6
132.02216	0.6
133.02954	0.6
134.03725	2.1
135.04552	1.2
149.06079	0.6
152.01152	2.4
160.01663	1.1
161.02484	1.8
161.04599	0.8
162.02895	0.5
163.11316	2.8
167.03520	4.5
175.04045	1.8
179.03522	0.5
193.05070	1.2
207.10281	8.4
208.10570	0.6
219.01465	0.5
273.72852	0.5
290.37900	0.4
320.95004	0.4
369.15607	1.0
387.16650	5.8
388.16946	0.6
403.93536	0.4
429.17746	44.1
430.18143	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
59.01386	63.8
63.49862	0.6
65.03978	4.4
67.01887	2.5
69.42459	1.3
69.42844	1.5
69.68630	0.6
71.01397	8.6
71.05036	1.2
72.99294	1.4
73.02950	6.0
83.01387	2.4
83.05016	1.0
84.05148	0.6
85.02966	2.7
87.00863	3.2
89.02454	8.7
91.01903	3.4
93.03474	2.2
95.01350	1.0
95.05035	1.5
97.02976	1.2
97.06614	3.7
98.22615	1.4
101.02461	6.5
107.05036	7.6
109.02963	37.4
109.06664	0.7
110.03272	0.7
112.98798	3.2
113.02496	4.3
117.03487	0.7
119.03522	2.7
119.05053	0.7
120.05836	1.9
123.04554	0.8
133.02991	1.0
134.03781	3.3
135.00906	20.2
135.04549	13.1
139.04030	6.6
141.05605	0.8
143.03592	0.9
151.04100	0.6
153.01955	100.0
154.02278	3.6
155.08748	0.6
157.06505	0.8
159.08142	0.9
160.01651	1.0
161.02464	3.4
161.04575	1.3
161.09753	5.5
161.13400	2.5
163.04024	0.6
163.11319	5.3
164.11757	0.6
175.04056	0.8
179.03540	3.7
179.05632	0.7
187.11310	9.2
189.09256	3.5
193.05066	2.7
197.04547	1.7
203.10895	1.2
205.12350	4.9
206.12665	1.0
207.10291	10.9
223.13411	42.8
224.13814	2.6
229.12376	0.9
249.11356	5.2
267.12390	50.8
268.12747	3.2
291.12347	0.8
309.13388	1.1
369.15567	0.9
419.25418	0.7
429.10370	7.5
429.17639	5.9
430.18137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34042	0.2
55.57330	0.2
64.06036	0.2
69.57263	0.6
83.74741	0.2
84.93869	0.3
98.22604	0.4
98.95406	0.2
99.00920	0.3
99.92595	4.8
100.93375	35.6
101.93382	1.8
110.30822	0.2
111.00886	0.2
113.81834	0.2
115.92092	100.0
116.92092	4.7
116.92880	7.0
117.92859	0.2
132.92381	1.2
142.94456	0.4
148.99048	0.2
154.94429	0.3
155.95192	0.4
172.95500	13.5
173.95633	1.0
255.23322	0.7
278.93625	0.2
298.22070	0.2
355.15796	1.2
356.16531	0.4
371.15155	0.6
381.17416	2.0
382.17422	0.3
411.18405	0.6
429.19540	8.9
430.19925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
56.82621	0.5
57.03450	2.6
58.43771	0.5
59.01386	100.0
69.31521	3.3
71.01389	22.0
72.99323	0.9
73.02952	8.1
74.03488	0.5
83.01398	4.1
85.02961	11.2
86.00076	0.5
87.00871	1.3
89.02480	2.5
95.01398	1.7
97.02982	0.8
99.00877	2.6
101.02453	15.3
101.03106	1.0
109.02988	3.0
112.98815	0.7
113.02465	7.7
117.03495	1.6
118.04361	0.8
119.03552	0.7
119.05080	1.6
125.02487	2.2
131.05086	0.5
133.06699	0.7
135.04546	0.7
137.09790	2.3
145.02959	3.7
146.03348	1.6
149.02510	0.9
159.03065	1.7
161.02536	0.7
161.04581	11.8
163.00565	0.6
163.04025	2.4
163.11302	0.6
189.12927	1.6
193.01363	1.0
193.05139	0.9
203.05621	0.8
205.05125	0.7
225.15001	2.9
237.06023	1.2
237.56134	2.0
249.14996	0.7
260.84738	0.6
265.07330	1.1
267.03043	0.9
268.03531	1.0
284.03345	1.0
285.03958	1.0
296.56393	1.0
321.17471	0.8
369.19229	3.6
387.20282	22.8
388.20627	3.3
429.21725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49025	0.6
52.96912	0.8
53.56952	0.6
59.01387	100.0
60.01713	1.3
69.52620	2.5
71.01395	8.3
72.99310	2.1
73.02959	14.9
76.29646	0.9
83.01403	2.5
85.02984	1.5
87.00893	1.5
89.02454	4.2
94.06512	0.7
95.01385	0.8
101.02464	8.5
112.98822	2.2
113.02449	3.6
119.03526	1.4
123.04560	1.2
130.33099	0.7
131.03441	0.9
132.02206	0.8
134.03798	3.2
135.04518	3.5
143.03496	0.8
149.06148	0.9
161.02461	2.7
161.04628	1.9
163.11322	2.6
167.03555	1.0
175.04002	1.2
179.03566	1.5
193.05084	3.1
196.87885	0.7
207.10304	7.8
233.04573	0.9
250.14757	0.8
273.68384	0.7
329.91275	0.8
369.15399	1.2
387.16632	5.2
387.55194	0.7
429.17642	43.6
430.18057	5.7
445.37042	0.7
446.33640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Dendroside F
Peak:m/z	Relative Intensity
52.22165	0.3
55.01885	0.7
57.03172	0.8
57.03454	16.3
58.00594	0.5
59.01387	37.7
69.03471	0.4
71.01389	16.2
71.05013	0.6
72.99324	0.8
73.02984	0.4
83.01396	1.0
85.02961	3.0
85.06592	0.5
89.02451	11.3
95.01432	1.3
96.85565	0.5
98.21844	0.6
101.02458	7.7
106.13464	0.4
107.05135	0.4
113.02463	5.4
119.03499	3.8
133.10309	0.4
135.04521	0.4
135.11803	5.6
137.09743	0.7
161.04666	0.5
163.13478	0.4
189.12860	7.6
189.14481	0.6
190.13217	0.5
195.80933	0.4
205.15988	3.7
242.18190	0.4
249.14955	2.2
267.16064	7.6
345.96094	0.4
429.21329	100.0
430.21689	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	430.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	30.1
60.92570	0.5
66.61070	0.5
69.34354	1.2
69.34772	1.2
71.01401	0.6
81.22655	0.5
90.97144	1.1
97.42444	0.6
98.21949	0.8
113.64641	0.5
117.00456	0.8
120.45359	0.5
123.36008	0.4
128.07181	1.1
130.08752	100.0
131.09096	2.6
132.98227	3.0
146.99780	1.3
160.63606	0.5
160.97687	0.7
174.99278	7.0
187.98872	0.9
201.02562	3.6
202.02762	0.5
217.00330	16.9
218.00661	0.7
227.99121	0.5
228.07222	1.1
230.08894	2.8
242.00638	0.6
244.05063	4.0
246.06601	2.2
272.09930	17.0
273.10156	2.4
274.64099	0.5
288.07690	73.9
289.08099	3.1
290.97113	3.0
294.00391	0.8
388.07388	0.6
430.08823	9.4
430.22192	2.4
431.09186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01388	53.4
72.99309	15.2
73.02948	14.0
75.00878	12.2
85.02961	11.8
86.97387	5.4
89.02451	48.0
92.52209	5.1
93.03455	12.3
95.01406	5.0
99.00859	6.6
101.02470	28.7
109.02975	9.9
112.98839	8.0
113.02443	19.3
119.03489	17.5
123.00901	4.8
124.01664	14.8
125.02461	31.6
133.02950	18.2
134.03709	8.6
135.04550	59.5
137.02472	33.0
143.04604	7.3
145.02963	9.4
149.02370	5.2
149.99571	12.7
161.02466	65.0
161.04504	10.3
162.02817	20.6
163.04047	7.2
163.60735	6.2
168.00623	44.1
175.04071	8.3
178.02777	6.6
179.03502	34.7
179.05725	7.5
193.05013	13.9
197.04536	11.2
236.05553	5.7
239.05550	16.7
311.09863	9.3
326.52881	5.3
391.50174	5.2
430.14261	24.2
431.11923	99.8
431.22968	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	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	39.6
60.98497	4.5
69.36909	13.1
71.01394	43.8
72.99312	6.6
73.02956	19.3
79.99875	4.5
84.99332	4.7
85.02976	21.5
87.00890	8.0
87.47014	4.6
89.02477	5.0
90.23895	4.7
98.22662	9.1
101.02443	34.2
112.71574	4.1
112.98832	18.0
113.02467	23.9
133.03030	4.9
134.03784	9.5
135.04562	21.8
143.03569	6.7
149.02499	6.1
161.02475	17.5
161.04591	43.8
179.03539	8.1
193.05110	13.0
197.04559	7.1
212.68727	4.5
237.04082	11.0
245.61595	4.5
387.20291	100.0
388.20648	9.1
431.15356	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	430.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96213	2.0
59.01386	100.0
60.03938	2.0
68.12986	2.3
69.43560	9.8
69.79416	2.0
71.01389	16.8
72.99330	6.1
73.02966	5.6
73.46714	2.0
82.25330	1.8
83.01367	2.5
85.02972	7.5
87.00935	2.0
89.02441	11.8
101.02458	19.7
108.74002	1.8
109.02928	3.2
112.98833	14.8
113.02477	10.3
119.03526	4.8
128.36136	2.1
131.10490	2.1
132.02216	2.8
134.03763	11.9
135.04565	30.7
137.02515	2.4
149.06097	3.2
160.01695	2.6
161.02492	11.4
161.04605	8.9
175.04030	4.6
178.02757	2.1
179.03584	9.7
193.05124	13.5
197.04570	3.3
224.19719	2.2
233.04552	3.8
242.06052	3.1
257.08237	4.1
293.96353	2.2
387.20227	32.6
389.21695	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	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.8
69.03459	2.5
69.26862	5.1
71.01402	1.4
73.02940	5.2
79.01944	1.1
81.03468	1.2
83.01400	1.7
89.02493	1.0
89.23425	1.3
89.62051	1.0
92.46938	1.1
95.01424	2.0
97.02980	2.6
101.02441	1.2
101.88834	1.1
104.58930	1.0
107.01406	1.6
107.74326	1.1
109.02982	1.2
117.05618	1.6
123.00905	7.2
124.01682	28.1
125.02459	54.4
136.74220	1.1
137.02477	3.4
145.50186	1.3
149.99600	30.2
151.00345	2.9
160.72075	1.1
167.03485	1.9
168.00667	70.7
169.01421	5.5
313.05585	2.5
413.10733	1.5
431.11972	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	431.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61110	0.4
59.01385	0.9
66.92311	0.4
75.57401	0.4
82.34765	0.4
95.08659	0.4
95.69953	0.4
98.21786	0.8
99.87354	0.4
99.92595	9.3
100.92652	0.4
111.21140	0.4
116.92875	100.0
117.92883	6.4
117.94749	0.4
133.02983	0.8
134.55634	0.4
135.04564	0.8
161.02473	2.3
192.03366	0.4
442.83911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79599	0.5
59.01385	5.1
66.18942	0.5
71.01410	1.3
72.99345	1.7
73.06413	0.5
74.08205	0.5
74.57919	0.6
79.95750	6.0
80.96550	2.2
103.95031	0.5
108.18374	0.6
116.92883	4.2
117.87817	0.6
133.03000	3.0
134.03717	0.8
135.04546	6.6
149.02524	0.7
161.02431	7.3
179.03543	3.0
197.04582	0.8
221.06158	2.3
222.06833	1.0
236.08525	0.7
245.06119	1.0
246.06915	0.8
248.04906	1.3
249.05583	15.9
249.08009	1.3
250.05978	1.3
251.03482	0.7
261.05569	0.8
263.07153	2.8
265.05060	1.4
266.05731	0.7
267.06613	0.7
274.06384	0.7
275.03528	0.8
276.04294	2.0
277.05090	18.9
278.05466	1.6
291.06671	5.9
292.07272	1.5
293.04608	10.9
293.07962	0.8
303.02954	1.7
304.03534	0.9
307.06195	2.1
308.06857	0.8
320.03256	10.8
321.04047	17.5
321.07895	0.9
322.04483	1.0
335.05643	31.8
336.06403	30.5
337.06702	2.9
351.08762	100.0
352.09079	9.0
431.04425	66.4
431.21823	0.6
432.04761	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	431.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.9
60.99314	12.5
61.98836	2.3
69.39500	4.5
71.01395	1.9
88.98814	89.0
89.02461	2.5
98.22665	1.9
101.02432	1.4
106.96516	1.0
109.02994	1.7
125.02455	2.8
133.02982	2.9
135.04572	2.7
136.01685	4.2
137.02460	100.0
138.02753	4.0
148.90996	6.0
161.02464	15.9
162.02744	1.7
168.00647	2.5
179.03545	4.7
208.93123	1.5
222.92558	5.3
224.94107	1.6
250.92148	4.6
281.06897	1.3
340.94946	1.9
341.08832	8.0
430.98532	4.9
431.12015	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	431.0987
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
59.01387	47.8
61.43147	1.3
68.99803	1.5
69.37993	6.3
71.01378	4.8
72.00308	1.5
72.99319	18.4
73.02917	1.9
83.01369	1.4
85.02934	2.6
89.02455	3.2
93.03447	4.1
95.05070	2.2
96.96017	1.8
98.22657	3.0
101.02389	1.7
104.28697	1.4
104.53858	1.3
105.03476	2.0
107.05038	2.5
108.02187	1.3
109.02975	7.5
113.02414	1.6
117.03458	2.0
119.05019	5.0
121.02982	18.1
121.06604	1.6
123.00919	3.5
123.04555	7.0
123.08245	1.3
124.01680	2.8
133.02980	13.5
134.03783	2.0
135.04552	36.4
137.02444	8.5
137.06108	5.0
138.03247	3.2
139.04008	2.4
145.02998	3.5
147.04556	17.7
149.02466	71.5
149.06084	1.5
150.03261	13.2
151.04019	5.8
157.02931	1.4
159.04535	1.5
161.01112	3.0
161.02461	56.9
162.53850	1.5
163.04028	6.0
163.79362	1.4
165.01950	5.0
165.05591	11.9
166.02719	2.5
174.03221	2.3
175.04027	19.3
177.01843	1.9
178.02771	9.7
179.03513	22.2
181.05104	5.4
185.02463	1.6
189.01942	4.2
191.03520	3.5
192.04358	1.7
193.01427	34.5
193.05083	23.0
194.02251	14.3
194.05267	1.7
195.06566	1.6
197.04546	11.4
207.02921	2.6
207.06673	2.1
237.04073	100.0
238.04422	4.1
254.04346	1.7
269.06628	13.4
295.06088	2.9
321.04031	5.8
339.05081	3.4
370.57581	1.6
431.19180	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	431.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47166	4.6
59.01366	8.7
71.41008	6.0
72.99304	23.9
87.36864	4.6
88.04089	4.8
109.02970	12.6
121.02969	6.6
123.04568	10.0
133.02962	15.0
134.03796	6.8
135.04539	73.8
145.02904	5.3
161.02435	30.8
167.05112	4.6
179.03517	13.3
185.02480	7.9
194.03745	5.4
195.04468	5.2
196.13702	4.3
197.04570	18.2
207.04480	6.0
210.03229	5.4
211.04041	5.9
222.03162	6.5
223.04056	5.7
225.01955	4.7
225.05350	5.3
226.02696	9.6
235.03925	9.3
237.01924	7.5
238.02736	8.3
239.03497	7.6
240.04010	5.0
249.05774	4.4
251.03603	10.9
252.04182	9.3
253.04973	19.6
266.02209	16.0
267.02902	8.1
267.06726	5.0
268.03952	5.8
269.04584	8.4
279.03030	11.6
280.03680	7.0
281.04553	17.1
282.01773	4.7
293.04700	5.0
295.06204	12.5
297.04013	21.1
309.04126	18.0
311.05612	30.5
321.04095	20.6
322.04297	4.4
325.03485	39.4
326.04034	8.0
337.03500	32.8
339.05029	33.7
340.05722	5.6
341.02872	8.7
351.08728	6.4
352.02234	13.4
353.03012	40.2
354.03491	7.3
356.05273	7.9
367.04648	22.8
368.05392	46.0
369.02505	13.9
369.06244	13.1
370.02295	4.9
384.04807	65.6
385.05453	20.0
399.02176	9.6
399.07166	100.0
400.07443	11.8
426.02435	4.8
431.10083	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	431.1197
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
51.43873	0.5
57.03439	0.5
59.01384	5.0
69.03454	1.9
70.74495	0.8
71.01385	2.7
72.99323	0.5
73.02938	0.8
79.01904	1.2
83.01398	1.1
85.02969	1.0
89.02455	1.1
95.01421	0.9
97.02963	2.1
98.07491	0.5
101.02467	1.8
104.16871	0.5
107.01377	2.0
109.02952	1.1
113.02451	1.5
117.05580	1.9
123.00912	6.4
124.01679	23.4
125.02466	51.7
126.02824	1.5
135.04521	0.6
137.02466	2.2
149.99608	29.1
151.00394	2.4
161.02513	0.8
161.04504	0.7
167.03557	0.9
168.00661	60.8
169.01418	5.9
220.06885	0.5
269.17630	1.0
313.05640	2.2
331.06564	1.2
373.07797	0.8
388.65225	0.5
395.09726	0.6
413.10843	2.5
431.11969	100.0
432.12283	8.7
432.17670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12383	0.6
55.50970	0.6
59.01360	1.5
68.34035	0.6
69.03461	1.7
69.63050	2.9
71.01368	0.8
72.13211	0.6
73.02965	4.2
75.47517	0.6
79.01902	0.9
79.90488	0.6
81.03452	0.8
85.02962	0.7
95.01404	1.3
97.02969	3.5
101.02486	0.9
107.01389	1.8
107.05003	0.7
117.05592	0.9
123.00885	6.7
124.00748	0.7
124.01681	27.1
125.02460	53.0
126.02777	1.1
131.01355	0.7
135.04524	1.5
137.02435	3.0
149.02478	1.1
149.99609	31.1
151.00172	2.1
157.42690	0.6
161.02501	0.9
167.03479	1.2
168.00656	69.7
169.01328	5.0
179.03514	0.7
203.59825	0.7
224.47737	0.7
261.38516	0.7
261.51147	0.7
269.06824	1.2
313.05646	3.3
387.09259	1.2
413.11075	1.8
431.11972	100.0
432.12210	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	431.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36681	0.4
59.01167	0.3
59.01390	3.2
60.99303	1.1
61.98833	1.4
65.03958	0.3
65.60612	0.3
67.72157	0.3
71.01389	0.9
73.00254	0.3
73.02963	0.7
73.29971	0.3
81.03448	0.4
87.00909	0.4
88.98815	7.4
93.03483	0.6
108.02200	0.7
109.02985	1.1
113.02412	0.4
125.02480	1.0
133.02988	0.7
135.04518	0.8
136.01697	2.3
137.02460	100.0
138.02798	3.8
148.90977	0.5
149.99612	0.5
151.03967	0.4
161.02473	1.7
167.03473	0.5
168.00661	0.9
179.03529	0.9
190.93634	0.3
222.92426	0.6
250.92070	0.5
341.08743	0.9
430.98724	0.6
431.11954	18.9
432.12302	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	431.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.3
60.89907	0.3
71.01382	3.9
75.55971	0.2
85.02965	0.6
87.00883	0.8
89.02454	100.0
90.02792	1.5
101.02457	1.9
113.02465	1.9
119.03510	1.8
143.03531	0.6
149.04568	0.3
161.04552	0.7
179.05635	4.2
211.13298	0.3
341.10886	16.3
342.11243	1.2
396.69669	0.3
431.14258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13044	0.6
54.83950	0.7
59.01387	100.0
60.01731	1.6
61.98838	23.7
69.62920	2.4
71.01396	6.0
72.99330	1.0
73.02956	3.0
77.77924	0.5
81.04506	0.6
83.01389	0.8
85.02981	2.9
85.80350	0.6
87.00890	0.8
88.21886	0.7
89.02499	2.6
98.22739	0.8
101.02442	4.7
108.70831	0.7
113.02477	3.1
115.00453	0.6
119.03545	0.9
124.01673	1.0
125.02442	4.0
133.02962	1.1
135.04539	1.3
137.02518	0.6
149.99657	1.0
151.04111	1.0
156.45187	0.6
161.02489	4.2
161.04501	3.5
168.00713	2.0
169.01506	0.8
175.02538	2.4
176.04880	2.0
179.03537	6.2
191.07343	1.1
194.05907	5.7
208.84344	0.7
209.08212	16.7
239.05713	1.0
269.10480	2.3
285.42084	0.6
315.81165	0.7
330.89264	0.7
355.21640	0.7
431.11182	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	431.1562
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
52.47531	1.1
53.02129	1.1
55.01882	1.8
57.03445	2.5
58.00615	1.3
59.01386	100.0
61.98819	2.0
66.59367	1.3
71.01389	62.5
73.02936	5.9
83.01390	3.6
85.02959	14.8
87.00863	3.7
89.02454	73.9
95.01395	4.3
101.01795	2.5
101.02454	38.9
107.02908	1.2
113.02458	25.2
115.92049	1.4
119.03526	31.0
119.05029	32.2
120.05390	1.3
131.03522	13.9
137.02518	1.4
137.06061	6.2
143.03505	4.7
149.04567	16.4
161.04553	4.9
179.05630	9.2
191.05609	24.1
233.06702	9.1
263.76578	1.4
265.65588	1.1
299.11401	55.2
300.11722	3.5
328.85953	1.4
371.09784	1.3
431.10056	2.1
431.15622	38.6
432.16327	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	431.1562
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
55.01879	7.4
57.03444	5.3
59.01385	87.2
61.98841	19.6
69.03463	2.2
69.45370	3.2
69.45767	7.0
71.01391	100.0
72.01693	2.0
72.99312	6.2
73.02956	38.1
75.00883	2.7
83.01398	14.6
85.02953	49.5
87.00873	4.6
89.02451	22.1
92.48480	1.9
95.01398	8.0
97.02976	3.6
98.22573	3.1
99.00897	11.9
101.02459	89.4
113.02463	44.2
115.04000	2.3
119.03521	8.9
121.02957	5.8
125.02463	6.0
135.04543	11.3
143.03535	5.6
159.03012	8.8
161.02472	4.3
161.04573	47.2
179.03584	2.3
179.05588	2.3
180.75699	2.1
185.44324	1.9
263.07864	3.9
269.07666	4.3
269.10339	47.8
270.10593	3.6
299.11734	3.4
383.02554	2.0
431.15851	32.9
432.15872	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	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01386	59.8
64.26501	0.5
66.22581	0.5
67.21349	0.6
71.01391	24.1
72.99297	1.3
73.02936	0.9
80.17897	0.5
83.01401	0.9
85.02965	5.7
87.00876	0.6
89.02455	24.0
90.02814	0.7
95.01387	2.0
99.04530	20.5
100.04851	0.7
101.01811	0.8
101.02454	11.5
101.57172	0.5
107.67777	0.5
109.06617	0.5
111.04552	0.8
112.98814	0.7
113.02458	7.9
119.03505	8.0
121.06609	1.0
131.03427	0.9
133.81845	0.5
134.03725	0.6
135.04573	3.3
143.03488	2.0
143.05060	0.6
161.02420	1.3
161.04623	0.9
163.14883	1.2
179.05666	1.6
185.06044	0.8
189.12904	4.2
190.13135	0.9
197.04720	0.7
207.13933	19.1
208.14246	1.5
219.62726	0.6
227.07130	3.8
251.12909	100.0
252.13261	8.1
308.57166	0.7
379.80328	0.6
431.19263	19.5
432.19519	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01740	1.0
61.98865	1.3
69.29280	1.7
69.29686	1.2
71.01392	6.0
72.99326	1.7
73.02967	1.4
83.01407	0.9
85.02978	2.5
88.98808	0.5
89.02463	5.1
101.02462	4.0
109.02951	0.6
113.02477	2.2
117.03556	0.6
119.03562	1.5
119.05045	0.7
121.02995	1.2
123.00866	0.6
123.04572	1.5
125.02480	1.4
131.03539	2.2
135.04570	3.5
136.05356	0.5
137.02461	0.6
145.03001	1.8
149.02487	0.7
149.04596	2.5
151.04128	0.8
161.02512	2.6
163.04050	0.7
168.00679	1.2
179.03519	1.2
189.01907	1.2
191.05661	4.4
195.06697	1.5
197.04643	2.1
233.06792	2.0
237.04152	0.7
267.06525	0.5
273.95874	0.5
431.16388	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	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.9
59.01385	58.3
69.32334	4.1
71.01388	18.9
71.19202	0.6
72.99294	0.8
73.02945	2.4
78.18489	0.8
80.00362	0.8
83.01398	1.0
85.02957	4.6
87.00900	0.9
89.02454	18.7
95.01402	1.4
98.03730	0.7
98.21870	1.7
99.04530	25.5
101.02444	10.7
111.04556	1.5
113.02465	8.3
119.03516	6.7
130.55519	0.7
134.03760	0.8
135.04550	2.5
161.02458	1.0
161.04555	2.3
179.05661	1.7
189.12837	5.5
207.13924	28.3
208.14215	2.4
233.11909	1.2
251.12906	100.0
252.13229	7.8
269.13989	0.9
371.20627	0.9
372.10614	0.8
431.19235	27.5
431.24976	1.6
432.19525	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	431.2207
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.32031	0.5
69.12794	2.3
69.13193	1.0
78.95912	51.4
90.77291	0.5
96.96981	6.8
102.82062	0.4
150.98021	2.0
152.99606	100.0
153.99966	1.5
171.00674	4.7
183.86127	0.5
265.49863	0.5
277.21857	0.5
311.89420	0.5
431.22021	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56648	0.4
55.01884	0.4
59.01384	100.0
60.01712	0.8
61.22088	0.4
61.32579	0.3
69.24473	1.8
71.01385	7.0
73.02946	2.7
75.15754	0.3
83.01402	1.0
84.55317	0.4
85.02969	2.9
89.01997	0.3
89.02451	2.1
95.01409	0.7
98.22631	0.6
99.00961	0.4
99.90012	0.4
101.02464	4.5
105.71804	0.4
112.98756	0.4
113.02473	4.5
116.72047	0.3
119.03480	0.8
135.04518	0.5
147.11882	0.6
161.04564	1.8
221.34026	0.4
222.80896	0.3
227.16670	0.5
282.72528	0.3
324.93958	0.4
371.20718	5.1
389.21802	7.6
390.22516	0.5
431.22800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03448	1.0
59.01386	100.0
60.01725	1.1
70.77530	0.6
71.01388	16.5
72.99323	0.6
73.02958	6.7
81.03454	0.4
83.01405	2.6
84.57433	0.4
85.02961	8.2
87.00909	0.8
87.34980	0.4
89.02457	3.3
90.62571	0.3
90.82291	0.4
95.01417	1.3
97.02996	0.6
99.00883	1.9
101.02459	13.1
112.98799	0.7
113.02460	8.2
119.03539	1.2
121.03001	0.4
122.83968	0.4
125.02496	0.8
134.03819	0.7
135.04523	2.2
137.02522	0.5
143.03542	0.9
147.11781	1.7
159.03053	1.3
161.02505	1.1
161.04584	8.1
161.05792	0.3
175.04108	0.5
179.03574	0.6
179.05676	0.4
193.05051	0.5
197.04680	1.1
227.16698	0.4
251.16617	0.4
371.20819	3.8
389.21838	23.2
390.22177	2.4
431.16003	1.0
431.22958	1.5
440.49115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63899	0.5
55.01884	1.3
56.36051	0.5
57.03451	1.3
59.01387	100.0
60.01725	1.0
69.24342	2.9
71.01391	15.0
72.99316	1.1
73.02952	6.6
81.69891	0.5
83.01404	2.7
84.22289	0.4
85.02954	8.4
85.03409	0.6
87.00892	1.0
89.02455	3.7
92.23815	0.5
95.01437	1.3
97.03008	0.7
99.00903	1.9
101.02456	12.2
101.14887	0.5
112.98834	1.0
113.02460	6.6
119.03535	1.4
125.02463	0.9
134.03801	0.9
135.04539	2.1
136.04912	0.6
143.03520	0.9
147.11882	2.0
151.79698	0.6
159.03003	1.0
161.02521	1.1
161.04575	6.6
161.05850	0.6
179.03625	0.7
179.05721	0.9
197.04669	0.8
204.63184	0.7
209.45399	0.5
241.64153	0.6
301.62567	0.6
330.45572	0.6
357.13303	0.5
371.20569	3.7
384.30133	0.5
389.21802	19.9
390.22318	2.5
424.01718	0.5
431.23026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56648	0.4
55.01884	0.4
59.01384	100.0
60.01712	0.8
61.22088	0.4
61.32579	0.3
69.24473	1.8
71.01385	7.0
73.02946	2.7
75.15754	0.3
83.01402	1.0
84.55317	0.4
85.02969	2.9
89.01997	0.3
89.02451	2.1
95.01409	0.7
98.22631	0.6
99.00961	0.4
99.90012	0.4
101.02464	4.5
105.71804	0.4
112.98756	0.4
113.02473	4.5
116.72047	0.3
119.03480	0.8
135.04518	0.5
147.11882	0.6
161.04564	1.8
221.34026	0.4
222.80896	0.3
227.16670	0.5
282.72528	0.3
324.93958	0.4
371.20718	5.1
389.21802	7.6
390.22516	0.5
431.22800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01708	1.2
69.09613	1.8
69.10026	1.7
71.01392	5.5
72.99321	1.0
73.02961	1.3
75.16687	0.5
83.01395	0.8
85.02961	1.7
89.02446	5.0
91.85198	0.5
101.02438	3.2
112.98895	0.7
113.02450	3.0
119.03492	2.7
133.02977	1.2
134.03745	1.2
135.04561	5.2
136.04958	0.7
137.02473	0.5
143.03561	0.5
161.02481	5.8
161.04578	2.1
169.07468	0.5
175.28848	0.5
179.03532	2.5
179.05675	1.6
196.14165	0.5
197.04646	1.8
204.28853	0.5
341.06976	0.6
359.07913	0.6
431.15558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01718	1.2
69.23961	3.0
71.01390	5.5
72.99328	1.3
73.02967	2.3
76.96027	0.4
85.02974	2.2
87.00890	0.6
87.61654	0.5
89.02462	6.0
95.01408	0.6
101.02460	5.2
111.00926	0.6
112.98815	3.7
113.02477	3.4
113.99205	0.6
119.03510	2.4
123.04549	1.0
133.02997	1.1
134.03757	3.8
135.04572	7.5
136.04880	1.6
143.03481	0.6
160.01698	0.6
161.02490	3.2
161.04552	2.3
175.04147	0.8
179.03600	2.2
179.05630	1.2
193.05110	2.4
194.05519	0.6
197.04596	0.9
205.56447	0.5
227.03665	0.7
227.16628	0.9
242.09886	0.5
251.13025	1.2
251.39211	0.5
284.03308	0.7
309.23779	0.5
348.11298	0.5
371.20840	2.8
385.48474	0.6
389.21979	1.4
431.10156	0.7
439.09387	0.6
459.16071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83906	0.6
55.83886	0.6
60.01328	0.6
69.21860	3.0
69.51111	0.6
70.81806	0.6
102.67673	0.7
117.03481	18.9
118.04290	0.9
119.05046	25.6
121.02964	1.0
145.02975	100.0
146.03322	5.0
152.99620	2.1
163.04030	19.9
164.04370	1.0
173.85329	0.6
210.86034	0.5
220.94229	0.6
267.19702	1.6
279.23257	0.5
285.20786	7.4
414.16156	0.7
431.24442	24.9
432.24802	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	431.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17981	0.7
116.92865	1.2
117.03482	19.0
119.05042	27.9
120.05418	1.5
131.84229	0.8
145.02971	100.0
146.03296	4.6
163.04042	22.0
267.19708	1.5
269.21524	0.8
285.20737	8.1
359.72617	0.8
407.48264	0.9
431.18521	1.5
431.24448	26.4
432.24774	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	432.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53050	0.3
59.01384	14.3
60.01719	1.3
61.98836	100.0
63.68332	0.3
64.28101	0.3
70.99350	0.6
71.01413	1.8
72.99303	0.4
73.02958	0.4
75.35279	0.3
81.81224	0.3
85.02965	0.6
87.00897	1.2
89.02468	0.5
94.98105	1.0
101.02486	0.9
113.02476	0.4
115.00384	2.7
123.04524	0.3
127.00426	0.3
133.02991	0.6
135.04535	1.4
139.36052	0.3
147.04463	0.3
151.04022	0.4
161.02487	1.2
163.04089	0.3
175.02501	9.7
178.07703	0.4
179.03516	0.8
194.05724	0.4
195.06233	0.5
197.04469	0.4
209.08282	1.2
210.08595	1.2
212.20030	0.3
385.34720	0.3
432.12177	0.5
445.08328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	1.6
59.01386	100.0
71.01389	30.0
72.99311	4.0
73.02960	11.3
83.01380	4.8
83.74474	1.7
85.02962	9.6
89.02455	13.7
90.52470	2.1
95.01386	3.1
101.02448	22.8
102.68854	1.8
104.00705	2.3
109.02982	3.1
113.02433	11.9
119.03522	7.0
119.05003	2.0
133.03006	3.2
135.04544	11.1
161.02472	11.6
161.04547	12.8
165.05676	2.3
174.77623	1.9
178.30925	1.8
179.03407	3.7
253.14505	9.8
299.98892	2.4
389.21802	35.4
390.22168	3.5
433.20715	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	432.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.35643	25.4
71.01395	30.9
72.99308	15.1
73.02940	12.3
85.02945	9.2
85.34452	5.2
89.02459	17.8
98.21887	10.2
98.63107	4.9
101.02443	22.7
109.02950	8.3
113.02471	18.5
119.03524	6.8
121.02980	7.2
133.02968	22.6
134.03183	7.1
135.04568	26.2
136.04828	6.5
149.02437	11.4
150.02885	6.9
161.02473	63.5
161.04564	14.6
161.06075	5.4
162.02794	21.2
179.03435	12.7
197.04518	5.7
217.24196	6.4
237.04164	11.1
238.04430	26.4
248.53329	6.9
277.24503	6.0
350.56512	7.8
389.21796	47.7
407.35144	5.4
430.81393	6.3
433.20639	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	433.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62973	1.9
59.01389	87.9
60.99326	14.5
69.15122	4.3
69.15543	7.7
71.01395	6.4
71.01783	1.6
72.99311	11.3
73.02970	1.9
76.02788	1.7
84.65520	1.9
88.98818	100.0
89.02462	4.7
95.01365	1.9
101.02448	3.9
109.02962	2.7
113.02451	2.7
116.68467	1.9
119.03529	2.9
119.05074	4.3
123.04547	3.2
130.96375	1.6
133.03018	12.9
134.03749	2.5
135.04565	21.3
138.03220	2.8
145.80484	2.0
161.02475	45.8
161.04486	2.7
162.02901	2.5
163.04054	3.7
163.99400	2.6
165.00130	3.2
175.04044	3.9
179.01836	3.7
179.03543	7.4
181.05116	9.5
191.98924	3.0
193.05017	3.1
197.04507	2.9
207.01294	6.0
209.02791	3.3
235.00650	6.9
253.01736	6.3
255.03143	2.1
311.06653	2.2
343.08234	5.7
403.14307	4.0
433.15308	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	433.0781
Annotation	Avicularin
Peak:m/z	Relative Intensity
58.99198	1.8
59.01383	46.9
66.61454	1.7
72.99316	76.7
75.00841	1.5
91.05545	43.8
107.05052	5.2
108.02242	2.1
109.02968	5.9
113.02409	2.4
116.92854	3.4
119.05029	34.2
119.05817	2.7
121.02986	4.0
122.03759	1.7
123.04534	5.4
129.03471	3.6
133.02954	9.5
134.03767	3.4
135.04538	100.0
136.04875	3.5
137.02473	4.1
137.06073	15.8
145.03017	4.6
146.03781	4.0
147.04539	62.7
148.04874	3.6
149.02412	2.4
150.03218	7.8
151.04048	6.0
153.05603	2.6
161.02472	47.6
162.02884	4.1
163.04016	31.8
164.04570	2.5
165.05583	66.6
171.54237	2.0
173.02495	2.1
177.01961	2.5
179.03525	39.5
180.03903	2.5
191.03535	46.7
192.03954	2.4
197.04535	10.0
207.02962	4.6
209.04544	41.2
210.04865	3.9
225.04056	5.5
227.05618	2.9
235.02475	8.5
237.65984	1.9
253.03549	32.7
254.04068	1.8
267.06723	5.1
271.04541	26.9
281.04712	2.3
283.09833	6.1
289.16714	3.8
297.07629	3.6
299.99060	4.6
311.05768	2.1
359.07935	4.7
371.07712	27.4
372.08054	2.8
415.06821	3.7
432.29715	1.7
433.07849	76.3
434.02542	1.8
434.07794	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	433.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15673	1.7
53.74744	1.5
72.99288	2.7
77.17991	1.6
96.95956	1.9
97.87073	1.8
106.22916	1.7
109.02959	3.9
123.00892	2.9
123.04478	1.8
124.01678	100.0
125.01956	2.7
131.01395	1.9
133.03011	3.2
135.04509	5.5
137.02505	2.6
139.04027	53.6
140.04420	2.4
148.01717	1.8
149.02409	2.6
159.00961	2.2
160.53261	1.8
161.02660	1.9
163.00386	2.9
179.03491	3.2
187.00397	2.0
188.01273	1.8
191.03545	5.1
201.50093	1.9
211.04076	2.6
218.93736	1.8
219.03050	10.5
220.03708	6.4
223.04053	2.9
239.03482	4.5
247.02496	30.6
248.03230	15.4
251.03339	3.2
263.05603	10.8
267.03012	8.1
268.03699	2.9
273.04187	2.4
278.04282	2.6
279.05121	7.8
280.06067	2.3
293.06668	6.5
294.07401	24.0
295.02597	8.1
295.08118	4.3
297.04031	2.2
298.04773	2.5
299.05600	5.5
321.04025	2.5
325.03412	1.9
326.04294	6.0
327.05142	17.7
328.05502	2.2
339.05011	2.9
343.04462	2.1
354.03754	9.4
355.04654	9.7
355.99222	2.0
356.05899	1.9
369.06259	4.2
371.04059	18.4
371.08514	3.1
386.06299	10.5
387.06790	2.1
401.08813	18.5
418.09204	2.2
433.11520	39.2
433.24042	3.2
434.11975	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96260	0.9
59.01375	1.0
59.63454	1.1
61.98847	1.2
72.99335	1.2
75.84398	1.0
79.45959	0.8
97.68746	1.1
109.02947	2.5
112.40803	1.1
119.01376	1.3
123.00905	2.3
124.01678	100.0
125.02017	2.6
131.01413	1.2
132.02126	1.4
133.02959	1.4
135.04521	3.8
139.04033	49.5
140.04376	2.0
147.00876	1.3
148.01743	1.2
149.02431	1.4
159.00887	1.7
160.01633	1.2
161.02432	1.8
163.00372	3.9
167.03432	1.5
177.01971	2.2
179.03531	3.0
183.04474	1.2
184.64824	0.9
187.00330	1.6
188.01160	2.7
189.01907	2.0
191.03494	4.1
195.04576	1.9
203.03496	1.8
206.36058	1.1
207.03018	1.6
211.04019	3.7
212.04796	1.5
214.02786	1.1
215.03514	1.2
216.00658	1.5
219.02994	9.6
220.03751	7.8
223.04027	2.3
227.03471	1.4
229.05246	1.2
231.03023	2.2
232.03738	1.3
239.03557	5.4
240.04236	3.1
246.01645	1.7
247.02498	28.5
248.03218	16.0
249.03824	1.1
251.03525	2.8
253.04765	1.2
263.05649	11.6
266.02310	1.8
267.02972	9.3
268.03772	4.4
269.04636	1.2
271.06128	1.7
273.03998	1.3
278.04401	4.5
279.05185	10.3
280.05765	2.5
282.05609	1.2
283.05945	1.3
293.06848	4.7
294.07455	22.3
295.02518	11.6
295.07907	2.5
296.02896	1.8
298.04767	2.6
299.05621	5.6
299.99115	1.2
309.03815	1.8
311.01886	1.2
311.05286	1.7
326.04532	5.8
327.05118	20.9
328.05377	1.5
339.01328	1.6
339.05008	1.6
341.06509	1.2
342.07532	1.4
343.04480	4.3
354.03720	8.8
355.04547	13.0
356.05020	2.1
358.06229	1.3
369.06207	6.5
370.06671	2.9
371.03995	21.9
371.08334	1.3
372.04532	2.3
386.06433	10.8
387.06857	2.5
401.08755	21.5
402.09222	2.2
418.09116	2.7
433.05215	2.1
433.11389	39.7
433.17667	1.3
434.11426	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	433.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25507	1.1
55.01872	2.0
59.01386	23.1
69.92144	2.6
69.92477	1.1
71.01391	9.4
72.99309	2.8
73.02939	3.5
80.60153	1.1
81.03483	1.8
83.01382	2.6
83.09863	1.1
85.02944	3.6
86.04108	1.3
87.00888	2.9
89.02454	8.4
93.03468	1.4
95.01363	1.5
98.21951	1.8
99.00909	1.5
101.02463	10.6
109.02957	4.3
111.00880	1.9
113.02449	5.0
119.03470	1.9
121.02966	24.5
123.00935	7.4
123.04511	3.3
127.00332	1.7
133.02963	2.7
135.04550	9.7
136.98795	2.2
137.02473	12.5
138.03259	6.4
139.00389	2.7
139.04031	1.7
143.03462	1.2
151.04018	6.6
153.05595	25.8
155.03523	2.6
161.02448	4.0
161.04655	2.2
166.99844	2.9
179.03497	5.0
181.01477	4.7
182.02197	6.8
183.02936	4.2
189.31795	1.3
197.04573	100.0
198.04906	4.2
201.01747	2.9
225.04062	2.0
253.09351	3.0
259.02295	2.4
281.06680	2.3
299.98990	1.5
335.05408	1.6
341.08743	1.5
418.11325	1.4
433.08481	2.3
433.13562	60.9
434.13760	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	433.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95857	0.6
57.86021	0.6
59.01387	15.5
61.98818	0.9
71.01393	8.8
73.02947	1.6
85.02967	2.3
88.75399	0.6
89.02454	6.4
92.02699	1.6
92.72628	0.6
93.03468	42.4
94.03794	1.3
95.01376	1.1
101.02444	5.6
105.40888	0.6
107.05048	0.7
113.02474	3.4
119.03516	1.8
119.26558	0.6
121.02928	1.3
135.04535	1.5
136.01686	7.2
137.02458	100.0
138.02797	3.1
151.04033	4.2
151.06125	4.7
163.03879	0.6
179.03514	32.3
180.03886	1.3
209.04536	5.5
239.05638	24.3
240.06027	1.0
281.06720	4.8
281.44421	0.6
299.07770	4.1
410.42804	0.8
433.13528	88.8
434.13953	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	433.1354
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
56.10456	0.2
57.72242	0.2
59.01381	4.3
69.03461	0.5
69.27091	0.8
69.27500	0.5
71.01389	4.1
73.02951	0.7
76.77167	0.2
85.02966	0.5
89.02446	5.6
92.18866	0.2
93.03464	6.2
97.02966	0.5
99.00887	0.9
101.02465	1.0
107.01461	0.2
115.04027	0.4
121.02966	9.6
122.03350	0.3
123.00874	0.3
123.04567	0.3
124.01664	0.8
125.02448	2.8
131.03505	0.9
134.04736	0.7
137.02446	0.4
139.04024	100.0
140.04362	4.0
149.04532	1.1
161.04539	0.3
178.53731	0.3
191.05614	1.1
192.95894	0.3
233.06693	2.8
244.01572	0.2
293.08835	5.1
294.08969	0.4
353.73419	0.2
423.69305	0.3
433.13504	3.3
434.13895	0.4
457.52069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71684	0.8
56.32904	0.9
59.01390	17.6
61.98500	0.8
69.03474	1.2
69.74551	0.8
71.01388	15.5
73.02951	1.5
77.68897	0.8
80.81366	0.9
81.03436	0.8
85.02972	1.6
88.89277	0.7
89.02454	24.7
93.03475	13.1
97.02957	2.4
99.00896	2.9
101.02435	4.8
109.02973	1.5
113.02479	1.5
115.04036	2.5
121.02971	35.4
122.03359	1.3
123.04545	7.6
125.02464	13.0
131.03531	3.1
137.02472	2.3
139.04028	100.0
140.04375	4.0
143.03496	1.2
147.11949	0.8
149.04601	5.1
191.05641	3.6
233.06703	14.3
293.08832	25.5
294.09091	1.1
415.12546	6.0
416.12540	1.1
433.13510	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	433.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.91895	1.2
71.01401	2.0
71.41286	1.2
72.99325	1.8
85.02969	1.3
91.05554	1.3
94.98080	1.9
113.02479	1.6
119.05087	1.3
133.02998	1.5
135.04544	8.0
147.04568	2.3
151.04071	1.7
153.05582	1.5
161.02440	2.6
163.60902	1.2
165.05637	2.6
179.03564	2.4
181.05138	3.1
188.59041	1.3
191.03592	2.5
196.07437	5.4
197.04576	4.7
197.06169	1.1
203.45682	1.2
209.04549	1.2
211.09752	6.9
224.35870	1.0
245.60945	1.0
389.65875	1.1
390.90942	1.1
433.08136	2.1
433.13443	2.9
448.96719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16612	11.0
56.54545	8.7
57.03449	12.4
59.01390	70.1
71.01374	13.5
72.99329	39.8
89.02489	10.0
91.41145	10.0
99.04500	16.0
100.58714	9.3
101.02451	15.4
111.98058	9.2
123.04558	12.2
133.02992	53.7
135.04529	98.6
136.04762	9.4
149.02516	14.4
161.02460	100.0
162.02856	16.5
179.03503	33.8
180.03885	10.3
197.04607	23.0
211.46574	8.9
267.06677	16.8
299.99011	12.2
433.19766	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	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49040	0.6
59.01384	100.0
60.01715	0.8
61.98826	0.6
69.31525	2.2
70.80114	0.6
71.01395	1.7
72.99322	1.3
73.02947	0.8
73.90958	0.6
85.02953	0.6
89.55737	0.7
89.60976	0.5
94.98090	6.2
94.98627	0.7
96.96025	0.6
101.02486	1.3
129.35519	0.6
133.02988	1.0
135.04517	3.2
147.04526	1.2
161.02515	1.1
161.04649	0.7
165.05629	1.0
191.03479	0.7
211.09789	1.2
213.87460	0.6
331.17566	0.6
356.92889	0.5
373.15161	0.9
397.17343	1.0
403.71884	0.6
418.17413	0.7
422.39618	0.7
433.08441	1.0
433.20911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01731	1.3
69.15302	2.0
69.15711	1.2
71.01387	3.2
73.02977	2.3
75.97179	0.5
85.02979	2.1
85.54759	0.5
89.02476	0.7
95.01403	0.6
101.02469	3.4
108.02201	1.9
109.02957	12.2
113.02474	1.6
135.04506	2.7
159.03119	0.5
161.02477	2.2
161.04543	2.3
179.03630	0.8
185.06088	4.8
229.05069	12.0
229.07149	0.8
230.05484	0.8
243.06654	2.2
271.06277	1.0
313.16711	2.0
331.17670	6.3
332.18021	0.9
373.18683	2.5
433.24417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.5
59.01384	100.0
60.01712	1.3
61.30923	0.7
66.30799	0.5
66.71762	0.5
67.10792	0.4
71.01382	5.7
72.25416	0.5
72.99326	2.0
73.02962	1.8
83.01407	0.9
85.02980	1.8
87.00895	0.8
89.02470	2.3
93.03502	0.6
95.01400	0.6
99.00916	0.6
101.02438	4.2
106.60104	0.6
109.03006	1.2
113.02457	2.6
113.19002	0.5
117.39953	0.5
119.03563	0.9
131.03542	0.7
133.03014	2.6
134.03853	0.6
135.04558	8.3
137.02498	0.6
149.02534	0.8
161.02452	8.1
161.04526	2.8
179.03503	3.7
187.47859	0.5
197.04669	2.5
209.12030	0.6
221.06721	0.8
271.13394	0.9
331.17566	4.7
331.21078	0.5
336.39368	0.6
336.43506	0.5
347.84784	0.6
375.20090	0.6
433.24707	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	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
58.03785	1.6
59.01385	91.2
70.55521	2.9
71.01393	11.7
72.99325	3.7
73.02961	3.4
83.01400	2.0
85.02958	4.8
93.03523	1.6
99.04530	90.0
100.04869	2.4
101.02452	21.6
102.43304	1.7
113.02469	4.5
125.02469	36.0
126.13993	1.5
133.03032	3.7
135.04530	15.9
161.02473	11.2
161.04576	5.1
162.02887	2.7
179.03549	4.4
197.04524	2.6
267.06802	1.8
289.16592	12.5
299.99200	2.1
300.99866	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48496	0.7
55.01893	0.7
55.46643	0.6
57.03440	0.7
59.01385	100.0
59.67157	0.7
60.01732	1.4
66.03560	0.6
71.01380	4.9
71.34949	0.6
72.99336	1.6
73.02956	2.6
85.02968	1.9
89.02468	1.9
101.02460	4.2
105.48662	0.6
113.02493	2.6
123.04560	1.1
133.02988	1.8
135.04530	5.2
161.02455	4.3
161.04558	1.6
166.36234	0.7
179.03600	2.0
197.04601	1.0
209.15567	1.3
229.08826	0.7
253.14543	2.1
261.46002	0.7
299.99307	1.8
310.96579	0.7
313.16574	1.0
331.17651	5.9
332.18066	0.9
373.18790	2.3
458.88852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88554	0.2
58.77459	0.1
59.01379	0.9
61.50965	0.2
64.35497	0.2
69.69351	0.4
69.69739	0.3
71.01390	0.9
78.04128	0.2
85.02968	0.3
89.02462	0.6
101.02465	0.6
104.89407	0.2
107.03312	0.2
113.02516	0.4
157.06601	0.2
161.04602	0.6
168.23320	0.2
197.09692	0.4
202.09943	0.2
215.14429	0.5
215.18095	0.5
225.12968	0.2
225.16574	0.6
227.14465	0.6
229.15970	1.7
238.13629	0.4
241.12335	0.5
241.16003	3.7
242.16443	0.3
243.13702	0.4
243.17567	13.2
244.17958	1.4
251.14403	0.4
253.16016	6.6
254.16402	0.6
255.13942	0.3
256.14819	0.3
269.15485	0.7
270.15814	0.5
271.17062	100.0
272.17395	9.3
300.99936	0.2
313.18356	0.2
387.49973	0.2
433.22369	4.6
434.22678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2365
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01381	0.6
61.23008	0.5
65.58377	0.5
78.95915	56.8
96.40842	0.5
96.96973	6.2
130.94881	0.6
135.04514	0.5
139.84506	0.5
150.98035	1.9
152.99611	100.0
153.99950	0.8
171.00658	3.8
171.38278	0.5
186.95705	0.8
201.02510	0.6
234.97662	0.5
239.08983	0.6
265.21756	7.7
266.21933	0.6
299.99225	3.6
300.99734	1.1
333.59091	0.5
348.17886	0.5
433.03888	3.1
433.23770	6.6
434.24274	0.7
437.76804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2364
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
69.16555	11.0
78.95914	53.0
92.86617	1.6
96.96971	5.9
112.92825	2.0
135.04579	2.8
145.23372	1.9
150.98055	2.6
152.99608	100.0
171.00677	5.5
172.74196	1.8
217.17464	1.8
226.18732	1.8
299.99176	6.8
300.99832	7.4
319.14047	2.1
433.04163	8.2
433.23642	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	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.9
57.03456	2.9
58.00597	0.9
59.01384	100.0
60.01719	1.4
66.72417	0.7
67.05536	1.1
69.75148	0.6
71.01387	54.3
71.05047	0.8
72.01730	0.9
72.99317	1.9
73.02950	7.1
75.00871	0.9
81.03455	0.8
83.01411	4.2
83.05032	10.3
85.02960	14.4
87.00857	2.2
87.04539	4.3
89.02453	50.9
95.01403	4.2
95.08645	1.5
97.02923	1.0
99.00852	2.0
99.04500	1.2
101.02452	36.4
101.06062	1.0
102.65551	0.8
107.08660	1.5
109.02906	1.3
109.06530	0.9
113.02462	22.3
119.03514	23.8
123.08170	4.1
125.02345	1.1
127.03925	0.9
131.03421	1.9
133.02864	0.9
133.92711	0.7
135.04530	6.8
143.03558	4.5
149.04422	1.3
153.01831	1.5
159.02817	2.1
159.10289	3.4
161.02376	1.1
161.04561	14.7
161.13213	1.2
179.05615	7.3
184.88362	0.7
191.14243	0.8
197.04366	1.2
201.14796	1.3
206.93854	0.6
206.96152	0.7
253.13997	13.2
254.14391	1.1
271.18591	3.8
297.05652	1.2
313.06555	1.3
321.14743	3.7
345.18512	1.5
363.19244	3.1
433.10098	1.5
433.19455	26.4
433.23581	7.1
433.29611	2.1
434.19604	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	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.03451	3.1
59.01385	100.0
60.01734	1.8
61.73991	0.6
62.12940	0.7
69.32700	3.5
71.01389	44.5
72.01753	1.0
72.99305	0.8
73.02952	5.9
75.00906	0.9
83.01421	3.1
85.02957	14.1
87.00930	2.7
87.04531	4.1
89.02454	35.8
95.01396	3.7
98.21908	1.7
99.00917	1.9
101.02457	29.4
102.02801	1.0
113.02460	17.9
114.02865	0.7
119.03519	17.7
119.04980	1.2
125.06176	0.7
131.03558	1.7
135.04561	2.3
143.03513	3.3
149.04575	1.5
159.03065	2.1
159.10283	4.4
161.02562	0.9
161.04579	12.4
161.05864	1.0
179.05640	5.7
183.13852	1.0
196.91721	0.6
201.15051	1.4
253.14587	2.6
271.06268	1.5
271.19232	4.7
296.82312	0.7
321.15506	4.6
322.16376	0.7
345.19354	2.4
363.20322	4.1
373.13260	0.8
387.20380	1.1
433.24683	27.3
434.25159	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	433.26
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
65.69383	0.4
66.66042	0.4
95.36765	0.4
98.21825	0.9
100.42932	0.4
117.03486	17.3
118.04321	0.9
119.05045	25.4
120.05370	1.1
121.02940	1.4
123.04532	0.5
133.03001	0.4
145.02971	100.0
146.03313	4.3
163.04033	17.1
163.05399	0.8
164.04408	1.0
192.66191	0.4
192.95882	0.7
252.95973	0.4
269.21301	1.4
287.22327	8.7
288.22528	0.5
299.99249	1.0
300.99628	0.8
415.24878	0.8
433.03860	0.5
433.25983	32.6
434.26318	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	433.26
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
54.12189	0.8
54.81408	0.8
61.77950	0.8
70.76638	1.5
84.56319	0.8
85.54874	0.9
117.03481	16.4
119.05034	23.7
120.05393	1.0
121.02936	1.5
130.50204	0.9
135.04517	2.7
135.44720	0.9
144.22984	0.9
145.02968	100.0
146.03334	4.1
163.04018	15.5
164.04352	1.0
183.14250	1.0
188.01286	1.0
208.96931	1.4
269.21240	1.1
287.22241	7.3
299.99060	3.3
300.99811	3.9
433.03787	2.2
433.25943	32.8
434.26477	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	434.197
Annotation	Cryogenine
Peak:m/z	Relative Intensity
56.83561	1.4
58.02987	16.5
59.01385	17.3
60.01689	1.8
66.03479	2.1
71.01410	3.1
72.00912	2.0
74.02480	25.9
81.04579	1.6
82.02979	4.8
82.04760	1.5
84.04547	1.6
85.04112	1.5
86.02493	11.9
86.06178	2.5
87.05629	5.3
96.04546	2.2
97.04087	3.8
98.22701	3.1
99.05651	24.9
101.02421	2.9
101.07205	6.4
102.05597	6.1
108.02169	1.7
109.04089	6.4
109.07725	2.8
112.04063	3.4
123.05658	3.8
125.03560	3.1
126.04372	2.6
127.05114	4.6
128.03557	71.4
133.03001	1.6
135.04550	4.1
135.05666	10.8
137.07208	2.1
141.06721	2.8
143.04643	100.0
144.04964	1.7
145.02974	3.3
145.06166	1.9
146.04657	11.9
153.06694	5.6
161.02480	2.4
161.10072	14.5
166.09863	3.4
167.04616	5.1
167.08318	7.8
170.03363	3.4
171.04132	3.8
179.04666	24.9
181.06166	2.8
185.05724	4.0
192.07805	2.8
197.05650	5.4
210.08853	24.1
228.09935	2.5
229.13187	1.6
251.54826	1.7
254.07831	52.5
255.08151	2.7
265.48209	1.5
272.08911	56.8
273.09338	3.3
279.26895	1.5
283.02792	1.6
305.15509	6.4
346.91217	1.6
350.46890	1.6
366.71326	1.7
416.18680	12.2
434.19699	62.5
435.09250	1.8
435.19763	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	434.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32270	19.2
61.98841	32.2
63.37458	20.4
69.99955	41.3
70.00304	23.5
98.22551	22.9
121.02941	44.7
131.84396	20.3
182.12819	22.2
197.06108	23.8
304.73172	24.4
391.29654	100.0
434.09689	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	435.0936
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
57.03446	1.7
59.01384	8.4
65.05186	0.5
67.63981	0.5
71.01393	10.2
71.05043	0.5
71.40848	0.5
72.99300	1.3
73.02937	2.8
81.03484	1.2
83.01392	1.5
85.02956	4.6
87.00915	0.7
89.02451	1.6
92.02689	1.5
93.02875	1.1
93.03468	16.9
95.01401	1.6
96.99351	0.8
97.02956	0.9
99.00877	0.8
99.04508	0.8
100.93360	1.3
101.02447	5.8
108.02187	64.9
109.02975	41.2
110.03332	1.1
112.98837	1.0
113.02459	3.8
115.04008	0.8
115.92036	0.9
116.92879	5.5
119.03544	0.7
119.05063	1.8
121.02947	2.0
123.00863	1.2
123.04531	1.3
124.71034	0.7
125.02467	1.5
125.37344	0.5
133.02971	2.1
134.03738	1.6
135.00853	0.6
135.04547	6.9
136.01677	2.0
137.02458	26.0
138.02779	0.8
149.02405	1.0
151.04015	1.0
152.01169	79.9
153.01965	22.5
153.03088	0.5
154.02359	0.9
160.01669	1.0
161.02454	4.0
163.04048	1.5
164.01186	0.6
165.01944	1.7
175.03983	1.1
179.03496	3.1
195.06610	0.7
197.04582	0.7
203.03467	0.8
221.04561	0.9
227.03403	0.6
245.05771	0.8
251.05608	0.7
255.06476	0.6
255.16037	5.7
267.03061	1.0
277.03516	1.0
281.06662	8.7
283.06232	0.7
284.03128	0.7
285.04221	0.7
304.06018	1.3
315.07254	11.7
316.07611	0.9
321.68948	0.6
347.17203	1.9
375.69806	0.6
391.10550	2.6
399.12888	0.8
435.09381	100.0
435.22137	9.3
436.09756	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98830	3.2
71.01389	1.0
81.03465	1.0
85.02943	1.0
93.03469	65.2
94.03802	1.5
102.44936	0.6
108.02184	60.9
109.02977	29.8
113.02479	0.7
125.02434	0.7
133.03011	0.8
135.00885	0.6
135.04556	1.5
137.02463	100.0
138.02818	3.6
151.04030	1.4
152.01175	86.7
153.01965	35.3
154.02238	1.1
161.02467	1.0
163.04007	1.5
165.01967	1.3
179.03448	1.0
183.82025	0.6
195.02995	0.7
197.26678	0.5
297.06192	23.6
298.06525	1.3
315.07257	19.3
316.07553	1.7
349.34335	0.7
424.73465	0.6
435.09369	89.5
436.09668	10.6
459.36746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0936
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
56.82762	0.6
57.01691	0.7
59.01380	2.7
67.62417	0.7
69.66644	2.8
77.57980	0.6
90.22862	0.6
93.03471	56.9
94.03796	1.1
108.02184	10.7
109.02965	70.2
110.03310	2.7
123.04514	1.0
125.02439	0.7
126.78133	0.7
135.04527	1.0
137.02463	100.0
138.02792	3.8
149.50049	0.7
151.04018	0.9
152.01166	13.0
153.01958	83.6
154.02277	3.2
297.06189	8.5
315.07251	21.7
316.07477	1.4
351.82321	0.7
435.09363	72.2
436.09796	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	435.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07322	0.3
55.91251	0.3
59.01374	0.9
63.07931	0.3
71.01382	0.7
72.99332	0.9
81.03480	0.3
87.85979	0.3
93.03467	4.5
96.96027	0.9
101.02460	0.6
108.02171	2.9
109.02962	79.1
110.03307	2.7
113.02489	0.4
120.91295	0.3
123.04536	0.5
135.04521	2.4
137.02460	11.6
138.02814	0.3
152.01161	1.2
153.01952	100.0
154.02289	3.8
161.02444	0.5
168.96529	0.3
179.03542	0.5
188.69453	0.3
196.06549	0.4
197.04686	0.4
253.90199	0.4
281.06702	5.7
297.06207	1.0
299.07797	0.8
309.05991	0.5
315.07315	4.0
321.03882	0.4
357.13629	0.5
391.10254	0.4
435.09305	11.7
436.09653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.13
Annotation	Monnieraside III
Peak:m/z	Relative Intensity
51.14130	0.5
53.17166	0.5
55.01897	0.5
57.03467	0.8
59.01384	9.0
59.50218	0.5
60.01726	0.8
70.24095	0.5
71.01389	9.5
71.01779	0.6
72.87605	0.4
73.02959	1.9
83.01389	1.8
85.02943	3.3
89.02428	1.8
92.02705	1.6
93.02869	1.0
93.03466	21.2
95.01402	0.9
95.05016	1.5
96.99332	0.8
99.00898	0.5
101.02442	6.6
108.02177	0.5
113.02444	2.6
115.03992	0.5
116.92863	0.6
121.02953	1.1
122.03727	1.4
123.04538	78.3
124.04899	2.7
125.02478	0.6
125.39632	0.6
133.97864	0.6
135.04547	2.5
136.01651	1.9
137.02452	44.5
138.02806	1.0
147.04547	0.9
151.00575	0.6
151.03963	1.2
153.05589	64.9
154.05933	2.3
161.02473	0.7
166.02730	2.1
179.03557	1.5
181.05099	2.2
273.17130	0.8
281.06683	100.0
282.07062	5.7
315.10876	1.1
398.86130	0.5
412.56064	0.5
435.12994	7.3
435.22134	4.2
436.13229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50293	4.4
59.01364	7.8
69.64885	10.0
69.65282	10.3
88.28951	4.0
111.37960	3.7
135.04593	5.1
138.77739	4.4
147.76657	4.9
149.02467	33.2
150.03206	55.2
164.04912	22.3
165.05585	100.0
180.04305	5.0
186.27753	4.3
188.23514	4.4
193.36342	4.2
195.06635	30.9
310.91354	4.4
327.10773	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	435.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	51.0
60.01706	1.1
60.60584	0.4
67.00117	0.4
70.27108	0.7
110.41008	0.5
113.11969	0.4
121.02924	0.6
122.03756	3.5
123.04123	0.5
139.14024	0.4
142.31244	0.4
150.03242	36.7
151.03583	1.2
162.02380	0.6
165.05583	100.0
166.05939	4.4
213.07706	9.6
232.02933	0.6
277.15833	0.5
313.22086	0.6
329.85468	0.5
432.37842	0.6
436.02335	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	95.8
58.03780	1.3
59.01386	100.0
60.01724	1.2
71.01385	2.8
72.99297	1.2
73.02952	1.5
81.03470	4.5
83.01382	1.3
85.02951	1.4
94.92321	0.6
97.02953	0.7
99.04530	80.7
100.04854	1.9
101.02457	14.8
107.01359	0.8
109.03015	0.8
113.02478	1.7
117.03418	0.9
119.05016	2.6
121.02992	0.8
124.01665	1.3
125.02457	29.1
126.02755	0.8
135.04480	2.4
137.02438	2.1
139.04028	1.7
143.03458	0.9
145.02972	4.3
149.99547	1.5
161.02437	1.7
161.04559	1.3
161.06046	1.5
163.00327	0.6
163.04039	1.6
165.01961	10.1
168.00600	3.1
179.03432	1.4
205.05069	1.7
224.08354	1.9
235.05960	1.1
239.10712	1.7
239.91129	0.8
249.13324	2.2
265.07236	3.5
291.14273	1.2
307.07965	1.0
375.19720	0.9
393.24838	0.8
429.09851	1.9
435.09268	3.6
435.21915	2.0
436.22513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01385	86.3
66.25572	1.3
69.30087	3.3
69.30494	3.1
71.01379	6.3
73.02950	4.4
78.31922	1.1
81.03466	3.0
83.01392	2.6
85.02969	2.7
85.94057	1.2
93.29893	1.4
97.02981	1.1
99.00928	1.4
99.04530	85.4
100.04865	2.2
101.02450	19.4
103.04551	1.3
113.02446	3.3
120.40371	1.0
122.17553	1.1
125.02461	31.4
126.66274	1.0
133.02956	1.3
135.04477	1.9
143.03513	1.9
161.04532	2.5
178.86035	1.1
179.03561	1.4
223.50511	1.1
291.18152	13.5
303.93167	1.1
368.97101	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
57.32773	0.9
58.03768	1.3
59.01386	79.2
61.99983	0.9
62.39952	1.1
66.00951	1.0
71.01387	8.3
73.02950	4.2
76.68902	0.9
77.12196	1.0
81.03450	1.7
83.01385	2.4
85.02962	3.7
95.01375	1.1
99.00898	1.8
99.04529	75.5
100.04848	2.0
101.02449	22.6
113.02466	3.6
125.02470	29.1
126.02853	1.0
135.04555	2.9
143.03532	1.7
161.02423	1.8
161.04568	2.6
179.03441	1.3
228.78043	1.0
291.18106	13.3
292.18185	1.2
330.50104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34333	0.6
54.13994	0.7
59.01389	5.8
61.98832	0.9
69.03461	2.8
72.99313	0.9
78.03505	0.6
79.01886	1.3
81.03446	1.2
83.01376	1.8
84.40250	0.7
96.95991	0.8
97.02950	3.8
107.01433	1.7
108.02219	1.0
121.02933	1.3
122.02496	15.0
123.00268	0.7
123.00922	7.7
123.04531	1.3
124.01685	18.0
125.02464	58.8
126.02779	2.7
133.02982	1.3
134.03703	1.2
135.04550	16.6
136.04890	1.6
137.02470	6.4
139.04018	1.3
149.02406	1.5
149.99600	35.8
151.00342	2.7
151.04054	0.9
161.02478	2.2
163.04031	1.0
167.03462	1.4
168.00658	65.5
169.01355	6.9
175.03996	1.2
179.03519	3.5
258.99118	0.8
269.06442	0.8
313.05679	7.6
364.99399	1.4
418.07928	5.0
436.08881	100.0
436.97952	1.6
437.09195	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	436.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
66.68904	0.2
69.50084	0.2
71.42127	0.3
72.99304	2.8
76.07687	0.2
90.05094	0.3
99.64169	0.2
109.02973	0.8
123.04571	1.1
125.55228	0.2
133.03046	0.3
134.03819	1.3
134.59396	0.3
135.04535	5.4
135.05505	0.4
142.40463	0.2
160.01718	0.4
161.02466	0.7
163.04094	1.1
175.03960	1.4
178.02762	0.6
179.03508	1.6
185.02458	0.4
193.05101	1.5
197.04543	2.6
321.04199	0.8
339.05334	0.2
357.09744	1.3
373.09470	0.4
437.05762	1.0
437.19168	0.4
464.63861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00188	0.7
54.73422	0.7
58.13686	0.6
59.01395	0.9
61.98836	100.0
70.48246	1.1
96.08845	0.7
107.05069	0.9
133.02969	1.2
134.03761	4.0
135.04543	45.0
136.04898	2.0
138.13820	0.8
161.02513	1.7
179.03516	31.2
180.03897	1.5
205.68185	0.6
316.25095	1.0
322.15411	0.7
373.09326	33.8
374.09735	2.8
406.98532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.5
62.30783	0.8
71.01389	7.0
72.99310	2.6
73.02934	1.6
79.37301	0.9
80.91686	10.8
85.02957	2.5
89.02471	2.8
95.01418	0.9
96.96035	0.9
97.06596	0.9
101.02444	3.2
105.57776	0.9
113.02477	2.2
115.92113	0.9
117.03487	1.3
118.74496	0.9
123.04510	1.1
125.02539	1.4
132.02190	10.0
133.02969	1.3
134.03760	11.4
135.04558	11.3
149.06094	2.3
151.04068	1.1
160.01675	66.1
161.02400	5.1
163.34036	0.9
175.04019	100.0
176.04372	6.4
179.03526	2.4
191.07164	2.3
193.03302	1.4
193.05064	23.5
194.05424	1.8
197.04515	1.2
202.02754	1.2
217.05075	7.2
235.06161	3.4
255.11223	0.9
258.99237	1.4
280.43036	0.9
295.08276	1.6
302.24100	1.0
355.10361	34.5
356.10721	2.7
437.15665	1.7
437.20737	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1091
Annotation	Fortuneanoside J
Peak:m/z	Relative Intensity
55.33230	1.0
55.61119	0.9
57.00750	0.9
59.01385	4.1
61.98835	1.0
71.13004	1.0
77.03999	1.4
78.95911	1.4
93.03497	1.1
94.98112	2.8
96.96038	8.7
96.96964	2.0
97.02982	3.7
99.04533	1.3
108.02196	1.1
109.02964	74.2
110.03291	3.6
116.92884	1.6
117.30654	1.0
121.02954	6.7
126.83094	1.1
135.04529	3.8
137.02458	20.2
147.04497	1.6
161.02451	2.0
165.01945	100.0
166.02319	4.3
189.01904	1.0
189.05638	5.1
193.05106	1.5
207.06635	1.1
215.03436	2.3
231.06657	2.0
244.19583	0.9
257.04584	9.1
258.04880	1.1
275.05634	55.8
276.05951	3.4
299.05490	1.6
301.08282	1.0
437.10931	19.6
437.16690	0.9
438.11215	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	437.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21670	1.3
59.01391	6.8
65.00314	1.5
68.99828	2.5
71.01401	2.1
71.43592	1.1
72.99319	9.1
73.35400	1.1
84.99321	4.9
87.00908	6.1
87.01321	1.0
93.03455	1.8
99.04525	1.4
101.02444	1.9
109.02962	1.9
111.00935	1.1
112.98827	81.2
113.09734	2.9
113.99127	1.7
117.03478	3.3
119.05041	92.4
120.05394	2.8
121.03024	1.8
123.04537	2.3
129.03424	1.0
130.99864	1.6
131.05029	1.2
133.02945	4.7
134.03664	1.5
135.04543	19.4
137.02451	1.3
143.05051	2.5
145.02972	19.0
146.03578	1.4
147.04523	10.8
149.06076	2.6
157.12373	2.6
159.04535	2.0
159.10281	20.8
161.02473	6.9
161.06105	5.4
163.04028	100.0
164.04349	3.5
173.11879	7.0
175.04051	8.9
177.05600	4.5
177.93697	1.4
179.03554	3.2
183.10278	4.5
189.05614	1.9
197.04553	3.9
201.11354	3.6
203.03517	39.1
204.03825	1.4
205.05104	3.7
215.03474	4.6
222.88367	1.3
229.22676	1.2
233.04581	3.9
255.08730	2.1
257.17651	1.3
259.02335	2.4
277.03555	43.4
278.03854	3.7
364.99316	3.7
436.97888	2.9
437.23712	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	437.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21670	1.3
59.01391	6.8
65.00314	1.5
68.99828	2.5
71.01401	2.1
71.43592	1.1
72.99319	9.1
73.35400	1.1
84.99321	4.9
87.00908	6.1
87.01321	1.0
93.03455	1.8
99.04525	1.4
101.02444	1.9
109.02962	1.9
111.00935	1.1
112.98827	81.2
113.09734	2.9
113.99127	1.7
117.03478	3.3
119.05041	92.4
120.05394	2.8
121.03024	1.8
123.04537	2.3
129.03424	1.0
130.99864	1.6
131.05029	1.2
133.02945	4.7
134.03664	1.5
135.04543	19.4
137.02451	1.3
143.05051	2.5
145.02972	19.0
146.03578	1.4
147.04523	10.8
149.06076	2.6
157.12373	2.6
159.04535	2.0
159.10281	20.8
161.02473	6.9
161.06105	5.4
163.04028	100.0
164.04349	3.5
173.11879	7.0
175.04051	8.9
177.05600	4.5
177.93697	1.4
179.03554	3.2
183.10278	4.5
189.05614	1.9
197.04553	3.9
201.11354	3.6
203.03517	39.1
204.03825	1.4
205.05104	3.7
215.03474	4.6
222.88367	1.3
229.22676	1.2
233.04581	3.9
255.08730	2.1
257.17651	1.3
259.02335	2.4
277.03555	43.4
278.03854	3.7
364.99316	3.7
436.97888	2.9
437.23712	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	437.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03186	3.4
57.03458	23.6
59.01383	27.1
64.93404	2.8
71.01360	7.4
72.99325	6.6
73.02962	2.7
78.91897	6.8
80.91673	3.0
99.04536	24.3
101.02420	7.1
106.01205	3.3
109.02937	3.3
112.98796	5.5
117.03418	3.1
119.05005	5.5
123.04482	4.5
125.02426	7.2
133.02963	11.0
134.03734	10.9
135.04541	100.0
136.04861	4.0
145.02940	3.3
147.04555	3.3
151.03957	4.8
160.01772	3.9
161.02463	27.5
162.03001	3.8
163.04071	6.8
175.04053	7.0
179.03517	31.8
193.05013	10.3
195.06635	4.7
197.04544	7.1
201.11340	8.2
293.16309	4.4
295.08490	2.9
436.97620	6.3
441.96890	3.0
445.73495	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75978	0.8
59.01382	14.4
69.80322	2.4
71.05022	2.1
72.99315	1.3
85.02955	3.9
94.27678	1.0
97.02963	11.3
98.21968	1.4
109.02963	2.1
112.98809	0.9
113.02445	1.3
115.04027	100.0
116.04359	2.4
119.05035	1.7
125.02434	3.4
131.05893	1.0
134.03751	1.3
135.04559	13.6
149.02426	1.0
153.01836	1.1
161.02515	2.3
163.04012	1.3
179.03506	2.0
197.04663	1.2
211.10803	0.9
213.06781	0.9
215.09261	7.7
221.13058	0.8
256.44122	0.9
364.99362	3.0
392.98935	1.1
436.97913	3.9
437.11053	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	437.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16051	0.6
51.57508	0.7
57.03446	0.9
59.01386	100.0
60.01712	1.1
71.01395	8.1
72.99318	1.2
73.02954	12.7
76.40249	0.7
83.01412	2.4
83.05052	0.9
84.27044	0.7
85.02977	2.0
89.02462	2.5
95.01405	0.8
101.02457	8.9
113.02464	4.0
119.03524	0.9
133.02982	1.9
135.04549	4.8
137.09776	2.4
161.02466	5.7
161.04630	1.7
179.03580	1.9
197.04601	0.9
233.15598	1.5
436.97946	0.9
437.22302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94802	1.0
59.01385	1.6
61.98838	100.0
78.95918	4.3
96.96021	11.9
96.96972	7.0
105.96069	1.5
207.45337	1.2
217.00209	1.5
235.75877	1.2
241.00258	6.5
252.07434	1.5
254.07338	1.5
279.75159	1.2
294.08249	3.1
295.08725	2.5
296.08173	2.8
343.35416	1.5
438.09515	2.8
453.50290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
59.83061	1.1
61.98837	100.0
71.01388	3.1
72.81476	1.0
74.53280	1.2
78.95915	2.2
95.31902	1.3
96.96005	4.2
96.96978	4.7
101.02457	1.1
102.23529	1.1
110.55401	1.3
118.96645	6.6
123.25771	1.1
132.98184	5.2
135.04507	1.7
141.00499	1.5
154.45409	1.1
156.98244	5.8
160.97720	4.2
170.99806	1.5
179.05667	1.3
182.99777	1.6
191.00261	1.5
191.01875	1.4
208.59137	1.2
210.99275	2.6
217.00291	12.1
224.81366	1.2
229.00288	1.8
242.00598	1.7
259.01355	5.3
277.00186	3.4
278.61844	1.1
294.92719	1.3
341.10834	3.0
378.00818	2.9
379.00711	1.3
379.05228	2.8
379.09521	1.9
396.07001	6.0
397.06619	2.7
439.07401	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	438.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.5
61.98837	100.0
69.95741	2.5
69.96137	2.0
71.01395	2.3
72.99321	3.0
85.02975	1.8
98.22558	2.3
109.02976	1.2
113.02430	1.3
118.34016	1.1
121.02981	2.8
122.63208	1.1
133.02979	4.9
135.04550	10.2
138.16206	1.1
161.02480	14.6
179.03510	3.8
197.04575	2.8
289.16537	2.1
308.24832	1.2
321.03763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.8
59.05862	0.7
70.78096	0.6
71.01365	1.0
72.99298	2.6
73.02926	1.1
78.95919	0.9
79.95741	21.5
80.96091	1.0
80.96522	11.5
82.42110	0.7
89.02437	0.9
98.22687	2.1
98.56120	0.6
99.18604	0.7
101.02467	1.5
107.05000	1.5
109.02925	1.5
110.50893	0.8
117.05600	0.9
123.04501	4.0
133.02972	2.3
134.03751	1.3
135.04543	63.1
136.04858	2.6
138.51797	0.7
151.04022	8.7
157.38469	0.7
161.02440	3.0
179.03549	3.4
192.44080	0.7
196.64063	0.6
197.04567	3.7
203.00076	0.7
215.00218	100.0
216.00555	5.1
221.04387	0.7
230.99704	48.3
231.99953	2.7
239.14668	0.7
258.99188	29.3
259.99442	1.4
270.08350	0.7
277.00299	10.7
281.49390	0.7
307.17773	1.5
321.04089	0.8
339.05264	0.7
439.03485	33.6
439.21973	1.1
440.04016	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	439.034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75724	0.5
59.01382	1.3
59.16536	0.4
71.01363	0.6
72.99312	3.3
78.91876	1.5
79.95289	0.8
79.95739	9.9
80.96524	7.7
89.45034	0.4
91.05087	0.4
105.03448	0.8
107.05060	3.6
109.02950	0.5
123.04530	1.4
133.02979	5.2
134.03778	1.0
135.04539	37.6
136.04849	1.5
145.02905	0.9
151.04002	0.8
161.02460	12.7
162.02840	0.6
179.03517	5.3
197.04555	3.5
203.03458	0.6
215.00217	70.4
216.00563	2.4
229.24663	0.5
240.98198	0.6
258.99185	100.0
259.99524	5.3
284.51593	0.5
295.06113	0.7
319.09302	0.4
321.04080	0.8
338.86990	0.4
359.07645	0.5
371.56723	0.4
408.35056	0.5
413.03946	0.6
439.03448	24.1
439.12500	1.0
440.03656	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	439.055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75514	0.9
59.01391	5.3
69.68779	4.2
71.01397	4.0
79.95747	3.5
85.02956	1.6
86.63189	0.9
89.02460	2.3
93.03447	2.4
96.96021	100.0
99.00903	1.2
99.92612	1.0
100.93370	1.4
101.02450	1.8
111.00932	0.9
113.02477	1.1
115.91003	1.2
115.92043	1.0
118.96661	1.9
133.02933	3.0
133.49963	1.1
135.04532	6.1
137.02460	7.2
156.98158	1.7
160.97557	1.2
161.02483	13.2
179.03485	4.1
181.66664	1.1
188.98717	3.7
191.00281	11.4
193.91020	1.0
203.97389	2.0
205.99054	6.0
213.95770	1.0
215.00195	2.3
216.98193	4.0
217.00165	1.3
222.99324	1.4
230.99654	1.7
231.96848	1.7
233.01382	6.5
234.99260	10.6
247.68929	1.1
248.97159	2.7
258.99219	9.3
261.70203	1.0
274.33557	1.3
277.00323	54.0
277.53729	1.1
278.00620	3.8
289.00314	1.3
319.01315	5.8
341.08917	6.8
379.03848	2.4
403.12524	8.5
439.01291	1.2
439.06549	1.2
445.65643	1.0
456.79907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21601	1.0
57.03455	1.8
58.00604	1.1
59.01385	84.1
60.01721	1.4
71.01386	54.0
73.02934	2.0
78.95903	4.4
83.01424	1.6
85.02961	6.5
87.00905	6.0
89.02454	61.1
90.97137	1.2
94.06055	0.9
95.01378	2.7
95.91016	1.0
96.96966	8.2
97.02966	0.9
99.00891	2.2
101.02455	23.9
113.02457	19.6
115.75561	1.3
118.96667	9.3
119.03527	20.8
125.02505	1.3
131.03481	2.3
132.98203	5.8
135.04529	1.1
143.03529	3.8
146.99753	2.5
149.04549	2.2
156.98169	10.0
160.97681	6.3
161.04556	9.3
168.98178	1.6
170.99699	1.8
175.38762	1.0
179.05617	28.2
183.01514	1.9
186.99271	2.8
196.97755	1.1
198.99196	3.6
210.99229	3.5
217.00313	15.6
217.49712	1.2
218.00609	1.0
229.00337	3.4
242.98216	2.6
247.01384	1.3
259.01285	6.3
341.10898	100.0
342.11270	6.5
379.05447	4.3
439.07712	7.5
450.00000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1611
Annotation	Dictamnusine
Peak:m/z	Relative Intensity
51.02371	5.7
53.56208	1.5
55.01884	3.4
57.03448	1.7
59.01386	21.5
67.01908	2.0
71.01382	17.8
71.16231	1.7
72.99315	13.7
83.01392	1.8
85.02946	3.4
87.00883	2.5
89.02444	11.7
94.98082	1.5
95.01427	3.3
98.21985	1.8
101.02416	7.7
105.66930	1.8
107.63679	1.6
109.02960	4.6
110.90955	1.6
113.02483	9.2
116.43957	2.2
117.03445	1.8
119.03509	4.5
123.04512	5.9
133.02979	2.4
134.03708	2.3
135.04541	27.4
136.04860	6.5
161.02415	3.2
161.09735	3.9
163.03981	3.4
163.07651	1.8
163.11284	4.1
163.65608	1.5
164.04837	1.6
175.07751	3.2
177.09203	3.5
177.12849	2.6
179.03502	7.0
179.10780	14.3
180.03802	2.7
187.07819	1.8
187.11252	4.4
189.09253	5.4
189.12868	3.6
190.09949	6.3
191.07140	3.1
192.07851	1.9
197.04572	10.4
198.04904	3.8
200.08505	4.5
203.06918	1.9
204.11354	1.4
205.12343	100.0
206.12656	6.9
215.10757	14.2
217.08665	4.2
217.12405	2.0
218.09531	9.7
220.07300	2.3
231.10265	5.0
232.10994	5.4
233.11847	56.6
234.12263	4.7
249.11334	51.2
250.11607	3.1
259.09760	6.6
261.11319	2.2
276.09979	14.0
277.10828	25.1
278.11258	2.5
282.82437	1.9
313.67844	1.7
321.04047	3.8
345.03619	2.2
395.17117	6.0
439.16083	88.1
440.04419	1.6
440.16354	9.9
447.31036	1.9
456.07742	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	439.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39714	7.5
59.01377	22.1
61.98828	20.2
65.09905	7.0
65.47222	7.9
69.49778	34.2
71.01377	8.7
72.99316	9.8
78.91891	73.4
78.95921	11.1
79.95776	8.7
87.04552	8.2
96.96014	100.0
102.02042	6.6
107.64838	6.7
118.96722	7.7
119.05019	13.3
134.03792	15.4
135.04544	60.1
146.27390	7.9
161.02452	27.1
165.01912	7.5
179.03543	14.3
188.90575	7.9
191.00259	11.4
193.05060	9.0
195.06754	18.8
197.04567	13.2
215.00293	14.0
217.04697	11.1
218.99854	8.9
223.98361	6.9
236.79672	8.4
261.00726	9.0
277.00305	36.6
290.07056	8.7
319.01233	12.2
379.04184	11.4
439.17554	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	439.1743
Annotation	Globuliferin
Peak:m/z	Relative Intensity
69.38095	84.5
69.98802	17.3
102.50259	18.4
104.40575	19.1
108.00932	17.7
135.23109	18.7
141.87755	17.2
217.77402	18.5
260.11029	20.0
322.10822	17.6
439.17450	100.0
447.16165	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	439.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65373	1.3
59.01385	88.8
59.39286	1.5
60.43526	1.3
69.03448	2.5
69.18411	6.6
69.18817	3.2
70.89385	1.5
71.01393	10.2
72.99318	2.9
73.02962	6.4
75.00858	2.2
78.91905	2.7
82.95437	2.6
83.01389	2.6
85.02965	5.6
87.00881	100.0
89.02457	4.9
92.20000	1.5
97.02962	1.4
99.00900	5.1
101.02452	5.4
113.02456	8.0
133.02946	3.7
134.03752	1.6
135.04532	12.6
141.01952	7.3
145.02975	1.4
160.99478	1.4
161.02481	13.2
164.08286	2.2
179.03513	3.8
182.48558	1.3
205.08650	2.0
207.13930	12.3
217.12285	1.6
219.13887	1.6
235.07681	7.4
237.14975	29.7
238.15306	2.4
277.12210	1.6
285.68646	1.6
295.43314	1.8
307.15332	3.3
367.00803	1.7
382.12927	2.4
397.22421	3.2
439.19592	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	439.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90276	0.3
59.01386	100.0
60.01723	1.0
62.30119	0.4
67.87540	0.3
69.05834	0.5
69.06237	2.5
71.01402	0.9
72.99310	4.6
78.91898	0.7
80.91689	0.6
85.02971	0.6
89.02485	0.4
101.02435	0.4
107.05045	0.4
109.02983	2.3
113.98232	0.3
117.03495	0.5
119.05048	0.8
121.02956	0.6
123.04543	1.2
132.02222	0.7
133.02988	5.3
134.03824	1.9
135.03500	0.7
135.04538	13.7
136.04907	2.0
145.03006	1.5
149.02370	0.4
151.04024	0.8
161.02469	15.8
162.02805	1.8
163.04095	0.8
179.03534	5.3
180.03923	0.7
183.03352	0.4
185.02509	0.8
197.04582	3.6
198.04887	0.5
236.64401	0.5
249.05650	0.5
265.04971	0.5
267.06506	0.4
276.95602	0.7
277.05219	0.8
280.03568	0.5
293.04736	0.6
295.06177	0.6
302.88925	0.4
321.04022	2.1
322.04562	1.2
339.05194	1.0
359.07684	0.6
364.08255	0.7
365.08679	0.4
367.01382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01714	0.9
63.56247	0.4
69.24593	2.4
71.01389	3.2
72.99307	2.2
73.02959	0.9
75.67699	0.4
78.91933	0.7
80.91714	0.5
81.70347	0.5
82.37032	0.4
83.01379	0.8
85.02972	1.4
89.02511	0.9
101.02470	1.8
113.02482	1.5
123.04567	1.3
133.02989	1.7
134.03729	0.5
135.04555	5.3
160.01656	0.5
161.02441	5.6
161.04536	1.0
162.02798	0.8
164.98270	0.4
165.05646	0.6
165.65773	0.4
179.03458	2.3
180.04066	0.5
180.59802	0.4
197.04645	1.6
262.13907	0.5
397.22473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01719	0.8
63.22833	0.3
70.43851	0.7
71.01381	3.8
71.92671	0.3
72.99328	1.1
73.02953	2.2
73.17614	0.3
83.01426	0.7
83.05058	1.2
85.02977	1.1
87.11198	0.3
89.02469	1.4
90.67889	0.3
100.52171	0.3
101.02467	1.7
101.06100	0.4
105.03611	0.4
106.42453	0.3
109.02975	0.5
113.02467	1.7
123.04548	0.8
132.02242	0.5
133.03004	1.8
134.03758	1.2
135.04543	6.8
136.04877	0.7
148.01819	0.3
155.86180	0.3
160.01714	1.4
161.02457	5.4
161.04564	0.7
175.04025	1.7
179.03528	2.0
197.04652	1.0
214.50522	0.4
267.06625	0.4
321.04190	0.7
337.09479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
59.01387	100.0
60.01738	0.6
71.01391	5.6
72.99323	1.4
73.02956	2.2
83.01407	0.8
85.02951	3.1
89.02467	1.9
95.01407	0.7
98.21819	1.0
99.00889	0.6
101.02460	3.7
109.02953	0.5
113.02465	4.1
119.03548	0.8
123.04569	0.7
128.36655	0.4
133.03006	1.5
135.04547	6.6
136.04860	0.7
137.02435	0.5
141.01691	2.2
161.02452	5.3
161.04639	1.3
162.02826	0.6
172.10608	0.4
179.03534	2.1
180.03804	0.4
197.04637	1.2
209.35139	0.5
210.29527	0.4
214.60878	0.4
218.18939	0.5
229.52055	0.4
234.61223	0.5
301.92789	0.5
321.03934	0.7
367.01154	1.8
379.21112	0.6
395.00366	0.6
397.22559	1.8
438.99011	0.5
446.93173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69108	0.3
59.01388	100.0
59.56645	0.3
60.01738	0.7
69.34151	1.1
69.34563	0.7
71.01392	2.8
72.99316	0.7
73.02969	1.0
77.14780	0.3
83.01398	0.4
85.02976	1.5
99.00894	0.3
101.02484	1.5
113.02499	1.1
133.02994	0.5
135.04562	1.4
159.03003	0.3
161.02515	1.6
161.04588	1.0
163.04068	0.3
179.03474	0.4
179.37675	0.3
197.04701	0.3
397.22406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.04272	3.9
70.04617	1.5
71.01386	8.5
72.99318	1.5
73.02954	25.5
74.03273	1.9
82.58062	1.5
83.01409	3.8
85.02950	2.2
89.02446	2.4
99.04528	3.6
101.02434	13.1
113.02455	6.0
125.31640	1.3
133.02974	3.0
135.04530	5.9
161.02397	6.6
179.03505	3.3
197.04700	1.6
287.66260	1.4
303.60632	1.7
454.96094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01718	1.0
69.53705	2.5
73.03326	0.5
96.67436	0.5
96.72923	0.6
98.22569	1.1
133.03024	0.7
133.89694	0.5
135.04547	1.8
161.02521	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01727	1.0
62.07396	0.4
65.51833	0.5
65.73795	0.4
69.63474	0.5
69.63808	1.6
71.01382	2.0
72.15701	0.4
73.02946	0.6
85.02969	1.5
89.02475	1.4
91.59510	0.5
99.00924	0.4
101.02452	1.9
108.22549	0.4
113.02506	1.3
118.19249	0.4
135.04538	0.8
140.20703	0.4
155.63339	0.4
179.05704	0.4
279.14435	0.4
301.25104	0.4
322.07758	0.4
397.22531	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	4.3
61.98838	64.6
71.01400	4.6
72.99312	4.6
73.02944	3.2
80.22716	0.8
83.01389	2.3
85.02940	1.7
94.55304	0.8
99.00918	0.8
101.02454	4.6
101.67578	0.8
109.02898	0.9
113.02473	2.1
123.04543	2.1
126.15726	0.8
132.02238	1.0
133.02975	7.5
135.04546	9.9
136.04832	1.1
161.02464	23.1
161.04527	1.7
162.02757	3.3
174.05753	1.0
179.03497	4.2
197.04556	1.6
202.05148	2.9
228.18657	1.0
246.04095	2.2
249.27441	0.9
266.05835	0.9
278.06686	3.3
283.13257	1.0
291.18265	1.3
359.07394	1.2
375.62546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99322	2.4
79.22038	0.6
79.95737	2.1
83.07302	0.7
96.96021	100.0
123.04507	0.9
127.05184	0.7
135.04549	5.2
161.02385	1.4
173.57785	0.7
179.03514	1.0
184.97255	0.7
197.04553	2.4
344.43344	0.8
441.16650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	37.4
62.27071	0.9
71.01023	1.5
71.01388	20.1
72.99315	1.2
73.02944	1.0
73.98289	0.7
80.44101	1.0
80.91699	8.9
83.01406	1.2
85.02948	4.3
89.02455	15.3
89.02962	1.7
95.01395	2.2
96.96020	1.9
97.38517	0.9
99.92597	3.1
100.93378	2.9
101.02460	8.8
109.02949	1.0
113.02459	6.6
115.92085	3.6
116.92858	7.0
117.35725	0.8
119.03530	4.8
119.04993	1.7
121.02972	3.9
123.00903	2.1
127.00396	0.8
133.02943	1.2
135.04523	3.0
137.02457	3.6
138.03229	1.7
139.04054	1.2
153.05618	6.6
161.02505	1.3
163.04033	0.9
165.01933	1.4
166.99931	1.5
172.05205	1.0
173.02174	0.8
181.01419	4.0
182.02229	5.8
195.06682	1.0
196.03806	4.0
197.04568	25.0
203.03455	2.1
211.06125	3.2
224.03230	2.6
239.05640	13.5
246.96593	0.8
299.07941	1.6
359.09869	100.0
360.10156	7.6
441.01550	4.5
441.17923	1.2
455.86606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.5
70.96506	0.3
71.01399	0.4
73.02957	0.1
82.95433	0.3
85.02970	0.1
92.24735	0.1
98.68969	0.1
101.02474	0.3
105.03458	0.5
109.02953	0.6
116.92858	0.4
117.03485	0.2
123.04527	0.2
131.04356	0.1
132.02197	1.6
133.02971	28.6
134.03304	1.1
135.04532	0.6
146.03755	0.7
147.04512	0.4
149.06093	0.5
150.03265	0.8
151.04037	0.2
159.04568	0.4
160.01779	0.2
161.02461	100.0
162.02798	4.9
163.04095	0.4
172.05302	0.3
174.03247	2.1
175.04025	2.4
175.07669	0.7
176.04694	0.3
177.05661	0.2
179.03477	0.3
187.04033	0.5
187.07693	0.6
189.05574	0.2
190.06230	0.2
197.04678	0.2
200.04814	1.2
201.05568	0.3
201.09219	0.3
202.06326	0.3
203.03717	0.2
203.07159	3.8
204.07603	0.2
205.08652	0.4
211.07648	0.7
213.12895	0.1
215.07187	0.4
218.05844	1.9
219.10387	0.2
229.08687	1.1
237.11281	0.1
247.09756	3.1
248.10205	0.2
261.11337	0.2
279.12405	3.6
280.12750	0.3
321.11191	0.8
347.12759	0.4
365.14041	0.7
397.16876	0.2
409.13052	0.2
441.15561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.15117	1.2
62.67984	1.2
65.41502	1.4
69.85264	4.0
71.01390	2.9
72.99299	2.2
73.02946	3.8
78.30080	1.5
80.37057	1.4
80.51698	1.5
82.95426	2.6
94.54071	1.5
98.21956	2.1
101.02393	2.0
109.02977	2.3
113.02515	1.8
123.04534	1.7
135.04555	6.2
161.02469	4.0
179.03526	3.1
197.04576	3.7
209.93195	1.7
321.03870	1.7
359.07675	2.8
468.80032	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	441.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01570	0.7
59.01385	100.0
60.01725	1.3
60.26844	0.8
61.35963	0.8
61.36346	0.8
63.59210	0.8
67.85146	1.0
69.73280	1.9
71.01382	4.1
72.99309	1.4
73.91893	0.8
82.95396	0.8
85.02956	1.4
89.02460	1.2
101.02443	2.2
113.02451	1.5
135.04529	1.6
158.04192	0.8
161.02483	2.7
161.04501	1.0
171.51839	0.8
179.03461	2.1
197.04547	1.7
321.03986	1.5
443.42212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60965	0.5
59.01385	100.0
60.01709	1.0
71.01385	4.4
72.99311	0.7
73.02947	1.2
85.02971	1.4
89.02470	1.1
101.02480	1.9
113.02477	1.9
125.37510	0.4
126.90419	2.6
133.02992	2.1
135.04543	2.0
137.02467	0.8
140.96535	0.4
143.68597	0.5
151.03932	0.6
161.02461	7.9
161.04568	0.8
162.02849	0.9
164.13579	0.5
179.03554	1.5
397.63602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01720	1.2
71.01404	4.0
72.10636	0.8
73.02938	1.5
80.91680	0.9
98.22679	2.2
101.02441	2.1
113.02476	1.9
115.64729	0.7
116.87483	0.8
127.51302	0.7
134.03658	1.0
135.04543	5.1
139.16566	0.8
159.85834	0.7
161.02449	2.8
161.15350	0.8
179.03523	3.8
359.07837	1.0
399.24020	1.8
441.20352	0.8
442.34891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75385	1.4
55.28047	1.2
56.90410	1.5
59.01388	7.8
69.67603	2.5
69.68012	4.4
71.01394	1.7
72.99313	1.4
73.02948	2.5
82.95428	50.5
83.01399	8.0
85.02951	1.5
87.14951	1.3
95.01406	1.4
101.02463	2.4
102.86237	1.2
106.03987	1.4
107.01382	2.1
107.95152	1.4
109.02961	6.0
125.02462	7.2
134.03719	2.0
135.04561	4.5
135.93307	1.3
137.02448	1.8
147.00047	1.4
149.02423	3.3
151.00356	11.6
153.01959	100.0
154.02281	2.1
160.01611	1.4
161.02466	4.9
175.04076	3.8
177.01974	2.1
179.03519	1.8
193.04997	1.4
195.03001	2.2
197.04572	1.6
210.52576	1.7
219.03189	1.5
248.16995	1.3
265.94632	1.4
276.44482	1.5
399.09283	7.1
443.15576	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	443.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01374	5.1
65.00346	2.1
69.41800	1.9
69.42185	1.7
71.01382	2.4
73.02940	1.1
74.33118	0.8
83.01389	6.9
89.02445	1.0
93.03428	1.2
107.01406	1.9
109.02951	3.5
111.74929	0.7
119.05020	1.7
124.01559	0.9
125.02463	6.1
132.02182	3.6
134.03766	4.7
135.04512	1.2
137.02460	3.5
147.04611	1.2
149.02473	1.8
151.00369	14.3
151.03989	1.0
151.53970	0.9
153.01950	100.0
154.02319	2.7
160.01666	19.6
161.02408	0.8
163.04051	1.7
164.04349	1.2
165.01921	1.3
167.03445	1.3
175.04024	21.4
175.05511	1.7
175.55721	0.8
176.04327	1.3
177.02074	1.8
179.03519	2.6
184.51015	0.8
193.05048	7.6
195.03043	6.1
209.04561	1.5
213.45036	0.8
239.05574	1.7
278.44858	1.0
299.07751	1.1
339.07242	3.1
350.60794	0.8
392.66620	0.8
399.09280	13.8
443.15643	14.0
444.15814	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	443.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01916	0.8
57.03501	0.9
58.00646	0.8
59.01384	14.0
71.01385	8.8
72.74828	0.6
72.99373	2.4
73.02999	1.9
75.00280	2.0
75.00880	69.3
82.95462	1.3
83.01472	1.5
85.03024	2.5
87.00914	1.1
89.02446	5.8
99.00926	0.7
101.02471	7.3
102.15091	0.6
113.02469	3.2
117.02030	1.0
119.01464	1.4
119.03582	2.5
119.05068	1.0
121.03027	2.4
125.02525	1.6
129.58583	0.6
132.02246	2.5
133.03017	1.9
134.03809	2.3
135.04584	2.2
145.03050	1.8
147.04613	1.6
149.02463	15.9
149.03580	0.8
150.03146	0.8
153.02042	1.1
160.01668	8.6
161.02444	2.8
163.04062	1.0
164.04808	12.3
165.05652	0.6
168.00670	1.0
170.80939	0.7
175.00406	7.2
175.04005	11.3
176.01152	4.8
178.97029	0.6
179.03506	1.0
179.07170	1.4
190.02739	22.1
191.03502	6.7
193.05099	3.1
205.05072	23.2
206.05548	1.6
208.03699	0.8
219.05087	1.8
221.08272	1.1
221.11830	0.8
223.06113	9.9
237.06180	100.0
238.06566	4.3
265.07135	1.2
276.62708	0.8
281.06558	0.9
309.94431	0.7
325.09027	1.0
367.09930	1.5
443.11642	38.6
444.12048	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	443.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	7.5
59.01387	72.8
60.01691	1.1
64.41119	1.1
69.22701	6.3
71.01388	38.2
72.99345	1.4
73.02965	2.4
73.05779	1.2
73.45476	1.0
74.35158	1.1
83.01401	2.8
85.02953	5.6
87.00898	3.5
89.02452	46.3
95.01389	2.8
95.68896	1.2
99.00898	1.8
101.02454	100.0
104.00987	1.1
113.02454	15.5
117.00393	1.4
119.03526	15.1
122.95978	1.8
131.03540	1.9
132.98143	2.2
141.00441	1.9
143.03520	4.6
148.58749	1.2
158.99812	1.5
159.01352	1.3
161.02512	2.1
161.04590	4.9
164.96947	1.4
174.99324	5.0
179.03438	1.6
179.05603	24.7
201.02568	6.7
202.02704	1.6
202.94289	1.5
202.98691	3.4
203.02342	4.4
217.00320	12.1
220.99579	3.3
225.17326	1.2
226.98813	1.4
245.14392	1.2
263.00760	1.3
263.05701	1.5
290.97147	2.6
323.09747	2.6
341.10919	82.3
342.11243	7.4
344.94586	2.7
345.03656	1.5
361.01547	3.0
383.12152	5.9
396.74295	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
57.69370	1.8
59.01386	80.8
61.87501	1.8
67.77650	1.9
69.82886	7.3
71.01389	30.2
72.99313	5.8
73.02946	7.5
83.95177	1.9
85.02967	10.9
87.00871	3.2
89.02457	17.7
93.03517	2.7
95.01397	4.7
99.04530	95.5
100.04832	2.4
101.02459	29.9
107.55282	1.8
113.02459	22.1
117.03477	5.5
119.03523	8.0
119.05027	24.5
123.04536	2.5
125.02460	54.3
131.03487	2.9
133.03004	2.1
135.04530	7.5
137.02437	5.7
137.06125	2.7
143.03535	4.3
145.02972	23.9
146.03491	2.2
151.03986	3.3
161.02429	5.9
161.04568	2.0
162.02773	3.1
163.03998	9.5
179.03493	6.2
179.05736	3.4
179.07176	7.2
185.27359	2.2
192.06691	2.0
197.04573	2.4
215.59898	1.9
281.10364	41.9
299.11362	23.0
305.04510	2.0
341.12363	9.3
387.45459	2.6
443.07404	9.5
443.15359	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	443.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.8
57.03455	1.9
59.01387	16.5
69.38808	1.9
69.39212	1.2
70.26877	0.7
71.01392	11.4
73.02979	2.6
75.00886	0.7
83.01432	1.0
84.07358	0.6
85.02951	3.8
87.00900	1.1
89.02460	4.9
94.66038	0.7
95.01392	0.9
97.02953	0.7
99.00926	0.7
101.02450	7.2
105.05608	1.2
113.02466	2.8
117.03511	2.2
119.03513	1.8
119.05010	1.6
125.02494	0.8
132.02197	15.4
133.02998	5.3
134.03767	18.6
135.04613	1.5
137.02487	1.1
145.02963	1.9
149.06102	2.9
160.01678	82.6
161.02458	7.0
161.04570	1.1
162.02908	0.9
163.04019	1.3
175.04022	100.0
176.04338	4.8
178.02751	0.7
179.03534	1.4
179.05563	0.9
193.05084	30.4
194.05444	1.5
195.10298	0.7
200.71361	0.6
205.04971	1.0
221.04500	0.7
235.06056	1.8
235.13567	0.9
251.12625	0.7
263.12927	5.2
265.14471	1.6
267.07477	0.8
281.13959	1.5
301.40103	0.7
428.13477	1.2
443.15457	67.7
444.15891	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	443.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03449	1.3
59.01385	100.0
60.01730	1.4
69.03468	0.6
69.94580	1.1
69.94936	1.0
71.01389	23.5
72.99322	1.6
73.02950	9.4
73.17969	0.5
78.54011	0.5
83.01394	5.0
85.02959	11.5
87.00889	1.5
88.42513	0.5
89.02452	4.7
94.37022	0.5
95.01416	2.2
96.96006	0.8
97.02981	1.1
99.00892	3.5
101.02454	15.0
101.03108	0.8
103.65219	0.7
109.03014	1.1
113.02466	10.6
117.03516	0.7
119.04999	0.7
125.02495	1.4
129.01965	0.6
131.03534	1.4
135.04565	1.8
135.58421	0.6
137.02493	0.8
143.03558	1.0
145.03001	4.3
149.02550	0.7
149.04584	0.7
159.03049	1.8
161.02534	1.2
161.04578	10.7
161.05855	0.8
163.04024	1.4
175.04147	0.8
193.05069	0.7
237.05460	0.6
251.09329	1.8
263.03671	0.9
265.05225	1.0
269.10327	26.3
270.10779	1.7
285.11530	0.5
293.04678	1.0
295.06366	0.7
311.11337	3.0
383.13181	0.6
401.14536	17.0
402.15149	1.1
443.08206	1.8
443.15866	5.7
444.15918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89712	1.0
55.01899	1.3
57.03455	1.4
58.00581	1.5
59.01384	100.0
64.22057	1.0
68.26540	1.0
70.50668	0.9
71.01391	45.6
71.40950	1.0
72.99313	4.0
73.02944	4.5
79.05512	2.1
81.03455	2.1
82.95425	4.4
83.01412	1.6
83.90400	1.0
85.02958	7.3
87.00896	1.5
88.98848	1.3
89.02451	53.3
93.07127	1.3
95.01392	2.2
95.05032	3.3
99.04520	9.6
100.96867	0.9
101.02455	25.3
103.00114	1.0
106.04276	1.5
106.27312	0.9
107.05038	4.7
113.02458	16.6
113.06081	3.0
119.03512	21.7
121.79049	1.1
123.04571	2.0
125.02462	1.7
131.03539	2.5
133.02945	1.3
135.04524	5.8
138.44629	1.1
138.67661	1.0
139.07657	3.2
143.03502	3.0
145.10236	1.2
149.04527	1.3
159.11804	2.3
161.02461	3.6
161.04539	1.2
172.08951	1.2
179.03545	3.8
179.05579	6.0
187.11295	35.6
188.11638	2.0
196.96461	1.1
197.04558	2.4
219.13907	7.6
231.10240	1.8
241.26994	1.0
255.36772	1.1
263.12903	31.4
264.13174	1.8
313.07361	1.3
369.14612	1.7
433.30341	1.1
443.15482	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	443.1925
Annotation	Tataroside
Peak:m/z	Relative Intensity
53.64181	0.7
55.01889	1.4
56.27720	0.8
57.03452	3.8
59.01386	60.7
63.30605	0.9
69.03471	1.9
69.77650	2.5
71.01388	56.8
71.05028	5.6
72.01711	0.9
72.99326	3.1
73.02961	3.2
75.00887	3.9
81.03516	1.1
83.01395	2.3
83.05046	5.9
85.02958	9.1
86.88503	0.9
87.00894	2.1
88.04056	0.8
89.02455	27.7
93.03491	5.3
95.01397	2.8
95.05061	1.2
97.02961	3.1
99.00867	1.0
99.04585	1.2
101.02458	17.6
109.02974	1.1
111.04532	1.2
113.02452	10.3
115.04021	0.9
117.03449	0.8
119.03493	8.5
121.06654	1.1
123.08175	2.3
125.02470	2.1
128.03561	1.3
132.02213	7.7
133.02992	1.8
133.06592	1.0
134.03767	9.6
135.03046	1.9
135.04530	1.8
135.08168	1.2
137.02446	1.2
143.03477	1.1
149.06096	2.2
151.07671	6.7
160.01674	34.5
161.02470	5.9
161.04573	3.1
161.06003	1.8
163.07654	5.2
164.80971	0.8
175.04024	38.0
176.04443	1.5
179.03490	1.6
179.05652	6.8
179.07167	2.2
179.10866	0.8
190.02679	0.9
191.03555	0.9
191.07166	1.4
193.05089	13.5
201.12767	0.9
205.05122	1.7
205.12344	1.8
207.13829	0.8
211.23656	0.9
219.13841	1.6
223.06190	1.1
223.09975	1.2
233.11858	8.0
235.13455	5.9
237.06145	4.2
245.11861	6.2
246.24535	0.8
247.13422	3.7
248.10605	8.6
251.12892	7.2
262.12225	1.8
263.12900	64.4
264.13281	5.2
265.14456	15.3
266.14899	1.4
279.12338	1.7
281.13947	22.2
282.14465	1.0
323.15005	4.0
336.69086	0.9
425.18451	0.8
443.19803	100.0
444.19992	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	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33681	0.5
57.03489	0.5
59.01386	100.0
60.01736	1.4
63.55650	0.6
69.17696	4.0
71.01382	3.5
72.99322	1.7
73.02956	9.4
74.84722	0.6
81.03454	1.1
82.95429	8.6
83.01402	2.1
85.02946	1.2
89.02467	1.6
94.42229	0.6
99.04562	1.7
101.02452	7.1
108.02178	1.1
113.02500	2.4
113.45712	0.6
119.05037	0.8
121.03006	0.7
123.04562	2.4
131.03456	0.7
133.03004	0.9
135.04553	4.0
144.69423	0.6
145.03030	1.1
149.04568	1.0
151.04066	2.6
160.35367	0.6
161.02464	3.8
161.04648	2.2
165.01985	1.4
168.73352	0.7
170.54097	0.6
179.03531	1.0
213.05548	0.6
235.04066	1.2
263.03668	1.1
291.03195	1.1
361.16620	2.3
443.08072	1.0
443.19885	0.8
463.69040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78613	6.3
57.03450	14.3
59.01382	100.0
61.98818	7.8
71.01389	33.6
72.99326	9.1
73.02972	13.4
82.34674	6.1
85.02970	10.0
87.00878	8.2
88.90602	5.5
89.02467	16.5
96.96023	5.9
98.22692	16.6
99.04535	9.2
100.31972	5.3
101.02446	16.9
101.21119	6.2
109.02985	17.0
113.02460	12.3
119.03536	9.5
123.04541	7.8
123.08154	5.7
129.89482	4.9
133.03003	6.2
135.04582	29.5
137.09756	7.9
145.02974	21.7
146.03358	11.4
150.03229	37.0
151.04025	10.4
153.03084	6.4
160.01538	6.4
161.02457	15.3
161.04512	9.4
162.02707	6.9
175.02492	5.4
179.03516	9.8
179.05716	7.8
179.10789	10.7
205.12212	6.2
209.06163	16.6
221.11787	15.7
229.38066	6.4
237.05698	13.2
239.13072	5.7
265.05203	19.4
267.07260	6.3
291.06662	8.1
293.04645	10.9
343.10181	5.9
389.10333	22.1
403.19754	15.9
444.15735	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	445.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51999	0.4
59.01384	12.0
65.83389	0.4
70.54359	0.5
71.01393	4.0
71.42384	0.5
72.79820	0.4
73.02924	0.9
85.02953	1.1
89.02447	3.2
95.21117	0.5
96.96024	0.5
101.02459	1.8
109.02973	2.3
113.02459	1.8
119.03544	1.1
121.02967	3.4
122.03782	2.2
123.04546	3.6
128.03526	0.8
133.02930	0.7
135.04567	2.2
138.06795	0.6
145.02948	0.7
146.03525	0.5
147.04556	0.8
149.02455	1.8
150.03239	100.0
151.04031	8.4
152.07170	1.1
152.08400	0.7
153.09245	2.6
159.04593	0.7
161.02457	6.3
161.04494	2.1
162.03157	0.8
179.03481	0.7
179.05661	0.9
181.06673	0.6
190.02728	1.3
197.04594	0.7
205.12329	1.2
209.06094	6.8
210.06752	0.6
211.07603	2.1
219.04517	1.1
220.05348	0.7
221.06139	1.2
222.02184	0.5
223.13374	0.8
227.07126	2.1
236.04845	0.5
237.05594	10.3
238.06033	1.2
239.07100	2.2
241.05043	0.9
247.04001	1.3
248.04639	0.7
249.05544	1.2
255.06668	1.9
263.03583	0.5
263.07190	0.5
264.04321	0.9
265.05078	8.4
266.05554	0.9
267.06638	1.1
283.06091	0.9
291.06537	1.1
293.04590	8.0
293.07617	0.7
295.06152	0.5
311.05756	1.1
319.09769	2.8
321.04208	0.5
343.09894	1.0
345.11258	1.3
361.10852	1.2
371.09158	0.8
373.10822	0.7
385.18832	2.1
389.10333	62.0
390.10696	7.9
401.10403	0.9
435.76947	0.5
445.09186	6.4
445.15381	0.7
445.21884	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97682	0.3
55.01880	0.4
57.03452	0.4
59.01384	2.3
68.99802	0.2
71.01390	3.1
73.02961	0.8
77.35644	0.3
83.01388	0.8
84.95119	0.6
85.02975	1.2
92.02698	0.8
93.03468	11.1
94.03812	0.3
96.99325	0.5
101.02442	2.8
111.64504	0.3
113.02467	0.9
117.03487	0.3
119.05041	100.0
120.05375	3.3
121.02977	0.4
135.04532	0.7
136.01691	0.9
136.22285	0.3
137.02461	20.5
138.02782	0.6
140.46758	0.3
143.03561	0.3
147.04536	0.5
151.04016	0.6
161.02437	0.3
163.04027	41.6
164.04387	2.0
179.03535	0.7
221.04529	0.4
239.05849	0.4
281.06693	30.8
282.07101	2.3
401.12299	1.0
402.11746	0.3
445.11432	23.6
446.11734	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	445.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10045	1.4
59.01391	12.2
59.28242	1.1
61.98820	1.4
62.34329	1.1
66.75858	1.2
69.45145	6.5
71.01402	1.8
72.00914	9.3
74.02479	16.6
87.00903	2.3
96.96005	8.4
101.02409	1.7
108.97232	1.3
111.79529	1.1
112.98819	2.0
116.05075	46.0
129.05878	2.1
130.06644	21.7
130.07574	2.3
131.06903	1.3
133.02969	7.7
134.03738	4.2
135.04539	2.9
142.06638	14.0
144.04578	3.1
146.00194	1.1
150.03224	5.8
157.07733	2.5
159.09303	10.0
161.02460	25.9
179.03447	1.5
186.05713	1.6
193.05035	7.7
203.08295	100.0
204.08534	5.1
208.01506	1.2
213.03490	5.9
219.07756	3.9
241.03894	46.2
241.06070	5.2
242.04172	3.0
259.03986	8.3
268.04135	3.5
289.54474	1.4
314.04578	3.9
389.10294	2.5
445.12564	34.9
446.12994	5.0
449.40396	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	445.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52568	1.3
58.38950	1.5
59.01387	25.8
65.00348	2.0
70.99554	1.6
71.01386	17.1
72.99313	4.2
73.02959	2.5
74.79700	1.3
85.02962	5.5
85.85571	1.3
87.00881	2.4
89.02466	9.8
95.01405	1.6
95.99488	1.3
96.96003	7.7
97.02951	2.7
97.65448	1.3
101.02471	7.0
103.04043	2.9
106.00642	1.6
107.01408	5.1
108.02287	1.2
109.02956	8.3
110.00143	1.4
111.00902	2.7
112.27339	1.3
113.02480	5.9
119.03489	3.2
121.02968	33.5
123.00910	14.5
123.04556	6.8
124.01668	5.9
125.02449	2.0
127.00368	2.2
133.02983	1.8
134.03772	2.1
135.04507	8.4
136.98814	2.7
137.02449	15.4
138.03242	9.1
139.00433	3.6
139.04041	13.1
141.01944	2.0
149.02461	4.3
150.03252	22.7
151.04008	6.4
151.89983	1.4
153.01974	2.4
153.05605	28.8
155.03513	2.2
161.02477	2.8
161.04524	1.9
165.01941	2.1
166.99869	8.7
168.00674	5.8
169.01419	5.0
175.04059	1.7
179.03497	2.7
180.04346	2.7
181.01408	22.5
182.02231	17.1
183.03024	14.6
183.04544	2.0
196.03775	17.6
197.04556	82.4
198.04968	3.3
209.06131	2.8
211.06155	17.9
221.06094	2.0
224.03262	20.0
224.05267	1.7
225.03841	2.1
237.05635	4.0
239.05624	100.0
240.06007	6.0
240.74142	1.5
247.04047	2.6
265.05106	5.8
265.09293	5.6
267.06760	5.2
269.06729	14.3
284.05627	2.5
291.06714	2.1
293.04568	18.2
294.04849	2.3
295.06186	3.1
299.07797	26.2
389.10385	7.1
390.10605	1.8
401.10413	2.6
413.11130	5.5
430.11276	6.1
445.13693	95.1
446.13950	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90806	0.4
55.01900	0.5
57.03460	1.0
59.01384	16.6
66.07742	0.5
70.97400	1.0
71.01389	12.2
73.02976	1.5
83.01395	0.9
85.02966	8.0
85.03465	0.5
87.00935	0.7
89.02455	9.3
89.02946	0.7
94.58799	0.4
95.01408	2.8
99.00888	0.9
99.04513	0.5
101.02465	6.7
103.03989	0.5
109.02988	0.7
113.02467	17.2
117.03482	0.9
119.03529	3.6
119.05018	3.5
121.02982	13.4
121.05104	1.3
123.04551	1.4
125.02466	1.0
132.02191	1.4
133.02974	29.1
134.03520	0.8
135.04541	10.6
143.03534	1.0
149.02461	0.5
150.03244	30.4
151.04025	3.3
155.04237	0.5
161.02467	100.0
161.04611	4.1
162.02803	4.1
179.03506	6.5
179.05623	1.1
209.06088	1.8
211.07600	0.7
227.07098	0.8
237.05664	3.7
265.05002	2.7
293.04483	2.6
299.11374	1.9
319.09723	1.1
345.11160	0.8
361.10645	0.7
389.10336	20.8
390.10669	3.2
412.51767	0.6
426.47751	0.5
445.13226	63.5
446.13708	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	445.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.4
59.01382	10.9
70.23869	0.5
70.37174	0.3
71.01391	7.5
73.02943	1.1
83.01393	0.5
85.02950	1.3
87.00892	0.6
89.02452	9.1
95.01391	0.5
97.02969	0.9
101.02449	7.0
109.02965	0.4
113.02454	4.1
119.03508	5.4
121.02969	100.0
122.03280	3.1
123.04510	0.6
125.02487	3.9
131.03528	1.1
133.02998	0.9
135.04506	0.8
143.03506	1.2
149.04593	0.4
150.03241	14.8
151.03975	1.6
161.02484	4.3
161.04492	1.8
179.05655	2.3
194.13091	0.3
209.06099	1.5
221.06667	2.6
237.05634	1.4
245.06717	0.6
263.07700	1.2
265.05136	1.0
293.04666	1.1
319.09851	0.4
323.09885	2.6
345.11487	0.6
361.10773	0.4
389.10330	9.5
390.10645	1.4
445.13568	3.0
445.19705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01384	6.7
62.11941	1.2
68.99826	3.4
72.43608	1.3
72.99317	8.2
73.02941	2.7
80.15886	1.4
84.99306	6.5
87.00862	4.8
98.22646	4.1
98.71572	1.2
111.00852	1.7
112.98818	64.2
113.99155	1.4
117.03468	4.0
119.05036	100.0
120.05354	2.1
121.02968	2.5
127.00331	1.8
130.99855	1.8
131.05026	1.8
131.24269	1.3
145.02971	20.5
147.04561	14.5
149.06094	1.3
161.06110	4.6
163.04027	80.1
163.11282	1.5
164.04333	3.3
167.10794	7.8
171.04625	2.0
175.04005	14.4
177.05653	1.8
181.12387	1.5
189.05540	1.8
203.03516	46.0
204.03706	1.8
205.05061	2.9
209.11810	7.7
215.03563	8.7
225.38203	1.4
226.05177	1.3
233.04486	2.7
259.02515	2.4
277.03568	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	25.0
67.21435	1.8
68.99816	2.7
70.54552	3.6
72.99319	8.0
77.05572	1.5
81.00919	1.6
84.95117	2.9
84.99329	3.4
87.00889	17.0
87.32352	1.5
89.00661	1.7
93.03482	2.1
103.00381	7.5
111.00915	2.5
112.98823	67.5
117.03472	6.1
118.63918	1.5
119.05042	100.0
120.05361	2.8
121.02966	4.4
130.99884	4.7
131.05002	2.6
133.02925	1.6
135.04524	2.0
143.05022	3.5
145.02957	21.1
147.04543	18.7
161.06136	4.1
163.04034	67.3
164.04335	2.3
167.10797	31.1
172.79785	1.6
175.04036	14.5
196.66124	1.5
203.03522	45.8
204.03799	2.3
209.11832	6.0
215.03552	9.7
221.41481	1.6
259.02481	3.9
277.03540	38.6
299.11371	21.1
358.76468	1.8
384.98407	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31894	4.1
56.85241	4.0
59.01377	14.1
61.09378	4.1
61.98808	4.3
70.87866	5.7
72.99316	11.5
84.95131	9.1
84.99321	6.4
87.00893	14.0
92.35182	4.5
96.97687	4.7
112.98821	54.8
117.03395	6.3
119.05039	100.0
121.02951	12.9
145.02950	24.2
147.04546	12.6
161.02435	14.3
161.06073	4.9
163.04028	99.3
163.11269	5.3
167.10753	9.9
175.03978	15.6
203.03549	56.5
215.03532	10.5
222.50624	4.7
277.03607	42.1
278.03973	6.1
325.27341	4.6
362.28943	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03038	0.7
57.28161	0.7
59.01384	100.0
60.01714	1.2
69.49937	2.4
69.50340	1.8
71.01394	1.8
73.02974	0.9
81.61282	0.7
81.64281	0.7
83.05032	3.0
85.02931	1.8
89.02466	0.8
112.76562	1.0
113.02434	2.7
114.00562	0.8
118.55576	0.9
123.04523	0.9
127.26118	0.9
139.97086	1.0
167.03378	1.4
167.38144	0.8
223.13235	1.0
226.45784	0.9
348.86984	0.9
377.86093	0.8
385.18729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03444	1.4
59.01384	100.0
60.01707	1.3
69.26523	3.7
71.01387	37.9
72.99323	1.7
73.02952	7.3
74.91951	0.7
75.00893	0.9
83.01409	2.2
85.02960	7.0
87.00896	2.9
89.02452	43.4
95.01419	2.5
96.50245	0.7
97.02953	1.6
98.21850	1.6
99.00908	1.0
101.02454	26.9
109.02985	2.2
113.02457	18.2
119.03511	16.0
121.03001	3.2
122.03779	2.7
123.04540	4.1
125.02497	1.9
128.03560	1.7
131.03502	4.6
133.02960	1.3
135.04581	2.8
138.06891	1.4
141.76768	1.0
143.03528	4.2
145.03018	2.8
149.02483	1.9
149.04576	1.4
150.03239	96.5
151.04024	7.6
151.07707	2.1
152.07227	4.9
152.08485	4.5
153.09221	12.7
159.03049	1.7
159.04401	0.9
161.02495	7.8
161.04547	14.5
162.03253	1.2
179.05624	24.5
179.07182	1.3
180.06126	0.9
190.02728	1.2
205.12424	4.3
209.06084	7.6
210.06694	1.0
211.07745	2.7
219.04648	0.8
221.06583	5.4
223.13451	6.1
227.07190	1.7
235.03951	1.0
237.05614	9.3
238.06290	0.9
239.07263	2.6
247.04227	0.9
248.04881	1.1
249.05649	1.2
255.06696	2.9
264.04501	0.8
265.05051	8.7
267.06732	1.4
283.06387	0.9
291.07007	0.9
293.04593	8.4
299.19434	0.7
311.05640	1.4
319.09952	1.8
345.11368	2.5
361.10913	1.2
385.18768	9.2
389.10327	69.7
390.10681	8.3
391.76630	0.8
445.09521	7.6
445.16281	3.1
445.21893	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	445.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
61.81759	0.5
78.95910	5.9
79.49784	0.4
80.35434	0.4
99.82229	0.4
110.98544	4.0
161.70192	0.5
167.01260	2.0
185.02225	4.4
233.79056	0.6
277.21753	100.0
278.22067	9.2
302.91312	0.5
330.94266	0.4
335.65170	0.4
395.45981	0.5
445.23618	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	446.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.1
59.70887	0.5
61.98837	1.2
69.73631	1.7
70.13353	0.5
74.71173	0.4
89.58985	0.5
90.97136	1.4
93.03539	0.6
130.08749	98.1
131.09126	2.6
132.98236	3.5
141.98232	1.1
152.01131	0.7
160.97723	0.9
174.99268	8.6
180.06674	0.7
187.98705	0.6
207.80797	0.5
217.00323	18.2
218.00504	0.6
232.61713	0.5
244.05046	5.0
246.06630	2.4
256.22003	0.6
288.07684	100.0
289.07980	5.0
370.02371	0.5
446.06595	20.3
447.06839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	63.8
59.34180	11.6
61.98824	17.8
84.78580	12.4
92.54079	12.9
105.73273	11.8
106.26867	14.2
109.02969	47.8
133.02934	35.0
135.03677	17.8
135.04512	98.8
145.02956	15.9
145.36696	11.8
149.02470	14.5
161.02438	100.0
179.03488	27.0
180.42108	12.7
239.07332	15.2
243.06647	23.9
250.06433	11.8
267.06702	45.1
293.23352	13.0
295.06070	21.9
310.65115	16.0
311.05731	16.3
313.07114	16.0
447.10733	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	446.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90369	0.4
53.97832	0.4
59.01386	5.2
69.04710	1.9
69.05116	1.1
71.01389	3.2
72.00916	12.3
72.99293	0.7
74.02483	19.9
75.00873	1.2
78.56899	0.4
81.62151	0.4
85.02468	0.4
85.02995	0.4
89.02457	4.4
101.02436	1.5
104.03549	100.0
105.01941	19.5
105.03036	0.5
105.03898	1.6
113.02453	2.0
119.03509	1.4
129.41183	0.4
131.03464	0.4
161.04602	0.6
179.05656	2.7
206.06046	0.5
215.61472	0.4
341.10867	9.8
341.14600	0.8
342.11343	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	446.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45083	4.3
59.01386	56.5
66.07710	5.0
71.01383	11.5
71.23494	4.3
72.99300	14.7
73.02967	25.6
76.67439	4.7
81.30621	5.4
85.02983	5.7
88.98809	10.9
99.04527	96.5
100.09434	4.8
101.02447	7.1
104.79184	5.9
109.02968	100.0
113.02518	8.4
121.02927	5.6
123.04517	15.5
127.39447	5.1
133.02960	21.9
135.04550	78.0
136.04823	10.0
145.02925	10.9
146.11868	5.4
149.02426	6.6
150.03157	7.6
151.04021	12.0
155.03511	5.1
159.04556	16.3
161.02483	44.6
163.79550	4.9
171.35271	4.7
173.02452	6.4
179.03500	21.3
185.02484	60.2
186.03214	10.0
188.91827	5.2
197.04527	14.8
239.07130	5.4
253.05315	7.5
267.06714	16.3
269.08218	8.2
275.07227	4.8
276.04514	5.2
277.05020	13.1
280.03983	6.7
281.08200	7.7
293.08148	23.4
295.06137	80.7
313.07224	6.9
337.07153	13.1
392.49442	5.6
403.11746	10.1
447.10831	22.6
447.22302	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	446.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22308	4.7
59.01387	100.0
60.01721	10.1
69.31163	11.2
69.31578	15.4
71.01397	24.4
72.99297	11.6
73.02934	14.2
75.00880	5.1
77.90603	5.3
79.68246	4.3
81.95290	5.5
83.05003	7.1
85.02937	6.8
89.01951	5.8
89.02480	14.0
93.03447	6.7
96.96041	6.7
101.02441	17.6
109.02980	35.7
113.02439	13.4
119.03506	10.1
121.02953	15.1
133.02951	15.3
135.04515	38.6
137.02429	13.4
147.04471	5.9
150.03214	14.9
151.03969	9.1
159.04495	7.1
161.02483	41.4
162.02774	21.8
168.29147	5.7
171.21468	5.1
179.03505	19.3
179.05579	6.5
185.02434	12.7
197.04462	10.0
223.13463	6.5
223.35567	4.5
223.68562	5.5
266.05612	8.6
281.15891	5.3
295.06113	37.1
313.07214	5.5
327.38223	5.2
446.13821	29.3
446.19656	9.0
447.10532	15.6
447.15686	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25394	16.7
54.59072	15.6
59.01371	68.1
69.13150	100.0
93.64778	14.8
94.76604	14.8
127.64872	15.7
295.06064	17.2
314.51788	17.1
428.43579	20.4
450.07056	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	447.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	70.6
60.01728	1.0
61.52626	0.4
65.94354	0.4
67.26788	0.4
69.16338	2.7
71.01396	1.0
101.02494	0.5
105.01959	1.0
108.02190	4.8
109.02972	4.9
110.46970	0.4
110.65038	0.5
117.82446	0.5
123.04530	1.9
135.04562	0.6
141.00632	0.8
141.01691	3.6
152.01175	8.3
153.01979	4.0
153.05608	1.5
157.03593	6.2
159.01503	1.8
165.05739	0.5
183.01485	0.6
185.01302	0.7
201.02567	100.0
202.02711	8.9
222.99405	0.7
283.02905	20.0
284.03116	2.1
375.20135	0.5
447.05499	0.7
447.11496	11.9
448.11655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21992	0.8
59.01370	2.6
59.01856	0.7
71.01399	0.8
72.99311	6.0
83.90279	0.6
88.98817	1.6
89.02483	1.4
92.77813	0.6
93.03454	2.0
98.11015	0.6
107.88055	0.7
108.02198	3.4
109.02962	100.0
110.03297	3.2
112.29454	0.6
113.02528	0.8
117.03474	1.6
118.87761	0.7
119.05038	1.1
121.02988	5.8
122.03771	0.8
123.04540	11.5
129.03461	1.1
129.69185	0.8
133.02977	1.9
134.03760	1.6
135.04539	14.3
136.04805	0.8
137.02455	2.8
139.04065	1.3
141.03485	1.2
145.02972	7.2
146.03694	1.1
147.04561	8.4
149.02480	2.5
150.03169	1.5
151.04028	9.0
157.02966	7.6
158.03758	1.9
159.04527	15.4
161.02489	2.3
163.04030	2.7
173.02460	15.9
174.03067	1.2
175.04047	3.0
177.01974	2.6
179.03516	4.5
183.04457	1.4
185.02454	76.7
186.03171	15.3
187.03922	2.1
196.05377	0.7
197.04535	6.4
197.06129	1.0
203.03543	1.8
211.07689	0.9
220.05225	1.0
221.06139	3.9
223.07677	0.9
224.04866	2.1
225.05609	3.1
232.05379	1.2
233.06143	1.0
235.04054	0.9
237.05539	2.0
238.06145	1.0
239.07231	2.9
243.06662	0.8
248.04808	1.8
249.05571	8.7
250.06276	2.2
251.03394	1.2
251.07129	0.9
252.04312	1.0
253.05052	5.3
254.05557	0.7
260.04901	1.7
261.05640	1.0
264.04297	1.3
265.05106	3.0
266.05817	4.0
267.06659	12.0
268.07153	0.9
269.08264	5.1
270.08652	1.1
275.07251	1.2
276.04257	1.9
277.05038	11.4
278.05731	5.1
279.03009	2.7
279.06604	2.3
280.03790	5.7
280.07135	1.4
281.08194	6.3
282.08484	0.8
293.04611	4.9
293.08240	17.7
294.05283	3.1
294.08618	2.2
295.06128	79.4
296.06488	6.7
310.18039	2.0
310.36420	0.7
313.07138	2.7
321.04062	3.7
322.18201	1.1
337.07339	3.7
338.45654	0.7
339.05179	1.7
340.19196	1.5
403.11816	12.6
404.12140	1.4
404.19006	8.8
447.10944	13.0
448.11615	1.9
448.18140	3.0
462.83145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.5
71.01395	5.8
73.02959	3.2
85.02966	3.5
85.13346	0.6
86.32903	0.7
89.02451	2.6
95.01421	0.8
99.00890	2.4
101.02448	3.3
101.79654	0.7
108.02187	55.1
109.02985	19.7
110.03318	0.8
113.02443	1.6
123.04552	1.4
133.03020	0.6
135.04553	1.0
139.30118	0.6
139.35695	0.8
151.04010	2.4
152.01169	100.0
153.01944	5.2
154.95581	0.6
161.04561	2.0
163.04039	3.2
177.01878	1.0
192.43864	0.6
197.14386	0.6
213.13564	0.6
231.30551	0.6
271.07950	0.8
297.06192	0.7
315.07098	1.5
329.53589	0.8
340.57288	0.6
403.12445	0.7
447.11456	94.1
448.11792	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	447.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.3
59.11600	0.5
59.74479	0.4
62.80024	0.6
69.74136	1.6
69.74475	0.6
71.01378	5.7
73.02952	2.9
77.86256	0.5
85.02960	2.7
89.02454	1.6
98.21912	0.8
99.00904	2.9
101.02434	2.8
108.02183	52.0
109.02983	16.6
113.02457	2.4
123.04509	1.1
135.04518	0.7
151.04025	1.8
152.01167	90.6
153.01839	4.5
161.04553	1.9
163.04010	2.7
176.70706	0.6
179.03532	1.1
271.08374	0.9
315.07248	0.9
447.11469	100.0
448.11810	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	447.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07866	1.3
58.95630	1.0
59.01388	9.9
67.03590	1.2
69.59222	4.1
71.01374	7.5
72.00916	3.9
72.99297	2.3
73.01268	1.1
73.02955	3.3
74.02493	5.2
83.01405	2.0
85.02974	2.2
87.00864	2.6
89.02431	5.3
94.09352	1.1
94.12869	1.2
99.00872	3.9
101.02464	4.4
104.03549	27.1
105.01946	34.7
105.03882	4.3
108.01463	2.6
108.02184	41.4
108.90190	1.9
109.02981	19.0
113.02461	3.5
117.01968	1.6
123.04532	4.8
125.02471	1.6
133.05113	1.9
134.03755	2.2
135.01704	1.0
135.04546	5.6
149.99567	1.5
151.04050	2.7
152.01163	85.2
152.93689	1.9
153.01917	6.1
153.05595	6.2
161.02458	1.1
161.04562	1.5
163.03998	3.9
168.00778	1.0
176.98151	3.3
179.03487	1.6
184.97665	1.9
190.94321	2.0
191.05637	4.0
197.04637	1.5
202.98660	1.4
234.99710	1.0
271.08441	1.3
276.12543	1.3
289.02371	4.4
315.07169	1.2
342.11276	2.7
349.04376	3.2
403.01270	1.2
447.11450	100.0
448.12085	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1301
Annotation	Siebolside A
Peak:m/z	Relative Intensity
56.40249	0.6
57.03455	0.8
59.01086	0.7
59.01387	12.7
59.54992	0.5
63.32331	0.5
64.01658	0.6
71.01388	3.0
72.99323	3.3
73.02951	1.2
80.28599	0.5
83.01389	0.8
85.02959	1.6
87.00889	0.7
88.98811	2.2
89.02448	1.7
91.01904	14.1
92.02234	0.6
95.01407	1.2
99.00898	0.6
101.02433	2.1
108.02187	24.4
109.02985	11.5
110.03291	0.8
111.00999	0.7
113.02447	1.2
119.03490	0.7
121.02957	4.5
123.00894	4.9
123.04542	1.4
124.01678	1.5
126.48456	0.6
132.02217	1.1
133.02975	15.5
134.03725	1.4
135.00902	12.9
135.04543	16.0
136.04871	1.1
137.02502	3.9
145.02960	0.6
147.04555	0.9
149.02469	1.0
152.01178	20.4
153.01973	7.7
159.04472	0.7
161.02469	39.6
162.02838	2.7
163.04012	3.2
164.04463	0.6
175.04048	0.7
178.02809	0.8
179.03568	4.6
185.02472	0.7
197.04581	2.0
197.06174	1.4
199.07683	1.0
213.05626	0.9
215.07112	0.7
243.06642	100.0
243.19644	2.5
244.06969	6.8
279.05035	1.9
281.08514	0.8
285.07761	6.3
293.08182	0.9
295.05984	0.8
297.06119	2.8
299.09222	0.8
299.99213	1.7
311.05801	0.7
329.98730	0.6
387.24030	1.5
403.11868	2.1
405.24869	3.6
409.12988	1.3
447.05594	0.9
447.11560	2.3
447.26013	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	447.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58171	1.8
55.99155	1.5
58.91464	1.8
59.01373	8.3
69.03462	88.5
69.19337	10.8
72.99307	5.9
73.02913	2.4
76.72301	1.9
79.01899	28.0
81.03452	4.4
88.98823	4.1
93.03459	8.8
96.96021	3.5
97.02959	56.6
101.02435	2.4
107.01398	78.4
107.05102	2.1
108.02207	25.4
109.02979	36.4
113.02473	2.7
121.02959	7.2
123.00879	7.8
123.04552	4.0
125.02460	91.5
125.91292	1.7
126.02773	2.1
127.00348	2.1
133.02966	2.4
134.99916	3.6
135.00908	64.9
135.04532	13.8
136.01614	3.1
137.02452	13.9
145.02942	2.5
147.04456	2.6
149.02452	2.8
151.00380	72.4
151.03949	3.4
152.01181	53.0
153.01967	8.5
157.02864	1.8
159.04605	2.3
161.02434	6.6
163.03992	5.9
173.02399	4.0
176.70074	1.8
177.01926	14.1
179.03491	5.8
185.02438	20.3
186.03122	3.4
197.04570	4.4
225.05576	2.5
242.05876	100.0
243.06622	80.1
244.06860	4.7
249.05251	2.1
267.06461	4.1
277.05017	2.0
281.08090	2.6
285.07645	3.5
293.08133	6.3
295.06137	21.9
299.99075	2.2
321.04111	6.1
339.07272	5.0
403.11945	2.6
410.14719	2.3
447.12805	32.5
448.13016	3.0
448.99460	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	447.1302
Annotation	Siebolside A
Peak:m/z	Relative Intensity
54.55370	0.4
56.03840	0.4
59.01367	1.7
65.00323	0.5
69.18822	2.3
72.17363	0.4
72.99316	0.4
75.70251	0.4
80.02685	0.4
83.05026	0.4
88.98833	0.4
91.01907	16.1
93.03461	0.6
95.01387	0.5
107.01432	0.4
108.02187	22.1
109.02361	0.5
109.02983	7.0
121.02956	1.1
123.00908	4.1
124.01719	0.5
127.00443	0.5
135.00899	12.7
135.04532	1.0
136.01173	0.5
137.02460	4.3
145.02930	0.4
147.04518	0.5
149.02452	0.6
152.01176	15.2
153.01605	0.5
159.04538	0.4
161.02454	0.7
173.02414	0.4
185.02438	1.9
197.06099	1.7
213.05550	0.8
215.07115	0.7
219.97707	0.5
243.06635	100.0
244.06992	7.0
253.12296	0.8
277.05103	0.4
279.02997	0.5
293.05124	0.5
293.08267	0.9
295.06152	2.0
299.99121	1.4
446.95834	0.5
447.06201	0.6
447.12729	2.8
447.19128	0.4
448.13147	0.7
450.02374	0.5
460.61993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1302
Annotation	Siebolside A
Peak:m/z	Relative Intensity
57.03456	28.2
59.01387	28.0
63.70412	1.2
69.03465	68.9
69.84468	1.1
71.01392	2.7
72.99319	2.6
73.02950	1.2
79.01904	39.3
80.02232	1.3
81.03481	3.2
85.02946	1.5
88.98824	1.5
93.03484	1.7
95.01406	3.6
97.02965	36.6
97.03590	2.3
99.04527	25.3
101.02450	5.3
103.94706	1.0
107.01404	79.3
108.02210	12.1
109.02966	15.4
111.22798	1.1
117.03471	0.9
119.92816	1.0
121.02998	8.2
123.00860	5.5
123.04547	1.8
125.02464	56.6
133.02965	3.8
134.03760	1.7
135.00882	3.0
135.04539	9.1
136.01703	6.1
137.02469	9.2
138.02820	1.1
145.02977	2.4
147.04594	1.8
148.70258	1.1
149.02460	3.6
151.00394	65.5
151.03984	1.8
152.01028	4.1
153.01964	16.8
160.90808	1.0
161.02489	9.1
162.59720	1.4
163.04013	8.1
177.01938	13.3
179.03531	2.3
197.06100	6.6
211.13440	2.1
215.07265	1.2
242.05876	100.0
243.06615	61.7
243.10359	1.9
244.07005	2.9
251.42995	1.2
255.06598	1.1
279.05136	8.2
285.07660	4.9
295.06180	2.9
297.06085	9.8
339.07330	11.6
427.64899	1.1
447.12964	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	447.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74529	0.2
56.57262	0.2
62.96422	1.7
69.97207	0.6
78.95914	44.2
86.56370	0.2
86.86172	0.2
88.02265	0.2
96.96980	3.3
98.22028	0.3
98.47613	0.2
101.85948	0.2
109.21225	0.2
123.74622	0.2
126.31563	0.2
128.06912	0.2
140.77487	0.2
149.00119	20.9
150.00517	0.3
151.01637	0.5
158.92564	1.9
159.42412	0.2
159.67087	0.2
164.83598	0.4
170.77142	0.2
178.32509	0.2
179.01183	2.9
205.15999	1.7
232.24385	0.2
240.96681	0.3
267.11636	0.5
282.12949	0.3
299.99115	0.2
304.73828	0.2
315.10986	0.2
347.08325	0.5
417.12463	0.7
431.10349	2.7
432.10794	0.3
447.13483	100.0
448.13800	10.5
464.09753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43523	0.9
59.01385	17.3
65.56300	1.0
70.66620	1.9
71.01387	11.6
72.99314	2.2
73.02962	3.4
83.01401	1.2
84.87830	1.0
85.02972	5.2
88.98877	1.0
89.02464	6.2
93.03493	1.8
95.01440	1.1
96.42457	0.8
101.02461	12.4
109.02984	5.7
113.02473	3.8
119.03499	1.3
121.02972	100.0
122.03307	2.2
123.00884	1.3
123.04539	4.1
131.03532	1.4
133.02969	1.4
135.04544	38.8
135.32198	1.2
136.04895	1.8
137.02469	1.7
143.03546	1.3
145.02962	1.9
147.04535	1.7
150.03261	2.1
151.03990	1.8
153.05614	1.1
161.02448	2.0
161.04582	3.4
163.03999	2.6
163.06139	8.8
167.03482	5.8
173.02472	4.0
179.03484	1.4
181.07196	6.3
185.02406	1.8
186.03165	1.5
197.04575	6.1
205.07184	4.2
205.08969	1.2
209.04544	1.5
211.07718	1.3
251.07260	1.3
267.06708	1.9
269.08353	1.1
277.05103	2.1
285.04068	1.8
295.06113	19.7
296.06250	1.6
325.11423	20.8
447.09976	2.1
447.15186	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	447.1511
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
59.01389	5.3
64.35443	0.3
65.94711	0.3
69.03466	0.3
70.51857	0.5
71.01391	4.5
73.02942	0.4
76.03735	0.3
81.03452	0.9
85.00675	0.3
85.02988	0.5
89.02453	7.2
93.03441	0.5
95.01355	0.3
95.05023	0.8
97.02961	0.6
99.00871	1.5
101.02449	1.5
112.91809	0.4
113.02473	1.0
115.04002	0.7
122.03745	1.2
123.04537	88.0
124.04866	3.4
125.02459	3.5
131.03499	1.3
135.04504	0.4
137.13786	0.3
149.04558	1.5
153.05589	100.0
154.05931	3.7
186.20244	0.3
191.05653	0.9
233.06686	3.6
269.09210	0.3
293.08841	8.1
295.06116	0.5
315.10995	0.4
447.15106	5.2
448.15540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	1.2
59.01382	18.2
69.17619	4.5
71.01388	7.3
73.02939	2.1
78.41644	1.1
83.17371	0.9
83.39400	0.9
85.02971	3.0
89.02450	8.4
92.02700	1.8
93.03470	42.8
101.02448	6.9
109.02991	3.1
113.02484	3.3
119.03487	1.2
121.02957	5.1
123.04552	2.0
135.04546	4.0
136.01672	5.1
137.02460	100.0
138.02831	3.4
145.02971	1.6
147.06699	1.0
150.03259	3.8
151.04039	7.2
153.01909	1.0
161.02466	1.3
165.07721	3.8
167.03566	1.4
173.02504	4.0
179.03511	21.6
186.03177	1.0
205.91466	0.9
209.04594	3.5
237.05605	1.9
239.05556	12.1
251.07182	0.9
269.08249	1.6
277.05188	1.7
281.06714	3.1
295.06155	15.5
296.06485	2.0
299.07828	1.5
447.15198	70.9
448.15387	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	447.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31623	0.6
50.81084	0.6
55.01871	0.8
58.61341	0.6
59.01385	26.1
70.66321	0.7
71.01384	13.0
72.99322	2.1
73.02952	6.9
74.19982	0.7
83.01392	0.7
85.02960	4.6
87.00883	1.7
89.02453	8.2
93.03458	1.9
101.02448	10.9
101.79766	0.7
102.05672	0.7
109.02970	7.0
112.64670	0.7
113.02468	4.3
115.04027	1.1
119.03499	2.7
119.04999	0.8
121.02972	100.0
122.03268	3.7
123.04528	3.3
125.02435	1.0
131.03540	0.7
133.02960	1.3
134.03738	1.0
135.04543	56.1
136.04874	2.4
136.07698	1.0
143.03564	0.8
144.17224	0.8
145.02997	2.5
147.04553	1.1
149.02353	1.1
150.03227	2.1
151.03961	2.6
159.04535	1.6
161.02452	2.7
161.04588	3.4
163.04031	7.2
163.06123	4.3
171.84953	0.6
173.02443	6.6
174.02917	0.8
176.30130	0.7
179.03545	2.1
181.07210	16.7
185.02446	2.3
197.04562	1.6
203.06657	0.8
205.07204	0.9
211.07919	0.8
221.06171	0.8
223.06123	1.8
237.05785	0.8
237.83440	0.6
239.07242	0.9
249.05492	1.8
250.06232	0.9
251.07162	0.9
263.55688	0.7
265.05087	0.9
266.05893	1.1
267.06696	2.5
269.08145	2.5
277.05112	1.7
285.04034	1.0
295.06155	28.3
296.06485	2.4
306.71588	0.8
325.11368	9.3
447.09952	1.1
447.15457	7.9
448.15295	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37719	1.4
53.28325	1.5
54.82725	1.4
55.01859	1.4
59.01383	72.1
69.75307	5.9
71.01396	8.6
71.26496	1.4
72.99300	3.8
73.02950	3.0
85.02967	4.0
90.22337	1.7
92.77742	1.4
93.03469	11.1
99.00899	1.5
101.02435	8.7
105.03517	1.5
109.02953	10.5
113.02445	6.0
116.93859	1.3
121.02946	4.6
122.03761	12.8
123.04546	2.3
127.00420	2.6
131.03514	5.1
135.04562	9.6
136.01660	2.7
137.02477	16.0
149.02444	15.5
150.03238	91.9
151.03557	3.6
152.45340	1.7
161.04530	4.3
164.04797	3.8
165.05582	100.0
166.05902	3.6
179.03532	5.1
180.04256	5.5
185.02454	4.4
195.06641	43.1
196.06946	2.5
197.04523	5.1
197.59816	1.7
277.05109	1.9
281.06757	4.8
290.26227	1.4
293.04376	1.5
295.06158	6.2
315.18161	16.6
316.18570	1.9
321.04022	2.4
335.43259	1.6
357.13632	2.2
399.14374	9.9
413.70093	1.5
447.16589	10.8
447.21829	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	447.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
59.01391	5.4
68.99807	3.9
70.41998	3.0
71.01371	1.7
72.99306	8.8
84.99329	5.5
87.00899	6.2
93.03445	1.9
100.01665	1.4
110.02244	1.4
111.00847	1.9
112.98823	74.0
113.99173	1.1
117.03444	4.1
119.05041	100.0
120.05402	3.0
121.02982	2.5
127.00367	1.2
127.13722	1.4
129.03467	1.3
130.99895	1.8
133.02965	3.0
133.06647	1.5
136.77083	1.0
143.05038	3.0
145.01859	1.7
145.02977	22.7
146.03404	1.5
146.98579	1.3
147.04527	13.9
149.06120	1.2
154.81567	1.0
161.02457	8.0
161.06071	4.4
163.04030	79.0
164.04402	5.4
169.12384	9.6
171.04539	1.9
175.04025	12.9
177.05563	3.1
183.14000	1.2
189.05565	3.1
203.03522	43.8
204.03731	3.3
205.05086	3.1
211.13397	12.3
215.03436	7.0
233.04483	2.6
259.02515	3.0
277.03549	46.1
278.03918	1.6
285.04089	1.4
299.99203	1.6
423.13708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00734	0.3
56.44723	0.3
57.03454	100.0
58.03788	1.5
59.01385	77.1
60.01715	0.9
69.03456	0.7
71.01389	4.7
73.02953	7.8
73.46607	0.3
80.65096	0.3
81.03458	3.9
83.01391	1.6
85.02969	0.6
86.76363	0.3
89.02444	2.0
95.01401	0.4
97.02954	0.6
99.04530	83.9
99.50313	0.3
100.04872	2.3
101.02457	18.0
101.19820	0.3
102.02816	0.4
103.61441	0.3
107.01418	0.4
109.86676	0.3
113.02475	2.1
119.03501	0.6
125.02460	28.9
126.02766	0.9
131.03468	0.5
133.02989	0.5
135.04549	1.5
143.03500	2.7
149.04489	0.6
151.00385	0.6
161.02451	1.4
161.04526	1.3
179.03511	0.5
203.05576	0.3
221.06473	0.3
242.05792	0.6
266.96149	0.3
295.06143	0.6
303.14511	0.5
321.23315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91935	1.0
59.01387	100.0
60.01720	0.9
61.98837	4.6
69.31514	3.4
69.31905	1.5
71.01387	4.2
72.99323	1.1
85.02969	2.3
89.02463	2.5
101.02458	3.4
109.02964	3.9
121.02943	1.7
135.04538	3.6
135.76070	1.1
150.03198	1.0
159.04474	1.3
161.02455	1.2
161.04552	2.4
185.02478	2.0
189.12862	2.7
192.78316	1.0
207.13860	3.3
212.37331	0.9
265.04865	1.0
290.34216	1.0
295.06146	5.2
387.20224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01729	0.8
69.15950	3.5
69.67204	0.6
70.40171	0.6
71.01381	8.2
74.35127	0.6
81.23650	0.6
83.15271	0.6
85.02986	1.8
89.02451	13.8
101.02452	4.0
104.65441	0.6
113.02486	2.9
117.67872	0.7
119.03519	5.5
131.03525	0.7
143.03488	1.7
149.04689	0.6
159.81992	0.6
161.04594	1.6
167.03662	0.7
179.05620	9.4
336.21011	0.8
370.75473	0.7
392.28214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32370	0.3
70.63332	0.5
76.74766	0.3
78.95911	5.6
83.04993	0.4
91.12928	0.3
93.68002	0.3
105.42418	0.3
110.98546	4.4
149.47758	0.3
167.01195	2.0
173.03461	0.3
185.02226	3.7
208.97589	0.7
225.00810	0.9
256.21228	0.3
279.23328	100.0
280.23639	8.0
301.07132	0.4
317.96588	0.3
356.41882	0.3
447.25244	5.8
448.25797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2607
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
55.01860	1.0
57.03450	1.3
58.00611	0.9
59.01388	38.7
64.04021	0.7
69.03466	1.1
70.98228	1.2
71.01389	18.5
72.99326	2.1
73.02951	4.9
75.43018	0.7
82.17371	0.7
83.01402	2.8
85.02976	6.7
86.00114	0.9
87.00894	5.3
88.98785	1.0
89.02456	2.9
95.01368	0.9
97.02950	1.2
99.00904	1.7
99.08136	1.7
101.02478	8.7
109.02979	0.7
111.00885	1.6
113.02477	4.3
124.01753	1.5
125.02451	1.9
127.11356	0.9
133.02971	2.0
135.04532	4.0
143.03490	1.1
161.02455	6.7
179.03537	1.8
197.19160	1.2
211.13452	1.1
214.98830	0.7
225.18651	3.4
227.20148	0.8
243.19676	47.1
244.20107	3.0
255.19737	1.1
257.21161	1.2
285.20663	0.9
299.99194	2.0
338.05042	0.7
387.23938	23.4
388.24329	2.1
394.48056	0.8
405.24997	57.3
406.25272	5.3
447.26059	100.0
448.26343	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	447.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
57.03450	1.3
58.00611	0.9
59.01388	38.7
64.04021	0.7
69.03466	1.1
70.98228	1.2
71.01389	18.5
72.99326	2.1
73.02951	4.9
75.43018	0.7
82.17371	0.7
83.01402	2.8
85.02976	6.7
86.00114	0.9
87.00894	5.3
88.98785	1.0
89.02456	2.9
95.01368	0.9
97.02950	1.2
99.00904	1.7
99.08136	1.7
101.02478	8.7
109.02979	0.7
111.00885	1.6
113.02477	4.3
124.01753	1.5
125.02451	1.9
127.11356	0.9
133.02971	2.0
135.04532	4.0
143.03490	1.1
161.02455	6.7
179.03537	1.8
197.19160	1.2
211.13452	1.1
214.98830	0.7
225.18651	3.4
227.20148	0.8
243.19676	47.1
244.20107	3.0
255.19737	1.1
257.21161	1.2
285.20663	0.9
299.99194	2.0
338.05042	0.7
387.23938	23.4
388.24329	2.1
394.48056	0.8
405.24997	57.3
406.25272	5.3
447.26059	100.0
448.26343	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	447.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	34.1
71.01392	15.7
72.99310	3.2
73.02933	1.7
83.01388	2.0
85.02972	3.6
87.00875	1.9
88.98785	2.4
89.02460	14.7
95.01439	1.7
101.02455	11.0
108.02183	2.1
109.02960	9.4
113.02464	4.2
117.85321	1.3
119.03527	3.4
133.02988	13.9
135.04546	4.3
151.04068	2.2
154.02737	2.1
161.02449	40.3
162.02881	1.7
172.53825	1.7
179.03535	2.1
185.02478	5.0
186.03212	1.5
221.19289	2.0
227.89125	1.5
239.20244	1.7
243.06616	10.2
267.19861	1.5
269.93967	1.4
281.04596	1.4
285.20758	37.4
286.21109	2.3
293.07886	2.1
295.06177	4.1
299.99271	2.5
313.07169	3.8
321.04263	1.4
385.60666	1.5
447.09619	5.7
447.26056	100.0
448.26285	12.1
469.77322	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2757
Annotation	Xenortide B
Peak:m/z	Relative Intensity
59.01399	1.3
69.74639	3.3
76.27207	0.8
117.03484	40.2
118.04325	6.3
119.05044	50.3
120.05399	1.5
121.02964	9.4
123.04562	2.5
125.54477	0.8
133.02994	2.3
133.06529	0.8
145.02971	64.6
146.03291	2.3
162.03261	2.2
163.04018	15.8
177.05617	6.6
182.85854	0.8
197.13860	0.8
269.21262	1.4
299.99136	7.5
301.00204	1.7
325.52444	0.8
415.25153	6.6
447.05826	3.3
447.27563	100.0
448.27893	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	448.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56082	1.3
59.01385	32.0
60.66975	1.2
61.98837	100.0
64.44176	1.2
68.40676	1.2
70.63438	2.3
71.01383	3.9
72.99316	6.9
73.02963	1.4
80.45013	1.2
85.02959	4.7
89.02454	4.5
101.02467	3.7
109.02962	8.8
110.03290	1.6
113.02412	1.6
119.03502	2.7
121.02975	1.7
123.04520	4.1
133.02925	4.2
134.03761	2.6
135.04538	31.1
136.04857	3.8
137.02496	1.4
151.03958	2.1
154.01503	2.4
159.04425	1.5
161.02492	12.6
173.02548	1.6
179.03473	8.9
180.03819	1.3
185.02428	3.9
186.02861	2.7
197.04515	6.1
295.06180	2.8
296.06476	4.3
385.11377	7.8
448.11182	1.3
449.20178	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	449.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.8
60.99021	1.1
60.99315	13.9
69.54003	3.4
69.54346	1.1
71.01402	4.3
71.54385	0.9
72.99322	13.1
73.02989	1.0
85.02963	2.1
88.98817	100.0
89.02459	1.7
93.03475	4.3
97.02974	0.8
101.02453	2.7
107.05036	1.4
109.02974	5.1
110.47216	0.8
112.90417	0.9
113.02439	1.9
115.04012	1.0
117.03454	3.2
119.05054	2.8
121.02978	2.0
123.04543	7.1
125.02450	1.8
133.02969	8.8
134.03819	1.7
135.04544	26.2
136.04861	3.4
137.02463	9.4
145.02930	4.3
161.02464	63.0
162.02783	4.0
163.04041	2.2
165.01942	2.8
179.03511	11.5
180.03928	1.0
197.04576	17.6
198.04993	1.5
205.05164	1.8
224.94342	1.1
235.06190	0.9
238.31491	0.9
265.07156	1.3
267.03110	1.2
267.06854	1.0
285.04321	1.5
296.06229	1.4
307.08548	1.1
321.04126	1.6
359.07773	18.7
360.08105	3.0
431.60077	0.9
449.27451	3.0
453.25604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15691	2.0
56.62251	2.0
59.01376	7.8
60.99311	10.9
69.13326	11.2
71.01422	2.6
72.99289	4.0
84.17289	1.9
88.98817	62.7
97.96092	1.9
98.21874	4.6
112.98829	15.9
125.09352	2.3
133.02977	8.0
134.03773	18.6
135.04541	5.2
137.02458	100.0
138.02806	3.7
161.02470	29.2
164.75981	2.1
175.03912	3.1
179.03612	2.8
193.05017	11.8
197.04547	3.6
199.59061	2.1
233.04599	5.9
267.06638	5.9
307.04630	9.8
311.05682	4.2
351.24341	2.1
359.07605	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	449.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99309	15.2
72.99317	11.3
86.98689	1.5
88.98816	100.0
89.99142	2.2
101.76002	1.4
109.02966	3.1
111.26041	1.4
123.04539	5.1
133.02980	9.3
135.04550	9.0
161.02464	69.7
161.87825	1.3
162.02892	2.6
168.87410	1.3
179.03514	9.6
197.04582	16.7
257.66187	1.5
258.90945	1.4
280.28815	1.5
359.07819	16.4
402.32227	1.4
405.13306	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	449.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35550	0.2
57.73627	0.2
59.01376	0.6
60.96307	0.2
60.99305	0.4
62.33860	0.2
63.63065	0.2
67.09906	0.2
71.01376	0.2
72.38902	0.2
72.99309	0.2
81.03491	0.3
86.96313	0.2
87.56217	0.2
88.98806	1.8
93.03460	0.4
98.22681	0.4
108.02179	0.8
109.02975	2.1
121.03001	0.3
132.02153	0.2
133.02971	2.6
134.03723	0.3
135.04543	1.8
136.01646	1.1
137.02460	100.0
138.02806	3.0
139.04059	0.3
145.02979	0.5
149.02475	1.3
150.03288	0.4
159.04565	0.4
160.90079	0.2
161.02466	8.6
162.00851	0.2
162.02855	0.4
174.03209	0.4
179.03539	1.2
193.06581	0.3
196.05357	0.2
197.04539	0.3
202.02736	0.2
209.06143	0.3
211.07649	0.5
221.06029	0.2
237.05649	0.4
238.06546	0.2
239.07161	0.7
249.05507	0.4
250.06349	0.7
255.06544	0.2
264.09415	0.2
265.05127	0.3
266.05869	0.5
267.06644	12.5
268.07086	1.3
269.04663	1.0
283.06186	1.2
298.77896	0.2
302.61862	0.2
308.32303	0.2
311.05646	6.7
312.06024	0.5
359.07767	0.4
430.56061	0.2
449.25635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74895	0.1
59.01370	0.5
60.99302	0.3
72.99310	0.2
81.03462	0.2
81.90723	0.1
87.00884	0.1
88.98820	1.8
91.01927	0.2
93.03469	0.4
96.96028	0.2
108.02178	0.5
109.02966	1.5
112.98821	1.0
117.03462	0.3
119.01389	0.2
121.02941	0.4
122.77596	0.1
132.02151	0.2
133.02971	2.9
134.03772	1.7
135.04523	1.0
136.01665	0.8
137.02457	100.0
138.02794	3.5
145.02977	0.4
149.02461	1.9
149.06125	0.2
150.03259	0.3
160.01694	0.2
161.02460	13.4
162.02769	0.7
174.03250	0.2
175.04053	0.2
179.03534	1.0
183.10207	0.1
193.05043	0.8
193.85963	0.1
197.04509	0.2
201.01878	0.2
209.06157	0.1
211.07680	0.4
224.14250	0.1
233.04594	0.4
237.05586	0.2
238.06534	0.1
239.07053	0.2
249.05516	0.2
249.26355	0.1
250.06332	0.3
255.06581	0.1
265.05197	0.1
266.05991	0.3
267.06647	6.2
268.07089	0.6
269.04605	0.5
278.26160	0.1
283.06094	0.6
299.05652	1.9
307.04657	0.6
311.05661	3.2
312.05865	0.2
359.07773	0.3
408.95355	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	449.1505
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01407	0.9
62.96416	30.1
66.99697	0.8
78.95913	63.0
80.97480	33.4
88.98836	2.0
108.09624	1.0
114.25423	0.9
118.80279	0.9
129.37723	0.9
135.04547	1.4
149.00104	16.5
161.02449	1.7
164.61522	1.0
179.01140	1.1
194.18173	0.8
204.29381	1.1
205.15974	9.4
242.98286	5.5
285.12802	2.1
355.16830	18.5
385.17859	23.2
385.22220	0.8
386.18182	2.8
397.45911	1.0
449.15048	100.0
450.15436	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	449.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39679	0.3
54.65894	0.3
55.01885	0.6
57.03465	1.5
59.01374	0.9
59.43089	0.2
68.99809	0.8
69.03463	0.5
70.70238	0.4
70.70567	0.4
71.01392	1.6
72.99314	0.5
73.02956	4.0
75.00871	0.9
83.01390	3.4
85.02963	2.4
86.00108	3.8
87.00908	0.7
92.02728	0.6
93.03469	31.0
94.03790	0.7
95.01419	1.8
99.00889	3.8
101.02446	3.0
111.00895	5.8
113.02461	10.9
123.00885	0.7
129.01970	1.1
129.66902	0.3
133.54697	0.3
135.04573	0.6
136.01671	0.6
137.02461	100.0
138.02818	2.6
139.11295	0.4
141.01941	3.0
141.12883	0.3
151.04013	1.1
159.03020	0.5
167.10788	0.8
169.12366	3.6
179.03539	0.6
180.67166	0.3
187.13405	0.6
209.04543	4.7
211.13457	0.5
221.04575	0.3
239.12923	0.7
395.83563	0.3
449.18219	34.2
450.18512	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	449.1822
Annotation	Oligandriortholactone
Peak:m/z	Relative Intensity
55.01873	1.1
56.46770	0.3
57.03458	1.6
59.01387	4.7
68.99813	0.9
69.03467	0.8
71.01391	3.9
72.99311	1.2
73.02950	5.1
75.00890	1.1
83.01387	3.3
85.02958	4.1
86.00104	3.3
87.00894	0.7
88.98811	3.5
89.02455	1.1
92.02700	1.3
93.03467	33.8
94.03815	0.8
95.01390	2.0
97.02950	0.6
99.00889	3.4
101.02448	4.6
108.02198	0.3
109.02971	0.7
110.63415	0.3
111.00897	6.0
113.02460	11.2
113.03267	0.5
121.03031	0.5
123.00908	0.7
129.01961	1.1
131.32109	0.3
133.02997	0.6
135.04533	1.6
136.01695	1.5
137.02461	100.0
138.02783	2.7
139.11292	0.4
141.01959	2.3
151.04005	1.3
159.02997	0.8
161.02470	2.6
161.04587	0.4
167.01712	0.6
167.10829	1.1
169.12328	2.8
179.03510	2.2
187.13406	1.0
197.04597	0.7
209.04552	3.4
211.00824	0.4
211.13467	0.4
213.11324	0.5
221.04597	0.7
224.19307	0.3
239.05626	0.6
239.12880	0.5
281.06763	0.5
293.14038	0.4
359.07523	0.5
381.77927	0.4
449.18204	43.0
450.18457	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	449.1823
Annotation	Oligandriortholactone
Peak:m/z	Relative Intensity
55.01876	1.6
57.03447	1.2
59.01128	0.5
59.01391	7.9
60.99313	1.2
61.07690	0.5
61.69967	0.3
68.99828	1.0
70.48112	0.6
71.01395	9.7
72.99311	4.7
73.02956	4.9
83.01391	2.8
85.02963	7.0
86.00111	0.5
87.00895	0.9
88.98815	6.6
89.02467	0.5
92.02684	3.3
93.03472	22.9
94.03788	0.5
95.01418	1.3
96.99294	1.0
99.00884	1.6
101.02453	11.4
108.02170	1.0
109.02956	2.8
113.02460	4.7
119.41309	0.5
121.02982	1.8
123.04534	1.6
133.02975	1.0
134.03783	1.0
135.04550	7.8
136.01671	3.0
136.04884	1.1
137.02463	59.7
138.02820	1.9
147.04549	0.8
149.09816	0.5
161.02454	5.1
161.04535	1.2
163.03935	0.7
167.10773	0.6
177.05585	0.7
179.03529	4.0
180.03859	0.5
181.05064	0.5
185.02417	0.6
186.02885	0.4
191.03545	0.5
197.04561	5.1
198.05016	0.6
221.04529	1.4
279.03024	0.6
281.06857	2.0
321.04199	1.3
322.04657	0.6
339.05069	0.6
359.07831	1.1
449.18204	100.0
450.18503	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	449.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48801	0.3
55.01875	0.4
57.03445	1.0
59.01383	2.6
60.99313	0.8
68.99834	0.7
69.03452	0.8
71.01383	3.3
71.41064	0.3
72.99321	1.7
73.02953	4.6
75.00875	0.9
79.91676	0.3
80.78158	0.2
83.01395	3.0
85.02963	3.4
86.00105	2.2
87.00904	0.7
88.98816	4.0
89.80964	0.3
92.02673	0.5
93.03469	33.7
94.03798	0.9
95.01397	2.5
97.02946	0.3
99.00906	3.0
101.02448	3.8
108.02212	0.4
109.02955	0.7
111.00891	6.6
113.02460	11.5
114.02831	0.4
123.00909	0.9
123.04574	0.7
129.01971	0.8
133.02980	0.7
135.04539	3.1
136.01680	0.9
137.02458	100.0
137.54207	0.3
138.02789	3.9
139.11278	0.7
139.40558	0.3
141.01979	2.3
151.04004	1.4
151.11328	1.0
159.03014	0.4
159.04410	0.4
161.02469	3.6
167.10788	0.4
169.12312	2.2
179.03522	2.3
180.03865	0.4
185.02425	0.4
197.04590	1.2
209.04538	4.3
211.13475	0.6
213.11403	0.5
239.05580	0.5
239.12891	0.7
292.36966	0.3
293.13702	0.4
321.04187	0.5
323.57874	0.3
359.07855	0.8
363.15469	0.3
435.56198	0.4
449.18195	47.4
450.18591	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	449.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36666	0.4
57.03455	100.0
58.03803	1.1
59.01386	87.3
60.01720	1.3
60.99331	0.7
64.44611	0.4
71.01386	3.2
73.02966	1.2
81.03463	4.3
82.65010	0.4
83.01403	1.3
85.02967	1.9
88.98808	3.5
89.02469	0.6
89.47176	0.4
95.01416	0.4
99.04531	84.5
100.04865	1.7
101.02451	15.1
103.68868	0.4
113.02464	1.9
117.03463	1.1
119.05026	0.6
124.07701	8.3
125.02463	27.3
125.08057	0.5
126.02764	0.6
133.03003	0.8
134.06154	0.7
135.04515	1.6
143.03531	1.3
145.02963	1.7
161.02463	4.4
161.04494	1.0
162.05640	1.0
163.03969	0.7
163.06389	1.1
179.03473	1.5
197.04582	0.4
243.15004	1.0
263.14984	3.1
287.14044	13.7
287.22217	1.0
288.14191	1.2
301.15668	0.6
305.15820	0.9
329.15164	2.5
359.07523	0.5
386.42249	0.5
389.25122	0.5
407.26312	0.6
449.27591	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	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98458	0.2
55.01883	0.5
57.03457	0.5
59.01386	100.0
59.22109	0.2
60.01720	1.2
64.99754	0.2
71.01393	6.9
71.43964	0.4
72.99320	2.4
73.02948	1.7
83.01392	1.2
85.02960	2.9
87.00874	0.3
87.61211	0.2
89.02450	2.3
93.03470	0.4
95.01412	0.6
97.02937	0.3
99.00891	0.5
101.02449	5.7
107.05078	0.3
108.02209	0.5
109.02968	1.9
110.03324	0.3
113.02461	2.5
119.03521	0.8
123.04540	1.4
134.03761	1.0
135.04544	19.1
136.04877	0.5
137.02509	0.7
143.03526	0.4
145.03171	0.3
151.00412	1.6
151.04080	0.3
152.01137	0.8
159.02985	0.6
159.04601	0.5
161.02568	0.6
161.04573	5.1
163.82635	0.3
167.03528	0.8
179.03572	2.8
179.05687	0.5
197.04578	2.7
261.77899	0.3
269.08331	0.9
281.06729	0.4
287.05695	1.1
329.15976	0.3
389.21875	16.4
390.22168	1.9
449.11798	1.0
449.24371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2551
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
59.01389	0.9
61.90317	0.6
69.31491	0.6
88.98826	1.1
95.98329	0.5
97.01131	0.6
117.03476	1.2
132.02173	0.9
133.02223	0.5
133.02969	18.6
134.03793	6.5
135.04547	32.3
136.04861	1.0
137.02475	1.7
151.28757	0.7
161.02469	100.0
162.02788	3.9
178.02704	0.7
179.03535	9.6
180.03880	0.7
257.27402	0.7
269.00851	0.5
274.85547	0.5
282.47116	0.6
287.22336	9.3
289.48660	0.6
293.73972	0.6
431.24384	3.7
432.24692	0.9
449.25485	65.7
450.25775	8.3
468.48932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2762
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
53.93297	0.5
55.01876	1.2
57.03445	1.8
59.01386	21.9
60.99303	1.6
66.57253	0.4
66.60911	0.5
67.01908	0.6
71.01392	11.0
71.43166	0.5
72.08217	0.5
72.99326	2.8
73.02955	3.9
83.01385	2.6
85.02962	5.0
87.00887	1.7
88.98818	9.6
89.02452	2.5
93.03477	0.9
93.96467	0.4
95.01385	0.9
97.02999	0.7
99.00883	1.3
99.04528	1.7
99.08192	0.7
101.02457	6.9
111.00883	2.6
113.02460	3.5
119.03497	0.7
119.05038	1.0
121.56610	0.4
123.04520	0.6
125.02431	0.8
133.02953	1.7
135.04550	4.1
137.38179	0.5
141.12929	0.9
161.02454	9.2
162.02827	0.6
163.04036	0.9
173.00914	0.8
173.04572	1.4
179.03543	1.8
197.04558	1.3
241.21863	0.6
269.21210	3.1
287.22321	29.6
288.22583	2.4
308.33508	0.5
314.86642	0.5
359.07776	1.8
389.25558	0.7
420.13959	0.6
431.26563	2.6
449.27618	100.0
450.27957	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	449.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93297	0.5
55.01876	1.2
57.03445	1.8
59.01386	21.9
60.99303	1.6
66.57253	0.4
66.60911	0.5
67.01908	0.6
71.01392	11.0
71.43166	0.5
72.08217	0.5
72.99326	2.8
73.02955	3.9
83.01385	2.6
85.02962	5.0
87.00887	1.7
88.98818	9.6
89.02452	2.5
93.03477	0.9
93.96467	0.4
95.01385	0.9
97.02999	0.7
99.00883	1.3
99.04528	1.7
99.08192	0.7
101.02457	6.9
111.00883	2.6
113.02460	3.5
119.03497	0.7
119.05038	1.0
121.56610	0.4
123.04520	0.6
125.02431	0.8
133.02953	1.7
135.04550	4.1
137.38179	0.5
141.12929	0.9
161.02454	9.2
162.02827	0.6
163.04036	0.9
173.00914	0.8
173.04572	1.4
179.03543	1.8
197.04558	1.3
241.21863	0.6
269.21210	3.1
287.22321	29.6
288.22583	2.4
308.33508	0.5
314.86642	0.5
359.07776	1.8
389.25558	0.7
420.13959	0.6
431.26563	2.6
449.27618	100.0
450.27957	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	449.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11164	0.5
55.01869	1.5
57.03442	0.9
59.01386	21.1
60.99312	1.0
69.03474	0.7
71.01386	10.1
72.99332	1.5
73.02950	5.4
81.03497	0.6
83.01403	2.9
84.12608	0.5
85.02967	5.6
87.00867	1.8
88.98814	7.7
89.02460	2.0
95.01388	0.7
97.02903	0.8
99.00895	1.0
101.02462	6.4
109.02923	0.9
110.03297	0.6
111.00902	0.7
113.02452	2.6
114.23674	0.5
117.18587	0.5
119.03505	0.7
123.04562	0.9
124.07722	2.5
125.02498	0.7
133.03020	0.8
135.04514	3.5
155.14452	0.5
161.02455	6.4
162.05635	0.6
163.06366	0.8
179.03552	1.1
185.02350	0.6
186.02946	0.5
195.52878	0.5
197.04584	1.4
243.15060	0.9
245.11864	1.6
269.04495	0.6
269.21231	1.5
287.14072	5.4
287.22287	25.3
288.14337	0.5
288.22696	1.3
329.15091	1.4
359.07822	1.2
407.26462	0.7
431.26508	3.7
449.27600	100.0
450.27945	11.0
468.16815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.2
59.01381	34.8
59.36347	2.4
61.98822	7.4
71.01393	8.3
72.99321	4.7
73.02955	12.0
74.03314	3.0
75.00851	2.4
83.01396	4.2
85.02962	9.5
87.86153	2.2
89.02450	3.5
93.03474	36.0
94.03806	8.9
95.01397	3.0
96.48380	2.5
99.00871	4.0
101.02464	8.0
111.00877	6.2
113.02471	17.3
114.02827	2.5
135.04553	16.6
137.02460	100.0
138.02777	27.9
141.02010	3.1
148.01743	4.2
161.02464	5.1
179.03467	13.9
207.02997	5.1
217.12236	3.1
218.12723	4.4
230.09518	2.8
231.10030	2.9
245.11824	12.3
246.12202	10.0
273.26434	2.6
390.16415	5.2
408.17386	4.0
440.54556	2.6
446.50137	3.0
449.18185	8.9
450.18552	45.3
451.19244	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	450.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23242	1.5
59.01382	32.8
59.06549	1.7
61.98837	100.0
63.32721	1.6
69.50208	7.9
71.01396	5.9
73.02991	1.6
77.54927	1.7
80.55490	1.7
85.02956	4.0
89.02465	4.7
96.64883	1.9
98.21875	1.8
101.02451	6.1
113.02464	3.1
119.03514	2.0
207.10229	2.2
299.57269	1.8
308.33041	1.7
322.76389	2.0
387.16635	47.8
388.17206	4.2
451.22015	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	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	73.2
60.01721	7.6
61.01799	8.8
61.98836	100.0
70.47620	1.6
70.47949	1.7
71.01395	7.2
73.02945	2.2
80.13553	1.3
83.01375	3.0
84.99480	1.4
85.02951	6.9
86.19858	1.4
89.02466	5.4
97.02987	1.2
101.02446	7.9
113.02433	3.3
117.35006	1.4
119.03565	2.8
120.47117	1.6
121.03051	1.7
125.02425	9.1
126.02826	2.2
135.04555	7.9
136.04929	1.5
136.27240	1.4
140.17067	1.5
143.93446	1.4
145.02959	2.6
145.40221	1.4
147.83282	1.4
153.01987	1.7
158.71233	1.4
161.04539	2.0
165.02003	1.9
166.02283	1.5
169.01447	3.3
179.03496	1.7
189.13647	1.6
208.14272	1.7
259.06125	3.9
260.06482	6.2
269.04553	4.4
270.04944	8.0
287.05585	2.2
288.06049	2.5
347.17023	4.1
355.17566	1.8
415.19385	1.8
450.11392	6.4
450.20465	1.7
451.21686	17.4
469.41876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93764	0.5
57.03463	1.1
59.01387	5.1
60.01723	0.6
61.98835	100.0
69.15807	3.4
71.01393	2.6
72.99319	2.2
73.02968	0.8
77.20295	0.5
85.02956	1.2
90.34283	0.6
93.03477	0.9
98.21880	1.2
101.02463	1.1
113.02472	0.5
125.02496	0.9
134.03793	1.2
135.04536	17.2
136.04872	7.3
137.02473	1.5
153.01952	3.7
154.02707	0.8
161.04578	1.1
162.04948	0.6
168.04362	1.3
179.03494	2.9
180.03909	1.7
197.04645	2.4
198.04999	1.5
244.03729	0.6
270.08527	0.7
281.06680	1.1
335.70755	0.7
390.21460	1.9
406.99121	0.5
428.89072	0.6
450.12955	1.1
451.13083	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	451.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20637	0.4
57.03430	0.7
59.01381	4.0
61.98839	0.7
69.03460	1.9
69.10733	0.4
71.01383	2.1
73.02946	0.7
81.03482	0.8
83.01393	1.5
83.16210	0.5
85.02945	1.1
89.02454	1.0
93.03463	8.6
94.03801	0.6
95.01424	1.9
97.02962	2.5
101.02451	1.9
107.01405	1.7
108.02195	0.7
108.56332	0.5
109.02917	0.8
111.40362	0.5
113.02441	1.5
121.02962	1.3
123.00900	7.3
123.04560	0.7
124.01676	21.1
125.02460	39.5
125.23837	0.6
126.02771	1.3
134.03658	0.6
135.04529	1.7
136.01659	1.1
137.02460	16.2
138.02760	0.6
139.04025	7.7
143.03505	0.5
149.99597	36.4
151.00435	2.4
151.03998	0.5
152.28059	0.5
167.03522	1.2
168.00659	61.1
169.01407	5.6
179.03511	1.2
183.73764	0.5
191.03569	0.6
196.40045	0.5
197.43605	0.6
227.16579	0.9
249.92612	0.5
271.15512	0.6
281.06644	5.4
311.07645	3.3
313.05701	3.4
330.23688	0.5
331.06717	9.9
398.76501	0.6
433.07666	2.8
451.08847	100.0
452.03433	0.9
452.09216	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	451.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70383	0.3
59.01382	0.4
66.17761	0.3
69.03462	1.7
71.01385	0.4
81.03468	0.7
83.01405	1.2
85.02966	1.0
93.03468	36.7
94.03802	1.3
95.01405	1.2
97.02989	1.8
101.02473	0.4
107.01400	1.0
108.02191	0.9
109.02968	1.4
113.02446	0.7
117.03541	0.4
117.21541	0.4
120.30743	0.3
121.02966	0.9
122.00155	0.5
123.00896	7.5
123.04485	0.9
124.01679	17.8
125.02463	34.6
126.02782	1.3
136.01698	0.8
137.02460	57.2
138.02803	1.9
139.04016	0.6
149.02423	0.5
149.99603	33.8
151.00368	2.5
151.04028	0.5
159.78302	0.3
161.02519	0.8
166.99876	0.3
167.03516	1.4
168.00655	68.5
169.01427	8.8
179.03537	0.7
182.15001	0.3
183.04645	0.6
193.01555	0.3
211.02563	0.7
227.03539	5.1
269.06644	1.0
313.05682	19.3
314.06079	1.1
331.06723	38.0
332.07062	1.8
433.07574	0.4
451.08847	100.0
452.09219	10.7
452.13919	0.3
461.01385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98631	0.7
69.03454	1.7
70.74693	1.1
83.01383	1.0
85.02934	0.9
89.86348	0.8
92.10384	0.7
93.03467	36.1
95.01394	1.6
97.02970	0.9
104.87684	0.8
107.01383	1.3
108.43694	0.7
109.02986	1.2
121.02950	1.1
123.00904	7.7
124.01683	19.0
125.02460	37.1
137.02460	63.3
138.02785	1.9
149.02568	0.9
149.99603	33.3
151.00264	1.7
161.02351	1.0
167.03572	1.0
168.00659	78.0
169.01401	8.9
211.02393	1.1
227.03496	4.7
261.90268	0.8
269.06827	0.7
294.14856	0.7
311.35025	0.8
313.05682	20.3
314.05899	1.0
331.06723	41.4
332.07156	2.2
411.25778	0.9
433.08020	1.1
451.08865	100.0
452.09174	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	451.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25463	0.5
58.40161	0.5
59.01382	1.0
69.03446	0.8
69.24618	2.7
71.01383	4.2
73.02947	1.5
79.01910	0.9
80.37400	0.6
81.03448	1.3
85.02981	2.7
91.01917	0.7
96.99329	0.8
101.02456	2.6
107.01403	1.7
108.02185	40.9
109.02963	49.9
110.03325	0.9
111.00880	0.8
113.02451	2.2
123.00869	0.7
123.04581	1.0
125.02437	1.0
135.00900	2.0
135.04523	1.2
137.02437	0.8
151.04054	1.4
152.01166	49.3
153.01956	60.5
154.02286	1.9
154.96007	0.5
161.04578	0.6
163.03999	1.6
185.71185	0.5
195.02998	2.1
225.04019	1.1
250.02240	0.6
297.06189	10.3
315.07239	11.0
316.07425	0.7
341.97409	0.5
390.90601	0.6
397.73038	0.6
407.09808	17.1
408.10086	1.3
433.07840	0.9
451.08850	100.0
452.09125	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	451.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.2
59.01387	8.2
68.99818	1.2
70.79887	1.7
71.01382	3.1
71.76636	0.8
72.99325	3.7
75.00884	11.1
75.02587	1.4
83.01395	3.2
84.99311	1.8
85.01036	1.9
87.00887	1.1
89.02406	1.4
97.82238	0.7
98.59838	0.7
99.00883	3.1
99.02625	1.2
99.99775	1.1
101.02464	1.7
103.00392	5.1
106.99892	0.8
108.89504	1.6
108.90215	25.1
111.00819	0.8
112.98822	24.9
113.99178	0.8
115.00421	1.6
115.02089	1.5
117.01965	1.8
118.51694	0.8
124.98874	1.7
127.00396	0.9
129.01965	1.8
133.94182	0.7
137.10185	0.9
139.64412	0.8
142.99768	0.8
143.01576	2.7
145.01440	20.7
146.01714	0.8
171.01007	4.7
211.01001	1.2
225.01389	0.7
231.03206	20.5
255.00063	1.1
263.05853	4.0
301.24805	0.8
303.01697	5.1
303.05042	1.4
359.04327	5.9
391.07004	6.1
409.24200	0.8
419.06448	2.2
451.09073	100.0
452.09589	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	451.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03980	1.0
52.78590	1.0
55.05321	1.0
59.01392	8.8
70.19079	1.1
71.01389	4.5
71.38989	1.6
72.99305	3.5
75.00878	12.0
83.01403	1.5
84.99277	1.1
87.00861	1.5
89.02441	3.0
99.00890	2.6
101.02441	2.4
103.00397	7.6
108.90197	2.2
110.93498	1.0
112.98814	14.0
117.01966	1.4
124.50840	1.0
129.01938	1.8
143.01613	2.3
145.01431	2.0
147.23474	1.0
150.94824	1.8
171.01053	1.1
192.95911	1.2
194.92842	1.1
230.99142	0.9
231.03186	26.0
231.05388	2.1
263.05804	8.2
292.96219	1.0
292.99881	1.4
303.01730	5.7
303.04822	1.3
305.07437	1.5
335.04150	2.1
336.96710	1.5
352.92245	2.0
359.04318	4.5
391.04553	3.3
451.09094	100.0
452.09561	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	451.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.4
61.98817	0.7
69.29465	2.9
70.89722	0.5
71.01392	3.9
72.99272	1.7
73.02938	0.9
81.03380	0.7
82.00565	1.6
83.01379	1.0
85.02957	3.3
89.02426	1.5
92.02664	2.1
93.03470	19.4
95.01353	1.6
95.99503	0.5
96.99310	1.3
97.02941	0.8
101.02464	3.4
108.02149	1.4
109.02930	1.5
110.00085	7.2
111.00887	1.0
113.02476	3.1
119.03514	0.6
123.00906	1.3
123.04509	0.9
124.01704	3.7
125.02460	11.9
134.03764	0.7
135.04550	5.1
136.01669	2.7
136.04892	1.4
137.02464	33.7
137.99619	8.2
138.02769	0.8
139.00401	8.1
140.01125	0.6
147.04546	0.9
149.02449	0.6
149.99623	6.2
151.00398	1.2
151.04008	1.1
152.01213	0.7
153.01956	100.0
154.02748	11.3
155.03496	1.5
161.02475	0.7
161.04570	1.0
163.04086	0.9
165.04144	0.6
167.03529	1.9
168.00671	9.5
168.04305	33.8
169.01399	1.2
169.05049	6.7
179.03554	2.0
191.03636	0.5
197.04578	0.9
209.04704	1.0
281.06702	25.4
282.07248	1.8
303.95142	0.6
313.06003	0.7
331.06931	1.4
419.10214	0.8
433.08179	0.8
451.13095	49.8
451.22635	2.8
452.13318	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	451.1251
Annotation	Catechin-4-ol 3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
59.01387	4.4
61.98817	0.7
69.29465	2.9
70.89722	0.5
71.01392	3.9
72.99272	1.7
73.02938	0.9
81.03380	0.7
82.00565	1.6
83.01379	1.0
85.02957	3.3
89.02426	1.5
92.02664	2.1
93.03470	19.4
95.01353	1.6
95.99503	0.5
96.99310	1.3
97.02941	0.8
101.02464	3.4
108.02149	1.4
109.02930	1.5
110.00085	7.2
111.00887	1.0
113.02476	3.1
119.03514	0.6
123.00906	1.3
123.04509	0.9
124.01704	3.7
125.02460	11.9
134.03764	0.7
135.04550	5.1
136.01669	2.7
136.04892	1.4
137.02464	33.7
137.99619	8.2
138.02769	0.8
139.00401	8.1
140.01125	0.6
147.04546	0.9
149.02449	0.6
149.99623	6.2
151.00398	1.2
151.04008	1.1
152.01213	0.7
153.01956	100.0
154.02748	11.3
155.03496	1.5
161.02475	0.7
161.04570	1.0
163.04086	0.9
165.04144	0.6
167.03529	1.9
168.00671	9.5
168.04305	33.8
169.01399	1.2
169.05049	6.7
179.03554	2.0
191.03636	0.5
197.04578	0.9
209.04704	1.0
281.06702	25.4
282.07248	1.8
303.95142	0.6
313.06003	0.7
331.06931	1.4
419.10214	0.8
433.08179	0.8
451.13095	49.8
451.22635	2.8
452.13318	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	451.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65832	2.1
57.03452	97.9
59.01383	100.0
61.98835	5.8
71.01378	13.8
71.05039	1.9
71.40691	2.3
73.02925	4.9
75.50600	2.1
85.02958	5.6
89.02454	6.6
96.96037	7.5
99.04523	70.3
101.02448	23.5
108.02163	3.4
109.02936	2.5
113.02441	4.1
119.03534	3.1
119.05009	2.2
123.04528	2.6
123.08138	2.7
125.02468	27.2
133.02934	3.0
135.04529	4.8
137.02422	3.7
145.08679	4.2
161.02435	3.4
161.04578	2.1
165.01955	5.7
176.87691	2.1
179.03575	2.0
221.10358	4.9
271.15454	4.5
289.07266	6.3
289.16647	4.6
365.14636	2.3
403.42514	2.2
442.64615	2.5
451.08484	3.6
451.21875	62.5
452.21866	5.4
452.50052	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	451.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51340	1.7
57.03456	100.0
59.01386	87.3
61.12770	1.7
66.25043	1.8
69.74493	2.7
69.74859	5.9
71.01396	7.9
81.03458	4.0
81.06821	1.8
85.02976	3.9
89.02458	5.2
94.71891	1.6
96.96038	3.4
99.04533	82.3
100.04885	2.7
101.02464	23.5
113.02466	2.5
115.04036	2.1
125.02456	28.9
135.04544	2.4
137.02507	2.1
143.03539	3.8
161.04579	3.7
179.03482	2.4
209.08205	14.8
215.91757	1.6
221.10332	3.2
271.15442	4.7
444.96448	1.8
451.08939	3.2
451.21887	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	451.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.0
69.00134	1.8
71.01395	5.1
72.99323	5.5
73.30586	1.8
77.52808	1.7
84.99330	7.3
85.02955	2.3
87.00900	4.6
89.02464	3.6
89.03999	2.2
101.02471	6.5
103.71069	1.8
108.06037	1.6
112.98836	83.6
113.99171	2.0
117.03477	5.8
129.97340	1.7
130.99930	2.2
134.03764	100.0
135.04552	6.3
141.12907	3.2
143.10803	17.8
149.06122	16.4
156.96320	1.9
157.12366	6.4
160.01689	6.3
161.02452	5.1
162.03214	5.9
162.95117	2.0
163.03938	2.1
175.04060	8.0
176.04814	2.7
177.05583	2.2
178.02705	6.8
185.11826	15.0
190.02769	4.2
191.07057	3.0
193.03316	3.3
193.05086	67.6
194.05383	3.3
202.02602	2.4
205.05066	5.0
207.06570	2.0
233.04543	21.9
245.04794	2.0
281.31674	2.3
307.04663	26.6
337.88214	2.0
421.45801	2.0
451.29330	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	451.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26568	0.5
61.98830	0.7
62.40816	0.5
66.41873	0.5
69.17973	1.7
69.18380	1.2
73.84663	0.5
96.71485	0.5
98.21870	1.1
109.02981	0.6
118.05803	0.4
129.68147	0.4
130.39969	0.5
132.02179	1.7
133.02972	28.6
134.03311	1.1
146.03763	1.8
149.02406	2.3
150.03252	4.4
159.04549	0.9
161.02461	100.0
162.02795	4.0
172.05325	0.6
174.03226	3.3
175.04012	1.5
176.04971	0.5
200.04832	2.1
217.12303	0.8
218.05797	0.9
229.35164	0.5
245.11821	5.9
246.12273	0.7
253.12248	0.6
269.20093	0.5
271.13470	1.3
289.14471	5.6
363.16302	0.6
407.18765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1978
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
55.01876	1.2
57.03458	0.6
59.01390	6.9
59.78801	0.5
60.43517	0.3
60.87412	0.3
62.86892	0.4
68.99823	0.8
69.28503	1.0
69.28890	0.7
71.01392	7.5
72.99323	0.6
73.02951	3.7
75.00881	0.5
83.01400	2.8
85.02958	6.0
87.55068	0.4
89.02451	0.7
92.02675	3.0
93.03468	19.5
94.03785	0.5
95.01389	1.7
96.99326	1.1
97.24507	0.4
99.00891	1.1
101.02454	9.9
108.02178	0.6
113.02467	3.5
121.02972	1.5
136.01692	2.8
137.02460	55.6
138.02800	2.0
147.04614	0.6
161.04651	0.6
163.03897	0.6
178.70436	0.4
191.03491	0.5
221.04552	1.1
281.06622	1.5
300.77667	0.4
364.40955	0.4
385.23102	0.4
392.33286	0.4
423.96185	0.4
451.19781	100.0
452.20120	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	451.1979
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
55.01891	1.3
57.03457	1.1
59.01386	8.1
67.17675	0.4
68.99835	0.8
69.63915	1.9
71.01389	9.3
73.02956	4.3
81.99720	0.4
82.96966	0.5
83.01392	3.2
85.02959	7.0
86.00114	0.6
92.02685	3.3
93.03469	25.8
94.03812	0.6
95.01395	2.5
96.99299	0.6
99.00883	1.2
101.02455	10.4
108.02203	1.0
111.00915	0.7
113.02441	3.7
118.24442	0.5
121.02971	1.9
131.05101	0.5
135.04535	1.1
136.01707	2.4
136.27499	0.5
137.02461	68.2
138.02782	2.0
139.17796	0.4
147.04549	0.7
161.04625	0.6
163.03981	0.6
179.03555	0.6
221.04552	1.2
270.74255	0.5
281.06717	1.3
451.19772	100.0
452.20157	11.7
452.25046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1979
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
55.01883	1.6
57.03447	0.9
58.34781	0.2
59.01390	7.0
59.18440	0.2
63.94463	0.2
68.99827	0.7
69.03472	0.2
69.24965	0.4
69.25275	1.2
71.01392	10.0
71.03119	0.2
71.35818	0.2
72.01711	0.2
72.99310	0.3
73.02956	4.8
75.00895	0.3
83.01397	2.9
85.02959	7.4
86.00108	0.5
87.00872	0.5
89.02463	0.6
91.11452	0.2
92.02693	3.4
93.03469	18.9
94.03802	0.3
95.01390	1.5
96.99323	0.9
97.02938	0.3
99.00887	1.6
101.02455	9.9
102.02856	0.2
108.02190	0.8
113.02463	4.7
119.05073	0.2
121.02962	1.8
125.02426	0.3
135.04489	0.3
136.01680	3.5
137.02461	54.8
138.02797	1.9
142.46910	0.2
143.03522	0.3
147.04546	0.8
159.03006	0.3
161.04582	1.2
161.05797	0.3
163.04037	0.4
169.12450	0.2
177.05624	0.3
179.03616	0.2
191.03484	0.5
213.88838	0.2
221.04559	1.7
281.06711	1.6
451.19785	100.0
452.20139	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	451.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03448	0.5
58.97910	0.3
59.01386	15.7
68.99817	0.4
71.01389	10.9
72.99323	0.4
73.02954	2.0
75.02769	0.2
80.84085	0.2
83.01408	1.6
85.02956	3.9
87.00881	0.3
89.02456	7.0
92.02695	2.1
93.03468	24.0
94.03804	0.6
95.01391	1.4
96.99329	0.7
97.02942	0.4
99.00878	0.5
101.02461	7.9
108.02197	0.6
113.02464	4.5
119.03525	1.9
121.02978	0.9
125.02444	0.3
131.03510	0.2
133.02946	0.4
134.57751	0.2
135.04541	0.7
136.01680	2.8
137.02461	80.7
138.02820	2.7
143.03548	0.4
151.04103	1.3
161.04584	0.5
163.04010	0.6
169.12369	1.1
179.03525	8.7
191.03520	0.6
209.04514	1.5
210.05045	0.3
221.04553	1.6
239.05641	6.4
240.06230	0.3
281.06693	2.5
451.19778	100.0
452.20099	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	451.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54344	0.8
51.94658	0.8
54.53924	0.8
55.01865	0.9
57.03441	2.2
59.01387	100.0
60.01720	1.3
69.24935	2.5
69.25349	2.8
71.01388	15.6
72.99311	3.9
73.02950	11.5
81.17221	0.9
83.01402	4.5
85.02946	5.3
87.00880	2.9
89.02467	3.7
93.03486	2.6
95.01387	1.2
97.02952	1.2
99.00903	1.9
101.02450	11.4
109.02923	1.8
110.42400	0.9
110.65636	0.8
111.00885	1.1
113.02464	6.3
116.14283	1.0
119.03516	2.8
119.05028	2.6
123.04540	1.5
133.02974	1.3
135.04543	12.0
137.02463	3.8
147.08167	1.3
149.09741	1.7
161.02460	2.9
164.08484	1.2
177.09250	1.3
179.03474	3.4
188.12065	0.9
189.09267	3.8
189.12877	1.1
190.09894	1.1
191.10805	2.5
197.04520	3.2
201.12869	1.7
203.10835	2.6
203.14395	3.9
204.11519	2.2
205.12360	1.2
213.09081	0.9
216.11557	1.6
217.12300	3.0
219.13919	13.1
229.12300	1.6
231.10318	1.4
231.13928	2.3
232.11049	6.7
233.11771	1.0
233.15575	2.2
243.13945	1.6
245.11766	1.5
245.33607	0.9
247.13405	45.5
248.13693	2.2
250.60184	0.9
257.15329	1.4
271.13324	2.7
273.14911	1.2
274.12088	1.1
287.12912	4.2
289.14502	4.6
301.14417	2.0
331.15414	2.5
376.15100	1.2
391.17722	10.2
392.17819	1.6
409.18509	3.2
451.09088	1.1
451.19574	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	451.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01385	30.2
60.84739	0.8
61.98840	1.4
64.83813	0.8
69.90524	0.8
70.89651	1.5
71.01388	9.0
71.20406	0.7
73.02951	3.4
83.01416	2.4
83.22855	0.8
85.02937	4.3
87.00896	1.3
89.02451	2.1
95.01393	0.8
99.00908	1.3
101.02448	9.3
109.02979	1.1
111.00944	1.4
113.02512	3.8
115.04023	26.1
121.08484	0.8
135.04559	0.9
155.10847	1.0
172.08189	0.8
253.14401	1.5
289.16571	2.0
433.20807	3.9
451.21884	100.0
452.22098	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	451.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36882	0.1
57.54261	0.1
58.02977	0.4
64.74833	0.1
69.20620	0.6
70.21301	0.1
80.05063	0.3
81.03466	8.3
82.03814	0.2
82.06644	0.5
83.05036	25.1
84.05376	0.7
88.98834	0.2
93.83830	0.1
98.21935	0.2
100.07685	0.3
107.06164	0.8
108.04552	1.0
116.12843	0.1
125.07229	3.0
126.05653	0.6
135.04556	0.2
137.02383	0.2
139.00404	0.1
143.08270	1.6
157.13448	0.2
159.74959	0.1
181.17044	0.1
184.66408	0.1
199.18175	0.1
207.15045	3.3
208.13559	0.2
208.15392	0.3
224.17699	4.7
225.16104	11.9
226.16479	0.8
240.23563	0.1
242.18742	1.5
250.15717	0.3
268.16544	0.2
281.06723	0.2
281.32782	0.1
290.22354	0.3
307.23938	0.4
308.24179	0.1
309.21872	0.5
324.23041	0.2
324.26578	2.0
325.26767	0.3
333.22974	4.2
334.23135	0.4
339.27615	0.2
341.29190	0.1
347.94595	0.1
351.24112	1.1
352.24368	0.1
361.74301	0.1
367.27225	1.3
368.27618	0.1
385.28299	0.3
406.30872	0.1
433.31882	5.6
434.32117	0.7
451.32935	100.0
452.33249	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	452.2788
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
78.95914	19.9
84.81184	0.7
99.06261	0.6
122.00192	1.1
140.01242	5.5
152.99620	1.2
194.90799	0.7
196.03842	9.8
201.87059	0.6
214.04909	2.7
236.87257	0.8
255.23326	100.0
256.23657	7.4
298.19174	0.7
452.27859	22.1
453.28009	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.8
65.14345	1.2
69.24749	5.2
69.25159	2.7
71.01378	9.6
72.99316	4.1
73.02955	2.0
80.33938	1.3
81.03455	2.2
81.91561	1.3
85.02969	5.5
89.01376	1.3
91.05544	2.4
93.07095	1.6
93.48533	1.3
96.96012	3.9
99.00900	1.7
101.02443	2.9
107.05029	5.7
108.02188	98.1
109.02979	75.7
110.03305	2.6
113.02454	3.4
120.99690	1.8
123.04536	2.7
133.02986	1.9
134.03761	2.7
135.04538	14.1
137.06120	4.1
151.04027	3.4
152.01170	100.0
153.01953	32.9
154.02354	1.6
161.02415	6.7
163.04033	1.6
165.01942	1.9
179.03568	7.1
185.02422	2.1
197.04553	3.6
279.02872	2.2
293.04703	1.9
315.07303	24.9
321.03995	3.4
329.38556	1.7
423.13141	4.8
426.19101	1.7
430.81564	1.6
435.12979	42.7
436.13214	3.9
453.14059	89.9
454.14404	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	453.2135
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01893	1.5
58.00577	1.0
59.01387	57.7
64.31628	0.9
69.63734	3.2
71.01387	18.1
73.02953	18.9
83.01393	4.9
83.05005	1.5
85.02961	8.0
89.02474	8.7
92.90720	0.9
92.94353	1.0
95.01409	1.7
97.06581	2.3
98.21899	1.2
101.02451	20.0
111.48177	1.2
113.02458	7.2
119.03517	2.4
155.80493	1.2
161.04588	1.6
174.97366	1.0
187.14888	2.9
231.13907	25.8
243.50670	1.0
249.15039	6.9
281.33282	0.9
339.94357	1.1
382.98300	1.0
393.19189	6.9
411.20264	54.1
412.20648	5.4
419.09827	1.0
453.21353	100.0
454.21750	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	453.3017
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
54.26220	0.3
54.31297	0.4
59.85657	0.4
61.98812	0.4
66.60917	0.3
69.25983	1.6
74.53383	0.3
84.49885	0.4
100.11877	0.3
109.54102	0.3
117.76554	0.3
210.16502	0.4
267.22400	0.4
377.28381	0.9
379.30042	0.8
389.28580	0.5
391.30020	0.5
407.29791	0.9
409.30719	0.7
435.28806	0.4
453.30151	100.0
454.30518	15.7
459.27328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3379
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
61.98843	3.9
62.47518	2.9
63.37585	3.0
69.17611	6.3
69.18019	15.9
70.06145	4.1
72.46906	3.1
98.22578	8.5
99.23113	3.6
215.58099	3.1
339.43634	3.6
453.27713	6.6
453.33771	100.0
454.34131	10.5
470.96063	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	453.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05175	0.3
67.70500	0.3
69.70245	1.2
74.20243	0.3
79.21346	0.3
97.06580	0.7
151.08244	0.4
183.25694	0.3
188.00983	0.4
192.10457	0.3
254.89178	0.3
287.80432	0.4
304.54630	0.3
407.33344	1.7
453.33789	100.0
454.34134	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	454.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	63.4
59.05685	1.8
67.01843	1.8
69.29683	10.4
71.01388	7.6
72.99331	4.3
73.02951	7.8
89.02457	2.9
94.98100	6.4
96.96025	100.0
101.02444	5.0
113.02469	3.6
123.04549	2.5
133.02922	3.5
135.04543	19.4
145.03003	2.3
161.02452	14.1
161.55211	1.9
175.04056	2.4
179.03513	5.3
180.04002	2.1
197.04512	4.9
220.53333	2.1
266.05835	1.9
267.06763	2.1
380.27554	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	454.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02911	1.0
55.25526	1.1
55.52844	1.0
61.98837	100.0
63.73954	1.0
69.73730	4.1
75.29375	1.2
95.47856	1.1
159.43140	1.0
173.33119	1.1
258.52158	1.0
287.13834	1.3
455.31604	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	454.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40224	0.6
59.01364	1.0
61.98837	100.0
69.37857	3.1
72.99321	1.6
78.36296	0.7
88.69758	0.7
99.92661	0.9
133.02966	1.6
134.03839	1.1
135.04581	1.6
151.04097	1.2
160.01636	0.8
161.02443	7.7
175.04082	1.4
178.02734	0.8
179.03600	1.1
215.95374	0.7
293.10449	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	455.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.6
69.29883	3.0
69.30235	6.8
72.99316	100.0
87.00845	1.4
97.06601	11.7
116.65114	1.6
121.03017	7.2
123.04516	4.7
132.02200	2.4
133.02972	28.3
134.03740	6.9
135.04532	9.0
137.02460	1.8
159.04582	1.9
161.02470	96.5
162.02797	1.9
172.05292	3.8
173.06070	3.5
174.06740	2.0
175.04076	2.9
175.07657	4.5
178.02733	6.9
179.03528	4.5
187.07677	32.0
190.06398	9.2
201.05595	2.2
201.09322	2.8
202.06281	6.5
203.10760	2.6
204.08084	2.0
205.08754	3.4
209.52292	1.5
213.09245	6.9
215.07181	2.8
219.10307	28.5
220.10565	2.0
231.10271	19.0
257.08096	1.9
275.09311	12.0
293.10333	95.1
294.10577	5.0
314.35229	1.4
447.06445	1.7
455.13370	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.6
66.26874	1.0
69.28020	2.8
69.28426	2.9
71.01387	2.8
72.99314	75.6
73.02951	2.6
83.01404	1.1
96.69617	0.9
96.96025	7.9
97.06598	7.3
101.02433	1.4
119.03525	1.0
121.02966	5.2
122.03749	2.4
123.04535	5.6
132.02191	1.8
133.02974	26.8
134.03809	5.7
135.04535	13.7
137.02412	1.5
137.63824	0.9
146.03723	1.3
150.03265	1.6
151.04076	1.0
158.03659	1.3
159.04451	1.6
159.08154	1.5
161.02461	100.0
162.02812	4.4
162.06747	1.5
163.07678	2.1
169.41238	0.9
172.05305	3.8
173.06058	3.0
175.04047	1.8
175.07639	2.9
176.04765	2.0
178.02734	3.9
179.03503	7.2
187.07646	25.4
188.07997	2.3
190.06372	4.4
191.10739	1.7
197.04546	2.0
200.04831	1.5
201.09258	4.3
202.06442	5.6
202.07997	1.0
203.07079	1.8
203.10860	2.8
205.08643	3.2
213.09250	6.8
215.06956	2.1
219.10278	19.3
231.06696	1.2
231.10277	14.4
257.08182	4.6
275.09299	13.5
276.09497	1.2
293.10342	90.1
294.10669	5.3
455.13522	3.7
455.23077	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	455.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31273	0.3
51.80597	0.4
59.01386	5.9
71.01385	1.2
72.99316	41.3
73.02945	1.8
73.99677	0.4
80.14227	0.4
83.01424	0.4
85.02940	0.5
89.02454	0.4
94.98113	0.4
96.96021	1.7
97.06596	1.8
99.92594	0.4
101.02457	1.4
113.49532	0.4
119.03463	0.4
121.02980	2.5
122.03764	1.1
123.04530	1.9
132.02176	1.8
133.02972	29.2
134.03796	3.4
135.04543	11.4
136.04945	0.7
137.02466	0.8
139.04083	0.5
143.53270	0.3
146.03738	2.1
147.04521	0.9
148.05331	0.7
149.02478	1.8
150.03239	7.6
150.04379	0.6
151.04021	3.7
158.03737	1.0
159.04472	2.0
161.02461	100.0
162.03241	24.6
163.03812	1.1
172.05313	1.1
173.06119	0.9
173.09782	0.6
174.03267	4.1
174.06851	0.6
175.03883	0.7
175.07791	0.5
176.04820	0.6
177.09222	1.0
178.02750	3.4
179.03516	5.4
180.03818	0.7
184.05467	0.4
184.79620	0.3
185.09779	0.4
187.04056	2.6
187.07622	2.2
188.04861	0.6
191.10796	2.4
192.04285	1.0
193.12340	0.5
197.04593	0.8
197.06149	0.8
201.05525	0.7
201.09290	3.4
202.06361	0.8
203.10799	3.7
205.08733	1.5
205.12347	1.3
206.09486	0.6
213.09224	4.5
214.09564	0.6
215.07156	1.3
216.07942	1.3
218.09448	0.8
219.10271	18.4
220.10634	1.4
221.11777	0.6
229.08661	0.8
231.10266	10.0
233.60722	0.4
247.09763	1.5
249.11385	4.1
257.08179	0.7
265.10794	0.5
266.55286	0.4
275.09244	4.1
293.10339	61.2
294.10657	4.1
319.08270	0.6
455.13480	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29258	0.4
57.03444	0.8
59.01384	11.9
61.62038	0.3
69.15456	1.2
69.15861	0.7
71.01389	1.9
72.99315	48.6
73.02940	2.1
80.91685	4.8
83.01397	0.3
83.05063	0.3
85.02975	0.3
89.02459	0.9
93.03446	0.3
94.98109	0.5
96.96019	3.5
97.06586	0.4
99.04513	0.7
99.92585	1.5
100.93365	0.4
101.02436	1.8
105.03474	0.5
107.05077	0.4
109.02943	0.7
113.02448	1.1
116.55634	0.3
119.03506	0.3
121.02975	0.9
122.03740	1.0
123.04529	1.2
132.02161	2.1
133.02971	29.4
134.03824	3.0
135.04543	14.5
136.01697	0.4
136.05347	5.1
137.02449	0.8
138.03215	0.9
146.03830	0.4
146.43956	0.3
148.05310	4.4
149.02481	1.3
150.03235	1.8
151.04039	4.0
158.03740	0.3
159.04527	2.4
159.08163	0.3
160.01720	0.6
161.02460	100.0
162.02786	4.8
162.06909	1.6
163.11346	0.4
164.04761	0.4
169.26675	0.3
172.05319	1.3
173.06085	0.5
173.09749	0.5
174.03191	0.4
174.06871	2.6
175.07587	0.6
176.04842	0.8
177.09271	0.8
178.02698	1.8
179.03519	8.0
179.05205	0.5
180.04079	0.9
180.05696	0.4
183.21477	0.3
187.04033	0.9
187.07664	5.2
191.10788	18.6
192.11159	1.2
195.02913	0.3
197.04568	0.6
201.05606	0.3
201.09236	3.2
202.06400	1.5
203.10789	13.2
204.95894	0.4
205.08835	0.7
213.09262	2.6
215.95287	0.4
216.07942	0.5
216.95967	0.5
219.10281	8.1
219.94778	0.7
220.10635	0.4
229.08643	0.3
231.06714	0.3
231.10277	6.5
232.10599	0.3
232.95474	0.5
233.15512	0.8
241.96927	0.3
247.09808	1.4
249.11142	0.5
251.16455	1.4
257.08252	1.7
258.44733	0.3
260.95129	0.5
275.09283	11.7
276.09613	1.1
276.34814	0.3
293.10336	69.0
294.10721	5.0
295.06061	0.3
309.48969	0.3
311.45303	0.3
373.09531	0.4
395.20493	0.7
413.22055	1.4
455.13547	3.1
455.22702	2.8
456.14310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58723	0.4
57.03455	0.4
59.01377	3.5
69.83551	1.5
71.01395	0.7
72.99316	44.6
74.08633	0.4
81.51563	0.4
84.66051	0.4
88.57959	0.4
96.96024	1.5
98.22538	0.7
99.92598	0.4
101.03883	0.4
105.03499	0.4
113.02476	0.6
122.03750	1.3
123.04532	1.7
132.02194	2.3
133.02979	27.8
134.03784	2.4
135.04558	10.5
136.05336	8.3
137.02574	0.4
138.03247	0.5
139.11116	0.4
142.94995	0.5
146.03783	0.5
148.05330	5.8
149.02533	0.5
150.03282	1.3
151.04036	4.8
159.04538	3.0
160.01642	0.6
161.02469	100.0
161.54549	0.4
162.02780	3.8
162.06853	1.4
173.06192	0.6
174.06886	2.6
176.04860	0.7
177.09239	0.8
178.01427	0.5
178.02780	2.8
179.03535	6.4
187.03989	1.1
187.07707	0.7
188.04991	0.5
191.10817	22.6
192.11150	1.0
195.03020	0.5
196.03777	0.6
201.09195	0.9
202.06416	0.6
203.10811	15.5
204.11224	0.5
213.09265	1.0
215.95160	0.5
219.10289	8.4
220.10745	0.5
231.10286	5.5
247.09918	2.0
249.11131	0.4
265.10706	0.6
275.09274	6.7
276.09439	0.5
293.10342	71.7
294.10684	5.1
370.23877	0.4
448.06927	0.4
455.13403	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	455.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62282	0.5
59.01382	4.8
63.65820	0.4
69.83431	1.4
71.01362	0.5
72.99314	40.7
73.02943	0.8
77.01142	0.4
85.02966	0.4
90.93536	0.4
94.06458	0.5
96.96013	0.9
97.06598	0.5
101.02445	0.8
105.03463	0.7
121.02962	1.0
122.03742	1.0
123.04549	1.4
124.36002	0.5
132.02161	1.2
133.02971	26.0
134.03841	2.8
135.04536	8.9
136.05328	6.3
137.02480	0.9
138.03256	0.7
147.04506	0.5
148.05327	5.3
149.02429	1.2
150.03241	1.5
151.04045	6.6
159.04521	2.4
160.01611	0.5
161.02458	100.0
162.02795	4.2
162.06870	1.9
164.04887	0.8
172.05215	0.4
174.06883	1.5
176.04779	0.9
177.09201	1.0
178.02802	2.3
179.03519	5.9
180.04007	0.6
187.03973	0.7
191.10796	21.7
192.11163	1.2
201.09200	0.9
203.10802	14.7
204.11183	0.6
205.08665	0.8
213.09244	1.0
219.10274	8.0
220.10431	0.6
231.10289	5.0
247.09888	2.1
265.10901	0.9
275.09293	5.9
276.09387	0.7
293.10342	75.3
294.10678	4.8
340.24628	0.4
455.13489	2.2
455.22556	1.4
456.14056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	2.2
55.01847	2.7
57.03437	6.1
59.01385	36.7
61.12226	2.0
68.99828	2.3
69.03473	2.2
69.12048	14.7
71.01392	23.8
71.04998	2.6
72.99299	8.2
73.02944	4.8
78.95969	2.6
79.95761	2.4
83.05013	2.6
85.02953	5.4
87.00890	3.4
88.09381	2.0
89.02439	13.5
95.01369	5.7
96.96024	57.4
99.00890	2.5
101.02447	7.5
109.02965	10.1
111.04460	2.2
113.02450	8.8
119.03510	8.9
119.05070	2.5
121.06612	3.2
123.04515	5.0
123.08193	4.8
124.01661	2.3
133.02985	4.9
135.04555	13.8
136.01640	4.4
137.02484	5.0
137.06052	3.7
138.26831	1.9
139.00378	3.2
139.04008	2.3
139.07616	2.2
145.02957	2.3
147.08154	3.3
147.27448	2.3
149.06062	3.7
150.03134	1.9
151.04044	13.2
159.04468	2.2
161.02515	12.0
161.04626	3.2
161.06125	2.6
161.09747	4.8
163.07663	2.6
173.06044	3.1
175.04005	2.1
177.05573	5.0
179.03592	11.8
179.05580	2.2
180.04257	3.2
185.02380	3.1
185.09746	2.5
187.04037	3.3
187.07762	2.2
191.07185	2.9
193.08691	4.8
195.10295	10.3
197.04495	3.2
201.05602	3.7
203.10825	6.5
204.11014	2.1
206.09546	3.2
213.09253	2.7
215.07114	2.4
216.07957	2.3
221.11839	56.3
222.12102	3.5
231.10291	16.5
233.08299	6.2
234.08936	7.5
247.09833	4.0
248.10484	5.8
249.11327	42.0
250.11380	2.8
265.10852	39.8
275.09296	6.5
292.09573	22.9
293.10342	51.8
294.10660	3.3
294.61969	2.1
306.73364	2.2
307.02939	2.6
313.07300	2.4
325.04108	2.8
333.00827	3.4
411.16660	6.6
455.03036	4.2
455.15674	100.0
455.36081	2.6
456.16125	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	455.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36143	0.3
55.01878	0.4
57.03453	100.0
58.03793	1.8
59.01384	97.0
60.01717	0.7
61.97458	0.3
64.30420	0.3
69.25751	2.0
71.01393	2.7
71.46931	0.3
73.02957	0.8
81.03456	3.2
83.01401	1.0
85.02959	1.5
86.60820	0.3
94.98090	1.4
99.04529	93.2
100.04835	2.5
101.02448	13.7
101.66032	0.3
103.54127	0.3
108.80862	0.3
113.02457	1.3
125.02462	35.5
126.02750	0.9
133.91792	0.3
143.03532	1.4
161.02448	0.3
161.04552	1.3
237.97066	0.4
253.11203	0.4
269.10367	2.0
311.11163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.7
59.01385	100.0
60.01722	1.0
69.03476	0.7
71.01392	9.0
71.01793	0.5
72.99323	1.0
73.02954	7.6
75.99758	0.3
82.95427	0.4
83.01381	1.9
83.05014	2.0
85.02959	2.6
87.00906	0.6
89.02452	4.5
94.98096	0.5
95.01411	0.7
96.15466	0.3
96.96021	4.1
99.00925	0.6
99.92603	0.6
101.02459	6.3
109.02969	0.5
112.98877	0.5
113.02458	6.0
116.92876	2.3
119.03528	2.0
119.05065	1.2
123.04533	0.4
133.03006	1.3
135.04526	1.6
135.08202	0.7
143.03467	0.5
145.02995	2.1
146.03508	0.4
149.04681	0.4
159.04536	0.4
161.02519	1.0
161.04523	1.7
163.04076	1.1
179.03523	0.5
179.05666	0.6
180.78625	0.3
193.12389	0.6
203.03519	0.5
233.15588	0.5
249.13647	0.4
251.16710	0.4
277.03574	0.4
309.12006	0.9
393.13196	0.7
395.20428	1.0
413.21988	0.9
455.16168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14093	0.5
55.01878	1.0
55.03775	0.5
57.03444	2.9
59.01387	51.0
60.01706	0.8
68.63204	0.4
69.12791	3.0
71.01018	1.0
71.01389	13.8
72.01735	0.5
72.98899	0.8
72.99318	22.6
73.02955	24.7
73.78197	0.6
74.03286	0.5
75.89270	0.5
81.03458	0.5
83.01395	3.8
85.02967	4.8
85.03934	0.5
87.00886	1.6
87.04532	0.5
89.02457	7.2
94.98104	2.3
95.01394	1.3
95.05039	0.8
96.96023	6.6
97.06639	0.8
99.00911	0.6
99.04539	3.6
99.92593	3.4
100.93405	0.6
101.02459	11.5
105.03478	0.8
107.05022	0.8
109.03004	1.1
113.02464	5.6
114.83057	0.5
115.92136	0.6
119.03521	1.9
121.02963	2.8
121.10265	4.4
122.03740	1.4
123.04556	4.1
125.02454	1.9
126.71996	0.6
131.03555	0.9
132.02205	2.7
133.02979	32.2
134.03793	7.3
135.04547	15.8
136.05194	0.7
137.02466	2.1
146.03740	0.7
149.02483	2.8
150.03276	1.1
151.04037	17.2
159.04485	0.9
160.01695	1.7
161.02473	100.0
162.02823	4.3
174.03262	0.5
177.01886	0.6
178.02740	8.1
179.03513	6.2
185.02483	0.6
187.07735	1.1
191.10822	3.5
195.03091	2.3
196.03722	0.9
197.04553	1.4
200.04956	0.5
203.10847	2.6
207.37912	0.5
213.09235	0.6
215.95343	0.7
219.10265	2.3
219.94676	2.5
221.11868	1.4
229.08765	1.2
231.10342	2.8
232.95300	0.7
233.15466	13.4
233.17657	0.9
234.15878	0.6
251.12764	0.8
251.16551	18.1
252.16852	1.2
257.08154	4.4
275.09229	3.4
293.10339	27.7
294.10678	1.1
321.03836	0.6
335.73273	0.5
339.05054	0.7
395.20728	6.1
396.21210	0.9
413.21838	40.3
414.22067	4.2
455.22885	59.6
456.23178	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	455.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11214	0.8
53.62506	0.7
55.05322	0.9
68.98023	0.7
71.42370	0.8
73.02956	68.3
82.18611	0.8
84.57232	0.7
99.04553	4.0
99.92638	1.5
117.05594	100.0
118.05920	2.7
188.44366	0.7
198.07814	0.7
255.19722	1.8
272.51089	0.7
295.32092	0.8
295.96759	0.9
322.49332	0.9
347.05502	0.8
378.22482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3171
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
52.87239	0.2
59.01367	0.6
61.58656	0.2
64.69743	0.2
71.01389	0.2
71.42944	0.2
72.99313	1.1
85.48445	0.2
94.98121	0.2
96.96059	0.3
99.92599	0.5
121.02966	0.3
132.02135	0.4
133.02968	2.0
134.03706	0.5
135.04552	1.0
137.02443	0.3
149.02435	0.3
151.04019	0.8
161.02449	4.2
162.02835	0.3
178.02734	0.6
179.03490	0.5
189.12936	0.3
204.95990	0.2
215.95122	0.3
219.94633	0.3
293.10410	0.5
377.28516	0.3
379.30246	0.3
391.30167	0.7
409.31128	0.4
455.31702	100.0
455.92941	0.2
456.32047	13.6
476.49683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3169
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
51.00864	0.1
51.53704	0.1
51.90409	0.1
53.79829	0.1
57.54386	0.1
62.65113	0.1
68.60107	0.2
69.84806	0.2
71.05029	0.1
85.34591	0.1
96.22295	0.1
98.22603	0.2
141.80347	0.1
156.84100	0.1
165.69000	0.1
189.12881	0.2
223.14819	0.2
230.25917	0.2
266.54797	0.1
274.58936	0.2
363.26941	0.3
377.28549	0.2
379.29993	0.2
391.30029	0.8
392.30911	0.2
409.31213	0.5
455.31683	100.0
456.32025	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	455.3536
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
60.21790	0.3
61.28437	0.3
70.84576	0.4
70.94074	0.3
72.99306	0.6
74.89626	0.3
80.14922	0.3
92.82931	0.3
93.22964	0.3
96.95995	0.3
99.92591	0.7
116.44000	0.3
133.02972	0.4
135.04543	0.4
161.02501	2.0
197.62152	0.3
219.94795	0.4
231.94705	0.3
293.10373	0.3
368.75269	0.3
455.35342	100.0
456.35712	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	455.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19102	1.5
77.80273	0.3
112.59878	0.3
114.50586	0.3
117.65250	0.4
130.76106	0.3
182.15392	0.3
217.45509	0.3
282.19910	0.3
346.98251	0.3
455.35352	100.0
456.35727	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	455.3534
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
51.02885	0.5
51.45789	0.4
53.16039	0.4
54.51683	0.5
56.68976	0.4
62.74170	0.5
69.76548	0.8
95.26236	0.4
98.22646	0.6
407.33231	0.9
407.64462	0.6
422.99548	0.6
444.27774	0.4
455.35355	100.0
456.35687	14.7
456.41977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82531	0.6
59.01394	5.4
73.02986	0.6
76.21664	0.6
79.05603	0.6
79.95751	2.1
89.02483	0.6
89.04020	0.7
91.05537	0.7
94.44733	0.7
96.96023	79.5
97.88265	0.6
98.22650	2.0
101.02494	0.8
106.04243	0.7
107.05042	2.1
108.08997	0.7
109.02943	1.9
117.03484	1.1
123.04532	1.2
132.14241	0.6
133.02942	3.2
134.03767	9.2
135.04541	100.0
136.04868	3.9
137.02469	8.1
148.01738	1.2
148.05278	1.0
150.03262	1.4
151.07732	0.6
159.04564	1.4
161.02452	8.4
162.03023	0.9
173.06125	0.9
176.04785	4.7
177.05621	0.8
178.08713	2.0
179.03517	61.4
180.03833	2.7
187.03925	1.6
188.07222	1.3
192.06665	1.4
201.05547	1.0
203.03581	1.4
206.08246	30.3
207.03003	2.6
207.08672	1.0
208.62210	0.8
216.06740	0.9
217.05212	1.1
217.07451	3.8
218.05864	2.7
225.04082	4.0
230.08261	2.3
234.07884	0.7
244.06123	3.9
246.05309	1.5
248.09352	7.0
262.07254	3.1
276.08804	29.4
277.09070	0.9
287.76086	0.7
294.09885	28.9
295.10364	1.2
329.29794	0.8
368.11526	3.8
424.10324	0.9
456.12479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	73.6
60.01712	3.1
61.22308	0.7
69.20571	4.5
71.01392	3.4
72.61869	0.7
72.99325	4.0
73.02953	2.1
79.95750	3.2
80.91683	6.1
82.95432	7.1
85.02969	1.1
89.02428	1.5
89.83091	0.7
96.96021	100.0
98.21896	1.6
99.74354	0.7
101.02456	2.6
113.02455	3.4
113.07679	0.7
119.91914	0.7
123.04563	1.0
133.02968	1.9
135.04541	13.6
136.04863	3.9
160.54431	0.7
161.02457	7.3
161.04599	1.2
162.02838	1.7
179.03493	3.2
197.04512	2.1
258.61697	0.7
276.45258	0.8
397.22540	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	456.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.4
60.54193	0.4
61.98824	0.5
71.01385	1.9
72.99317	9.4
73.02912	1.2
73.99657	0.5
79.95741	2.6
85.02970	0.8
89.02428	0.8
96.96020	100.0
101.02451	1.3
107.05051	0.5
107.23931	0.5
108.51214	0.5
109.02953	0.9
113.02483	1.0
123.04552	1.5
132.02208	0.8
133.02982	6.2
134.03671	1.0
135.04543	13.4
136.04857	3.3
151.04031	0.5
161.02463	17.0
162.02794	6.1
168.61067	0.5
179.03526	4.1
180.03848	0.9
185.79535	0.5
187.07648	1.7
188.08003	1.3
188.93057	0.4
197.04501	2.9
199.07668	0.6
206.46214	0.4
219.10141	0.7
220.10690	0.8
225.05630	0.7
232.10675	0.6
243.06613	0.9
244.07129	0.8
257.08243	0.8
258.08432	0.8
275.09366	0.9
276.09442	0.8
293.10379	2.1
294.10751	4.0
316.05542	0.6
359.07715	0.7
415.23523	0.7
456.19632	0.8
457.20428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64816	0.7
55.96935	0.8
59.01386	83.3
60.01690	1.1
69.15511	3.2
69.15923	1.4
71.01389	2.6
72.99306	0.9
76.52638	0.8
79.11263	0.8
89.02444	1.9
92.10249	0.8
92.29585	0.7
98.21962	1.8
98.99403	0.9
101.00945	1.1
101.02457	1.2
117.00488	1.3
119.05043	15.4
125.00941	0.7
127.61844	0.7
132.98207	2.2
135.04514	2.5
141.00526	3.7
142.78078	0.7
157.03574	2.7
159.01512	1.3
163.04019	9.4
171.01469	1.5
174.99269	27.7
176.98187	1.5
179.03467	1.0
182.02148	0.8
189.00755	0.9
197.04552	2.3
198.99336	1.6
199.00952	1.4
201.00888	1.3
201.02571	17.9
202.02740	1.2
214.98792	1.0
217.00325	100.0
218.00687	3.4
238.98140	1.1
243.03578	0.9
262.01938	0.9
298.99414	1.8
316.89893	0.7
325.09531	0.8
359.01514	29.2
360.01630	2.3
374.99268	2.3
457.13660	6.6
480.34723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.9925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07191	0.7
55.24300	0.7
58.53013	0.6
59.01382	74.9
60.28324	0.6
67.42004	0.7
69.13462	3.6
72.99311	0.8
77.08167	0.6
78.95934	1.0
114.98884	0.7
117.00384	0.9
119.05043	14.0
130.08751	1.2
132.98247	1.5
134.04738	3.1
135.04549	1.4
141.00455	1.6
156.98216	0.7
157.03566	1.6
163.04054	8.6
163.33516	0.7
174.99266	25.0
178.94218	0.9
201.02577	19.8
202.02708	0.8
217.00317	100.0
218.00656	2.4
292.99536	0.7
298.99265	0.9
299.63129	0.7
359.01498	23.9
359.15573	0.8
360.01715	2.2
360.07883	0.9
374.99396	3.3
402.05829	0.8
457.13654	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	457.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44016	0.2
70.72659	0.3
72.99329	0.4
79.95744	2.6
89.39731	0.2
92.59875	0.2
96.96022	100.0
116.85007	0.2
133.02927	0.6
135.04552	0.6
161.02470	2.6
162.47971	0.2
177.53229	0.3
179.03561	0.3
197.04501	0.5
207.84380	0.3
221.19583	0.3
274.29944	0.2
359.07916	0.6
472.82870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36748	0.6
53.35064	0.6
59.01382	2.5
61.27029	0.6
63.26513	0.6
65.68688	0.6
70.63728	0.8
72.99336	1.3
73.02991	0.9
79.95745	2.0
96.96023	100.0
101.02483	0.9
109.02959	0.8
121.87673	0.6
135.04541	1.2
141.84209	0.6
144.93130	0.7
161.02496	2.8
197.04634	0.8
251.10870	0.7
371.14090	0.7
424.37045	0.6
456.35571	0.8
457.24844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19638	0.2
59.01385	0.5
59.55478	0.2
59.79788	0.2
72.99318	0.8
76.90791	0.2
79.95757	2.4
86.57167	0.2
96.96021	100.0
97.95963	0.2
98.21852	0.8
98.95612	0.8
98.96417	0.2
99.08179	0.5
109.02961	0.5
123.04572	1.6
124.09442	0.2
126.87959	0.2
127.07655	0.7
135.04546	1.4
140.42976	0.2
147.00983	0.2
153.05632	0.4
161.02475	1.3
172.07208	0.2
179.03542	0.7
197.04520	1.1
321.04071	0.6
357.97906	0.2
359.07809	0.6
387.32700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65609	1.1
52.58116	1.4
59.01383	29.7
64.86162	1.2
69.03439	1.2
69.76082	1.2
71.01379	5.6
71.40971	1.3
72.99312	7.0
73.02956	2.2
84.05943	1.2
84.22430	1.2
84.99300	1.5
87.00892	16.6
89.02451	2.6
96.96013	10.5
99.00914	1.4
101.02448	4.3
103.00362	3.0
109.02953	5.7
112.98827	23.9
117.03493	1.6
119.03585	1.8
119.05037	49.2
120.05375	1.5
123.04533	2.5
130.99893	2.7
133.02977	9.7
133.05072	10.7
134.03793	8.2
135.04544	56.5
136.04836	2.6
137.02448	4.8
139.00375	3.6
145.02962	3.9
147.04547	4.2
149.00929	36.0
149.06075	2.9
159.04457	1.8
160.01575	2.2
161.02455	30.6
161.04527	1.5
162.02788	2.1
163.04025	100.0
164.04381	3.9
172.73659	1.4
175.04002	8.2
177.05556	4.5
179.03508	32.2
187.04022	1.4
191.03442	2.6
193.05098	3.5
197.04613	3.6
203.03516	6.4
205.05046	2.3
219.03004	12.2
221.04623	3.7
231.02997	2.4
233.04628	1.4
235.06117	3.2
251.05560	2.1
265.07147	2.3
277.03506	6.7
281.06232	1.9
281.08813	5.4
293.03088	9.7
295.04590	29.1
295.07901	2.3
296.05075	1.7
323.07779	10.7
397.11603	1.5
398.85526	1.3
457.12991	6.8
457.26498	2.0
479.45169	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	457.078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97855	1.3
59.01382	15.8
69.10386	10.3
71.01389	2.8
72.99313	4.4
82.22700	1.5
82.23270	1.3
84.99323	2.0
85.02947	2.1
87.00871	13.9
87.36292	1.4
89.74272	1.3
92.50813	1.5
93.03457	1.5
96.96031	4.1
103.00371	2.6
109.02975	5.9
111.00905	2.7
112.98834	25.5
113.02471	1.5
117.03487	3.4
119.05048	51.6
122.57011	1.3
130.99881	3.6
133.02997	10.7
134.03740	5.8
135.04552	62.8
137.02457	2.7
139.00435	5.2
145.02969	13.2
147.04543	9.7
149.00977	11.5
161.02454	30.6
161.06102	3.7
162.02927	1.7
163.04039	100.0
164.04410	3.8
169.07004	1.6
175.04001	9.5
177.05627	1.8
179.03526	35.3
191.03493	6.2
195.93359	1.5
203.03532	17.0
205.05057	3.9
215.03526	2.6
219.03026	23.1
221.04608	1.8
230.95079	1.6
231.03114	2.5
250.97273	1.7
259.02426	1.6
265.07196	3.3
275.01877	1.8
277.03598	14.7
278.04382	1.8
280.34537	1.4
293.03079	18.4
295.04590	23.2
296.04849	1.5
337.06204	1.5
397.11404	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	457.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80742	0.6
52.77326	0.6
56.10363	0.6
56.79324	0.6
58.99866	0.8
59.01387	13.8
59.23050	0.5
60.77518	0.6
62.82298	0.6
69.01920	0.8
69.73701	1.4
69.74082	1.5
70.99879	0.6
71.01395	5.3
73.02988	0.7
74.99375	1.6
80.91723	0.8
82.99912	0.8
85.01450	1.2
86.99385	1.2
89.02437	2.4
98.22657	1.1
98.99397	11.6
99.00887	0.6
101.00963	9.1
101.02456	1.4
102.01026	1.0
102.98860	3.7
108.02193	2.5
112.32725	0.6
113.00972	2.7
113.02483	0.8
114.98867	0.9
115.99644	0.8
117.00458	1.7
119.03490	0.6
119.05013	1.4
122.59724	0.6
123.04546	2.9
125.00973	7.2
126.00983	0.6
126.57498	0.6
126.68671	0.6
126.98904	3.4
129.00456	1.0
130.98404	0.6
134.03751	2.3
136.01704	0.7
139.02469	0.7
139.99677	1.0
141.00471	25.4
142.00589	1.1
143.99132	1.8
145.02965	2.3
146.03758	2.6
147.04553	1.1
149.00946	0.8
150.03267	1.1
151.02727	0.8
151.04015	2.3
153.00478	8.3
155.02013	1.3
156.99936	1.5
161.02530	1.2
162.03241	3.3
163.04041	1.8
165.05621	0.9
167.02013	1.0
168.99905	2.9
169.07198	0.6
174.99269	3.9
175.02528	1.2
177.00447	2.4
177.05638	3.4
177.06885	0.6
178.06319	1.8
179.01991	1.5
179.05626	0.8
183.01561	1.3
188.03284	0.6
190.01308	4.8
191.99109	1.2
193.03548	1.8
194.00700	0.9
195.01526	1.0
195.06577	1.1
201.02628	2.1
202.01222	1.2
203.02049	0.9
204.02823	1.3
205.03572	2.5
206.00711	3.1
216.02837	0.8
217.00337	11.9
218.00745	11.3
219.01314	2.3
220.02235	1.2
222.00157	0.7
223.04639	2.3
231.01526	1.8
232.02286	12.6
233.02829	1.9
235.04678	2.2
243.03566	2.1
244.02264	10.6
245.02731	1.9
246.03838	1.7
247.04706	4.3
253.05664	1.0
256.02530	0.7
256.98120	0.7
259.04639	2.7
260.01752	1.2
261.06320	0.7
262.03363	3.0
263.04001	0.7
273.04730	5.7
276.01038	0.7
277.05722	4.2
289.05725	2.1
290.02814	1.8
298.99237	1.0
307.06747	0.7
314.99298	0.7
319.06659	1.5
357.11917	1.4
359.01492	1.9
374.99268	2.5
379.08896	16.9
380.09146	2.4
397.09933	100.0
398.10138	12.6
415.10959	0.8
439.10648	1.0
457.12088	4.9
458.12448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24826	0.9
57.42995	1.0
59.01389	19.3
59.01679	0.8
61.62883	0.9
61.98825	2.1
62.49850	0.9
69.55943	2.1
69.56318	3.8
71.01389	8.7
72.99309	3.4
73.02943	3.4
74.02480	1.0
85.02955	12.2
87.00865	2.4
89.02453	4.1
95.51490	1.0
99.04509	2.0
101.02451	7.6
108.65062	0.9
109.02980	2.3
112.98815	1.6
113.02466	2.6
117.03461	3.3
118.05119	3.1
118.55392	1.0
119.05035	11.9
121.02957	1.5
124.01675	2.1
125.02460	9.5
132.02200	5.3
133.02974	34.6
133.06567	1.5
134.03780	11.2
135.04536	49.9
136.04887	2.4
137.02449	1.9
141.81038	0.9
143.03499	1.1
145.02972	11.9
148.05278	3.2
149.00980	2.0
149.02394	1.1
149.06099	8.8
149.99608	2.1
159.02925	1.0
159.04324	1.0
160.01674	15.2
161.02457	100.0
161.06052	2.4
162.02834	5.2
163.04018	12.6
168.00652	5.0
169.01349	1.1
175.04021	20.2
176.04646	2.3
177.05588	16.5
178.05910	1.3
179.03514	61.8
180.03833	3.1
187.02513	3.4
191.07164	3.1
193.05031	8.9
203.03502	4.0
205.05103	4.1
221.04579	30.2
222.04932	1.6
223.06271	1.4
233.04614	1.5
235.06099	10.2
251.03122	2.1
251.05621	34.9
252.05959	1.2
265.07184	8.8
281.06686	58.6
282.07043	2.9
293.03049	1.6
295.08237	4.4
296.07690	2.0
323.07681	2.0
325.09491	1.1
341.08774	17.8
358.32715	1.0
367.10269	3.8
383.09882	13.8
397.11426	12.4
398.12012	2.1
439.12354	2.1
457.13168	4.5
458.13040	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	457.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.3
56.51284	0.3
57.49121	0.3
59.01381	3.2
65.40214	0.3
71.01390	2.7
72.99308	0.5
73.02966	1.8
73.03313	0.3
78.91905	0.7
80.55123	0.3
83.34778	0.3
85.02967	0.9
85.12244	0.3
87.00881	0.5
89.02457	1.2
93.03470	0.6
96.96060	0.4
99.00875	1.5
101.02456	1.2
108.20723	0.3
109.03017	0.6
112.98817	0.5
113.02463	1.3
117.03474	0.5
117.05587	0.7
119.05044	100.0
120.05372	4.2
125.02486	0.8
133.02975	2.0
133.06641	0.5
135.04556	4.4
137.02480	0.5
137.73354	0.3
145.02968	1.5
149.00902	1.2
149.06099	0.7
159.02939	0.4
161.02466	4.7
161.04591	0.5
161.06100	0.7
162.03133	0.5
163.04030	51.0
164.04344	2.3
177.05667	0.8
179.03520	3.7
179.07133	0.7
185.44110	0.3
205.05067	1.0
219.06540	0.4
220.92557	0.3
221.04575	1.1
251.05641	1.1
281.06702	2.3
295.01343	0.4
295.04694	1.0
325.09360	0.6
327.25732	0.3
341.08713	0.8
380.46729	0.3
457.13571	54.0
458.13916	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	457.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
70.86166	0.4
71.01386	1.9
72.99319	0.5
73.02965	0.6
82.50444	0.4
85.02936	0.6
89.02449	1.2
93.03461	0.8
96.96027	1.4
98.95601	1.8
99.00898	1.4
99.92609	0.5
101.02473	0.9
113.02498	0.6
115.92123	0.4
116.52402	0.5
119.05042	100.0
120.05400	4.4
125.02435	1.6
133.02971	0.6
133.05069	0.7
133.06633	0.6
135.04524	1.6
145.02983	1.3
161.02475	2.4
161.06082	0.8
163.04028	52.9
164.04343	2.1
175.02415	0.5
179.03526	1.3
187.02466	0.9
205.05035	1.2
251.05566	0.5
270.45840	0.4
283.06186	0.5
295.10324	0.6
325.09311	1.1
376.97559	1.4
457.13574	51.1
458.13925	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	457.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.0
71.01394	2.0
73.02963	1.5
83.66707	1.1
96.96026	16.7
101.02456	1.5
113.02464	2.0
153.36099	1.1
161.04579	2.3
194.07509	1.3
207.11836	7.2
217.00247	2.9
222.06897	15.3
223.11200	2.1
233.52834	1.2
236.08464	4.9
251.10796	100.0
252.11096	7.0
252.36378	1.4
374.98981	1.4
413.15994	5.9
457.33569	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	457.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01168	2.0
59.01389	22.0
63.66410	2.5
69.21611	10.1
72.99318	26.6
81.70726	2.3
88.20149	2.3
91.32836	2.2
93.20152	2.8
96.96031	32.4
99.92618	4.0
101.02470	2.2
111.18755	2.5
123.04529	4.2
133.02991	33.9
135.04578	15.0
136.25215	2.3
137.02437	4.3
141.79355	2.7
149.02489	5.5
149.03871	2.3
151.04019	4.5
161.02478	100.0
162.02928	4.2
177.01949	10.0
179.03484	10.0
208.03726	4.4
217.00322	6.1
219.10294	4.0
263.09378	3.6
295.11835	8.6
374.99304	3.0
397.02386	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	457.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38462	1.2
51.90968	1.1
54.78059	1.1
59.01385	100.0
71.01395	3.4
72.99315	7.0
73.02943	2.3
84.24092	1.2
85.02984	2.4
87.00891	2.9
96.96001	2.5
101.02471	1.9
104.05504	1.1
119.05053	1.2
123.04505	1.3
128.03560	1.3
133.02960	11.6
135.04535	13.3
137.02415	1.6
146.03751	9.1
148.04065	4.9
160.01645	1.3
161.02469	33.0
161.04564	2.7
161.06099	3.9
162.02834	1.5
163.04039	2.1
163.06395	1.5
164.04831	5.7
164.07111	1.3
177.05699	1.2
178.08792	2.7
179.03574	7.3
179.07143	21.9
196.99078	1.5
205.51443	1.0
210.28653	1.2
221.04532	1.6
229.01814	1.7
234.07808	1.0
251.05553	2.0
281.06769	5.5
296.07770	13.5
341.08752	1.2
383.09891	20.2
457.14157	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.4
59.01389	1.4
69.14023	1.1
71.01381	0.9
72.99310	0.9
73.02946	0.4
79.95742	2.4
89.02455	0.8
95.05062	0.5
96.96021	100.0
97.95947	0.3
98.95580	0.5
99.08167	9.5
101.02415	0.4
106.84650	0.2
109.02973	0.2
113.02471	0.4
123.04539	16.0
124.04803	0.4
125.02444	0.4
127.07669	11.2
129.05585	3.4
133.02972	0.3
135.04546	1.6
136.04878	0.4
138.03253	0.3
142.66991	0.2
153.05609	6.8
154.05959	0.3
159.04610	0.2
161.02548	1.2
161.04575	1.4
163.07735	0.3
171.06693	2.4
179.03462	1.2
180.03908	0.3
189.07732	0.4
197.04622	0.7
233.14566	0.2
285.09888	1.9
286.10492	0.2
294.09732	0.2
295.06137	0.2
321.04150	0.5
322.04291	0.2
342.68689	0.2
346.97812	0.3
359.07761	0.4
434.47113	0.2
457.17450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3328
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
59.03226	0.6
64.97375	0.6
69.25136	2.4
69.25536	1.1
76.36777	0.6
77.15341	0.6
96.96040	5.7
127.68684	0.6
133.02963	0.9
135.04527	0.9
157.03258	0.6
168.79352	0.7
182.38620	0.7
217.00380	0.9
309.04416	0.7
397.02722	1.1
434.23090	0.8
457.33289	100.0
458.33658	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	457.333
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.21331	0.7
51.25350	0.6
58.00597	0.9
59.01377	1.9
61.98829	1.0
69.28812	3.4
71.05033	0.8
83.05029	0.6
96.96003	2.0
97.06609	2.1
109.06612	1.2
111.08189	2.7
189.12897	12.5
191.14453	20.4
192.14749	1.7
213.01161	0.7
215.14354	0.7
217.00365	1.2
229.16029	0.9
247.16924	0.7
265.18103	3.2
269.15515	2.5
273.18527	0.7
387.30466	2.1
403.30206	1.0
405.32132	0.7
407.33359	2.2
421.31329	1.6
423.32861	12.8
424.32907	1.5
425.34024	3.7
426.34329	0.7
437.30679	0.8
439.32190	15.2
440.32620	1.6
455.32175	1.1
457.15686	2.2
457.33276	100.0
458.33603	16.6
467.31659	4.1
469.33337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.9
66.12739	0.7
69.03466	2.6
69.19773	1.8
69.20176	2.0
71.01382	1.3
72.99316	8.9
78.95881	0.6
79.01896	0.9
82.06638	0.8
83.01398	1.4
85.02959	1.3
87.00883	0.9
93.03455	0.6
97.02936	3.1
100.23104	0.6
104.14755	0.6
107.01405	1.3
109.02965	1.4
119.05053	0.8
121.02994	0.9
123.00899	6.7
123.04542	1.0
124.01678	20.9
125.02467	46.4
126.02794	1.6
132.02173	1.6
133.02965	3.0
134.03746	1.5
135.04524	2.5
136.04929	1.0
137.02475	2.6
139.45554	0.6
143.86832	0.7
144.06688	1.3
145.02974	0.7
147.03300	1.1
148.04059	8.4
149.99594	24.5
151.00298	2.3
151.04015	1.5
160.01619	4.1
160.03920	1.0
161.02467	9.3
162.02809	3.5
163.04018	0.7
164.07178	0.8
167.03560	1.3
168.00659	62.4
169.01398	7.8
175.04010	3.7
176.03442	1.0
176.07259	0.7
178.08766	4.2
179.03557	2.3
180.03787	1.2
180.17422	0.7
193.05127	1.6
199.75703	0.7
211.04997	1.4
222.07855	1.0
234.07758	2.2
240.22522	0.7
252.08792	0.8
256.05264	0.7
296.07788	22.1
297.08090	1.7
313.05737	3.3
383.09836	1.1
384.10153	3.4
398.11774	1.0
458.13101	100.0
459.13638	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	458.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46763	1.0
60.00910	76.9
61.98842	1.3
61.99555	0.8
66.42519	1.0
69.74649	2.2
69.75034	1.8
86.90567	0.9
116.92874	1.4
121.93822	1.0
125.00137	1.1
147.08192	2.3
149.09695	3.6
158.24510	0.8
163.11320	3.4
177.82053	1.1
187.11316	2.3
204.74019	1.0
233.59193	1.0
256.75653	1.0
277.21698	7.4
279.13739	1.3
280.14758	1.2
309.22305	2.8
322.19254	1.3
322.87741	1.0
337.21765	100.0
337.84875	0.9
338.22070	10.5
458.23792	10.4
458.33691	1.4
459.24255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09529	1.8
59.01387	9.5
64.17290	1.7
65.01568	1.5
69.51092	5.7
69.51493	3.2
71.01379	5.7
84.93881	2.0
88.98817	2.0
89.02480	2.0
96.96024	3.8
98.22654	3.7
99.92598	30.3
100.93377	49.0
101.02488	2.9
101.93385	3.3
106.59348	1.7
115.92093	100.0
116.92117	5.1
116.92862	57.5
116.93710	2.5
117.92856	2.7
119.05037	10.1
120.05454	2.7
121.02963	3.1
124.93356	2.1
133.03017	8.0
135.00883	4.4
135.04552	5.2
137.02475	2.0
138.18060	1.6
142.94414	3.3
145.02980	7.5
154.13823	1.7
154.22676	1.6
154.94395	3.2
161.02466	22.2
162.02805	2.3
163.00366	7.2
163.03998	7.3
164.04312	3.7
165.05634	2.0
166.94434	2.6
170.93916	4.2
172.95512	2.1
179.03497	2.4
182.02223	6.2
184.95462	3.9
194.93878	2.1
195.02985	7.4
197.04593	15.7
212.94940	4.8
221.96393	2.3
223.02567	7.7
224.94917	2.8
241.95258	2.2
242.96045	23.8
243.96063	2.4
251.93552	1.8
260.97159	15.4
265.03549	3.2
265.21533	1.9
265.95224	3.8
280.97559	5.6
311.04150	23.0
312.96539	6.8
357.08414	2.0
359.09741	2.6
373.35312	2.0
459.02185	5.5
459.15234	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.5
62.19608	0.2
71.01389	1.2
72.99315	0.6
77.03942	0.2
79.95744	0.6
81.95318	0.5
81.96194	0.2
83.01418	0.2
84.93893	0.5
85.02979	0.5
87.00890	0.2
89.02451	0.2
89.04002	0.2
91.05508	0.2
95.05072	0.3
96.96024	22.9
97.95960	1.0
97.96497	0.2
98.95610	31.9
98.96435	4.9
99.92600	3.5
100.92601	0.2
100.93382	0.4
101.02458	1.0
101.06094	3.2
104.85857	0.2
105.03457	0.5
107.05043	0.7
109.02954	0.5
113.02482	0.6
115.01971	0.2
115.07669	4.0
115.92086	0.5
116.92881	0.7
117.03475	1.2
121.02972	0.6
121.55069	0.2
123.04524	0.6
128.92879	0.7
132.02187	1.2
133.02977	22.0
134.03810	2.9
135.04544	100.0
136.04881	3.2
137.02489	0.3
143.07161	0.4
145.02983	1.4
146.03773	0.4
147.04536	0.6
149.02380	0.2
149.06120	0.4
150.03203	0.2
151.04013	0.4
156.92368	3.0
160.01651	0.2
161.02464	74.4
162.02805	3.5
175.03937	0.3
177.02081	0.2
177.05594	1.8
179.03522	7.4
180.04048	0.4
203.03545	0.5
204.95992	0.5
205.96762	0.4
206.97618	0.3
215.95277	1.0
216.95970	1.4
217.96742	0.7
218.97565	0.9
219.94806	0.2
219.97975	0.2
220.03813	0.3
221.04579	1.7
233.04857	0.2
233.96288	0.8
234.97102	1.6
243.94763	0.7
244.95432	0.8
245.96107	0.3
251.05505	0.3
259.33560	0.2
260.95078	0.4
261.95706	0.7
262.96503	0.7
263.05682	0.4
278.96036	2.6
279.96326	0.4
280.05942	0.2
297.09814	5.9
298.10046	0.5
323.07761	21.5
324.07996	1.5
335.00369	0.2
378.99149	0.3
422.98190	1.9
440.99136	0.8
459.13022	14.8
460.13440	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56603	1.0
59.01385	15.8
70.72678	1.4
71.01380	8.4
73.02945	1.5
76.55032	1.0
85.02938	2.6
85.29501	1.0
89.02450	4.2
101.02460	5.8
112.98821	1.9
113.02438	2.3
117.03493	2.9
119.03535	1.1
119.78754	1.0
121.05057	3.0
132.02206	17.7
132.95030	1.0
133.02975	3.3
134.02733	2.0
134.03763	38.4
135.04553	1.7
145.02821	1.0
145.95670	1.1
149.06140	5.7
160.01686	83.8
161.02109	4.3
174.84918	1.1
175.04030	100.0
176.04462	4.9
181.08853	1.0
191.07030	1.9
193.05093	46.3
194.05455	2.9
235.06163	5.2
289.74670	1.1
295.08240	1.8
298.99231	1.0
454.66483	1.3
459.15103	75.6
460.15445	6.1
460.46347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	1.0
59.01388	13.2
59.01673	1.4
69.12611	0.7
70.70276	1.0
71.01385	8.3
73.02949	0.7
82.95431	2.2
83.01362	0.7
85.02972	2.4
89.02450	6.8
95.01380	0.9
101.02454	4.2
109.02957	0.7
113.02478	2.7
117.03481	26.8
117.26545	0.6
119.03563	1.2
119.05042	25.1
120.05367	0.8
121.02956	0.8
131.04909	0.6
132.02171	0.7
133.02971	18.0
133.06598	2.4
135.04538	6.5
135.06677	1.2
145.02968	100.0
146.03317	4.0
149.79881	0.6
151.06160	2.4
159.04486	0.7
161.02463	62.0
161.06075	5.9
162.02834	2.2
163.04030	39.4
164.04381	1.3
177.05576	3.4
179.03526	3.8
205.05070	7.7
208.78767	0.6
235.06158	2.4
265.07132	6.2
266.07501	0.8
307.08344	1.0
325.09235	1.1
418.77811	0.7
459.15103	99.2
460.15555	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	459.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83380	0.6
52.39325	0.5
56.07384	0.6
59.01385	100.0
59.37917	0.6
60.01713	0.8
60.92734	0.5
71.01391	6.0
71.42562	0.7
72.99319	0.9
73.02967	1.6
80.57626	0.6
81.99384	0.6
83.01429	0.8
85.02969	1.4
87.00914	0.9
89.02466	2.4
96.96049	0.9
101.02475	3.1
113.02473	1.6
119.03522	1.2
121.02950	4.8
132.02196	1.7
134.03775	4.2
135.04550	1.9
139.00401	0.8
148.05342	3.5
155.78226	0.6
159.02982	0.7
160.01663	8.3
161.02390	0.9
161.04579	2.4
166.06361	14.3
166.07658	0.9
167.06926	0.7
175.04028	12.0
176.04489	0.8
181.08737	15.9
181.10248	1.3
182.09116	0.9
193.05043	4.5
204.58092	0.7
208.07426	12.5
223.07562	1.0
223.09769	16.1
224.10158	1.5
235.06244	0.9
251.12941	0.7
254.14032	0.7
279.12372	1.1
459.08456	1.1
459.14618	8.2
460.15588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22173	0.5
55.01892	0.7
55.30157	0.6
57.03449	1.5
58.66619	0.5
59.01386	100.0
60.01751	0.8
70.42075	0.8
70.42395	1.0
71.01393	9.4
72.99306	1.2
73.02956	4.4
83.01410	2.1
85.02972	3.7
89.02447	3.9
89.88575	0.7
96.96027	3.7
98.95622	4.1
98.96474	0.8
99.00883	0.8
99.92659	0.8
101.02451	7.9
101.06107	1.7
102.55031	0.6
113.02455	3.3
119.03543	0.9
123.04551	0.9
125.02471	1.2
133.03006	1.0
135.04558	2.7
149.02542	1.0
161.02495	3.7
161.04626	2.4
162.02777	0.7
167.03580	0.7
177.80861	0.7
184.15846	0.7
193.38397	0.6
236.06648	0.7
256.44635	0.6
291.18408	1.0
399.23804	3.3
417.24902	5.3
423.22354	6.5
459.20035	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	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85459	0.5
55.01861	0.7
57.03457	1.4
59.01387	100.0
60.01723	1.0
61.98831	2.1
69.03474	0.8
69.57344	0.4
70.98523	0.7
71.01389	17.3
71.05032	0.4
72.99298	0.8
73.02958	19.1
83.01392	3.9
85.02962	5.8
87.00906	2.3
89.02455	12.9
91.83532	0.5
95.01414	1.4
96.96063	1.2
97.03004	0.6
98.95600	0.7
99.00922	1.2
99.04491	0.6
99.92514	0.6
101.02456	17.7
101.06110	0.5
103.04773	0.5
113.02457	12.7
119.03536	5.0
125.02493	1.4
131.03534	1.7
133.03050	0.7
135.04572	3.9
143.03546	2.0
149.04659	0.6
155.10799	0.6
157.89169	0.5
161.02516	1.3
161.04591	4.5
179.03616	1.2
179.05705	2.1
197.04781	0.6
217.29030	0.5
220.05872	0.5
230.79088	0.5
253.18198	0.7
255.19681	5.7
399.23846	6.9
407.06290	0.5
417.24976	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	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03448	0.9
57.27958	0.3
58.00593	0.6
59.01385	100.0
60.01721	1.1
60.94813	0.2
69.03474	0.8
69.36937	1.0
69.40158	0.2
71.01389	17.6
71.04348	0.3
71.17098	0.3
72.01751	0.3
72.99322	1.9
73.02952	16.9
74.03281	0.3
80.91740	0.4
83.01396	4.2
83.05051	0.4
85.02960	4.3
86.03310	0.3
87.00888	1.3
87.04518	0.6
89.02454	13.8
95.01397	1.5
95.33057	0.3
96.96046	0.9
97.03007	0.5
98.22681	0.5
98.95634	0.9
99.00901	0.9
99.04560	0.4
99.92616	1.3
100.33286	0.2
101.02455	18.4
102.02831	0.3
105.83002	0.3
111.46420	0.2
113.02464	9.8
115.04058	0.4
116.92890	0.9
117.03542	0.3
119.03519	5.8
119.04330	0.5
121.03004	0.3
123.04560	0.5
125.02503	1.0
131.03532	2.1
133.03041	0.8
134.03755	0.6
135.04539	5.6
143.03525	2.6
149.04605	1.5
151.21329	0.2
152.38373	0.3
155.03535	0.5
155.11003	0.3
156.92453	0.3
161.02513	1.0
161.04564	4.7
161.05859	0.3
169.12392	0.3
175.02530	0.7
179.03566	2.4
179.05614	4.0
197.04523	1.4
203.10864	0.5
215.95215	0.4
216.95998	0.4
229.08786	0.4
244.95398	0.3
247.09904	1.2
253.18250	0.4
255.19699	4.2
256.20044	0.4
261.95963	0.3
278.96133	0.5
297.20721	0.5
399.23886	1.7
417.24982	5.6
417.30356	0.4
418.25629	0.7
422.98227	0.6
427.13989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18176	0.3
56.57159	0.3
57.03446	0.7
59.01385	100.0
60.01727	0.9
61.31205	0.3
71.01392	5.6
72.99327	0.7
73.02953	2.3
78.47002	0.3
83.01421	1.0
85.02979	2.5
87.00907	0.5
87.04537	0.7
89.02448	2.4
95.01423	0.9
96.96030	2.2
97.03004	0.5
98.95629	3.2
98.96410	0.4
99.00896	0.5
99.04564	0.4
99.92639	0.6
101.02467	5.8
101.06128	1.1
109.02974	0.6
109.32298	0.3
112.01630	0.3
113.02444	2.4
115.86797	0.3
119.03501	0.7
121.02972	0.4
123.08228	0.4
125.02438	0.8
133.03018	1.1
135.04553	2.7
142.13062	0.3
143.03526	0.4
145.02994	0.9
146.52194	0.3
149.02449	1.5
150.03290	0.4
159.03056	0.5
161.02489	3.3
161.04572	1.8
179.03609	0.7
179.05618	0.6
193.05112	0.5
197.04599	0.4
267.06631	0.6
271.02469	0.8
291.64935	0.3
296.44070	0.3
297.20761	0.3
300.02875	0.8
301.03604	0.6
311.54172	0.4
381.22974	0.9
383.33142	0.4
399.23959	2.5
417.24991	2.6
422.98575	0.6
459.22961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89986	0.4
55.01864	0.6
57.03444	0.6
59.01386	100.0
60.00715	0.4
60.01730	0.8
63.33666	0.4
66.87514	0.4
68.40892	0.3
69.23826	2.0
69.24225	0.7
71.01391	11.4
72.99326	0.6
73.02959	6.2
83.01395	2.1
84.15980	0.4
85.02951	4.5
87.00931	0.8
87.04535	1.2
89.02448	4.8
93.03438	0.4
95.01418	0.7
96.96030	2.9
98.95622	3.5
98.96487	0.6
99.00892	1.1
99.92563	0.4
101.02454	9.0
111.00928	0.8
113.01704	0.8
113.02460	7.1
119.03532	1.8
125.02478	0.8
133.02966	0.8
135.04565	1.7
140.38914	0.4
143.03488	0.9
161.02507	1.9
161.04543	3.4
162.02724	0.5
177.65845	0.4
179.03461	0.5
179.05815	0.4
179.14478	0.4
233.96367	0.6
236.60405	0.4
239.16641	0.6
278.96225	0.5
329.19818	0.9
381.22791	0.5
399.23904	8.1
400.24570	1.2
417.24957	8.5
418.25714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.63835	0.4
55.98510	0.3
57.03453	0.4
58.00626	0.3
59.01385	100.0
60.01720	0.8
61.28481	0.4
64.66596	0.3
66.52682	0.4
66.74152	0.4
66.82571	0.3
68.20170	0.3
69.35613	2.2
71.01392	7.1
73.02964	3.1
83.01411	1.1
83.05038	0.4
85.02959	3.0
87.00898	0.7
87.04544	0.9
89.02459	3.0
95.01401	1.1
96.96044	0.7
98.95615	0.4
101.02458	5.5
101.06110	1.7
111.00880	0.6
113.02462	4.1
119.03523	1.1
125.02492	0.6
133.03049	0.4
135.04561	0.7
161.02406	0.5
161.04567	2.8
162.99295	0.4
179.05722	0.8
180.83344	0.4
201.00589	0.4
255.19595	0.6
297.20657	0.9
399.23941	4.4
417.24908	5.2
418.25092	0.8
423.22702	0.5
480.33493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03461	0.6
59.01383	100.0
60.01720	0.7
69.20770	1.9
71.01386	6.5
72.99302	0.3
73.02957	1.9
83.01421	0.9
84.65907	0.3
85.02958	3.7
87.04496	0.5
89.02456	1.2
95.01383	0.9
96.96065	0.5
98.95613	0.6
99.00909	0.9
101.02435	3.4
113.02457	6.5
113.03158	0.5
135.04547	2.8
136.55449	0.3
161.04562	2.6
179.03467	0.5
183.24263	0.3
354.69537	0.3
399.23837	5.0
400.24338	0.4
417.25098	2.3
418.26404	0.4
459.22452	0.6
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
53.40501	1.2
55.01870	2.3
57.03449	1.7
58.42723	1.5
59.01382	55.8
61.98839	1.5
62.19757	1.5
69.17823	8.2
69.18472	1.3
70.35769	1.2
71.01388	18.9
72.99324	1.8
73.02959	8.2
83.01393	3.7
84.93841	1.6
85.02952	8.1
87.00894	4.6
89.02461	3.2
96.96024	1.4
98.95605	1.6
99.08134	1.4
99.92601	4.3
101.02462	10.8
106.75877	1.3
113.02464	6.1
124.01649	2.1
125.02425	2.1
133.02959	3.1
135.04500	3.3
143.03526	1.3
156.92349	2.9
161.02444	5.8
162.02844	1.9
163.02907	1.3
175.06621	1.3
216.95872	1.8
236.90125	1.4
237.18733	1.7
255.19688	27.9
256.19946	2.8
297.20700	1.3
309.50046	1.6
399.23926	17.6
412.75616	1.6
417.24973	48.6
418.25345	5.1
422.98154	2.9
459.26038	100.0
460.26282	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	459.2607
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
53.70184	0.5
55.01872	0.8
55.76722	0.6
57.03467	1.0
59.01386	35.0
59.89275	0.6
61.45212	0.6
61.98832	0.9
69.21860	3.7
71.01389	16.7
71.05019	1.5
72.87305	0.6
72.99317	1.6
73.02951	6.7
77.67775	0.6
83.01409	3.6
85.02952	5.8
87.00883	4.3
89.02436	3.0
95.01411	1.3
99.00872	1.1
101.02452	6.8
111.00934	0.7
113.02474	2.8
118.59746	0.7
124.01674	0.8
125.02458	1.5
143.03502	0.6
183.09198	0.6
219.09056	0.7
237.18660	1.2
255.19682	25.0
256.20041	1.7
297.20767	1.1
311.44559	0.7
399.23868	15.4
400.24072	1.5
417.24988	41.8
418.25314	4.6
422.98309	0.7
459.26071	100.0
460.26413	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	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	35.5
61.54568	1.3
71.01384	10.1
72.99303	2.8
73.02946	4.2
74.74009	1.3
81.72054	1.1
83.01406	3.3
85.02956	4.8
87.00872	1.5
88.36181	1.3
89.02422	1.2
98.21874	2.8
99.92597	3.7
101.02468	5.8
110.07156	1.1
113.02467	2.6
116.92896	2.0
121.03056	1.7
133.02980	3.7
135.04509	4.3
135.57791	1.2
141.93655	1.1
145.02985	1.5
156.92323	1.9
160.79221	1.1
161.02481	7.1
161.07993	1.2
162.02809	3.3
163.02917	1.7
179.03511	1.6
215.95116	1.1
234.97110	1.9
238.43697	1.3
255.19667	31.5
256.20050	1.7
278.96075	1.7
291.38046	1.3
399.23923	13.3
400.24298	2.2
417.24973	52.6
418.25275	5.5
422.98083	1.3
440.99216	1.7
459.26047	100.0
460.26382	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	459.2909
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
59.26531	0.8
61.21149	0.8
69.70033	3.5
75.45951	0.8
98.22598	1.3
107.05041	31.9
126.98085	0.8
134.18132	1.0
140.15500	1.0
163.11299	100.0
164.11621	4.8
283.17032	21.9
284.17462	1.2
295.17090	13.2
374.12149	1.1
459.29083	42.9
460.29480	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1305
Annotation	Sibiricose A3
Peak:m/z	Relative Intensity
55.44364	0.7
57.23349	0.7
59.01385	10.8
61.62192	0.8
69.39506	3.1
71.01381	11.5
73.02939	1.4
83.01375	1.8
85.02943	4.5
87.00852	3.4
89.02460	6.1
92.02686	1.4
93.03466	42.4
95.01360	1.8
98.21909	1.6
99.00869	1.6
101.02451	5.2
113.02456	6.6
119.03487	1.0
119.04997	1.5
121.03007	1.1
123.04474	1.8
131.03468	1.1
135.04462	2.5
136.01669	4.7
137.02455	100.0
138.02728	2.6
141.32500	0.9
151.03969	3.4
153.05550	2.5
161.02348	1.2
161.04552	1.6
162.83871	1.9
166.05931	0.9
170.35686	1.0
179.03514	13.4
209.04463	3.6
239.05640	14.0
281.06693	8.1
299.07867	5.6
461.12784	34.9
462.13025	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	461.1306
Annotation	Sibiricose A3
Peak:m/z	Relative Intensity
51.68724	1.8
51.96931	1.8
54.69590	1.9
59.01376	12.9
62.26773	1.8
65.59156	1.8
67.09844	2.3
68.15530	1.9
71.01382	9.1
71.04883	3.3
72.20336	1.9
85.02964	4.0
87.00874	4.1
89.02452	8.0
89.52232	2.1
93.03461	34.7
101.02426	5.9
108.02185	8.5
113.02472	6.4
121.52800	2.0
123.04530	8.4
125.02399	2.0
136.01663	9.5
137.02454	100.0
138.02747	4.6
151.03993	3.8
152.01195	12.8
161.04526	5.1
167.03508	23.5
179.03511	39.7
179.05292	3.6
179.05667	3.6
180.03937	3.5
209.04559	8.9
239.05612	35.6
240.06032	2.5
252.13904	2.2
268.22455	2.0
281.06729	7.3
299.07739	15.5
300.07904	2.5
461.13016	94.9
462.13492	11.3
466.50443	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.5
59.85443	0.6
60.17727	0.7
60.19118	0.7
66.61859	0.7
70.40704	0.7
70.41063	0.7
71.01391	2.0
71.64697	0.7
72.99312	2.3
73.02970	0.9
74.51327	0.7
84.99313	2.3
85.67416	0.7
86.05669	0.6
87.00884	2.3
93.03464	2.6
95.05031	1.8
98.22803	1.1
98.95629	1.6
101.02429	1.1
108.02180	0.6
111.00837	0.7
112.98824	20.4
113.02466	1.0
117.03480	21.9
118.03793	1.1
119.05041	35.8
120.05345	1.2
121.02948	1.5
122.03764	1.6
123.04543	82.6
124.04889	2.7
133.03012	1.1
135.04558	4.6
137.02483	3.3
145.02969	100.0
145.20045	0.6
146.03278	3.6
147.04623	4.0
153.05592	75.9
154.05949	2.2
161.02449	3.0
161.06084	3.4
163.04025	33.1
164.04482	0.9
167.01852	0.7
175.04045	3.2
177.05669	0.7
179.03471	1.7
179.07129	0.9
183.10265	2.0
187.04060	1.8
188.46663	0.6
189.05600	1.1
192.99709	1.1
197.04497	0.9
203.03517	14.5
205.05064	1.3
211.96770	0.7
215.03552	1.6
247.06219	1.0
259.02393	1.2
266.25116	0.7
277.00931	0.6
277.03549	14.5
281.06665	2.4
286.83746	0.8
307.08267	72.3
308.08575	4.7
315.10852	2.5
328.16238	0.7
461.14838	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	461.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26935	1.5
57.03449	1.5
59.01384	12.2
61.79508	1.4
68.99823	2.5
70.55240	2.2
71.01376	2.5
72.97522	2.2
72.99313	19.1
73.02940	3.8
84.99316	5.6
85.02952	1.7
87.00877	10.2
93.03460	13.6
98.95634	1.7
109.02934	2.9
111.00904	2.5
112.98826	69.1
113.06080	1.6
113.99165	2.3
117.03442	7.9
119.05041	100.0
120.05347	3.8
121.02960	2.3
123.04527	10.6
130.99867	3.9
133.02974	8.7
133.06569	1.9
135.04561	11.7
137.00771	2.0
137.02463	27.1
139.02237	5.2
143.05052	3.4
145.01869	2.4
145.02974	40.2
147.04524	18.0
153.05588	10.0
153.09184	2.0
155.01721	3.5
158.03656	1.6
159.04509	1.5
161.02451	14.5
161.06102	7.0
163.04022	81.0
164.04352	1.9
165.00099	3.4
166.00931	3.6
167.01750	16.7
171.04509	1.4
175.03981	16.0
177.05594	2.4
179.02017	1.4
179.03502	6.2
183.10294	10.2
189.05579	2.4
191.01833	6.7
203.03528	55.0
204.03838	2.9
205.05099	4.4
207.10301	2.6
209.02835	3.1
211.00685	8.8
215.03525	8.0
225.11220	2.3
229.01787	14.2
233.04594	2.4
235.00702	6.0
253.01773	3.8
259.02487	2.2
265.07184	2.0
277.03543	60.2
278.03958	2.0
299.07697	2.2
307.08350	6.8
315.01843	4.0
323.07919	6.9
375.05496	3.9
417.92139	1.4
461.24094	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.5
59.01112	2.5
59.01386	21.6
59.11399	1.8
65.00307	1.6
66.17715	1.7
68.99828	3.3
70.23522	1.6
71.01405	2.2
72.99306	11.9
73.02942	2.3
78.07299	1.5
84.99325	5.3
87.00883	15.3
90.31883	1.4
93.03479	2.6
94.83772	1.7
103.00391	4.9
103.25507	1.7
108.66055	1.4
109.02939	2.0
111.00904	4.5
111.04487	2.6
112.98821	65.7
113.06084	2.0
113.99135	1.9
117.03462	4.4
119.05041	100.0
121.02983	1.8
121.10291	1.9
123.04501	1.6
128.71751	1.6
129.03493	2.6
130.99847	6.0
133.02966	3.0
135.04517	6.0
143.05013	2.8
144.05449	1.6
145.02963	31.9
147.04539	22.6
153.09236	3.2
161.02493	2.8
161.06107	4.6
163.04019	82.0
164.04329	3.4
165.02316	1.6
165.09187	2.8
171.04492	1.5
175.04007	19.2
176.04420	2.0
179.03511	2.3
183.10277	55.7
184.10609	3.1
189.05586	3.0
197.11986	1.9
203.03519	57.4
204.03842	2.3
215.03537	7.7
216.04068	1.8
225.11269	2.5
233.04546	3.3
259.02448	5.0
277.03537	56.1
278.03882	3.8
315.10876	22.1
329.12375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1461
Annotation	2-(4-Hydroxyphenyl)-ethyl-(6-O-caffeoyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.43489	1.6
50.65777	1.6
52.50388	1.8
59.01386	35.9
61.28888	1.7
64.25138	1.7
71.01381	4.1
72.99316	2.9
82.13794	1.9
82.49364	1.7
84.99319	3.9
87.00887	11.7
96.20727	1.8
101.02435	2.4
103.00378	5.6
109.02972	7.9
112.98820	34.6
116.92854	2.4
121.02980	2.1
122.59969	1.9
130.99863	2.2
133.02980	11.1
134.03752	10.2
135.04550	100.0
136.04869	4.3
137.02448	7.5
139.00427	2.5
145.02985	3.2
147.04503	6.0
148.05322	9.0
149.06047	2.1
159.04533	2.3
161.02464	23.9
162.03009	2.4
163.04056	5.0
167.10802	20.3
173.02374	2.1
179.03519	63.1
180.03873	3.5
187.04079	1.8
191.03568	4.1
219.02979	21.4
231.03020	3.0
271.25198	2.1
289.52121	1.8
293.03070	16.5
299.11435	15.6
343.11996	3.1
356.12933	4.0
417.14594	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	461.1669
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
57.03456	4.0
59.01388	29.5
67.22110	0.7
69.49037	2.9
70.11300	0.6
71.01392	41.4
71.75429	0.7
72.99334	0.8
73.02967	2.4
81.24155	0.7
83.01390	1.7
84.02154	0.8
85.02960	44.8
87.00881	1.9
89.02459	16.9
93.03468	7.5
95.01397	18.3
96.32391	0.6
97.02950	0.8
99.00917	0.8
101.02449	9.3
103.04099	0.7
103.09924	0.7
107.05099	0.9
108.02104	0.7
113.02467	87.5
114.02808	1.7
119.03529	3.0
119.64935	0.7
123.04561	6.3
135.04544	54.4
136.04865	2.2
137.02460	14.7
142.73094	0.7
143.03525	2.2
151.04005	0.7
152.12279	0.8
153.05623	3.0
159.71492	0.7
160.84317	1.1
161.04579	8.1
162.83949	3.8
167.03554	1.7
179.03534	2.8
179.05733	1.0
239.05659	1.9
281.06726	1.1
297.09836	1.9
299.07758	0.7
315.10956	6.7
461.16809	100.0
462.17114	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	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46015	2.1
58.32183	2.0
59.01383	43.5
69.97974	4.1
69.98310	2.5
71.01385	20.8
73.02953	47.2
75.00866	7.6
76.17841	2.1
82.95441	2.9
85.02959	17.6
87.00887	2.9
87.04533	22.4
89.02451	18.4
95.01392	4.1
96.96008	3.9
97.02957	4.2
99.04517	5.2
101.02473	15.5
103.04021	100.0
109.02942	2.6
113.02464	20.7
115.04041	9.8
117.03465	4.8
117.05567	2.6
119.03509	9.0
121.02972	2.8
123.04482	1.8
125.02386	2.6
127.04032	3.1
128.03654	1.9
133.03003	3.3
135.04524	9.5
137.02481	3.4
143.03474	3.1
145.02979	18.5
145.05106	14.2
146.03770	5.8
147.04559	4.6
150.03296	2.2
161.02483	21.1
161.04582	5.9
162.03229	26.0
163.04001	3.2
167.07265	2.2
175.06111	5.6
177.05576	12.2
179.03499	5.8
179.05634	4.5
195.06636	4.5
219.03085	4.1
219.06642	4.1
224.35135	2.3
239.93123	1.9
261.07843	2.3
299.01855	2.1
311.91812	2.2
335.09137	2.2
339.10843	7.7
357.11780	5.7
445.25235	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03448	1.7
59.01387	100.0
60.01732	0.8
69.45221	2.6
71.01392	9.8
71.05026	0.5
72.99316	0.9
73.02946	5.0
73.03275	0.5
73.55828	0.5
75.60573	0.5
77.98866	0.5
83.01385	0.7
85.02983	3.8
87.00916	0.5
89.02454	2.9
93.03473	1.7
95.01418	0.7
97.02983	0.8
99.00913	0.6
99.04520	1.4
99.24882	0.6
101.02451	4.7
107.05042	0.6
109.02953	1.4
109.06618	1.6
113.02446	4.3
123.08147	1.1
133.02997	0.9
135.04546	8.5
137.02492	2.8
137.09746	16.4
147.08229	0.6
149.04688	0.5
149.06093	0.8
149.09776	0.9
151.03976	0.7
151.07654	0.6
151.11316	0.6
152.73256	0.6
159.03044	1.1
161.02466	1.9
161.04587	8.1
164.08374	0.9
165.09286	1.5
167.10829	0.8
179.03564	1.8
179.05638	0.7
179.10789	15.1
181.05124	0.7
181.08801	2.3
197.04633	0.6
203.10825	3.9
206.09557	0.6
221.11847	19.3
222.12285	0.7
237.05664	1.9
239.13005	1.5
260.42932	0.5
281.04703	3.4
295.06265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.8
57.03460	3.6
58.00593	0.7
59.01386	41.2
60.01701	0.5
62.49265	0.4
69.03448	1.6
71.01387	44.8
72.01707	0.7
72.48637	0.3
72.99316	5.3
73.02951	25.2
74.03307	0.4
75.00878	0.7
77.32378	0.3
81.03471	1.0
83.01391	19.9
84.95137	0.5
85.02956	28.2
86.00097	1.4
86.03296	0.4
87.00887	2.8
87.21007	0.4
88.76054	0.4
89.02446	6.3
95.01390	2.2
97.02960	2.5
97.46440	0.3
98.95612	0.3
99.00893	8.1
99.04431	0.4
101.02452	58.7
102.02798	1.2
103.04022	2.4
104.04397	0.4
104.78252	0.3
109.02963	3.7
111.00885	1.1
113.02460	19.1
117.49998	0.4
119.03517	1.7
121.02943	0.8
121.94163	0.4
122.98811	0.3
123.04535	1.6
124.50880	0.3
125.02472	3.0
127.04026	0.6
129.01961	1.3
131.03525	0.6
133.02945	0.9
134.03755	0.8
135.04538	6.3
143.03549	2.4
145.05089	1.3
151.03990	0.4
151.11311	0.4
153.12857	0.8
159.03021	4.5
159.04326	0.7
161.02628	1.8
161.04572	22.1
162.04919	0.6
163.06148	2.3
179.03537	3.6
185.02501	1.9
197.04549	2.8
205.07045	0.3
223.13441	0.6
226.05042	0.4
229.07034	1.9
247.08281	1.5
249.05573	0.5
265.05130	0.5
267.06711	0.5
277.05060	0.9
279.02835	0.6
293.04581	0.9
295.06079	1.4
313.07309	0.4
315.18137	100.0
316.18439	7.8
321.03964	3.3
339.05103	2.0
358.09280	0.5
359.17081	0.6
402.08353	0.8
461.23944	70.0
462.24286	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	461.2397
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
55.01882	4.8
57.03460	3.6
58.00593	0.7
59.01386	41.2
60.01701	0.5
62.49265	0.4
69.03448	1.6
71.01387	44.8
72.01707	0.7
72.48637	0.3
72.99316	5.3
73.02951	25.2
74.03307	0.4
75.00878	0.7
77.32378	0.3
81.03471	1.0
83.01391	19.9
84.95137	0.5
85.02956	28.2
86.00097	1.4
86.03296	0.4
87.00887	2.8
87.21007	0.4
88.76054	0.4
89.02446	6.3
95.01390	2.2
97.02960	2.5
97.46440	0.3
98.95612	0.3
99.00893	8.1
99.04431	0.4
101.02452	58.7
102.02798	1.2
103.04022	2.4
104.04397	0.4
104.78252	0.3
109.02963	3.7
111.00885	1.1
113.02460	19.1
117.49998	0.4
119.03517	1.7
121.02943	0.8
121.94163	0.4
122.98811	0.3
123.04535	1.6
124.50880	0.3
125.02472	3.0
127.04026	0.6
129.01961	1.3
131.03525	0.6
133.02945	0.9
134.03755	0.8
135.04538	6.3
143.03549	2.4
145.05089	1.3
151.03990	0.4
151.11311	0.4
153.12857	0.8
159.03021	4.5
159.04326	0.7
161.02628	1.8
161.04572	22.1
162.04919	0.6
163.06148	2.3
179.03537	3.6
185.02501	1.9
197.04549	2.8
205.07045	0.3
223.13441	0.6
226.05042	0.4
229.07034	1.9
247.08281	1.5
249.05573	0.5
265.05130	0.5
267.06711	0.5
277.05060	0.9
279.02835	0.6
293.04581	0.9
295.06079	1.4
313.07309	0.4
315.18137	100.0
316.18439	7.8
321.03964	3.3
339.05103	2.0
358.09280	0.5
359.17081	0.6
402.08353	0.8
461.23944	70.0
462.24286	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	461.2916
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.96359	0.6
70.90902	1.3
96.96029	1.8
102.77074	0.6
124.01676	0.7
126.04710	0.6
135.04550	1.0
158.86638	0.6
161.02417	0.6
227.16533	0.7
381.28067	2.0
397.27502	1.2
399.28995	9.4
400.29330	1.4
415.28647	6.6
417.23221	0.9
417.30206	1.6
443.28116	6.8
444.28690	1.0
461.29135	100.0
462.29440	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	463.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	72.3
70.34078	0.6
71.01370	0.8
101.02448	0.9
103.25117	0.6
117.00472	0.6
141.00612	1.0
141.01720	4.4
156.99890	1.2
157.03571	5.5
159.01497	1.7
174.99261	1.8
180.98428	0.8
201.02568	100.0
202.02731	7.8
217.00296	5.6
239.12646	0.6
283.02917	21.1
284.03098	1.4
299.00574	0.9
398.09058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72245	0.3
62.34515	0.4
63.02403	0.9
65.00322	1.2
68.90420	0.4
69.25174	2.3
83.01397	1.0
93.03489	0.7
98.22662	0.7
107.01438	2.6
108.02215	2.1
109.02959	1.5
119.01381	0.4
121.02985	2.7
135.00923	1.0
135.04553	0.8
136.01555	0.4
148.01669	1.9
149.02426	0.5
151.00398	11.2
161.02518	0.6
163.00392	2.1
164.01154	0.8
169.01566	0.6
178.99893	5.6
179.03506	0.6
187.03975	0.5
190.99898	0.4
199.04022	0.9
211.04036	1.1
215.03593	0.4
216.04253	0.7
218.55354	0.4
226.02696	2.0
227.03517	3.3
228.04242	0.6
229.05095	1.1
231.05057	0.4
236.42628	0.5
243.03001	13.0
244.03363	0.9
245.04581	1.1
254.02217	3.1
255.03014	27.1
256.03378	1.8
271.02509	64.6
272.02997	4.3
273.04126	1.0
283.02402	1.1
297.75699	0.4
299.02005	1.5
300.02777	100.0
301.03522	58.5
302.03870	2.8
343.04440	0.5
463.08875	74.8
464.09140	5.0
470.37241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.6
60.99302	12.7
67.66701	3.0
68.29769	3.3
69.52452	2.7
70.48904	8.8
70.60337	2.7
71.01376	9.2
72.99319	27.8
83.40633	2.9
88.98817	100.0
89.02471	4.4
89.47823	3.8
89.48515	3.8
93.03446	3.5
101.02457	7.8
109.02958	29.0
110.03297	4.7
123.00868	3.0
123.04531	19.3
124.01664	15.1
125.02476	4.2
134.03758	4.2
135.04582	33.1
136.04829	7.7
137.02429	11.8
151.04041	3.3
159.04521	5.1
161.02452	8.3
167.03513	22.5
179.03496	12.3
185.02396	13.9
186.02911	4.8
191.55748	3.3
197.04616	19.7
198.04927	6.3
200.70636	3.0
230.61407	3.7
249.05490	3.9
250.05984	4.3
253.05020	3.8
264.04977	3.9
267.06430	3.5
276.46167	3.3
277.05008	6.5
278.05362	5.8
279.02869	4.1
279.05682	3.3
280.03299	4.7
293.04691	4.1
295.06125	17.8
301.04132	4.0
301.20212	13.7
321.04080	30.2
322.04468	23.5
323.04645	10.9
339.04935	8.7
340.05280	7.8
362.30246	3.6
404.09772	8.3
405.09973	9.4
406.10605	7.6
463.25549	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01386	26.6
60.47708	0.7
60.99313	17.2
61.98809	0.8
62.84855	0.7
71.01379	2.6
71.42513	0.8
72.69646	0.5
72.99315	2.6
73.02957	1.4
79.23087	0.6
85.02962	1.2
88.98817	100.0
89.02428	0.9
89.99158	1.0
95.01424	0.9
99.04539	1.5
101.02448	2.8
109.02951	1.2
112.98819	1.1
113.02454	1.8
117.03484	0.6
119.05063	1.9
123.04547	0.9
125.02451	1.0
133.02995	3.0
134.03763	2.8
135.04553	16.4
145.02956	1.2
147.04498	0.7
151.04028	0.8
154.80266	0.6
160.01692	1.7
161.02460	9.0
161.04578	0.7
163.04048	1.5
165.01912	3.2
175.04013	2.7
177.01953	2.1
179.03506	7.5
191.07224	1.0
193.05067	2.2
197.04581	1.8
203.03427	1.3
217.16916	0.6
221.06197	0.8
221.19121	0.8
235.06161	1.2
251.05788	0.8
267.06573	0.7
271.02524	1.7
277.03525	2.3
285.72867	0.6
299.40170	0.7
300.02783	1.5
301.00043	1.0
301.03589	1.3
301.07184	3.4
301.17075	0.7
301.20245	3.6
341.15979	1.4
373.09436	3.6
403.26999	1.9
421.28333	1.2
463.25247	3.8
474.10043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	22.7
62.36566	2.4
64.46459	2.6
69.10035	2.7
69.28052	2.3
71.01397	27.1
72.99326	7.1
73.02951	9.7
83.01397	2.7
85.02949	14.0
89.02454	13.6
99.00903	4.4
101.02469	15.6
108.02180	9.2
109.02964	29.9
113.02462	11.8
119.03577	2.6
122.03709	6.8
123.04534	35.8
134.03772	5.0
135.04552	24.5
137.02515	2.7
149.02408	2.9
149.04547	2.7
150.03253	63.4
151.04025	54.3
161.02490	6.4
161.04549	14.1
167.15616	2.5
175.04015	3.5
179.03491	6.3
193.06546	4.7
196.05264	2.8
197.04448	2.8
209.06120	6.0
210.07050	3.7
211.07628	19.4
212.17526	2.7
221.06117	8.2
222.06847	10.8
223.07658	7.3
224.04811	2.6
224.08023	3.0
232.68089	2.6
237.05637	5.2
237.09259	21.6
238.06406	6.5
239.07184	100.0
240.07506	7.8
249.05547	8.0
257.08145	5.2
265.05032	7.1
267.06567	17.2
282.41635	3.0
283.06137	5.4
293.04596	8.8
311.05713	5.3
331.17673	37.6
344.86346	2.7
347.12881	35.8
348.13245	5.0
389.10327	29.9
390.10623	4.3
391.11926	8.7
419.11206	5.7
445.09186	4.3
463.10309	7.2
463.21875	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1098
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
59.01380	1.2
69.03449	1.0
71.01364	1.1
71.45461	0.7
79.01876	0.5
83.01360	0.6
83.04731	0.5
83.19798	0.5
89.02424	0.8
95.01395	1.2
96.06935	0.6
97.02963	1.2
107.01378	0.9
123.00895	6.7
124.01673	26.9
125.02466	22.7
147.24232	0.5
149.02411	0.7
149.99597	34.9
151.00281	0.8
167.03523	1.7
168.00652	86.3
169.01280	5.5
171.57826	0.5
331.06827	2.9
356.85291	0.6
445.09900	1.7
463.10956	100.0
464.11237	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	463.125
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
56.98434	0.9
59.01387	22.3
66.01373	0.9
70.26984	2.1
70.93811	1.0
71.01390	15.0
72.99323	3.6
73.02954	3.1
74.99655	1.0
75.00872	1.2
78.95953	1.2
83.01396	2.5
85.02950	2.9
89.02452	9.0
91.45432	1.1
92.02714	2.2
93.03472	43.6
94.03780	1.5
95.01402	1.7
99.00885	1.8
99.83742	0.9
101.02459	10.1
107.05056	2.0
108.02167	1.5
109.02985	3.0
113.02454	6.2
119.03607	2.7
119.05042	100.0
120.05400	2.6
121.02926	1.6
123.04518	1.6
131.03569	1.3
133.02959	1.9
133.65509	1.0
134.03751	1.8
135.04547	19.3
136.01688	8.8
136.44171	1.1
137.02463	90.9
138.02783	3.2
149.02486	1.9
149.04604	1.4
150.03255	2.4
151.04027	6.9
159.04437	0.9
161.02481	1.5
161.04607	2.1
163.04028	78.8
164.04395	3.3
177.01962	1.1
179.03513	29.0
181.05083	22.2
191.03642	1.0
197.04532	1.9
209.04596	3.9
237.13026	1.2
239.05487	20.2
249.05415	1.2
258.70047	1.0
265.05038	2.3
266.06018	1.2
267.06754	3.7
281.06747	1.8
293.04669	1.3
299.07745	2.0
311.05701	1.6
325.09320	2.8
331.17764	3.8
343.10373	79.6
344.10669	5.1
347.12790	1.5
358.08270	1.0
419.12354	1.0
463.12503	69.1
463.21832	9.1
464.12558	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	463.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.8
66.63251	0.9
69.03502	0.9
72.36729	0.8
72.99300	3.2
81.03447	1.6
85.02985	0.9
93.03419	1.2
95.01400	4.6
107.01376	3.6
109.02969	3.5
111.00911	1.0
121.02946	1.5
123.00877	3.4
123.04521	2.3
124.01714	1.0
125.02467	8.2
130.24878	1.0
135.04538	4.1
137.02449	2.3
149.02451	2.1
149.99603	80.4
151.00377	12.2
156.69682	1.1
161.02441	1.9
165.02011	2.2
169.01385	1.2
177.02013	0.9
179.03540	2.3
185.02386	1.4
193.01350	1.5
197.04515	2.2
212.74062	0.9
301.18021	1.2
321.03940	2.4
322.04321	1.2
339.05029	1.2
355.06735	100.0
356.07153	4.8
420.60834	1.1
463.24664	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03446	2.0
59.01386	38.5
65.00350	1.2
67.73889	0.9
68.99815	1.3
71.01392	31.1
71.15986	1.3
72.01757	1.0
73.02953	13.4
75.00874	1.2
81.03456	1.8
83.01388	5.5
85.02962	14.6
87.00891	3.1
89.00363	1.2
89.02457	11.4
93.03436	1.2
95.01412	3.7
97.02955	1.9
99.00896	6.9
101.02457	28.7
106.00655	1.3
108.02161	1.8
109.02979	4.9
111.00881	2.9
113.02467	12.5
119.03507	2.6
121.02972	29.2
121.05070	4.6
122.00184	1.4
122.03763	0.9
123.00896	6.5
123.04563	4.4
125.02441	2.1
127.00442	1.7
131.03543	1.3
133.02982	1.5
135.04562	1.7
136.98816	1.3
137.02449	9.1
138.03252	7.6
139.00354	2.2
139.04005	2.1
143.03510	1.0
150.03246	10.5
151.04010	8.4
153.05597	30.5
154.05963	1.4
155.03557	1.8
159.02974	1.7
161.04582	9.4
166.99866	1.9
181.01427	4.2
182.02213	8.7
183.02994	3.7
196.03827	2.4
197.04572	100.0
198.04906	3.2
211.05968	1.5
211.07683	3.0
224.03279	1.6
225.03989	2.1
237.09163	2.9
238.06361	1.8
239.05476	8.6
239.07216	11.5
267.06674	3.3
269.06628	2.5
299.07718	3.6
331.17624	27.8
332.17984	2.3
341.08755	3.3
347.12717	7.4
352.89130	1.1
389.10440	6.7
391.11752	1.4
445.09134	1.2
463.14594	89.0
463.21860	71.6
464.14926	7.6
464.22394	3.7
478.03806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
59.01386	34.3
59.35263	0.8
61.98829	2.6
69.17010	0.9
70.92006	1.3
71.01384	11.4
72.99296	1.0
73.02950	3.2
81.03471	0.9
85.02966	3.6
87.00845	1.7
89.02456	8.0
91.01910	6.4
95.01396	2.1
96.96019	1.1
99.04467	0.9
101.02440	8.2
107.01397	1.8
108.02187	8.1
109.02961	5.5
111.00881	2.2
113.02468	4.0
115.92082	1.3
116.92867	4.1
119.03519	2.5
121.16807	1.0
122.03761	1.3
123.00867	1.4
123.04539	36.4
124.04884	1.3
125.02459	2.3
133.02957	1.2
133.31839	1.0
135.04510	3.3
141.05591	0.9
150.03239	3.4
151.00357	6.5
151.04013	3.3
151.06148	5.8
152.01175	11.1
153.01938	1.2
161.04558	1.5
165.01955	1.2
166.02727	6.7
167.03508	100.0
168.03857	3.6
175.02489	2.2
177.05557	1.1
181.05110	7.3
191.03554	1.1
194.02252	5.7
195.02956	1.0
209.04570	50.5
210.04929	2.6
221.04622	2.7
223.07668	1.0
239.05647	4.4
239.07536	1.9
243.03192	1.1
267.04031	0.9
269.06683	14.6
283.12299	1.0
301.03217	1.0
311.07745	4.6
329.08737	2.5
347.12701	1.2
403.20264	1.0
413.94974	1.1
463.14685	60.4
464.09448	1.6
464.14856	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	463.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68583	1.3
57.03437	2.2
59.01376	3.2
60.99316	1.7
66.85880	1.5
68.99808	3.1
69.20720	9.1
72.99310	10.4
84.99326	6.0
87.00877	11.0
88.98833	9.4
93.03479	3.2
94.82991	1.3
100.79171	1.4
101.77666	1.3
101.78525	1.3
111.00885	1.4
112.98825	77.1
117.03468	3.5
119.05042	100.0
120.05366	2.3
121.02959	3.1
129.03510	1.8
130.99876	2.9
131.05000	1.8
133.02963	2.0
135.04549	2.5
143.05000	3.1
145.02965	23.3
147.04549	19.2
156.51131	1.4
161.06090	5.9
163.04028	85.6
164.04398	2.4
171.04483	3.3
171.83693	1.3
175.04021	11.8
177.05615	3.1
185.11848	16.2
189.05609	3.0
199.13342	3.5
203.03529	49.0
204.03922	3.4
205.05025	2.4
209.11945	3.0
215.03447	7.3
227.12897	4.1
233.04593	4.6
259.02444	4.8
266.65674	1.4
277.03568	60.4
278.03906	2.6
300.14349	1.4
340.55606	1.4
342.02753	1.5
463.25577	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	463.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24469	1.6
59.01384	28.1
68.99158	1.6
70.45449	1.6
70.45763	2.5
71.01385	4.4
72.99332	10.8
72.99689	1.5
73.02955	6.3
84.99336	4.8
87.00877	16.1
89.02464	2.4
93.03511	1.9
96.96030	6.1
101.02458	4.8
103.00409	5.5
112.98822	64.9
116.92853	3.4
117.03497	5.0
119.05041	100.0
121.02966	3.6
123.04558	2.2
127.00394	3.2
129.03497	2.2
130.99878	6.1
133.02969	2.4
135.04536	5.8
139.11324	2.7
143.05037	2.3
145.02959	27.1
147.04507	14.4
161.02509	4.2
161.06099	3.6
163.04031	73.4
164.04376	3.8
175.04044	15.2
176.04515	1.6
179.03539	1.9
183.13965	3.3
185.11841	68.0
186.12099	3.6
189.05589	2.3
189.74857	1.6
199.13545	2.6
203.03523	48.7
204.03787	3.0
205.05055	2.2
209.11880	3.5
215.03506	8.3
227.12959	3.1
233.04402	2.4
259.02533	3.2
271.02267	2.3
277.03574	46.3
278.04004	2.9
317.12436	25.0
331.15540	2.8
446.15985	1.8
450.97543	1.7
463.09079	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	463.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02009	1.6
57.03449	2.0
59.01387	88.6
61.98829	1.7
69.89410	2.9
71.01387	6.3
72.99307	10.7
83.01385	2.3
84.99319	7.0
85.02969	4.7
85.06600	17.4
87.00871	14.3
99.00885	2.1
101.02455	7.7
103.00394	4.1
111.00901	3.0
112.98829	71.5
113.02434	2.2
117.03493	5.6
118.29037	2.1
119.05047	100.0
120.05414	5.1
121.03003	3.9
123.04564	2.2
124.71883	1.8
128.11513	1.8
129.03531	2.8
130.99886	4.0
133.03000	6.1
135.04568	10.7
137.02509	2.1
143.05090	3.4
145.02997	30.6
147.04544	18.6
149.00836	2.9
161.02470	10.4
161.06123	5.5
161.66338	1.7
163.04028	70.3
164.04311	3.1
165.97299	1.9
171.04567	2.9
175.04018	17.6
176.95947	1.7
179.03481	3.9
185.11859	50.8
186.12122	1.9
189.05571	2.4
203.03525	63.4
204.03827	3.2
205.05067	3.0
209.11801	3.4
215.03566	8.6
218.83829	1.7
221.19229	2.5
233.04477	4.2
259.02493	3.7
277.03546	54.4
278.03928	4.7
301.03479	2.7
301.20282	2.3
317.12485	21.4
344.82870	1.8
403.22986	3.7
463.25540	36.8
464.25674	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27375	0.2
55.01637	0.3
55.01884	3.5
56.99829	0.2
57.03456	2.8
58.00598	0.4
59.01384	27.2
67.01889	0.2
68.66496	0.1
68.99831	0.2
69.03461	0.6
71.01387	50.6
72.01717	0.5
72.99331	1.1
73.02953	21.6
73.15530	0.1
74.03273	0.2
75.00880	1.0
75.78920	0.1
78.72820	0.1
80.40059	0.1
81.03481	0.5
83.01392	9.2
84.02177	0.3
85.02958	27.7
86.00100	0.7
86.03297	0.5
87.00878	2.0
89.02448	3.8
95.01394	3.2
97.02953	1.7
98.22708	0.3
99.00890	7.6
99.04501	0.2
101.02452	43.8
102.02803	0.6
108.02176	0.5
109.02964	1.0
111.00916	0.5
113.02460	22.3
114.02795	0.6
119.03474	0.2
122.03786	0.3
123.04530	1.4
125.02478	1.6
129.01944	1.1
131.03519	14.7
132.03860	0.3
135.04509	1.0
137.02449	0.3
143.03516	3.3
143.04614	0.3
149.02448	0.2
149.04579	0.3
150.03233	3.2
151.04034	2.0
159.03012	5.8
160.03319	0.1
161.04572	41.6
161.52730	0.1
162.04889	1.0
169.12337	0.6
187.13483	0.2
197.04636	0.2
198.03632	0.1
200.12785	0.1
205.03574	0.4
209.06041	0.3
210.06902	0.2
211.07697	0.9
221.06186	0.3
222.06786	0.4
233.06610	0.2
237.09146	1.1
238.09879	0.2
239.07149	4.8
239.12785	0.2
240.07549	0.3
249.05557	0.3
257.08182	0.2
265.04855	0.2
267.06610	0.8
283.06155	0.3
311.05786	0.3
331.17639	100.0
332.17981	6.3
347.12817	1.5
348.13364	0.3
357.11252	0.2
369.88974	0.2
373.18677	0.2
373.85864	0.2
375.16592	0.7
389.10318	1.3
390.10916	0.2
391.12085	0.4
419.11444	0.3
445.09256	0.3
463.21927	6.6
464.22244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.9
55.55935	0.2
57.03453	2.5
58.00605	0.3
59.01385	21.0
69.03461	1.0
69.17960	1.5
71.01388	38.8
72.01733	0.4
72.99326	0.7
73.02953	18.8
73.31583	0.2
74.03303	0.3
75.00874	1.1
81.03459	0.5
81.23499	0.2
83.01394	6.8
84.02157	0.3
85.02959	18.5
87.00879	2.2
89.02457	7.1
95.01406	2.8
97.02964	2.7
99.00892	7.7
99.04552	0.4
101.02450	32.4
102.02782	0.5
109.02974	0.3
111.00923	0.9
113.02461	16.0
115.04036	1.2
119.03540	0.7
123.04552	0.4
125.02474	2.2
129.01967	1.1
131.03526	2.3
131.10765	0.2
143.03555	1.7
149.04584	1.5
150.03253	0.5
159.03009	3.5
161.04568	22.1
162.04901	0.4
179.05692	0.4
191.05632	0.8
205.03400	0.3
233.06706	2.0
237.09459	0.3
293.08844	0.9
331.17636	29.4
332.17853	1.8
463.21884	100.0
464.22235	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	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.0
57.03444	3.8
59.01386	64.4
61.08526	1.7
69.03470	2.4
71.01384	40.9
71.41206	1.8
72.99290	2.1
73.02956	23.8
75.00889	1.6
83.01396	8.5
83.05049	2.6
85.02956	20.2
85.31167	1.6
85.69209	1.5
87.00858	2.2
87.86313	1.8
89.02470	14.3
92.07880	1.6
93.03487	1.7
95.01384	3.5
97.02989	2.5
99.00884	10.3
101.01800	3.5
101.02451	46.3
101.55720	1.8
108.02153	1.9
109.02988	7.9
113.02473	16.7
121.02977	15.7
122.03750	3.2
123.00894	3.8
123.04549	9.6
125.02439	3.5
131.03496	3.2
135.04472	3.0
137.02486	3.4
138.03210	3.1
139.00348	1.7
144.28738	1.6
149.02397	2.3
150.03235	24.5
151.04036	18.4
152.21800	1.6
153.05608	12.3
159.03058	2.7
161.04550	17.1
164.47145	1.8
167.10817	2.2
182.02208	4.7
197.04547	40.1
197.06104	1.6
211.07675	7.4
221.06085	2.4
233.06526	2.1
237.05571	2.0
237.09248	7.2
239.07259	36.8
249.05582	2.9
267.06705	4.4
331.17630	56.2
347.12903	11.7
375.16693	1.7
389.10403	9.4
391.11826	2.2
403.20251	1.7
427.18472	1.8
463.14603	29.8
463.21814	100.0
464.14978	3.2
464.21976	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.0
59.01386	100.0
59.76625	1.2
61.98842	2.1
64.89097	1.4
71.01389	40.5
72.99311	2.9
73.02952	8.0
83.01392	3.4
84.02184	5.6
84.95124	1.8
85.02953	8.4
87.00902	1.7
89.02472	12.0
89.48718	1.4
91.01930	1.8
92.76077	1.4
95.01397	3.0
99.00862	2.3
99.04519	3.7
100.93354	1.7
101.02448	15.3
108.02213	3.3
109.02943	4.6
113.02479	11.5
114.01994	1.6
115.92090	1.5
116.92847	8.4
119.03520	5.0
121.06586	1.7
123.04530	12.9
123.08160	1.5
135.04544	6.9
139.07727	1.9
143.03497	2.2
146.81003	1.3
150.03236	5.9
151.04012	4.3
152.01184	2.7
155.58273	1.8
159.02992	3.6
161.02507	1.9
161.04579	23.3
161.09735	1.6
167.03494	19.4
177.12874	4.1
179.03403	2.1
179.05606	3.4
179.10818	4.7
186.07149	1.7
188.08430	2.4
197.04500	2.1
205.12354	26.4
206.12692	1.6
209.04585	10.4
211.07748	2.0
221.04588	1.8
223.13387	51.2
224.13786	3.1
237.09285	3.0
239.07277	7.7
241.14484	44.1
242.14749	2.2
267.06607	2.6
269.06677	2.6
299.99173	2.9
300.15662	1.7
300.99957	2.6
347.12869	3.7
389.09946	2.1
403.19879	6.6
463.04752	2.3
463.14838	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01492	0.4
54.49332	0.4
55.01886	2.4
57.03448	1.5
59.01385	100.0
59.93876	0.4
60.01719	0.7
60.33465	0.4
69.03447	0.7
69.15224	2.9
71.01387	26.1
72.01761	0.5
72.99316	0.7
73.02949	7.1
75.00887	0.7
83.01395	4.7
84.01566	0.4
85.02961	14.0
87.00909	0.6
89.02447	4.6
95.01411	1.6
97.02947	0.7
99.00896	3.3
101.02449	15.0
112.98852	0.6
113.02462	10.0
119.03519	0.4
119.05052	1.2
125.02468	1.3
127.11338	0.7
131.03583	1.3
133.02954	0.5
135.04555	1.2
143.03540	1.3
144.42409	0.4
159.03021	1.6
161.02477	1.0
161.04576	8.0
163.04022	0.7
191.05721	0.6
261.04926	0.4
271.15662	0.6
289.16592	23.2
290.17087	1.1
331.17645	3.2
360.53082	0.4
421.20834	14.7
422.21234	1.2
463.21625	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	463.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.1
59.01388	91.8
64.69604	0.8
68.88897	0.8
73.02957	100.0
74.03288	0.9
75.88161	0.8
83.05035	1.1
85.86034	0.9
90.22750	0.9
97.02980	1.0
97.06610	1.5
98.22675	2.1
99.04527	20.0
111.08194	1.1
111.72681	0.9
111.95937	0.9
113.06227	0.9
123.04561	7.7
133.02962	2.4
134.03716	1.0
135.04530	3.9
145.04619	0.9
161.02480	8.1
162.02713	1.0
165.09088	1.3
176.74367	0.9
179.03438	1.0
256.58548	1.0
265.14340	1.0
300.02588	1.1
301.00110	1.3
301.03494	1.2
365.19647	1.0
407.20700	1.4
450.11642	1.0
463.22815	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	463.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62516	0.6
55.01880	0.9
57.03453	1.3
59.01386	100.0
60.01716	0.7
60.99320	3.8
61.98830	0.7
65.76916	0.5
67.60877	0.5
69.53767	2.3
71.01391	9.0
71.26266	0.5
72.99319	4.4
73.02950	4.3
74.02494	0.8
77.96452	0.6
83.01396	2.7
85.02958	6.0
87.00862	0.7
88.98817	28.9
89.02459	1.2
95.01380	0.9
97.02962	0.5
98.22572	1.1
99.00896	1.8
101.02445	9.3
109.03011	0.6
112.98852	0.6
113.02467	4.2
119.05025	1.0
121.02966	1.0
123.04581	1.1
133.02997	2.4
134.03749	0.7
135.04546	9.7
136.04802	0.7
137.02458	0.6
149.02513	0.6
151.00424	0.7
151.03972	0.6
160.66505	0.6
161.01350	0.7
161.02484	4.5
161.04546	1.9
163.04033	1.1
165.07167	0.9
179.03513	5.0
182.40092	0.5
186.79228	0.6
193.06601	1.2
197.04556	3.9
199.17090	0.9
203.03430	0.6
207.18979	0.5
221.06117	2.9
239.07185	1.3
265.05090	2.0
276.84158	0.5
277.03867	0.7
283.06137	1.0
300.02649	0.9
301.06998	0.7
323.56693	0.5
340.15298	1.8
341.16193	1.1
361.22491	3.0
373.09076	0.6
403.23358	1.9
421.24011	2.8
445.24384	5.8
463.25528	72.5
464.25854	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	463.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25805	0.4
55.01885	0.5
57.03460	2.7
58.00553	0.5
59.01387	41.1
69.03472	0.5
71.01391	13.0
71.40958	0.5
72.99307	2.9
73.02954	2.1
79.13968	0.5
82.79722	0.4
83.01399	1.4
85.02956	4.0
86.00063	0.5
87.00884	1.2
89.02448	3.4
95.01397	1.3
99.00884	0.7
99.04537	1.1
101.02444	5.9
109.02978	1.1
112.98804	1.6
113.02476	3.6
119.03505	0.7
119.05004	1.5
123.04515	0.8
125.02393	1.3
133.02936	0.6
134.03725	0.6
135.04561	4.2
136.04871	0.5
145.02979	0.5
151.04071	0.6
161.02437	1.9
161.04585	0.7
163.04134	0.5
175.04045	0.5
179.03465	1.0
185.02521	0.6
185.11787	0.4
197.04514	1.1
203.03516	0.9
221.19139	11.2
222.19331	0.6
239.20210	1.0
257.21252	0.6
265.18106	9.3
266.18332	1.0
283.06000	0.6
283.19199	12.0
283.21982	0.4
300.02856	0.7
301.14716	0.6
301.20233	13.2
302.20474	0.8
321.04068	2.0
339.05020	0.7
343.21228	0.7
361.23294	0.5
389.15945	0.6
403.27338	0.8
407.16983	0.8
421.28238	1.4
445.24307	3.6
446.25421	0.5
463.25528	100.0
464.25818	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	464.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80174	0.3
57.03458	1.1
59.01391	4.4
59.87290	0.3
61.98837	100.0
71.01394	0.7
72.99306	0.4
81.38400	0.4
89.02477	0.5
98.21802	0.7
99.04490	0.4
101.02465	0.9
113.02563	0.5
125.02455	0.6
135.04559	1.6
161.02469	0.6
179.03580	0.6
179.05724	0.4
240.04268	1.7
241.05190	1.0
243.03185	0.8
284.03314	0.5
285.04120	2.2
293.17072	0.4
405.21155	0.6
419.07895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	25.2
60.01727	1.0
61.98838	100.0
69.34037	2.7
69.34434	3.0
71.01399	2.4
72.99352	1.0
100.91787	1.0
101.02496	1.5
112.13906	1.1
135.04597	2.1
151.04092	1.3
161.02489	1.8
293.19928	1.2
315.18100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73779	0.7
55.35407	0.8
56.76352	0.7
57.03447	5.7
59.01386	27.2
60.01704	1.3
61.98837	100.0
71.01385	2.4
73.02981	1.5
73.46072	0.7
88.03069	0.7
98.21828	1.6
99.04549	3.5
100.04886	1.0
101.02464	3.0
102.80170	0.7
113.02531	0.8
125.02509	1.5
135.04562	1.4
164.24716	0.7
167.68170	0.7
179.03558	0.8
187.04330	0.7
192.90009	0.7
315.18005	3.8
357.19348	2.6
358.24094	0.8
375.47043	0.8
379.06729	0.7
401.90103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	22.1
60.01748	0.4
61.98837	100.0
64.81472	0.4
69.38382	2.1
71.01400	1.6
72.65302	0.4
73.02955	0.9
73.77406	0.4
79.98528	0.4
85.02949	1.1
101.02472	1.2
104.80486	0.4
109.03010	0.6
113.02499	1.1
135.04556	4.3
161.02484	1.2
161.04604	0.5
179.03535	0.8
184.09990	0.4
197.04605	0.4
200.66869	0.5
240.04477	0.5
241.05075	0.7
285.04193	1.4
292.28995	0.4
296.03448	0.4
315.18240	1.9
371.19800	0.4
464.25894	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	465.1043
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03451	10.7
59.01387	12.0
61.98845	7.5
61.99416	1.0
63.02393	1.9
65.00323	2.9
67.02995	1.1
67.90536	0.9
69.58338	2.8
71.01375	4.2
72.99329	1.4
73.02930	1.1
80.33631	1.0
83.01395	6.8
87.00889	1.0
89.02471	2.4
93.03464	4.3
94.98085	3.2
95.01396	1.0
98.22617	1.9
99.04546	1.3
101.02454	3.4
107.01398	6.9
108.02158	1.4
109.02943	5.1
113.02440	1.9
113.73962	1.0
116.92859	1.8
121.02984	2.7
123.04540	5.3
124.01680	2.1
125.02460	100.0
126.02768	2.4
133.02959	2.1
135.03499	1.7
135.04541	33.2
136.04901	2.1
137.02432	4.3
139.04008	3.3
140.65982	1.0
145.02956	2.3
149.02443	14.7
150.03134	1.7
151.00389	29.9
151.04019	4.2
152.01135	3.7
153.01949	27.6
154.02266	1.3
159.04446	1.0
161.02455	3.9
161.04549	1.6
163.00397	1.3
163.03989	1.3
164.27544	0.9
165.01923	2.3
165.09174	1.1
167.03505	2.4
169.01462	1.0
174.03209	2.7
175.00395	5.9
175.04007	8.8
177.01967	20.3
178.99893	18.4
179.03497	1.7
181.01445	14.6
184.65012	1.0
187.02399	1.0
188.04774	2.8
189.05580	4.0
191.03531	1.8
193.01530	1.5
195.02943	2.0
199.04073	6.7
201.01981	1.7
205.01367	1.5
213.05493	1.2
217.05060	5.8
227.66191	0.9
229.06100	1.5
241.04933	7.3
259.06085	3.6
267.03058	1.2
268.92969	1.0
275.05655	22.8
285.00781	1.7
285.04071	57.8
286.04327	3.8
299.05527	7.0
303.05124	74.5
304.05417	7.2
309.03870	1.4
313.05682	1.4
315.07416	1.8
327.05069	1.7
327.15729	1.1
341.05151	5.9
343.06741	7.8
363.54837	1.0
429.14035	9.3
437.10803	2.2
447.09137	3.9
465.09464	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	465.1038
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
57.03454	1.2
57.24945	0.5
59.01378	2.5
65.00302	0.6
69.26574	1.9
69.26987	1.1
69.52995	0.5
71.01383	6.1
72.99287	1.1
73.02964	1.1
79.01894	0.6
81.03472	2.6
83.01413	1.4
84.07124	0.5
85.02962	2.4
89.02503	0.5
91.01919	1.4
93.03448	0.7
95.01417	1.4
95.50632	0.6
96.99305	0.7
99.00922	0.6
101.02459	2.5
107.01399	3.5
108.02189	76.0
109.02977	43.2
109.04071	0.9
110.03309	1.1
111.00864	1.3
113.02457	1.9
121.02966	0.7
122.03781	0.6
123.00885	1.6
123.04536	6.1
124.01669	1.0
125.02451	2.5
133.02948	0.8
135.00902	1.9
135.04552	5.2
137.02466	0.5
151.00391	2.2
151.04010	1.4
152.01173	78.1
153.01964	37.5
154.02251	1.0
161.04546	1.0
163.04012	1.6
165.01942	1.3
166.02707	1.2
167.03520	15.4
177.02022	0.6
178.99915	0.5
179.03535	1.6
195.02948	1.2
197.04584	1.4
207.02922	0.6
210.33055	0.5
213.42226	0.5
225.03989	0.6
281.06665	0.9
285.04187	1.2
296.05417	1.2
297.06219	7.4
311.07739	4.9
315.07309	6.0
421.11349	5.3
422.12531	0.5
433.07706	4.3
465.10413	100.0
466.10791	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	465.1043
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03450	7.8
59.01387	22.6
59.06494	0.5
63.02389	0.9
65.00333	3.5
68.55878	0.5
69.58648	1.0
69.59027	1.4
71.01042	0.8
71.01390	5.0
73.02962	0.6
73.43567	0.5
74.02458	1.3
81.03455	1.0
83.01393	6.1
85.02914	0.8
87.05630	1.1
89.02467	4.4
93.03436	1.1
99.04503	1.1
99.97935	0.5
101.02456	3.1
107.01407	4.9
108.02207	0.9
109.02975	3.0
113.02454	1.6
119.03528	2.1
119.05036	1.4
121.02955	2.0
123.04543	4.6
124.01642	1.7
125.02461	73.4
126.02814	1.3
126.33241	0.5
126.90390	1.2
127.05132	0.8
133.02937	1.8
135.00928	0.8
135.04532	1.9
137.02452	1.5
139.04030	2.0
143.03477	0.6
146.03743	0.9
147.04501	2.0
149.02461	6.5
149.09761	3.3
150.03157	1.1
151.00385	27.5
151.04015	2.7
152.01149	2.5
153.01956	17.0
161.02448	2.0
161.04544	1.2
163.00394	5.9
165.01962	0.8
167.10823	4.8
171.04558	1.6
173.02533	0.7
173.06097	1.3
174.03265	2.2
175.04021	11.0
176.01196	6.6
176.04391	0.7
177.01944	17.2
178.99887	11.5
179.01311	0.4
179.03394	0.8
179.05627	1.8
180.00551	0.5
181.01459	2.8
185.06154	1.3
188.04742	1.3
189.05563	2.6
191.03554	1.1
194.46028	0.6
195.03036	1.0
197.06250	0.8
199.03992	6.9
200.13925	0.7
201.01927	1.7
205.01340	0.6
210.55011	0.5
213.05600	1.9
215.03572	0.6
217.05045	8.0
219.03131	0.7
240.04311	0.8
241.04991	6.8
243.03017	1.5
243.16084	1.2
257.04599	1.8
259.06216	3.3
267.03122	0.7
273.51709	0.7
275.05624	7.3
284.03271	1.8
285.04068	100.0
286.04367	5.3
303.05130	56.8
303.08786	1.2
304.05472	3.0
309.04095	0.8
313.05701	1.0
315.07425	0.9
327.05368	1.0
341.05081	4.2
342.05756	0.8
405.21207	3.4
421.20978	2.4
447.09512	2.3
448.09506	0.6
457.84637	0.6
465.10092	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62948	1.1
56.49150	1.0
59.01376	3.0
65.14204	1.1
71.01376	5.0
72.99297	2.4
73.18318	1.0
81.03452	2.8
83.01387	1.6
85.02963	3.6
87.00847	1.7
91.01870	1.4
93.03478	5.6
95.01390	2.0
98.22690	3.3
101.02434	4.5
107.01378	3.5
108.02182	89.1
109.02979	43.2
110.03306	1.6
111.00871	3.1
113.02443	2.4
115.97855	1.2
123.00914	1.9
123.04530	8.3
124.01691	1.5
125.02451	2.4
134.03758	1.7
135.00882	2.1
135.04523	9.6
136.01715	1.1
136.04868	1.4
137.02434	11.3
151.00345	3.5
151.04034	1.8
152.01169	84.4
153.01965	37.3
163.04037	1.5
166.02699	1.5
167.03520	14.6
173.65172	1.1
179.03519	4.4
183.02982	1.3
195.02942	1.1
195.06686	2.8
197.04601	2.3
207.03165	1.5
229.44502	1.4
241.05046	3.7
241.08855	1.3
243.03136	1.2
262.35837	1.3
281.06586	1.2
285.04138	7.1
296.05249	1.5
297.06232	7.4
311.07608	3.4
315.07300	6.5
329.68430	1.4
405.41827	1.4
421.11438	5.8
433.07620	5.7
465.10376	100.0
466.11066	8.2
491.12558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10170	1.0
55.52957	1.0
56.07992	1.2
57.03453	100.0
57.48153	1.0
58.03798	1.4
59.01385	84.8
69.23678	1.9
69.24079	5.3
71.01386	4.4
72.99319	3.2
75.00879	1.3
81.03461	2.7
83.01408	1.4
85.02991	2.7
98.21899	2.7
99.04531	76.7
100.04897	1.7
100.16557	1.2
101.02456	17.7
123.04572	1.6
124.01665	1.6
125.02469	29.8
135.04552	15.1
137.02522	2.2
160.91200	1.0
161.02473	2.7
161.04623	2.0
168.00603	1.8
179.03516	2.6
185.05930	1.2
190.66130	1.2
197.04590	2.5
235.11850	4.1
239.03505	3.1
240.04230	5.1
241.05046	13.3
242.05377	1.5
243.02872	1.5
244.03496	1.4
267.02853	2.0
267.06549	1.7
277.12872	1.7
285.04117	20.9
286.04428	1.3
465.09039	5.2
465.26978	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	465.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72332	0.9
55.33803	0.9
59.01385	24.8
69.69151	2.7
71.01376	5.3
72.99294	3.4
73.02935	2.8
79.74825	1.1
85.02954	2.9
87.00916	1.1
89.69385	1.0
93.03429	1.5
98.22593	1.8
101.02433	2.6
107.05044	1.7
109.02965	4.6
109.03592	1.1
113.02444	1.6
121.02968	1.3
123.04523	1.5
124.87965	1.0
130.08749	1.5
133.02968	2.3
134.03757	4.9
135.04538	49.7
137.02417	2.8
147.08170	2.3
155.74397	0.9
159.04526	1.2
161.02455	8.0
161.04559	1.3
161.09705	2.0
162.06807	1.6
163.07663	37.3
164.07919	1.9
170.87851	1.2
173.13365	7.4
175.07632	1.3
175.11304	11.7
178.06281	1.4
179.03517	10.9
187.07619	2.9
187.11165	1.4
189.12848	6.1
191.07103	1.3
197.04553	5.1
199.11205	2.4
200.08223	1.3
201.09196	14.3
202.10008	95.5
203.10387	5.9
206.09549	1.3
217.12350	100.0
218.12758	5.7
228.07982	2.4
231.10223	2.3
241.05319	1.0
243.10287	5.5
246.08891	1.0
260.10522	2.7
261.11334	73.3
262.11597	4.4
295.05911	1.3
303.21768	1.5
321.03809	2.3
339.04971	1.6
387.14734	1.0
421.18600	3.7
423.16565	1.3
465.17603	54.2
465.26993	4.0
466.18021	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	465.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72332	0.9
55.33803	0.9
59.01385	24.8
69.69151	2.7
71.01376	5.3
72.99294	3.4
73.02935	2.8
79.74825	1.1
85.02954	2.9
87.00916	1.1
89.69385	1.0
93.03429	1.5
98.22593	1.8
101.02433	2.6
107.05044	1.7
109.02965	4.6
109.03592	1.1
113.02444	1.6
121.02968	1.3
123.04523	1.5
124.87965	1.0
130.08749	1.5
133.02968	2.3
134.03757	4.9
135.04538	49.7
137.02417	2.8
147.08170	2.3
155.74397	0.9
159.04526	1.2
161.02455	8.0
161.04559	1.3
161.09705	2.0
162.06807	1.6
163.07663	37.3
164.07919	1.9
170.87851	1.2
173.13365	7.4
175.07632	1.3
175.11304	11.7
178.06281	1.4
179.03517	10.9
187.07619	2.9
187.11165	1.4
189.12848	6.1
191.07103	1.3
197.04553	5.1
199.11205	2.4
200.08223	1.3
201.09196	14.3
202.10008	95.5
203.10387	5.9
206.09549	1.3
217.12350	100.0
218.12758	5.7
228.07982	2.4
231.10223	2.3
241.05319	1.0
243.10287	5.5
246.08891	1.0
260.10522	2.7
261.11334	73.3
262.11597	4.4
295.05911	1.3
303.21768	1.5
321.03809	2.3
339.04971	1.6
387.14734	1.0
421.18600	3.7
423.16565	1.3
465.17603	54.2
465.26993	4.0
466.18021	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	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21324	3.0
57.03444	5.9
59.01389	100.0
61.98832	3.2
69.27480	17.2
71.01382	21.1
85.02945	3.8
89.02451	39.3
101.02448	9.3
113.02460	8.2
119.03508	13.9
125.02422	8.7
125.87359	7.2
132.02176	7.2
133.02960	8.5
134.07442	3.6
135.04559	4.9
137.02493	5.0
142.87570	4.0
143.03490	4.2
148.91005	19.2
149.09723	17.7
160.01733	5.2
161.04611	4.4
167.10793	28.1
167.87776	2.8
178.02762	5.4
179.05608	9.2
183.14426	2.9
184.88722	4.6
222.92610	25.2
223.93407	8.9
224.52087	3.3
224.94150	5.9
225.14932	7.6
226.92108	10.3
257.89569	5.0
268.93082	10.1
275.05215	3.6
285.04071	11.5
285.88748	5.3
291.96835	3.5
303.04803	3.7
303.90012	23.0
305.47028	3.0
322.35641	3.6
393.99854	12.9
405.21365	11.1
465.95300	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	13.9
59.01386	100.0
61.98819	15.9
71.01385	41.1
72.99335	5.7
76.14790	2.7
85.02968	5.7
89.02448	52.2
93.18204	3.1
99.04508	4.5
101.02453	19.0
109.02937	5.6
113.02444	14.9
119.03507	21.9
135.04538	20.4
137.09767	3.5
149.09718	20.3
150.09946	3.5
151.04037	3.2
151.47481	3.2
152.74092	3.2
153.01944	3.7
161.02469	15.2
161.04564	5.6
167.10805	48.6
179.05600	13.9
225.14920	8.8
237.32733	3.2
241.05025	11.5
274.52686	3.1
285.04187	15.5
335.65073	3.2
405.21362	36.6
406.21497	3.1
429.14044	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	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.6
57.03461	2.3
59.01385	100.0
60.01723	1.0
69.03451	0.5
71.01389	24.5
72.99304	0.8
73.02952	9.0
78.95927	0.3
83.01396	5.7
85.02959	14.5
86.00113	0.8
87.00895	0.8
89.02451	4.5
95.01419	1.4
97.02968	0.8
99.00887	3.8
101.02451	19.8
111.00882	0.4
113.02460	9.6
119.03532	0.4
125.02471	1.5
125.20819	0.4
129.12920	0.4
131.03488	2.2
135.04573	0.7
137.02542	0.4
143.03560	1.0
149.04620	0.5
159.03050	1.4
161.04581	6.2
163.09389	0.3
184.00885	0.3
191.05728	0.4
273.17200	1.1
276.08575	0.3
291.18164	32.0
292.18372	2.0
333.19193	3.2
350.89297	0.3
370.03882	0.3
405.21646	0.5
423.22421	18.1
424.22839	1.7
465.23367	5.6
466.23663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38195	0.4
55.01884	1.6
57.03448	1.4
59.01387	100.0
60.01725	1.0
60.99323	0.6
69.03460	0.4
71.01390	21.6
72.99316	0.9
73.02956	9.2
75.00889	0.4
81.03471	0.4
82.59909	0.4
83.01392	5.9
85.02960	11.5
87.00896	1.3
88.98836	1.9
89.02455	5.0
90.11879	0.4
95.01411	1.2
97.02956	0.5
98.22686	1.1
99.00889	3.4
101.02454	19.8
102.92489	0.4
109.02981	0.6
111.00905	0.9
113.02465	10.1
125.02501	1.2
127.11401	0.4
129.01961	0.5
131.03468	2.3
133.03014	0.8
135.04558	3.5
143.03557	1.0
151.03983	0.4
153.02031	1.0
159.03075	1.3
161.02509	3.4
161.04578	5.2
179.03575	1.7
188.15257	0.4
205.58934	0.5
239.03853	0.4
241.05252	0.8
273.17151	0.6
285.04166	1.1
291.18179	30.3
292.18579	1.7
333.19354	2.3
333.65332	0.5
344.48685	0.5
423.22397	18.6
424.23175	1.4
465.23517	7.9
471.82388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51186	1.1
52.57664	1.6
54.96498	1.2
55.01867	1.8
57.03436	3.0
59.01383	100.0
60.01717	2.0
61.98838	13.8
65.35440	1.2
69.10310	10.1
71.01011	2.4
71.01384	20.1
72.91271	1.4
72.99319	2.7
73.02960	4.5
79.06533	1.3
83.01384	2.5
85.02944	4.4
89.02454	15.2
89.24497	1.5
94.98109	1.7
99.04543	2.4
99.98768	1.4
101.02457	14.7
109.03017	3.1
113.02473	9.8
116.92858	3.5
119.03514	6.5
123.04533	2.0
125.02425	12.9
125.87275	1.4
135.04565	7.9
145.02864	1.5
147.04613	2.1
149.02452	2.1
153.02005	2.5
161.02428	3.7
161.04611	6.6
163.04118	1.9
165.09152	1.3
167.03444	2.2
167.10773	2.0
168.96214	1.5
177.01924	4.1
178.99908	2.8
179.05655	3.8
181.01318	1.7
197.04469	2.0
241.05093	4.4
275.05630	2.1
285.04169	11.8
303.05099	7.0
306.40292	1.5
405.21338	40.5
406.21609	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	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51186	1.1
52.57664	1.6
54.96498	1.2
55.01867	1.8
57.03436	3.0
59.01383	100.0
60.01717	2.0
61.98838	13.8
65.35440	1.2
69.10310	10.1
71.01011	2.4
71.01384	20.1
72.91271	1.4
72.99319	2.7
73.02960	4.5
79.06533	1.3
83.01384	2.5
85.02944	4.4
89.02454	15.2
89.24497	1.5
94.98109	1.7
99.04543	2.4
99.98768	1.4
101.02457	14.7
109.03017	3.1
113.02473	9.8
116.92858	3.5
119.03514	6.5
123.04533	2.0
125.02425	12.9
125.87275	1.4
135.04565	7.9
145.02864	1.5
147.04613	2.1
149.02452	2.1
153.02005	2.5
161.02428	3.7
161.04611	6.6
163.04118	1.9
165.09152	1.3
167.03444	2.2
167.10773	2.0
168.96214	1.5
177.01924	4.1
178.99908	2.8
179.05655	3.8
181.01318	1.7
197.04469	2.0
241.05093	4.4
275.05630	2.1
285.04169	11.8
303.05099	7.0
306.40292	1.5
405.21338	40.5
406.21609	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	465.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46638	0.4
54.10934	0.4
55.01888	1.3
57.03463	1.2
59.01387	61.7
60.01727	0.6
62.88519	0.4
68.05251	0.3
70.45615	0.4
70.45932	0.7
71.01390	10.8
71.01779	0.6
72.99329	0.7
73.02950	5.7
83.01395	2.9
85.02959	6.1
86.00089	0.4
87.00893	1.1
89.02465	1.1
95.01433	1.0
99.00881	2.1
99.04541	1.0
101.02451	12.5
103.15568	0.4
111.00854	0.8
113.02465	4.2
123.04497	0.4
129.78833	0.5
135.04556	1.7
143.03532	0.7
153.04567	0.4
159.03038	0.6
161.02438	0.7
161.04582	1.8
179.03654	0.5
243.19600	0.8
267.14349	0.4
289.76535	0.5
303.21881	0.7
405.24988	3.9
447.26093	4.4
465.27078	100.0
466.27460	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	466.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.0
59.61077	0.5
59.66931	0.5
60.01732	1.7
61.01808	1.9
61.98836	100.0
66.86150	0.5
69.45864	1.9
71.01391	1.3
72.99312	1.0
74.29079	0.6
75.28693	0.5
83.05035	1.3
89.02420	0.8
96.96022	0.8
98.21877	1.0
101.02529	0.7
101.74190	0.5
105.26195	0.5
123.04546	0.8
135.04582	0.8
145.02954	0.7
197.04631	1.3
238.27661	0.5
261.02881	0.5
270.95572	0.5
305.07956	1.5
316.11063	0.6
406.21515	1.2
477.80920	0.5
492.21402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16992	26.7
59.01381	100.0
59.07603	23.3
61.98832	61.5
64.43147	24.8
75.32368	25.2
85.70124	24.5
91.45655	27.2
106.89173	27.1
135.04480	25.8
161.02444	67.9
174.01678	37.9
184.10429	26.6
193.57596	29.0
311.97836	36.0
407.20276	28.3
466.46698	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.2
65.01457	1.8
68.01417	1.0
70.90401	0.9
71.01376	3.6
74.24184	0.7
77.93825	0.7
82.99892	0.8
83.01393	2.3
83.99414	1.1
85.01505	1.5
87.44645	0.7
92.83974	0.8
98.99401	4.2
99.98909	3.5
101.00958	4.0
109.02998	1.0
111.02016	54.0
113.00970	4.7
114.98892	3.9
117.00466	6.3
118.03274	0.7
123.98959	3.9
125.00942	1.5
126.01965	1.2
126.98901	1.4
129.26375	0.7
141.00470	24.5
142.00673	1.0
143.02025	3.0
144.99925	2.2
148.02608	1.0
149.02069	0.9
150.00439	1.0
150.99991	5.1
152.02007	1.3
153.00409	2.2
153.99989	0.9
155.02037	13.7
156.99928	7.9
157.03523	2.3
159.01503	2.1
160.52571	0.8
164.02046	0.7
165.01730	0.8
166.03633	1.9
167.03284	1.2
168.01428	1.0
168.99904	0.9
169.01091	7.3
171.01511	2.5
175.00023	4.9
183.01501	13.5
184.01021	8.7
191.03156	0.9
192.00026	3.6
192.01854	3.7
193.01097	6.0
194.01237	0.8
195.01411	1.4
198.99521	2.4
205.01041	0.9
208.99022	2.1
211.02121	13.9
213.02534	1.5
217.00665	5.2
218.00746	1.0
222.99609	1.5
223.99205	1.2
227.00220	5.8
231.99533	2.4
232.99039	19.2
233.99173	3.0
236.98515	3.4
241.00540	7.4
242.00775	1.1
243.42978	0.8
247.00531	1.2
248.98671	1.1
251.00124	20.1
252.00151	2.6
253.01596	0.9
254.99637	1.9
255.02153	1.7
256.99173	1.9
259.01636	8.7
260.01898	1.1
260.98450	1.7
261.01468	0.8
265.00449	1.3
265.01971	1.1
266.00085	10.0
266.99924	1.9
269.01184	6.4
272.98547	1.9
274.00690	3.9
275.00122	73.1
276.00214	11.8
276.99432	2.9
277.02023	1.3
282.98743	1.3
283.01630	16.0
284.01779	1.9
289.01682	8.4
290.01834	1.6
290.99588	7.4
291.03116	2.3
292.01703	3.1
293.01230	15.7
294.01199	1.8
295.01596	1.6
297.03165	9.6
298.03333	1.7
299.00919	2.1
302.99420	0.9
303.02850	0.9
304.01624	2.7
305.01169	3.9
306.99094	1.2
307.02722	2.2
309.04330	1.1
311.02377	1.4
313.02866	1.1
317.01172	26.6
318.01184	3.2
319.00446	6.2
322.02686	3.0
323.02237	0.8
325.02084	5.8
325.05490	3.2
326.02197	3.1
334.02759	16.2
335.02332	10.6
336.02402	0.9
347.02179	8.7
348.02371	1.7
355.03760	14.4
356.03812	1.8
359.02167	1.2
361.01825	5.8
362.01645	0.9
364.03870	6.2
365.03717	1.7
387.01059	1.1
403.02634	10.4
404.02542	1.9
407.04330	100.0
408.04538	18.6
425.05432	42.0
426.05521	8.0
467.00757	1.3
467.07068	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	467.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03432	0.7
59.01386	18.3
60.34396	0.3
65.65279	0.4
66.07527	0.3
68.99809	0.4
71.01391	10.4
72.99329	0.7
73.02935	1.9
83.01395	1.8
85.02948	3.6
87.00885	0.7
89.02457	6.6
92.02681	2.1
92.91711	0.4
93.03471	27.7
94.03806	0.5
95.01379	1.2
96.99315	0.6
97.02997	0.5
99.00899	0.7
101.02453	7.8
106.17358	0.3
107.05045	0.5
108.02196	3.0
109.02959	2.6
113.02458	4.3
119.03518	2.2
121.02961	0.9
121.79762	0.4
123.04568	0.5
135.04539	2.6
136.01675	3.7
137.02461	80.6
138.02811	1.9
147.04559	0.8
151.04057	1.9
152.01176	2.9
153.01982	2.5
161.02556	0.6
161.04529	0.6
163.03973	0.5
170.01410	0.3
179.03506	12.5
180.03857	0.6
185.11827	1.1
208.99196	0.4
209.04550	2.3
221.04636	1.5
239.05637	9.1
263.12747	0.4
281.06754	2.7
299.07712	0.5
315.07159	0.9
377.58710	0.4
423.13013	3.4
467.19266	100.0
468.19595	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	467.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03452	0.8
59.01387	14.9
61.98834	0.5
68.99841	0.5
69.28873	2.1
71.01392	10.2
72.96525	0.4
72.99332	0.6
73.02962	2.9
83.01393	2.0
85.02966	3.6
87.00886	0.6
89.02460	4.5
92.02711	2.2
93.03473	26.1
94.03802	0.7
95.01414	1.4
96.99361	0.6
99.00877	0.8
101.02466	7.4
104.00851	0.4
108.02207	2.6
109.02987	2.5
113.02455	3.7
119.03529	1.7
119.05076	0.5
121.02975	1.0
133.03009	0.5
135.04572	1.3
136.01688	3.4
137.02473	79.1
138.02821	1.9
147.04579	0.5
151.04085	2.2
152.01212	1.6
153.01981	2.4
159.03104	0.4
162.98695	0.6
163.04034	0.7
165.00200	0.5
179.03528	10.7
185.11865	1.7
188.13487	0.4
191.03476	0.5
209.04570	2.2
221.04579	1.4
239.05656	7.0
281.06747	2.7
416.92297	0.4
423.12717	1.9
424.12939	0.5
467.19269	100.0
468.02167	0.5
468.19577	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	467.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43706	0.3
55.01880	0.8
57.03447	0.7
59.01382	3.7
60.01458	0.3
69.69498	1.0
71.01388	4.7
72.99335	0.5
73.02943	2.2
77.52959	0.3
80.16743	0.5
81.03463	1.5
83.01393	1.4
85.02953	3.3
87.00881	0.4
91.01926	0.7
91.64618	0.3
95.01405	1.0
97.02953	0.5
98.21956	0.4
99.00871	0.6
101.02448	4.1
107.01407	2.2
108.02190	5.0
109.02963	18.7
111.00877	1.3
113.02470	1.4
123.00906	0.8
123.52654	0.3
124.01653	0.7
125.02460	1.1
135.00912	2.7
135.04536	1.0
137.02420	1.6
139.93745	0.4
151.00322	0.4
152.01201	2.5
153.01950	36.0
154.02269	1.1
161.04657	0.7
163.04074	0.3
179.03510	0.4
193.04999	0.4
219.13916	0.4
237.04057	0.8
254.69183	0.3
297.06277	1.0
305.00479	0.4
445.07959	0.4
467.19241	100.0
468.19583	9.9
489.90445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95019	0.4
57.03442	0.5
59.01387	4.9
61.98818	0.6
71.01395	3.8
72.99316	0.9
73.02964	1.3
83.01372	1.0
85.02959	1.9
89.03941	0.6
94.93501	0.4
95.01410	0.4
101.02454	2.0
105.03486	0.6
107.05006	0.7
109.02938	0.7
113.02471	1.4
115.74808	0.5
117.03483	1.2
123.04561	0.7
132.02174	1.6
133.02974	35.2
134.03732	1.9
135.04546	17.5
135.05325	0.3
136.04874	1.5
137.02451	0.9
146.27713	0.5
161.02466	100.0
162.02788	3.3
163.03949	0.6
177.04117	0.7
179.03513	6.6
179.05798	0.5
180.03877	0.7
197.04643	0.7
216.70583	0.5
334.47513	0.4
339.07217	0.5
467.19250	67.7
468.19662	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	467.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84454	0.6
55.01875	0.8
57.03443	1.2
59.01384	29.8
69.03458	3.4
71.01396	7.5
72.99292	0.9
73.02953	18.9
75.36184	0.7
81.03456	1.4
83.01389	3.7
85.02956	1.5
89.02467	1.3
93.03434	0.9
97.02953	9.7
99.04503	1.6
101.02454	9.4
113.02459	2.6
134.03740	0.9
135.04547	3.8
137.02446	0.7
137.09731	2.3
143.03505	0.6
147.08189	1.6
149.04530	0.7
149.09801	0.7
150.16454	0.6
151.03946	0.7
161.04565	1.4
163.07674	2.4
165.09242	11.6
171.11772	1.0
173.09776	0.7
177.05637	0.9
179.07054	1.5
187.11327	1.1
189.05545	0.7
189.12894	3.3
190.06349	0.8
191.07098	1.7
191.10806	1.0
192.07977	0.7
193.05116	1.3
201.12810	3.3
202.06302	0.9
203.07155	1.2
205.08705	11.7
205.12335	2.4
206.09299	1.2
215.07140	3.3
215.10730	3.1
217.12376	5.4
218.09500	0.8
219.10297	5.3
219.13922	2.3
220.11061	9.9
227.10811	3.0
229.08725	2.5
230.09473	8.2
231.10223	1.8
232.07329	0.8
233.08240	9.9
233.11745	4.9
235.13364	4.9
245.11839	28.1
246.12088	1.7
247.09776	6.3
247.13414	3.8
248.10550	24.9
248.13142	1.2
249.11041	1.7
262.12000	1.3
263.12903	100.0
264.13239	6.5
292.57727	0.7
305.13782	0.8
425.18338	0.9
427.61368	0.6
467.19244	90.1
468.19684	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	467.1928
Annotation	Paucin
Peak:m/z	Relative Intensity
55.01868	3.3
57.03448	4.8
59.01388	52.9
67.01903	1.5
68.99829	1.9
69.03447	3.1
69.17986	4.3
71.01391	100.0
72.99316	2.3
73.02958	30.8
81.03472	7.5
83.01385	7.2
83.05031	4.3
85.02464	2.1
85.02960	31.9
87.00883	5.8
89.02442	2.1
93.03448	2.0
94.47717	1.0
95.05077	1.2
97.02966	4.7
98.21871	1.9
99.00899	5.3
99.04515	3.4
101.02469	15.6
107.04984	1.4
107.08667	1.0
108.02177	1.2
109.02972	8.5
111.00884	1.9
111.04521	3.2
112.01707	1.9
112.25623	1.0
113.02480	8.0
113.06155	0.9
121.02950	1.5
122.03729	1.1
123.00884	3.7
123.04511	2.7
123.08222	1.2
124.01673	9.7
125.02467	4.9
125.06060	3.0
127.04015	1.9
134.03790	1.5
135.04558	9.0
135.08231	1.0
136.04872	1.3
137.02460	32.0
137.09734	2.4
138.03314	2.2
139.03998	3.5
143.03540	1.9
147.08162	4.7
149.06134	1.5
149.09778	1.4
151.04012	2.2
151.11299	2.0
153.01955	2.6
153.05591	1.9
153.09206	2.7
161.02478	2.1
161.04565	2.0
161.06056	1.2
161.09740	2.9
163.07709	6.0
163.11325	2.0
165.09178	2.9
175.11186	1.8
177.09215	3.2
177.12860	1.5
179.03497	2.1
179.10785	9.2
179.14340	1.7
183.10249	1.7
189.09131	2.2
189.12836	4.1
191.10930	1.7
191.14442	4.0
193.12332	4.1
194.09425	2.2
195.10298	2.9
197.04575	1.1
201.09259	2.4
201.12914	3.8
203.10809	1.5
203.14478	2.5
205.12413	2.6
207.10312	1.4
207.13930	3.1
211.09755	1.5
215.14456	1.8
217.12357	11.7
219.13887	11.1
220.14124	1.2
221.11867	2.5
227.10738	2.2
229.08720	2.4
229.12398	6.3
230.09485	5.2
231.13896	3.2
233.11836	6.9
233.15544	2.5
235.13428	9.4
243.10475	1.5
243.13889	2.1
244.11021	4.1
245.11859	33.7
246.12189	2.0
247.13388	11.1
249.11403	2.7
251.12868	1.2
259.13397	3.9
261.11328	8.7
261.14963	1.5
262.12003	1.9
263.10153	1.5
263.12915	30.0
264.13092	1.1
271.13388	1.3
277.14499	2.4
279.12402	3.3
281.02124	1.0
281.14108	1.1
287.12936	9.8
299.12943	1.1
305.14041	6.6
317.08731	2.6
389.15955	3.3
397.18463	1.6
407.17252	4.9
425.18265	11.9
439.19724	2.0
449.18115	2.1
467.19244	38.2
468.19513	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	467.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98980	5.0
54.42867	5.0
59.01381	100.0
61.98809	7.8
69.09412	13.8
69.09821	24.8
71.01385	48.8
72.40253	5.6
72.99303	17.5
73.02946	14.8
85.02958	24.2
91.36874	5.5
99.00915	5.3
101.02483	11.2
109.02950	25.4
111.00954	5.8
111.04672	5.1
113.02465	7.8
123.04527	6.8
124.01676	15.4
135.04539	46.0
136.01729	5.3
137.02483	13.9
161.02551	5.9
179.03526	24.8
179.10797	6.7
185.02414	8.0
197.04544	8.4
210.26837	6.0
217.12268	9.2
219.13901	22.8
220.68378	5.7
245.11833	29.7
263.12903	42.2
279.12347	7.4
295.06290	9.5
321.03998	9.0
339.05286	15.8
351.16434	5.8
389.15997	10.0
407.17136	23.8
425.12796	5.8
425.18280	20.6
450.84863	6.9
467.19302	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	467.3171
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
61.98833	0.7
65.70250	0.6
72.02182	0.5
92.92796	0.7
107.81120	0.6
299.88745	0.6
421.31259	1.1
467.31699	100.0
468.32089	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	468.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
61.98824	1.2
63.24641	0.5
69.11866	3.6
75.63776	0.5
100.64120	0.6
128.67891	0.5
140.02055	2.2
141.99965	0.8
160.49434	0.5
175.01163	0.6
175.05498	0.5
181.95354	0.7
184.01041	100.0
185.01186	6.0
244.78786	0.6
326.02206	33.3
327.02399	4.9
404.02771	1.3
444.41412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88416	0.5
59.01383	2.2
61.98845	1.4
68.95144	0.5
69.75226	2.0
74.92421	0.5
88.31551	0.6
98.21869	0.6
117.85497	0.6
122.15034	0.5
140.02075	2.8
141.00430	0.9
163.38071	0.6
166.48032	0.5
183.01530	2.0
184.01036	100.0
185.01212	6.6
217.00481	0.7
228.03607	0.8
257.89389	0.6
275.99841	0.7
277.99524	1.9
319.00641	0.9
320.00665	3.0
325.02869	0.8
326.02222	31.4
327.02240	5.0
362.01752	2.2
394.14334	0.7
404.03006	4.6
405.02570	1.1
468.01666	1.0
469.30820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35362	4.0
57.03448	4.8
59.01386	70.7
61.98827	3.8
70.91595	3.0
71.01397	31.4
71.05025	3.1
72.99318	5.6
73.02956	4.0
78.30494	3.1
83.01385	4.8
85.02947	13.3
87.00892	4.1
89.02449	35.0
96.96037	6.1
98.21883	11.3
101.02452	22.4
112.98819	9.4
113.02454	11.6
116.40788	3.6
119.03510	11.9
123.04495	3.9
125.02488	4.6
126.02876	3.7
133.02968	21.5
135.04553	26.1
143.03545	3.9
150.03215	6.9
161.02408	11.8
161.04582	5.0
165.05641	5.3
177.01988	6.9
179.03444	7.0
179.05603	9.1
181.14648	3.0
183.86702	3.6
187.07559	3.2
215.07138	3.8
215.10814	6.8
217.12279	4.6
229.01537	4.8
235.13434	4.1
236.13824	3.9
245.11867	100.0
245.68668	3.7
246.12207	5.8
263.12744	3.4
264.13211	7.9
340.51404	3.5
425.18048	4.6
469.21643	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	469.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04222	9.2
59.01388	33.9
61.24186	7.9
61.24925	10.6
61.98635	8.6
69.52093	42.2
71.01392	37.1
89.02451	55.6
97.03043	9.5
98.21861	9.8
101.02425	9.7
109.02965	20.5
112.98867	12.2
121.02892	7.6
124.01682	11.4
125.02457	28.7
127.13452	7.5
131.03546	12.5
133.02974	8.8
137.02371	8.7
139.04001	25.6
141.65674	8.1
146.39406	8.7
149.04523	21.3
150.48790	7.1
153.01942	18.2
188.01529	8.0
191.05696	9.2
233.06686	20.8
293.08774	100.0
324.35342	8.1
328.84738	10.1
433.13477	89.8
469.10880	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
57.05400	0.8
59.01387	83.4
69.03459	2.6
71.01389	47.8
72.99318	38.3
73.02953	49.4
81.03441	1.5
83.01397	9.1
85.02961	3.4
87.00885	1.8
87.83953	1.1
89.02457	3.9
92.50057	0.8
93.03432	1.0
94.98095	3.5
95.05059	1.2
97.02972	3.3
98.21873	1.9
99.00906	1.9
99.04536	0.8
101.02455	31.3
106.32876	0.9
107.05045	1.4
109.02969	1.5
111.04555	1.6
113.02436	8.4
119.03535	3.3
119.05051	1.0
121.02943	1.0
121.06661	1.0
123.04536	2.1
125.02409	1.2
131.03500	1.6
132.02158	1.5
133.02977	19.7
133.06596	1.0
134.03732	3.0
135.03517	1.1
135.04553	19.0
143.03412	1.3
146.03720	2.0
149.02565	0.9
149.04552	1.8
149.05928	0.8
160.05313	2.9
161.02467	73.5
161.04468	6.4
161.06023	12.2
161.09721	2.6
162.02917	3.2
171.04533	1.2
171.08186	2.3
172.05392	1.1
174.10463	1.3
175.04022	1.0
175.07570	1.5
179.03505	9.4
179.10883	1.2
183.08298	1.5
185.06120	2.5
186.06819	1.0
187.07700	0.9
189.09219	10.9
189.12889	10.4
191.10764	1.1
191.14412	3.5
197.04587	2.4
199.07718	1.8
201.07405	1.0
201.09229	15.9
202.09648	1.1
203.10811	1.0
203.14441	4.0
204.11591	1.1
205.08791	1.6
205.67474	1.0
207.10291	6.3
207.13983	5.5
217.08788	4.7
217.12344	6.6
218.09398	1.0
219.06505	1.1
219.10303	2.6
219.13905	16.9
221.06693	1.8
221.15421	1.7
229.12369	4.2
231.13898	2.9
232.11098	8.4
233.08197	17.1
234.12576	0.9
235.13454	5.1
245.08150	7.8
247.13412	61.7
248.13759	2.7
249.14949	12.5
263.12906	2.0
265.14481	17.7
289.07266	6.2
293.56223	0.9
307.08261	100.0
307.15652	3.2
308.08627	6.8
409.18695	4.2
427.19794	1.0
469.11136	2.0
469.20801	72.2
470.21457	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37684	0.6
59.01376	4.3
66.08285	0.6
69.03463	1.2
71.01381	1.0
72.99314	82.6
73.02942	0.8
84.00848	0.5
87.00889	0.9
97.06595	7.8
101.02438	1.1
107.05005	0.7
109.02968	3.1
112.98810	0.7
117.03522	0.9
121.02956	6.1
121.06584	0.6
122.03741	1.6
123.04540	7.3
125.02446	1.6
127.81720	0.6
132.02173	3.6
133.02957	3.0
134.03757	9.8
135.04552	7.0
137.02452	2.4
139.04036	0.8
146.03735	4.6
147.04543	2.0
149.06134	1.8
150.03241	1.3
151.04019	1.9
157.89226	0.6
158.03766	1.7
159.04514	6.4
159.08144	2.1
160.01666	15.0
160.05302	1.3
161.02449	6.1
161.06087	1.4
161.09813	0.6
162.06862	0.9
163.07645	1.6
165.09286	0.7
172.05309	14.7
173.06085	16.9
173.09532	0.6
174.03372	1.3
174.06851	9.6
175.04019	21.9
175.07617	6.8
176.04733	2.1
178.02740	5.8
179.03516	2.8
181.06502	0.7
183.04486	1.3
184.05350	0.7
185.06143	0.9
185.09698	0.9
186.06908	0.9
187.04187	4.5
187.07660	100.0
188.08006	6.1
189.05653	0.8
189.09320	0.8
190.06352	6.6
191.10904	1.4
193.05109	3.1
197.04568	1.3
197.06123	1.0
198.06924	0.9
199.07660	1.7
200.04834	1.4
201.05606	7.0
201.09282	3.6
202.06383	20.6
202.09975	4.2
203.06972	2.0
203.10789	6.4
204.04179	0.9
204.08002	0.8
205.08698	3.2
212.08495	0.7
213.09198	8.9
213.11046	0.7
214.09586	1.2
215.07083	3.2
216.07916	1.8
219.10266	14.7
220.10609	0.7
227.07202	2.3
229.08748	1.4
231.10280	50.5
232.10626	3.4
245.08179	0.7
246.05400	1.5
247.09721	1.0
249.11281	1.1
257.08047	1.2
271.06168	7.0
275.09280	20.8
276.09613	1.7
289.07260	1.8
293.10339	81.0
294.10696	5.5
307.12085	0.8
410.84381	0.7
425.01245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01716	1.0
63.92784	0.3
65.09608	0.3
71.01382	2.4
71.78840	0.5
73.02946	0.6
79.51663	0.4
79.71729	0.3
82.62306	0.3
85.02988	0.6
89.02474	0.4
101.02425	0.4
113.02458	0.6
116.92876	0.8
135.04521	0.5
143.84464	0.4
147.83920	0.4
151.04062	0.7
160.01674	0.6
161.04669	0.5
167.01837	0.6
192.99699	0.5
225.74924	0.3
247.29332	0.4
265.14392	0.6
469.13577	0.6
469.20877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03446	1.9
59.01386	100.0
67.32321	0.8
69.03449	2.5
69.36946	4.3
71.01389	49.7
72.99318	11.1
73.02954	52.2
81.03465	0.9
83.01395	11.9
85.02968	4.2
87.00894	1.9
89.02460	5.7
93.03470	1.0
94.98118	8.1
95.05023	0.9
97.02959	4.2
99.00906	1.7
101.02458	40.5
102.02775	1.0
111.04536	1.5
113.02455	10.8
119.03515	3.6
125.02461	1.3
131.03526	4.6
133.02968	7.2
134.03717	1.6
135.04532	10.8
136.04842	1.1
143.03485	3.2
145.02898	1.0
146.03810	1.1
149.04553	4.6
153.14502	0.9
153.91124	0.9
161.02475	20.3
161.04568	8.5
161.06064	3.8
161.09763	2.4
162.02867	0.9
163.07640	1.1
175.04013	0.9
179.03503	4.2
179.10796	1.7
185.06033	1.1
189.09210	4.3
189.12877	13.4
190.13066	1.1
191.10829	1.3
191.14439	3.8
197.04713	1.5
201.09282	4.6
203.05672	1.6
203.14415	3.8
204.11658	1.5
205.12370	1.2
207.10190	3.3
207.13937	5.7
217.08762	1.6
217.12383	7.3
219.13919	18.4
220.14293	1.1
221.06691	2.1
221.15419	2.6
229.12280	4.5
231.10347	1.2
231.13879	2.6
232.11110	10.9
233.08229	3.9
234.12527	1.6
235.13480	7.0
245.08157	1.5
246.12668	1.4
247.13409	71.9
248.13744	3.7
249.14978	13.8
263.12814	2.2
265.11691	0.6
265.14450	17.3
289.14557	1.6
307.08279	23.3
307.15509	1.5
331.15756	1.3
409.18774	4.0
427.20044	1.7
469.20828	84.7
470.06171	0.9
470.21103	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93969	4.8
55.44115	4.7
59.01402	8.3
59.48955	4.0
69.10971	30.7
71.01382	9.4
71.72520	4.5
72.99306	20.1
75.00892	20.0
78.60989	3.6
78.81758	4.4
81.58754	4.6
99.00896	8.0
101.73583	4.0
112.98814	9.7
121.02937	7.0
134.03760	4.4
135.03014	33.4
135.04521	44.2
142.99889	9.9
156.00630	5.7
161.02440	29.9
165.12839	13.4
173.00969	5.9
174.01703	79.6
175.02330	8.0
175.07626	5.4
177.70016	4.2
178.10036	5.9
179.03484	25.7
213.61333	4.3
279.23270	20.6
289.21628	9.9
295.22781	16.5
307.22852	32.4
315.19553	7.0
317.21237	9.1
319.22699	7.2
323.22137	7.1
329.21201	14.3
333.20749	47.4
334.21011	4.5
335.22363	10.6
347.22189	31.5
351.21744	43.1
371.22281	6.6
373.20425	25.9
389.23389	8.4
391.21298	12.1
403.21222	14.9
415.21350	12.5
433.22131	20.1
451.23376	13.8
469.33292	100.0
470.33734	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	469.2962
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
51.62634	1.0
57.37095	1.1
71.42715	1.2
85.40054	1.0
91.86711	1.1
98.69304	1.0
119.56715	1.0
155.19806	1.1
161.02460	1.9
161.07455	1.1
321.26001	1.2
389.24716	1.7
403.04404	1.2
405.27722	3.3
423.29086	79.1
424.29431	6.6
425.30740	1.6
469.29599	100.0
470.04111	2.4
470.29797	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	469.2964
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
57.62235	0.9
59.01381	2.6
71.09713	0.9
71.26276	1.2
72.99318	2.5
74.38203	0.8
77.98533	0.9
83.04627	1.1
83.05030	9.1
84.03496	0.9
92.69467	1.2
97.06580	1.0
98.22651	1.0
108.50571	0.9
114.52823	1.1
122.93232	1.0
133.02931	1.9
134.03781	1.4
135.04543	2.2
137.02467	1.3
151.03992	2.8
151.37935	0.9
160.01634	1.8
161.02441	5.3
165.93724	0.9
175.04002	4.7
178.02684	1.4
179.03563	1.0
293.09985	1.1
311.23999	1.7
341.24875	3.1
349.55154	1.0
361.25372	1.6
377.28296	1.3
389.28494	2.9
405.28140	1.6
407.29776	5.1
425.30695	1.7
439.28860	1.7
451.28568	18.0
452.29010	2.3
469.29581	100.0
470.29999	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	469.3329
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
60.13300	0.4
61.98852	0.6
71.25632	0.5
71.75294	0.4
121.39830	0.5
126.88752	0.4
133.18294	0.5
144.69435	0.4
207.72520	0.5
353.39999	0.5
451.28598	0.5
460.09583	0.4
469.33325	100.0
470.33725	12.8
490.60016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56612	0.7
68.51103	0.6
98.21786	1.2
140.83209	0.6
177.12660	0.6
229.20183	0.8
287.50546	0.6
407.33224	0.7
469.33258	100.0
470.33643	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	469.3327
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
70.55393	0.5
78.95933	0.4
89.67509	0.2
125.28782	0.3
128.49388	0.3
182.80571	0.3
209.07491	0.3
255.23195	0.4
454.28253	0.3
469.33264	100.0
470.33636	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	469.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26946	0.4
61.72296	0.4
61.83986	0.3
66.83257	0.4
69.11312	2.7
84.34249	0.4
87.38868	0.4
205.76868	0.4
239.18280	0.4
262.26859	0.5
289.21722	0.7
319.17017	0.5
393.27988	2.7
394.28571	0.5
407.29517	3.6
409.31079	2.4
410.31653	0.6
421.31021	0.7
423.32700	77.9
424.27438	0.7
424.33054	10.8
424.43271	0.4
425.01740	0.5
425.34641	2.6
452.89063	0.4
469.33258	100.0
470.26849	0.7
470.33594	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	469.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	0.7
62.06826	0.4
63.18691	0.4
70.48878	1.0
79.40354	0.6
82.69160	0.5
114.07928	0.4
146.71533	0.5
149.90967	0.4
161.83249	0.5
163.11208	0.5
184.25027	0.5
199.66118	0.4
299.99136	0.5
302.04965	0.5
377.28632	0.6
393.31757	0.7
423.32471	0.7
425.01764	1.1
469.33276	100.0
470.33636	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	469.333
Annotation	GANODERONE C
Peak:m/z	Relative Intensity
58.88620	0.5
58.95111	0.5
69.73890	2.0
74.43185	0.6
74.96219	0.5
78.95936	0.8
98.21967	0.6
152.99655	0.7
217.66801	0.6
241.21877	1.0
246.62711	0.7
257.90558	0.6
439.32239	77.9
440.32510	11.4
469.33286	100.0
470.33606	12.6
473.46326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23500	0.5
67.54636	0.5
72.99316	24.6
78.09026	0.5
87.91087	0.5
97.91672	0.5
98.21799	1.2
105.03461	1.4
107.05031	0.8
109.01212	0.8
119.05090	0.7
123.04545	10.4
132.02191	1.1
133.02917	3.4
134.03693	1.2
135.03502	0.9
135.04541	18.0
137.00690	5.9
139.02213	0.6
151.04010	0.7
160.01675	10.0
163.99399	0.7
165.00186	13.2
167.01735	16.3
179.03510	12.8
180.03831	0.6
192.99661	100.0
194.00031	2.9
197.04568	17.3
211.00731	4.3
285.59210	0.5
290.96606	2.3
297.13290	0.5
313.60928	0.5
391.04987	54.5
392.05075	3.8
471.00748	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.06
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	2.6
59.01390	12.0
66.08195	1.0
70.60649	1.1
71.01387	1.3
72.99324	1.9
78.95915	9.8
79.95734	3.0
81.83217	1.2
82.57315	1.2
86.28277	0.9
96.96027	100.0
96.96941	15.1
99.04536	2.2
119.05137	1.3
123.04557	1.3
135.04541	7.3
143.52802	1.1
145.02841	1.0
160.01688	1.6
161.06264	1.1
163.04005	2.1
175.03978	3.8
179.03525	3.2
191.48010	1.0
197.04587	1.5
216.33687	1.0
233.01280	1.3
308.88550	1.1
324.06998	1.0
367.05020	1.7
373.09125	1.5
385.85043	1.0
394.99356	1.0
439.33740	1.0
481.05148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57721	0.4
59.01375	1.5
61.25442	0.4
69.62005	1.6
72.99303	1.8
76.49634	0.4
78.25471	0.5
78.95911	8.1
79.95749	3.6
90.68545	0.4
96.79487	0.4
96.96021	100.0
96.96934	12.9
98.22737	0.4
100.92175	0.4
102.56404	0.5
104.85257	0.5
123.04542	0.7
127.32947	0.4
134.03702	0.6
135.04530	4.3
160.01665	0.9
161.02492	0.7
173.31120	0.4
175.04062	1.5
179.03539	1.7
192.99617	0.7
197.04576	1.3
233.01376	0.6
252.40146	0.4
308.03653	0.5
321.04117	1.1
352.02530	0.5
367.04895	1.0
373.09543	0.8
383.23114	0.4
411.04153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
65.82034	0.2
69.88719	0.6
69.89117	0.2
71.01405	0.5
72.99319	0.8
73.02956	0.7
74.91232	0.2
77.01801	0.2
78.95889	0.5
79.95745	2.5
87.86375	0.2
96.83160	0.2
96.96021	100.0
97.95944	0.3
100.89405	0.2
101.02422	0.4
102.02766	0.2
109.02979	0.9
123.04533	0.5
128.22983	0.2
135.04549	3.2
136.04846	0.2
139.29051	0.2
145.03049	0.2
169.58832	0.2
172.90106	0.2
179.03506	2.5
185.02417	0.4
192.99657	0.2
197.04550	1.0
237.05443	0.2
242.43658	0.2
247.13393	0.2
248.13681	0.4
270.07452	0.2
279.02853	0.3
293.04614	0.3
294.92346	0.2
311.50339	0.2
321.04077	0.6
339.05145	0.8
340.05542	0.5
373.09320	1.9
470.21329	0.5
471.07108	0.3
471.21622	0.6
471.31046	0.4
485.15274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81657	3.2
59.01379	11.3
59.77359	3.4
63.63676	3.7
68.99821	4.9
72.99311	33.6
87.00887	21.0
98.21810	7.8
111.00899	4.3
112.98826	29.8
117.03489	11.5
119.05044	87.1
121.02942	4.3
129.03488	4.6
130.99904	7.9
132.02255	5.5
133.02951	6.0
134.03760	61.9
135.04524	3.9
143.05040	6.0
145.02974	51.2
147.04570	33.4
149.06114	18.4
151.04050	3.2
158.03731	3.3
159.04507	3.6
160.01645	21.0
161.02451	14.3
161.06111	9.8
162.03253	20.3
163.04012	38.1
171.04536	3.6
175.04016	51.5
176.04797	5.1
177.05562	10.3
178.02713	5.1
186.03276	4.6
189.05612	4.7
190.02737	11.5
191.07188	7.3
193.05098	30.3
203.03516	100.0
204.03891	4.4
205.05014	15.5
215.03548	17.7
218.02211	3.8
219.06555	5.5
230.02263	4.5
233.04581	79.9
234.04948	3.6
245.04642	7.8
259.02451	4.5
277.03552	87.9
278.04044	3.9
289.03650	6.1
307.04645	78.4
308.05103	3.9
376.84598	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	471.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03146	2.7
59.01371	7.7
65.00325	2.6
68.99822	5.2
72.99316	34.8
74.07283	2.5
82.18703	2.7
87.00890	30.6
89.56470	2.6
93.03452	3.5
98.21822	7.4
111.00888	9.0
112.98819	33.7
117.03474	15.9
119.05046	92.1
121.02966	7.5
127.00352	3.6
129.03438	3.1
130.04335	2.5
130.99911	8.1
131.05028	4.9
133.02982	6.4
134.03749	68.6
135.04565	5.3
143.05043	7.2
145.02972	59.3
146.03731	2.8
147.04538	40.2
149.06097	16.9
151.04036	4.5
159.04536	5.7
160.01683	24.2
161.02507	13.6
161.06096	10.2
162.03267	26.5
163.04042	39.9
175.04025	51.2
176.04718	7.6
177.05602	12.0
178.02716	3.7
186.03346	3.2
189.05580	6.9
190.02696	13.5
191.07164	8.8
193.05064	31.3
202.02722	8.2
203.03532	100.0
204.04042	4.1
205.05043	21.9
215.03580	12.8
218.02257	3.7
219.06378	3.5
230.02208	6.9
233.04594	82.2
235.06006	4.3
245.04433	5.5
259.02560	7.2
277.03564	93.1
278.03766	4.3
289.03619	4.6
307.01077	5.6
307.04611	93.2
308.04889	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	471.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	10.7
65.00320	2.2
68.99818	7.8
69.40692	7.1
69.41102	3.0
72.99323	28.4
84.99290	2.2
87.00363	1.9
87.00887	33.6
88.99078	1.7
90.27722	1.6
93.03458	1.9
98.21917	2.4
103.00364	3.1
111.00908	5.4
112.98825	17.9
117.03484	13.4
119.05043	90.0
120.05387	3.4
121.02972	4.3
123.04526	2.6
127.00394	4.8
129.03435	2.3
130.99873	10.1
131.04984	1.9
132.02200	4.6
133.02956	7.2
134.03761	90.0
135.04544	5.7
136.01695	2.1
136.86015	1.8
137.21373	1.8
143.05055	5.7
145.01857	3.4
145.02977	44.8
147.04550	34.2
149.00945	22.9
149.06088	18.2
151.03979	3.2
153.99661	1.7
159.04552	5.4
160.01688	18.3
161.02495	16.7
161.06090	8.6
162.03255	17.9
163.04039	41.5
171.04622	3.1
175.04033	48.2
176.04688	4.9
177.05589	9.6
178.02701	6.3
179.03549	2.2
184.95723	2.1
186.03185	2.5
189.05586	5.1
190.02739	12.9
191.07170	5.2
193.05083	62.5
194.05453	2.5
202.02756	7.0
203.03517	100.0
204.03923	4.8
205.05092	16.2
215.03517	12.8
218.02214	5.7
219.06639	3.8
230.02208	4.5
233.04585	70.5
234.04974	2.8
235.06248	4.9
245.04662	5.1
249.04099	1.9
259.02414	5.3
263.05597	2.9
277.03552	68.8
278.03766	2.2
289.03482	5.7
295.04575	6.1
298.40601	1.8
307.04651	58.5
308.04929	4.6
316.01865	1.6
325.05588	6.9
388.81073	1.8
436.65277	1.7
438.03531	2.2
442.75452	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21311	3.0
55.66162	3.4
59.01386	38.0
65.17554	3.5
68.99818	4.6
71.01389	8.8
71.41171	3.8
72.99313	100.0
85.02946	5.0
87.00889	12.6
89.02457	7.8
99.04575	4.0
101.02460	4.4
109.99676	4.2
111.00890	5.6
112.98821	19.9
113.02470	5.1
113.06116	6.8
117.03500	12.3
119.05039	71.8
121.02979	12.9
123.04535	19.5
127.00436	4.1
129.03481	7.0
130.99864	6.7
131.05045	4.0
133.02956	13.8
134.03758	60.8
135.04552	52.8
137.02390	5.1
143.05031	7.6
145.02974	35.7
147.04506	35.8
149.00900	4.9
149.02463	10.8
149.06122	12.4
150.03238	10.5
151.04002	6.6
153.05515	4.3
155.38217	4.3
158.03799	4.0
159.04517	4.7
160.01675	22.2
161.02461	43.8
161.06093	9.8
162.03250	18.4
163.04037	66.0
174.03181	3.7
175.03998	52.8
176.04663	5.6
177.05588	6.2
178.02835	5.9
179.03490	19.7
189.05640	9.8
189.59909	4.0
190.02654	11.8
191.07082	7.3
193.05064	48.1
197.04561	57.3
203.03525	67.6
205.05086	15.8
215.03555	7.7
217.08763	4.7
233.04547	49.9
237.04129	11.0
245.04585	4.4
259.02484	6.8
277.03500	52.9
291.08838	5.4
296.43951	3.9
307.04660	52.7
309.09833	95.3
310.10123	7.7
352.11633	4.4
471.14362	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	471.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82811	0.3
55.32652	0.3
59.01384	2.6
71.01404	1.3
73.02939	0.7
84.70268	0.3
85.02951	0.6
93.03459	0.8
96.96024	1.9
98.22612	0.9
101.02428	0.7
113.02475	0.4
117.02647	0.8
117.03484	14.4
119.05040	100.0
120.05377	3.7
133.06564	0.4
135.04512	0.7
145.02966	61.2
146.03314	2.3
161.02408	0.5
161.06120	1.1
163.04027	56.2
164.04352	2.2
175.04022	0.4
187.03920	0.8
205.05046	0.5
225.90619	0.4
307.08258	39.5
308.08673	2.7
471.13016	13.7
472.13446	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37407	0.2
56.30336	0.2
59.01388	9.3
59.67364	0.2
71.01394	2.1
72.99316	1.1
73.02978	1.2
83.01382	0.6
85.02943	0.8
85.47400	0.2
89.02454	0.9
93.03469	0.5
95.01434	0.3
96.96040	1.6
96.99358	0.2
101.02448	1.3
113.02473	1.0
117.03484	27.1
118.03765	0.6
119.05047	22.2
120.05363	0.8
121.02967	0.3
123.04538	0.5
133.02977	0.9
133.06598	1.4
134.03723	0.7
135.04550	2.3
145.02974	100.0
146.03313	3.7
147.04544	0.6
159.04509	0.8
161.02478	2.8
161.04718	0.4
161.06111	3.3
162.03032	0.4
163.04039	18.3
164.04356	1.1
175.04041	0.3
176.96989	0.4
177.05582	0.8
179.03520	0.9
179.10817	0.9
187.04036	3.8
193.05066	0.4
197.04533	0.8
203.03416	0.2
205.05090	2.8
217.05072	0.4
221.09750	0.5
221.11801	0.4
229.05191	0.5
229.23993	0.2
233.04451	0.3
235.06152	1.7
247.06145	0.3
249.15094	0.6
265.07135	4.3
277.03220	0.3
293.50143	0.3
301.64563	0.3
307.04919	0.6
307.08264	14.3
308.08444	0.7
325.09387	1.4
330.54718	0.3
351.08719	0.3
359.07758	0.4
411.10922	1.1
471.13028	6.6
471.22787	0.8
472.13376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49052	1.5
57.89029	1.6
59.01383	24.6
62.40201	1.7
64.09851	1.8
68.99824	1.8
69.23850	7.1
71.01385	7.9
71.56382	1.6
72.99313	16.9
73.02950	3.7
85.02958	10.0
87.00877	16.8
89.02455	4.2
101.02466	6.8
103.00405	1.7
111.00926	3.8
112.98829	14.4
113.02468	2.5
117.03495	6.8
119.05042	36.1
120.05392	1.8
121.02982	1.6
123.04557	2.2
125.33008	1.7
127.00414	2.1
129.03445	1.8
130.99875	3.7
131.03537	1.7
132.02190	14.4
133.02985	7.5
134.03751	66.0
135.04523	6.9
137.02467	2.7
143.05029	3.2
143.33104	1.8
145.02966	17.8
147.04529	15.6
149.00948	1.8
149.06099	11.5
159.04529	2.0
160.01672	68.7
161.02467	10.0
161.06056	4.1
162.03194	12.0
163.04018	22.9
172.41768	1.7
175.04022	100.0
176.04703	7.3
177.01935	2.2
177.05556	3.9
178.02763	5.3
179.03490	5.0
189.05563	2.3
190.02733	6.9
191.07121	9.3
193.05075	59.9
194.05481	3.2
197.04555	4.3
202.02827	2.7
203.03516	39.4
204.04131	1.7
205.05090	5.2
207.06573	2.1
215.03566	6.4
218.02252	2.7
230.02299	2.1
233.04546	30.5
234.05026	1.9
235.06129	14.2
245.04585	3.4
259.02579	3.5
265.07217	6.4
277.03546	36.9
289.03375	2.3
295.04892	3.7
295.08276	8.5
307.04620	31.7
308.05127	2.9
309.09842	5.6
325.05667	2.0
332.80698	1.8
397.11407	75.6
398.11890	5.8
429.21027	1.9
471.15021	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
59.61900	0.4
63.02394	0.5
72.99331	0.8
79.05531	0.8
81.03448	2.6
85.77580	0.4
91.01911	5.8
98.21793	0.8
105.03513	0.5
117.03454	0.4
119.05054	4.6
122.03742	1.3
133.10210	0.7
135.04512	0.6
135.11833	6.0
137.09750	9.3
145.02960	2.2
161.02417	0.7
161.09737	3.4
163.04033	1.9
177.09178	0.4
179.10793	100.0
180.11090	3.4
203.10939	0.4
205.08708	29.2
206.09146	1.1
221.11722	0.5
223.09770	8.6
224.10184	0.4
264.28229	0.4
265.10831	0.7
298.97449	0.3
299.01651	0.4
307.08298	1.2
309.09729	0.6
385.15335	0.6
427.16113	60.6
428.16360	5.3
449.35950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70936	0.2
59.01385	100.0
60.01719	1.1
69.11684	1.7
71.01376	2.1
72.99330	0.7
73.02950	4.0
79.37553	0.3
83.01418	0.9
85.02962	0.6
87.00923	0.4
89.02469	0.9
96.95981	0.3
101.02455	4.4
101.03094	0.3
113.02460	2.0
117.03497	1.4
119.03625	0.6
119.05042	7.5
131.03574	0.3
133.02910	0.2
134.03709	0.2
135.04587	0.7
137.09818	0.4
143.03606	0.3
145.02968	4.6
149.04643	0.4
161.02472	0.5
161.04597	1.1
163.04025	6.3
197.04497	0.4
203.03632	0.5
221.06801	0.4
284.09671	0.3
307.04996	0.5
307.08209	2.5
307.11032	0.2
471.12924	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.3
59.01385	100.0
61.12784	0.7
71.01395	2.8
72.99316	9.5
72.99699	0.7
73.02956	1.9
83.01431	1.2
85.02948	0.7
87.00891	0.8
90.33875	0.7
96.96023	4.1
101.02465	1.6
109.02968	6.7
113.02470	1.2
113.09755	2.4
121.02995	2.6
123.04527	11.3
133.02997	1.9
134.03775	1.8
135.04552	10.3
136.04880	0.8
137.02507	2.8
137.09761	0.9
141.09303	2.9
143.07187	2.0
145.03008	0.7
147.00987	0.9
149.02498	1.7
151.04018	2.8
161.02518	2.5
161.04495	0.8
166.94542	0.7
167.07156	1.5
179.03532	6.7
180.04164	0.8
181.05113	2.0
185.02475	3.9
186.03159	1.0
192.11662	1.3
192.99696	2.3
197.04594	5.9
203.05917	0.8
207.13931	20.6
209.06305	0.8
211.06187	1.3
221.06238	0.8
225.05681	0.9
237.05612	0.9
249.05685	2.0
251.03593	1.3
264.04095	0.9
265.05167	1.3
266.05405	0.8
267.06763	0.9
277.05161	2.2
278.05420	0.7
279.03018	4.0
280.03769	1.7
282.05316	1.4
285.10315	0.8
293.04559	3.8
295.06134	3.7
303.03036	0.7
305.04688	0.9
306.15329	0.7
319.02676	1.1
321.04062	17.4
322.04541	2.3
339.05096	4.8
340.05115	0.9
344.05478	3.2
359.07507	1.2
391.05478	0.8
391.10352	1.8
430.69742	0.8
471.22937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
56.37218	0.3
57.03459	0.7
59.01386	100.0
60.01741	0.6
61.98848	0.4
68.85535	0.3
69.65903	0.4
69.66248	1.3
71.01393	6.9
72.99322	1.9
73.02960	2.6
74.41799	0.3
83.01396	0.9
85.02955	2.8
87.00893	1.6
89.02450	3.2
95.01415	1.0
96.07511	0.3
96.96022	1.3
99.00877	0.6
101.02453	3.8
103.54207	0.3
111.00909	0.8
112.98867	1.7
113.02463	7.6
115.92065	0.4
117.03475	0.8
119.03519	1.2
119.05045	5.7
121.03006	0.6
128.90201	0.7
131.03511	0.4
133.02945	0.5
134.03740	3.2
135.04530	1.0
142.19128	0.4
143.03589	0.8
145.02988	2.8
147.04564	1.4
149.06134	0.8
149.09796	0.5
160.01735	0.9
161.02467	1.8
161.04604	2.3
161.05994	0.6
162.03226	1.0
162.38351	0.3
163.04034	2.1
172.53021	0.4
175.03975	2.7
176.04599	0.6
177.01964	1.6
179.03490	0.7
179.05666	0.6
189.05663	0.5
190.02768	1.0
191.07179	0.7
193.05119	1.7
203.03532	5.6
203.05272	0.6
205.05107	0.9
215.03523	0.5
218.02177	0.4
220.55745	0.3
233.04547	4.7
254.97272	0.4
259.02567	0.8
277.03555	4.1
307.04584	4.7
411.20395	2.0
429.21188	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	471.3123
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
59.01377	1.5
69.69698	2.3
133.02968	0.8
135.04536	1.3
137.02415	0.7
158.12755	0.6
161.02449	2.5
236.02925	0.6
321.25891	8.5
322.26181	1.1
333.22534	0.7
358.22995	1.4
363.27002	2.9
371.27335	0.9
373.25366	2.8
389.28613	2.0
391.26288	0.9
392.27261	1.7
407.29434	4.7
423.25314	1.7
432.78369	0.7
453.30130	100.0
454.30420	14.1
471.31097	56.0
471.35452	29.2
472.31482	7.6
472.35944	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	471.3119
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
55.47149	0.2
59.01372	0.5
68.68401	0.2
71.01407	0.4
71.05008	0.4
71.41637	0.3
72.02193	0.3
72.99312	2.3
73.02950	0.4
96.96015	1.3
103.73129	0.3
108.02232	0.4
109.02957	1.6
109.06609	0.3
123.04531	0.8
124.01674	0.7
135.04547	2.4
135.08191	0.4
139.04005	0.6
149.02467	0.5
149.09775	0.5
151.04068	0.3
161.02411	0.5
166.70091	0.3
179.03488	1.2
185.02475	0.9
189.12878	1.7
192.99768	0.5
197.04546	1.8
225.16525	0.5
237.05548	0.3
251.03462	0.4
253.19502	0.3
263.06995	0.4
264.07040	0.4
265.05124	0.6
267.06509	0.3
277.05179	0.5
279.03015	0.9
291.03073	0.3
293.04532	0.9
295.05997	0.9
303.02951	0.3
321.04099	2.2
321.25833	0.5
322.04617	0.5
339.05017	1.5
340.05399	0.6
347.23959	0.4
358.47559	0.3
359.23676	0.4
361.25217	0.4
363.27017	2.4
364.27194	0.5
373.29044	0.3
375.26923	0.9
377.24393	0.6
377.28787	1.5
379.30045	4.6
380.30383	0.6
389.28705	0.7
391.30142	12.0
392.30597	1.3
393.28113	0.7
407.29617	3.6
408.29901	0.7
409.31168	15.6
410.31552	2.3
411.29150	0.3
423.28983	0.4
425.30652	6.1
426.31097	0.7
427.32269	0.7
441.30093	3.5
445.33185	0.3
453.30042	3.2
471.31177	100.0
472.31531	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	471.3121
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
50.41755	0.9
53.47753	0.9
53.60070	1.0
61.98838	1.4
69.38583	5.1
71.05015	1.5
78.91885	3.7
86.25020	1.0
92.28066	1.0
98.21897	1.9
167.42474	1.0
182.77960	1.2
308.27243	1.3
391.30045	2.2
402.44464	1.0
409.31241	2.2
411.28973	1.2
453.30145	15.5
454.30685	2.2
471.00177	2.4
471.31079	100.0
472.31390	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	471.3118
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
69.03451	0.6
80.55221	0.7
117.09740	0.8
135.04462	1.2
161.02428	1.9
162.83875	0.8
216.95906	0.7
377.28439	1.1
407.33768	0.9
441.29977	1.7
445.69339	0.7
453.30331	1.8
458.20367	0.8
471.31146	100.0
472.31543	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	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53168	0.3
71.03362	0.5
100.96976	0.3
135.72845	0.4
178.93333	0.4
239.05440	0.4
255.28557	0.3
293.87051	0.3
307.75186	0.3
471.34821	100.0
472.35187	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	471.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76958	0.3
69.65110	1.3
108.94637	0.4
133.06906	0.4
214.34940	0.4
224.05090	0.3
407.33368	0.7
425.34329	0.4
427.11996	0.4
471.34839	100.0
472.35168	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	471.3483
Annotation	Odoratone
Peak:m/z	Relative Intensity
63.05748	0.7
71.19274	0.8
96.99910	0.7
192.07962	0.8
270.50363	0.8
308.76147	0.8
372.59454	0.8
388.08868	1.0
455.90579	0.8
471.34814	100.0
472.35208	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	471.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07844	0.3
61.99750	0.3
69.84657	0.4
69.85012	1.0
86.40911	0.3
106.96156	0.3
129.55582	0.3
377.20587	0.3
471.34842	100.0
472.35205	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	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03850	0.3
94.95711	0.4
105.02011	0.4
149.51213	0.4
155.14116	0.4
157.89241	0.4
164.21730	0.4
229.04277	0.4
256.61325	0.4
257.65396	0.4
292.17102	0.4
351.88580	0.4
377.28464	0.6
393.31818	0.7
423.32724	1.0
471.34818	100.0
472.35147	13.9
489.35791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3485
Annotation	Odoratone
Peak:m/z	Relative Intensity
58.60325	0.3
69.74559	1.3
85.38029	0.3
98.22588	0.5
154.52165	0.3
191.69908	0.4
471.34808	100.0
472.35147	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	471.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	1.7
71.05363	0.4
78.94493	0.2
79.68034	0.2
81.76936	0.3
203.98738	0.3
245.00206	0.3
286.22864	0.3
335.23886	0.4
351.26965	3.0
353.28552	4.8
354.28815	0.6
383.29465	0.5
407.28229	0.5
407.33243	5.8
408.33545	0.7
425.34308	0.8
453.33627	1.6
471.34842	100.0
472.35236	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	471.3486
Annotation	Hispidone
Peak:m/z	Relative Intensity
67.37305	0.5
70.49298	1.1
73.17312	0.6
96.67205	0.6
97.06612	2.9
99.94174	0.6
133.02986	1.0
135.04535	1.0
135.73557	0.6
153.55496	0.6
161.02432	2.6
179.03464	0.6
180.61987	0.7
219.02547	0.5
351.67889	0.7
389.28357	1.5
391.30194	3.8
405.31699	3.8
407.33167	9.4
408.33542	0.9
413.13992	0.6
423.28967	0.7
439.32211	0.6
441.33722	1.4
451.32230	9.0
453.33768	39.2
454.34055	3.7
471.34827	100.0
472.35275	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	471.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31077	0.7
63.53743	0.7
69.70348	0.7
71.46031	0.9
73.79565	0.7
81.16895	0.8
95.18217	0.7
96.20212	0.8
97.62686	0.8
102.09537	0.8
130.89429	0.7
197.18842	0.8
213.76480	0.8
221.68204	0.8
389.16354	0.9
455.45300	0.8
471.34824	100.0
472.35059	11.5
491.08661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	Hispidone
Peak:m/z	Relative Intensity
60.99312	0.8
69.68925	2.3
83.05051	0.8
116.92874	0.9
124.80538	0.7
179.03383	0.6
278.21307	0.7
379.30170	1.1
407.33142	1.8
407.65411	0.8
425.34390	2.8
453.33786	8.2
454.34344	1.1
471.34824	100.0
472.35162	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	471.3484
Annotation	Hispidone
Peak:m/z	Relative Intensity
51.48902	0.4
60.99311	3.5
76.94501	0.4
86.34027	0.5
97.06625	0.5
100.50837	0.5
137.09729	1.2
150.27139	0.4
151.01595	0.4
195.47372	0.5
303.81305	0.5
345.17163	1.2
405.31842	0.7
407.33246	6.0
408.33627	0.8
427.32187	1.9
441.33658	0.6
451.32330	0.4
453.33853	3.3
471.34830	100.0
472.35135	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	471.3485
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01371	0.3
60.99319	1.3
60.99591	0.2
67.21220	0.2
69.03461	0.3
78.36002	0.2
96.84858	0.2
98.22704	0.5
108.02188	0.4
125.60516	0.2
132.27165	0.2
161.02382	0.3
222.33989	0.2
266.99863	2.6
335.23944	0.3
351.26978	2.8
353.28540	4.2
354.28732	0.4
369.28336	0.3
383.29617	0.5
405.31747	0.3
407.33276	4.3
408.33868	0.4
423.32739	0.5
425.34473	0.6
453.33804	0.9
471.34836	100.0
472.35190	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	471.3486
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.48353	0.7
61.98846	3.5
68.33129	0.8
71.05023	1.5
72.99326	0.9
97.06598	1.3
100.89728	0.9
107.71848	1.0
120.45511	0.9
135.04558	1.8
161.02502	3.4
171.36794	0.8
179.03633	1.3
366.84479	0.8
407.33246	5.8
425.34592	1.2
441.30191	1.6
471.35065	100.0
472.35538	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	472.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
60.49853	0.2
61.98836	19.0
69.27449	0.5
69.27853	1.1
72.77061	0.2
95.24020	0.3
109.02969	0.5
120.13548	0.3
132.02196	1.0
133.02972	22.1
134.03285	0.7
135.04520	1.2
146.03716	0.6
149.02426	1.3
149.06119	0.4
150.03262	3.4
150.62315	0.3
159.04538	0.6
161.02461	100.0
162.02798	3.5
172.05341	0.4
173.06041	0.3
174.03253	2.3
175.03996	0.9
175.07689	0.8
177.05550	0.3
179.03529	0.3
187.07710	0.5
200.04849	1.3
201.09457	0.2
203.03462	0.4
203.07150	5.7
204.07361	0.3
205.08646	1.3
211.07657	0.5
215.07205	0.4
218.05907	0.4
229.08658	1.8
247.09781	6.6
248.10014	0.5
272.28696	0.3
312.06494	0.3
321.11264	0.9
365.14001	1.7
409.12933	7.4
410.13055	0.6
415.34656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21041	1.8
59.01388	100.0
59.22619	2.2
66.91872	2.2
69.78027	1.9
71.01392	16.8
71.43093	2.9
72.99310	14.0
73.02960	4.7
83.01378	2.8
85.02961	8.7
87.00899	4.0
89.02460	9.4
101.02452	14.4
109.02943	6.9
113.02457	8.6
117.56106	2.1
119.03522	5.0
119.05066	6.8
120.05370	3.4
121.02969	4.5
123.04507	2.8
134.03735	9.8
135.04445	7.1
135.33847	2.0
143.03452	2.5
145.02972	2.3
149.02461	2.7
150.03242	3.2
151.85890	2.2
160.01642	3.5
161.02443	12.1
161.04602	5.4
162.02916	2.4
163.03976	6.7
164.04459	3.0
175.03926	4.1
185.02480	4.9
190.02701	3.4
193.05028	4.8
194.05460	6.4
197.04536	4.0
203.03447	8.3
204.03960	2.8
205.05180	3.0
206.05482	4.6
233.04520	2.5
234.04964	4.8
249.05580	3.3
274.08359	2.3
277.03796	2.8
278.03778	4.8
279.03033	6.2
279.14026	2.2
285.57172	2.4
293.04468	5.2
293.10391	2.9
295.05728	3.5
307.04486	2.7
308.04730	4.3
309.24594	2.3
310.10159	5.4
321.04172	21.3
339.05011	13.7
368.00061	11.0
369.19083	7.2
387.20349	20.2
388.19763	2.3
413.21524	3.4
429.21268	6.9
472.00937	3.7
472.15015	4.3
473.08719	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	472.9698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71355	0.9
59.01387	69.3
60.01729	1.4
62.62492	0.9
65.46834	0.8
69.24642	3.4
69.25053	1.3
71.01375	1.3
89.02480	1.2
98.22749	1.6
111.89536	0.9
114.47763	1.0
117.00474	1.3
132.98248	2.6
135.04521	1.0
136.07895	0.9
141.00502	3.0
152.36266	0.9
156.99962	1.4
161.02446	1.1
174.99266	33.4
180.98479	1.4
198.48126	0.9
217.00323	100.0
218.00758	2.1
222.99539	3.2
223.99904	1.0
241.00656	1.0
250.98811	1.7
272.96121	1.9
283.01608	4.0
314.97183	2.2
331.65280	1.0
353.01694	1.4
374.99237	38.0
375.99750	1.9
380.72455	1.0
400.38345	1.0
431.08932	2.0
436.90253	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.00099	1.9
63.41225	2.0
71.01391	2.8
72.99316	18.0
77.03972	4.1
83.83479	2.3
84.93896	7.7
89.04018	2.6
93.03442	3.1
95.05040	7.3
96.96024	34.7
96.96967	2.6
98.95606	35.3
98.96440	6.6
99.36640	2.5
99.92599	50.7
100.92626	3.5
100.93377	10.7
105.03481	22.1
115.92091	7.1
116.92881	9.4
121.02969	12.9
121.74080	2.3
123.04528	8.6
128.92883	5.8
132.02205	4.1
133.02977	87.7
134.03700	7.5
135.04552	7.1
139.91536	2.4
149.02441	17.9
150.03210	7.4
151.04021	7.3
156.92366	47.3
160.01724	18.5
161.02408	6.5
162.03239	2.2
165.42009	2.2
175.04022	31.6
177.01956	23.3
179.03423	3.0
193.05101	3.0
204.95940	13.3
205.96808	17.5
206.97525	8.0
215.95236	16.0
216.96010	7.9
217.96825	6.6
218.97537	3.3
219.94769	5.0
232.95569	7.7
233.96275	46.5
234.97089	27.5
235.97191	3.6
244.59868	2.4
247.88051	2.1
252.27252	2.5
260.94986	6.0
261.95685	4.9
277.95258	36.5
278.96024	22.6
321.04120	3.6
327.08728	6.2
339.86813	2.6
352.00409	5.1
367.02713	6.5
381.00797	8.0
393.00681	10.0
411.01694	2.5
455.00876	30.2
456.01083	3.6
473.01675	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	473.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42163	0.7
81.03461	0.5
88.40757	0.4
93.03476	0.6
101.04032	0.6
105.03500	0.5
108.02227	1.6
109.02966	27.5
113.04012	1.3
115.05560	1.0
121.02948	0.7
122.03753	0.6
123.00879	0.5
123.04543	4.8
133.02992	0.8
135.04544	2.1
137.02460	0.8
141.03479	0.6
145.02921	0.9
147.04520	1.6
149.02477	1.0
150.03241	5.5
151.04041	6.3
156.02243	0.8
157.02963	0.6
159.04538	1.0
160.01692	1.4
161.02469	1.4
165.07135	0.7
173.02460	1.9
175.04034	1.3
179.05135	0.6
181.06509	0.7
184.01669	1.2
185.02455	21.5
186.03220	5.2
191.05045	1.0
193.06610	5.2
195.04489	1.4
196.05301	0.6
197.06073	0.8
200.01251	0.6
201.01949	1.0
203.05009	0.9
204.05833	1.7
205.06552	0.7
207.04622	1.0
208.05344	0.7
209.06146	2.8
211.07680	0.7
213.02002	2.7
213.05588	1.1
214.02757	0.7
219.04584	3.3
220.05348	3.6
221.06102	10.1
222.06630	0.7
223.04005	2.9
223.07550	0.7
224.04506	1.0
225.05614	2.5
231.04695	0.5
232.05312	2.6
233.05946	1.0
235.04031	1.9
236.04758	1.7
237.05620	6.7
238.05989	0.7
239.07195	1.5
247.03957	4.5
248.04802	8.4
249.05598	20.4
250.02690	1.3
250.06154	1.6
251.03529	9.2
251.06192	0.7
251.07251	0.8
252.04276	3.0
253.01385	1.3
253.04964	1.1
260.04782	1.3
261.05606	0.7
263.03516	1.1
264.04297	3.2
265.05066	16.4
266.05685	2.9
267.06638	6.2
268.06744	0.5
269.04663	1.4
275.03500	3.8
276.04248	4.0
277.05087	19.5
278.02457	0.8
278.05582	2.1
279.03024	19.4
280.03729	6.0
281.04471	1.0
289.05411	0.6
291.03125	0.8
291.06601	0.7
292.03897	2.3
293.04590	28.9
294.05026	3.3
295.06137	17.0
296.06332	1.1
303.03024	4.0
304.03711	1.4
306.05325	0.5
307.06036	3.1
319.06073	4.5
320.03406	0.7
320.06674	0.9
321.04062	100.0
322.04431	7.3
339.05112	61.3
340.05524	4.3
351.05026	3.1
363.05185	1.9
429.09839	3.7
430.10281	0.9
473.08832	24.2
474.09274	2.4
478.06964	0.5
495.03464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.9
72.99316	1.9
80.91673	0.6
107.01420	1.0
108.02200	0.8
109.02966	29.4
110.03252	0.7
113.04018	1.5
115.05596	0.7
121.02977	1.6
122.03779	1.5
123.04563	6.8
133.02977	5.4
134.03725	0.7
135.04567	3.0
135.12921	0.7
141.03482	0.8
145.02988	1.4
147.00926	0.5
147.04536	1.7
149.02473	1.7
150.03258	5.3
151.04022	9.0
157.02943	1.7
158.03711	0.6
159.04572	1.1
160.01648	2.0
161.01126	0.8
161.02452	16.2
162.02742	0.9
165.07072	1.2
173.02464	2.2
174.03247	0.8
175.04102	1.1
175.05476	0.8
177.07141	0.7
179.03491	0.8
184.01695	3.8
185.02457	20.1
186.03178	5.0
193.06590	5.9
195.04550	2.9
197.06091	1.4
200.01254	0.8
201.01949	0.7
203.05028	1.3
204.05782	1.5
207.04520	0.9
208.05307	1.0
209.06154	3.1
213.01923	3.3
213.05557	1.0
214.02670	0.9
219.04541	4.6
220.05327	4.5
221.06075	13.9
222.06528	1.2
223.04062	3.3
223.07576	1.1
224.04819	1.2
225.05637	2.6
226.97519	0.7
231.04623	1.1
232.05284	5.1
233.06064	1.4
235.04002	2.3
236.04730	3.0
237.05571	7.9
239.07208	1.8
247.04033	6.9
248.04776	9.8
249.05582	23.5
250.02824	2.1
250.06067	1.4
251.03502	11.1
251.06172	0.8
251.07306	1.0
252.04318	3.6
253.01523	1.3
260.04846	1.3
263.03528	2.3
264.04251	3.9
265.05066	20.0
266.05701	2.6
267.06665	4.5
269.04623	1.2
275.03525	3.5
276.04291	6.0
277.05087	21.1
278.05585	2.6
279.03027	26.7
280.03690	6.2
281.04474	1.2
291.03149	1.3
292.03827	3.1
293.04581	31.7
293.10239	1.9
294.05051	3.6
295.06140	15.2
296.06616	1.0
303.03021	4.7
304.03818	2.0
307.06091	3.4
311.05835	0.7
319.02701	1.1
319.06149	3.9
321.04068	100.0
322.04437	8.9
339.05124	63.8
340.05429	5.0
351.05157	3.3
363.05206	1.7
429.09781	3.9
455.13080	0.7
473.08820	27.5
474.09137	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23674	0.5
58.31996	0.4
60.53300	0.4
64.35928	0.4
72.95808	0.5
81.03478	0.5
83.14395	0.5
91.91705	0.4
93.03526	0.5
98.22682	1.6
107.01382	0.7
107.13743	0.4
108.02201	1.6
109.02962	29.1
110.03273	1.1
112.11421	0.5
113.04005	1.3
113.28513	0.4
116.26500	0.5
121.03009	1.1
122.03721	0.5
123.04549	5.5
123.05404	0.7
130.50603	0.5
133.02972	0.8
135.04518	1.8
137.02460	0.8
141.03381	0.5
145.02950	0.8
147.04474	0.9
149.02481	1.3
150.03264	5.8
151.04031	5.3
157.02936	1.3
159.04535	1.6
160.01697	1.5
161.02446	1.5
165.07146	0.9
167.05017	0.6
173.02475	1.7
175.04013	1.4
175.05440	0.6
179.03540	0.5
181.06680	1.1
184.01680	2.0
185.02472	21.6
186.03204	5.1
187.03859	0.4
191.03479	0.6
191.05042	1.2
193.06624	5.6
195.04539	1.1
195.68716	0.6
197.06136	1.0
198.03178	0.9
199.17024	0.5
200.01266	1.0
200.61162	0.4
201.02008	1.3
203.05070	0.9
204.05829	1.8
205.06483	0.8
207.04478	1.2
208.05371	1.0
209.06068	2.9
211.03976	0.6
211.07629	0.9
213.01967	2.4
213.05588	1.0
214.02638	0.7
219.04549	3.1
220.05305	4.1
221.06082	10.7
222.03146	1.2
222.06445	0.7
223.04076	2.6
224.04912	1.3
225.01852	0.5
225.05511	3.1
231.04652	0.9
232.05374	2.6
233.06059	1.5
235.03990	1.8
236.04767	1.9
237.05568	5.6
238.06046	0.7
239.07239	1.6
242.16435	0.5
247.04012	5.1
248.04836	6.8
249.05577	19.0
250.02769	1.7
250.06078	2.0
251.03523	9.5
251.06133	0.8
251.07242	0.4
252.04099	3.2
253.01385	1.3
253.04984	1.4
259.04025	0.6
260.04794	1.2
261.05634	0.5
263.03479	1.4
264.04245	2.7
265.05081	17.9
266.05661	2.5
267.06677	6.1
268.07126	0.6
269.04617	1.3
275.03525	3.7
276.04337	5.1
277.05084	21.0
278.02444	0.9
278.05655	1.6
279.03024	21.5
279.06052	0.8
280.03720	7.1
281.04333	1.7
291.03006	0.9
292.03873	2.9
293.04596	32.4
294.05096	3.0
295.06143	17.6
296.06436	1.3
303.02957	4.1
304.03729	1.4
307.06213	2.7
319.02576	0.6
319.06058	4.4
320.06622	0.7
321.04065	100.0
322.04425	8.6
323.05573	0.9
339.05118	62.6
340.05460	5.3
351.05185	4.7
363.05121	1.7
429.09872	4.2
473.08823	22.6
474.09351	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	473.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08433	1.4
59.01384	41.6
61.98812	2.8
66.35928	1.3
71.01381	14.0
72.99363	1.5
78.95930	2.7
82.24275	1.3
83.01389	2.0
84.52630	1.3
85.01450	2.0
85.02959	1.4
89.02462	3.9
96.96976	6.4
98.99384	6.4
99.00885	2.9
101.00970	4.4
101.02467	1.8
102.98912	1.3
114.98889	4.0
117.00448	10.4
118.96647	9.2
119.03481	1.5
121.03025	1.6
125.00961	6.8
126.98920	7.3
127.02559	4.2
129.04076	1.7
132.98198	3.9
133.02933	2.2
135.04523	2.9
137.02484	1.6
141.00468	20.7
142.00525	1.6
144.99937	2.5
145.02931	3.4
146.03696	1.4
151.04005	1.8
153.00439	5.4
155.02025	6.8
156.98293	5.4
156.99924	5.1
157.03481	3.0
159.01537	7.9
160.97710	9.3
161.01236	3.3
161.02490	2.7
162.03181	3.1
163.04015	3.9
165.28819	1.4
167.02029	6.6
168.98387	1.6
168.99995	5.7
169.03563	6.4
170.91107	1.6
170.97871	1.4
170.99770	3.8
171.05115	1.8
171.98242	1.5
172.97668	3.2
174.99272	13.7
177.05611	3.4
179.03535	2.4
179.05603	3.2
180.98459	4.4
182.99991	2.1
183.01439	8.4
184.01619	1.7
184.97801	2.9
186.99416	2.6
187.00937	7.7
189.00804	4.9
189.05611	3.4
195.01619	2.7
195.06696	1.8
198.99484	8.9
201.02608	3.5
202.98732	1.7
206.99883	2.3
208.97917	6.2
209.01634	2.9
210.99321	3.1
216.98210	2.3
217.00313	45.2
218.00731	2.9
222.99506	24.2
223.99738	4.9
225.01033	4.6
226.98895	4.1
229.00320	2.1
232.00311	1.5
234.99405	1.5
237.01022	7.6
239.02615	2.6
241.00453	11.2
243.03624	6.6
246.99377	5.5
249.00888	3.3
249.97897	3.9
250.98891	12.4
251.02579	15.3
251.99376	2.9
252.02747	2.3
253.00578	2.9
253.04088	2.8
254.04707	1.8
259.01382	4.8
260.00003	3.4
262.01529	4.6
263.02502	2.4
265.00580	7.0
267.02148	6.0
269.00516	1.6
269.03674	11.8
271.06802	4.7
272.96100	1.8
277.04050	7.1
279.02042	5.6
281.03732	2.2
283.01624	10.7
283.04636	2.1
287.04749	2.5
291.99152	1.8
293.00314	2.9
293.03653	5.3
294.00656	2.2
295.01846	2.3
295.05136	5.4
305.03439	2.3
311.04605	3.0
314.99194	1.9
315.02441	1.5
319.00378	1.9
323.04721	11.3
328.96780	2.5
330.96896	1.8
331.02087	4.9
331.08813	3.2
335.04556	3.3
343.03775	6.2
351.02103	2.3
353.01810	3.5
353.05765	6.4
365.05521	3.5
371.06482	2.2
374.99222	15.8
383.06567	2.8
395.06555	4.0
411.03992	3.1
413.07971	48.5
414.07932	7.2
431.08954	100.0
432.09091	18.1
455.08627	23.8
456.08792	2.5
473.09744	11.2
474.10730	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50424	0.9
55.01640	1.0
55.01888	4.9
59.01387	76.8
60.01722	0.9
60.05476	1.0
64.15128	0.9
67.60217	1.0
71.01389	35.3
72.99318	4.6
83.01403	1.3
85.02941	7.6
86.84585	1.4
87.00883	1.3
89.02456	46.7
89.16131	1.1
95.01379	2.6
96.96008	1.4
101.02455	21.9
109.02951	11.3
113.02457	13.2
119.03516	19.7
123.04530	3.3
130.04730	1.1
131.03542	2.2
133.02989	1.7
135.04546	7.7
143.03522	1.3
149.02457	1.3
150.03198	1.8
151.04033	1.7
161.02472	3.6
161.04572	2.0
179.03506	3.2
179.05608	3.7
185.02409	5.0
190.17091	1.1
193.06659	1.9
195.11818	11.2
196.12148	1.2
197.04463	1.8
221.06122	2.9
223.11296	100.0
224.11600	5.2
237.05621	1.5
248.04723	1.9
249.05551	6.6
249.09242	3.2
251.03424	2.6
251.07086	1.5
261.75760	1.0
265.05145	4.8
265.09085	1.1
266.09305	1.1
267.06830	1.5
267.10260	28.4
268.10654	1.9
276.04315	1.2
277.05069	5.6
279.03070	5.9
280.03802	2.3
293.04614	9.6
293.07721	1.7
294.04916	1.2
295.06061	3.4
311.09293	22.8
321.04114	23.4
322.04303	1.6
339.05084	14.0
353.10379	1.2
473.08939	3.7
473.14703	4.0
473.24500	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03450	2.1
58.19695	1.0
59.01385	100.0
71.01388	52.2
71.01785	2.5
71.20947	1.4
72.99292	2.0
73.02954	31.6
75.00874	1.5
83.01392	10.3
85.02967	16.9
87.00891	7.4
89.02453	39.5
93.03494	3.6
95.01400	3.1
97.02959	1.6
99.00874	2.9
101.02453	37.9
111.36393	1.0
113.02459	23.5
117.03468	8.8
119.03549	12.9
119.05032	38.6
120.05418	1.4
125.02424	2.8
131.03517	14.4
137.02419	1.5
137.06073	7.7
143.03497	2.4
145.02960	37.8
149.04585	11.0
155.03555	1.8
161.02396	1.7
161.04594	6.8
161.05800	1.2
163.04024	14.4
171.83478	1.1
179.03444	1.9
179.05649	2.8
191.05637	13.5
203.05571	1.3
205.05083	2.2
223.10638	1.1
233.06630	5.3
265.07117	1.4
281.10336	25.7
282.10599	3.2
299.11392	15.3
311.09949	1.7
341.12457	22.5
342.12787	1.7
413.14612	3.5
431.15564	18.2
432.16129	1.5
461.74921	1.3
473.16971	29.8
474.17349	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
57.03438	0.6
59.01386	57.8
69.10442	1.6
69.10863	2.3
71.01392	9.2
72.99313	0.8
73.02961	2.9
83.01400	1.0
85.02967	4.7
87.00891	0.9
89.02460	7.1
95.01369	0.8
96.96017	1.0
99.00875	1.2
101.02449	6.2
103.03992	0.7
113.02470	5.2
117.03471	2.8
119.03520	2.7
119.05095	1.5
121.02979	0.7
125.02473	1.0
132.02194	17.2
133.02930	2.7
134.03764	36.6
135.04463	2.2
135.06657	3.5
143.03539	0.6
145.02939	0.7
147.04547	0.8
148.05334	1.1
149.06104	3.7
160.01683	87.6
161.02107	4.6
161.04611	1.8
175.04028	100.0
176.04390	4.4
177.05516	0.9
178.02757	1.6
179.03546	1.1
190.02718	1.0
191.07239	3.4
193.05081	49.9
194.05408	1.7
203.03561	0.7
205.05116	1.2
207.06657	1.0
235.06128	10.6
265.07220	1.4
269.17654	0.7
295.08173	2.5
337.09302	1.7
413.21710	1.5
413.27072	0.7
431.23059	1.6
437.10800	0.6
473.16681	90.1
474.17114	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	473.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32877	2.3
56.82596	2.1
59.01385	100.0
60.18393	3.0
69.33728	12.3
71.01383	18.1
72.99308	6.2
73.02962	13.1
83.01381	3.1
85.02940	6.6
89.02467	13.3
96.96046	3.6
97.46179	2.2
101.02435	13.6
102.06583	2.6
108.79886	2.4
112.98831	3.6
113.02448	8.2
114.96828	2.1
118.56834	2.3
119.03512	4.9
119.05023	6.4
132.02164	3.4
133.02982	2.9
134.03748	9.0
135.04514	10.3
140.58817	2.3
145.02951	4.1
147.04500	2.7
149.00899	6.1
160.01688	24.3
161.02499	3.8
161.04640	4.1
175.04039	21.9
179.03505	6.0
193.05078	16.4
205.02681	3.1
207.10384	2.9
235.05942	3.5
277.03613	5.2
277.71158	2.6
293.04669	3.6
387.16278	3.4
413.21628	6.5
429.17657	26.6
437.10995	2.8
455.21396	2.6
473.16562	21.8
473.22687	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	473.2419
Annotation	Val Asn Asp Lys
Peak:m/z	Relative Intensity
57.03458	0.4
59.01387	100.0
60.01726	0.8
68.12875	0.3
69.69115	1.2
71.01392	9.6
71.06862	0.3
73.02962	3.4
81.03459	0.3
83.01395	1.0
83.05045	0.6
85.02950	3.3
87.00927	0.7
89.02465	4.6
95.01408	1.0
96.96013	0.4
99.00879	0.5
99.04516	0.8
101.02457	5.1
112.98873	0.3
113.02468	5.6
117.03442	0.8
117.09731	0.4
119.02740	0.4
119.03526	1.6
119.05037	0.9
126.43966	0.3
131.03496	0.3
132.02188	5.1
133.02979	0.5
134.02725	0.6
134.03758	10.1
135.04453	0.7
135.06648	0.8
145.02946	0.5
147.04572	0.7
149.06107	1.2
151.04120	0.4
160.01680	24.9
161.02234	1.2
161.04550	2.3
175.04027	26.5
176.04456	1.4
179.03506	0.4
179.05687	0.9
190.02733	0.6
191.07156	1.0
193.05080	13.7
194.05472	0.7
203.03581	0.8
205.05089	1.1
223.06158	0.3
233.04610	0.4
235.06242	2.7
260.76425	0.4
269.17599	1.0
295.08395	0.7
309.05243	0.4
321.03986	0.6
337.09308	0.5
413.21667	1.3
431.22931	3.2
432.22934	0.5
473.16718	24.1
474.17194	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	473.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.72121	0.7
64.51756	0.9
66.43999	0.8
69.30373	4.1
71.01379	1.0
72.99310	5.3
73.02947	1.2
74.78392	0.8
84.93873	2.5
91.50986	0.8
95.05012	1.6
95.16908	0.8
96.96016	10.9
98.95596	13.2
98.96406	2.3
99.92601	12.2
100.92669	1.4
100.93356	4.0
101.02468	1.1
105.03476	5.3
115.92081	1.9
116.92910	1.5
121.02938	4.2
122.03735	1.1
123.04516	2.7
128.92839	2.3
132.02187	1.1
133.02977	23.5
134.03749	1.8
135.04518	2.3
146.90372	0.9
149.02463	3.9
150.03194	2.7
151.04056	2.1
156.92340	12.2
160.01639	4.8
161.02481	3.8
166.36748	0.8
175.04018	8.8
177.01935	5.3
177.13350	0.9
179.03377	1.1
191.59143	0.8
193.05090	1.1
204.96072	3.8
205.96777	5.5
206.97470	1.0
215.95186	5.0
216.95935	3.4
217.96809	1.7
218.97676	1.2
219.94534	1.0
221.96167	1.0
232.95500	1.0
233.96271	13.6
234.97009	8.0
260.95068	1.1
261.95761	1.4
273.17276	0.8
277.92377	1.0
277.95291	12.0
278.95993	7.3
292.97421	1.3
327.08911	2.2
352.00397	1.2
365.01096	1.2
367.02679	1.6
381.00601	1.5
385.11154	0.9
393.00674	3.5
411.01932	1.1
455.00735	8.8
456.00851	1.2
473.01675	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	473.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58464	0.8
135.04533	2.8
161.02455	2.8
183.50197	0.7
185.57024	0.9
195.75542	1.0
295.25186	1.0
405.72592	0.9
473.32767	100.0
474.33051	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	473.3279
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
54.10604	0.4
59.01375	0.8
60.33059	0.4
69.08005	3.6
75.28894	0.5
79.27436	0.4
89.37249	0.5
90.64096	0.5
92.94430	0.4
100.26437	0.4
126.85915	0.5
133.02971	1.0
135.04559	1.4
161.02472	4.1
162.52094	0.5
177.81306	0.4
328.98282	0.5
368.19418	0.5
368.28787	0.5
407.29575	1.0
473.32767	100.0
474.33133	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	473.3279
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
69.88931	5.0
76.64130	2.4
88.67219	2.2
89.76888	2.4
137.09747	3.6
161.02518	2.7
177.12920	3.2
184.03632	2.8
199.88203	2.5
207.13921	4.3
237.44212	2.4
331.22818	6.9
339.05185	4.1
373.27295	5.0
389.28458	2.6
391.77515	2.3
403.30032	5.0
404.30096	2.6
405.27899	2.8
407.29504	11.6
423.32889	4.2
425.30560	24.8
439.32397	28.9
441.33856	8.9
443.31595	7.1
455.31689	7.3
457.29642	6.1
473.13989	4.3
473.32782	100.0
474.33154	12.3
483.31146	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	473.3642
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
57.03431	0.7
57.22285	0.5
61.98828	1.2
62.85295	0.5
70.91342	0.8
71.05024	2.1
133.02985	0.6
161.02455	1.6
184.68648	0.5
189.17990	0.6
191.94930	0.5
409.34839	1.4
411.32657	0.7
413.34259	5.5
447.91266	0.7
473.36407	100.0
474.36829	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	474.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98828	0.8
70.64561	0.5
78.95910	8.4
89.46362	0.3
140.01212	2.7
152.99527	0.7
196.03822	1.3
214.04890	3.3
252.77852	0.3
259.20667	0.4
275.20084	0.4
277.21753	100.0
278.22079	5.9
289.85410	0.3
474.26257	6.9
474.32401	0.6
475.26788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
62.96409	0.5
69.84828	1.1
69.85220	0.9
71.01389	0.6
78.95914	31.9
82.29099	0.5
90.70078	0.5
98.22588	0.8
103.51345	0.5
117.53219	0.6
120.98522	0.6
122.00175	1.0
123.51346	0.5
140.01213	6.0
152.99629	3.1
161.02515	0.7
171.00656	0.7
190.43755	0.6
196.03816	14.0
196.05527	1.1
214.04857	4.0
214.32239	0.5
259.20758	0.9
277.21759	100.0
278.22101	6.8
474.26315	24.4
475.26822	2.2
481.27625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53288	0.2
59.01382	2.8
65.88316	0.3
69.53121	0.3
69.53473	0.9
71.01392	0.8
72.99324	0.7
73.02956	0.7
79.95753	2.0
84.34117	0.2
85.02958	0.4
86.49706	0.2
87.04475	0.3
89.02453	0.6
91.22273	0.2
96.96022	100.0
98.21912	0.3
98.95589	0.3
101.02451	0.3
109.02949	0.5
113.02435	0.5
116.92889	0.7
117.05608	0.7
119.03515	0.3
121.02960	0.3
123.04565	0.5
130.21524	0.2
133.03009	1.3
135.04564	2.4
136.04881	0.4
137.02414	0.6
145.02946	0.4
150.03221	0.3
151.03998	0.5
161.02458	5.8
161.04520	0.3
162.03035	0.3
177.05623	0.3
179.00319	0.5
179.03523	0.7
191.00256	0.7
197.04596	0.6
205.99046	0.3
217.96906	0.2
219.94646	0.6
233.01340	0.5
234.99316	0.4
252.45586	0.2
257.46289	0.3
277.00504	0.5
295.01343	0.6
295.06158	0.3
309.04541	0.7
313.07294	0.8
323.07941	0.3
335.02505	0.4
353.03391	0.5
355.01431	0.4
359.07834	0.5
397.02393	0.7
415.04025	0.4
415.23682	0.3
416.03824	0.2
450.57907	0.3
475.14374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01382	15.8
69.43946	4.0
71.01393	9.5
72.99315	45.2
73.02946	1.5
79.78291	0.8
83.01429	0.9
85.02957	10.7
89.02447	6.7
92.59420	0.9
95.01395	3.8
101.02449	3.1
109.02952	3.8
113.02457	20.7
115.05593	1.3
119.03522	2.7
121.02934	1.1
121.06570	0.9
123.04527	20.2
125.16828	0.8
130.04240	2.0
133.02945	2.2
133.06604	1.8
134.03749	4.5
135.04541	54.3
135.08115	1.0
136.04845	2.1
143.05029	11.2
145.02847	1.5
145.06613	2.0
146.03716	2.5
148.05293	1.3
149.06111	1.7
151.04001	2.3
161.02521	5.6
161.04584	4.2
161.06090	11.3
163.07669	35.0
164.07938	0.9
171.04532	39.4
172.05304	6.7
173.02449	1.0
174.03241	21.1
177.01889	1.3
179.03510	25.1
180.03838	1.1
183.66756	0.9
185.02573	1.1
187.03993	3.5
188.04819	9.9
189.05580	100.0
190.05893	5.3
197.04570	39.0
197.07309	1.1
198.04906	1.1
207.06638	16.3
208.46529	0.8
215.03493	2.8
233.04561	85.3
234.04956	4.8
251.05589	26.5
264.90985	0.8
267.06451	1.5
293.04626	1.0
295.04327	4.5
313.07239	1.3
321.04013	1.0
323.04532	1.7
323.07913	1.7
329.12448	2.4
341.05588	1.0
424.68896	1.0
431.09821	20.9
432.10330	2.2
475.08975	12.5
475.18048	9.0
476.09363	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1252
Annotation	7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside
Peak:m/z	Relative Intensity
53.65657	0.3
59.01385	10.6
70.53215	0.5
71.01385	1.1
72.99297	0.5
73.02938	0.5
82.01548	0.2
83.01415	0.2
89.02448	0.5
96.96017	0.4
99.92569	0.4
100.93423	0.3
101.02477	0.8
105.03481	0.6
109.03000	1.2
112.98754	0.2
113.02473	0.6
115.92139	0.4
116.92872	1.5
117.03458	1.8
119.05042	0.3
123.04546	2.7
132.02219	2.2
133.02972	18.9
134.03467	0.6
135.04526	2.7
137.02496	0.7
145.02951	0.6
149.02423	0.4
150.03258	1.1
151.04010	4.2
159.04512	0.7
160.01669	3.2
161.02461	100.0
162.02814	3.7
163.02895	0.4
163.04102	0.6
177.01910	0.4
179.03510	1.1
203.03589	0.4
245.46715	0.3
251.03809	0.3
269.08255	2.1
269.12982	0.6
270.08618	0.3
295.10901	0.6
296.40158	0.3
297.03992	0.4
313.07208	28.9
314.07623	2.0
323.07785	8.4
324.07901	0.5
377.78287	0.3
405.34464	0.3
425.96143	0.3
475.11728	0.6
475.17615	0.6
475.24564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.125
Annotation	Onoside
Peak:m/z	Relative Intensity
51.05774	0.2
59.01385	24.1
59.15583	0.2
61.74276	0.2
71.01395	0.4
71.40897	0.2
73.02967	0.3
83.01400	0.2
84.09843	0.2
95.05058	0.3
98.95616	0.3
101.02447	0.4
105.03472	0.5
109.02950	0.8
116.92802	0.2
117.46902	0.2
122.93886	0.2
123.04543	3.3
129.35201	0.2
132.02179	1.0
133.02977	21.7
134.03339	0.5
135.04543	1.3
150.03270	0.7
151.04033	6.0
159.04480	0.5
161.02463	100.0
162.02809	3.4
163.04118	0.3
175.04048	0.3
179.03494	0.5
203.03520	0.3
239.64037	0.2
251.03503	0.3
253.05063	0.3
269.08231	1.9
279.00241	0.2
279.03098	0.6
286.50452	0.2
297.04031	0.5
313.07147	19.9
314.07535	1.4
415.23245	0.5
474.19449	0.2
475.12473	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01388	12.3
61.98824	0.6
65.03970	0.5
69.08319	0.9
69.08738	1.0
71.01392	1.7
72.99311	0.3
73.02948	0.7
83.01414	0.2
85.02965	0.7
87.00893	0.5
89.02502	0.3
93.03469	56.5
94.03811	1.1
101.02449	1.3
107.45913	0.3
113.02458	0.7
116.92880	0.6
125.02436	0.4
132.02220	1.0
133.02977	0.7
134.03755	2.7
135.04558	1.5
137.02463	100.0
138.02792	2.5
160.01680	5.1
161.02489	2.0
175.04022	6.0
179.03508	0.7
193.05087	1.8
195.00357	0.3
195.92805	0.2
253.18207	0.4
267.29196	0.3
271.19293	1.5
337.09393	2.9
415.23489	1.0
433.24634	1.8
433.77451	0.3
475.25549	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16687	0.5
59.01386	12.1
67.60540	0.4
71.01394	2.9
72.99301	0.5
81.03491	0.5
83.01405	0.5
83.01859	0.4
84.20657	0.4
85.02959	1.0
89.02453	0.7
91.01915	0.8
93.03481	3.4
98.21899	1.0
101.02470	2.3
107.01409	1.7
108.02211	2.3
109.02960	7.6
112.98826	0.5
113.02469	1.4
116.92917	0.6
117.03482	1.0
118.04269	1.4
119.05042	100.0
120.05375	2.7
121.02991	0.9
123.04531	3.0
133.02957	1.5
134.03770	7.6
135.04604	2.2
137.02460	3.7
145.02966	2.7
147.04584	0.7
149.06107	1.8
151.00420	1.7
152.01155	3.4
153.01955	12.8
161.02457	4.2
162.03030	0.5
163.04030	45.8
164.04344	2.3
167.03529	9.6
175.04161	0.4
177.05585	7.5
178.02762	4.1
179.03505	0.9
193.05069	5.0
195.03076	0.8
209.04578	0.6
281.04254	0.5
281.06760	3.9
296.05429	1.2
297.06195	17.7
298.06580	0.8
307.73114	0.4
311.07755	20.7
312.08176	1.2
427.11346	0.5
443.09930	1.0
475.12524	21.7
476.12570	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	475.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01916	0.6
59.01387	42.5
61.98828	0.6
69.50916	2.3
70.68837	0.4
71.01390	6.0
72.99327	1.4
73.02960	1.5
81.03475	1.0
83.01395	1.1
85.02964	1.4
87.00913	0.5
89.02468	1.4
92.02688	0.6
93.03466	5.1
95.01372	0.6
96.99340	0.5
101.02438	3.9
107.01401	1.9
108.02207	1.9
109.02972	8.3
113.02454	2.8
116.92876	1.8
117.03449	1.2
118.04272	1.4
119.05042	100.0
120.05401	3.0
121.03026	1.2
123.00891	0.8
123.04523	2.8
125.02524	0.7
133.02962	4.4
134.03766	23.0
135.04562	4.8
135.34366	0.5
136.01703	0.8
136.04906	0.5
137.02469	10.7
145.02962	2.8
147.04555	1.0
149.06107	6.8
151.00394	1.8
151.04047	0.5
152.01205	2.8
153.01956	14.1
161.02475	10.3
161.04514	0.6
162.03018	0.9
163.04030	50.5
164.04337	1.2
167.03513	11.0
175.03970	0.5
177.02052	0.5
177.05569	7.2
178.02739	10.8
179.03474	3.4
191.03418	0.6
193.05080	18.1
194.05492	0.6
195.02991	0.6
197.04567	0.6
237.09244	1.0
239.10815	1.8
251.10687	0.7
281.03885	1.0
281.06683	13.5
282.06927	0.7
293.08041	0.7
295.06036	0.5
296.05396	1.1
297.06177	17.2
298.06326	0.8
311.07684	23.9
313.07272	0.8
313.10764	4.8
357.09634	0.7
387.16620	0.9
394.12555	1.2
415.23279	1.8
431.13440	1.1
443.09714	1.3
475.12360	31.5
476.12756	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16687	0.5
59.01386	12.1
67.60540	0.4
71.01394	2.9
72.99301	0.5
81.03491	0.5
83.01405	0.5
83.01859	0.4
84.20657	0.4
85.02959	1.0
89.02453	0.7
91.01915	0.8
93.03481	3.4
98.21899	1.0
101.02470	2.3
107.01409	1.7
108.02211	2.3
109.02960	7.6
112.98826	0.5
113.02469	1.4
116.92917	0.6
117.03482	1.0
118.04269	1.4
119.05042	100.0
120.05375	2.7
121.02991	0.9
123.04531	3.0
133.02957	1.5
134.03770	7.6
135.04604	2.2
137.02460	3.7
145.02966	2.7
147.04584	0.7
149.06107	1.8
151.00420	1.7
152.01155	3.4
153.01955	12.8
161.02457	4.2
162.03030	0.5
163.04030	45.8
164.04344	2.3
167.03529	9.6
175.04161	0.4
177.05585	7.5
178.02762	4.1
179.03505	0.9
193.05069	5.0
195.03076	0.8
209.04578	0.6
281.04254	0.5
281.06760	3.9
296.05429	1.2
297.06195	17.7
298.06580	0.8
307.73114	0.4
311.07755	20.7
312.08176	1.2
427.11346	0.5
443.09930	1.0
475.12524	21.7
476.12570	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	475.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01388	12.3
61.98824	0.6
65.03970	0.5
69.08319	0.9
69.08738	1.0
71.01392	1.7
72.99311	0.3
73.02948	0.7
83.01414	0.2
85.02965	0.7
87.00893	0.5
89.02502	0.3
93.03469	56.5
94.03811	1.1
101.02449	1.3
107.45913	0.3
113.02458	0.7
116.92880	0.6
125.02436	0.4
132.02220	1.0
133.02977	0.7
134.03755	2.7
135.04558	1.5
137.02463	100.0
138.02792	2.5
160.01680	5.1
161.02489	2.0
175.04022	6.0
179.03508	0.7
193.05087	1.8
195.00357	0.3
195.92805	0.2
253.18207	0.4
267.29196	0.3
271.19293	1.5
337.09393	2.9
415.23489	1.0
433.24634	1.8
433.77451	0.3
475.25549	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27129	0.3
54.71614	0.3
57.27781	0.4
59.01389	7.4
62.49491	0.4
69.56420	1.0
69.56812	0.7
71.01388	3.6
80.18446	0.3
84.86484	0.3
85.02967	1.0
89.02454	4.7
101.02460	2.8
105.03484	0.7
112.37367	0.4
113.02483	1.3
117.03493	0.5
119.03526	1.1
123.04522	0.4
132.02205	1.0
133.02975	25.5
134.03380	0.4
135.04546	14.4
136.04834	0.4
149.06096	0.5
151.06174	1.9
161.02466	100.0
162.02823	3.6
177.05566	1.1
179.03511	12.9
180.03798	0.5
221.04558	1.9
231.02850	0.4
251.05612	1.0
268.65692	0.5
281.06723	2.5
323.07703	0.4
341.08655	1.0
475.14603	78.1
476.15051	6.0
499.94550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57393	1.5
55.49976	1.5
56.12123	1.4
59.01385	14.5
59.14501	1.7
71.01383	1.7
71.04252	1.7
72.99321	11.2
73.02945	4.8
84.99337	8.0
87.00889	9.3
89.03972	4.1
111.00902	1.9
111.04562	2.0
112.98825	100.0
117.03485	6.9
130.99852	1.9
132.02174	2.6
133.02960	2.0
134.03761	94.8
135.04474	5.8
137.02399	2.0
146.03876	1.8
149.06079	16.5
151.04060	3.5
160.01689	8.8
161.02495	7.6
162.03233	8.7
167.10793	13.6
175.04039	13.4
176.04715	2.2
177.05597	3.4
178.02786	8.8
181.12323	4.2
190.02695	6.0
191.07118	7.2
193.05075	76.9
194.05350	3.6
200.60889	1.7
202.02751	4.8
205.05026	6.9
207.06631	3.3
209.11818	15.6
218.02242	2.4
230.02182	2.6
233.04559	40.0
234.04778	2.4
235.06126	2.8
245.04622	4.1
263.05695	2.1
289.03558	3.5
307.04630	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26410	0.7
52.20597	0.8
59.01384	40.5
70.64347	1.1
71.01386	2.7
72.99325	2.6
73.90511	0.7
85.02966	1.2
88.83588	0.8
89.02453	1.2
94.94387	0.8
96.96021	47.4
99.92598	2.7
109.02982	2.4
113.02447	1.7
116.92872	2.2
121.02920	0.9
133.02963	2.1
135.04521	6.7
137.02460	1.2
146.02588	1.9
146.03755	35.3
147.04213	1.2
149.02475	1.0
161.02481	4.0
161.04724	1.6
161.06082	11.4
163.04008	1.8
164.04805	21.0
179.07152	100.0
180.07507	3.8
181.05084	1.1
191.00352	1.6
197.04654	1.5
204.96034	1.4
217.96815	1.8
218.97447	1.2
219.94719	2.0
220.95486	3.2
233.96294	1.0
234.96890	1.5
244.84195	0.8
309.04459	2.3
335.02170	1.3
341.03290	0.9
350.99802	1.0
353.03430	3.3
397.02368	3.3
415.03278	1.2
415.15707	1.3
438.99460	1.2
475.14850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94687	1.1
57.03458	3.3
58.00589	1.5
59.01386	61.3
63.21510	1.1
64.56982	1.0
69.28615	4.5
71.01389	44.9
72.99297	1.3
73.01849	1.0
73.02956	4.4
83.01392	3.2
85.02959	39.5
87.00890	2.6
89.02452	26.3
95.01399	12.6
101.02459	15.5
103.03986	2.1
109.02946	1.3
113.02464	100.0
114.02822	2.7
119.03519	6.8
119.05070	2.3
125.02494	1.3
125.50129	1.1
131.03535	1.9
134.03734	7.1
135.04550	1.8
137.06100	2.7
143.03525	5.0
149.06119	5.0
152.04770	1.5
161.04590	18.3
163.06136	1.8
179.05675	1.5
181.05096	4.9
197.04675	1.2
282.10712	1.8
311.11249	2.3
329.12506	8.9
329.16208	2.2
433.16327	1.8
475.18320	46.2
476.18619	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	475.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	98.7
58.03793	1.0
59.01387	100.0
60.01747	0.7
61.98852	0.7
71.01392	4.2
71.43361	0.8
72.99332	1.0
73.02954	1.7
81.03459	3.8
83.01403	1.1
85.02966	1.7
97.06541	0.8
99.04533	86.8
100.04859	1.5
101.02464	14.0
103.02800	0.6
103.67431	0.6
113.02456	1.2
116.92828	0.7
125.02463	29.6
133.02980	3.0
135.04529	2.9
161.02475	11.0
162.02771	2.4
163.02997	1.2
170.27008	0.7
179.03447	1.3
194.86064	0.7
226.13771	0.6
243.06624	0.9
289.16486	0.9
301.18240	0.6
415.26843	0.9
433.28070	1.6
475.23184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89145	0.1
59.01391	1.7
71.01405	0.2
73.02946	0.1
101.02431	0.2
118.54102	0.1
135.04503	0.2
157.06566	0.2
161.02382	0.2
182.07399	0.2
184.62924	0.1
185.09776	0.3
190.55357	0.1
195.08377	0.1
196.08698	0.1
197.09784	0.5
202.10072	0.1
215.14476	0.7
215.18019	0.2
219.64819	0.1
223.14902	0.3
223.93040	0.1
225.16510	0.6
227.14406	0.7
229.16008	1.5
237.12856	0.2
238.13640	0.4
241.12445	0.7
241.16011	3.5
242.16310	0.3
243.17560	13.0
244.17894	0.9
251.14395	0.3
253.16008	6.6
254.16396	0.4
255.14021	0.2
255.17691	0.1
256.14740	0.4
257.18988	0.1
269.15479	0.7
270.16110	0.3
271.17059	100.0
272.17395	7.8
306.54047	0.1
313.18332	0.7
395.17670	0.1
415.21088	0.6
475.16803	0.2
475.23425	2.3
476.23764	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65500	0.4
59.01389	5.9
59.62195	0.4
61.98835	0.5
69.13685	1.1
69.14092	1.5
71.01380	1.7
73.02953	3.6
78.01144	0.4
83.01379	0.9
98.22634	1.0
101.02425	2.3
161.02466	0.6
161.04527	0.5
215.14426	1.2
215.18141	0.7
225.16420	0.9
227.14418	1.1
229.15997	1.9
241.12468	0.6
241.16020	3.8
243.17548	14.2
244.17863	0.6
253.16011	6.4
254.16054	0.5
255.13951	0.8
256.15045	0.4
257.19092	1.1
269.15387	1.0
271.17053	100.0
272.17389	7.2
285.18582	0.5
313.17966	0.6
415.21243	0.9
437.22495	0.5
475.17181	0.5
475.23367	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2471
Annotation	Bazouanthrone
Peak:m/z	Relative Intensity
53.58484	0.6
59.01359	1.0
63.75264	0.6
69.63937	2.4
78.95918	9.0
115.01702	0.8
120.96990	3.9
128.41388	0.7
138.98024	2.1
152.99603	3.5
167.90703	0.7
181.63864	0.8
195.00719	5.0
213.01741	1.7
251.17744	0.7
279.23334	100.0
280.23676	6.7
385.12476	2.1
475.14725	1.6
475.24664	16.4
476.25089	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
57.03442	2.0
59.01388	49.5
62.03558	0.5
71.01395	16.5
71.05025	1.1
72.98299	0.4
72.99299	1.4
73.02956	8.0
82.74666	0.4
82.75173	0.4
83.01399	4.6
85.02448	0.9
85.02955	9.6
86.00105	1.8
87.00879	2.0
87.14552	0.5
89.02455	2.8
95.01399	2.0
95.14873	0.4
97.02164	0.4
97.02982	0.9
99.00904	2.9
101.02459	17.9
111.00896	0.7
113.02460	7.1
119.03524	1.0
123.04544	0.8
125.02476	1.2
132.02219	0.7
133.03004	3.1
135.03618	0.4
135.04543	2.3
136.04025	0.8
137.02446	0.6
141.01968	0.5
142.16951	0.4
143.03511	0.4
159.03139	0.6
161.02469	8.0
161.04587	1.5
162.02820	2.4
164.03613	0.6
179.03520	1.9
192.03078	0.8
204.85330	0.4
227.06740	0.9
252.05176	0.7
253.05412	0.8
253.18054	1.2
271.19232	3.0
280.04697	0.6
281.04773	0.7
295.06268	0.7
313.07373	1.4
397.22220	1.5
415.23380	17.8
416.23901	1.0
433.24435	15.5
434.24750	1.3
457.24603	3.6
475.25540	100.0
476.25928	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	475.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01730	0.8
65.39308	0.4
66.62602	0.4
71.01381	3.7
73.02962	4.3
75.00890	0.4
83.01414	1.1
83.30660	0.4
84.24512	0.4
85.02987	1.4
89.02451	2.2
95.01402	0.5
101.02450	4.7
113.02473	2.8
116.92889	1.6
119.03564	1.3
119.05064	0.8
133.02994	1.1
134.03755	0.6
135.04599	1.3
143.03578	0.6
144.03476	0.4
149.04630	0.4
161.02478	2.4
161.04626	1.1
163.04041	0.7
179.03619	0.5
313.07309	0.7
343.29138	0.4
375.53827	0.4
415.23587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.5
59.01385	100.0
61.70041	0.5
71.01395	6.9
72.99313	0.6
73.02969	2.7
75.46069	0.6
83.01417	1.5
84.11008	0.5
85.02957	4.4
89.02490	0.6
95.01430	1.0
97.02962	0.6
99.00930	1.3
101.02472	5.3
109.02988	1.0
113.02457	4.3
121.03000	0.8
125.02507	1.0
135.04552	2.0
143.03539	1.0
151.04083	0.6
160.14784	0.5
161.02513	0.9
161.04645	1.5
179.03548	1.2
185.02428	0.6
258.03769	0.5
271.22910	1.9
280.77298	0.5
295.06027	0.5
313.14719	0.7
330.20905	0.6
351.35648	0.5
385.12418	1.0
415.27051	9.8
416.27524	1.4
433.28088	11.6
434.28915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69048	0.3
59.01368	0.3
66.46240	0.2
78.95911	5.0
83.53154	0.2
96.77816	0.2
101.69254	0.3
116.92879	1.3
140.01195	1.7
152.99628	0.3
196.03825	1.4
214.04900	2.9
215.36504	0.3
265.72855	0.2
279.23315	100.0
280.23615	6.7
280.26544	0.4
476.27887	7.6
477.28085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10159	0.3
76.79580	0.4
78.95914	23.6
97.00230	0.4
98.36757	0.4
105.51976	0.4
112.05676	0.4
116.92884	1.6
119.11666	0.4
122.00151	0.7
134.98483	0.5
140.00195	0.7
140.01198	5.9
145.30667	0.4
152.99614	2.8
164.35146	0.4
166.02856	0.4
171.00627	0.6
196.03816	10.7
214.04855	2.4
261.22250	0.5
266.55347	0.4
279.23315	100.0
280.23636	6.6
476.27847	25.1
476.33826	0.5
477.28442	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	477.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58027	4.3
59.01384	39.8
71.01383	14.8
72.99310	4.8
73.02964	8.0
79.95823	4.2
81.03476	4.9
88.62392	4.8
93.03521	4.7
96.96037	11.9
98.95628	11.5
99.92591	31.9
101.02463	13.1
101.88427	4.5
109.03020	5.6
115.92066	8.8
116.92847	14.1
121.02972	21.2
133.02972	27.2
135.04543	26.9
137.02419	11.2
146.03752	8.0
149.02415	5.8
153.05580	18.0
161.02435	5.7
162.06706	4.2
164.04828	8.1
164.82996	4.7
166.06387	5.5
179.03395	5.3
179.07092	22.6
180.07529	14.5
197.04579	53.7
204.96002	11.7
210.62991	5.9
215.95157	6.8
216.96046	5.1
217.96768	35.1
218.97516	19.4
219.94711	28.3
219.98289	7.8
221.96391	6.9
233.96245	8.6
234.97058	5.7
239.05690	4.8
244.95380	6.3
261.95721	5.6
295.05981	8.5
307.00699	7.5
335.00259	8.4
354.99075	5.7
397.00314	10.8
440.99185	100.0
441.99396	12.7
477.15726	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58027	4.3
59.01384	39.8
71.01383	14.8
72.99310	4.8
73.02964	8.0
79.95823	4.2
81.03476	4.9
88.62392	4.8
93.03521	4.7
96.96037	11.9
98.95628	11.5
99.92591	31.9
101.02463	13.1
101.88427	4.5
109.03020	5.6
115.92066	8.8
116.92847	14.1
121.02972	21.2
133.02972	27.2
135.04543	26.9
137.02419	11.2
146.03752	8.0
149.02415	5.8
153.05580	18.0
161.02435	5.7
162.06706	4.2
164.04828	8.1
164.82996	4.7
166.06387	5.5
179.03395	5.3
179.07092	22.6
180.07529	14.5
197.04579	53.7
204.96002	11.7
210.62991	5.9
215.95157	6.8
216.96046	5.1
217.96768	35.1
218.97516	19.4
219.94711	28.3
219.98289	7.8
221.96391	6.9
233.96245	8.6
234.97058	5.7
239.05690	4.8
244.95380	6.3
261.95721	5.6
295.05981	8.5
307.00699	7.5
335.00259	8.4
354.99075	5.7
397.00314	10.8
440.99185	100.0
441.99396	12.7
477.15726	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16238	4.4
59.01390	72.2
60.99300	20.4
61.95683	4.8
64.10198	5.3
66.13538	4.6
69.11456	32.1
71.01381	13.8
72.99308	23.8
76.42467	5.0
85.22350	4.9
88.98816	97.7
98.21909	11.4
101.02444	11.9
106.66874	5.9
109.02951	16.0
112.98805	8.6
113.02519	5.9
116.92876	34.5
117.03484	9.5
118.98090	6.9
119.04997	9.1
133.02937	17.3
134.03757	7.3
135.04552	100.0
136.04822	5.7
137.02460	16.7
145.02951	54.1
161.02438	45.0
161.04520	9.0
162.02771	8.7
179.03491	59.7
179.90018	5.2
197.04498	8.2
207.03032	16.0
222.92471	9.9
224.94133	25.3
225.04050	20.4
226.92068	11.5
253.05078	12.9
268.93256	34.6
297.03976	14.6
314.93781	20.0
315.08563	6.7
477.21533	33.8
478.20795	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	477.1044
Annotation	Annulatin 7-rhamnoside
Peak:m/z	Relative Intensity
54.58606	0.8
57.03455	6.6
59.01393	8.2
69.03462	2.9
69.06813	5.1
71.01415	0.9
72.97534	1.8
72.99319	15.4
78.41149	0.8
79.01930	1.1
80.54379	0.8
81.03464	1.0
83.01398	1.8
94.04602	0.7
95.01382	1.8
97.02964	3.1
99.04562	4.2
99.92609	5.2
101.02442	1.5
105.92886	0.9
107.01406	2.4
113.02459	1.2
116.92876	51.1
117.03494	4.6
117.92892	2.2
119.05045	6.7
121.02951	2.2
123.00903	10.3
123.04552	1.2
124.01680	23.6
125.02464	47.3
126.02817	1.0
129.85257	0.8
133.02991	7.1
134.86806	0.8
135.04527	6.4
137.02460	2.7
139.02235	2.5
145.02969	22.4
149.02463	1.1
149.99603	40.0
151.00348	3.2
151.02237	1.4
151.04091	1.2
155.01758	8.1
158.03764	1.0
161.02464	20.1
163.04016	5.6
165.00197	3.2
166.00952	2.4
167.01743	6.0
167.03033	0.7
168.00665	70.4
169.01407	6.6
179.01718	2.8
179.03537	2.6
180.65221	0.9
183.01262	1.7
191.01743	4.0
197.04462	1.5
209.02731	5.1
211.00711	4.4
229.01773	17.4
230.02211	1.0
235.00676	3.1
253.01767	15.9
261.56552	0.8
276.06934	0.9
297.00775	2.3
307.08279	1.9
313.05719	5.3
315.01846	7.3
331.06744	26.9
332.07211	1.2
359.07758	1.6
391.04761	4.4
459.09454	1.9
477.10446	100.0
478.10904	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	477.1045
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
59.01396	1.7
69.29405	4.0
71.01385	2.5
72.99328	0.8
73.02956	0.9
85.02970	1.1
101.02480	1.1
108.02190	39.2
109.02969	22.8
121.02979	1.1
133.02979	20.7
135.00836	1.0
135.04553	10.9
151.04018	1.4
152.01173	59.6
153.01965	20.7
161.02461	55.2
162.02843	1.9
163.04021	1.1
165.01947	1.3
169.01442	1.1
177.05591	0.8
179.03528	5.9
183.61783	0.7
198.03117	0.9
198.45392	0.7
283.94141	0.8
295.06085	1.4
315.07239	43.3
316.07498	1.9
323.07715	2.3
332.93268	0.9
433.11459	5.7
477.10434	100.0
478.10696	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	477.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23504	0.2
59.01384	4.1
68.24106	0.2
69.48561	0.4
69.48966	0.8
71.01379	0.4
71.67935	0.2
72.99314	0.4
83.93092	0.2
84.93869	1.0
85.02961	0.2
96.95998	0.4
99.00885	0.8
99.92595	8.3
100.92677	0.6
100.93369	10.4
101.93394	0.5
103.00385	0.3
114.94904	0.4
115.92093	14.8
116.92873	100.0
117.92880	3.4
117.93645	0.4
135.04544	0.5
140.92857	0.4
141.93661	0.2
142.94470	1.1
149.65756	0.2
156.92375	0.6
158.93954	0.7
161.02525	0.6
173.92656	0.3
184.91820	1.3
186.93481	0.3
196.95569	0.3
204.54291	0.2
279.06540	0.4
310.57523	0.2
355.08603	0.7
373.09589	3.4
374.10126	0.4
391.10782	3.6
392.10809	0.4
403.10519	0.6
415.10794	1.5
433.11774	4.1
434.11771	0.5
441.08658	1.3
459.09354	0.3
477.10770	12.2
477.26050	0.5
478.10889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32827	1.0
57.61980	0.8
61.98833	1.2
69.10469	2.0
69.10872	4.5
74.86695	0.9
96.96021	7.7
97.20446	1.3
98.22691	1.9
110.79877	0.9
112.57619	0.9
116.92849	3.3
123.04539	2.3
132.02191	1.3
133.02966	25.7
134.03453	1.0
135.04616	0.9
148.01715	1.1
149.02441	2.7
150.03230	3.8
151.04030	4.4
161.02461	100.0
162.02802	2.5
165.96092	1.0
269.08151	1.6
296.70184	0.9
313.07190	20.1
314.07538	1.6
351.63879	1.1
477.11978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95547	1.0
59.01385	16.5
68.99843	1.1
69.50646	4.1
71.01386	4.1
72.99025	1.0
72.99329	10.1
83.05036	2.3
84.99309	6.6
85.02959	1.7
87.00890	5.1
89.02438	1.2
99.92617	3.1
108.02143	1.3
109.02955	17.1
110.59865	1.4
112.98824	100.0
113.02451	1.2
113.99213	1.1
116.92879	27.7
117.03498	2.5
119.05045	22.6
121.02962	1.8
123.04539	2.5
125.02528	1.2
133.02965	3.3
133.06673	1.0
134.03690	1.4
135.04547	14.3
137.02466	1.3
137.09746	4.8
145.02980	11.3
147.04520	8.2
155.10777	9.7
155.34447	1.0
159.04538	3.0
161.02467	7.6
161.06116	2.8
163.04054	7.9
171.04454	1.0
173.02448	1.1
175.04041	6.6
179.03503	4.9
181.05031	2.1
185.02467	6.5
186.03175	1.3
189.05516	1.3
197.04573	4.1
199.09790	25.9
200.10233	1.0
203.03537	24.7
205.05096	1.1
215.03535	4.1
233.04567	2.4
253.05255	1.3
259.02371	1.7
277.03543	34.6
278.03781	1.4
279.02924	1.8
295.06180	12.4
313.07025	1.2
321.03922	2.8
331.10458	1.7
370.38928	1.0
417.24945	2.4
428.36420	1.3
477.27145	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27591	1.3
56.14992	1.4
57.03456	100.0
57.19164	1.5
59.01387	65.4
59.74336	1.7
69.10166	10.1
71.01368	2.5
72.36488	1.4
73.02959	3.0
81.03468	2.3
85.33827	1.7
89.02464	1.6
98.22662	2.3
99.04528	66.9
99.92605	6.2
101.02474	16.4
113.02480	2.2
116.92879	59.6
117.92952	1.6
118.55135	1.5
123.04542	18.3
125.02464	22.2
126.79804	1.4
131.76015	1.6
133.02960	13.3
135.04527	9.9
141.56993	1.6
153.05589	15.6
161.02457	46.7
161.04485	3.2
179.03519	6.4
246.18030	1.5
323.07751	14.8
424.42853	1.9
477.14301	12.1
478.14722	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	477.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18265	2.3
57.01873	2.2
59.01379	9.5
59.76094	2.0
60.99311	14.6
69.04246	2.3
69.45844	8.6
72.99308	3.5
73.28985	2.4
75.00875	4.0
88.98817	100.0
89.02440	3.2
101.02393	2.8
108.28300	2.4
109.02972	8.4
113.12418	2.1
119.05032	2.9
120.04483	2.0
135.04527	6.7
143.75450	2.1
144.83141	2.4
161.02402	3.1
173.02209	2.1
179.03517	3.4
185.02463	3.2
197.04604	7.2
295.06207	7.3
387.16687	9.7
441.08304	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	477.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.0
57.03443	4.7
59.01384	59.4
60.25150	1.0
61.98819	2.1
65.17991	0.9
66.85060	0.9
68.99825	1.6
69.03442	1.3
69.20456	2.0
69.20852	5.2
71.01386	51.8
72.01742	1.0
72.99311	3.3
73.02567	2.1
73.02953	29.2
75.00900	1.4
81.03464	2.5
83.01392	22.1
85.02956	32.1
85.89955	0.9
86.00124	1.2
87.00871	4.9
89.00358	2.3
89.02448	12.8
93.03434	1.0
93.41882	0.9
95.01392	4.4
96.96041	2.2
97.02953	3.1
98.21876	2.0
98.95600	1.3
99.00884	8.0
99.92591	3.0
100.93369	1.5
101.02448	57.1
101.29057	1.2
103.04008	3.9
106.00590	1.7
109.02982	2.6
111.00889	2.7
113.02467	21.8
115.92088	1.4
116.92885	1.0
118.58518	1.0
119.03503	3.1
121.02966	39.1
123.00886	6.4
125.02428	4.7
127.00358	1.7
129.02042	1.0
133.03027	1.7
135.04530	3.3
135.06636	3.6
137.02448	10.2
138.03212	7.8
139.00371	2.2
139.04039	2.2
143.03522	2.7
145.05028	1.8
149.04512	1.0
151.04082	1.1
153.05591	34.6
155.03477	1.3
159.02980	4.1
161.02515	1.6
161.04573	24.1
163.06081	2.1
166.02605	1.2
166.06363	7.2
167.03441	1.8
179.03528	1.5
181.01454	5.5
181.02827	1.0
181.04941	1.2
181.08713	10.9
182.02226	9.7
183.02980	3.8
196.03725	2.1
197.04564	100.0
198.04901	3.2
211.06203	4.8
217.96756	2.3
218.97508	1.4
219.94724	4.5
224.03322	3.5
225.04106	1.9
229.07242	1.8
233.96051	1.5
235.08281	1.6
239.05620	26.4
269.06708	2.3
279.06665	1.3
281.06802	1.4
285.06281	1.3
295.06152	1.9
299.07733	6.7
307.09976	1.1
331.17630	83.6
332.18002	4.9
333.99518	1.1
336.00818	1.1
341.08786	5.2
440.99054	9.5
477.16113	91.6
477.23419	61.5
478.16428	8.2
478.23807	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	477.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45481	1.1
59.01382	14.4
65.00336	1.3
70.91066	1.9
71.01389	12.1
72.03780	1.1
73.02927	2.6
74.72449	1.0
75.27835	0.9
78.40300	0.9
81.03475	1.0
85.02954	3.6
89.02458	4.4
89.17208	1.1
90.34975	1.0
91.01901	7.1
95.01402	1.4
99.92599	1.6
101.02465	7.2
108.02186	8.2
109.02975	2.7
111.00893	1.7
113.02457	3.2
119.03535	1.4
121.02972	2.0
123.04543	33.8
135.04539	1.4
151.00395	5.9
152.01166	10.4
153.01865	2.8
153.05591	1.4
161.04474	1.8
163.98625	0.9
165.07765	4.7
166.02736	5.4
167.03510	100.0
168.03873	4.0
174.85756	1.1
181.05040	5.4
194.02232	3.7
195.02907	1.2
197.04556	4.5
209.04564	33.5
209.06554	2.0
210.04907	1.6
233.18431	1.0
239.05608	5.0
251.05540	1.1
269.06641	9.4
311.07785	3.0
329.08868	1.3
440.99487	2.0
477.16171	60.9
478.16394	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	477.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	1.8
61.02224	1.6
64.37117	1.5
67.66810	1.4
68.99821	1.8
69.82166	1.5
71.41158	1.8
72.99317	4.9
84.99333	3.5
87.00885	3.3
99.92589	2.8
109.02975	6.2
112.98821	49.3
113.99097	2.0
116.92871	17.4
117.03477	2.0
121.02989	2.7
123.04556	2.2
132.02161	3.4
133.02968	23.7
134.03761	43.6
135.04518	4.5
149.02464	3.3
149.06096	5.4
150.03226	12.8
151.04019	7.7
160.01680	7.1
161.02458	100.0
162.03093	6.4
169.12381	5.0
175.04005	5.0
177.05725	1.9
178.02649	5.3
179.03435	1.6
190.02788	3.8
193.05084	31.7
193.06718	2.5
202.02780	2.0
205.05106	2.7
211.13400	8.7
212.54088	1.7
233.04543	16.1
267.06699	7.8
307.04642	22.7
313.07214	23.0
342.78995	1.6
385.34015	2.0
477.12158	2.2
495.11661	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15311	1.5
55.01869	3.7
55.22513	1.4
55.67429	1.3
57.03447	2.7
59.01384	100.0
60.55042	1.4
61.98836	2.1
68.99824	1.6
69.47766	6.9
71.01389	45.1
72.99310	3.2
73.02953	20.6
73.16077	1.5
75.00861	1.7
83.01398	14.4
85.02956	23.8
89.02457	14.7
93.03432	2.2
95.01404	2.3
96.96017	8.0
96.96961	2.4
97.02930	2.9
98.19386	1.3
98.22697	2.0
98.95594	4.4
99.00891	5.2
99.92619	8.4
100.93324	1.7
101.02455	47.4
103.04018	3.4
105.03455	2.5
109.02954	3.7
111.00930	2.3
111.62571	1.8
113.02464	18.9
115.92066	3.7
116.92872	3.3
119.03524	4.2
121.02968	30.7
123.00877	4.1
123.04605	1.6
125.02425	3.5
133.02994	3.4
133.05014	2.6
135.04521	10.9
135.06647	3.2
137.02466	11.5
138.03206	4.5
139.03995	1.8
143.03462	3.1
151.04071	1.6
153.01848	2.2
153.05576	24.0
157.05092	1.7
159.02965	2.2
161.02501	2.8
161.04572	27.3
165.48492	1.3
166.06360	58.6
167.03506	1.9
167.06709	2.9
179.03438	2.9
181.01410	3.7
181.08719	81.0
182.02220	8.2
182.09105	2.7
196.03831	2.6
197.04568	62.6
197.06392	3.2
198.04787	2.2
204.95963	2.3
211.06125	1.5
215.95186	2.7
216.95882	1.7
217.96750	7.4
218.97531	4.0
219.94708	13.1
219.98276	2.4
221.96286	1.6
224.03186	3.4
233.96165	2.8
234.97070	2.1
235.08206	7.1
239.05603	14.4
261.95645	2.1
277.66962	1.7
295.06042	1.9
299.07721	4.7
331.17645	54.7
332.18115	3.7
341.08774	2.4
353.01062	1.7
354.98947	2.8
396.99783	2.8
398.98245	1.5
417.17545	4.3
440.99200	21.9
441.99390	4.6
477.16077	54.3
477.23380	36.8
478.16956	2.9
478.23947	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	477.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72582	0.7
50.77109	0.6
55.01875	0.6
57.03454	100.0
58.03809	0.8
59.01384	94.1
61.11505	0.6
69.25617	4.1
71.01397	2.7
73.02978	1.1
77.10095	0.6
81.03452	3.7
83.01408	1.2
85.02969	1.7
85.22409	0.6
99.00880	0.7
99.04528	90.8
99.92594	1.3
100.04881	1.8
101.02451	16.1
113.02470	0.8
116.92882	12.3
117.92910	0.8
121.63372	0.7
123.04518	0.9
125.02460	31.3
127.25707	0.6
133.02937	2.0
134.03752	1.2
135.04556	5.3
143.03519	1.1
145.02995	0.6
151.03976	0.8
161.02495	4.1
161.04532	0.9
162.02730	0.8
166.22354	0.7
179.03580	3.6
198.53096	0.7
215.37102	0.7
249.14798	0.6
269.55414	0.8
291.18002	2.0
341.80371	0.7
380.04837	1.4
453.59619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	100.0
58.03783	0.8
58.67555	0.5
59.01387	88.3
60.01720	0.5
71.01396	2.3
72.44978	0.5
73.02949	1.2
74.67280	0.5
77.94028	0.5
81.03460	4.4
83.01418	1.5
85.02966	1.8
99.04532	94.6
99.92597	1.1
100.04876	1.8
101.02451	14.6
113.02471	0.7
116.92880	11.9
117.00577	0.5
117.92885	0.8
122.90778	0.6
125.02467	33.1
135.04535	1.5
143.03511	1.4
161.02466	1.8
161.04561	0.6
179.03514	0.6
217.05287	0.5
291.18060	2.0
333.19104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81533	0.9
57.03458	5.6
59.01387	100.0
60.01708	1.5
61.98824	4.0
71.01392	15.5
71.43308	1.3
73.02957	23.7
83.01394	7.8
85.02955	4.9
87.00883	1.5
89.02470	8.4
93.03476	2.2
99.04534	8.1
99.92580	2.1
101.02461	22.7
113.02473	8.3
116.92875	25.6
119.03524	3.9
125.02451	2.8
131.03500	1.7
133.02971	2.5
134.03763	2.0
135.04521	5.1
137.02438	4.5
137.09683	1.1
143.03500	1.8
150.03302	1.2
157.44670	1.3
161.02492	8.0
161.04533	3.8
167.10727	1.1
179.03474	3.0
199.07600	1.1
203.48961	1.2
311.05508	1.3
370.79349	1.2
380.05170	1.2
417.28485	1.6
477.31070	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	478.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17426	0.6
55.41960	0.7
61.98834	1.3
78.95909	19.3
80.84726	0.7
83.49908	0.6
116.92900	1.6
117.92911	0.6
120.65896	0.7
140.01234	4.1
150.79094	0.6
152.99615	0.8
182.36263	0.7
196.03812	8.3
210.96471	0.7
214.04843	2.2
239.33707	0.7
281.24890	100.0
282.25156	6.5
477.52466	0.7
478.29428	23.2
479.29999	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	478.9833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01008	0.9
59.01385	78.5
59.71650	1.0
72.99315	1.4
78.95922	1.7
98.22628	1.0
101.02480	1.0
117.00419	1.1
118.96944	1.3
135.04544	1.2
137.51747	0.7
141.00607	1.0
141.01704	3.8
156.99854	1.2
157.03607	6.0
159.01518	1.6
162.11256	0.7
167.49284	0.8
170.97845	2.0
172.97444	0.9
174.99190	2.1
183.01559	1.1
201.02568	100.0
202.02728	6.9
211.01108	0.9
217.00264	11.7
218.43330	0.8
218.56607	0.9
250.98988	1.2
283.02911	20.7
284.03021	1.4
293.00021	4.1
294.00089	0.8
299.00525	2.5
314.99081	1.2
354.33374	0.8
397.05756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30507	0.3
59.01381	0.9
61.98828	1.0
65.53207	0.2
72.99315	2.2
91.05524	0.3
101.02525	0.3
106.04310	0.4
107.05024	1.5
112.98851	0.4
117.03477	0.4
119.05008	0.2
123.04559	1.0
125.04794	0.2
133.02957	0.3
134.03764	5.6
135.04544	61.4
136.04852	1.7
151.04021	0.2
155.05040	0.4
161.02475	0.6
179.03531	4.3
181.06699	0.3
197.04572	2.3
209.06023	0.4
227.03525	5.2
227.07152	0.5
237.05595	0.4
239.03552	1.1
240.04312	28.6
241.04659	1.8
250.46471	0.3
253.05066	1.4
254.05815	0.4
255.06779	1.7
272.03375	0.6
281.04578	12.1
282.04901	1.0
299.05630	100.0
300.05963	5.9
418.25479	0.3
479.09888	12.0
480.10226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.6
69.30413	5.6
71.01385	8.9
72.99304	3.5
73.02961	1.7
85.02960	1.9
89.02453	8.5
96.96021	1.1
97.40327	1.0
101.02465	5.2
108.02168	2.3
109.02963	19.6
111.00873	1.2
113.02433	2.6
119.03601	2.4
119.05039	75.7
120.05392	2.5
123.04537	2.1
135.04543	15.2
145.02972	6.3
146.20168	1.1
151.04016	1.2
152.01164	3.4
153.00693	1.5
153.01952	27.3
163.04019	83.8
164.04379	3.1
179.03540	2.4
181.05072	23.4
182.05411	1.2
195.02985	15.0
197.04546	2.2
205.05049	1.1
211.07672	1.2
223.06145	1.4
255.05067	10.2
264.36243	1.0
267.98297	0.9
297.06180	1.8
299.05600	2.6
343.10361	62.4
344.10718	6.2
443.15585	4.8
461.10840	1.6
479.11942	100.0
480.12302	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	479.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19086	0.8
50.64711	0.7
59.01084	1.4
59.01385	27.4
59.12413	0.8
59.12733	0.8
68.99806	1.1
69.51915	3.8
71.01392	18.5
72.99308	3.0
73.02965	6.4
74.22785	0.8
83.01398	3.9
85.02958	6.5
87.00869	2.1
89.02448	4.6
92.02676	4.4
93.03472	71.8
94.03808	2.4
95.01403	4.7
96.99315	1.2
97.02993	0.9
99.00888	1.5
101.02460	11.3
108.02168	2.8
109.02943	2.2
113.02462	6.2
119.05038	1.3
121.02960	2.6
123.00900	22.0
123.04538	2.3
124.01678	1.4
124.84158	0.8
125.02448	1.7
135.04572	6.4
136.01706	4.8
136.04848	1.3
137.02464	96.2
138.03279	18.2
143.10785	1.2
147.04558	1.4
149.02414	1.2
151.04042	3.1
153.01875	1.5
153.05592	10.8
161.02449	1.1
161.04547	2.4
163.03947	1.4
166.99878	20.3
179.03485	3.7
180.03841	1.3
181.01500	1.2
182.02242	60.1
183.02676	3.0
191.03549	2.0
191.05515	1.6
197.04579	79.7
198.04955	2.8
239.05638	3.3
246.43585	0.9
268.19427	0.9
281.06702	60.5
282.07031	3.6
296.06451	1.4
299.05444	1.1
305.16098	3.2
347.12769	1.0
347.17078	2.1
435.13016	3.3
437.20407	2.8
479.11975	100.0
480.12210	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	479.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
59.01386	79.4
60.01707	1.2
66.04160	1.2
67.13878	1.2
68.05677	1.0
69.18526	4.1
69.18922	2.3
71.01386	1.4
71.12993	1.0
72.99319	3.1
73.02950	1.4
73.28913	1.0
81.03462	3.4
94.14719	1.0
99.04533	78.1
100.04868	1.9
101.02438	12.5
123.04546	1.8
125.02456	27.0
135.04555	4.9
143.03474	2.1
179.03554	2.5
182.73953	1.2
197.04567	2.7
249.13335	3.4
291.14392	1.5
344.71353	1.2
354.06479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17580	1.5
57.03457	100.0
59.01389	76.3
71.01377	2.0
72.99316	2.0
73.02895	2.1
75.98744	1.6
79.63242	1.4
81.03476	3.8
85.02916	1.8
93.03506	1.8
99.04532	80.0
101.02462	18.1
109.02983	2.2
112.98815	2.3
123.04514	4.1
125.02463	25.2
129.71947	1.5
132.18454	1.5
135.04559	8.9
137.99150	1.7
145.02980	1.8
161.02467	3.5
161.04607	2.7
167.03514	10.1
179.03514	2.8
197.04567	3.1
249.13548	2.9
256.09763	2.5
299.05612	1.9
317.06436	1.7
322.01724	1.6
336.00061	1.6
479.24951	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.229
Annotation	Ineupatolide
Peak:m/z	Relative Intensity
55.01880	1.4
56.60451	0.5
56.68569	0.4
57.03454	14.4
59.01384	3.1
59.03078	0.4
60.99324	0.7
62.50652	0.4
69.03459	1.7
71.01382	0.6
71.43318	0.7
72.99317	0.8
73.02959	0.4
79.05534	2.4
81.03468	1.8
83.05030	10.2
85.02972	0.9
93.03478	0.6
95.05042	1.3
97.06600	10.9
98.03756	0.6
99.04530	60.7
100.04868	1.7
105.07127	0.8
107.05048	1.3
108.08366	0.4
109.02979	0.5
109.06573	1.9
111.04561	0.5
111.08138	0.8
117.07121	1.0
119.05026	2.1
119.08656	1.7
121.06603	1.6
123.04504	0.5
125.06121	1.1
129.07092	1.1
131.08659	0.5
132.05823	2.2
133.02946	1.9
133.06610	4.2
135.04544	1.7
135.08165	1.9
137.06097	0.5
145.06560	0.6
146.07397	0.8
147.08215	3.3
153.09230	0.8
157.10239	0.6
159.08173	17.5
161.02467	6.9
161.09740	1.9
167.03516	0.8
173.09763	1.2
173.98450	0.5
175.11249	1.4
177.09221	0.8
179.03461	0.7
187.11287	0.9
197.04677	0.8
199.11334	2.9
202.10023	0.6
217.12350	2.1
223.09753	1.1
235.13553	0.5
261.11343	4.7
279.12399	100.0
280.12744	6.0
288.91052	0.5
320.03571	0.5
322.66403	0.4
343.50275	0.5
361.16693	0.5
479.22867	27.4
480.23444	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2654
Annotation	Pierisformoside F
Peak:m/z	Relative Intensity
53.12869	0.2
59.01390	0.5
71.67271	0.2
90.79860	0.2
114.11514	0.3
116.92895	0.2
118.92652	0.3
135.04564	0.3
135.97322	0.2
148.67653	0.2
161.02434	0.5
165.06720	0.3
183.07780	0.6
227.06732	1.1
261.05527	1.5
283.16867	0.2
285.15863	0.3
285.18677	0.8
301.18213	0.6
302.18790	0.3
315.19522	0.6
316.20248	0.5
317.21225	100.0
318.21582	8.0
407.83926	0.3
479.26523	23.9
480.26825	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.76666	0.6
60.01736	0.6
69.04555	3.3
69.04969	2.2
71.01389	12.4
72.99319	0.9
73.02951	7.9
83.01395	3.5
85.02956	4.1
89.02444	7.5
95.01411	1.1
98.22660	1.1
100.28265	0.7
101.02459	10.6
113.02464	9.1
119.03526	3.4
131.03528	1.1
132.56310	0.7
133.03006	1.7
135.04594	2.3
143.03500	1.1
161.02455	5.2
161.04637	2.2
179.03526	0.9
179.05696	2.1
335.17532	0.8
352.66412	0.7
419.24658	2.2
437.25778	1.0
441.99982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	22.6
72.00917	14.9
76.00192	1.0
82.27201	1.2
82.60613	1.2
88.12836	1.0
91.05493	1.2
103.05483	1.1
116.82325	1.0
137.33266	1.0
139.63591	1.1
141.98228	6.8
147.03333	2.4
147.04529	44.2
148.04968	1.7
158.55852	1.2
164.07179	69.4
165.07512	3.2
174.99231	9.9
187.98799	5.6
217.00307	20.9
251.33694	1.1
278.70590	1.3
322.06116	100.0
323.06549	5.3
335.53006	1.1
480.05032	18.7
485.00388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38266	1.5
57.03444	2.1
59.01385	35.4
61.98837	100.0
63.15442	1.2
67.45532	1.3
69.25323	7.1
71.01393	5.7
72.99333	1.5
73.02963	2.9
74.49537	1.2
75.81124	1.1
83.01395	1.8
85.02945	3.0
89.02444	3.1
98.22648	2.3
99.04520	1.4
101.02454	3.6
105.07113	1.4
105.12637	1.3
110.71109	1.4
113.02452	3.1
113.62904	1.2
119.05039	5.5
125.02414	1.3
133.02930	1.4
135.04541	5.9
138.77866	1.2
159.02965	1.2
161.02420	4.4
161.04558	2.4
163.04013	3.0
167.03490	1.9
173.08153	1.5
179.03569	2.3
197.04568	2.1
289.92905	1.5
313.16766	2.2
331.17697	8.7
373.18741	4.7
473.35742	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	480.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90604	11.6
55.89941	10.7
59.01392	84.6
67.23778	12.8
69.10097	100.0
72.99320	17.1
73.91428	13.0
78.91945	13.4
113.02458	25.1
118.92679	14.1
133.02939	34.8
134.03804	20.3
135.04558	89.7
161.02467	55.0
179.03548	67.7
180.03821	14.5
309.51389	16.1
380.73425	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0992
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
55.24691	0.5
59.01385	4.0
69.03456	2.6
71.01373	2.2
79.01903	0.9
81.03476	1.1
83.01389	1.3
85.02969	1.3
88.14182	0.6
91.01891	1.4
93.03446	1.7
95.01380	1.5
97.02956	2.1
98.22612	1.2
101.02434	1.4
107.01395	1.8
107.04964	0.6
108.02177	2.1
109.02950	2.3
113.02460	1.2
119.05017	2.3
121.02941	0.6
123.00890	6.7
123.04506	4.9
124.01685	20.8
125.02462	39.9
126.02790	0.9
135.04510	1.5
136.01640	0.6
137.02467	5.7
137.99539	0.6
139.03999	2.2
141.31500	0.5
149.99606	35.0
151.00414	4.4
151.04024	0.8
152.01181	2.4
153.01965	6.8
163.03993	1.8
165.01871	0.6
166.02715	0.7
166.99744	0.8
167.03516	11.4
168.00661	61.6
169.01410	4.5
179.03456	0.7
189.27641	0.6
201.55688	0.6
227.04726	0.5
269.06720	1.1
296.05286	0.7
307.17664	0.7
311.07690	4.3
313.05621	2.8
331.06781	5.5
341.08905	0.8
463.08542	2.6
481.09845	100.0
482.10178	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	481.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41367	0.9
59.01388	7.2
59.96783	1.0
61.98815	1.4
71.01393	5.1
72.99290	1.3
78.81864	0.9
85.02951	1.6
89.02442	3.7
99.04534	1.1
101.02448	2.9
105.03427	1.3
109.02972	2.3
113.02456	1.3
119.03490	1.5
119.05038	2.4
121.05089	1.3
125.02448	2.6
133.02968	25.1
135.04539	14.1
137.02435	2.1
161.02466	100.0
162.02782	3.9
163.03961	2.0
165.05432	1.2
177.02032	1.3
179.03511	8.5
234.99275	1.2
266.94202	1.1
268.07410	1.0
281.06747	1.4
283.09821	1.2
287.70419	1.1
288.43475	1.1
301.12039	2.3
308.87521	1.0
319.13068	2.5
324.66193	1.0
426.33252	1.2
445.13544	90.1
446.14087	8.3
481.16925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1355
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
52.97026	0.9
53.86039	0.8
57.83480	0.7
59.01383	10.5
71.01392	5.9
75.00912	0.8
81.03467	1.2
82.00609	2.0
83.01404	1.8
84.41383	0.8
85.02969	2.9
91.01897	1.5
93.03488	4.1
95.01393	0.9
97.02984	0.8
101.02471	2.8
107.01372	2.0
108.02174	7.1
109.02965	7.2
110.00105	7.7
111.00889	2.3
113.02433	1.3
119.05012	1.2
121.02976	2.4
123.00895	3.7
123.04533	6.7
124.01678	5.0
125.02458	15.5
126.02763	1.1
135.04512	2.0
137.02428	2.6
137.99605	6.8
139.00395	6.3
139.04030	21.9
149.99615	6.3
151.00381	2.8
152.01166	8.0
153.01949	100.0
154.02722	9.5
166.02708	2.9
167.03513	22.9
168.00673	11.6
168.04294	30.2
169.01324	1.0
169.05060	6.9
179.03629	0.8
183.02998	1.3
197.04568	3.0
297.06174	11.3
307.17627	2.7
311.07761	17.0
313.05588	1.0
341.08801	10.6
439.21533	1.4
481.14438	39.6
482.14764	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	481.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84215	0.3
55.01873	0.9
57.03443	1.2
59.01387	5.3
60.24896	0.3
62.99253	0.3
65.00331	0.5
67.01896	0.7
68.99819	0.7
71.01386	6.9
72.99319	1.2
73.02949	3.3
79.01853	0.4
81.03468	4.9
83.01393	2.1
85.02957	4.1
87.00892	0.4
91.01896	2.5
93.03466	0.3
95.01393	1.6
96.99300	0.5
97.02954	0.7
99.00877	1.2
101.02464	5.6
104.03867	0.3
107.01402	10.2
108.02193	6.4
109.02947	1.3
111.00854	1.7
113.02474	2.9
122.03733	0.4
123.00907	2.7
123.04539	13.2
124.01682	0.7
125.02452	4.1
134.03694	0.3
135.04556	2.4
139.00467	0.4
151.00388	12.6
151.04045	0.9
152.01172	6.3
153.01981	2.3
159.03015	0.6
161.02512	0.6
161.04582	0.6
164.04852	0.4
166.02704	2.1
167.03511	42.2
168.03922	0.7
179.03491	0.7
185.02209	0.4
195.03004	1.9
197.04462	0.4
207.06628	0.5
219.10291	0.3
232.35233	0.3
251.05681	1.2
279.02991	0.5
296.05444	0.4
311.07672	0.9
321.03964	1.0
466.18521	5.2
481.20837	100.0
482.21158	9.5
506.55280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2084
Annotation	Excavatolide M
Peak:m/z	Relative Intensity
53.96704	0.4
55.01879	1.5
57.03447	1.1
57.07616	0.4
59.01388	4.5
62.19190	0.4
63.00912	0.3
65.03939	0.3
67.01888	0.9
68.99821	0.6
69.26696	0.4
71.01392	6.0
72.99319	0.5
73.02946	2.9
74.02399	0.4
79.88457	0.4
81.03469	3.7
83.01399	2.0
85.02948	4.2
89.02470	0.5
91.01902	2.1
95.01424	2.0
97.02980	0.6
99.00891	0.7
101.02445	5.6
101.08808	0.5
107.01396	9.5
108.00114	0.4
108.02190	5.5
109.02942	1.3
111.00891	1.0
113.02442	2.4
122.03760	0.7
123.00895	1.9
123.04539	11.2
125.02480	3.5
135.04552	0.6
151.00372	12.6
152.01166	5.2
153.01993	2.1
161.04640	0.7
166.02701	1.7
167.03511	35.6
168.03813	1.0
195.03009	0.9
207.03081	0.5
229.20084	0.4
251.05629	1.2
261.90485	0.5
282.41345	0.5
296.05524	0.6
301.38025	0.4
311.07568	0.7
396.89017	0.4
466.18350	4.5
468.15244	0.5
481.20844	100.0
482.21201	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	481.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29343	2.7
69.29746	2.1
77.71753	0.8
78.95910	47.7
96.96977	3.1
98.40219	0.9
117.95827	0.8
124.36919	0.8
125.61626	0.9
140.04161	0.9
145.51666	0.9
147.49890	0.8
152.99603	66.9
164.42900	0.8
171.00647	18.3
175.61208	1.0
180.03926	0.9
227.03296	4.5
245.04329	100.0
246.04665	1.8
253.21747	63.8
254.22116	3.8
481.25763	35.9
482.25928	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	482.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	94.2
59.38350	16.8
69.36352	100.0
71.01396	34.4
73.02962	46.4
87.00885	44.8
101.91629	15.8
111.29156	19.9
119.04943	18.6
135.04561	88.0
161.02444	66.2
163.63863	18.5
179.03633	23.4
279.10257	38.3
294.08121	20.1
342.20029	22.6
416.72351	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	482.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75767	9.8
54.76447	8.8
59.01390	92.6
61.98812	10.3
63.87595	9.0
71.01395	52.0
73.02968	18.4
85.02955	39.8
87.04536	11.6
88.39577	9.2
89.02469	19.0
95.01402	11.6
99.00847	13.4
101.02482	15.4
104.07209	8.8
107.29998	10.8
109.02905	11.6
113.02483	67.4
118.59963	10.0
133.02924	13.5
134.03767	18.8
135.04538	100.0
146.09909	10.0
147.89247	8.6
160.01688	23.0
161.02495	47.0
161.04594	12.3
175.04021	29.7
176.04320	11.2
179.03554	21.4
197.04626	9.4
242.93456	9.7
246.39662	11.6
267.22888	10.7
312.23843	10.5
312.55212	9.4
431.87259	10.3
483.29175	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	482.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34188	5.4
57.00430	5.0
57.05167	6.0
59.01384	100.0
61.98827	9.5
69.52339	5.3
70.47643	13.3
70.91087	5.7
71.01392	13.9
72.99303	19.0
74.94251	5.6
79.76299	7.4
84.97607	5.6
89.02430	10.5
116.15966	6.4
119.03499	5.9
123.04503	15.2
130.67329	6.2
133.02983	29.1
134.03761	6.9
135.04543	69.3
149.02570	6.3
161.02475	76.0
162.02632	6.1
179.03471	27.4
197.04524	20.5
197.72028	5.7
281.95636	6.2
303.89691	7.0
359.07867	7.0
408.61761	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	483.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39487	1.3
56.83281	1.4
59.01393	8.0
61.98864	1.5
69.40810	7.5
70.03008	1.3
72.99318	8.7
74.47759	1.5
91.04790	1.6
97.82492	1.2
98.22661	2.7
100.00422	5.5
105.15895	1.6
109.03014	1.9
119.05061	7.1
133.01201	3.2
133.02988	4.4
135.04549	5.5
137.02464	1.8
145.52872	1.5
147.04547	25.6
149.00642	1.7
161.02457	6.4
163.00996	5.3
164.01738	1.9
165.05592	33.9
170.02457	4.1
174.00177	3.5
176.01762	8.1
179.03546	2.2
183.03232	3.2
188.01843	8.1
190.03329	10.5
191.00496	7.0
192.01306	3.4
201.99725	2.5
202.03387	4.0
204.04868	4.4
215.00598	1.7
216.01314	11.9
218.02815	23.7
219.03065	2.0
230.02870	7.2
239.04570	1.6
245.03929	9.6
247.05482	8.0
273.03433	100.0
274.03705	5.3
289.02921	2.3
291.04483	6.3
303.90216	1.5
317.02347	10.8
323.57803	1.6
335.03278	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	483.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
59.01388	10.6
68.99825	1.6
71.01389	4.5
72.99315	4.4
73.02969	0.8
75.00884	9.9
75.02583	1.4
83.01390	4.6
84.99322	1.5
85.01026	2.7
85.02954	1.0
87.00881	1.7
88.98823	0.4
89.02441	2.2
96.99327	0.7
98.00089	0.6
99.00890	7.7
99.02625	0.7
100.98813	1.4
101.02471	2.0
103.00388	6.8
111.00887	2.8
112.98822	33.7
113.02459	0.7
113.99165	1.2
115.00373	2.4
115.02091	1.8
116.95924	0.4
117.00417	0.5
117.01939	2.4
124.98849	1.8
126.98942	0.6
127.00377	1.5
127.02116	0.5
129.01976	1.9
129.03674	1.0
131.03470	0.4
131.05110	0.4
135.02997	0.4
142.99931	1.3
143.01570	2.0
143.03552	0.5
145.01443	57.0
146.01802	1.8
154.99899	1.4
157.01427	2.6
159.03027	0.6
171.01079	4.2
171.88806	0.4
173.00969	1.0
179.05621	0.5
184.12585	0.5
187.02512	1.0
187.04088	0.6
197.35262	0.4
198.27431	0.4
201.02075	0.6
203.03745	1.2
213.02107	0.6
217.05305	0.6
231.03195	2.0
243.03200	0.8
245.04813	1.3
262.06061	0.5
263.05798	11.1
274.99161	0.5
277.07452	0.6
289.00842	0.6
305.06842	1.1
335.04330	2.9
335.07986	2.5
341.11005	1.5
347.08139	0.5
359.04489	0.9
363.07602	0.6
391.06989	12.2
392.07294	0.9
419.06274	1.8
423.09302	0.7
451.09052	16.2
452.09619	1.0
483.11710	100.0
484.11972	7.6
488.94598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95562	6.8
58.29877	7.0
59.01383	51.7
63.62440	5.8
69.36118	37.3
71.01371	16.6
72.99299	8.7
73.02958	44.8
80.15997	6.5
83.01426	8.2
86.13183	6.2
98.21944	9.7
99.04524	100.0
101.02480	19.1
103.15196	6.8
113.02467	7.5
133.02975	12.4
135.04544	25.8
161.02444	32.3
265.85684	7.0
423.22543	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08121	2.5
51.79504	2.3
56.97244	2.0
57.70825	2.2
58.51376	2.4
58.94112	2.2
59.01379	20.7
61.98828	2.6
71.01390	10.8
71.23333	2.7
73.02979	4.2
85.02977	8.5
85.19610	2.4
89.02465	5.4
95.39920	2.4
96.96011	10.1
101.02477	12.0
113.02443	5.6
114.93430	5.4
121.02971	100.0
122.03312	3.3
130.85547	2.5
135.04538	33.1
151.04062	2.3
163.06157	8.9
181.07201	10.7
205.07230	4.1
325.11420	75.4
447.15112	34.5
448.15518	4.4
483.12680	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	483.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53392	2.3
59.01386	100.0
71.01384	13.1
72.99305	5.9
73.02962	3.9
85.02951	5.2
89.02467	4.5
101.02448	6.0
108.59828	2.5
112.86622	2.9
113.02436	6.3
133.02960	5.3
134.03789	3.5
135.04555	24.9
136.04868	3.2
161.02435	18.2
161.04506	4.2
397.22299	3.9
483.29324	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	483.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95519	0.4
65.30880	0.5
69.16355	3.2
73.91240	0.5
78.95911	22.8
96.96980	1.4
97.38766	0.4
152.99608	32.2
154.68568	0.5
171.00665	1.5
227.03310	4.6
245.04347	1.0
255.23317	100.0
256.23654	5.1
391.22565	0.8
426.59000	0.6
483.27310	52.1
484.27637	4.6
491.82764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91798	0.3
64.56451	0.2
70.64742	0.4
78.95912	8.4
82.42889	0.3
96.96963	0.7
118.25450	0.3
145.34645	0.3
152.99605	14.4
171.00624	1.4
227.03300	2.8
245.04373	1.6
255.23323	100.0
256.23657	5.6
272.01276	0.3
308.70407	0.3
312.18744	0.3
483.27335	26.0
484.27603	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	483.3117
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
74.01668	1.1
86.80878	1.1
87.16229	1.1
90.77636	0.9
109.18394	1.1
148.40767	1.3
259.70624	1.1
270.08865	1.1
313.14450	1.6
393.31439	1.7
421.31107	2.7
453.30167	6.0
483.31219	100.0
484.31671	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	483.3122
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
61.98825	0.4
71.01402	0.4
214.18898	0.4
243.21474	0.4
363.26941	0.8
377.28543	1.6
379.30136	2.5
391.30334	0.6
407.29568	1.4
409.30981	2.4
435.29282	0.5
437.30112	0.6
453.30161	26.9
454.30414	3.3
483.31195	100.0
484.24664	0.6
484.31592	12.1
502.63074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3122
Annotation	Ganolucidic acid E
Peak:m/z	Relative Intensity
58.33887	0.6
66.82951	0.4
70.65356	1.0
71.05025	1.7
75.02680	0.5
81.29321	0.5
95.44863	0.5
100.71962	0.5
103.74249	0.4
109.24470	0.5
133.02957	0.7
161.02425	0.7
225.16507	0.6
367.26288	1.1
419.29483	0.6
421.31403	3.7
423.29129	1.6
439.32162	1.2
465.30139	14.7
466.30536	1.6
483.31210	100.0
484.31555	11.3
507.62094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28776	27.3
52.80194	27.5
59.01383	98.3
61.98836	63.7
69.75873	64.2
72.53994	27.5
76.17673	25.6
81.02082	24.4
92.35749	25.2
98.41024	25.2
107.42213	29.6
109.02987	27.2
113.37794	25.2
127.18880	24.8
133.02980	49.6
135.04539	96.2
136.84859	24.6
137.02480	56.8
157.87810	31.2
161.02452	100.0
163.04013	37.8
179.03497	32.1
190.65302	29.8
237.64719	25.7
281.42200	28.1
289.69199	32.8
303.90070	29.9
304.55618	24.6
485.33008	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48128	21.0
59.01377	100.0
61.98838	31.6
71.01390	30.5
71.14703	26.8
74.37326	21.2
88.10186	19.7
90.77209	19.8
99.04549	20.3
101.02445	21.7
133.02892	35.5
135.04538	98.0
140.60236	18.0
143.44862	21.4
152.82008	22.4
161.02477	74.2
193.05029	21.6
456.15048	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	485.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.2
60.69004	0.6
61.98833	1.5
71.01379	1.6
72.99318	12.1
73.02961	0.8
79.95752	2.7
83.63125	0.6
84.13555	0.6
85.02966	0.6
85.04539	0.6
89.02444	0.7
90.96462	0.6
91.47427	0.6
96.96021	100.0
98.21904	1.7
101.02457	1.3
105.03482	0.9
109.02938	1.3
113.02463	0.6
121.02968	1.6
123.00884	0.7
125.02486	1.0
133.02960	9.3
134.03790	3.2
135.04538	25.1
136.04855	1.1
137.02469	5.7
146.03682	0.7
149.02472	5.2
150.03265	2.8
151.04012	1.8
152.04829	0.7
161.02469	30.2
161.06070	1.6
162.03117	1.3
163.04012	1.5
164.04807	0.7
165.01993	1.1
166.02702	1.1
175.07631	2.3
177.01939	13.1
178.02676	1.9
179.03516	24.2
179.05096	1.2
181.05103	2.3
191.00198	0.9
192.98193	3.2
193.01439	2.2
194.02206	2.7
197.04510	0.8
203.07153	0.7
204.04631	0.6
205.05092	0.8
207.03012	1.0
208.03792	9.4
209.04553	10.4
213.95850	0.9
225.04033	1.1
226.04869	1.0
232.97653	0.9
233.08060	0.9
234.99243	8.4
246.99348	0.8
247.09877	0.6
261.97906	0.8
262.98737	2.8
269.08301	1.2
277.00363	0.9
287.95789	1.5
288.96515	0.9
290.98325	2.8
291.08801	3.5
293.97086	2.1
300.10031	1.1
313.07202	1.0
323.11395	2.8
332.97165	0.7
337.00369	0.7
425.02036	2.9
484.31693	0.6
485.04214	2.2
485.23825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1249
Annotation	Parvifolol C
Peak:m/z	Relative Intensity
50.59636	3.9
60.15958	3.3
62.72871	3.4
70.30415	5.9
72.99315	3.4
94.05862	4.2
94.68037	3.1
97.34948	3.4
105.03470	4.3
109.03036	3.6
124.01733	5.0
125.02509	7.0
128.65244	3.8
132.96463	3.6
133.02975	3.8
167.03476	9.1
177.01938	9.7
178.52081	3.6
179.03491	11.9
189.17223	3.9
207.03079	4.0
237.09238	13.9
245.09636	4.3
256.75458	3.8
257.09735	3.5
263.07074	5.4
265.08701	22.7
273.09216	10.4
281.12039	5.5
289.08658	4.2
323.10483	4.7
337.08838	6.0
349.08676	4.3
351.10349	7.7
353.11755	6.0
363.10370	5.1
365.08319	5.2
379.09891	12.3
381.11426	12.7
397.10910	6.2
402.74283	3.9
409.11212	6.6
411.12405	11.1
413.14294	5.3
415.28247	3.9
423.08600	8.6
425.10236	8.4
428.08878	7.0
439.11813	15.7
441.13556	6.4
441.33859	24.6
443.31720	6.8
453.09897	9.6
455.11444	7.6
457.13052	10.1
467.11136	20.6
485.12500	100.0
485.32669	47.7
486.12717	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	485.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30803	0.6
52.36634	0.8
59.01387	10.0
69.63181	2.1
71.01388	2.1
73.02958	0.9
78.95906	1.8
79.95747	3.3
85.02973	1.0
90.97132	1.1
91.33097	0.7
96.96021	100.0
97.93151	0.7
101.02443	1.0
113.02457	1.0
114.93408	1.3
118.96635	1.7
133.02980	1.9
147.08203	1.4
156.98135	0.8
160.96236	0.7
160.97696	1.9
161.02502	0.9
161.07219	1.5
175.04053	0.7
177.01959	1.0
189.06729	2.2
233.04727	0.9
249.04565	1.0
251.06071	3.4
263.06033	5.2
305.07077	9.8
307.04761	1.4
317.07343	0.8
323.08017	1.8
365.09174	2.1
387.16650	10.0
388.16846	0.7
425.11337	4.6
449.07544	0.7
485.12671	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
70.53513	0.6
72.99315	21.2
105.03444	0.3
109.02972	0.8
118.49594	0.3
121.02978	1.5
123.00909	0.5
123.04547	1.2
124.01666	0.6
130.74794	0.3
132.02188	1.5
133.02969	27.0
134.03819	1.9
135.04541	15.8
136.01700	0.6
136.04866	0.7
137.02440	5.4
138.03242	1.3
138.85573	0.3
139.04034	0.9
149.02457	4.2
150.03230	1.8
151.04025	4.0
152.04790	0.6
159.04503	0.4
161.02457	100.0
162.02792	3.3
162.83905	1.2
163.03999	1.9
164.04753	1.0
165.01932	0.6
166.02756	1.7
167.03470	0.6
177.01933	15.0
178.02522	1.3
179.03513	19.9
180.03894	0.8
181.05072	4.5
184.03651	0.3
193.01425	1.2
194.02203	2.4
208.03786	12.3
209.04544	7.7
226.04825	4.3
267.06693	0.5
269.08319	0.8
291.08774	0.5
298.08508	0.6
300.10107	1.2
305.10391	0.7
313.07202	1.1
323.11389	6.1
324.11823	0.5
344.09061	0.6
388.08087	1.4
485.14371	0.5
485.32834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.6
61.90671	1.6
61.98846	5.1
65.27209	1.7
69.26280	7.3
71.01376	2.5
72.99319	76.9
73.02953	2.4
74.24537	1.7
84.30031	1.9
93.03506	2.2
96.96038	2.5
98.22600	4.1
105.03462	2.7
109.02993	2.2
121.02976	7.4
123.00890	1.7
123.04543	5.6
124.01677	3.0
125.02541	1.9
128.48276	1.7
132.02173	2.1
133.02969	30.7
134.03769	15.0
135.04549	97.3
136.04887	3.7
137.02455	20.0
138.03207	3.9
139.04030	4.3
149.02480	22.4
150.03249	13.4
151.04031	12.0
152.04803	2.8
159.04555	4.5
161.02463	100.0
161.06099	6.7
162.03073	7.7
162.40919	1.7
163.04044	6.8
164.04800	5.6
165.01942	4.2
166.02788	5.3
167.03540	1.9
170.13786	1.7
174.87238	2.0
177.01962	66.9
177.05420	1.8
178.02673	4.2
179.03526	88.6
180.03836	4.8
181.05098	12.8
189.09264	3.4
191.03551	3.9
193.01471	8.7
194.02238	15.9
200.62540	1.7
205.05174	2.6
208.03784	44.9
209.04568	42.2
217.08752	1.9
226.04910	10.4
229.08824	1.9
233.08138	2.3
247.09877	2.7
269.08154	4.6
291.08749	10.5
298.08517	3.1
300.10016	7.4
313.07208	4.0
323.11319	18.2
388.08044	2.0
485.32535	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	485.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68103	2.6
59.01376	8.2
61.05333	2.4
63.49999	2.6
66.48824	2.9
67.69386	2.6
70.24896	6.2
91.96478	3.0
92.20345	2.6
95.40317	2.6
133.02963	3.9
134.03743	9.2
135.03490	4.7
135.04536	100.0
136.04886	3.0
155.00867	2.7
161.02460	11.9
179.03513	84.7
180.03871	3.1
185.32338	2.7
190.81532	2.8
191.07196	5.1
202.06357	7.7
207.02878	2.5
233.08293	3.2
235.09914	3.3
245.08231	3.0
248.03284	6.8
261.07703	15.7
305.10355	56.4
306.10825	2.9
323.11386	14.6
453.49435	2.7
485.32883	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	485.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18016	1.0
59.01386	100.0
60.01716	1.1
68.26272	0.8
68.96776	0.9
69.03442	1.9
69.78728	3.8
70.17812	1.1
71.01381	7.2
71.09583	0.9
73.02944	2.3
78.78393	1.0
83.01383	2.9
85.02959	2.9
87.00881	9.1
89.02454	3.1
92.16740	1.1
96.96021	1.3
97.02931	1.4
101.02445	8.6
103.00377	1.1
113.02428	3.2
119.03473	1.5
125.02451	3.1
143.03526	3.7
161.04591	2.0
168.91422	1.8
221.48376	0.9
230.21367	0.9
264.92139	1.0
286.09579	0.9
305.08847	22.4
310.33710	1.1
314.59610	1.0
323.09882	9.6
324.10223	1.1
365.10950	14.7
383.11932	3.9
425.12970	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	485.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89916	1.1
59.01386	100.0
67.01844	1.0
69.03470	1.9
69.32425	4.4
70.93875	0.8
71.01392	9.2
72.99322	2.0
73.02962	9.3
81.03452	2.1
83.01394	1.2
85.02980	6.1
87.00887	59.5
89.02461	2.5
97.02957	3.2
98.21895	2.2
101.02454	21.1
103.00384	3.6
105.68211	0.9
113.02486	2.6
125.02460	6.4
126.27893	1.2
133.02960	2.5
134.03760	1.2
141.01965	1.3
143.03493	3.6
146.19897	1.2
149.06111	1.3
155.95236	1.0
176.86600	0.9
188.21320	1.0
210.17107	1.0
233.04675	1.2
242.14165	1.1
281.05991	1.1
305.08804	54.6
306.08978	2.3
323.09839	8.3
365.10922	23.3
366.11490	1.9
383.12106	1.7
425.13132	4.9
456.12646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14204	1.0
55.01885	1.3
57.03463	4.5
58.00603	1.1
59.01385	100.0
65.75063	0.9
69.03452	1.9
70.20849	1.2
70.46839	0.8
71.01391	26.0
71.94831	0.7
72.28464	0.8
72.99295	2.3
73.02954	32.2
75.00875	6.6
83.01413	5.7
83.05023	1.7
85.02971	8.4
86.00117	1.0
87.00896	3.3
89.02458	10.2
91.74017	0.8
95.01398	2.4
95.05064	1.2
96.96023	22.8
97.02946	7.2
97.06595	0.9
99.00881	1.9
101.02458	20.6
108.88268	1.2
109.02974	1.0
113.02458	13.4
116.48302	0.8
119.03510	3.3
125.02407	1.2
131.03513	3.4
133.02936	1.9
143.03577	1.1
156.69125	1.0
158.00046	1.0
159.02956	1.7
160.06458	3.0
161.04552	6.3
161.07230	41.0
162.07709	1.0
170.79448	0.9
175.08781	13.3
177.02005	1.1
179.05602	1.4
187.08784	2.7
189.06714	63.4
190.07095	2.2
197.01460	0.8
201.12875	3.5
203.08304	13.9
207.10141	1.0
219.13950	1.8
221.06685	4.7
229.09901	1.0
231.13934	1.2
233.04503	1.0
243.13998	1.6
263.06058	1.8
263.12903	2.6
265.14584	1.8
281.14011	1.9
293.14044	2.6
305.07126	3.5
305.11453	8.1
307.04648	0.9
320.25900	0.9
323.15378	1.7
365.16165	2.0
387.16614	2.8
425.11703	2.0
425.18228	4.2
485.17892	54.1
486.18088	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	485.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23013	0.3
59.01384	7.1
69.03491	0.4
71.01386	1.4
72.99323	1.8
73.02963	0.5
85.02971	0.8
97.03005	0.4
98.22712	0.8
100.96605	0.3
101.22002	0.3
113.02508	0.4
124.74203	0.4
133.02977	1.7
135.04549	1.4
149.02403	0.8
151.04005	0.6
161.02478	6.2
177.01953	0.5
179.03557	0.8
181.05113	1.5
194.07382	0.9
206.68933	0.4
207.11803	2.4
222.06897	5.9
236.08452	4.7
248.08366	0.4
249.09229	2.3
250.09883	1.8
251.10800	45.3
252.11147	2.4
262.10037	3.3
263.10797	29.3
264.11111	2.0
279.10287	1.2
280.11087	14.4
281.11859	100.0
282.12195	5.1
304.59705	0.4
323.11304	1.0
335.07236	0.4
389.13138	0.4
485.18198	32.9
486.18710	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	485.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
60.98196	1.1
69.41085	4.4
73.11575	1.2
76.64773	1.1
77.32271	1.0
92.59087	1.1
119.47191	1.2
128.71709	1.3
145.33199	1.0
161.02509	1.7
220.32149	1.2
222.07047	1.5
223.07654	2.8
236.08443	3.1
237.09236	10.7
238.09882	1.5
251.10797	47.8
252.11159	3.1
253.12363	69.2
254.12599	5.4
263.10843	1.3
279.10287	53.9
280.10944	6.8
281.11862	100.0
282.12256	5.1
418.66962	1.3
437.78699	1.2
457.51556	1.2
485.18268	40.1
486.18674	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	485.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01543	0.3
59.01399	2.1
66.80904	0.3
69.48853	1.2
71.01381	0.6
71.03412	0.3
73.02948	0.5
85.02960	0.4
116.92875	0.7
142.71143	0.3
179.03619	0.3
181.44447	0.4
194.07368	0.4
207.10056	0.3
207.11723	2.1
207.24625	0.3
222.06882	5.9
223.11305	0.7
236.08485	4.0
249.09192	1.2
250.09993	1.0
251.10802	45.3
252.11166	3.1
253.12215	0.4
262.09995	1.2
263.10797	23.9
264.11118	1.2
279.10382	2.0
280.11096	5.9
281.11862	100.0
282.09198	0.4
282.12228	6.5
386.61871	0.3
425.15744	0.3
443.17215	0.4
485.12650	0.9
485.18265	13.9
485.32678	1.6
486.11789	0.4
486.18341	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	485.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11000	4.8
54.07502	4.6
59.01387	30.4
68.31774	4.4
71.01383	13.7
71.02254	4.9
72.99323	20.9
73.02950	14.1
75.30138	4.2
75.38013	4.1
76.11643	4.3
78.95912	57.7
82.81769	6.4
86.36195	4.3
89.43643	4.3
93.03467	11.4
96.96021	39.8
99.04539	22.7
101.02462	4.9
109.02978	19.6
109.06599	8.9
110.98558	36.1
113.02442	6.0
123.04572	10.7
124.31142	4.5
125.02512	8.4
125.09726	38.1
135.04553	91.5
135.08235	4.8
137.02460	28.6
160.01717	6.4
161.02463	9.0
175.04050	9.2
177.12878	17.4
179.03537	24.8
185.02440	10.7
189.12866	7.4
197.04536	23.5
201.12860	8.4
214.93353	5.1
217.12373	13.4
219.13927	12.7
232.10866	6.1
235.13411	100.0
245.11841	7.2
247.13329	7.6
263.12872	42.7
283.09796	15.3
293.04300	6.2
295.05933	8.6
305.13971	12.2
311.09259	43.5
321.04022	22.6
326.11557	25.6
328.47595	5.6
339.05017	18.3
341.13919	67.0
449.18118	29.8
467.19324	48.9
485.20120	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	485.2033
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
59.01179	0.3
59.01390	4.2
69.48640	0.8
69.49033	1.2
71.01377	1.1
73.02948	5.3
81.03477	2.1
82.95428	1.3
85.02940	0.6
91.01906	1.7
98.21926	0.7
101.02454	0.6
117.05580	0.5
122.03752	1.3
123.04580	0.5
135.04543	1.8
135.11804	5.9
137.02507	0.7
137.09741	9.3
137.69817	0.4
161.02452	0.8
161.09744	0.6
179.10791	100.0
180.11140	4.3
205.08711	13.6
206.08949	0.7
221.11922	0.6
223.09760	5.0
344.68060	0.5
441.17529	3.4
467.19162	1.9
485.20297	61.6
486.20694	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	485.2035
Annotation	4-[6-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-methyl-2-oxohexyl]dihydro-3-methylene-5-(2-oxopropyl)-2(3H)-furanone
Peak:m/z	Relative Intensity
55.01883	1.5
57.03444	3.9
58.92993	0.9
59.01385	57.1
69.03449	2.7
69.07998	1.5
69.08404	4.9
71.01389	29.4
71.05022	5.4
72.99326	1.2
73.02952	30.0
79.01897	0.9
81.03493	1.8
82.12630	0.8
83.01405	6.2
83.05025	5.0
85.02950	6.5
87.00893	1.2
89.02453	4.3
93.03474	4.4
95.01389	1.1
95.05024	0.9
96.96011	2.5
97.02959	4.0
99.00874	1.1
101.02455	17.5
111.04526	2.0
112.98835	1.4
113.02460	9.7
119.03526	1.6
123.04496	0.9
123.08179	1.5
132.02223	1.0
133.02977	5.9
134.03755	4.9
135.04498	2.2
135.08167	1.4
137.02443	1.4
143.03549	1.2
147.04573	2.0
147.27849	0.8
149.04585	1.8
149.06075	2.2
151.07701	7.6
160.01624	4.1
161.02444	2.8
161.04591	5.0
161.05919	1.5
163.07663	3.5
175.03987	4.3
176.04726	2.3
177.01952	3.8
177.05579	0.9
178.02663	1.0
179.03542	1.1
179.07141	2.5
191.02084	1.0
191.07121	3.3
193.05022	4.9
194.05911	1.0
205.12352	2.1
207.06633	1.3
219.13942	1.8
223.09908	0.9
223.13365	1.2
233.04663	2.0
233.11859	5.5
235.06111	8.6
235.13434	4.9
245.11848	5.9
247.13414	2.1
248.10599	5.5
249.11115	1.2
250.12181	1.5
251.13007	5.6
262.12170	2.4
263.12915	52.2
264.13297	2.4
265.07172	1.7
265.14478	15.7
279.12418	2.4
281.14005	17.5
295.08273	2.0
307.04688	2.1
309.12061	1.7
323.15134	2.4
345.56436	1.0
411.20486	1.0
425.18362	4.6
443.19321	3.0
485.20361	100.0
486.20773	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	485.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03450	5.9
58.00611	1.0
59.01385	100.0
60.01730	0.8
69.03458	1.7
71.01387	23.4
72.99287	0.9
73.02952	29.7
75.00871	5.9
77.04054	0.6
83.01392	5.7
83.05039	1.1
85.02977	6.0
87.00901	3.3
87.01497	0.5
89.02456	8.4
93.03481	0.7
95.01407	2.2
95.05042	2.0
96.96017	19.1
97.02959	7.3
99.00896	2.6
99.92620	0.7
100.93381	1.4
101.02453	18.7
101.06101	0.7
109.02976	0.8
112.98824	1.4
113.02464	11.0
116.92795	0.7
119.03514	2.9
119.05034	0.8
123.04494	0.6
123.08173	0.9
125.02424	1.5
131.03511	3.5
133.02922	3.0
134.03746	0.6
135.04547	0.9
135.08156	0.8
143.03532	1.3
145.02971	0.7
145.07698	0.7
147.08270	0.7
149.04593	0.8
149.09718	0.7
160.06503	2.9
161.02475	1.2
161.04576	4.3
161.07222	23.7
162.07573	0.7
163.03992	0.7
163.11308	0.9
168.43224	0.6
173.09764	0.9
175.04062	1.0
175.08807	8.6
177.01958	1.0
179.05612	0.8
185.13286	1.2
187.08875	0.9
189.06714	31.4
189.12863	0.7
190.07043	1.4
191.10805	1.1
201.12843	5.3
203.08310	7.4
203.10359	0.8
203.10741	0.7
203.14375	0.8
204.08583	0.7
215.87215	0.7
219.13930	1.8
221.06728	2.8
229.09929	0.8
229.12520	0.7
231.13960	2.2
233.04610	1.5
233.11858	0.7
243.13901	1.3
245.11824	0.9
247.13475	0.7
251.06085	0.8
261.15085	0.8
263.06128	0.8
263.12833	2.9
265.14502	1.2
281.13916	1.9
293.13983	2.1
305.07104	2.0
305.11435	4.7
307.04559	1.6
307.32654	0.6
321.13666	0.6
323.14914	2.4
351.50226	0.7
365.15997	2.2
387.16702	2.1
425.12241	0.9
425.18140	4.6
465.54428	0.6
485.17862	31.4
486.17953	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	485.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47025	0.2
59.01370	0.5
61.98828	0.2
69.83109	0.3
69.83424	0.6
71.05029	3.0
72.99332	0.3
73.02957	0.7
83.05007	0.6
88.21487	0.3
93.24782	0.2
99.04538	0.3
123.08217	0.3
133.02977	0.3
134.03745	0.4
134.85289	0.2
135.04543	5.0
161.02449	1.2
170.60118	0.3
172.49666	0.3
179.03517	3.9
187.88513	0.3
191.07216	0.3
202.06396	0.3
233.04581	0.3
261.07632	0.7
281.11856	3.7
305.10287	2.5
339.27020	0.3
369.27783	0.7
375.30475	0.7
377.28491	0.9
391.30145	0.6
393.27435	0.3
393.31500	1.3
403.30124	0.7
405.31476	0.3
407.29630	0.7
411.32639	0.3
419.29373	0.5
421.31094	0.6
423.32761	1.9
425.30701	2.4
434.49780	0.3
437.30630	2.6
441.33624	0.8
451.28058	0.3
453.30109	0.3
465.29977	0.5
467.31696	18.5
468.32266	1.6
485.32770	100.0
486.33105	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	485.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52939	0.4
69.47661	1.5
70.69498	0.3
102.99057	0.4
133.02982	1.7
190.02780	1.1
273.80176	0.4
297.19620	0.4
305.21268	2.8
405.28210	0.4
409.27448	3.4
421.31036	0.9
423.28873	2.6
425.30606	2.5
439.32205	69.2
440.32581	6.0
441.33835	2.2
485.32782	100.0
486.33057	10.6
486.40131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3275
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.76657	0.8
66.61020	0.7
71.05025	2.3
98.21857	1.2
120.09226	0.7
122.45200	0.8
157.85501	0.6
164.86397	0.8
168.49452	0.7
219.89598	0.7
369.28143	0.8
393.31882	1.3
423.32593	1.4
425.30685	3.1
437.30414	2.3
467.31674	17.0
468.32208	1.7
485.32764	100.0
486.33240	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	485.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79832	0.8
57.74981	0.9
62.41917	1.1
70.69670	1.8
94.35119	0.8
121.80294	0.9
169.70999	0.9
437.30670	2.1
449.36490	1.1
455.31729	10.4
456.32156	1.0
485.32770	100.0
486.33109	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	485.3277
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
58.24192	0.3
58.27896	0.3
59.81404	0.3
62.65635	0.3
69.88544	1.0
69.88879	0.3
73.02943	0.5
78.83235	0.3
82.41412	0.3
98.22482	0.4
99.13337	0.3
122.26807	0.3
132.19232	0.3
158.37921	0.3
238.30632	0.4
285.25125	0.4
414.68240	0.4
485.32767	100.0
486.33127	8.5
502.94833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3277
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
59.01374	0.1
63.20840	0.2
69.08054	0.9
83.05027	0.7
125.87338	0.7
131.98862	0.1
146.42923	0.1
156.89241	0.2
158.68456	0.1
185.02754	0.1
228.77977	0.1
368.04568	0.1
373.29291	0.2
405.32043	0.2
407.29147	0.2
419.07495	0.3
423.32431	0.2
441.33905	0.2
452.06497	0.3
455.32056	0.2
467.31711	1.7
468.14185	0.2
473.32895	0.2
485.32779	100.0
486.06805	1.2
486.33115	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	485.3277
Annotation	2-Hydroxyrubiarbonone E
Peak:m/z	Relative Intensity
59.72287	0.6
75.00051	0.5
124.18028	0.5
135.99200	0.5
144.60960	0.5
154.03250	0.5
155.28218	0.5
205.40199	0.6
319.38513	0.5
332.70697	0.5
342.86450	0.6
382.34854	0.6
386.87317	0.5
400.60693	0.6
409.31186	1.0
437.30530	3.0
455.31717	51.3
456.31866	5.0
485.32788	100.0
486.33151	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	485.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79099	0.4
71.04661	0.5
71.04987	0.4
75.65888	0.4
93.68102	0.4
102.11555	0.4
103.46046	0.5
115.45969	0.4
157.33881	0.4
243.52463	0.5
245.16882	0.4
352.25610	0.4
393.31909	0.6
421.30945	2.3
441.33691	1.5
485.32751	100.0
486.33060	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	485.3277
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
57.27505	0.6
58.35186	0.6
61.98827	1.0
62.41253	0.6
69.22272	1.4
69.22678	2.1
85.08794	0.7
98.21907	1.4
160.84210	3.4
161.02487	1.0
181.40118	0.6
221.18842	0.6
340.12189	0.5
403.25128	1.5
485.32785	100.0
485.95053	1.8
486.33163	9.4
490.46936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31870	0.3
57.22611	0.2
70.54774	0.3
97.05779	0.2
108.09651	0.2
188.97676	0.3
254.24992	0.3
263.69507	0.3
368.16110	0.3
421.31281	0.7
463.45731	0.3
485.32764	100.0
486.33105	10.6
486.40143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3278
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
50.47025	0.2
59.01370	0.5
61.98828	0.2
69.83109	0.3
69.83424	0.6
71.05029	3.0
72.99332	0.3
73.02957	0.7
83.05007	0.6
88.21487	0.3
93.24782	0.2
99.04538	0.3
123.08217	0.3
133.02977	0.3
134.03745	0.4
134.85289	0.2
135.04543	5.0
161.02449	1.2
170.60118	0.3
172.49666	0.3
179.03517	3.9
187.88513	0.3
191.07216	0.3
202.06396	0.3
233.04581	0.3
261.07632	0.7
281.11856	3.7
305.10287	2.5
339.27020	0.3
369.27783	0.7
375.30475	0.7
377.28491	0.9
391.30145	0.6
393.27435	0.3
393.31500	1.3
403.30124	0.7
405.31476	0.3
407.29630	0.7
411.32639	0.3
419.29373	0.5
421.31094	0.6
423.32761	1.9
425.30701	2.4
434.49780	0.3
437.30630	2.6
441.33624	0.8
451.28058	0.3
453.30109	0.3
465.29977	0.5
467.31696	18.5
468.32266	1.6
485.32770	100.0
486.33105	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	485.3279
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
57.70988	0.5
61.59842	0.5
61.98856	0.7
68.00130	0.5
73.02950	1.0
82.63150	0.5
150.94341	0.5
161.02480	0.6
199.47816	0.5
281.11862	0.7
281.30240	0.5
485.32794	100.0
486.33173	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	485.3639
Annotation	Methyl pomolate
Peak:m/z	Relative Intensity
50.62431	2.5
56.32355	2.5
61.48043	2.6
70.70085	4.7
73.56887	2.6
97.60040	2.7
107.49286	2.8
119.76227	2.9
181.85800	2.8
187.81506	2.6
380.92291	2.8
439.35678	6.0
467.35129	15.3
485.29202	6.4
485.36331	100.0
486.36716	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	485.3643
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
57.63391	1.0
61.98830	1.2
71.05042	1.7
73.00426	1.1
74.90065	1.1
75.33714	1.0
82.48020	1.0
87.77713	1.1
92.97047	1.1
94.86753	1.2
97.06608	5.9
98.21885	2.7
107.62791	1.0
135.04584	1.3
154.38120	1.3
189.35556	1.2
366.45886	1.0
389.28656	2.7
391.30087	3.5
405.31580	8.3
407.33246	10.9
441.33865	8.9
451.32233	34.3
452.32397	3.0
453.33792	100.0
454.34244	9.9
471.34671	7.4
485.37289	9.6
486.36963	1.6
497.32654	6.1
503.09927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.3
71.17678	1.0
88.04053	58.8
115.40150	0.7
119.94665	0.7
130.55287	0.6
131.72070	0.7
147.08134	2.1
149.09708	1.8
161.09720	1.6
163.11301	3.5
182.92555	0.7
186.35239	0.8
187.11310	2.9
265.12207	0.8
266.61441	0.7
279.13953	1.3
280.14664	1.6
309.22363	2.8
323.41754	0.8
337.21765	100.0
338.22131	7.9
382.27499	1.0
465.31281	0.9
486.26901	8.8
487.27417	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	486.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01360	1.2
59.01386	7.9
59.70853	1.1
61.98833	7.7
63.02423	1.4
71.26154	1.2
76.36707	1.1
77.03982	4.1
85.44437	1.4
89.03976	1.4
91.04276	1.1
95.01389	1.3
95.05034	6.6
96.58524	1.2
96.96022	5.7
98.72025	1.1
98.95586	5.8
99.84098	1.4
99.92592	34.9
100.92683	2.0
100.93394	6.6
105.03477	20.1
108.02169	1.3
109.02981	2.7
112.51521	1.1
112.98873	1.2
115.92101	5.9
116.92858	4.4
118.28995	1.3
119.01404	3.2
119.05032	1.4
122.86864	1.4
123.00915	3.3
123.04530	1.9
133.02975	92.3
134.03722	5.0
135.00906	2.5
135.04558	12.9
137.02495	3.4
143.27563	1.3
145.02966	1.3
147.00900	4.1
148.01701	4.0
149.02481	1.7
150.05583	1.6
151.00377	1.6
151.04012	1.8
161.02477	6.8
163.00417	11.5
174.94835	1.5
177.01949	35.4
178.02780	5.6
179.03508	7.9
190.94476	1.5
190.99902	4.4
192.95985	2.0
202.94629	1.3
202.97911	1.2
203.95100	1.4
204.96034	2.4
206.97574	1.2
207.03014	8.1
207.94695	1.3
215.95210	36.0
216.95988	19.4
217.96823	5.5
218.97469	1.5
219.94742	14.8
220.95253	2.6
230.93930	17.6
231.94708	34.2
231.96907	2.3
232.94957	2.6
234.97064	3.0
237.96762	1.4
243.94803	4.8
244.95512	7.6
246.93443	2.3
247.94495	1.2
259.94193	5.3
260.94778	2.6
261.95908	7.7
262.96454	3.3
278.96014	3.7
289.95285	100.0
290.95978	42.3
291.96237	2.9
306.95535	8.6
307.95770	1.3
406.98785	1.9
411.99051	1.8
412.99438	2.2
424.99768	14.8
425.99896	2.2
440.99335	3.4
441.99548	1.2
468.92459	2.2
468.98648	21.0
469.99173	3.3
486.99609	1.8
487.34375	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34238	0.1
59.01390	0.3
69.72975	0.2
69.73349	0.3
79.95747	2.8
95.75215	0.1
96.96024	100.0
97.95956	0.4
98.95596	0.1
126.90472	0.2
133.02992	0.3
134.03719	0.1
135.04532	0.6
158.86771	0.1
161.02493	1.6
179.03526	0.3
197.04651	0.1
234.22536	0.1
376.53421	0.1
389.08743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06592	1.5
54.97753	1.5
56.83892	1.4
59.01390	17.0
69.87195	5.2
71.01358	1.5
72.99325	4.6
80.54173	1.5
84.99331	2.9
87.00883	18.2
96.96001	2.3
96.99345	2.4
103.00407	6.7
107.11323	1.5
109.02995	4.5
111.00916	3.8
112.98818	41.3
117.03478	5.9
130.99883	5.0
133.02982	6.6
134.02734	2.3
134.03763	72.3
135.04546	72.9
137.02502	2.7
139.00398	5.7
145.02934	2.0
147.04538	2.7
149.00932	7.2
149.06102	10.6
159.04507	1.6
160.01646	2.8
161.02466	16.7
162.03212	4.1
163.04044	9.5
173.02521	2.1
175.04013	4.6
176.04718	1.6
177.05624	4.1
178.02744	4.0
179.03510	44.6
190.02727	3.3
191.03531	7.4
191.07220	2.8
193.05084	100.0
194.05368	3.7
196.52968	1.9
205.05028	4.7
219.02997	25.4
230.02155	1.6
231.03024	2.5
233.04666	12.8
244.77243	1.4
275.02332	1.7
293.03046	21.5
295.87106	1.6
303.70151	1.6
307.04626	12.3
325.05722	20.2
372.25977	1.6
398.17273	1.8
399.17313	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	487.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
65.03983	0.4
71.01387	0.7
75.00876	1.0
79.95705	0.7
80.84571	0.4
81.33295	0.3
95.70115	0.4
96.96026	18.6
97.37126	0.4
98.22694	0.7
101.02431	0.6
105.03442	0.5
107.05039	1.0
117.03484	3.6
119.05043	24.8
120.05424	0.4
126.90484	0.9
132.02174	0.7
133.02972	11.6
134.03778	3.9
135.04543	100.0
136.04875	3.2
145.02968	14.1
145.04114	0.7
146.03296	0.5
161.02463	35.5
162.02803	1.7
163.04025	10.9
175.03975	0.6
177.05560	0.9
179.03517	72.9
180.03886	2.2
187.04027	0.6
189.61395	0.4
203.03508	0.6
217.02348	0.4
221.04616	1.2
237.06125	1.3
297.09842	1.5
307.08282	16.9
308.08667	1.2
323.07755	12.3
324.08047	0.6
326.10257	0.5
341.08835	3.4
443.13483	5.1
444.13754	0.4
487.12518	15.3
488.12973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.4
71.01395	4.7
72.99316	8.4
73.02946	0.8
79.95733	0.7
83.01392	0.9
85.02980	1.4
89.02460	1.1
96.96017	18.9
96.96616	1.2
98.21803	1.5
101.02452	2.1
107.05039	1.2
109.02959	1.6
113.02483	1.3
117.03474	17.2
119.05037	10.7
123.04549	1.4
126.90509	1.7
127.00388	2.7
132.02222	0.9
133.02975	18.6
134.03764	6.6
135.04546	100.0
136.04875	2.6
137.02490	1.3
142.31187	0.7
145.02974	44.9
146.03780	3.7
148.05258	1.0
149.06088	5.4
151.04082	1.3
159.04543	0.9
160.01762	0.8
161.02463	72.0
162.02837	2.7
163.04018	7.6
164.04823	1.3
175.03964	1.6
177.05608	11.2
178.02788	1.3
179.03514	94.0
179.06940	1.9
180.03838	2.8
187.04062	0.9
187.07693	1.3
193.05083	1.0
193.21999	0.7
197.04568	2.7
203.03613	1.6
213.09192	1.6
221.04561	15.1
221.21521	0.6
231.10237	1.4
233.04622	0.9
251.05632	20.4
252.05971	1.4
263.12952	0.8
264.06729	3.3
281.06705	24.3
289.11053	1.1
293.10342	5.7
307.08295	12.8
307.11874	1.8
308.08359	1.3
311.07401	0.7
323.07733	27.2
324.08093	1.5
325.13132	5.2
341.08798	29.8
342.09085	2.1
359.07510	1.1
443.13379	2.2
487.12088	12.8
487.25793	0.8
488.12888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1406
Annotation	Cassigerol A
Peak:m/z	Relative Intensity
50.42070	1.7
69.80360	3.4
82.69640	1.8
97.02957	1.8
98.22027	3.0
105.03494	2.0
119.01408	1.5
123.04468	1.7
124.01679	2.7
133.03000	4.3
136.82425	1.5
147.00926	2.9
148.01743	3.3
149.02505	2.2
161.02452	2.3
167.03517	3.9
177.01990	9.8
179.03542	7.9
207.02979	4.3
235.07858	1.8
237.09164	1.6
239.10786	7.7
245.09448	1.6
247.11063	2.3
251.10779	2.4
263.10779	1.7
265.08704	4.9
267.10202	11.1
268.10638	1.7
273.09311	2.3
275.10690	3.0
287.10873	2.4
297.09573	1.6
313.08783	1.5
315.10120	2.0
324.11426	2.0
325.12469	2.2
329.08212	2.1
337.12192	3.1
339.10251	4.5
341.07993	2.2
346.12100	2.3
351.10168	2.3
353.11850	2.5
354.08807	2.2
355.09393	1.8
355.13516	3.4
355.67242	1.8
363.10165	1.9
365.11887	3.8
367.09558	4.0
368.10834	2.2
369.07620	4.6
369.11514	2.4
370.12207	2.1
374.11996	1.7
379.09622	3.1
381.11386	6.0
383.13071	8.3
390.11105	2.6
399.12451	6.8
411.12442	3.6
413.14191	2.9
415.15643	4.7
425.10287	6.2
427.11920	5.5
428.08682	3.3
429.09290	2.2
429.14218	2.1
430.10574	4.9
437.10410	2.4
439.11920	4.6
440.12625	2.0
441.14069	2.2
443.15125	3.5
455.11313	12.1
457.13083	15.5
458.13290	2.3
459.14496	7.4
469.12915	8.4
487.14047	100.0
487.34351	20.3
488.14310	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72190	0.6
59.01385	11.0
60.68013	0.7
61.98826	2.3
71.01392	6.4
71.02715	0.7
71.03053	1.0
73.02950	1.0
75.38309	0.6
83.01395	0.9
85.02959	1.8
87.00896	4.4
89.02451	4.9
101.02467	4.1
109.02983	1.6
112.98819	4.4
113.02454	2.4
117.03480	22.1
118.03779	1.0
119.03609	1.0
119.05040	24.5
120.05416	0.9
125.02470	1.8
125.99557	1.4
132.05745	0.7
133.02950	2.0
133.06598	2.4
134.03769	6.8
135.04547	9.1
145.02971	100.0
146.03308	3.2
149.00911	0.8
149.06102	1.2
159.04449	1.4
160.01614	0.8
161.02490	3.9
161.04584	2.9
161.06097	7.7
163.04024	40.5
164.04344	1.7
175.04015	0.8
177.05585	3.9
179.03535	5.4
179.05627	3.1
187.04018	2.2
191.03548	0.9
193.05078	13.7
205.05046	11.4
219.03059	3.0
224.06264	0.8
233.04660	1.2
235.06129	5.4
265.07159	8.7
293.03043	2.6
307.04794	1.8
307.08228	1.7
325.05682	3.1
325.09293	2.5
341.10846	1.2
487.14618	51.6
488.14993	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01386	6.8
69.13035	0.5
69.13379	3.6
71.01386	6.6
71.15562	0.5
72.99313	1.1
73.02927	0.5
83.01389	0.7
85.02949	1.2
87.00898	3.6
89.02454	4.7
93.03471	1.1
94.82112	0.5
96.96017	1.7
97.02996	0.7
97.45715	0.5
98.22675	1.0
99.68713	0.5
99.92616	0.5
101.02451	3.6
105.01992	0.5
109.02949	0.7
112.98807	0.7
113.02448	2.7
113.09083	0.5
116.45475	0.6
117.03477	22.5
119.03608	1.2
119.05038	30.4
120.05377	0.9
121.02969	0.9
123.04636	0.8
125.56331	0.5
132.05795	0.5
133.06587	2.1
134.03757	0.7
135.04550	4.0
138.89496	0.5
145.02971	100.0
146.03287	3.0
151.03989	0.6
154.10173	0.5
158.97849	0.5
159.04503	0.6
161.02428	1.3
161.04718	0.8
161.06085	5.3
163.04030	47.0
164.04369	1.5
177.05611	2.9
179.03482	2.4
179.05704	0.6
187.04097	0.7
193.05090	1.0
197.04517	0.7
198.58746	0.5
205.05057	7.7
208.08266	0.6
210.28928	0.6
229.01707	0.8
235.06075	4.2
246.15182	0.6
265.07184	9.0
296.49243	0.5
307.08282	4.0
321.04166	1.1
325.05869	0.6
325.09256	2.9
339.05157	1.0
406.12048	0.5
487.14648	38.9
488.14871	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	487.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
59.01389	6.2
65.11006	0.5
71.01389	2.6
71.43088	0.5
72.99297	1.5
80.85855	0.5
83.01356	0.5
84.28298	0.5
85.02958	0.8
93.03459	0.5
96.96024	1.1
101.02447	1.3
117.03482	25.0
119.05040	12.8
121.02995	1.4
123.04523	0.6
126.90450	1.5
127.00378	0.5
133.02980	1.4
134.03769	1.0
135.04541	11.0
136.04750	0.4
137.02492	0.4
137.10849	0.4
145.02971	100.0
146.03778	15.9
147.04492	1.1
149.02472	0.4
159.04597	0.6
161.02464	6.2
161.04715	1.0
161.06076	6.0
163.04031	11.6
164.04807	10.4
179.03519	6.4
179.07153	16.0
180.07486	0.6
187.04086	1.3
197.04575	1.5
205.05235	0.5
247.06125	1.2
307.08273	47.1
308.08719	2.2
316.75439	0.5
353.06604	0.5
353.10538	0.6
359.07748	0.8
487.16232	19.5
487.25305	2.3
488.16455	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	487.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.9
71.01379	5.3
73.02950	1.7
89.02442	3.0
93.03460	17.1
96.95988	1.4
101.02457	5.3
109.02974	1.4
113.02442	2.8
126.90444	3.2
135.04572	3.2
136.01685	1.7
137.02466	62.3
151.03911	1.9
161.02466	3.3
179.03493	6.9
202.03844	1.5
218.84401	1.5
239.05626	6.5
281.06598	3.6
382.55817	1.5
407.33139	3.4
425.34244	3.8
451.19788	100.0
452.20041	9.0
457.33179	2.1
487.34415	28.1
500.00751	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	487.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	0.4
59.01383	2.8
61.02912	0.3
67.03001	0.5
71.01391	1.6
72.00900	0.4
74.02481	1.7
82.02990	1.0
83.03375	0.3
84.04549	3.1
86.02489	0.3
88.36735	0.3
89.02459	2.1
97.04054	0.7
98.02492	0.7
98.16994	0.2
99.05655	0.6
101.02466	0.7
101.07222	1.7
104.36478	0.2
109.04089	5.8
110.04395	0.3
113.02444	0.7
119.03530	0.7
125.03588	2.9
127.05153	18.8
128.03554	6.5
137.91869	0.3
142.03894	0.3
143.03537	0.4
145.06206	100.0
146.04634	0.6
146.06549	1.8
179.05632	1.1
306.67789	0.3
341.10873	4.8
342.11240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81163	0.3
56.92138	0.3
57.03455	1.1
58.37796	0.3
59.01386	8.2
66.81850	0.3
68.45510	0.3
71.01398	1.8
72.14956	0.3
72.99317	0.9
73.02959	0.7
81.03471	0.5
83.01405	0.5
85.02974	1.8
92.47791	0.3
97.02942	0.4
98.22643	0.6
99.04524	1.1
101.02440	1.0
113.02489	0.6
114.85368	0.3
125.02462	0.5
126.90420	1.1
132.02173	0.4
133.02971	1.4
134.03737	0.6
135.04541	4.4
136.24878	0.3
137.02457	6.0
138.02838	0.5
161.02473	4.4
162.02791	0.4
170.19939	0.3
179.03513	1.5
196.08942	2.6
198.06845	0.3
207.11781	1.2
209.13400	5.0
222.06903	1.7
223.07640	6.8
224.08372	5.3
225.12871	4.4
235.11272	1.0
236.08669	0.5
237.09222	3.7
238.09940	0.6
239.11917	1.0
249.09183	0.7
249.66656	0.4
251.10791	22.1
252.11050	2.0
253.12364	50.2
254.12691	3.1
263.10785	7.2
264.11111	0.4
265.12350	15.2
266.12604	1.0
267.06476	0.9
279.10367	0.7
281.11865	41.4
282.12415	5.9
283.13422	100.0
284.13760	6.5
427.18033	0.5
487.19794	41.3
487.34427	10.9
488.20160	4.2
488.34717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74178	0.3
55.01881	1.7
57.03448	1.8
58.00595	0.4
59.01386	100.0
60.01722	0.8
65.75249	0.3
69.03459	0.5
69.69839	0.3
71.01390	27.2
71.28571	0.4
72.99319	1.3
73.02954	9.6
75.00883	0.4
83.01393	4.8
85.02961	12.4
87.00887	1.7
89.02452	8.8
93.03484	1.3
95.01417	1.6
96.95480	0.4
96.96055	1.4
97.02974	0.7
98.95642	0.5
99.00883	3.4
101.02454	17.6
101.79174	0.4
109.02971	0.6
111.00927	0.6
113.02467	10.2
119.03506	1.6
125.02481	1.2
126.90492	0.5
129.01974	0.5
131.03519	5.7
133.03023	0.6
135.04509	0.6
136.98042	0.4
137.02480	4.3
141.02005	0.4
143.03555	1.3
149.04585	2.6
151.11378	0.5
159.03026	1.1
161.02522	0.7
161.04591	6.6
161.05875	0.5
179.03537	0.5
191.05656	6.0
203.05713	0.5
224.86296	0.4
233.06755	1.3
289.95361	0.4
295.06213	0.3
295.15683	0.5
313.16611	22.3
314.17169	1.3
321.04025	0.4
321.27155	0.3
355.17862	2.3
387.94754	0.3
399.28519	0.3
401.58020	0.4
445.20844	12.7
446.21384	0.8
449.18103	3.4
451.19247	1.0
487.21899	4.6
488.22464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22072	0.4
54.38264	0.4
54.49039	0.4
55.01883	1.4
57.03449	1.3
59.01384	100.0
60.01751	0.6
69.24134	2.3
71.01389	25.4
72.01726	0.5
72.99304	2.0
73.02953	7.7
83.01398	4.4
85.02956	12.9
87.00900	1.5
89.02450	9.0
93.03475	1.0
95.01416	1.8
96.96031	1.4
97.02956	0.7
98.95624	1.1
99.00877	2.5
101.02450	16.2
102.02772	0.4
109.02979	1.2
111.00948	0.8
113.02462	9.9
119.03511	2.2
123.04584	0.9
125.02488	1.2
126.90554	0.6
131.03516	5.4
133.03061	0.5
135.04546	2.2
137.02457	3.3
143.03564	0.7
149.04530	2.0
159.03012	1.4
161.02557	0.5
161.04573	5.1
179.03551	1.4
185.02417	0.6
191.05643	4.6
191.75699	0.4
193.01604	0.5
197.04597	1.3
226.00021	0.4
233.06767	1.7
278.49469	0.4
289.95187	0.6
293.04556	0.5
295.15643	0.5
313.16583	23.6
314.17114	1.3
321.04221	1.2
339.05136	1.0
355.17648	2.9
363.46982	0.4
390.72006	0.5
427.19586	0.4
445.20804	14.2
446.21448	1.3
449.18448	1.5
451.19263	0.6
487.21875	5.3
488.22858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01394	11.1
71.40838	0.6
72.99308	4.4
73.02952	15.1
80.90345	0.8
83.01387	3.9
85.02940	3.7
87.00883	0.9
89.02442	5.1
94.98107	2.1
97.02989	0.7
101.02454	9.7
109.03002	0.9
113.02491	3.6
118.08121	0.7
119.03535	3.0
133.02992	2.9
134.03784	1.1
135.04550	9.0
136.54572	0.6
145.02872	0.8
147.04524	0.7
149.02469	1.5
161.02458	9.9
161.04654	1.8
162.03041	1.2
179.03590	2.5
179.10803	2.8
180.11162	2.1
180.15839	0.6
181.11462	0.7
197.04572	1.0
246.04198	0.8
252.71773	0.6
263.03525	0.6
265.18240	1.8
293.04697	2.8
293.10309	2.4
317.11551	0.7
390.67361	0.6
427.23459	2.6
445.24377	4.9
446.12280	0.7
469.24652	5.2
487.25598	64.9
487.33307	3.8
488.25861	6.8
488.32632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01394	11.1
71.40838	0.6
72.99308	4.4
73.02952	15.1
80.90345	0.8
83.01387	3.9
85.02940	3.7
87.00883	0.9
89.02442	5.1
94.98107	2.1
97.02989	0.7
101.02454	9.7
109.03002	0.9
113.02491	3.6
118.08121	0.7
119.03535	3.0
133.02992	2.9
134.03784	1.1
135.04550	9.0
136.54572	0.6
145.02872	0.8
147.04524	0.7
149.02469	1.5
161.02458	9.9
161.04654	1.8
162.03041	1.2
179.03590	2.5
179.10803	2.8
180.11162	2.1
180.15839	0.6
181.11462	0.7
197.04572	1.0
246.04198	0.8
252.71773	0.6
263.03525	0.6
265.18240	1.8
293.04697	2.8
293.10309	2.4
317.11551	0.7
390.67361	0.6
427.23459	2.6
445.24377	4.9
446.12280	0.7
469.24652	5.2
487.25598	64.9
487.33307	3.8
488.25861	6.8
488.32632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98447	1.2
54.35227	1.5
60.99294	1.6
63.24986	1.4
134.03717	1.7
135.04526	1.5
138.35933	1.5
161.02435	1.6
178.31567	1.3
200.35583	1.5
208.03827	1.5
242.52139	1.7
393.31683	4.7
405.31711	1.7
487.34344	100.0
488.34869	13.8
506.49426	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79751	0.7
69.14380	4.4
71.05046	0.8
88.30135	0.7
96.43987	0.7
96.74594	0.7
127.27207	0.8
140.00970	0.6
161.02473	1.5
161.50525	0.8
161.51788	0.7
210.08394	0.7
284.20215	0.8
423.32993	1.3
467.32156	0.8
469.33374	16.4
470.33627	1.5
487.34348	100.0
488.34714	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	487.3448
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
52.21457	0.3
59.01379	1.4
60.92194	0.3
69.87439	0.3
72.99307	1.1
89.48931	0.4
123.12394	0.3
126.90460	0.8
133.02950	1.2
134.03343	0.3
135.04518	1.5
137.02390	0.4
145.36528	0.3
152.59300	0.3
156.43364	0.4
161.02467	3.3
162.02805	1.2
163.03061	0.8
164.83626	0.4
179.03546	0.5
205.59746	0.4
335.05612	0.6
353.06735	0.5
404.48813	0.4
409.31372	1.7
449.18344	0.5
487.34344	100.0
488.27612	0.6
488.34683	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	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16930	1.0
61.98841	3.0
70.21909	3.0
81.41744	1.0
92.40206	1.2
107.48949	1.0
134.51862	1.0
135.04533	1.6
161.02458	2.2
179.03558	1.0
206.64186	1.1
387.95770	1.1
487.34402	100.0
488.34573	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	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50745	0.2
57.03449	0.4
58.00593	0.5
59.01389	1.8
60.99316	1.9
66.74744	0.2
69.03466	0.4
71.01404	1.0
71.84167	0.2
73.02946	0.4
76.82811	0.2
83.01395	0.4
85.02966	0.7
87.80591	0.2
89.02451	0.3
95.01366	0.3
101.02444	0.7
113.02460	1.1
113.82531	0.2
126.90484	0.3
133.02988	0.3
135.04555	0.4
147.04593	0.3
161.02466	0.5
174.77031	0.2
178.74814	0.2
179.03418	0.3
203.36626	0.2
283.13431	0.5
299.32150	0.2
337.25317	0.3
343.28473	1.3
349.25339	0.4
351.26978	0.7
369.28027	0.7
377.28491	1.3
393.26950	0.2
393.31613	2.2
401.26514	0.3
405.31915	0.4
407.29218	0.3
409.30435	0.2
412.96051	0.2
423.32877	3.2
424.33130	0.4
441.33749	0.3
469.33209	0.9
487.34378	100.0
488.34738	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	487.3439
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
58.02846	1.1
58.51786	1.2
69.74371	2.5
69.74736	2.9
71.00724	1.2
104.26058	1.2
115.66853	1.3
198.98590	1.4
236.77063	1.2
267.10309	2.1
384.24515	1.2
425.10309	1.7
433.64114	1.3
443.35410	1.7
457.12994	6.7
487.14203	16.4
487.34271	100.0
488.34656	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	487.3434
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
63.07111	0.3
69.14788	0.6
69.15196	1.1
208.96486	0.3
286.87195	0.3
307.40173	0.2
487.34354	100.0
488.34677	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	487.3432
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
56.75543	0.3
59.51157	0.4
69.57993	0.9
143.47696	0.4
210.87526	0.4
487.34351	100.0
488.34698	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	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39321	0.6
54.96566	0.6
58.00601	1.1
70.26952	0.7
70.27287	1.3
71.05030	1.9
72.41800	0.5
138.44237	0.6
152.09103	0.7
202.48875	0.7
391.29773	0.7
393.31546	1.2
405.60220	0.6
421.31390	0.9
423.32620	1.3
427.32156	1.5
437.31021	1.1
446.31189	0.7
467.31793	3.0
469.33270	14.4
470.33316	1.1
487.34354	100.0
488.34689	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	487.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76755	0.2
81.60460	0.2
91.94238	0.2
92.03101	0.3
95.21722	0.2
98.22625	0.5
118.73619	0.2
170.29784	0.2
373.98257	0.2
421.31348	0.3
487.34351	100.0
488.34686	11.3
495.36490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3431
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.20550	0.1
56.28744	0.1
57.03460	0.1
59.01374	0.3
69.18774	0.2
69.19186	0.2
71.01367	0.2
73.02965	0.2
83.01395	0.1
85.02946	0.2
98.21951	0.1
101.02428	0.1
106.37251	0.1
113.02486	0.1
117.26092	0.1
148.32967	0.1
161.02415	0.3
161.04526	0.1
195.43501	0.1
255.11240	0.1
263.84143	0.1
343.28589	0.1
363.26959	0.2
375.27435	0.1
377.28516	0.2
379.30020	0.5
391.30179	0.3
393.31665	0.3
401.28860	0.1
403.30087	0.1
409.31195	1.4
410.31799	0.1
411.67996	0.1
421.31061	0.4
422.31308	0.1
473.32709	0.1
487.34317	100.0
488.34653	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	487.3432
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
61.22703	0.2
63.34492	0.2
69.07384	1.8
79.99926	0.2
290.87671	0.2
329.72604	0.3
373.22949	0.3
405.33084	0.2
409.31113	0.8
487.34332	100.0
488.34671	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	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09959	0.9
59.01374	1.2
67.76333	0.9
71.48982	0.9
124.67463	1.0
131.34464	1.0
139.10066	1.0
450.81509	1.1
469.32758	1.3
487.18704	5.4
487.34320	100.0
488.34714	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	488.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13496	0.3
50.67517	0.3
55.73414	0.3
56.57086	0.3
57.97550	0.7
59.01381	3.2
69.23026	0.8
69.23442	1.4
71.01390	0.8
72.99311	3.4
81.72193	0.3
85.26954	0.3
89.02461	0.8
89.56093	0.3
101.02374	0.4
105.03455	0.4
119.03481	0.3
128.03537	1.1
128.90182	0.4
132.02177	1.4
133.02975	26.5
134.03323	0.7
135.03523	0.4
135.04546	6.8
136.04865	0.9
143.04669	1.2
144.04521	0.5
151.04030	0.4
160.01857	0.4
160.04041	0.6
161.02464	100.0
162.02779	3.6
163.04019	0.3
171.10280	0.4
172.04053	2.0
173.04839	0.6
177.01942	0.6
177.99811	0.4
178.03250	0.3
179.00406	1.1
179.03503	3.8
180.03781	0.5
189.99731	1.0
192.01305	0.7
193.02069	1.0
197.04601	0.4
201.11404	0.6
205.02089	1.2
206.02814	3.9
208.04405	0.4
250.01826	4.7
264.03412	0.6
267.02237	0.4
272.08893	0.5
282.04440	4.9
343.02957	0.8
347.42307	0.4
444.07596	1.1
489.27075	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	488.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13491	0.6
53.14793	0.7
59.01377	1.5
61.98838	100.0
69.37124	1.2
69.37531	2.1
75.37743	0.6
98.22623	1.0
135.04544	0.6
137.74736	0.6
146.03320	0.8
164.04388	0.7
244.93082	0.7
245.25511	0.6
511.91086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	5.0
59.01385	29.3
60.07425	4.2
61.03401	4.3
68.14243	4.0
71.01379	47.6
71.24641	5.6
72.99317	8.1
73.02951	16.2
83.01395	8.5
85.02966	18.7
87.00861	4.0
89.02480	9.8
93.03478	13.8
96.96024	6.9
99.00912	5.0
101.02453	41.5
107.05048	6.3
109.02963	13.5
113.02443	23.5
119.05024	5.1
123.04556	11.3
125.02466	5.1
131.03519	50.4
133.02945	17.2
135.04538	20.1
137.02483	27.8
138.02806	8.5
143.03557	5.1
149.02502	6.7
161.02461	60.4
161.04509	24.5
179.03477	6.3
185.02422	9.9
197.04510	8.9
247.85179	4.6
263.03369	7.0
267.06436	6.9
275.70859	4.4
293.04541	15.4
295.06033	6.6
306.04926	10.5
311.05682	10.8
313.16608	100.0
314.16876	8.2
321.04153	6.4
445.20883	49.7
450.18442	8.5
451.19522	12.8
452.19946	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	489.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33175	1.4
69.10514	10.1
77.03969	1.9
87.21931	1.4
93.03474	3.2
95.01413	1.8
105.03444	2.6
108.02203	2.4
109.02960	54.5
121.02997	8.3
123.04549	21.4
133.02957	3.3
134.65569	1.5
135.04524	2.4
139.04015	1.9
145.02887	2.2
149.02458	47.8
150.03201	4.8
151.04033	17.8
154.87059	1.5
157.02911	1.8
159.04486	2.7
174.03189	1.5
175.04022	2.8
177.01971	9.8
179.03656	2.0
185.02475	27.0
186.03107	2.3
191.05013	1.8
192.47078	1.6
193.06606	6.4
195.04510	2.4
197.04536	1.8
207.04501	3.2
208.05338	2.0
209.06137	6.6
211.07797	2.5
213.05635	1.7
219.04553	5.3
220.05325	3.8
221.06114	11.4
222.06828	2.4
235.03952	2.3
237.05605	14.7
238.06226	2.8
239.07101	4.8
247.03951	9.3
248.04739	8.0
249.05666	9.3
250.06396	11.0
263.03561	5.6
264.04251	7.0
265.05017	14.1
266.05920	5.6
267.06628	27.3
268.06958	2.0
275.03537	2.4
276.04309	4.9
277.05035	4.3
280.03830	2.4
291.03033	7.1
291.06641	15.3
292.03885	2.6
292.07294	2.1
293.04590	100.0
294.05127	7.3
295.06122	20.3
296.06458	2.7
311.05640	43.4
312.06152	2.4
321.04010	5.2
322.04520	2.2
337.03534	2.5
339.05078	7.2
355.04620	2.4
356.77548	1.5
401.10275	7.1
445.09268	29.7
446.09631	2.4
488.31039	1.9
489.08163	2.6
489.30612	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.4
69.57323	3.7
95.05011	2.0
96.96005	2.0
98.22571	2.2
103.09641	1.0
105.03465	7.3
109.02948	3.6
121.02965	1.7
122.03741	2.7
123.04562	6.1
133.02960	18.5
135.04549	1.9
149.02426	3.0
150.03239	65.2
151.04041	7.5
161.02443	5.4
177.01932	7.9
179.03624	1.6
190.02750	2.5
193.06519	2.1
195.06810	1.2
209.06114	9.3
210.06837	5.1
211.07657	63.3
212.07983	2.4
219.04623	1.7
221.06137	1.6
235.04042	2.3
237.05620	13.6
238.06168	1.4
239.07152	5.6
247.04001	2.0
248.04665	2.0
255.06639	100.0
256.06906	6.7
265.05087	8.7
266.05411	1.5
267.06516	3.4
275.03333	1.3
283.06070	2.2
291.03049	1.4
293.04584	10.1
294.04950	1.4
295.06171	2.1
309.04041	3.3
311.05609	13.7
312.06027	1.4
320.85361	1.4
389.10327	42.9
390.10461	2.9
433.09390	2.3
445.09341	4.9
446.09604	1.2
449.10263	1.3
489.08334	3.1
489.15784	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	489.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14790	0.2
59.01384	1.3
59.49509	0.2
69.82561	0.6
71.14822	0.2
72.99319	8.1
83.65234	0.2
89.03987	0.6
91.05518	0.4
93.03476	0.3
93.42043	0.2
105.03451	0.3
106.04266	0.2
107.05049	1.8
108.02225	0.3
109.02984	0.4
112.86002	0.2
117.03468	1.7
119.01412	0.6
121.02914	0.5
127.83772	0.2
128.90152	0.3
133.03004	2.3
134.03766	7.3
135.04544	100.0
136.04874	2.6
147.00894	1.4
161.02473	4.4
165.07106	2.3
167.04982	1.0
169.06648	0.7
174.03317	0.3
177.01979	0.6
179.03523	6.3
180.03931	0.2
180.05858	0.9
181.06610	2.7
182.03809	0.3
182.06833	0.2
193.06604	5.8
194.03758	0.5
194.07080	0.3
195.04543	0.5
197.06093	1.2
208.05318	0.9
209.06113	5.6
210.03210	0.9
210.06425	0.3
219.04518	2.8
220.05212	0.4
221.06099	0.7
222.03275	1.2
224.04822	0.3
225.05598	1.4
227.07141	0.4
235.04010	0.6
236.04861	0.8
237.05589	11.8
238.06027	0.4
253.05109	0.4
265.05112	0.4
284.03391	0.2
309.04095	11.1
310.04453	0.6
311.05579	0.2
327.05142	20.5
328.05569	1.4
387.08746	0.3
399.09018	0.3
427.08450	0.5
488.34695	4.8
489.08493	0.4
489.35181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26173	0.3
52.76050	0.3
53.66164	0.3
59.01384	6.9
60.16135	0.3
60.36294	0.3
61.98808	0.3
69.07887	1.5
71.01366	0.6
72.99288	1.3
80.66843	0.3
89.02454	0.4
89.14694	0.2
89.72104	0.2
93.12130	0.2
97.80000	0.3
101.02440	0.3
107.05032	0.5
123.04524	0.3
128.90157	0.4
133.02879	0.4
134.03729	1.0
135.04543	14.8
136.04886	0.4
151.03972	0.5
160.56235	0.3
161.02440	1.1
167.04993	0.5
171.79156	0.3
179.03500	1.5
180.05870	0.5
181.06595	0.3
191.05029	0.9
193.06615	2.7
195.04492	0.6
197.04492	0.4
202.71880	0.3
209.05994	1.4
219.04514	6.6
220.05112	0.4
220.58063	0.3
221.06049	0.6
231.59164	0.3
235.04031	1.8
236.04761	1.8
237.05524	1.3
247.03996	4.4
248.04784	10.9
249.05104	0.5
249.87323	0.3
263.03452	1.2
264.04269	6.9
264.06900	0.6
265.05072	100.0
266.05408	6.0
283.13235	0.3
291.03046	1.7
309.04074	80.1
310.04440	5.6
345.57849	0.4
429.24905	0.4
489.08344	5.1
489.14825	0.3
489.20642	0.3
489.27353	1.2
490.08667	0.5
495.55676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50536	0.5
59.01387	4.9
61.98808	0.8
63.41852	0.5
65.10651	0.5
71.01380	1.2
71.43752	0.5
72.99316	6.7
73.02977	0.7
89.03967	0.9
107.05041	2.1
109.02991	0.7
117.03493	1.6
121.03006	1.2
128.90193	1.5
133.02968	3.5
134.03781	5.9
135.04549	100.0
136.04865	2.1
136.07765	0.6
136.51190	0.6
144.39276	0.5
147.00867	1.0
149.02458	1.0
161.02451	7.2
162.02780	0.7
165.07149	1.9
167.05136	0.8
169.06677	0.8
177.01994	1.1
179.03514	8.3
181.06624	1.9
181.79349	0.5
193.05002	0.9
193.06596	4.4
208.05380	0.9
209.06110	5.2
210.03210	0.7
219.04588	2.5
222.03175	0.8
222.29924	0.7
225.05597	1.3
237.05597	10.0
254.06006	0.5
263.10571	0.8
309.04050	10.0
327.05145	16.5
328.05286	0.7
373.89258	0.8
427.08401	0.8
427.31854	0.7
429.41556	0.6
447.25818	0.7
471.31522	1.7
488.34555	2.9
489.26718	0.8
489.32391	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	489.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90261	0.6
56.36919	0.7
59.01381	4.0
71.01386	3.8
72.99334	0.9
83.01334	0.6
83.17114	0.7
85.02924	0.8
87.00885	23.0
92.02695	2.0
93.03469	100.0
94.03822	2.9
95.01382	1.3
101.02462	1.1
109.02988	3.9
113.02427	0.9
119.05048	9.7
120.05395	0.8
121.02983	1.5
122.03745	0.7
123.04532	2.2
133.02960	1.2
135.04539	4.4
136.01694	2.0
137.02458	88.0
137.06099	2.3
138.02805	2.2
145.03021	1.3
149.02452	2.7
151.02856	1.3
151.04034	21.6
152.04402	0.8
161.02473	5.5
163.04022	67.4
164.04369	2.3
177.05576	20.2
178.05911	1.0
179.03520	57.5
180.03871	2.1
185.02490	1.1
193.30913	0.7
205.05083	1.8
207.02841	0.8
237.05516	0.9
239.05608	6.2
263.03436	1.4
265.05066	1.2
266.05731	0.8
267.03168	0.9
267.06683	2.0
281.06763	2.5
291.03128	1.3
293.00854	1.8
293.04541	3.9
295.06299	1.1
311.02228	1.0
311.05728	2.6
401.12430	4.2
419.13531	45.2
420.13791	4.1
430.07211	0.8
445.09366	1.2
489.14267	21.0
490.14337	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02394	0.6
59.01122	1.0
59.01385	11.0
61.74448	0.5
69.20374	2.2
69.20773	1.2
71.01384	5.7
73.02937	0.9
76.40198	0.5
83.48515	0.5
85.02959	2.3
89.02441	5.2
89.26260	0.5
93.03474	0.9
101.02453	5.2
106.49349	0.6
113.02460	2.2
117.03482	25.1
119.03571	1.6
119.05041	27.7
120.05427	0.7
121.02958	0.8
123.04530	0.9
132.05838	0.6
133.02969	2.4
133.06609	2.5
135.04520	0.8
145.02969	100.0
146.03293	4.0
150.03226	7.1
151.03989	1.0
161.02501	1.8
161.04724	0.8
161.06117	7.9
163.04033	50.1
163.06177	2.3
164.04361	1.3
177.01920	1.1
177.05580	4.3
179.03456	0.8
181.07133	3.0
182.87074	0.6
200.23444	0.5
205.05098	10.3
205.07021	1.1
209.06105	0.9
210.06877	0.7
211.07663	5.3
235.06160	3.3
237.05595	1.5
255.06662	8.4
256.06982	0.7
265.07285	7.0
306.38782	0.6
307.08215	1.2
311.05737	0.8
325.11636	1.2
343.12430	1.6
389.10287	2.8
445.09073	0.7
489.16177	56.3
490.16479	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	489.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27986	0.6
57.44429	0.6
59.01388	13.8
71.01382	4.9
72.99326	1.2
73.02966	1.7
73.29013	0.6
74.64236	0.8
83.01375	0.8
85.02964	1.7
87.00915	1.0
89.02460	3.3
89.03991	0.6
89.98248	0.7
101.02441	3.6
105.03484	1.2
112.98819	6.0
113.02473	2.2
117.03498	5.1
119.03539	1.4
119.05043	7.2
121.02969	2.6
132.02179	1.9
133.02977	32.5
133.06558	0.9
134.03799	4.1
135.04552	15.8
136.01686	1.3
136.04907	0.6
136.38060	0.6
145.02962	10.2
149.06116	1.7
150.03275	2.9
151.04013	2.6
160.01674	1.0
161.02464	100.0
162.02789	3.6
163.04031	6.8
165.07721	3.0
175.04007	2.1
177.02036	0.7
177.05644	1.3
179.03514	9.8
186.68681	0.7
193.05078	1.9
203.03558	2.6
205.05103	1.2
211.07756	1.1
215.42751	0.6
221.04581	1.8
233.04584	1.9
237.05496	0.9
237.92834	0.6
255.06596	4.2
260.78415	0.6
265.04922	1.1
265.07455	0.8
277.03458	3.9
278.34494	0.6
281.04187	0.7
281.06897	1.3
293.04547	0.8
307.04568	2.1
311.05652	1.7
341.08459	0.8
389.10339	1.3
437.51773	0.8
489.16177	81.5
490.16547	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	489.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69413	0.8
59.01382	32.4
64.58653	0.8
69.33302	1.8
69.33706	3.6
71.01395	10.9
72.99316	2.6
73.02952	2.5
85.02967	2.7
87.00871	1.8
87.81289	1.0
89.02451	9.9
89.03970	1.1
98.22713	1.7
101.02456	8.1
112.98818	3.0
113.02473	4.1
117.03455	2.5
119.03497	2.4
119.05025	2.8
120.71901	1.0
132.02193	20.2
133.02962	3.3
133.05074	1.6
134.03755	56.0
135.04520	2.6
136.01646	1.2
145.03090	1.1
147.04575	3.1
148.05257	2.4
149.06084	8.9
151.04041	4.7
151.06114	5.4
160.01674	85.9
161.02254	2.8
161.04614	1.6
163.04008	1.8
173.06181	1.7
175.04019	100.0
175.38380	0.9
176.04770	8.7
177.01924	1.1
178.02660	2.2
191.07150	8.7
192.04245	1.0
193.05072	74.6
194.05391	1.9
203.03490	2.6
207.06604	4.9
211.06035	1.3
220.03859	1.7
233.04396	1.1
233.40741	1.0
235.06122	28.8
236.06665	1.2
255.03404	0.9
265.07214	4.2
277.03598	1.5
295.08041	7.2
307.04529	1.6
313.11505	1.3
328.10385	5.7
337.09341	1.9
355.10229	1.8
455.62585	1.2
489.16174	92.1
490.16504	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	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14703	1.4
56.92472	1.2
57.03444	2.6
57.98656	1.1
59.01384	54.6
66.17989	1.2
70.49936	1.6
71.01387	15.8
72.99297	2.4
73.02960	6.4
83.01404	1.4
85.02947	5.3
87.00860	3.9
89.02445	9.6
89.03951	1.2
91.01891	1.6
93.03454	2.1
95.01392	1.6
96.96016	5.9
99.00921	1.2
99.04510	2.5
101.02469	10.1
105.03457	1.6
107.05003	1.2
109.02975	3.4
112.98844	4.1
113.02470	6.4
117.03484	3.2
119.01381	5.5
119.03483	3.6
119.05022	2.4
121.02966	5.8
121.05119	3.3
123.04527	2.0
133.02943	5.6
134.03726	4.8
135.04539	10.7
145.02948	2.1
147.00870	3.0
147.04498	8.1
149.01178	1.9
149.02464	25.1
150.03293	6.6
151.04068	2.7
159.03111	1.1
159.04550	1.5
160.01572	1.3
161.02451	3.5
161.04578	3.1
163.04004	4.8
164.04791	23.4
175.00383	37.0
175.04057	3.2
176.00711	2.0
177.01956	2.7
179.03519	1.5
179.07166	3.0
189.01958	1.3
190.02740	98.4
190.26289	1.2
191.03169	4.8
193.01381	1.3
193.05086	3.2
205.05080	100.0
206.05493	4.0
207.02922	1.3
209.04323	1.2
210.06876	1.6
211.07751	6.3
221.08195	1.8
223.06116	50.6
237.05612	4.3
238.06314	1.5
239.07260	2.5
253.05132	3.2
255.06630	9.2
263.03549	1.2
265.04855	2.7
265.07254	5.3
267.06573	3.5
267.16022	3.2
269.08160	2.7
281.04590	2.8
285.16983	1.7
291.03192	1.4
293.04678	3.8
309.03940	6.1
311.05624	3.5
330.04349	1.3
337.03754	1.8
361.60623	1.3
389.10278	2.5
401.10620	1.3
429.21375	7.8
447.22314	1.6
467.37643	1.3
471.53284	1.3
474.13687	2.1
489.16205	94.7
489.22864	4.0
490.16574	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	489.1926
Annotation	Piperaduncin A
Peak:m/z	Relative Intensity
60.84892	0.4
69.61643	1.0
81.03480	0.7
89.03978	1.1
98.22552	0.9
100.25946	0.3
104.02717	0.4
105.03507	1.9
107.18500	0.5
109.02986	1.1
119.01359	0.7
124.01662	1.0
125.02502	0.5
133.02989	3.6
146.84818	0.4
147.00883	0.5
148.01691	2.3
148.02724	0.4
149.02478	2.8
151.28607	0.4
161.02423	0.5
167.03479	1.3
170.50990	0.4
175.00296	0.5
177.01956	17.9
178.02260	0.7
179.03522	2.6
189.01932	1.0
190.02742	0.6
193.05246	0.9
207.03058	3.9
208.03760	2.4
209.04565	1.6
211.07686	0.5
220.03802	0.4
221.04620	0.4
227.10779	0.8
251.10678	0.6
267.13919	2.4
277.12387	0.6
281.15457	1.6
281.67206	0.4
288.11429	0.5
291.13797	0.6
293.15591	0.5
299.17978	0.4
301.12189	0.5
302.13049	0.5
303.13892	1.4
306.12622	0.9
315.10318	1.1
319.13321	0.6
321.15106	0.7
330.12665	1.3
331.09940	0.5
331.13437	2.5
341.15521	0.5
343.09763	0.6
345.11145	0.7
346.12201	0.6
347.12805	2.5
353.15521	0.6
355.09512	0.6
357.11615	0.5
358.12073	0.4
359.12985	0.6
361.14246	0.9
362.15329	3.9
363.12134	0.8
369.15082	1.8
370.15421	0.9
371.09091	1.1
375.12405	1.6
378.14691	2.4
379.13885	0.6
383.12845	0.7
385.18384	0.7
386.11823	0.5
387.12305	2.9
389.14258	0.6
390.10522	0.7
390.15137	2.1
391.11725	0.9
395.16522	0.5
397.14655	5.4
398.15247	2.9
399.08298	0.8
399.12537	0.5
406.14212	3.4
413.17603	1.8
414.10477	2.1
415.15579	1.2
417.13419	1.0
418.14102	1.0
428.16476	2.5
429.17093	4.9
430.17596	0.7
431.11487	1.2
434.13705	2.9
439.15359	0.4
441.14014	0.7
442.14398	0.6
443.18863	0.5
445.12790	1.3
446.13660	6.4
447.14044	0.5
456.15851	2.0
457.16620	29.3
458.16907	3.5
461.19766	0.7
471.18158	1.1
489.19241	100.0
490.19580	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	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01384	100.0
60.01719	1.0
61.98864	0.6
69.06109	2.3
69.06534	1.8
71.01395	4.2
71.48169	0.5
72.99317	1.9
73.02959	2.1
75.30566	0.5
83.05053	2.1
84.80227	0.6
84.99332	0.7
85.02984	1.8
87.00887	1.7
89.02484	1.7
97.92875	0.5
99.04572	1.1
101.02468	2.1
109.02977	1.3
112.51484	0.5
112.98836	4.9
113.02505	2.5
117.03509	1.5
119.05070	2.2
121.02969	2.9
122.05275	0.6
123.04524	0.7
123.08163	0.6
125.02428	0.5
132.02217	0.7
133.03004	2.0
134.03746	4.7
135.04555	2.7
136.04915	0.6
145.03017	2.4
146.03401	0.5
147.04614	0.7
149.06010	0.7
150.03305	1.9
151.04056	1.7
152.88657	0.5
160.01697	3.5
161.02536	2.6
161.04567	4.4
163.04031	1.8
175.04019	5.5
177.02010	0.8
177.05580	0.6
179.03590	0.9
181.05080	0.7
189.01779	0.5
190.21477	0.5
191.07097	0.8
192.95959	1.4
193.05107	5.5
193.06714	0.9
203.03596	1.7
205.05132	0.5
211.07793	1.3
233.04625	1.9
235.06116	1.5
237.05661	0.9
239.07155	0.8
255.02962	0.6
255.06746	1.9
265.05157	1.0
267.06787	1.1
267.16019	1.2
277.03680	0.9
296.80206	0.8
307.04819	1.8
309.04184	1.1
311.05676	0.9
315.05664	0.5
355.10132	0.6
357.09976	0.8
365.96011	0.6
372.01361	0.6
444.42941	0.6
489.10040	0.8
489.16422	4.5
489.22861	0.9
490.16577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.5
59.01386	100.0
60.01728	0.7
69.45450	1.3
71.01390	4.5
72.99321	1.4
73.02961	1.9
75.00851	0.5
79.19839	0.5
81.54348	0.4
83.01440	0.5
83.05054	1.2
85.02979	2.0
87.00879	0.7
89.02449	2.6
96.96022	0.5
98.22683	0.8
101.02443	2.7
109.03008	1.0
109.89082	0.4
112.98837	2.4
113.02475	2.5
117.03485	0.9
119.03515	1.1
119.05066	1.8
121.02993	1.4
123.04536	0.5
132.02155	0.8
133.02997	1.7
134.03743	3.6
135.04546	2.0
145.02986	1.3
147.04619	0.6
151.04031	0.8
160.01689	3.3
161.02475	4.8
161.04561	3.5
163.04015	1.4
175.04030	4.2
177.02017	0.5
179.03505	0.8
179.05721	0.6
182.22807	0.5
193.03609	0.5
193.05061	3.3
203.03572	1.4
211.06139	0.5
233.04614	1.3
235.06210	0.7
265.05020	1.0
267.06757	0.6
267.16086	1.4
277.03568	1.4
284.03448	0.9
307.04608	0.8
309.04315	0.6
328.10361	3.1
429.21347	2.6
489.09778	0.7
489.16116	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	489.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96067	0.3
57.03432	0.4
59.01385	100.0
60.01706	0.6
61.98875	0.3
70.69632	0.5
71.01389	2.9
72.99320	2.5
73.02950	5.7
73.03317	0.5
83.01392	1.5
84.99330	0.5
85.02958	0.8
87.00874	2.2
89.02467	1.3
93.03510	0.3
94.45284	0.3
95.01457	0.4
99.92612	0.5
100.93388	0.3
101.02454	5.5
105.03518	0.4
108.02166	0.3
108.59776	0.3
109.02966	0.7
111.00899	0.5
112.98820	8.2
113.02464	2.4
115.92147	0.3
116.92913	0.7
117.03510	1.4
119.03601	1.5
119.05036	6.7
119.05818	0.5
120.45551	0.3
121.02968	2.2
121.53423	0.3
123.04555	0.5
130.99916	0.5
131.03545	0.7
132.02200	2.0
133.02959	2.4
134.03766	8.1
135.04611	1.7
136.01688	3.6
136.04893	0.3
137.02458	0.3
143.03554	0.8
145.02965	3.8
146.03461	0.4
147.04547	2.6
148.05339	0.4
149.00957	0.9
149.02419	0.5
149.04549	1.7
149.06120	1.1
150.03259	2.6
151.04016	5.6
151.06055	0.3
160.01672	8.3
161.02490	1.0
161.04613	2.9
161.05952	0.7
162.03159	0.6
163.04062	3.4
164.04797	0.3
175.00513	0.4
175.04019	11.5
176.04607	0.6
177.02036	0.5
178.02731	0.3
179.03545	0.4
181.05135	1.0
189.05722	0.5
190.02757	1.1
191.07228	1.2
193.05092	7.7
193.06424	0.4
194.05461	0.5
197.04610	0.4
203.03540	6.1
205.05128	1.0
207.06584	0.4
209.06192	0.7
211.06003	3.8
211.07726	2.1
215.03592	1.0
221.06668	1.1
233.04565	1.7
235.06097	2.3
237.05629	1.3
239.07280	0.6
251.05835	0.6
255.06638	4.3
256.06995	0.5
259.02637	0.4
265.05167	0.8
267.06839	0.9
277.03531	6.5
281.04584	0.4
293.04672	0.6
307.04648	1.7
309.04099	0.8
311.05789	1.1
317.71216	0.4
343.06628	0.6
369.19183	0.4
389.10602	1.2
427.13663	0.5
445.09363	0.5
453.07581	0.5
489.09607	1.2
489.16150	8.7
489.23117	0.5
490.16653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15509	0.3
59.01385	100.0
60.01722	1.1
60.39995	0.3
61.98861	0.3
69.93716	0.8
69.94061	0.3
71.01397	1.3
72.99329	0.8
73.02965	1.1
73.53954	0.3
84.99323	0.4
85.03001	0.4
85.64197	0.3
87.00867	0.7
88.82793	0.3
89.02469	0.7
96.96024	3.8
101.02430	1.7
105.03519	0.3
109.02991	1.1
112.98824	6.5
113.02495	0.9
117.03502	1.0
119.05059	0.8
121.02950	0.5
123.04510	0.4
130.99898	0.3
133.03017	1.2
134.03754	2.6
135.04585	3.5
136.04936	0.7
137.06107	0.5
139.13924	0.3
147.04521	0.3
149.00914	0.3
149.02458	0.4
151.04037	0.4
161.02527	1.1
161.04568	0.7
163.04036	0.7
175.04100	0.7
177.01956	0.5
179.03587	1.1
179.05656	0.4
180.03896	0.4
181.05128	0.9
193.05118	2.1
193.06599	0.4
194.05455	1.3
195.05605	0.7
203.03468	0.6
209.06233	0.4
211.06190	1.3
211.07907	0.4
219.02986	0.4
233.01112	0.4
233.04686	0.9
237.05724	1.0
239.07246	0.9
239.55927	0.3
248.04787	0.4
255.06670	0.5
263.13281	0.5
265.05115	0.7
266.05579	0.4
267.06805	1.1
277.03531	0.6
281.04745	0.6
293.04684	1.0
295.06583	0.3
307.04739	1.3
309.04608	0.6
311.05783	0.9
360.64639	0.3
429.21503	0.9
437.76328	0.3
489.08707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
57.03443	1.8
58.13931	0.8
59.01385	100.0
69.03472	1.2
69.37803	4.9
71.01390	35.7
72.99310	3.0
73.02949	20.0
83.01382	7.3
83.47440	0.8
85.02953	9.0
87.00893	2.5
89.02455	28.7
93.03469	3.7
94.51060	0.9
94.65176	0.9
95.01399	2.0
96.17108	1.1
98.22666	1.9
99.00882	1.0
101.02451	27.7
109.02945	5.9
113.02460	15.7
119.03513	7.6
123.04553	2.7
125.02426	1.7
131.03529	14.7
133.02994	3.9
135.04535	3.7
137.02444	9.1
143.03500	3.0
149.02539	4.8
149.04556	10.9
151.04015	3.4
161.02525	5.6
161.04520	5.1
162.34741	0.9
177.01936	1.9
179.03508	2.5
179.05641	5.2
185.02478	2.5
191.05667	19.4
193.06606	1.1
197.04573	1.2
203.05586	1.7
207.04437	1.2
221.06160	2.1
233.06766	4.9
235.04016	1.4
237.05571	1.4
239.07184	1.0
247.04092	1.5
250.06361	1.7
251.03557	0.9
261.13681	1.0
263.03381	4.5
265.05096	2.1
267.06674	5.8
275.67816	1.0
276.04309	1.2
281.04718	0.9
282.08954	1.1
291.03076	4.0
291.06369	1.1
292.03946	1.0
293.04553	13.0
294.04974	0.9
295.06076	1.9
295.14813	0.9
309.04181	2.1
309.07571	1.4
311.05692	7.6
315.18323	2.2
319.02509	1.3
321.04117	1.6
327.08707	1.8
352.48969	0.9
365.66803	1.0
410.01715	1.3
425.75928	0.9
445.09253	2.3
445.19409	1.0
447.22281	8.8
451.19690	13.4
453.20126	2.6
489.08182	2.0
489.23315	1.5
489.27274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03465	1.2
58.00597	0.7
59.01385	100.0
59.61581	0.5
60.01702	0.7
67.84274	0.6
69.30872	2.3
71.01389	25.7
72.99320	2.0
73.02959	9.0
74.57169	0.5
83.01403	3.9
85.00804	0.5
85.02965	9.5
87.00897	2.0
89.02454	21.2
93.03488	0.6
95.01443	1.6
96.95979	0.6
97.02977	0.8
99.00878	1.2
101.02454	15.8
109.02983	3.5
111.00905	0.6
113.02464	9.9
116.72671	0.5
119.03516	7.5
119.90059	0.5
123.04565	1.0
125.02472	1.4
131.03505	7.4
131.04314	0.6
133.02974	1.5
135.04568	2.8
137.02467	0.9
143.03564	2.0
149.02499	2.0
149.04541	4.7
150.03279	0.8
151.04079	1.4
155.03647	0.7
161.02530	2.0
161.04576	3.3
177.02003	1.0
179.03543	1.0
179.05626	4.5
185.02472	1.8
191.05658	7.8
191.08649	0.5
197.04555	0.9
207.04509	0.7
209.06236	0.9
219.04672	0.6
221.06308	1.0
224.63329	0.5
233.06769	1.7
235.04152	1.3
237.05679	0.9
247.04095	0.8
248.04883	0.6
249.05630	0.8
250.06404	1.1
251.03357	0.6
263.03601	2.1
264.04153	0.7
265.05176	1.5
267.06601	2.7
277.05173	0.8
291.03113	2.6
291.06329	0.7
292.03760	0.6
293.04581	7.3
294.05057	0.9
295.06140	1.3
309.03958	0.6
311.05615	4.5
315.18109	4.5
319.02863	0.6
321.04300	0.9
339.05496	0.6
357.19302	0.7
440.78894	0.6
445.09683	1.4
447.22366	9.4
448.22842	0.5
489.08496	1.7
489.23636	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	489.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03457	1.4
58.00603	0.8
59.01386	100.0
60.01711	0.6
69.03461	1.0
69.67638	1.4
71.01389	37.8
72.35623	0.5
72.99310	2.2
73.02952	19.9
79.62636	0.4
83.01400	7.6
85.02962	11.3
86.00166	0.5
87.00900	1.7
89.02457	26.5
93.03486	0.8
95.01433	1.3
97.02949	0.7
98.22572	0.8
99.00912	2.1
101.02458	25.1
105.03522	0.5
109.02998	3.0
113.02460	12.1
119.01515	0.5
119.03524	7.9
121.02980	0.5
125.02522	1.5
128.90164	0.9
131.03519	14.5
133.02950	2.3
135.04538	2.6
137.02487	3.8
143.03491	3.0
149.02501	2.0
149.04567	9.8
151.04031	1.4
155.03583	0.9
161.02505	3.3
161.04555	4.4
177.01945	0.7
179.03574	1.6
179.05618	4.2
185.02470	1.6
191.05640	17.6
191.07327	1.0
197.04634	1.0
203.03868	0.4
203.05696	2.0
213.76799	0.5
219.13914	0.5
221.06482	0.7
221.84084	0.4
233.06703	4.5
235.04141	1.1
236.05029	0.5
237.05698	1.0
249.05611	0.7
250.06332	0.5
253.05118	0.7
263.03549	2.1
265.05179	1.3
266.05765	0.7
267.06586	3.1
267.19907	0.5
277.05197	0.5
281.04742	0.5
282.09036	0.6
283.09842	0.6
291.03174	2.1
292.03821	1.0
293.04602	6.0
294.05252	0.6
295.06372	1.1
309.04306	1.0
309.07642	0.5
310.05017	0.6
311.05664	3.4
315.18210	1.3
321.04224	1.4
325.98837	0.5
326.07938	0.5
327.08795	1.1
337.03592	0.5
445.09326	1.0
447.22220	7.5
448.22852	0.5
451.19849	4.8
489.08411	0.9
489.14941	0.8
489.22693	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	489.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40548	23.0
53.16477	28.9
59.01377	24.7
59.17389	26.3
60.04513	26.9
65.59708	25.5
78.21813	23.8
112.09804	28.2
113.17244	29.4
135.04549	33.2
195.09555	26.4
270.57590	30.6
292.27087	29.1
489.34995	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	489.3228
Annotation	Asparacosin B
Peak:m/z	Relative Intensity
57.03453	2.9
59.01388	6.7
68.35847	0.3
69.03483	0.6
70.61111	0.3
71.01407	1.3
72.99338	0.5
73.02985	1.2
83.05054	1.4
85.02990	1.1
89.02473	0.4
95.01423	0.4
95.05037	7.6
95.05613	0.4
98.03745	0.8
98.21826	0.8
101.02486	0.5
105.54962	0.3
109.02980	0.6
109.06664	0.4
111.04546	0.5
113.02506	1.0
113.06095	12.7
115.01805	0.4
116.92922	0.5
119.05079	0.8
119.08744	0.4
123.04567	0.7
128.90219	0.6
133.03026	1.2
134.03792	0.5
135.04533	3.8
135.08215	0.6
149.02518	0.7
151.04039	0.3
159.04689	0.3
161.02455	3.1
171.09322	0.8
179.03514	1.4
193.06450	0.3
237.05612	0.5
267.06589	0.5
267.17490	0.5
277.03568	0.4
279.17691	0.7
281.15594	0.6
285.04083	0.8
291.17542	0.7
293.04642	1.2
293.08115	0.3
293.19220	2.1
295.20663	0.5
297.18665	2.2
299.20142	0.5
301.21967	0.4
309.18616	2.8
309.21829	0.6
311.05496	0.8
311.20163	2.9
313.21747	2.5
321.18680	2.4
323.20142	0.5
325.21848	1.8
327.05170	0.7
327.19711	15.3
327.23300	1.7
328.20004	1.8
329.21176	0.7
337.21832	1.4
339.19662	11.1
340.19974	1.3
341.21335	1.3
343.22800	10.8
344.23141	1.0
345.29968	0.7
353.21091	0.5
355.22784	5.8
359.22333	9.4
360.22739	1.1
367.22589	0.4
373.23865	6.9
374.24597	0.5
375.25424	100.0
376.25772	8.5
389.23282	0.6
399.25354	0.9
407.24606	1.7
419.24313	1.7
471.31046	1.7
489.32294	51.8
490.32596	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	491.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
69.19449	0.6
69.73844	0.9
72.99301	1.8
73.71386	0.7
80.02841	0.6
85.70660	0.6
98.22007	1.0
109.02959	7.9
113.02361	0.6
117.03489	0.6
121.57909	0.6
123.04522	1.8
133.02957	9.4
134.03760	4.0
135.04535	92.0
135.93681	0.6
136.04831	3.0
139.04065	0.6
149.02461	2.5
150.03148	0.7
151.03998	0.8
159.04541	0.8
161.02460	34.6
173.02428	0.7
174.03191	1.0
177.01871	0.7
179.03513	100.0
180.03862	3.2
185.02432	1.6
197.04509	1.4
214.27492	0.7
239.07249	1.3
250.06335	1.4
255.06577	0.7
266.05695	1.3
267.03778	1.0
267.06644	15.2
267.09399	1.2
268.07074	0.8
283.06168	1.6
293.04636	5.0
295.06149	1.9
311.05643	15.8
312.06012	1.0
313.06866	0.8
329.06592	0.8
359.48978	0.7
491.09973	1.4
507.66519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28609	0.3
52.59128	0.3
57.03456	1.7
59.01378	1.1
61.51387	0.3
72.65492	0.3
72.99303	0.3
79.62375	0.3
92.18836	0.3
93.03464	0.5
95.05048	0.3
99.04524	1.4
101.02464	0.6
105.03519	0.4
107.05031	1.0
109.02966	4.6
116.91222	0.3
117.03500	0.9
121.02975	1.2
123.04516	0.3
125.02496	1.0
132.02185	0.4
133.02982	8.4
133.20938	0.3
134.03783	2.8
135.04543	95.4
136.04851	3.2
143.10811	1.3
145.02972	0.9
149.02461	4.5
150.03265	2.2
158.03851	0.4
161.02463	28.1
162.02811	0.9
165.63586	0.3
166.43651	0.3
170.11545	0.3
173.02362	0.5
174.03227	0.4
177.02126	0.3
179.03516	100.0
180.03856	2.9
196.05321	0.4
197.04562	0.4
197.06146	0.3
201.01907	0.9
211.07675	0.5
221.06192	0.3
230.04544	0.3
237.05507	0.5
239.07092	1.0
249.05539	0.8
250.06340	1.3
255.06497	0.4
265.05026	0.6
266.05832	0.8
267.06650	16.7
268.07031	1.2
283.06152	1.4
297.07690	0.3
311.05658	12.4
312.05984	0.7
329.06363	0.4
341.06577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40298	1.0
59.01387	73.0
71.01380	9.0
72.99319	8.7
73.02952	3.7
83.01415	1.2
85.02950	4.9
87.00890	1.4
89.02454	3.2
93.03467	4.1
94.03786	1.4
95.01420	1.2
97.02949	1.1
101.02438	6.6
107.47230	1.1
109.02970	18.4
111.00903	1.2
112.98816	2.2
113.02450	5.3
121.02982	2.1
123.04523	3.9
125.02489	1.7
133.02979	1.9
134.03760	7.7
135.04546	49.4
137.02460	4.8
138.02786	1.3
143.03568	1.3
145.02974	2.0
147.04457	1.2
151.03984	2.1
159.04503	5.5
161.02464	4.4
161.04599	2.8
163.04025	1.2
173.02437	1.5
174.03142	1.3
177.01968	2.2
179.03523	12.7
185.02434	3.6
186.03291	1.2
192.04327	1.4
193.03120	1.4
193.05060	1.8
193.06610	1.2
197.04576	6.3
197.06131	1.4
209.05980	1.6
211.04019	1.2
211.07651	1.4
221.06059	2.0
229.98869	1.0
237.01941	3.7
237.05710	1.9
239.07143	2.9
248.04832	2.2
249.05516	3.6
250.06206	1.9
253.05003	1.2
255.97729	1.3
264.04312	1.8
265.02118	1.3
265.05093	6.6
266.05884	4.3
267.03046	15.7
267.06628	48.1
268.03470	2.4
268.07010	3.1
269.04544	1.4
269.08231	2.1
277.05145	1.7
280.03799	1.4
287.16544	4.4
293.00937	31.0
293.04556	21.5
293.07867	0.9
294.01340	1.6
294.05197	1.8
295.06091	9.0
301.16632	1.2
311.02069	10.3
311.05603	100.0
312.05954	5.9
313.07407	2.3
329.13995	1.9
336.64465	1.5
339.04977	3.2
431.26498	15.6
449.27731	8.4
491.09888	30.1
492.09988	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.099
Annotation	Salvianolic acid C
Peak:m/z	Relative Intensity
59.01384	4.4
66.97196	0.6
69.09053	4.5
69.09448	1.5
72.99320	11.3
93.03459	1.0
98.22617	1.5
107.05016	0.7
108.02203	1.5
109.02972	17.2
111.01168	0.6
121.02929	4.0
123.04556	6.5
133.02948	4.4
134.03745	2.0
135.04543	23.7
136.04926	1.2
145.02988	1.6
147.04523	1.4
149.02440	0.8
151.04024	3.6
159.04538	3.1
161.02486	8.0
163.04070	1.0
163.53761	0.8
172.32315	0.7
173.02428	2.1
174.03285	0.9
177.01924	1.4
179.03511	10.3
185.02461	4.9
186.03122	0.9
193.06618	1.6
196.05310	1.1
197.04530	8.4
197.06117	1.4
197.33589	0.7
198.04984	1.1
204.05948	0.8
208.05263	1.3
209.06091	3.2
211.07622	1.1
219.04520	7.8
220.05183	2.4
221.06093	4.6
232.05394	1.1
235.04028	3.3
236.04784	2.2
237.05627	10.5
239.07219	2.6
247.04024	8.8
248.04785	10.0
249.05566	13.1
250.06306	4.3
251.03502	2.0
251.06885	0.9
252.04285	1.2
253.04861	0.8
255.06584	2.2
263.03519	2.5
264.04303	11.5
265.05069	29.8
265.66028	0.7
266.05573	4.5
267.06638	22.4
268.07007	1.5
269.08234	3.1
275.03528	16.0
276.04059	3.1
277.05008	1.4
279.03305	0.7
280.03632	0.9
281.08267	0.9
285.07712	1.6
285.15045	4.0
291.03015	4.5
292.03717	2.7
293.04584	100.0
294.04953	7.7
295.06128	6.3
311.05588	15.3
312.06216	0.9
313.07199	1.8
321.04089	2.3
339.05096	2.8
346.77304	0.8
403.11987	1.3
419.54169	0.7
491.09579	3.4
491.19391	0.7
491.28815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0994
Annotation	Salvianolic acid C
Peak:m/z	Relative Intensity
51.93568	1.9
57.03441	6.7
57.71355	1.8
59.01384	48.8
64.31544	2.1
69.34325	8.2
71.01389	8.0
72.99305	19.4
73.02950	6.5
80.19591	1.8
83.01371	2.8
85.02946	6.7
89.02451	2.8
95.01401	2.7
99.00915	2.8
99.04512	2.6
101.02448	8.0
108.02174	3.1
109.02963	100.0
113.02471	3.7
114.16507	1.8
121.02953	6.0
123.04527	15.0
123.05978	2.4
131.03488	6.0
133.02963	6.6
134.03732	6.7
135.04547	58.4
136.29019	1.7
137.02507	3.1
142.37210	1.8
145.02933	9.4
147.04532	7.3
149.02437	10.7
150.03246	3.0
151.04002	6.5
157.02971	3.0
159.03346	2.2
159.04506	12.9
160.04993	1.8
161.02432	11.3
161.04594	3.5
163.04001	3.7
164.04765	2.6
173.02443	7.7
177.01955	4.7
179.03540	23.3
181.05087	11.3
181.60762	1.9
185.02454	54.8
186.03241	11.3
187.03615	2.3
193.06653	2.8
196.05348	2.2
197.04524	9.4
197.06143	2.9
208.05255	3.6
209.06030	6.6
221.06166	6.3
222.06842	2.3
224.04803	2.9
225.05588	5.6
236.04861	2.1
237.05669	6.5
239.07143	7.7
248.04762	3.3
249.05573	15.8
250.06305	5.6
251.03468	2.4
252.04231	6.3
253.05006	3.5
263.03326	3.2
264.04318	2.9
265.05048	11.7
266.05972	3.8
267.03354	4.3
267.06613	40.1
268.06879	3.5
269.08167	3.9
276.04333	5.9
277.05069	19.4
278.05609	3.0
279.02991	16.9
280.03738	8.3
281.08142	2.0
293.00949	9.1
293.04565	66.4
293.07877	4.0
294.05173	12.4
295.06143	70.1
296.06390	4.5
309.07700	5.7
311.05573	17.6
311.35089	2.1
313.07132	6.5
313.16672	9.5
315.17960	4.1
316.18527	2.9
321.04062	10.9
339.05106	72.3
340.05359	5.5
431.26819	10.3
440.59946	2.1
445.20718	3.7
447.10556	2.5
448.22681	3.6
449.27194	3.6
491.09869	8.6
491.18912	3.0
502.59439	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73781	0.3
57.92972	0.3
59.01390	0.4
72.99313	0.4
74.45533	0.3
76.51297	0.3
89.04013	0.3
91.05504	0.3
95.01439	0.3
106.04168	0.3
107.05049	0.9
109.02977	2.6
117.03495	1.1
121.02977	1.1
132.02260	0.4
133.02975	6.9
134.03821	2.1
135.04543	81.1
136.04895	2.0
145.03014	0.7
149.02466	5.7
150.03265	2.0
161.02464	29.8
162.02835	0.9
173.02438	0.3
174.03217	0.5
179.03516	100.0
180.03819	2.9
197.06081	0.5
201.01990	0.5
205.01389	0.4
211.07712	0.4
221.05988	0.7
238.06444	0.3
239.07083	0.7
249.05638	0.7
250.06319	1.1
255.06595	0.5
265.05020	0.6
266.05917	0.6
267.06650	14.0
268.07062	0.8
283.06195	1.6
288.83331	0.4
297.07770	0.5
299.96530	0.3
311.05655	11.4
312.05969	1.1
329.06702	2.2
330.07025	0.3
341.06650	1.2
348.24786	0.3
468.45218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0988
Annotation	Isosalvianolic acid C
Peak:m/z	Relative Intensity
54.07993	0.5
59.01385	1.1
71.35368	0.5
72.99313	2.3
74.68534	0.6
105.03497	0.6
107.05035	1.3
109.02964	10.9
121.02991	0.9
123.04527	1.3
126.39681	0.6
133.02971	7.9
133.10619	0.6
134.03783	3.3
135.04541	100.0
136.04857	2.3
139.03970	0.6
145.02953	1.4
149.02457	4.2
150.03210	2.1
151.04002	1.6
159.04561	1.0
161.01112	1.1
161.02454	21.4
173.02493	1.2
174.03252	0.7
177.01933	0.7
179.03517	99.0
180.03915	3.3
185.02498	2.9
193.06628	0.9
194.95398	0.7
196.05276	0.6
197.04538	1.9
221.06087	1.7
237.05562	1.5
239.07170	1.7
249.05530	0.9
250.06300	1.9
255.06624	1.1
265.04990	1.9
266.05756	1.1
267.06653	26.0
268.06955	1.8
277.05170	0.7
279.02982	0.8
283.06189	2.6
293.04605	6.3
295.06171	2.1
311.05630	21.1
312.05911	1.3
313.07526	0.8
321.04028	2.5
339.05093	1.3
347.81763	0.7
434.13693	0.7
491.09808	1.0
492.39355	0.8
510.85696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68539	2.0
52.74908	2.4
59.01385	24.6
62.13944	1.9
66.91753	2.4
69.49336	4.7
69.49735	5.8
71.01370	6.0
72.99312	29.5
75.03878	2.2
85.02956	2.8
88.27768	1.9
101.02429	2.6
101.17451	2.7
109.02960	9.3
117.03472	8.7
120.05772	2.0
123.04554	4.3
133.02972	33.1
135.04543	67.5
139.47725	2.2
145.02975	2.3
149.02469	6.6
150.03210	3.9
151.04085	4.0
159.04568	4.0
161.02458	100.0
162.02820	6.6
166.89232	2.0
179.03516	30.6
185.02419	4.4
191.10797	11.9
197.04556	5.0
200.31300	1.8
203.10800	9.2
219.10318	5.6
231.10170	2.4
237.05585	2.5
239.07091	2.5
249.05304	3.6
267.06580	8.5
269.21146	5.0
275.09308	4.5
283.06079	3.5
287.22220	6.5
293.04996	11.1
293.10330	47.6
294.10709	3.1
311.05722	17.5
321.04034	4.3
329.06586	12.0
339.05133	4.4
431.26718	6.2
449.27658	9.5
455.13467	10.9
491.09787	3.7
491.22336	2.8
491.28748	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	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.2
70.00889	1.3
70.01228	2.2
71.01382	3.8
72.99320	7.0
85.02939	2.0
87.34107	1.1
101.02443	1.4
108.02176	16.7
109.02976	11.1
117.03468	1.4
119.05041	27.2
123.04552	12.5
128.30919	1.1
132.02219	1.2
133.02969	30.5
134.03748	3.7
135.04538	47.9
136.04817	1.5
145.02930	1.2
147.04512	1.7
149.06161	1.5
152.01164	38.8
159.04536	2.6
161.02458	100.0
162.02821	3.3
163.04030	22.5
167.03516	35.3
175.04030	1.1
177.02037	1.8
177.05583	4.7
179.03503	27.0
180.03897	1.5
185.02490	2.8
195.86899	1.2
197.04564	10.1
203.03601	1.6
204.64532	1.1
221.04555	6.8
239.07367	1.4
250.06247	1.7
250.85397	1.1
265.05182	2.0
266.05908	1.2
267.06625	8.7
269.07999	1.5
293.04602	18.4
295.06033	3.2
311.05682	6.5
323.07742	78.6
324.08096	5.7
329.08759	4.7
339.05325	1.2
359.07626	3.4
491.11969	30.7
492.12390	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	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37325	0.8
55.52487	0.8
57.03446	2.5
59.01381	6.0
71.01380	3.1
72.99294	1.4
73.02946	1.1
80.25690	0.9
85.02958	1.5
86.55482	0.8
91.01895	1.2
99.04564	1.0
101.02462	2.5
107.04999	1.6
108.02207	5.0
108.72786	0.9
109.02968	54.4
113.02457	1.5
117.03465	1.2
123.04530	3.9
124.04754	0.8
132.02170	4.5
133.02980	14.9
134.03775	10.6
135.04541	100.0
136.04858	3.3
138.03262	1.6
139.96901	0.8
147.04594	1.1
149.06114	2.6
152.01147	3.9
153.01958	65.0
153.05594	8.4
154.02267	2.0
159.04524	1.8
160.01691	14.1
161.02460	49.1
162.02846	2.0
167.03552	5.3
175.04022	19.8
177.05577	5.3
179.03519	80.1
180.03902	3.6
185.02484	1.0
193.05125	5.1
203.03712	0.9
221.04562	5.7
251.05608	4.9
255.06502	1.0
266.05682	1.3
267.06653	3.9
281.06717	3.4
286.04211	1.4
293.04565	4.4
295.06003	1.8
297.05954	1.1
311.04965	4.3
311.08505	1.6
315.07214	6.7
323.07736	43.8
324.08002	2.1
329.06689	2.4
337.09305	11.5
339.86145	1.1
341.08795	4.1
371.86819	1.0
415.79987	1.1
491.11362	17.9
492.11948	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.6
59.20897	0.7
60.51888	0.8
67.01894	1.2
69.03470	0.8
71.01393	10.5
72.99340	2.7
73.02975	1.9
81.03517	1.3
83.01397	1.7
85.02967	2.2
87.00896	5.5
88.98824	0.7
89.02464	5.0
91.01900	9.3
93.03486	1.9
95.01422	1.9
96.99348	0.7
101.02436	6.2
107.01446	2.1
107.05074	0.9
108.02192	10.5
109.02969	8.8
111.00900	1.8
113.02457	3.9
117.03502	1.9
121.02961	12.4
122.03788	1.1
123.00925	1.7
123.04545	34.7
124.01700	1.5
124.04888	1.0
125.02502	1.8
131.03532	0.8
131.53447	0.7
133.03024	3.5
134.03787	2.1
135.04544	51.1
136.04884	1.7
143.03612	1.2
145.03017	3.0
145.11606	0.8
149.02533	1.7
150.03287	2.2
151.00420	5.9
151.04019	2.9
152.01160	12.9
153.01924	1.4
153.05624	1.0
159.04582	1.5
161.02441	4.7
161.04614	1.4
165.01865	0.8
166.02745	4.9
167.03520	100.0
168.03899	1.9
173.02429	8.5
177.01976	2.4
179.03520	25.4
180.03976	0.9
181.05107	4.9
185.02522	0.8
194.02296	2.7
195.03033	1.0
197.04549	7.8
198.72188	1.0
209.04544	27.1
210.06934	1.2
211.07690	8.1
212.07922	1.4
221.06221	1.8
222.06876	0.9
223.07738	1.2
237.05688	3.2
239.05682	3.5
239.07477	2.4
249.05696	1.7
250.06506	1.0
250.56433	0.9
251.01978	0.8
251.07199	1.6
255.06750	7.8
256.07013	1.0
265.05179	2.9
266.05814	1.1
267.06689	6.9
269.06482	9.8
269.32416	0.9
277.05154	2.2
281.08243	1.5
283.06296	1.9
293.04681	3.7
293.08188	1.2
295.06149	40.2
296.06158	1.9
311.08054	7.0
313.07385	2.1
329.08978	1.9
379.12610	0.9
405.18524	0.8
435.10925	5.4
447.11188	1.1
491.14395	26.2
492.14835	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	491.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.1
66.67230	5.4
72.99307	14.5
85.02978	5.7
108.02271	7.0
110.94868	6.7
121.02959	10.3
123.04546	37.4
135.04549	35.7
152.01137	9.9
166.02765	13.3
167.03508	100.0
168.66428	5.5
179.03506	20.0
179.05734	7.2
181.05040	7.4
197.04536	9.1
207.18672	5.7
209.04575	80.4
239.05687	6.6
247.38611	6.1
269.06668	23.0
295.06110	18.3
329.08844	7.0
378.15433	5.9
406.79486	7.1
491.07959	7.1
491.14243	83.9
492.13989	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	491.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03421	0.7
56.76713	0.8
59.01176	0.6
59.01392	7.4
70.77556	1.5
71.01378	1.6
72.99310	1.1
73.02967	1.3
75.62193	0.8
79.39639	0.9
83.01359	0.9
85.02943	1.0
89.02462	0.8
93.03447	0.8
95.05029	1.8
101.02461	1.9
109.02962	2.6
112.98805	4.5
113.02440	1.7
117.03473	1.0
121.02975	1.4
122.03727	2.2
123.04539	100.0
124.04869	2.4
132.02187	8.9
133.02965	2.1
134.03764	19.9
135.04552	8.3
149.06102	4.0
153.05591	98.3
154.05927	2.8
160.01669	44.9
161.02536	3.6
161.43311	0.8
175.04018	56.7
176.04454	1.9
178.02643	1.6
179.03410	1.4
183.10187	0.8
191.07156	1.1
193.05099	18.2
194.05469	0.9
202.02744	0.8
205.05049	1.0
217.05051	1.8
233.04547	2.0
255.06604	1.3
267.06659	2.1
275.61264	0.9
293.04590	1.9
295.05688	0.8
307.04532	3.2
311.05658	4.4
315.10764	1.3
337.09320	76.3
338.09766	5.2
383.56610	0.8
491.15543	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	491.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43810	1.4
57.03452	1.8
59.01385	24.8
65.00324	3.8
65.92879	1.3
68.99827	2.3
69.28595	8.3
71.01387	3.3
72.99320	14.0
73.02959	4.5
78.95003	1.5
83.01392	2.9
84.99343	7.7
87.00899	10.3
89.47324	1.4
107.01417	5.4
107.05022	2.4
109.02969	11.7
110.13477	1.6
111.00867	2.4
112.98822	86.5
113.02445	2.0
116.92872	3.8
117.03479	5.8
119.05030	5.1
121.02976	4.9
123.04520	3.4
130.99904	2.4
133.02968	7.6
134.03758	81.9
135.04550	100.0
136.04865	5.1
137.02443	2.2
137.06096	1.9
145.02959	3.6
146.64508	1.5
149.02448	3.0
149.06096	15.0
149.31693	1.6
150.03210	1.7
151.00385	35.6
151.03989	2.1
153.09213	2.4
158.03778	2.0
159.04546	2.2
160.01662	13.4
161.02457	20.4
162.03270	9.3
163.04007	3.1
167.01794	2.8
173.02414	4.1
175.04027	16.6
176.04726	3.0
177.05548	5.9
177.57759	1.5
178.02753	8.9
179.03532	25.5
183.10268	15.1
185.02440	2.6
190.02733	5.9
191.07137	4.9
193.05081	61.0
194.05426	1.8
197.04608	3.0
201.46828	1.9
202.02806	2.2
205.05051	7.6
207.10178	1.5
211.00815	2.1
219.06470	3.5
225.11241	2.5
230.02156	3.0
233.04549	34.0
235.00853	1.8
235.06157	3.7
239.07184	3.5
245.04599	3.7
265.05005	2.6
266.05920	2.0
267.06641	11.4
269.08130	1.7
279.08698	1.7
287.05627	26.2
288.05981	2.7
289.03650	3.9
293.04672	7.5
295.06125	18.1
307.04639	54.9
308.05106	2.5
311.05606	11.8
321.87421	1.5
337.09357	1.9
392.23132	1.6
431.26740	3.2
491.11441	5.9
491.28952	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	491.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64243	0.7
57.03453	100.0
58.03796	0.7
59.01384	84.7
60.01722	0.8
68.18576	0.6
69.31509	2.1
69.31908	1.7
71.01381	4.9
72.99321	3.1
73.02953	6.7
81.03454	3.3
82.84149	0.6
83.01392	2.1
87.00906	2.2
89.02477	1.9
89.03990	0.7
92.00256	0.7
99.04527	84.4
100.04866	1.6
101.02448	18.1
107.05064	0.8
109.02980	2.0
112.98826	7.7
113.02512	2.1
114.14153	0.8
117.03529	1.3
119.04968	0.8
119.92165	0.6
120.47170	0.6
123.04549	1.4
125.02456	29.8
126.02800	0.9
133.02997	1.9
134.03764	20.1
134.48723	0.6
135.04539	42.1
136.04889	1.5
143.03555	1.8
145.02989	1.1
149.06093	1.3
160.01730	1.3
161.02472	5.7
161.04588	2.5
162.03239	2.2
163.04091	0.8
175.04103	1.9
178.02730	0.9
179.03543	3.3
183.10321	2.6
190.02707	1.6
193.05078	11.0
197.04608	1.1
205.05080	1.2
233.04535	4.9
237.05750	2.0
239.07320	0.8
245.04601	0.9
248.04866	1.4
249.05457	1.2
251.03543	2.6
264.04300	4.2
265.05106	4.3
267.06546	4.4
273.13602	0.8
293.01218	1.7
293.04572	29.8
294.04953	2.2
295.06210	1.0
307.04547	7.0
311.05533	6.1
315.11057	1.5
325.59451	0.8
328.08502	0.9
329.08633	2.0
431.26596	2.1
491.27890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	93.6
59.01390	73.6
59.01699	2.1
59.99434	1.5
60.32256	2.0
61.98834	3.6
69.24889	9.1
71.01384	2.8
73.02958	3.0
81.03475	2.7
99.04532	76.9
99.05193	3.8
101.02455	12.2
107.05048	1.8
109.02960	12.0
117.03452	3.6
125.02474	23.0
134.03749	9.2
135.04546	100.0
136.04829	2.6
151.04166	2.0
161.02460	7.7
179.03561	13.8
185.02460	10.1
186.03040	2.2
195.00681	1.9
250.06018	1.7
267.06647	10.5
293.08231	2.4
295.06250	8.0
311.05450	2.0
339.05170	1.9
363.62280	2.0
436.21841	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	491.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89304	4.2
55.13305	4.5
59.01389	49.3
61.98829	14.9
63.97051	4.4
69.15086	28.1
71.01390	36.6
72.99329	6.9
85.02950	7.2
87.00887	9.3
88.73489	5.0
89.02453	97.7
101.02432	10.8
109.02957	14.3
113.02457	16.4
119.03512	13.7
121.02950	9.3
123.04517	9.3
133.02946	8.9
133.05087	100.0
135.04541	67.5
137.02460	5.9
138.79132	4.3
140.07347	5.2
140.75284	4.3
143.03490	6.0
145.02954	12.9
161.02449	14.5
161.04492	9.2
162.03197	18.7
167.03500	7.4
175.66515	5.1
177.05576	7.3
179.03522	28.0
179.05687	26.5
181.05084	6.7
195.06631	11.8
209.04575	5.7
223.07777	5.5
233.04573	8.2
239.07245	6.8
260.99524	6.1
267.06625	11.4
283.06024	5.4
293.04294	5.5
295.06183	34.7
353.50937	6.7
357.11871	28.7
431.22900	7.1
433.12747	6.4
491.14423	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89304	4.2
55.13305	4.5
59.01389	49.3
61.98829	14.9
63.97051	4.4
69.15086	28.1
71.01390	36.6
72.99329	6.9
85.02950	7.2
87.00887	9.3
88.73489	5.0
89.02453	97.7
101.02432	10.8
109.02957	14.3
113.02457	16.4
119.03512	13.7
121.02950	9.3
123.04517	9.3
133.02946	8.9
133.05087	100.0
135.04541	67.5
137.02460	5.9
138.79132	4.3
140.07347	5.2
140.75284	4.3
143.03490	6.0
145.02954	12.9
161.02449	14.5
161.04492	9.2
162.03197	18.7
167.03500	7.4
175.66515	5.1
177.05576	7.3
179.03522	28.0
179.05687	26.5
181.05084	6.7
195.06631	11.8
209.04575	5.7
223.07777	5.5
233.04573	8.2
239.07245	6.8
260.99524	6.1
267.06625	11.4
283.06024	5.4
293.04294	5.5
295.06183	34.7
353.50937	6.7
357.11871	28.7
431.22900	7.1
433.12747	6.4
491.14423	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82515	0.8
61.70319	0.8
69.50745	4.1
76.86073	0.9
78.95912	13.6
93.00156	16.5
120.96972	3.4
138.98006	5.5
152.99530	13.2
153.00583	3.2
164.86484	1.1
195.00615	6.1
213.01698	8.5
267.23349	4.8
277.21741	100.0
278.22040	8.0
293.04211	1.1
337.21561	7.1
355.26505	1.0
432.67340	1.0
473.23221	27.2
491.24191	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
62.96389	0.6
63.34849	0.5
67.64894	0.6
69.68736	1.1
69.69134	1.0
70.70763	0.6
78.95905	14.6
98.29822	0.6
109.02971	0.5
112.04028	0.5
112.96283	0.5
120.97013	3.5
138.98062	6.4
141.16644	0.6
150.09846	0.6
152.99608	15.3
195.00632	6.9
206.58356	0.5
213.01692	9.1
221.16774	0.7
259.20511	0.7
277.21738	100.0
278.22104	6.2
473.23114	33.2
474.23569	3.1
491.24353	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	491.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01384	100.0
61.98833	7.9
66.42575	1.2
70.45591	2.1
71.01390	32.1
72.85259	1.2
72.99319	6.4
73.02953	9.6
75.00886	1.6
80.30305	0.9
83.01374	2.8
85.02961	11.6
89.02454	21.2
90.48582	1.0
95.01395	2.1
99.00871	2.8
101.02455	20.7
109.02976	6.2
113.01225	1.1
113.02472	15.1
119.03516	10.8
121.02967	2.9
123.04472	2.5
133.02963	3.8
134.03732	3.4
135.04544	33.3
143.03526	2.9
147.04546	1.5
149.04582	1.5
151.03940	1.3
159.03064	1.6
159.04451	1.5
161.02547	5.8
161.04585	15.9
162.02898	1.3
163.04030	1.8
165.05605	2.0
173.02454	1.7
175.03925	1.8
177.01917	1.1
179.03529	7.3
179.05634	8.4
185.02423	1.2
191.03519	2.9
193.06567	1.5
195.08299	1.3
197.04552	3.2
211.07707	2.5
215.03464	2.2
223.07629	3.0
233.04546	8.8
237.05618	1.5
239.07211	7.0
247.86983	1.0
255.06607	4.1
265.05035	2.9
266.05560	1.1
267.06631	6.0
269.17596	2.6
272.61780	1.2
275.05673	1.4
283.06107	6.3
291.49881	1.1
293.04489	4.6
295.06119	2.4
311.05624	6.6
329.10675	1.9
431.22919	50.4
432.23248	2.7
449.23236	1.1
491.09637	1.2
491.24905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60234	0.7
57.03448	1.6
59.01384	100.0
60.01714	1.3
61.98836	35.6
71.01395	4.8
72.99317	3.3
73.02950	1.6
73.22011	0.6
84.95122	0.7
85.02945	1.1
89.02473	2.6
89.03972	1.0
90.76842	0.6
91.09561	0.8
93.03471	0.7
96.96022	1.9
99.04511	0.9
101.02453	4.0
105.03466	1.0
107.05035	1.2
108.02166	3.1
109.02961	24.2
113.02456	2.1
117.03457	1.4
119.03511	1.1
119.05054	2.2
120.05357	0.7
121.02966	1.7
123.04546	13.3
130.91954	0.6
132.02174	2.0
133.02986	7.2
134.03792	6.7
135.04539	85.9
136.04854	3.1
137.02451	1.5
145.02985	2.1
146.03802	0.9
147.04536	1.6
149.02403	1.2
149.06039	1.7
151.03964	1.2
152.01213	3.3
153.01952	16.3
153.05594	10.0
159.04523	2.2
160.01665	6.3
161.02452	19.8
162.02853	1.5
163.04143	0.9
167.03523	5.4
175.04036	11.2
177.01952	2.1
177.05536	0.9
179.03506	21.9
180.03836	1.5
185.02440	4.0
186.03203	0.7
190.02661	0.7
193.05116	3.8
195.02927	0.6
197.04547	1.8
199.09773	0.9
203.03363	1.0
209.06036	1.2
221.04407	1.1
223.07709	0.6
225.05531	0.8
237.05585	1.3
238.06427	1.2
239.07162	0.9
248.04544	0.8
249.05637	1.4
249.11324	1.8
250.06354	1.7
251.05580	0.7
253.04906	1.0
255.06584	2.4
265.05066	2.5
267.06644	10.1
268.07172	0.8
269.08179	2.0
277.05035	1.1
285.07730	1.2
286.04184	1.1
293.04605	10.8
294.04980	0.8
295.06030	5.0
311.05264	5.5
311.07837	8.1
313.07257	1.0
315.07224	2.1
323.07755	3.2
329.06763	3.2
329.12097	0.9
337.09283	8.3
338.09750	0.8
339.05002	1.6
371.20667	1.3
389.21759	2.3
403.12015	1.0
429.17950	0.7
431.22870	2.0
491.10934	4.8
491.14835	3.7
491.28018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08615	1.9
57.49680	2.0
59.01388	87.3
61.98829	5.2
68.98885	1.8
71.01391	28.6
72.99320	8.4
73.02955	9.7
83.01394	5.9
85.02950	14.4
87.00897	3.0
88.05769	2.1
89.02478	16.2
95.01389	2.7
99.00880	2.9
101.02451	26.8
109.02964	20.3
113.02493	10.4
117.03478	2.2
119.03519	5.5
121.02983	9.3
123.04534	9.2
125.02419	2.2
133.02951	8.2
134.03722	7.3
135.04543	100.0
136.04889	4.2
143.03473	3.1
145.02956	3.7
149.02512	2.6
150.03227	4.3
151.04016	5.6
152.01207	2.2
157.03046	2.8
159.04495	3.2
161.02438	9.7
161.04568	14.1
163.04039	2.2
165.05649	2.2
167.03529	15.1
168.03883	2.1
173.02460	8.8
177.02008	3.6
179.03520	32.8
179.05264	2.6
179.05745	2.6
185.02446	6.8
187.04117	2.7
197.04475	10.9
209.04543	8.5
209.06242	3.9
211.07724	11.8
221.06102	5.7
222.06825	3.5
223.07684	4.9
233.04611	8.7
237.05597	3.8
239.07292	19.6
249.05566	5.9
250.06438	3.7
251.07233	3.6
255.06653	14.2
265.05188	10.5
267.06644	17.0
269.08286	2.9
269.17532	3.2
283.06180	14.2
293.04465	18.4
295.06149	35.2
311.05640	20.9
313.07343	4.0
328.10464	5.9
329.10666	4.2
371.09912	5.0
396.63367	2.5
431.22879	69.6
435.10959	2.4
491.09583	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55227	0.6
55.01889	1.1
57.03455	2.3
59.01387	100.0
60.01717	0.6
61.98840	1.2
65.86694	0.7
69.03471	0.8
71.01390	31.0
71.42612	0.7
72.99306	4.2
73.02959	6.4
75.00907	0.7
81.03467	0.6
83.01408	2.4
85.02962	9.7
86.90186	0.6
87.00896	1.9
87.04516	1.0
89.02457	27.8
91.95477	0.6
95.01420	2.4
96.96031	0.8
97.02979	0.7
99.00889	3.5
101.02459	20.7
101.03109	1.1
102.02768	0.6
108.02197	0.6
109.02961	10.0
109.03600	1.0
112.09259	0.7
113.02463	13.4
119.03519	14.3
121.03036	1.7
123.04568	2.2
124.00028	0.7
125.02477	1.4
131.03552	1.8
133.03023	2.0
134.03772	2.3
135.04547	32.2
136.04906	1.2
143.03537	3.5
145.03027	1.3
147.04576	1.0
149.04607	1.8
149.06166	0.7
150.03291	0.7
151.03990	1.1
159.03087	0.9
159.04565	2.2
161.02585	2.9
161.04575	16.3
161.05861	1.2
163.04048	1.8
165.05688	0.7
173.02499	0.9
174.03236	0.7
177.02042	1.4
179.03563	7.3
179.05679	11.7
185.02534	2.1
187.04013	1.0
189.05539	0.9
191.03569	1.7
193.06613	0.9
197.04555	4.6
208.11742	0.7
209.06152	0.9
211.07643	3.0
215.03596	1.1
221.06197	1.5
222.06923	1.8
223.07610	3.1
233.04564	6.8
237.05664	2.2
238.06390	1.2
239.07210	8.1
248.04961	0.8
249.05669	1.6
250.06464	1.2
255.06645	5.0
265.05066	3.7
266.05817	1.0
267.06616	8.3
267.08865	0.6
269.08264	1.5
269.17664	2.7
275.05643	2.9
283.06091	5.9
293.04205	6.0
293.07526	1.1
295.06158	4.1
296.06430	0.9
311.05637	8.9
311.08923	0.9
312.06122	1.4
313.07364	2.1
357.06253	1.7
359.11328	0.9
431.22885	49.9
432.23209	3.5
447.10861	0.9
491.10043	2.3
492.15729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71799	0.4
57.03454	0.9
59.01385	100.0
60.01721	0.9
71.01394	1.8
72.99329	0.8
73.02948	0.6
74.20071	0.4
83.01385	0.4
85.02988	0.7
89.02467	1.0
96.96023	0.6
98.21890	1.7
99.04533	1.1
101.02482	1.5
107.39977	0.4
109.02962	2.1
113.02489	1.2
123.04549	1.1
133.02986	2.3
134.03769	0.5
135.04538	4.9
149.02473	0.4
150.03194	0.4
161.02480	4.1
161.04642	0.6
173.02493	0.5
179.03586	1.6
197.04642	1.3
223.07635	0.4
247.04161	0.5
250.06438	0.5
265.05078	0.8
267.06796	1.5
293.04593	5.7
295.06262	1.3
311.05704	1.0
329.08957	0.9
337.27176	0.4
339.05475	0.7
371.20889	4.1
389.21652	2.9
431.22778	3.0
447.13028	1.1
459.14362	0.4
491.10196	0.9
496.34030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03443	1.4
58.00590	0.5
59.01388	25.9
69.03439	0.8
70.59795	0.9
71.01019	0.9
71.01391	12.5
72.99310	1.4
73.02958	3.3
83.01393	1.8
85.02969	4.9
86.00134	0.6
87.00885	3.9
88.98845	0.7
89.02458	2.0
95.01379	0.9
97.02979	1.3
99.00897	0.8
101.02459	5.4
109.02975	3.7
111.00893	0.9
113.02485	3.3
115.92092	0.8
116.92863	4.9
119.37144	0.5
121.13511	0.5
124.01705	1.1
124.07679	2.0
125.02467	1.6
133.02957	1.8
135.04543	7.3
136.04813	0.7
141.12912	0.8
141.16719	0.5
143.03517	0.5
146.36717	0.5
161.02460	4.3
161.04573	0.5
163.06348	0.7
179.03500	3.5
185.02441	2.5
190.71898	0.4
197.04578	0.8
221.06180	0.6
248.04849	0.5
249.05653	0.8
264.04230	0.6
265.05008	1.6
267.06647	1.6
269.21228	4.7
274.38913	0.4
275.03659	0.7
285.20755	1.2
287.14026	3.8
287.22321	31.0
288.22522	1.5
293.04608	3.6
293.07825	0.6
295.06219	3.6
299.22287	0.8
301.23901	0.8
311.05658	1.4
329.06540	0.6
329.15033	0.8
329.23355	1.4
403.11905	0.7
408.06998	0.5
431.26532	17.4
449.27579	37.3
450.28067	3.3
491.28680	100.0
492.28983	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	491.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62992	0.2
55.01882	1.3
57.03444	1.1
59.01386	26.4
60.01735	0.2
69.03494	0.9
69.82758	0.3
69.83078	0.5
71.01392	12.2
72.99325	1.6
73.02956	3.3
73.03297	0.3
81.03495	0.4
83.01403	2.8
85.02958	5.7
86.00149	0.5
87.00887	2.9
88.98856	0.5
89.02444	1.3
95.01434	1.1
97.03008	1.1
98.22633	0.3
99.00932	1.1
99.08209	0.3
101.02461	5.8
101.03082	0.4
109.03024	1.1
111.00935	1.1
111.08252	0.2
112.01723	0.7
113.02470	3.4
119.03559	0.5
121.02985	0.2
123.04539	0.5
124.01734	1.1
125.02473	1.9
129.09253	0.3
133.02965	1.8
134.03793	0.5
135.04539	12.1
141.12914	0.8
143.03482	0.3
149.02475	0.4
151.04082	0.3
151.92667	0.3
161.02467	4.9
162.02898	0.3
179.03516	8.0
180.03836	0.4
183.68831	0.2
185.02582	0.7
197.04491	0.4
237.05487	0.4
239.07253	0.3
241.21849	0.6
265.05215	0.3
267.06662	1.9
269.21246	2.0
270.21518	0.3
271.02524	1.5
285.20828	0.8
287.22308	30.9
288.22650	1.5
293.04666	0.8
295.06149	0.5
299.01978	3.4
299.22388	1.0
300.02460	0.3
301.23886	0.7
311.05618	1.9
312.05966	0.3
313.03665	0.4
314.04327	4.3
315.04715	0.3
321.04324	0.4
329.06677	6.3
329.23297	1.3
330.07025	0.3
405.13727	0.3
413.25269	0.5
431.26523	19.1
432.26785	1.6
449.27609	40.0
450.27963	3.0
473.27557	0.5
491.28668	100.0
492.29001	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	492.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48602	0.7
54.05666	0.6
69.56731	2.3
70.92788	0.6
72.99313	3.6
79.91245	0.8
109.02962	5.5
112.75396	0.8
132.02214	2.9
133.02974	32.0
134.03261	0.8
135.04543	9.6
136.00438	0.6
159.04622	1.1
161.02463	100.0
162.02844	3.1
170.06117	6.8
179.03548	4.2
181.05324	0.9
182.06171	1.9
183.03296	1.0
185.02437	4.4
196.04041	0.8
197.04822	3.0
198.05638	7.1
199.02736	1.3
199.43947	0.7
208.04050	0.7
209.04869	2.4
212.03516	0.9
214.05177	1.0
216.03090	1.7
224.03613	0.8
225.04298	3.8
226.05116	19.0
227.05844	1.0
228.03152	2.5
230.04715	0.8
234.56290	0.9
239.05882	3.6
240.03076	9.9
241.03796	11.1
242.04607	16.1
243.01682	1.6
244.06171	19.6
245.06389	0.8
252.03004	1.5
253.03830	89.3
254.04555	32.6
255.05035	1.3
258.04077	2.7
269.03299	15.4
270.04074	12.6
271.04672	1.6
293.04630	0.8
294.05020	1.3
295.06119	5.0
298.03607	60.1
299.03778	3.2
312.05063	1.4
313.06970	1.0
315.03891	1.3
330.06189	15.8
331.06317	0.9
414.77805	0.7
444.43723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.8
59.01385	8.4
60.73270	0.6
61.98837	100.0
69.20371	2.8
69.20773	1.5
71.01392	2.3
72.99319	3.5
73.02921	0.9
76.11194	0.7
85.02979	1.4
87.00904	1.4
89.02471	0.7
99.04550	1.5
101.02496	1.7
109.02954	6.0
109.48466	0.7
112.98820	4.2
113.02489	1.2
117.03424	1.4
118.03817	0.8
119.28060	0.6
121.02998	0.7
123.04588	1.3
124.82131	0.6
133.03001	2.8
134.03778	6.9
135.04549	25.2
136.04863	8.4
149.02487	0.9
149.06108	0.9
151.04039	1.2
161.02490	8.7
162.02936	2.0
163.04037	0.8
166.35558	0.6
172.10431	0.7
175.04091	1.0
178.02686	0.7
179.03503	4.7
180.03897	1.5
185.02524	2.4
185.11996	0.7
186.03206	1.0
193.05089	3.8
197.04623	2.3
233.04607	2.6
256.07230	0.9
267.06503	0.8
268.07117	1.1
286.08142	0.9
295.05991	5.1
307.04614	3.9
331.08258	1.6
331.97324	0.8
357.06305	1.2
424.30493	0.7
429.21341	8.5
430.21542	1.5
491.29144	1.2
492.29300	2.9
493.30090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11002	0.7
52.22356	0.7
59.01389	4.3
69.03450	1.9
70.76031	1.4
72.98910	0.9
72.99319	15.3
75.32661	0.8
83.01434	0.9
95.01405	1.3
97.02946	1.8
99.04523	1.0
101.02437	1.0
107.01389	1.4
107.05006	1.4
108.02169	2.1
109.02969	98.9
110.03269	1.4
113.02452	1.3
116.92943	1.2
118.95002	0.8
119.05025	1.7
121.02933	3.6
123.00887	6.3
123.04536	7.3
124.01680	16.1
125.02468	42.6
126.02747	1.1
133.02983	11.8
134.03717	3.4
135.04541	39.7
136.04826	1.3
137.02423	2.1
139.00383	1.0
145.02931	2.2
147.04582	5.9
149.17276	0.9
149.99606	29.3
151.00305	2.5
151.04051	1.0
153.01913	1.8
154.02708	1.3
157.03006	6.3
158.03702	2.4
159.04538	22.1
161.02467	29.7
163.04068	1.2
167.03552	1.3
168.00667	66.7
169.01450	5.8
173.02455	8.1
175.04054	3.9
177.05501	2.2
179.03517	13.7
185.02461	68.6
186.03214	11.3
187.00356	1.0
187.03864	0.9
197.04622	10.4
203.03526	8.5
221.06168	1.3
225.05531	1.6
237.05794	0.9
239.07094	2.2
240.87958	0.9
249.05571	1.6
251.07219	0.9
253.04976	2.4
267.06665	4.6
269.08109	3.4
276.04330	1.1
277.05151	4.4
280.03540	1.5
293.04507	2.6
294.05252	1.1
295.06158	100.0
296.06445	5.7
313.06619	7.7
323.07736	1.7
331.06732	61.9
332.06891	2.5
359.17862	0.8
452.02313	0.8
465.40982	0.8
475.08704	1.1
484.14331	0.9
493.09808	80.8
494.10178	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	493.1148
Annotation	Salvianolic acid A
Peak:m/z	Relative Intensity
53.03058	0.6
59.01384	8.6
60.01691	1.0
71.01398	0.9
72.99313	12.6
78.25877	0.6
81.03448	0.6
87.64698	0.6
90.37103	0.6
93.03505	0.9
98.22708	1.3
101.02464	0.9
107.05007	1.1
108.02181	1.8
109.02964	91.5
110.03282	1.3
114.75791	0.6
117.03505	0.8
121.02953	2.7
123.04552	6.3
124.01624	1.1
125.02442	2.3
127.47318	0.8
129.03506	1.1
132.02200	0.6
133.02972	1.8
134.03749	2.0
135.04539	28.1
136.04938	0.9
145.02972	3.3
147.04567	4.4
149.99574	2.1
151.03947	0.8
157.02962	5.1
158.03743	1.8
159.04532	17.5
161.02505	5.3
168.00648	5.1
173.02429	7.4
175.03972	4.6
177.05588	1.2
179.03520	9.0
180.03844	1.0
185.02455	62.5
186.03188	9.9
197.04559	8.9
197.06183	1.1
203.03491	8.8
221.06032	1.3
223.07651	0.7
224.04858	1.1
225.05579	2.0
232.05257	1.0
233.06136	0.8
236.04605	0.7
237.05560	0.9
239.07172	2.0
248.04817	1.2
249.05562	2.5
250.06268	1.0
251.07205	1.5
252.04285	1.3
253.05049	2.6
265.05054	0.9
267.06543	4.0
269.08160	2.6
276.04211	0.7
277.05127	4.9
280.03772	1.7
293.04568	2.3
294.05469	0.8
295.06146	100.0
296.06552	6.9
313.07297	8.5
331.06625	4.3
437.05106	0.6
451.32904	1.8
493.09995	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	493.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64040	0.5
69.16572	3.2
69.16892	0.5
72.99319	13.3
78.02443	0.5
80.46361	0.4
81.03476	0.6
93.03455	1.0
107.05035	0.6
108.02206	1.9
109.02966	100.0
110.03280	1.5
119.05025	0.6
121.02970	1.7
123.04533	6.0
129.03461	0.9
134.03752	1.7
135.04544	23.8
136.04837	0.7
141.03467	1.0
145.02997	2.8
147.04543	4.7
151.04059	0.7
157.02980	7.0
158.03755	3.2
159.03181	1.1
159.04533	21.5
161.02463	0.8
173.02455	8.3
174.02959	0.5
175.04051	4.6
177.05644	1.9
179.03513	8.3
180.03934	0.5
185.02457	67.0
186.03221	11.9
187.03944	1.2
197.04565	7.2
203.03529	10.6
221.06065	1.1
224.04724	1.0
225.05522	1.4
233.05864	0.6
237.05577	1.0
239.07170	1.7
248.04865	0.8
249.05605	2.8
250.06421	0.5
251.07254	1.0
253.05013	2.4
254.05836	0.6
260.04773	0.7
265.05063	0.8
266.05798	0.7
267.06647	3.4
269.08246	2.0
276.04352	0.8
277.05063	4.9
278.05829	1.1
280.03796	1.6
293.04568	1.9
294.05472	0.9
295.06143	85.4
296.06558	4.9
313.07242	6.7
341.54218	0.5
342.42203	0.5
357.46365	0.5
392.13513	0.5
469.30798	0.6
493.11658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1149
Annotation	Salvianolic acid A
Peak:m/z	Relative Intensity
54.87265	0.4
59.01388	5.2
70.58852	0.6
71.01398	0.8
72.99320	12.8
73.02939	0.5
81.03473	0.6
93.03473	0.8
101.02445	0.8
101.04003	0.4
107.05051	0.9
108.02190	2.0
109.02966	100.0
110.03297	2.2
112.98797	0.5
113.02509	0.5
117.03502	0.4
118.97332	0.4
121.02976	1.6
123.04534	7.1
129.03476	1.1
131.05031	0.7
133.02979	0.6
134.03766	1.9
134.47968	0.4
135.04547	23.9
136.04851	0.7
141.03476	0.6
145.02983	2.6
147.04549	5.0
151.04076	0.8
157.02986	5.9
158.03784	2.3
159.04533	22.2
160.04874	0.7
161.02477	2.3
163.04108	0.7
165.92661	0.4
173.02463	7.3
174.03181	0.9
175.04021	5.5
177.05586	1.3
179.03542	8.8
185.02464	65.9
186.03226	10.0
187.03915	0.7
193.05054	0.5
196.05408	0.6
197.04585	8.8
203.03526	10.0
204.03970	0.4
221.06105	1.3
224.04910	0.9
225.05566	1.7
232.05156	0.5
233.06042	0.5
237.05643	0.6
239.07158	1.5
248.04790	0.8
249.05655	2.7
250.06308	0.4
251.07266	0.6
253.05087	3.8
254.05786	0.5
265.05054	0.9
266.05890	0.4
267.03891	0.5
267.06616	3.2
269.04733	1.0
269.08203	1.7
276.04428	0.7
277.05118	3.8
278.05896	1.1
279.03088	0.7
280.03751	1.7
293.04684	1.8
294.05246	0.8
295.06140	99.7
296.06485	5.5
313.03662	0.8
313.07190	9.4
314.07452	0.5
433.28076	1.6
447.22183	0.5
451.29523	0.4
493.11490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53637	0.5
58.92061	0.5
67.11465	0.4
69.91369	1.2
72.99316	11.8
77.24730	0.5
77.84829	0.5
90.84111	0.5
98.21813	0.6
108.02193	1.4
109.02963	82.5
110.03339	1.3
121.02975	1.5
123.04536	5.6
127.81399	0.5
129.03441	0.6
131.05075	0.9
134.03746	2.1
135.04543	19.5
141.21606	0.7
141.23593	0.7
145.02980	2.5
147.04544	3.7
157.02995	4.5
158.03769	2.1
159.04526	17.1
159.05783	1.2
161.02390	1.2
173.02437	6.9
174.03224	1.0
175.04012	3.7
177.05554	1.1
179.03514	6.9
185.02455	62.8
186.03242	9.2
187.03931	1.0
196.23038	0.5
197.04564	8.4
197.06184	0.8
203.03520	10.3
221.06018	1.1
224.04836	1.2
225.05615	1.4
239.07159	1.0
249.05602	2.4
251.07057	0.8
253.05119	3.0
265.05084	0.7
267.06705	3.5
269.08191	1.7
276.04385	0.7
277.05066	3.8
280.03787	1.5
293.04617	1.6
294.05240	0.9
295.06140	100.0
295.37317	0.5
296.06528	4.4
313.07156	7.6
320.38531	0.7
325.77246	0.6
406.97598	0.5
475.21667	0.6
493.11728	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	493.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24401	1.9
72.99317	11.5
79.90170	0.4
93.03471	0.4
98.22756	0.6
107.05038	0.6
108.02169	1.9
109.02965	88.5
110.03299	1.5
117.03448	0.6
121.02959	1.9
123.04544	6.0
129.03494	0.7
131.05081	0.8
134.03735	1.7
135.04539	23.5
136.04877	0.8
141.03517	0.5
145.02942	1.9
147.04541	3.5
151.04019	0.5
157.02953	5.4
158.03764	2.7
159.04536	17.4
160.04886	0.6
161.02477	0.6
163.04045	0.4
173.02461	6.9
174.03032	0.7
175.04018	3.8
177.05623	1.2
179.03514	7.3
185.02455	64.5
186.03236	10.3
187.03712	0.5
193.12631	0.4
196.18784	0.4
197.04561	7.1
203.03519	11.1
204.03719	0.5
221.06000	0.8
222.06844	0.5
224.04866	1.2
225.05589	0.8
239.07190	1.1
248.04723	0.7
249.05536	2.0
250.06212	0.5
251.07246	0.5
253.05075	3.6
265.05151	0.8
266.05701	0.5
267.06668	2.6
269.08301	1.9
277.05103	3.1
278.05707	0.8
279.03116	0.5
280.03809	1.4
293.04614	1.0
294.05310	1.0
295.06143	100.0
296.06491	6.5
313.07242	9.4
321.97266	0.4
493.11395	2.1
499.22467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
64.82455	0.1
67.01875	0.1
68.91290	0.1
72.99316	12.9
80.83452	0.1
81.03467	0.5
91.01910	0.4
91.05525	0.2
93.03458	0.7
98.21913	0.5
101.04009	0.1
107.05021	0.6
108.02192	2.5
109.02965	100.0
110.03291	1.8
110.94502	0.1
115.00400	0.2
115.05555	0.4
117.03455	0.7
119.05039	0.5
121.02971	1.9
122.03754	0.2
123.04543	6.5
124.04842	0.2
129.03502	0.8
130.04288	0.2
131.05052	0.8
132.02148	0.2
133.01382	0.2
133.02975	0.4
134.03763	2.1
135.04541	26.5
136.04837	0.6
137.02466	0.2
141.03497	0.7
145.02975	3.3
146.03682	0.1
147.04536	5.2
148.04828	0.1
148.23718	0.2
149.02419	0.1
151.04065	0.5
157.02965	6.3
158.03746	2.7
159.04533	20.9
160.04895	0.6
161.02467	1.4
163.04042	0.6
165.07071	0.1
173.02454	8.4
174.03168	0.8
175.04018	4.9
176.04427	0.2
177.05580	1.6
179.03514	8.7
180.03859	0.2
185.02454	69.5
186.03207	11.8
187.03850	0.9
188.14020	0.1
193.06593	0.4
195.04488	0.2
196.05334	0.4
197.04572	8.3
198.04895	0.2
201.01961	0.2
203.03516	9.7
204.03885	0.2
209.06134	0.2
211.04062	0.2
219.04733	0.1
220.05203	0.2
221.06081	1.6
222.06805	0.2
223.07617	0.4
224.04791	0.9
225.05609	1.4
232.05269	0.4
233.06073	0.4
237.05623	0.6
238.06398	0.3
239.07172	1.5
248.04842	0.8
249.05603	2.2
250.06303	0.6
251.03444	0.2
251.07196	0.8
252.04279	0.5
253.05084	3.0
254.05762	0.5
260.04813	0.4
261.05453	0.1
265.05023	0.8
266.05737	0.7
267.06628	3.5
268.06955	0.1
269.08255	1.7
270.08582	0.2
276.04294	0.6
277.05066	4.1
278.05823	1.2
279.03061	0.6
280.03738	1.2
293.04633	1.4
294.05301	0.7
295.06134	97.8
296.06464	6.0
313.07211	8.5
314.07520	0.6
383.07956	0.2
493.11337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1146
Annotation	Salvianolic acid A
Peak:m/z	Relative Intensity
59.01379	0.3
69.86068	0.3
69.86420	0.8
72.99314	13.6
81.03470	0.7
91.01903	0.4
91.06658	0.3
93.03476	0.6
105.03515	0.3
107.05027	1.0
108.02169	2.1
109.02962	100.0
110.03320	2.3
115.05552	0.3
117.03469	0.9
119.05038	0.6
121.02964	1.7
123.04541	6.6
129.03452	1.1
131.05048	0.8
132.02171	1.0
133.02986	2.4
134.03772	3.2
135.04538	34.2
136.04861	0.9
137.02481	0.2
141.03493	0.4
145.02963	3.2
147.04533	5.4
151.04012	0.7
157.02959	6.0
158.03749	3.1
159.04530	23.4
160.01736	1.6
160.04814	0.4
161.02460	7.9
162.02924	0.4
163.04077	0.3
173.02444	6.9
174.03075	0.7
175.04007	5.2
176.14343	0.2
177.01993	0.5
177.05606	1.3
177.06914	0.2
179.03522	9.5
180.03889	0.3
185.02451	58.3
186.03212	9.6
187.03850	0.6
187.74463	0.3
197.04572	9.8
197.06371	0.5
202.02782	0.3
203.03514	11.2
205.06450	0.2
209.06111	0.3
221.06175	1.1
224.04800	0.9
225.05583	1.2
232.05435	0.4
237.05606	0.4
239.07089	1.5
248.04802	0.7
249.05611	2.0
251.07101	1.1
252.04318	0.5
253.05067	3.2
254.05835	0.6
260.04620	0.3
261.58331	0.2
265.05042	0.7
266.05795	0.9
267.06656	3.3
268.07089	0.3
269.08176	2.1
276.04306	0.7
277.05029	4.3
278.05713	0.8
279.03070	0.7
280.03793	1.5
293.04645	1.5
294.05252	0.8
295.06131	96.5
296.06494	6.3
313.07181	8.5
314.07440	0.5
359.07834	1.7
362.29138	0.3
493.11487	2.3
496.89273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.7
60.60092	0.8
61.98811	0.8
69.18217	4.5
71.01408	0.8
72.99315	79.9
73.99708	1.1
86.87316	0.8
89.38431	0.8
96.96016	14.1
98.22683	1.7
109.02969	17.7
121.02955	7.8
122.03799	1.2
123.04564	10.0
133.02963	26.0
135.04541	35.2
136.04875	1.1
137.02466	1.1
137.06120	2.2
145.03014	2.0
146.03732	1.8
147.04535	15.5
150.03247	1.2
151.03990	1.2
159.04504	4.7
161.02458	84.1
162.02834	2.7
163.04071	2.0
165.05592	3.9
175.04007	1.6
179.03551	8.2
185.02463	3.6
197.04483	2.4
203.03465	1.0
223.22667	0.8
239.07146	1.5
240.07867	1.1
241.04974	1.7
242.05870	6.4
243.06520	1.1
245.76416	0.9
252.08025	1.0
253.05324	1.0
254.05887	3.6
255.06616	1.6
257.08218	26.9
258.08527	1.6
259.09702	1.8
267.06558	2.1
269.08188	12.3
287.09274	9.7
295.06174	9.2
295.09494	1.5
313.07184	3.6
331.08255	100.0
332.08539	5.7
359.07596	2.1
473.69080	0.9
493.11246	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	493.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44231	0.6
59.01386	7.9
64.69351	0.7
71.01398	2.2
71.42752	1.0
72.99316	18.0
73.99670	0.7
80.86276	0.6
83.01459	0.9
87.00861	0.8
93.03506	0.9
95.05044	0.7
96.96030	1.5
99.04537	1.0
101.02451	1.3
105.03514	1.6
107.05047	1.2
108.02230	1.3
109.02964	58.6
110.03322	1.2
112.98822	2.3
113.02469	0.7
117.03488	2.0
121.03010	1.5
123.04546	9.5
131.05092	0.7
132.02194	9.0
133.02972	25.6
134.03784	7.1
135.04543	100.0
136.04863	2.9
137.02431	1.2
141.03540	0.8
144.86598	0.7
145.02940	3.8
147.04544	4.9
149.02522	0.8
149.06122	1.5
150.86130	0.6
151.04045	5.1
157.02986	3.0
158.03778	2.3
159.04535	13.4
160.01675	13.9
161.02463	96.6
162.02907	2.4
163.04021	1.1
173.02423	4.4
175.04025	3.6
177.01912	3.3
177.05670	1.7
178.02798	1.7
179.03516	26.4
180.03893	0.8
185.02461	32.5
186.03224	5.6
193.05078	2.3
194.05507	0.8
197.04565	19.6
203.03520	6.9
210.38478	0.7
221.04604	2.5
225.05806	0.9
239.07217	2.0
242.40465	0.8
249.05550	1.2
251.03566	0.8
251.07236	2.6
253.05052	2.5
257.43109	0.8
267.06641	2.9
269.04596	2.6
269.08160	2.6
275.85318	0.7
277.05118	3.2
293.04706	1.3
294.04996	0.8
295.06140	82.6
296.06473	4.9
309.05084	1.1
312.86337	0.8
313.03598	9.3
313.07257	7.7
331.08319	4.2
357.06177	1.8
359.07761	20.5
360.08444	1.3
412.63495	0.9
493.11267	2.2
493.20877	25.9
494.21228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25382	0.5
59.01384	7.8
67.01875	0.6
69.40049	0.5
71.01383	5.5
71.46532	0.7
72.46362	0.5
72.99316	13.8
73.02915	1.1
83.01358	0.6
85.02928	1.4
89.00327	1.0
89.02456	3.9
90.13925	0.5
91.01856	0.7
91.05514	0.7
93.03461	3.1
95.01364	0.5
101.02459	3.2
106.00617	1.5
108.02182	0.7
109.02963	25.2
110.03287	0.6
111.00882	0.7
113.02435	1.2
117.03484	0.8
119.03522	1.1
121.02968	40.8
122.03218	0.8
123.00893	3.1
123.04530	5.9
127.00352	0.8
132.02170	0.8
133.02914	2.0
134.03702	2.0
135.04544	23.0
136.04817	0.9
137.02444	3.4
137.99460	0.6
138.03236	3.9
139.00348	0.9
139.04034	2.7
145.02988	4.4
147.04509	2.9
151.06078	3.3
153.05591	21.9
154.05907	0.7
157.03008	0.9
157.23454	0.5
158.03680	1.0
159.04523	5.3
160.01598	1.1
161.02495	4.9
166.99823	2.0
173.02458	14.6
174.03067	1.0
175.04039	1.0
177.05508	0.7
179.03522	8.5
180.03998	0.9
181.01396	5.3
182.02222	4.7
183.02965	2.0
184.69531	0.6
185.00859	0.8
185.02457	13.0
186.03224	2.6
196.03775	3.3
196.05299	0.6
197.04562	67.5
198.04950	2.6
203.03571	1.9
209.06190	1.1
211.06013	3.5
211.07808	0.7
221.06143	2.1
223.07655	0.9
224.03107	3.8
224.05159	0.9
235.04378	0.7
237.05553	0.8
239.05516	21.6
248.04707	0.9
249.05595	2.6
250.06265	1.5
251.07144	1.6
252.04224	1.0
253.05049	1.0
262.07419	0.5
266.05817	1.6
267.06625	4.6
269.06342	1.3
269.08228	2.6
277.04987	2.9
278.05789	0.8
280.03860	0.8
285.06186	0.6
293.04407	0.7
294.05344	0.7
295.06143	100.0
296.06479	7.9
299.07767	6.6
313.07162	4.9
341.08746	2.1
359.07657	0.8
493.15817	39.1
494.16171	2.6
517.72626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70137	1.7
57.03444	8.2
59.01387	34.1
61.98833	4.2
65.94960	1.5
69.42322	9.0
71.01402	4.2
72.99318	26.2
78.17303	1.6
82.62601	1.5
84.99309	6.6
85.06589	6.9
87.00883	11.2
89.03986	2.0
95.05016	2.8
96.95981	1.8
98.22671	2.7
99.04523	8.6
101.02428	4.4
106.04386	1.7
109.02972	15.1
112.98822	100.0
113.02441	2.1
117.03480	3.5
123.04532	6.5
125.02430	5.2
130.99873	2.9
132.02220	3.7
133.02956	17.6
134.03761	84.0
135.04553	59.3
136.04886	4.1
137.02483	3.9
137.05116	2.4
145.02948	2.9
146.03801	2.5
147.04526	3.0
149.05243	1.7
149.06119	16.2
151.03987	6.2
159.04526	5.5
160.01691	17.1
161.02467	50.8
162.03247	12.2
163.04045	2.4
163.84065	1.9
172.05455	2.1
173.02451	2.3
173.06117	3.7
175.04018	16.4
176.04794	3.1
177.02051	2.6
177.05536	4.4
178.02762	12.1
179.03479	18.0
185.02483	6.9
185.11845	11.8
186.03200	2.7
187.07668	12.4
190.02747	6.2
191.07141	5.6
193.05070	61.4
197.04601	10.4
201.05638	2.7
203.03481	2.6
205.05121	11.4
218.02225	3.7
230.02170	3.9
231.10300	4.2
233.04596	49.8
239.24236	1.8
245.04507	4.3
267.06613	2.0
269.07953	2.0
289.03680	3.2
293.10391	10.0
295.06091	24.1
307.04645	73.7
307.23856	1.8
308.04947	3.9
331.08212	7.8
339.92984	2.1
357.06284	2.0
359.07669	6.1
455.13654	6.3
493.11005	3.3
493.20889	2.4
493.29996	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	493.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.4
61.23670	0.7
66.25230	0.7
68.78097	0.9
71.01386	3.1
72.99311	5.4
73.02953	1.5
83.01389	1.0
85.02948	2.1
96.96049	1.1
101.02417	1.6
109.02964	31.6
110.03263	0.9
111.00921	0.7
113.02451	1.7
121.02962	1.3
123.04513	2.5
132.02190	0.9
133.02974	25.3
134.03731	3.1
135.04546	18.0
147.04514	1.7
157.02980	2.0
158.03746	1.2
159.04530	7.7
161.02458	100.0
162.02846	2.8
163.04050	1.2
173.02449	3.0
175.03966	1.3
179.03510	6.8
185.02458	22.7
186.03166	3.4
197.04578	3.2
203.03502	3.1
204.07494	0.7
210.06746	0.9
212.04851	1.0
213.05615	0.9
213.12891	1.2
228.07875	2.4
229.12326	2.0
239.10814	7.8
241.08725	16.6
242.09579	1.9
244.11095	4.1
251.10649	1.8
253.04913	1.2
253.08714	5.4
254.09315	1.1
255.10216	1.1
256.10971	1.3
257.11893	17.4
258.12247	1.6
267.06631	1.7
268.10938	1.4
269.11853	13.5
271.09763	20.7
272.10242	1.2
277.04968	2.3
283.09726	1.4
286.12143	13.7
287.12921	14.4
295.06155	34.8
296.06415	2.7
313.03741	5.7
313.07092	3.1
313.10434	4.6
315.18481	0.9
330.11179	4.6
331.11902	31.8
332.12201	2.5
387.43420	1.0
433.28183	2.1
451.29370	1.2
493.16904	39.7
493.20895	44.3
494.17523	3.6
494.21387	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	493.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22099	1.3
57.03452	6.0
59.01384	18.7
69.18399	5.2
71.01380	2.5
72.99317	19.5
73.02965	1.6
84.99330	2.9
85.02963	4.0
87.00911	7.8
89.02484	1.4
99.04536	6.5
101.02458	3.7
108.02210	1.6
109.02963	36.3
111.00897	1.7
112.98827	43.7
116.92846	2.1
117.03480	4.5
119.05090	1.8
121.02908	1.2
123.04534	6.0
125.02455	2.7
130.99831	2.0
132.02209	2.7
133.02972	11.3
134.03761	100.0
135.04556	42.7
136.04852	4.6
137.02281	1.6
139.11264	1.3
145.02992	2.6
147.04520	3.9
148.05295	1.6
149.06110	9.2
150.03375	1.7
151.04027	5.1
157.02899	1.6
158.03758	1.6
159.04546	7.6
160.01674	9.8
161.02463	34.0
161.03726	2.2
162.03247	7.3
163.03996	2.5
173.02464	3.2
175.04015	13.1
176.04701	2.0
177.05519	3.4
178.02747	4.6
179.03497	12.9
185.02455	23.5
185.11832	21.4
186.03098	5.5
190.02754	4.4
191.07135	3.1
193.05081	62.6
194.05444	2.8
197.04543	8.8
199.13469	2.1
202.02740	3.0
203.03461	5.3
205.05087	7.3
209.11786	1.5
218.02235	3.1
221.06081	1.5
227.12946	2.6
230.02138	1.6
233.04588	30.5
234.04733	1.8
235.05885	1.7
245.04582	2.3
263.05637	1.8
267.06561	2.3
277.04886	2.1
289.03589	2.0
293.10410	3.3
295.06134	41.6
296.06467	3.0
307.04633	40.7
308.04825	1.8
313.07141	4.0
317.12494	6.4
331.08322	7.3
359.07739	3.2
362.49323	1.3
373.46457	1.4
493.21445	2.3
493.29538	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	493.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89101	0.4
59.01383	3.7
71.01389	2.7
72.99320	1.5
73.02921	1.1
79.25027	0.3
79.63988	0.3
83.01377	0.4
85.02970	1.7
94.93195	0.3
101.02451	2.2
105.03443	0.6
108.02159	0.4
109.02956	9.1
113.02449	1.2
114.14200	0.3
117.03471	1.0
121.02934	0.3
123.04522	0.9
132.02180	1.1
133.02969	25.7
134.03685	1.3
135.04538	9.1
137.02405	0.6
137.65036	0.3
145.02972	0.5
147.01166	0.4
147.04576	0.6
151.04082	0.4
157.02942	0.4
159.04529	2.2
161.02458	100.0
162.02792	2.7
173.02483	0.9
175.04059	0.3
179.03503	4.5
185.02458	6.9
186.03093	1.0
197.04510	1.4
203.03558	0.8
228.07974	0.4
239.10793	1.4
241.08746	3.0
244.11099	0.8
249.05608	0.4
253.05022	0.4
253.08809	0.8
257.11868	3.8
257.13962	0.3
258.12476	0.4
268.11127	0.3
269.09067	0.5
269.11975	2.5
270.24338	0.3
271.09772	5.2
277.05157	0.5
286.12158	2.9
287.12906	2.6
295.06137	11.0
295.09311	0.6
296.06442	0.7
313.03790	0.7
313.07346	1.0
313.11011	1.0
313.71844	0.3
330.11182	0.8
331.11902	5.6
332.12405	0.4
493.21243	66.1
494.21558	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2451
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
55.01883	0.7
57.01865	0.6
57.03456	1.8
58.00605	1.6
59.01386	100.0
59.87718	0.6
71.01390	52.1
72.99318	3.5
73.02962	1.4
83.01397	1.4
85.02958	10.3
85.03465	0.7
87.00897	1.7
89.02455	64.9
95.01390	4.1
97.02988	0.6
99.00959	1.2
100.17482	0.6
101.02459	24.3
101.03101	1.3
101.16080	0.6
109.02963	4.6
113.02463	17.9
118.76936	0.6
119.03513	20.8
119.04896	0.8
129.01991	2.1
131.03554	2.0
133.03049	0.8
135.04570	1.4
143.03513	3.7
149.04631	1.6
155.93738	0.5
159.04587	1.5
161.02513	2.2
161.04622	2.5
163.04007	1.0
179.05664	4.8
183.04613	0.6
185.02525	2.6
194.88493	0.6
197.09787	1.4
215.14458	1.1
231.17613	3.1
259.17041	24.2
259.19626	1.2
260.17480	1.9
269.19122	25.5
270.19565	0.8
271.20685	4.5
285.18927	0.6
287.20184	14.8
287.23071	1.3
288.20428	1.1
295.06119	4.7
298.15881	1.2
302.44626	0.7
313.07135	0.7
313.18130	31.0
314.18726	2.0
320.13382	0.7
421.22415	3.8
493.24658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2452
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
57.31728	0.2
59.01387	2.9
71.01438	0.8
72.99368	0.9
73.03006	0.7
74.92702	0.2
76.57706	0.2
76.83356	0.2
85.03011	0.4
88.98813	0.2
89.02480	0.3
96.96102	0.2
101.02506	0.4
109.02966	1.3
121.03040	0.3
123.04618	0.9
133.03058	0.9
135.04549	2.4
136.04880	0.4
137.02489	0.2
144.23601	0.2
145.03021	0.3
149.80235	0.2
153.05644	0.9
159.04715	0.2
161.02472	2.4
179.03606	0.6
185.02464	0.5
217.08775	0.5
229.08772	0.6
230.09584	0.9
231.10332	0.3
243.10342	0.5
244.11095	1.2
261.11459	0.4
283.17023	0.3
287.14069	0.3
294.05151	0.4
295.06073	1.6
296.06412	0.2
299.16525	2.8
301.14532	0.4
315.12769	0.3
315.15915	1.9
316.16507	0.5
330.18396	1.1
331.19171	100.0
332.19495	6.7
433.27246	0.2
451.28067	0.4
465.24570	0.3
492.28940	0.3
493.24332	20.6
494.24597	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	493.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31741	0.3
58.02170	0.3
59.01379	0.5
62.96414	0.4
70.90330	0.4
77.88258	0.3
78.95914	12.8
81.45055	0.3
85.96530	0.3
87.22606	0.3
87.98750	0.3
109.02964	0.8
120.96975	2.9
121.30374	0.3
137.00055	0.4
138.98055	5.2
152.99605	10.7
185.02425	0.5
195.00676	5.7
213.01727	7.0
250.50739	0.3
261.22208	0.7
279.23322	100.0
280.23679	5.7
295.06177	1.1
417.71130	0.3
475.24707	27.3
476.25012	2.0
493.25833	6.2
494.26065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	36.4
69.35895	18.8
69.36300	23.8
72.99316	28.0
89.02467	7.5
109.02962	100.0
110.03288	21.6
122.00049	8.7
135.04567	25.6
159.04559	9.6
160.04796	12.9
161.02492	13.4
179.03500	9.9
185.02467	34.6
186.02858	31.6
197.04578	13.4
247.13353	17.9
251.02977	8.1
295.06125	43.9
296.06500	85.4
298.03403	8.0
388.84308	9.3
416.16821	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	494.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
72.99315	5.7
74.08471	0.8
76.32278	0.6
81.03463	2.6
83.05032	8.1
107.05023	1.0
109.02961	23.6
110.03296	6.5
121.02910	0.7
123.04535	1.9
134.03755	1.0
135.04552	11.1
136.04869	3.2
137.02460	0.9
141.76912	0.8
147.04581	1.1
151.69109	0.8
157.02939	1.1
158.03566	0.7
159.04538	3.6
160.04887	1.8
161.02405	1.6
173.02406	1.5
179.03534	3.1
180.03906	1.1
185.02449	12.1
186.02823	8.9
187.03712	1.2
197.04543	4.8
198.04851	1.4
203.03496	2.0
204.03888	0.8
207.15077	0.8
224.17680	1.1
225.16071	5.5
229.20288	0.9
242.18774	1.0
250.05814	0.9
268.06976	1.2
269.08264	1.5
278.05563	1.1
295.06158	16.3
296.06497	20.1
297.06628	1.2
313.07260	1.3
314.07565	1.3
324.26544	1.6
333.22849	2.1
339.05038	2.3
341.08865	1.1
351.24063	1.0
433.31750	4.1
451.32922	100.0
452.33252	10.3
494.10880	1.1
494.33304	1.9
495.15042	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	494.9583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43221	1.3
59.01384	72.6
67.29758	1.1
72.99322	3.5
79.52711	1.2
95.13904	1.1
95.86483	1.3
109.02962	13.3
110.03306	4.1
110.27631	1.4
112.98844	1.5
117.00474	1.6
125.00999	1.3
129.46373	1.2
135.04536	5.6
136.04893	1.7
141.00473	3.3
156.99002	1.3
157.03630	8.0
157.04720	1.5
159.01569	2.2
159.04518	1.4
161.02518	1.7
167.02078	1.6
174.99274	8.9
179.03525	2.8
185.02515	6.0
186.02861	5.4
187.02946	1.2
197.71320	1.2
200.67564	1.4
201.02565	100.0
202.02808	7.3
211.01009	3.3
217.00330	53.4
218.00659	1.7
241.00757	1.4
249.49571	1.2
250.99083	1.8
293.00058	8.2
295.06143	5.9
296.06500	9.0
297.06857	5.5
299.00327	10.9
308.97800	1.5
328.41293	1.3
391.00235	1.5
397.01080	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90968	0.4
55.07219	0.4
59.01393	3.6
63.02438	1.8
63.86674	0.4
64.81084	0.4
71.01398	0.8
71.40664	0.5
72.99316	42.2
73.03018	0.5
79.01949	0.7
81.03507	0.5
83.01396	0.5
85.02988	0.6
87.00874	0.5
93.03491	0.8
95.01431	0.8
95.05099	0.6
99.04570	0.5
101.02495	0.9
105.03522	0.8
107.01426	1.7
107.05090	1.2
108.02234	0.8
109.02966	24.8
110.03304	0.7
112.98869	1.0
115.04050	0.5
115.19100	0.4
119.05083	1.6
121.02982	6.3
122.03774	2.3
123.00907	4.2
123.01584	0.4
123.04539	9.5
124.01680	2.7
124.04898	0.6
125.02486	0.5
126.98251	0.4
133.02966	11.5
134.03763	6.6
135.04547	15.5
136.01723	1.2
136.04936	1.1
137.02461	32.7
138.02843	0.7
139.04019	0.5
145.03056	0.7
147.32057	0.4
149.02458	5.1
150.03226	3.5
150.38818	0.4
151.00404	9.3
151.04021	22.9
152.01140	7.3
161.02463	12.2
161.03723	0.8
162.02982	0.6
163.04042	1.1
175.04066	0.7
177.01952	4.0
178.02748	5.8
179.03528	9.1
180.03905	0.5
181.05130	1.4
191.93291	0.5
193.05113	0.6
197.04564	13.8
197.06349	0.8
201.77681	0.5
233.04446	0.5
243.06726	1.1
259.06067	2.3
271.06149	4.1
287.05634	11.5
288.06100	0.9
295.06024	0.5
305.03146	0.8
305.06677	14.5
306.07034	1.1
315.05145	7.3
316.05396	0.5
333.06186	100.0
334.06491	6.2
359.03900	0.8
471.99045	0.5
495.09348	15.3
496.10059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34675	0.6
63.02391	1.8
72.99314	33.8
88.52582	0.5
93.03476	0.7
106.78284	0.5
107.01329	0.7
107.05060	0.6
108.02200	0.8
109.02956	19.9
109.03699	1.1
109.33025	0.5
110.03300	0.9
111.69923	0.5
111.80328	0.5
117.00211	0.6
119.05032	1.7
121.02207	0.8
121.02960	4.7
122.03734	1.8
123.00900	3.8
123.04537	8.4
124.01676	1.8
132.02190	0.9
133.02972	8.0
134.03761	6.8
135.04538	11.6
136.01697	1.0
137.02463	33.0
138.02773	0.7
145.02948	0.7
149.02426	4.4
150.03249	2.0
151.00383	7.8
151.04021	21.6
152.01175	5.1
152.04346	0.8
160.01689	1.9
161.02446	2.6
163.04008	1.1
171.06984	0.6
176.44012	0.6
177.01932	3.8
178.02721	5.9
179.03490	6.4
181.05070	1.2
197.04573	11.0
229.21724	0.6
259.06076	0.9
269.04550	0.9
271.06134	2.3
287.05719	6.6
292.28690	0.6
297.04083	1.9
305.06720	12.3
306.07077	0.8
315.05136	7.8
333.06183	100.0
334.06628	5.8
380.56345	0.7
495.09296	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	495.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
63.32584	0.4
72.99319	30.4
79.75776	0.5
98.22703	1.2
107.05003	0.5
109.02967	1.1
119.05333	0.4
123.04552	12.1
127.16674	0.4
132.02206	0.9
133.02979	17.5
134.03795	1.0
135.04547	25.0
136.04852	0.5
138.78758	0.4
151.04033	2.3
153.01926	0.9
161.02467	100.0
162.02785	3.1
177.31294	0.4
179.03525	26.2
180.03893	0.8
197.04570	51.2
198.04924	1.4
223.02551	0.7
225.68881	0.5
233.90198	0.4
261.92624	0.4
287.05447	0.8
315.05298	0.7
333.06189	35.7
334.06564	1.8
359.07764	45.8
360.08063	3.7
490.15802	0.5
495.09082	2.8
496.09964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85616	0.2
59.01388	3.0
68.99098	0.3
71.41016	0.3
72.99316	30.5
79.79258	0.3
91.05547	0.3
93.03497	0.3
98.48710	0.2
103.04032	0.9
107.05047	0.7
109.02982	1.3
112.98838	0.3
123.04540	11.9
124.04814	0.4
132.02190	0.8
133.02969	19.6
134.03685	1.0
135.04541	28.4
136.04857	1.1
137.02423	0.3
151.04016	2.1
153.01964	0.8
161.02461	100.0
162.02802	3.6
165.01956	0.4
174.90646	0.2
175.03993	0.3
179.03513	26.0
180.03854	1.0
186.02901	0.3
197.04567	47.7
198.04871	1.8
223.02478	0.7
233.04617	0.3
256.36865	0.3
279.12320	0.4
287.05743	0.8
315.05127	1.1
316.60388	0.3
333.06186	28.4
334.06567	1.9
358.17755	0.3
359.07751	41.8
360.08069	3.4
495.09497	2.5
501.96863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1147
Annotation	tarocin A1
Peak:m/z	Relative Intensity
59.01370	0.9
68.99386	1.0
68.99801	0.8
69.03455	1.4
69.38857	2.8
69.39257	2.1
71.01376	3.6
73.02942	1.6
78.01015	0.8
81.03477	2.3
81.83637	1.0
83.01391	1.9
85.02956	1.1
87.00845	1.1
93.03506	1.0
95.01383	1.1
97.02944	1.1
98.21892	1.8
101.02466	1.9
107.01384	3.0
108.02184	76.5
109.02970	45.4
110.03320	2.2
111.00887	1.8
113.02457	1.9
115.53161	0.9
116.70650	0.8
121.02957	5.0
123.00888	7.3
123.04536	1.9
124.01675	2.9
125.02425	1.0
127.00356	1.5
135.00931	2.6
135.04527	3.1
136.98805	1.8
137.02440	5.3
138.03221	8.6
139.00395	1.2
139.04024	4.0
152.01173	72.6
153.01965	28.5
153.05583	3.9
154.02658	1.2
164.29973	0.8
166.99905	2.7
167.03441	1.1
168.00630	2.9
169.01399	1.0
181.01474	1.7
182.02255	8.6
183.03000	17.3
185.02477	3.1
186.02789	1.8
197.04597	8.3
225.04120	1.3
242.51363	1.1
295.06183	3.4
296.06320	2.6
297.06750	5.0
312.04745	1.4
315.07172	6.3
326.06329	1.7
327.07233	14.4
341.08759	4.6
451.12344	6.4
463.08853	3.7
495.11481	100.0
496.11777	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	495.1512
Annotation	Aquaticoside B
Peak:m/z	Relative Intensity
58.00599	1.9
59.01386	6.7
59.22002	1.2
68.99847	1.1
69.21773	5.4
69.22170	2.0
71.01377	9.6
71.18475	1.0
72.99308	5.0
73.02956	2.4
73.57784	1.0
82.64086	1.1
83.01405	2.5
85.02950	4.9
87.00880	3.5
89.02468	1.7
89.06248	1.2
92.02705	4.8
93.03471	45.4
95.01395	2.0
96.99332	1.4
99.00936	1.5
101.02470	8.6
108.02180	2.9
108.59214	1.3
109.02979	9.8
110.03300	2.6
113.02454	5.8
121.02953	4.3
122.03743	4.2
123.04549	5.8
134.03716	1.2
135.04538	9.4
136.01700	5.8
136.04897	2.0
137.02464	98.2
137.06073	3.2
138.02821	2.1
145.02960	5.1
147.04559	2.9
149.02463	17.7
150.03246	72.3
151.03078	1.2
151.04054	18.8
161.02495	6.2
162.03284	7.1
163.03981	4.2
164.04794	6.5
165.05586	42.3
166.05867	1.6
177.05728	1.3
179.03535	6.4
180.04283	3.2
181.05013	1.3
185.02443	3.2
186.02821	2.5
187.03018	1.4
193.05153	1.4
195.06676	15.3
197.04448	1.8
209.04543	1.7
221.04619	1.7
239.05707	1.4
281.06705	100.0
282.07034	4.3
295.05765	2.3
296.06381	2.7
297.06778	4.6
326.60248	1.3
333.06372	1.4
350.09717	1.2
421.58359	1.2
447.13022	97.1
448.13376	8.8
459.12946	2.2
477.13977	4.6
495.15121	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	495.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96563	0.6
55.01886	0.9
56.85196	0.6
59.01114	1.2
59.01382	9.0
64.61900	0.7
70.74404	0.9
71.01389	4.5
72.30585	0.6
72.99332	1.9
73.02942	1.3
83.01376	1.3
85.02959	2.2
87.00893	1.9
89.02460	2.1
89.03978	0.8
92.02695	6.1
93.03465	46.0
94.45999	0.7
95.01390	1.8
99.04539	0.7
101.02462	3.9
107.05090	1.5
108.02183	2.0
109.02965	5.9
109.60197	0.6
110.03296	2.1
111.03355	0.8
113.02454	3.2
117.03474	7.2
119.05038	2.1
121.02977	2.4
123.04546	2.2
126.60848	0.7
133.02972	3.2
134.03755	2.1
135.04564	7.0
136.01683	16.5
136.04919	1.2
137.02460	100.0
138.02823	2.7
141.67241	0.8
145.02969	32.2
146.03781	6.2
147.04555	7.7
149.02426	2.4
150.03229	1.3
151.04033	11.8
159.04587	0.9
160.04887	1.1
161.02461	23.4
161.04568	1.1
162.03238	36.0
163.04028	13.2
165.05618	1.9
177.05589	10.2
178.06067	0.8
179.03514	64.7
180.04144	2.6
185.02451	2.7
186.02832	2.1
195.06686	2.0
209.04572	20.4
210.04868	0.8
219.06825	0.7
239.05629	65.0
240.05908	2.3
250.05400	0.8
251.06398	0.6
281.06741	1.7
295.06339	3.6
296.06497	3.7
297.06720	6.2
299.07755	19.7
299.11011	1.4
325.09363	1.9
357.12164	0.7
361.93799	0.8
477.14063	39.3
478.14410	4.3
495.15479	5.9
505.45572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1515
Annotation	Tetracentronside A
Peak:m/z	Relative Intensity
54.72300	0.6
59.01388	3.1
61.98829	3.6
68.99815	0.9
69.87480	2.3
71.01017	1.0
71.01388	8.7
72.99306	1.5
73.02950	1.8
83.01411	1.5
85.02953	3.4
89.02452	0.9
92.02686	2.9
93.03471	35.1
95.01408	1.1
96.99301	0.9
98.22507	1.0
99.00911	1.0
101.02468	7.2
106.23134	0.6
108.02193	1.4
109.02975	6.2
110.03312	2.5
113.02465	3.2
119.04937	0.8
121.02956	3.3
122.03770	6.2
123.04474	0.6
133.02969	0.7
135.04530	2.6
136.01692	2.5
136.04910	0.8
137.02461	60.8
138.02873	0.7
147.04570	1.2
150.03242	52.4
151.03812	1.9
153.05580	4.2
159.04575	1.1
161.02454	0.8
165.05586	82.7
166.05937	2.6
179.03392	1.5
180.04158	1.2
185.02461	2.2
186.02806	2.4
187.03041	1.2
191.03453	1.2
221.04591	1.0
281.06702	100.0
282.07092	3.6
295.06186	2.7
296.06448	3.8
297.06726	3.4
306.75436	0.6
495.15158	57.1
496.15396	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.6
69.03477	1.2
70.22395	1.2
70.22729	2.0
72.99317	87.7
81.81655	1.4
98.22023	1.4
109.02971	5.0
115.60213	1.0
121.02962	2.9
122.03793	1.3
123.04550	7.9
127.85522	1.0
132.02216	1.4
133.02975	27.3
134.03751	4.7
135.04561	11.7
137.02422	1.7
137.09755	3.3
146.03740	3.9
147.04565	7.7
150.02058	2.2
150.03226	2.9
151.04025	1.8
158.03767	1.2
158.66872	1.0
159.04529	6.7
161.02467	91.5
161.06123	4.0
162.02803	2.5
165.04321	1.3
172.05313	3.2
173.06050	6.0
174.03276	1.7
174.06859	1.2
175.03972	5.2
176.04877	1.5
177.05585	2.7
178.02728	7.2
179.03535	6.2
185.06036	1.7
187.04109	1.4
188.04828	4.5
189.05644	1.7
190.06393	12.2
197.04567	4.4
197.06206	1.5
199.07726	1.4
201.05598	6.2
202.02812	1.1
202.06364	6.0
209.06029	1.0
211.07645	1.3
215.10829	3.2
223.59634	1.1
225.05617	1.2
227.03557	3.5
227.10820	21.7
235.07703	4.0
241.12364	3.4
243.13997	1.3
245.11815	5.4
246.05373	2.1
253.12399	4.4
255.10329	3.7
259.13437	18.4
262.06427	5.4
263.07175	8.8
264.06396	1.7
267.06683	5.2
271.10229	2.6
271.13455	12.4
289.14505	1.3
290.05878	14.7
291.06659	18.6
292.07007	1.1
297.11261	2.5
315.12442	15.2
333.13464	100.0
334.13779	4.8
337.03802	1.1
377.00455	1.2
495.12704	13.5
521.23254	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2012
Annotation	(-)-Trichodimerol
Peak:m/z	Relative Intensity
59.01368	30.7
65.39810	8.1
72.99313	33.0
76.24105	8.7
92.54121	8.1
98.21850	27.6
101.02463	7.9
109.02966	59.6
110.03260	14.0
119.25670	7.1
121.02874	7.0
123.04533	15.5
133.02921	9.6
135.04527	51.2
136.04918	6.8
137.02499	13.8
154.25633	7.1
161.02431	24.7
169.38359	7.7
179.03528	10.6
185.02428	26.8
186.03061	12.6
197.04541	15.4
249.05534	8.4
251.03528	8.0
279.02988	15.8
293.04745	8.6
295.06052	28.8
296.06390	26.3
297.06723	32.2
303.32294	7.8
321.04086	40.8
333.06195	20.1
339.05139	23.6
343.60339	7.1
356.19495	7.8
495.19992	100.0
495.26175	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	495.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76904	0.4
59.01386	1.4
63.02398	1.7
65.03957	0.5
71.01385	0.6
72.99315	40.8
73.02950	0.6
77.03972	0.4
79.01906	0.7
81.03470	0.6
84.63864	0.5
93.03471	1.0
95.01404	0.7
95.05061	0.7
97.61235	0.4
98.22621	1.7
98.99045	0.5
105.03461	1.4
107.01405	1.5
107.05048	1.1
108.02168	1.2
109.02962	27.2
110.03289	1.4
119.05023	2.1
121.02972	5.5
122.03746	2.3
123.00887	5.3
123.04539	9.1
123.54511	0.5
124.01655	2.8
125.02568	0.5
126.24503	0.5
133.02980	10.8
134.03764	6.7
135.04549	15.6
136.01656	1.4
136.04895	0.8
137.02457	32.9
138.02827	0.8
149.02460	6.6
150.03294	2.8
151.00398	8.6
151.04025	24.6
152.01158	7.9
152.04314	0.7
153.01649	0.6
161.02444	7.6
162.02773	0.7
163.04034	1.4
169.61818	0.5
177.01938	3.7
178.02776	5.3
179.03520	7.6
180.90054	0.5
181.05144	1.1
185.02463	1.2
186.02840	0.9
197.04584	13.4
197.06372	1.1
198.04973	0.8
213.70024	0.5
213.72426	0.5
225.05507	0.5
229.65521	0.5
243.06575	0.8
259.06131	2.6
271.06149	4.4
272.87274	0.7
287.05621	13.4
288.05923	0.7
295.06183	0.7
296.06528	0.6
297.06720	1.0
305.06729	14.3
306.07089	0.7
315.05103	6.4
321.04187	0.8
333.06186	100.0
334.06488	7.4
406.96378	0.6
495.09341	13.4
495.17038	0.7
495.20276	1.1
496.09720	1.5
496.18384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76904	0.4
59.01386	1.4
63.02398	1.7
65.03957	0.5
71.01385	0.6
72.99315	40.8
73.02950	0.6
77.03972	0.4
79.01906	0.7
81.03470	0.6
84.63864	0.5
93.03471	1.0
95.01404	0.7
95.05061	0.7
97.61235	0.4
98.22621	1.7
98.99045	0.5
105.03461	1.4
107.01405	1.5
107.05048	1.1
108.02168	1.2
109.02962	27.2
110.03289	1.4
119.05023	2.1
121.02972	5.5
122.03746	2.3
123.00887	5.3
123.04539	9.1
123.54511	0.5
124.01655	2.8
125.02568	0.5
126.24503	0.5
133.02980	10.8
134.03764	6.7
135.04549	15.6
136.01656	1.4
136.04895	0.8
137.02457	32.9
138.02827	0.8
149.02460	6.6
150.03294	2.8
151.00398	8.6
151.04025	24.6
152.01158	7.9
152.04314	0.7
153.01649	0.6
161.02444	7.6
162.02773	0.7
163.04034	1.4
169.61818	0.5
177.01938	3.7
178.02776	5.3
179.03520	7.6
180.90054	0.5
181.05144	1.1
185.02463	1.2
186.02840	0.9
197.04584	13.4
197.06372	1.1
198.04973	0.8
213.70024	0.5
213.72426	0.5
225.05507	0.5
229.65521	0.5
243.06575	0.8
259.06131	2.6
271.06149	4.4
272.87274	0.7
287.05621	13.4
288.05923	0.7
295.06183	0.7
296.06528	0.6
297.06720	1.0
305.06729	14.3
306.07089	0.7
315.05103	6.4
321.04187	0.8
333.06186	100.0
334.06488	7.4
406.96378	0.6
495.09341	13.4
495.17038	0.7
495.20276	1.1
496.09720	1.5
496.18384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2607
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
55.01880	0.8
57.03448	0.6
59.01387	100.0
60.01715	0.9
69.03468	0.8
69.15473	2.4
71.01392	19.9
72.99339	0.7
73.02956	20.9
83.01395	4.4
85.02962	5.7
87.00900	1.1
89.02458	8.8
89.03009	0.4
95.01396	2.2
97.02920	0.4
97.04104	0.5
98.22691	0.7
99.00897	0.7
101.02459	15.9
102.02759	0.4
113.02470	14.0
119.03512	3.4
125.02500	0.7
131.03510	1.3
133.02994	0.8
135.04579	1.1
136.05331	2.4
143.03542	1.4
149.04634	1.2
149.06131	0.7
151.07677	9.4
152.08452	12.0
152.09644	0.7
153.08801	0.4
161.02481	2.6
161.04568	4.2
164.08472	0.8
179.03520	0.7
179.05687	1.5
183.07800	0.4
197.04681	1.1
203.10892	1.0
217.12433	1.6
218.13133	0.7
227.06851	0.6
261.05606	0.8
273.18762	1.5
291.19885	1.6
301.16574	0.6
359.07913	0.9
417.23273	0.6
420.21753	0.5
435.23895	9.4
436.24335	1.0
453.24969	5.7
454.25430	0.6
495.25949	5.7
496.26752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
58.00621	0.7
59.01385	100.0
60.01725	0.9
69.03448	1.1
71.01389	22.4
72.01727	0.6
72.98914	0.7
72.99311	11.4
73.02953	31.5
74.99109	1.8
75.00882	0.8
83.01396	7.5
85.02958	4.6
87.00904	1.2
89.02460	8.2
95.01424	1.8
97.02982	0.9
99.00922	0.9
101.02456	24.7
101.54565	0.5
113.02460	12.3
119.03499	3.2
123.04578	1.3
131.03555	2.2
133.02968	4.3
134.03781	0.8
135.04565	5.4
141.25136	0.5
143.03561	1.9
147.04552	0.8
149.04637	1.2
150.03340	0.5
150.97168	0.5
159.04619	1.0
160.08969	1.0
161.02473	14.3
161.04549	3.3
161.05969	1.1
177.09222	6.1
178.02705	0.6
178.09956	2.8
179.03479	2.7
179.05685	1.1
187.04080	0.9
190.06375	1.4
197.04704	1.5
202.06363	0.7
227.03569	1.1
227.10889	2.1
245.12016	0.6
255.17538	3.5
259.13544	2.4
271.13483	1.6
273.18686	4.0
315.12637	2.3
333.13455	11.4
334.13834	1.1
417.22693	4.4
435.23993	3.1
437.46826	0.6
453.25290	0.9
477.25494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31669	0.8
59.01392	1.0
61.98835	100.0
64.91186	0.9
94.70579	0.8
97.34756	0.7
139.04018	1.0
159.56743	0.7
172.86406	0.7
180.68520	0.7
193.39508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.292
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71378	18.4
69.18720	100.0
69.19128	37.4
75.42834	23.0
98.22625	45.0
112.46849	18.9
114.03211	19.2
120.50916	18.7
161.02473	32.2
225.30710	21.6
410.73761	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	497.1307
Annotation	Verproside
Peak:m/z	Relative Intensity
50.92094	0.6
53.03125	0.6
59.01389	1.0
69.21963	3.4
71.01386	1.1
72.99326	1.1
73.02952	0.8
81.03454	0.8
83.05049	1.5
88.97035	0.7
93.03470	10.0
96.96035	2.7
98.22625	1.2
107.05039	1.0
109.02993	1.6
111.04537	4.7
117.03493	0.6
119.05093	0.6
123.04503	0.6
133.03001	7.7
134.03784	4.1
135.04544	100.0
136.04916	3.0
137.02480	7.5
145.02968	3.0
151.04053	2.0
154.99886	1.8
155.03503	1.5
161.02463	33.8
162.02809	0.9
163.04031	0.9
173.04601	0.8
177.02034	0.7
177.05618	1.2
179.03520	94.6
180.03859	3.2
195.03023	1.8
221.04591	1.8
251.05614	1.4
281.06689	2.8
291.08902	0.7
303.06247	1.1
335.07764	63.9
336.08121	2.5
341.08871	4.8
459.15137	2.7
487.91537	0.8
497.13095	30.9
498.13248	2.5
522.96216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70034	2.4
59.01392	12.9
69.03446	2.1
71.01389	7.3
73.43097	2.0
80.05078	7.4
85.02964	2.5
89.02455	4.3
94.06651	14.5
95.03803	2.8
96.08193	3.5
97.01712	2.2
101.02426	2.4
104.05113	2.1
104.35603	2.3
106.02963	3.2
106.06631	3.0
108.04578	3.2
109.02961	4.3
120.04598	14.0
121.05363	10.4
122.06128	34.1
123.00846	2.6
123.04521	4.6
124.01699	8.4
124.07708	52.3
125.02497	20.6
134.03798	6.4
135.04512	8.7
136.04074	9.3
136.07619	2.1
137.02475	5.6
140.07162	3.9
148.04056	81.7
149.04619	3.0
149.99605	11.8
150.05630	28.4
152.07243	3.1
160.01689	10.0
166.05127	7.7
168.00610	22.7
168.06715	5.5
169.01320	3.1
175.04031	10.0
193.05087	4.8
197.07155	7.1
198.08028	3.6
199.12370	3.2
200.09554	7.6
210.04097	4.4
211.08772	5.4
212.09413	14.0
213.06650	3.7
213.10228	3.9
215.08507	2.7
215.11914	28.2
225.06725	26.5
225.10344	7.5
226.07538	4.2
226.11136	7.8
227.11951	38.0
229.09935	2.9
229.13464	3.5
231.11354	6.8
240.09068	35.9
241.09743	2.7
243.11389	20.1
244.12036	5.2
245.10553	2.5
245.12956	3.5
245.48244	2.3
255.11388	69.0
271.11099	3.1
272.11685	7.0
273.12476	98.1
274.12668	5.2
275.10419	3.7
287.10345	3.3
291.13461	11.0
298.03891	2.4
299.10410	17.0
316.10651	15.9
317.11453	100.0
318.11832	4.1
331.06598	9.1
334.11819	5.1
335.12543	28.9
437.15753	5.8
443.48154	2.4
459.15167	11.7
461.15646	3.1
479.16736	64.4
480.17242	5.9
497.12857	16.2
497.18060	11.4
498.12643	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	497.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39974	2.2
59.01379	6.0
69.70133	7.4
71.01373	4.1
78.03487	2.9
80.05070	7.1
82.02950	2.1
85.03474	2.0
89.02459	2.5
90.42390	1.7
92.05105	2.9
93.03516	1.9
94.06626	6.1
95.03824	2.0
96.08202	3.1
101.28578	2.3
105.11890	1.8
106.02995	9.1
106.06635	4.3
108.04567	5.1
109.02979	2.8
109.05361	2.6
120.04540	15.5
121.05322	9.9
122.06134	36.4
123.04475	2.3
123.06928	5.8
124.07703	53.7
133.02948	2.5
135.04521	4.8
136.04050	9.5
148.04051	79.0
148.50548	2.3
150.05623	31.3
161.02470	8.5
164.03427	1.8
166.05139	11.6
166.97975	1.9
168.06686	8.5
179.03517	5.8
194.04538	2.7
197.07179	4.9
199.12479	2.3
208.15453	1.9
210.04140	4.7
211.08795	2.8
212.09595	8.1
212.63379	2.0
213.06763	2.1
215.08200	5.5
215.11902	8.5
221.04572	2.3
225.06656	9.1
227.08344	4.9
227.11902	24.6
228.04985	2.0
229.09792	4.6
229.13493	2.4
230.10606	5.1
231.11345	19.9
240.09010	20.5
241.09781	7.6
243.11432	18.8
244.12244	4.4
245.12830	2.1
255.11401	36.4
272.11737	10.4
273.12466	78.5
274.09692	3.6
274.12744	4.8
275.10437	18.1
287.10458	5.2
291.13507	8.7
299.10406	15.7
316.10727	24.2
317.11432	100.0
318.11716	6.0
334.11703	9.5
335.12491	24.5
336.12494	2.1
437.15588	25.1
452.18851	2.4
477.42163	2.6
479.16766	66.6
480.17139	6.9
497.17746	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.5
71.17147	2.7
72.50022	1.8
72.99313	84.6
87.00932	1.7
100.94292	1.8
109.02940	2.6
121.02972	7.2
123.04562	6.9
133.02974	23.7
134.03738	6.8
135.04561	12.8
137.02512	2.2
139.11287	7.9
150.03233	2.2
151.03970	2.5
159.04544	2.0
161.02455	79.9
162.02815	2.7
172.05325	5.2
174.06877	1.8
175.04012	2.2
176.04718	2.2
178.02762	6.3
179.03508	7.2
190.06380	5.7
197.04555	3.6
201.05569	2.2
202.06398	6.4
217.12256	2.0
229.12354	27.0
243.13911	2.4
245.15572	3.0
247.13408	5.6
249.74944	1.8
255.13875	4.8
257.11621	2.1
261.14963	19.1
273.11981	2.3
273.14978	15.0
293.04822	1.9
299.12949	2.9
316.55554	1.9
317.14023	13.3
335.15033	100.0
336.15216	6.8
474.52161	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	497.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.0
57.03463	2.0
59.01387	100.0
61.98858	1.9
63.99816	0.8
69.39048	4.5
71.01402	4.8
72.99356	0.9
73.02948	6.2
83.01389	1.3
85.02969	2.3
89.02471	2.7
101.02489	4.8
113.02471	2.6
115.82887	0.9
116.92864	3.4
135.04515	4.2
161.02484	4.0
179.03499	1.2
231.13916	3.6
249.15161	1.2
292.60684	0.9
326.17471	1.0
366.10654	0.8
393.19601	1.0
411.20306	9.3
453.21301	19.9
454.21918	0.9
497.27548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2164
Annotation	Heteroclitin C
Peak:m/z	Relative Intensity
57.03447	13.7
59.01379	91.1
59.22495	7.8
62.49527	7.8
65.20591	7.8
65.65405	7.0
69.03474	10.7
71.01380	58.2
72.99338	10.1
73.02973	7.2
85.02953	31.6
89.02451	28.3
97.02969	30.8
101.02426	41.1
109.02979	15.4
113.02484	25.8
123.04542	11.2
135.04515	32.1
161.02460	9.8
161.04565	33.1
179.03584	9.9
197.04562	12.9
295.05798	9.3
321.04132	12.0
339.05017	11.3
381.22891	33.4
482.10062	10.8
497.21454	100.0
497.27560	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	497.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14375	0.4
57.03463	0.8
58.82501	0.4
59.01384	100.0
60.01720	0.8
61.98837	1.2
65.82835	0.4
70.96342	0.5
71.01389	2.4
72.99300	0.6
73.02950	3.9
82.69740	0.4
85.02964	0.9
89.02476	1.3
99.04554	0.8
99.92622	0.5
101.02451	3.3
113.02475	1.1
116.92187	0.4
116.92910	1.8
133.02963	1.1
135.04573	1.8
146.79298	0.4
161.02509	2.3
161.04532	0.7
179.03578	0.7
195.68463	0.4
231.13992	0.4
366.95444	0.6
411.20233	0.5
453.21417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2763
Annotation	Simplexin I
Peak:m/z	Relative Intensity
54.52473	0.8
59.01386	43.6
61.95361	0.9
69.83734	1.9
71.01396	17.4
72.99312	1.0
73.02956	24.9
82.55479	0.8
83.01398	4.9
85.02956	2.9
87.00871	1.6
89.02471	5.1
95.01408	1.7
97.02987	0.9
98.22558	1.9
101.02465	16.3
104.24248	0.8
113.02464	6.0
119.88981	1.0
126.96487	1.0
156.41299	1.0
161.04549	1.7
195.13908	1.3
223.13487	1.0
267.20038	1.0
275.20114	7.3
277.21756	1.3
293.21310	27.8
293.24677	1.4
294.21561	2.1
307.72873	1.1
381.74921	1.0
437.25458	4.1
447.95703	0.9
455.26450	14.2
497.27625	100.0
498.27911	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	497.3642
Annotation	Argenteanone D
Peak:m/z	Relative Intensity
54.00262	4.5
59.74299	4.2
67.80940	4.7
76.23071	4.3
84.07348	4.0
118.23371	3.9
158.13618	4.9
246.00470	4.2
410.08548	4.8
429.69235	4.1
497.36475	100.0
498.36630	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	498.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37911	7.5
56.43753	8.5
59.01388	100.0
61.98838	18.4
71.01380	16.7
73.02953	17.2
75.10892	7.1
75.92863	8.9
82.97226	9.1
89.02436	11.0
95.68225	7.1
101.02453	15.6
105.58770	8.2
109.02987	8.7
112.98846	13.8
133.02951	15.7
135.04518	17.7
141.85954	7.9
161.02441	24.3
179.03477	10.1
197.04665	9.5
200.01981	7.6
228.00722	8.6
234.74899	7.6
265.05103	13.8
280.07224	11.3
294.17017	8.3
323.09192	11.1
367.08224	46.4
413.22354	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	499.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.0
68.28744	0.9
70.02982	1.1
70.40585	0.8
70.40910	1.0
71.01377	1.0
72.99319	10.0
74.02476	1.7
78.95905	2.5
97.01180	1.3
97.04075	0.9
100.00404	3.4
101.02471	0.9
109.02959	1.1
116.05065	3.2
117.03492	6.0
119.05043	14.0
123.04518	1.2
135.04512	2.5
137.00563	0.8
145.02972	17.4
150.01427	1.8
150.91225	0.9
151.02238	2.2
152.01773	1.3
157.05334	1.2
160.02258	1.1
161.02396	0.7
163.02254	1.7
163.04018	7.1
164.01767	3.4
176.01776	11.0
178.03368	5.7
179.03513	1.6
180.04878	0.9
185.07196	1.7
188.01717	0.9
189.02567	4.3
190.03363	12.3
191.94820	0.7
192.04893	11.7
195.01254	0.9
197.04558	1.2
201.06444	0.7
202.03372	1.3
204.04901	5.9
207.01410	0.8
219.03604	1.6
220.00737	13.7
220.04393	2.8
234.02335	5.8
235.05490	15.9
236.03882	12.8
236.05994	1.3
247.05536	4.8
248.03882	10.1
260.00180	0.9
263.02588	6.0
264.03412	8.0
265.18506	0.9
273.03445	2.0
279.04489	6.4
291.04477	100.0
292.04715	5.7
295.09833	1.1
309.05499	11.8
317.02493	1.0
335.03479	14.7
353.04538	9.7
499.08011	3.6
499.15585	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.1
70.02990	3.2
70.53352	0.8
71.01383	2.5
72.99321	4.4
73.02944	1.5
74.02493	0.9
76.34554	0.6
85.02949	1.3
89.02435	0.9
99.00896	0.7
100.00439	4.6
101.02425	2.5
107.04969	0.8
109.02982	0.9
113.02482	1.2
119.05026	12.9
121.63855	0.6
122.14133	0.6
123.04511	0.8
133.01189	2.1
134.03777	1.5
135.04543	13.5
147.99860	0.7
149.00696	1.4
155.03729	1.5
161.00673	2.2
161.04559	1.5
163.01022	4.1
163.04024	18.3
164.01765	1.3
170.02530	3.5
174.00194	3.7
176.01775	6.3
177.00154	1.1
181.05083	33.8
182.05354	0.8
183.03258	4.9
184.04042	0.7
187.00987	1.1
188.01776	5.3
189.02547	1.4
190.03342	9.2
191.00475	8.0
192.01228	2.0
192.04903	1.4
197.04698	1.0
199.60413	0.6
201.99689	2.5
202.03415	3.5
204.04903	3.8
213.99652	0.8
215.00388	1.1
216.01326	13.0
217.21356	0.6
218.02823	19.9
219.03201	1.1
220.00760	0.7
228.03012	1.4
230.02870	5.0
239.04654	2.0
245.01572	1.2
245.03894	9.3
246.02220	1.2
247.05432	7.1
260.00150	1.1
273.03421	100.0
274.03760	4.7
289.02853	1.5
291.04437	2.2
299.01337	1.8
317.02335	8.6
321.04108	1.1
335.03424	1.1
353.74481	0.7
499.08087	3.2
499.29037	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75497	1.5
57.12440	1.3
57.50426	1.1
59.01384	100.0
60.01725	1.4
65.49454	1.5
71.01388	15.8
73.93050	1.2
82.00426	1.2
85.02965	1.9
87.00908	1.7
89.02460	23.5
98.22651	5.5
101.02444	9.5
113.02474	8.4
114.16730	1.4
118.96655	1.8
119.03513	8.4
132.98204	1.9
139.00139	4.0
143.03534	1.9
153.83704	1.5
156.98044	2.1
156.99112	16.9
164.21553	1.3
176.98114	3.3
179.05620	9.4
198.99315	1.6
199.00967	2.7
221.00575	2.1
228.96658	1.6
259.01382	1.8
287.81210	1.7
290.57132	1.3
311.85205	1.5
341.10892	83.5
342.11346	4.2
439.07831	2.0
450.00732	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07432	0.5
59.01385	2.0
59.71950	0.6
69.47269	1.3
69.47655	1.8
71.01384	0.8
71.93746	0.6
72.99307	0.6
73.02932	0.7
83.01411	4.1
87.00910	0.6
92.02737	0.6
93.03452	0.7
99.00881	6.2
106.04306	0.7
107.05025	0.7
109.02954	9.7
115.00387	2.8
119.05070	1.2
121.02937	0.7
121.06620	3.8
122.03761	0.6
123.04504	0.5
131.05061	1.0
133.03006	2.9
135.04507	4.3
137.02501	1.0
145.02969	2.6
146.03749	0.9
147.04546	6.6
148.05354	4.4
149.06097	100.0
150.03250	1.9
150.06424	3.8
151.03967	1.0
159.04529	1.8
161.02463	8.5
161.06114	1.9
162.03018	0.6
163.04039	5.6
164.04784	0.6
165.05602	5.1
173.92717	0.5
174.03247	2.0
175.02560	1.4
175.04010	17.0
177.01935	9.6
177.05547	1.2
179.03534	1.5
187.04045	1.7
188.04820	1.0
189.05539	2.7
191.00293	1.2
191.03491	1.5
192.04234	0.9
193.05078	14.8
203.03542	0.7
203.07297	1.0
205.05096	1.3
205.99017	0.9
206.02234	2.5
215.03540	1.4
216.98274	0.8
219.03006	33.3
220.03384	1.2
229.04955	1.2
231.03029	0.7
231.06667	1.8
233.04594	10.2
237.04066	49.4
238.04388	1.4
249.07758	0.9
257.04620	0.7
258.99329	1.1
259.02362	0.7
275.05679	3.0
277.00330	7.3
277.03592	7.9
278.25192	0.7
293.06738	4.9
319.01312	1.1
319.04651	11.0
337.05685	45.1
338.05997	2.0
381.08304	6.9
399.09402	8.9
439.09064	4.4
481.10144	5.6
499.10886	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	499.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18594	0.4
57.03454	100.0
58.03781	0.8
59.01384	88.4
60.01717	0.7
71.01397	1.9
73.02961	1.1
81.03459	2.9
83.01387	0.6
85.02965	1.1
85.90267	0.4
98.22668	1.1
99.04529	81.4
100.04867	1.2
101.02454	13.6
103.45580	0.3
113.02468	0.8
125.02457	34.8
126.02795	0.8
143.03487	1.1
161.04581	2.0
216.40652	0.4
269.10272	1.7
311.11176	1.2
404.80405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03609	1.6
56.78535	1.6
59.01381	16.4
70.14460	4.2
71.01390	8.4
87.00877	13.7
89.02459	6.0
99.00967	2.0
99.59820	1.9
101.02461	5.8
106.06633	8.3
106.66071	2.0
108.08178	3.0
120.04597	2.1
121.05341	3.1
122.06133	10.2
127.14790	1.8
134.06145	26.0
135.06854	3.0
136.06726	3.2
136.07703	40.4
143.28900	2.1
149.04834	6.6
149.06085	12.1
150.05569	2.3
155.11880	1.7
159.05539	2.3
159.92569	2.4
161.04640	3.1
162.05655	3.4
163.06442	10.5
164.07176	100.0
165.07439	2.2
177.01982	1.7
202.08846	2.7
203.08250	2.8
211.08783	2.1
219.02968	2.8
225.10318	3.9
227.08238	5.3
227.11935	7.5
229.09799	17.1
235.93831	2.0
235.96764	2.0
237.04097	6.4
239.11880	2.6
240.09064	2.7
241.09897	6.2
242.10609	3.3
243.11363	9.2
244.09775	4.1
245.12985	26.4
252.09085	2.9
253.09846	11.0
255.11662	2.4
257.09360	7.6
257.12973	19.7
259.10916	15.5
270.10095	4.5
271.10928	28.8
273.12457	2.8
275.14026	54.6
277.11896	3.6
283.10876	17.1
300.11221	9.7
301.11929	32.6
326.12427	4.6
337.05649	6.6
407.18268	4.9
419.18210	4.0
433.16077	15.9
437.19290	12.8
451.17236	20.1
455.20255	2.8
463.17273	40.8
464.17465	4.5
481.18274	49.8
482.18570	3.4
499.19388	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	499.1957
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01378	10.5
60.58434	5.3
61.98838	29.3
67.62186	6.0
70.00099	16.3
71.01389	7.8
82.45378	5.9
96.96011	16.7
102.26534	5.8
121.02995	6.3
131.03485	5.5
135.04529	21.4
137.02458	6.1
138.55814	6.1
145.02940	11.3
159.08269	5.5
161.02362	5.8
179.03471	10.8
197.04567	12.3
210.04300	6.2
295.06305	8.0
331.17636	7.1
354.21365	5.7
411.34570	6.2
462.07928	6.2
499.19586	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	499.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16590	0.3
55.01882	0.8
57.03458	3.8
57.77446	0.4
59.01387	18.8
71.01390	14.5
71.01792	0.5
72.99308	0.4
73.02953	5.3
73.98325	100.0
74.44926	0.3
74.99104	17.7
77.17583	0.3
83.01400	1.0
85.02965	5.2
87.00873	0.5
89.02444	1.0
95.01396	0.9
97.02963	0.8
99.00902	2.5
99.04536	2.6
101.02457	9.0
109.46590	0.3
110.67715	0.3
113.02454	6.6
125.02463	1.9
129.02020	0.3
133.02942	1.2
135.04543	2.2
139.02325	0.4
143.03519	1.1
159.03021	1.8
161.02524	3.7
161.04570	8.8
162.04832	0.4
179.03516	1.6
202.06450	0.9
217.08629	0.3
223.11505	0.5
223.46376	0.4
251.14865	0.7
293.15848	39.2
294.16150	2.8
337.14835	2.5
338.15619	0.5
499.20221	3.3
499.27170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
58.40215	0.4
59.01385	100.0
60.01703	0.7
69.26248	2.6
71.01399	0.9
72.99339	0.6
73.02959	0.5
73.98323	0.6
87.00891	7.1
89.14123	0.4
99.04536	0.9
101.02460	1.2
113.02492	0.8
125.02505	0.4
133.02997	1.7
135.04536	3.8
141.01953	1.0
161.02460	3.5
164.08508	0.7
179.03612	0.9
197.04572	0.5
207.13960	0.6
211.98279	0.4
237.15013	2.3
260.59549	0.5
454.20782	0.5
457.27725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14375	0.2
59.01386	100.0
60.01715	0.7
69.28265	1.4
71.01398	0.7
71.72999	0.2
72.99342	0.2
73.02966	0.7
82.76468	0.2
86.35195	0.2
97.55319	0.2
98.21836	0.4
101.02467	0.6
102.28094	0.2
113.02479	0.3
115.93649	0.2
119.19051	0.2
124.54939	0.2
125.03455	0.2
135.04564	0.5
161.02473	0.4
198.04883	0.3
255.00015	0.3
321.67453	0.2
326.99915	0.2
395.56067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3074
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
57.40096	3.8
59.01376	5.8
65.59599	4.3
77.11579	3.8
100.22926	3.9
100.34091	4.0
102.40697	3.6
103.49946	3.6
107.64641	4.7
115.38345	3.9
318.96350	4.2
321.03683	4.1
389.94144	4.7
451.28616	72.5
452.29041	8.6
455.31754	32.6
456.32092	4.7
469.29779	4.6
499.30704	100.0
500.31100	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	501.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	82.5
61.72945	1.6
64.94257	1.6
70.94101	2.9
70.96912	2.0
72.99325	1.8
73.02955	3.0
88.84024	1.7
105.26043	1.9
110.89852	1.6
113.70892	1.6
132.21097	1.7
136.93980	2.7
154.90666	2.1
157.03537	2.1
159.34746	1.7
174.99254	19.8
176.98146	1.9
178.95064	3.7
181.68864	1.6
192.96080	3.4
201.02560	34.6
202.02859	2.6
215.04204	2.9
217.00304	100.0
218.00888	1.9
250.95151	3.3
274.95078	2.1
275.37723	2.0
292.96252	7.3
320.96155	2.7
334.97229	4.2
343.03665	4.2
359.01447	61.8
360.01584	5.6
500.98962	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	501.027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	84.1
63.47593	0.5
70.78358	0.7
78.95932	0.7
83.95023	0.5
90.73867	0.5
95.02451	0.6
111.02017	1.6
112.07266	0.5
130.08791	0.8
132.98218	1.2
157.03584	3.4
159.01517	1.2
163.70386	0.5
172.75305	0.5
174.99261	24.4
175.00826	1.2
188.50780	0.6
201.02563	34.3
202.02795	1.5
217.00313	100.0
218.00667	2.0
227.18793	0.6
232.72415	0.6
288.95621	1.3
343.03592	2.1
359.01480	59.5
360.01654	4.4
366.96793	0.7
380.98187	2.7
389.00085	0.6
404.07404	0.6
501.02029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93940	0.6
59.01384	78.3
63.18638	0.8
67.66292	0.6
70.74773	1.0
75.60012	0.6
75.70625	0.6
102.03811	0.8
116.29350	0.7
132.98187	0.8
134.97105	0.8
153.31610	0.7
157.03516	3.8
159.01491	0.7
174.99261	22.7
200.43401	0.7
201.02574	34.3
202.02837	2.1
215.04181	0.6
217.00319	100.0
218.00696	2.3
242.74442	0.6
256.92963	0.8
312.01901	0.6
343.03699	3.7
359.01489	61.5
360.01819	4.3
480.28677	0.7
498.53958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09567	1.6
59.01383	3.5
65.00307	1.9
68.99831	3.4
72.99317	16.2
75.67132	1.5
84.99338	2.6
87.00880	11.1
106.04245	2.2
108.02196	2.0
111.00909	2.5
112.98820	24.3
117.03509	2.9
130.99857	3.9
132.02196	2.8
134.03758	71.1
135.04552	2.5
147.04564	3.8
148.05278	1.6
149.06082	19.0
151.04037	3.7
153.05634	2.0
158.03659	1.8
160.01662	19.2
161.02492	13.8
162.03262	25.2
163.04007	3.4
174.03310	1.7
175.04021	26.2
176.04770	5.2
177.05629	8.5
178.02722	10.8
178.14493	1.9
186.03300	2.9
190.02727	14.5
191.07211	10.0
193.05080	25.8
201.05624	1.7
202.02757	5.3
205.05099	16.3
218.02209	5.0
218.28314	1.7
219.06718	3.7
230.02194	6.8
233.04565	84.2
234.04944	2.8
235.06099	3.9
245.04553	6.8
246.73363	1.6
263.05768	2.3
268.54465	1.6
277.16116	1.8
289.03568	4.6
307.04636	100.0
308.04968	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	501.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11897	1.8
68.99836	2.9
72.99313	14.3
78.68259	1.8
84.99328	4.7
87.00894	14.2
89.03994	3.4
98.21883	4.2
107.42464	2.1
111.00884	4.2
112.98823	27.6
117.03468	4.7
117.05276	1.7
129.35712	2.0
130.99847	2.4
132.02177	5.3
134.03752	90.0
135.04512	2.5
147.04535	3.2
148.05267	1.9
149.06088	28.3
151.03987	3.4
151.98502	1.7
153.05774	2.1
158.03706	3.3
160.01645	23.1
161.02507	15.4
162.03252	24.4
163.03873	5.8
175.04027	39.8
176.04739	6.0
177.05643	13.6
178.02740	11.2
185.02519	1.9
185.04338	1.9
186.03244	3.5
187.42990	2.0
189.05623	2.4
190.02769	18.5
191.07175	10.5
193.05067	35.2
193.06743	2.8
201.05571	2.5
202.02824	9.9
204.04219	3.3
205.05034	26.8
218.02206	7.4
219.06709	3.0
230.02271	11.7
233.04562	100.0
234.04906	3.9
235.52870	2.0
245.04503	9.3
263.05759	3.1
289.03555	6.4
300.23730	1.9
307.04620	78.5
308.04987	3.9
398.19189	2.1
485.26712	2.0
491.09183	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	501.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90616	0.6
57.03456	1.8
57.59647	0.5
59.01079	0.8
59.01378	6.5
59.43882	0.7
65.00311	0.8
68.99835	3.6
69.06897	0.6
69.26505	3.2
72.99316	16.1
84.99369	1.1
87.00887	16.1
88.32407	0.5
89.03982	1.4
95.01414	0.5
95.20614	0.5
99.04536	1.7
100.04883	0.7
103.00379	1.8
106.04257	0.8
108.02171	0.7
111.00892	3.5
112.98831	12.1
117.03474	3.4
125.02437	0.7
127.00375	1.9
130.99876	5.8
132.02194	3.7
133.02942	1.5
134.03755	86.7
135.04137	1.8
136.01666	2.4
137.02443	1.0
144.02284	0.8
146.03743	0.6
147.04530	1.9
148.05331	1.1
149.00949	2.6
149.06102	21.1
150.03165	0.8
151.04034	3.3
153.05623	0.7
154.99937	2.0
158.03746	1.7
159.04512	2.8
160.01672	18.4
161.02466	9.7
162.03238	20.2
163.04085	2.6
173.02458	0.9
175.04012	26.7
176.04800	7.1
177.05573	9.9
178.02724	9.0
185.02425	1.5
186.03223	2.4
190.02736	14.3
191.07147	7.9
192.59317	0.5
193.05072	64.0
194.05403	1.9
201.05553	3.1
202.02756	5.0
204.04311	2.5
205.05070	16.1
206.05476	0.6
214.02747	0.8
218.02202	6.6
219.06635	4.3
225.33743	0.5
230.02209	6.2
233.04556	87.2
234.04860	3.6
235.06143	5.3
245.04544	9.0
246.01804	0.6
248.03389	1.2
250.01237	0.9
263.05634	3.4
289.03589	7.5
307.04611	100.0
308.04971	4.5
312.54691	0.5
320.91302	0.6
325.05695	6.7
369.89642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12852	1.2
53.47715	1.1
55.21009	1.4
59.01369	4.1
68.99820	3.1
72.82610	1.3
72.99313	15.9
81.67548	1.6
83.91051	1.5
87.00877	18.5
100.29967	1.3
111.00896	3.0
112.98821	8.1
115.84970	1.7
117.03469	2.1
124.45985	1.2
127.00347	1.9
130.99887	4.1
132.02184	6.1
133.03014	1.8
134.03757	100.0
136.01659	2.6
147.04492	2.4
148.05299	1.9
149.00958	6.3
149.06110	14.2
151.04051	3.4
158.03731	2.3
159.04521	1.5
160.01680	21.2
161.02429	12.8
162.03238	25.9
163.03925	1.9
167.42247	1.5
173.02527	1.6
175.04021	24.3
176.04771	9.6
177.05592	8.5
178.02788	7.7
184.77644	1.4
185.02444	2.3
190.02727	16.2
191.07144	6.7
193.05067	44.1
194.05331	1.4
201.05598	1.5
202.02725	6.9
204.04095	2.4
205.05081	17.7
218.02127	8.6
218.37473	1.5
219.06570	4.6
230.02267	7.5
233.04575	79.2
234.04950	3.2
235.06157	3.0
245.04553	6.0
263.05606	4.7
289.03690	7.4
307.04626	85.8
308.04916	6.0
325.05579	4.0
332.10406	1.4
361.31799	1.3
391.49554	1.3
401.75534	1.4
435.18298	1.5
513.34338	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	501.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.1
60.01713	0.4
60.73555	0.2
71.01375	0.5
72.99308	0.4
84.93873	1.3
86.51294	0.2
96.95995	0.2
99.00893	0.6
99.92599	9.7
100.93377	13.0
101.93369	0.5
103.00375	0.6
111.00912	0.3
114.93452	0.2
114.94962	0.3
115.92094	13.3
116.92875	100.0
117.92899	3.8
117.93647	0.2
130.08754	0.3
133.03000	0.2
134.03775	0.8
135.04546	0.5
140.92908	0.6
141.93674	0.7
142.94440	1.4
156.92365	0.6
158.93941	0.7
160.01677	0.3
161.02464	0.5
162.03154	0.2
167.95186	0.3
170.93898	0.2
171.94737	0.2
181.20451	0.2
183.94724	0.3
184.91847	1.4
184.95514	0.4
186.93465	0.5
193.05104	0.3
196.95511	0.3
223.94289	0.3
224.94969	0.4
233.04709	0.5
237.05914	0.2
259.96295	0.5
269.04825	0.5
307.04709	0.6
326.80862	0.2
379.08777	1.3
380.09338	0.3
397.09631	4.1
398.09909	0.5
399.70096	0.2
415.10703	3.4
416.11115	0.3
427.10745	0.8
434.13812	0.3
439.10580	2.0
457.11807	4.8
458.11978	0.6
465.08496	1.3
483.09775	0.4
501.10767	15.0
501.31952	0.4
502.11145	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	501.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.8
69.25487	1.8
69.25882	0.8
71.01391	0.9
71.31404	0.3
72.99332	2.0
78.06160	0.4
84.93877	1.5
87.00884	0.6
89.02470	0.7
99.92593	9.9
100.92663	0.7
100.93375	9.9
103.00394	0.8
111.00874	0.7
112.98821	1.4
113.02430	0.6
115.92092	15.8
115.92932	0.7
116.92873	100.0
117.92880	3.4
119.04974	0.4
122.06153	0.5
133.02974	1.3
134.03786	4.1
135.04533	5.1
136.04866	0.6
140.92915	0.6
141.93680	0.5
142.94424	1.1
149.06081	0.9
152.07294	0.5
156.92390	0.7
160.01662	0.7
161.02444	6.0
162.03079	0.6
175.04042	1.5
179.03523	1.8
184.91875	1.4
187.07687	1.4
193.05057	2.5
197.04613	0.6
205.05156	0.6
218.02284	0.4
222.45001	0.4
230.02315	0.4
233.04504	3.1
233.11937	0.4
242.08327	1.3
242.95993	0.4
243.08560	0.5
275.09323	1.0
307.04593	3.4
307.11960	0.5
379.08603	0.7
397.09607	3.1
415.10706	2.4
439.10638	1.1
457.11847	3.2
465.08856	0.7
501.03641	0.3
501.10739	8.5
501.32114	0.5
502.11020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88491	0.9
54.68986	1.1
55.21296	1.0
59.01383	6.3
71.01385	1.8
78.95910	100.0
81.00419	1.1
89.02460	1.5
96.96967	24.3
101.00993	1.1
101.02484	1.7
112.30009	1.0
123.00815	1.3
141.00453	3.5
153.05618	2.3
197.04559	4.8
197.65872	1.0
201.02437	1.2
201.92128	1.1
239.05536	2.3
277.12408	1.3
279.03580	2.2
296.22803	1.1
322.92648	1.0
357.08926	50.3
358.09119	1.9
359.09845	9.6
381.06714	3.7
399.09979	5.4
439.13077	2.2
441.09015	1.4
501.13086	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	501.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
63.15078	0.1
69.18193	0.8
69.18600	0.3
71.01388	1.4
72.99316	0.3
73.02946	0.3
83.01421	0.2
85.02943	0.5
87.00888	0.4
91.05504	0.2
93.03476	0.7
96.36604	0.2
96.96017	0.2
98.22630	0.4
101.02464	0.8
105.03470	0.2
109.03007	0.3
112.98845	0.6
113.02464	0.6
117.03477	1.8
118.04307	1.0
119.05037	100.0
120.05361	2.5
121.02961	0.7
123.04564	0.2
129.80058	0.2
132.02196	5.2
133.02969	8.2
134.03758	7.7
135.04535	5.6
145.02972	2.2
147.04529	0.5
148.05322	0.3
149.06116	1.4
159.04520	0.2
160.00291	0.3
160.01674	21.2
161.02460	26.1
162.02885	1.1
163.04019	46.4
164.04359	1.2
175.04015	23.7
176.04510	1.0
177.05583	9.8
178.02734	0.7
178.05934	0.5
179.03508	5.0
189.05713	0.2
190.02708	0.2
191.07147	0.5
193.05078	5.2
194.05362	0.2
202.02792	0.3
203.03534	0.5
205.05074	0.4
217.05136	0.4
219.06853	0.2
221.04575	2.3
233.04587	1.3
235.06099	0.4
240.41965	0.2
245.04533	0.3
251.05573	0.2
263.05603	0.6
280.05914	0.3
295.26373	0.2
307.04651	1.5
322.07043	0.2
323.07736	23.9
324.08157	1.3
337.09317	24.1
338.09705	1.2
395.39584	0.2
485.49713	0.2
501.14056	17.9
502.14526	1.5
523.76636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.4
68.99820	0.4
71.01386	1.7
72.99329	0.5
73.02946	0.7
85.02950	0.6
89.02467	0.5
89.03952	0.5
90.01678	0.3
96.62050	0.3
101.02478	0.9
112.18290	0.3
112.98801	0.8
113.02409	0.5
117.03482	29.7
118.03809	0.8
119.05046	9.2
120.05443	0.4
132.02217	2.8
133.02957	1.2
133.06622	0.8
134.03767	10.2
135.04539	1.5
145.02972	100.0
146.03294	2.6
147.04526	0.9
148.05315	0.4
149.06108	2.8
151.04070	0.4
158.03726	0.6
159.04573	1.0
160.01685	13.2
161.02409	1.5
161.04732	0.4
161.06105	1.9
162.03175	0.4
163.04025	9.9
175.04030	14.1
176.04755	1.8
177.01950	0.3
177.05559	0.9
178.02808	1.6
179.03516	0.9
187.04004	4.0
190.02695	0.6
191.07133	2.8
193.05077	8.1
202.02737	0.6
205.05049	1.6
207.06670	0.7
217.05104	1.0
220.03743	0.6
233.04555	2.9
235.06151	3.7
247.06094	0.4
265.07242	2.8
295.08231	2.5
307.04626	2.8
307.08264	2.2
323.07706	1.4
337.09317	10.9
338.09814	0.5
355.10364	0.9
361.37039	0.3
409.91037	0.4
441.12323	0.5
501.14023	5.1
501.30972	0.6
502.14609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83488	0.9
59.01377	12.5
68.27805	1.0
69.18648	6.9
71.01369	1.8
73.02940	1.5
74.03244	1.1
83.65486	1.0
98.21902	2.4
101.02457	1.3
103.69933	1.0
116.97245	1.0
119.84209	1.1
133.02933	2.0
134.03764	3.5
135.04533	4.3
160.01666	1.2
161.02451	4.1
176.51616	1.2
179.03473	2.1
184.67021	0.9
193.05122	2.0
233.04572	3.6
307.04425	2.6
361.51184	1.2
399.23798	1.3
411.90192	1.0
437.30734	3.4
439.32300	1.9
455.31747	14.5
456.32010	1.1
486.04709	1.2
501.32224	100.0
502.32471	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	501.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57075	3.1
59.01382	65.3
61.98817	6.9
69.28318	13.9
70.72445	2.5
72.99308	4.5
73.02953	4.7
76.48502	2.9
90.14652	2.6
98.21921	6.0
99.04490	3.4
99.24029	2.8
101.02417	4.1
112.98802	9.0
134.03749	10.8
134.41579	2.8
135.04536	8.3
149.06081	3.1
161.02423	8.5
161.37479	3.2
175.04031	5.0
178.02670	3.3
179.03523	3.2
193.05103	6.3
195.68370	2.8
200.32828	2.8
202.02864	3.0
233.04617	9.3
307.04694	8.3
332.56924	3.0
334.51834	2.8
423.29047	3.5
455.31735	44.6
501.32285	100.0
502.32675	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	501.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	85.4
57.20812	0.6
58.03799	0.7
59.01386	100.0
60.01731	1.7
64.79769	0.7
71.01391	3.9
71.05028	0.9
72.99301	1.1
73.02957	2.0
81.03461	3.8
81.26708	0.6
83.01414	1.6
85.02962	1.0
89.02478	0.9
94.06339	0.6
98.21901	1.7
99.04531	86.5
99.92604	1.5
100.04874	1.6
100.93398	1.4
101.02458	12.5
112.98820	0.9
113.02508	1.5
115.92105	1.9
116.92873	8.9
120.46542	0.6
125.02464	28.8
133.03018	0.6
134.03746	1.8
135.04538	3.4
143.03528	0.7
160.01595	0.8
161.02438	2.6
161.04536	1.8
179.03474	1.2
190.02667	0.6
193.05084	2.2
196.86203	0.6
207.73019	0.7
233.04498	1.2
245.96500	0.7
263.14401	0.6
307.04532	2.0
315.18167	1.5
355.26520	1.0
357.19144	2.0
363.27078	0.7
377.28458	1.0
391.30527	0.6
423.28857	0.7
453.30219	5.4
474.36447	0.7
483.31113	6.9
501.32245	54.8
502.32684	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	501.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71554	0.5
57.03456	2.1
57.24685	0.4
59.01386	100.0
60.01722	0.8
61.68742	0.5
71.01392	1.8
71.43227	0.6
72.99328	1.0
73.02961	0.7
73.98333	0.7
78.44235	0.4
83.05042	2.0
85.02968	1.0
87.00854	0.6
99.00978	0.5
99.04558	1.3
101.02469	1.9
112.98833	1.1
113.02483	0.8
125.00144	0.4
131.21597	0.4
133.03033	1.2
134.03757	1.9
135.04582	2.8
149.06158	0.7
161.02489	3.8
161.04579	1.3
161.85059	0.6
162.03014	0.7
175.04001	1.1
179.03506	1.0
184.60175	0.5
190.02640	0.7
193.05095	1.1
197.04587	0.6
205.05122	0.6
209.86073	0.5
233.04553	1.6
305.14725	0.5
307.04611	2.8
339.64240	0.5
373.27664	0.8
399.23770	1.2
411.05548	0.5
433.71573	0.5
483.31158	7.2
484.31482	0.6
501.32309	28.7
502.32663	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	501.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01726	0.8
60.17638	0.3
63.25182	0.4
71.01405	1.1
71.86948	0.3
72.99330	1.0
73.02957	0.8
87.00923	0.7
89.02470	0.6
98.22689	0.7
101.02440	0.8
112.98867	1.1
113.02468	0.8
114.43297	0.3
117.03458	0.4
119.05042	18.5
120.05408	0.5
132.02225	1.3
133.02975	2.1
134.03760	4.5
135.04576	2.9
136.04890	0.4
144.48480	0.3
145.02985	0.8
149.06155	0.9
159.04572	0.6
160.01688	4.8
161.02464	6.7
161.04544	0.5
162.03207	0.9
163.04019	8.4
164.04433	0.4
175.04016	5.5
177.05569	1.8
178.02864	0.6
179.03548	1.2
179.10846	0.6
190.02835	0.4
193.05089	2.9
197.04642	0.6
203.03705	0.3
205.05110	0.7
205.08887	0.4
233.04559	3.5
233.06544	0.3
276.70157	0.3
289.03455	0.4
307.04620	3.3
323.07755	4.6
337.09332	3.6
399.24057	0.4
477.17725	0.4
501.13525	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	501.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46128	0.5
57.03460	0.9
59.01388	100.0
60.01731	0.6
63.70350	0.6
67.26796	0.5
69.84742	0.9
71.01398	6.3
73.02956	2.7
83.01429	1.7
85.02974	3.3
89.02461	1.1
90.85041	0.5
95.01394	0.7
98.21960	1.1
99.00903	0.9
99.04566	0.7
101.02445	6.8
103.58910	0.6
113.02500	2.9
118.97004	0.8
134.03802	2.0
135.04594	1.2
149.06096	0.6
161.02551	0.9
161.04614	1.4
164.01833	0.5
179.03528	0.7
193.05121	1.1
201.24875	0.5
233.04602	1.3
307.04782	1.2
381.22861	3.9
399.23969	16.5
400.24298	1.2
441.24908	5.3
441.29678	0.5
459.19687	0.6
501.32413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3226
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
51.30472	0.3
56.59398	0.3
57.03454	100.0
57.75943	0.3
58.03806	1.0
59.01385	88.8
60.01710	0.9
69.26401	1.4
69.26810	0.5
71.01382	2.7
71.05045	1.5
72.99330	0.5
73.02962	1.4
81.03464	4.1
83.01379	0.8
83.61612	0.3
85.02973	1.3
87.00848	0.3
88.38334	0.4
89.02470	1.2
95.01435	0.3
99.04529	91.4
99.92607	1.0
100.04876	1.9
100.93360	0.7
101.02454	13.2
101.03104	0.7
102.02842	0.3
113.02468	1.2
114.04254	0.4
115.92096	1.1
116.92884	5.9
121.06615	0.4
125.02460	30.9
126.02778	0.4
134.03764	0.8
135.04533	1.3
143.03514	1.4
161.02478	1.1
161.04630	0.9
169.49194	0.3
175.03975	0.5
193.05063	0.7
224.88681	0.4
233.04555	0.8
301.96942	0.4
307.04526	1.1
315.18079	1.4
355.26395	0.7
357.19345	1.6
363.26773	1.0
377.28662	0.5
379.30048	0.8
380.83054	0.4
391.30188	0.4
393.27795	0.5
407.29691	0.8
409.31076	1.5
411.29034	0.8
423.29187	1.6
427.31967	0.5
441.30148	1.4
453.30142	10.8
454.30521	0.9
457.33075	0.6
483.31155	9.8
484.31332	1.2
501.32251	90.2
502.32584	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	501.3228
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
57.03470	1.5
59.01384	19.7
61.66817	1.2
72.99308	1.9
83.05043	6.3
86.44567	1.1
89.00666	1.2
109.29924	1.1
123.23205	1.3
134.03757	1.4
135.04494	1.7
136.36491	1.3
193.05081	1.6
229.50641	1.3
251.40053	1.1
307.04813	1.3
321.04120	1.5
373.27701	3.6
419.29773	2.3
429.29587	1.9
440.95847	1.1
455.31982	1.6
457.33276	1.8
458.70471	1.2
471.91687	1.3
483.31256	23.2
484.31552	2.9
501.32285	100.0
502.32721	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3226
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
53.34350	0.9
59.01375	1.6
73.30627	1.1
78.95908	5.4
86.77021	1.1
104.08315	1.1
224.06856	1.7
277.21741	21.3
387.87589	1.4
396.77982	1.2
427.32098	2.6
455.31848	9.1
501.32285	100.0
502.33200	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	501.3227
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
69.44765	5.6
69.45156	3.7
142.92618	2.0
164.89557	2.4
186.45294	2.4
306.48447	2.1
308.67560	2.7
321.04199	2.3
330.34427	2.1
395.24707	4.2
395.29605	53.9
396.29813	5.5
439.28204	12.2
453.30112	86.6
454.30502	6.7
455.31442	2.9
457.29749	5.5
471.31369	6.2
501.16672	3.5
501.32123	100.0
502.32462	9.1
510.16068	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	501.3229
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
54.69741	0.3
55.08759	0.2
58.06693	0.2
67.26255	0.2
69.66632	1.0
71.05023	1.7
73.02953	0.5
81.26453	0.2
103.41585	0.2
224.46796	0.2
353.25189	0.4
355.26608	1.1
363.27008	0.8
377.28525	1.0
379.30145	0.9
389.28796	0.4
391.29974	0.6
393.27966	0.4
407.29636	1.0
409.31174	2.0
411.29062	0.5
423.29187	2.1
427.32193	0.5
435.29175	0.5
441.30292	1.4
453.30130	15.0
454.30511	1.6
455.31778	0.5
457.33112	1.0
471.31271	2.0
483.31195	11.3
484.31354	0.9
501.32281	100.0
502.32581	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	501.3226
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.03442	1.6
59.01366	0.4
84.34451	0.3
134.03775	0.5
141.32767	0.3
141.44176	0.3
144.74414	0.3
167.39571	0.3
188.61382	0.3
199.30907	0.3
245.66692	0.3
293.98550	0.3
299.16418	0.3
307.04718	0.4
342.69330	0.3
391.30099	0.8
407.29480	0.3
409.30890	0.6
412.69589	0.3
427.32202	1.1
453.30035	0.9
455.31717	11.8
456.32004	1.1
501.32275	100.0
502.32596	9.4
527.88312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3231
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
59.01378	5.1
69.96195	0.7
71.05028	1.5
71.25713	0.9
134.03749	2.0
138.82953	0.6
161.02454	0.9
233.04688	1.5
307.04526	0.8
393.31583	1.1
419.29282	0.8
421.31262	2.9
439.32080	2.3
441.30289	1.8
483.31210	11.2
484.31912	1.3
501.32285	100.0
502.32660	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	501.3228
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
59.01118	1.0
59.01381	5.0
61.98856	0.9
69.49179	4.3
70.93922	0.8
71.05027	1.8
79.14671	0.9
101.37120	0.9
110.29210	0.9
112.98794	1.8
121.02873	1.1
134.03760	4.3
135.04477	2.3
149.06093	1.2
161.02434	2.4
162.03265	1.0
193.05038	2.9
199.24135	0.9
233.04594	2.9
267.92029	0.9
307.04639	3.1
308.04926	1.0
322.80136	1.0
324.51334	1.0
327.49185	1.0
363.26575	2.0
377.28574	1.1
423.28949	1.6
441.30057	1.2
453.30087	8.2
454.30887	1.5
471.31061	2.9
471.42041	1.0
483.31149	10.7
501.32260	100.0
502.32578	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	502.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24072	1.9
57.03467	2.2
59.01384	40.7
69.12602	10.5
71.01393	34.3
72.99324	3.3
73.02950	23.0
83.01388	7.8
85.02958	18.4
87.00876	3.8
89.02475	11.1
93.03423	3.0
95.01369	3.8
96.96018	4.6
97.02991	2.8
98.04936	2.1
99.00905	3.7
101.02449	43.0
103.04035	5.0
109.02969	6.0
113.02475	13.4
119.03515	3.6
131.03487	2.2
133.02995	2.9
134.03789	3.0
135.04556	15.0
137.02480	5.1
143.03519	3.9
151.11298	2.4
159.03024	2.8
161.04538	18.4
163.06128	25.9
176.29686	2.1
185.02380	3.9
205.07170	8.0
276.64359	2.2
277.05121	2.9
277.29626	2.1
279.02911	3.9
282.08798	2.7
283.09323	3.7
293.04459	3.4
295.06174	2.8
313.16562	28.1
321.04044	10.4
339.04968	7.6
342.14252	3.1
370.14020	3.3
384.15198	2.2
400.14731	2.5
412.14694	2.9
427.13528	2.4
442.15991	6.5
459.22382	100.0
460.22772	9.0
484.16724	4.8
502.18045	7.9
503.10077	2.7
503.33655	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	502.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.0
60.71062	0.1
69.42683	0.5
71.01394	0.3
78.95912	6.8
79.72891	0.2
86.84884	0.1
127.07714	0.2
127.95680	0.1
137.82828	0.2
152.99623	0.6
168.04294	1.9
194.93155	0.2
224.06898	1.2
233.22736	0.4
242.08011	3.0
259.20676	0.4
275.20059	0.4
277.21741	100.0
278.22079	6.3
502.29425	6.7
503.29623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2944
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
55.67773	0.2
56.48337	0.2
57.40423	0.2
59.01388	1.2
67.04095	0.2
71.01424	0.3
78.95911	29.1
80.15519	0.2
96.96954	0.5
98.22699	0.4
116.64901	0.2
121.04237	0.2
124.17481	0.2
127.07684	0.3
127.28335	0.2
134.98584	0.3
139.98857	0.2
152.99611	3.4
168.04327	4.2
169.04697	0.2
170.00185	0.2
186.72255	0.2
194.05905	0.2
199.56439	0.2
205.19505	0.2
224.06950	11.4
233.22737	0.2
242.08008	2.9
243.69615	0.2
259.20767	0.4
273.67670	0.2
275.20102	0.4
277.21744	100.0
278.22070	6.4
332.38666	0.2
502.29404	22.5
503.29660	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	503.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44209	1.4
56.23233	1.4
57.03446	1.8
58.21329	1.4
59.01387	21.9
65.39304	1.3
66.14281	1.6
67.15746	1.4
71.01395	9.5
71.41689	2.1
72.99319	97.2
73.02962	2.1
85.02979	2.5
87.00904	2.5
89.02445	7.5
93.03498	4.6
96.96040	3.6
97.02959	1.7
100.00125	1.5
101.02464	5.9
107.05013	2.1
109.02977	8.0
113.02463	3.9
119.05029	3.1
121.02997	2.3
122.03739	2.0
123.04542	5.0
128.03551	1.9
133.02983	26.2
134.03815	3.9
135.04549	33.5
136.05298	6.4
137.02419	11.1
137.06078	4.8
145.02956	2.0
145.06621	3.7
147.04549	7.1
148.05322	12.0
151.04094	1.9
151.07661	40.4
158.03746	2.4
161.02463	100.0
161.04579	3.8
161.06120	6.8
162.02901	4.6
163.04027	5.7
163.06276	3.8
163.07664	71.4
164.08011	2.5
171.04643	2.0
173.06107	18.3
173.57611	1.7
176.04776	17.9
177.05562	7.0
179.03548	17.4
179.05685	3.3
179.07123	20.9
179.13539	1.9
181.05013	3.9
185.02475	2.6
189.05589	14.0
191.07149	19.9
195.06726	3.7
197.04538	4.3
203.05582	1.6
205.05072	9.4
207.06595	10.8
217.05057	15.0
221.06517	2.7
229.01843	4.3
230.02182	1.9
233.04578	6.7
235.06128	17.2
238.54901	1.8
239.19708	1.8
251.05528	9.9
253.07172	37.3
261.04034	15.3
265.05020	2.2
269.06635	22.1
277.05023	3.6
279.05151	85.0
280.05692	3.9
293.04425	2.5
295.06134	6.1
297.06186	70.9
298.06567	3.7
321.04129	6.0
323.04083	3.6
339.05118	13.0
340.05096	1.6
341.05212	3.2
415.10364	2.9
422.92273	1.7
441.08478	12.7
459.09244	10.1
467.19299	10.9
503.08209	18.4
503.15051	2.2
504.08359	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75106	0.6
57.39177	0.7
57.57668	0.7
59.01390	3.0
65.94749	0.6
68.73184	0.8
71.01360	1.3
72.99309	1.1
73.02901	0.9
89.02460	1.0
91.01854	0.9
93.03469	1.3
96.96002	1.0
98.22720	1.3
101.02431	0.7
105.49480	0.6
106.88824	0.8
107.01344	0.6
107.05015	1.2
108.02150	1.3
109.02963	27.4
110.03243	0.8
113.04008	1.0
117.03442	1.0
119.05054	3.3
121.02921	1.0
123.04488	0.9
128.84381	0.6
133.02943	1.9
134.03767	3.5
135.04544	33.6
136.04878	1.2
137.02437	2.3
145.02957	0.9
147.04536	1.8
149.02444	0.6
149.06030	0.7
157.02997	1.5
159.04469	1.8
160.01711	1.0
161.02475	1.1
163.04091	1.4
165.07097	0.7
173.02480	1.8
175.04028	1.9
179.03531	2.7
181.05083	3.1
185.02454	17.7
186.03261	4.9
191.05075	0.9
193.05099	1.2
193.06607	3.8
197.06131	1.0
204.05783	0.9
207.04588	0.9
207.08147	0.9
208.05466	0.6
209.06102	1.7
219.02344	1.1
219.04518	23.3
220.05188	4.5
221.06108	6.4
223.04034	1.9
224.04739	1.6
225.05637	3.6
229.01529	1.2
232.05307	1.6
233.05986	3.9
235.04092	1.1
237.05627	2.4
239.07173	1.6
247.04002	14.1
248.04753	5.7
249.05571	9.3
250.06250	2.1
251.03479	7.8
251.07237	1.5
252.04179	3.0
254.09579	2.6
260.04572	0.8
261.05682	0.9
263.03455	1.5
264.04291	2.9
265.05075	13.4
266.05698	2.0
266.09586	0.8
267.06601	4.9
269.11853	4.9
275.03513	1.6
276.04282	2.8
277.05060	12.4
278.02219	1.2
278.05557	1.2
279.03030	14.2
279.06476	2.2
280.03729	5.7
281.04175	0.7
281.11893	2.4
291.03027	3.9
292.03778	1.4
293.04568	10.7
294.05005	1.2
295.06128	15.3
296.06284	0.7
298.12054	4.4
299.12924	13.2
303.03024	2.9
305.04565	1.3
308.03302	0.7
321.04065	100.0
322.04398	5.8
323.05624	8.6
339.05118	37.8
339.09366	1.2
340.05527	2.6
383.09122	1.2
415.11917	3.8
470.16791	0.7
485.32745	0.7
503.09924	9.4
503.19144	6.4
503.34033	5.7
504.10822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79611	0.7
62.44519	0.7
69.19910	3.8
69.20315	1.3
100.36977	0.8
108.02145	1.1
109.02962	36.5
110.03256	1.0
113.03986	2.0
116.90045	0.7
119.05037	4.8
135.04564	1.6
147.04581	1.6
149.02483	1.0
157.02985	2.4
159.04546	1.0
163.04077	3.1
173.02472	2.1
175.04073	1.2
181.05075	3.1
184.01672	1.0
185.02443	22.3
186.03232	7.0
193.06659	2.2
205.06551	1.0
209.06062	2.2
219.04613	1.5
220.05322	1.8
221.06064	5.0
222.03299	1.0
223.04013	2.9
224.04820	1.8
225.05545	4.6
232.05394	1.7
236.04898	1.3
237.05600	2.5
239.07217	2.0
247.03992	3.2
248.04855	4.2
249.05586	10.1
250.06212	1.6
251.03522	8.7
252.04222	4.7
253.05025	1.0
260.04684	0.9
263.03452	1.4
264.04276	2.3
265.05072	15.0
266.05594	2.8
267.06644	5.9
275.03610	1.9
276.04282	3.0
277.05112	14.6
278.02231	1.9
278.05261	1.1
279.03012	20.3
280.03720	7.3
281.04443	1.0
292.03748	1.3
293.04596	14.4
295.06116	17.1
296.06531	1.6
303.02951	4.3
321.04062	100.0
322.04456	6.9
339.05136	28.9
340.05490	2.1
351.25409	0.9
503.09668	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	503.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.0
59.01384	100.0
71.01390	36.5
71.20313	6.4
72.99304	9.4
73.02962	7.5
75.00872	17.5
85.02955	9.5
87.00880	7.8
89.02461	35.0
95.05027	6.2
96.96021	28.0
96.96977	7.7
97.02971	9.4
99.00876	5.7
100.93369	10.0
101.02447	21.8
105.03459	13.7
107.72325	4.2
109.02959	19.8
112.98869	6.6
113.02479	16.0
116.92872	17.4
117.03474	8.7
119.03491	14.1
119.05037	10.7
123.04589	5.5
133.02959	68.7
134.03725	6.2
135.04533	20.2
145.02975	66.0
149.06059	4.5
151.04045	8.4
161.02525	22.1
161.04688	4.4
161.06110	5.4
163.03996	12.7
173.06015	4.9
177.01936	27.0
179.03529	16.2
179.05609	9.5
221.04608	5.6
245.11626	6.1
250.37851	4.8
251.05711	5.7
260.28928	5.0
265.07327	5.2
267.06628	5.6
274.47177	4.8
281.13950	7.8
310.99005	5.2
323.15082	11.3
325.09283	13.3
341.08826	7.9
357.10400	10.6
365.15994	14.9
413.46594	5.0
503.13571	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.0
59.01384	100.0
71.01390	36.5
71.20313	6.4
72.99304	9.4
73.02962	7.5
75.00872	17.5
85.02955	9.5
87.00880	7.8
89.02461	35.0
95.05027	6.2
96.96021	28.0
96.96977	7.7
97.02971	9.4
99.00876	5.7
100.93369	10.0
101.02447	21.8
105.03459	13.7
107.72325	4.2
109.02959	19.8
112.98869	6.6
113.02479	16.0
116.92872	17.4
117.03474	8.7
119.03491	14.1
119.05037	10.7
123.04589	5.5
133.02959	68.7
134.03725	6.2
135.04533	20.2
145.02975	66.0
149.06059	4.5
151.04045	8.4
161.02525	22.1
161.04688	4.4
161.06110	5.4
163.03996	12.7
173.06015	4.9
177.01936	27.0
179.03529	16.2
179.05609	9.5
221.04608	5.6
245.11626	6.1
250.37851	4.8
251.05711	5.7
260.28928	5.0
265.07327	5.2
267.06628	5.6
274.47177	4.8
281.13950	7.8
310.99005	5.2
323.15082	11.3
325.09283	13.3
341.08826	7.9
357.10400	10.6
365.15994	14.9
413.46594	5.0
503.13571	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51130	0.7
51.58207	0.7
55.28035	0.6
59.01153	0.7
59.01390	5.6
66.99595	0.7
69.19458	1.5
69.19847	2.1
71.01393	5.7
71.20214	0.7
73.02968	1.7
78.25935	0.8
81.92850	0.7
85.02955	2.1
87.00903	0.8
89.02448	2.1
98.21892	1.2
99.47408	0.6
101.02442	3.3
109.02998	0.9
113.02492	1.4
115.18166	0.6
119.24438	0.7
125.02447	1.1
126.41018	0.6
131.03487	0.9
132.02168	1.1
133.02980	21.5
134.03760	1.6
135.04546	29.4
137.02419	1.1
148.05241	1.4
149.06084	2.8
161.02464	100.0
162.02788	2.2
177.05579	9.5
179.03516	34.7
180.03801	1.6
182.87912	0.7
203.03561	0.8
221.04590	15.3
221.06778	0.9
231.74597	0.7
233.04468	0.7
244.91901	0.8
246.92809	0.8
251.05615	14.5
281.06686	25.7
282.07050	1.9
323.07767	2.6
341.08807	24.0
342.09204	0.8
383.09866	51.6
384.10373	3.4
413.10876	8.4
414.11569	0.9
443.11972	4.3
503.14517	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	503.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55005	0.6
59.01389	3.8
69.94456	0.7
70.10651	1.0
70.10984	1.4
71.01395	5.0
73.02940	2.0
82.61778	0.7
83.01402	0.9
85.02950	1.5
87.00907	1.1
89.02464	1.9
101.02444	3.6
109.02943	1.2
113.02483	1.8
125.67789	0.7
132.02173	1.5
133.01938	0.7
133.02962	22.3
134.03719	2.3
135.04536	25.4
136.04930	0.7
145.55611	0.8
148.05270	0.6
149.06084	4.7
157.24724	0.6
159.31903	0.6
161.02457	100.0
162.02812	3.2
177.01965	1.0
177.05583	8.7
179.03513	36.5
180.03838	0.9
182.88416	0.7
199.53450	0.7
203.03577	1.3
221.04559	17.4
222.04980	1.0
233.46465	0.6
251.05620	18.8
252.05858	0.9
254.88699	0.7
281.06693	32.5
282.07047	1.5
323.07791	3.2
341.08780	32.6
342.09229	2.0
383.09866	64.7
384.10165	4.5
413.10925	10.4
414.11108	1.1
443.11951	6.1
503.14191	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	503.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47631	0.8
54.05886	0.7
59.01387	17.5
71.01387	12.2
73.02956	2.0
77.18760	0.7
83.90781	0.6
85.02966	2.3
87.00904	6.1
89.02458	10.8
93.03473	1.5
95.01402	1.1
101.02455	6.8
113.02442	4.6
117.03456	1.2
119.03529	3.1
132.02193	2.1
133.02974	29.6
134.03497	0.7
135.04533	16.4
137.02483	1.1
143.03535	0.7
149.06113	0.8
156.70459	0.7
160.84285	0.8
161.02461	100.0
161.04602	4.0
162.02769	4.0
162.83911	1.2
163.04037	1.7
177.05588	2.3
179.03523	13.2
179.05626	9.9
181.10463	0.8
221.04578	1.7
221.06705	3.3
251.05591	1.5
281.06744	1.2
341.08530	4.7
366.48969	0.7
385.51019	0.8
467.95859	0.9
503.14117	61.6
504.14655	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.6
69.03468	0.8
69.25434	2.0
69.25835	1.0
71.01025	0.7
71.01393	11.2
72.76405	0.5
73.02960	1.6
83.01411	0.8
85.02959	2.8
87.00885	1.8
89.02459	8.4
93.03455	0.7
95.01390	0.9
99.00924	0.6
101.02461	6.0
105.03457	0.8
107.05043	0.9
109.02941	0.9
113.02466	6.0
117.03513	1.4
119.03545	2.9
119.05013	1.9
126.02671	0.5
132.02083	1.1
133.02975	28.0
134.03763	1.6
135.04539	35.3
136.04817	0.6
137.02452	0.6
142.33702	0.4
143.03462	0.7
148.05296	0.6
149.06090	1.9
161.02461	100.0
162.02791	3.1
163.04082	0.6
175.04050	0.7
175.70973	0.5
177.05585	6.7
179.03513	32.2
179.05605	4.1
180.03868	1.2
203.03473	1.1
203.05577	0.7
221.04559	9.1
221.06636	2.5
251.05664	8.3
279.77869	0.6
281.06680	14.4
282.06863	0.6
295.76907	0.5
299.11353	1.5
323.07675	9.3
341.08749	10.0
443.15759	2.7
457.51587	0.6
461.16711	6.8
462.17401	0.6
503.14108	64.4
504.14496	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	503.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02455	1.0
59.01396	6.1
63.80552	1.4
69.14388	4.9
69.14789	2.4
71.01387	5.2
72.99323	3.0
73.02953	2.1
81.74566	1.2
85.02955	1.1
87.00886	100.0
89.02454	2.8
93.03466	68.0
98.21878	2.5
99.04525	2.1
101.02448	3.7
101.71864	1.3
113.02520	1.1
115.73228	1.0
119.03491	1.5
126.90505	1.4
135.04512	1.4
137.02463	26.3
149.27113	1.2
151.04028	9.2
151.06123	4.5
161.02428	2.8
163.04021	78.2
164.04410	2.5
177.05585	21.8
179.03517	22.2
179.05283	1.3
179.05762	1.4
180.03893	1.5
205.05081	2.9
221.06668	1.2
277.31308	1.3
364.75259	1.2
387.48007	1.2
415.12460	11.5
433.13611	2.7
503.14114	75.6
504.14407	6.0
519.66809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1563
Annotation	Dracunculifoside K
Peak:m/z	Relative Intensity
54.61498	0.5
57.03443	0.8
59.01386	11.9
69.43295	1.7
71.01391	2.1
72.99311	0.8
85.02978	0.9
87.00915	0.5
87.52756	0.4
93.03457	1.9
98.22657	1.0
99.04527	0.6
101.02477	0.8
104.52133	0.4
108.02172	2.3
109.02970	6.1
117.03479	21.5
118.03768	0.5
119.05039	12.0
121.02975	0.9
123.04512	2.3
133.02980	2.0
134.03749	1.6
135.04549	12.6
136.05339	4.3
137.02473	0.5
145.02971	100.0
146.03348	2.8
147.04507	0.7
149.06114	0.6
151.07648	2.0
153.05559	0.6
159.04556	0.7
161.02472	7.1
161.06085	0.8
163.04022	10.9
175.04063	0.8
177.05574	0.9
179.03468	4.4
179.07152	1.4
181.05072	1.5
185.02432	5.3
186.03163	0.9
187.04065	1.4
192.19322	0.4
195.06653	25.0
205.05060	0.9
221.04498	1.1
225.05710	0.8
247.06149	1.3
248.04930	0.9
249.05629	2.6
251.03473	2.0
251.05669	1.0
265.05179	2.3
267.06650	1.0
270.96994	0.5
277.05057	2.8
279.03040	3.4
279.06345	0.7
280.03851	1.0
281.06729	1.7
293.04614	2.9
295.06189	3.6
303.03046	0.8
305.04639	3.3
307.08267	40.1
308.08688	1.9
321.04071	24.1
322.04312	2.1
323.04919	0.7
323.07889	1.7
339.05066	9.8
341.08755	1.0
485.14383	0.9
503.10046	1.8
503.15747	32.3
504.15686	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	503.1623
Annotation	fagopyritol A2
Peak:m/z	Relative Intensity
55.01881	1.4
58.00583	1.8
59.01385	100.0
69.35840	3.5
69.36246	2.7
69.95512	0.9
71.01389	67.9
72.99329	1.3
73.02944	9.4
75.00849	1.3
83.01382	2.3
85.02968	13.0
87.00885	21.2
89.02455	77.6
95.01388	4.5
97.02943	2.4
99.00885	2.0
101.02454	49.9
101.94939	1.1
108.90228	1.5
110.89906	2.8
113.02464	28.7
114.58603	1.1
119.03519	13.6
125.02451	3.8
131.03510	4.7
132.94661	1.3
138.98007	1.1
141.01950	1.4
143.03513	9.2
149.04539	2.4
161.02483	2.2
161.04590	17.3
179.05630	77.3
180.05934	1.6
182.97008	4.9
191.05608	2.8
214.31436	1.1
221.06683	46.1
222.07014	1.3
239.90036	1.0
281.08820	4.1
323.09811	8.7
341.10901	4.9
372.39178	1.3
383.11859	2.1
404.90387	2.1
503.16226	43.2
504.16452	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	503.1622
Annotation	Raffinose
Peak:m/z	Relative Intensity
53.40947	0.6
55.01881	1.0
57.03448	1.9
57.63626	0.7
58.00602	1.5
58.41135	0.6
59.01384	100.0
60.01738	1.2
63.22725	0.7
69.03444	1.5
69.67531	1.2
69.67927	1.4
71.01388	66.5
72.01733	1.1
72.99326	1.8
73.02961	8.3
75.00887	1.1
81.51750	0.7
83.01383	3.5
85.02963	9.4
85.61054	0.7
87.00885	18.6
87.01384	1.2
89.02454	78.1
90.02797	0.6
95.01393	4.2
96.86753	0.7
97.02979	2.3
98.22655	1.3
101.02453	47.6
102.02824	0.9
108.26092	0.6
113.02458	27.8
115.04005	0.7
119.03520	13.8
125.02462	3.6
127.59557	0.6
129.01952	0.9
130.69437	0.6
131.03539	4.8
135.50670	0.7
136.26593	0.7
138.97107	0.6
141.01987	1.8
141.25096	0.6
143.03493	9.6
149.04584	3.3
161.04579	16.2
161.05878	1.3
179.05626	87.9
180.06017	2.0
195.72566	0.7
214.75838	0.7
217.00266	1.5
221.06677	50.3
221.99669	0.7
222.07068	2.3
229.73044	0.7
263.07669	2.1
267.81232	0.6
281.08798	4.2
323.09943	6.4
341.10867	5.0
355.62125	0.7
383.12326	0.8
503.16254	48.2
504.16513	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	503.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20184	1.4
58.15352	1.3
59.01371	2.1
61.99640	1.4
69.53185	6.1
78.95913	14.0
99.44296	1.4
113.26691	1.4
141.84077	1.6
149.02449	1.9
164.49377	1.3
168.04341	3.6
176.01257	2.7
177.01935	1.5
187.03954	2.0
209.06007	3.4
237.05540	5.3
238.06392	6.1
239.07230	12.2
242.07990	5.8
277.21777	100.0
278.22116	90.6
279.22513	2.3
337.58011	1.6
340.10892	2.0
341.11319	1.8
351.10178	4.5
367.09753	2.1
368.10748	1.7
369.11035	1.9
377.08762	1.6
379.09613	3.2
395.09189	5.5
395.14020	1.5
396.09952	3.1
397.10910	3.7
407.09286	2.5
413.10400	11.6
423.08759	12.9
424.09509	11.5
425.10364	61.1
426.10785	5.7
428.12714	6.3
436.74557	1.5
441.09531	3.4
455.11298	5.5
456.12183	67.9
457.12457	5.6
472.15173	1.9
485.32739	1.5
488.14886	3.3
502.29340	3.3
503.17154	30.1
503.29761	6.5
504.17453	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	503.1781
Annotation	Coniferinoside
Peak:m/z	Relative Intensity
55.01881	6.2
59.01386	100.0
71.01389	69.2
72.99315	6.2
73.02952	34.0
83.01411	13.7
84.76328	2.8
85.02959	22.4
87.00887	62.6
87.01391	4.7
89.02457	52.1
93.03474	46.4
95.01434	4.0
95.19952	2.9
99.00901	4.8
99.04549	3.9
101.02457	57.1
113.02464	38.2
119.03548	16.8
119.05022	30.5
121.03048	3.1
131.03546	14.0
135.04552	6.5
137.02463	21.7
137.06088	15.4
142.65234	2.9
143.03508	7.5
149.04695	3.7
151.03999	11.1
161.02589	4.2
161.04561	24.0
163.04022	41.1
177.05641	14.9
179.03627	17.1
179.05632	35.1
191.75676	3.0
203.05589	3.0
221.06673	33.1
246.67015	2.9
246.95856	3.2
263.07745	7.5
281.10287	19.9
283.19354	2.7
299.11398	11.5
341.12262	15.3
363.12399	3.2
443.16068	4.4
461.16718	37.6
503.14554	25.5
503.17456	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.6
65.50108	0.8
69.56465	3.9
71.01386	11.1
72.99310	12.8
73.02944	3.2
82.95045	0.8
85.02949	5.2
87.00899	2.9
88.02168	0.9
89.02444	7.9
89.03957	1.3
92.14639	0.9
98.21888	1.0
99.00935	1.4
99.04541	1.2
101.02447	4.2
108.02190	1.2
109.02959	2.9
111.00923	1.3
111.04494	1.1
112.98816	5.2
113.02412	1.7
114.99245	1.6
117.03481	5.9
119.03520	2.6
119.05085	1.2
123.04571	1.6
124.01592	1.0
132.02185	19.0
133.02983	6.9
134.03755	60.3
135.04602	8.0
136.04266	1.2
145.06567	2.7
146.03722	1.2
147.04521	3.3
148.05324	1.8
149.06088	9.3
151.04066	2.9
151.07607	2.3
158.03748	2.2
159.04512	1.3
160.01674	95.4
160.74854	1.1
161.02457	14.0
161.06036	1.1
162.03157	3.0
163.03894	1.8
163.07657	5.6
165.07726	6.5
173.06105	4.1
174.03278	1.2
175.04018	100.0
176.04657	8.3
177.01962	2.8
177.05524	2.0
177.69864	1.0
178.02736	3.9
179.03488	3.3
179.05672	1.4
179.07150	1.5
189.05624	2.9
190.02707	1.6
191.07166	9.9
192.07561	1.1
193.05080	75.2
194.05463	3.2
204.04279	1.1
205.05045	3.1
206.05324	1.3
207.06644	3.3
217.05078	1.8
233.04509	6.6
234.04903	4.5
235.06259	18.4
253.07227	2.1
265.07254	3.0
267.06607	1.4
269.06525	1.1
279.05109	7.6
281.14020	1.5
283.09833	1.3
295.08316	5.2
297.06281	5.5
307.04691	3.8
308.05109	5.5
309.05090	8.5
309.11896	2.1
310.05188	1.0
323.04135	1.9
337.09354	1.9
341.05234	1.2
503.17804	89.9
504.18082	6.7
506.27158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2088
Annotation	Artoindonesianin L
Peak:m/z	Relative Intensity
53.05989	1.0
59.01385	1.0
67.87398	0.9
70.05396	1.6
78.95913	2.4
93.12318	1.0
110.98563	1.1
125.02528	1.1
196.74474	0.9
277.21722	21.4
278.22067	1.7
319.13458	1.8
333.11240	1.2
335.17569	2.8
341.11566	1.2
349.14557	2.9
357.11398	1.2
369.14929	4.6
370.15851	1.8
371.12811	1.4
373.18112	1.5
383.16049	1.1
385.18271	11.8
392.12933	1.2
400.16949	1.7
401.17767	3.7
412.16824	3.3
427.15591	1.5
428.16086	1.3
429.17303	6.0
443.18634	1.5
445.12128	3.4
445.16638	8.6
445.23669	5.7
459.18311	3.0
460.18933	37.5
460.25366	2.3
461.19354	4.4
471.18951	1.4
488.18448	100.0
489.18866	9.5
503.20813	77.9
504.21042	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	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.3
59.01385	100.0
60.01856	1.3
62.68959	1.5
69.03490	1.7
69.19103	5.0
69.19508	5.3
71.01387	33.6
71.05019	3.6
72.99312	2.3
73.02977	9.8
75.00869	6.7
79.48374	1.5
83.01359	2.0
85.02970	10.9
87.00878	3.7
89.02449	27.8
95.01373	2.4
95.04935	1.5
96.96021	3.7
96.96949	2.8
97.02959	4.7
97.18882	1.8
99.00880	4.8
99.92595	14.4
100.93370	59.3
101.02454	22.5
101.93398	2.3
109.02958	6.6
113.02474	15.7
115.92089	65.8
116.92157	2.1
116.92872	36.4
119.03518	18.3
121.86510	1.7
123.04595	1.9
131.03654	1.6
133.02977	13.3
134.03708	2.1
135.04547	11.3
143.03456	2.7
144.64053	2.0
145.02950	7.7
151.04036	2.2
151.07675	1.8
161.02460	29.1
161.04501	4.2
162.02992	1.8
163.04033	3.5
163.07672	3.5
168.24141	1.5
177.05592	2.5
179.03499	11.7
179.05614	3.1
201.12842	2.0
205.05113	2.0
217.12358	6.1
221.04564	4.5
231.13728	2.7
235.13377	4.6
243.13867	1.7
245.11853	19.9
259.96317	1.6
263.12976	16.5
267.33939	1.8
279.41916	1.6
281.06653	5.4
281.14075	7.8
281.16635	1.8
287.17291	1.6
293.13962	3.8
299.01794	1.7
323.15085	7.7
341.08801	6.0
357.10315	3.6
365.16080	11.6
383.09579	3.1
425.18277	14.3
434.75555	1.8
443.19095	5.9
467.10187	19.6
485.11221	5.4
503.12787	39.6
504.12900	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	503.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	22.9
59.82713	1.7
69.03444	2.3
69.21388	1.6
70.41723	2.4
70.42056	2.8
71.01386	17.7
72.99323	2.8
73.02951	8.8
75.76568	1.7
76.21187	2.0
83.80643	1.8
85.02956	18.1
88.98418	1.5
97.02943	2.2
99.00922	1.7
101.02449	4.0
103.11395	1.7
113.02472	4.1
125.02473	2.6
135.04552	3.2
140.05586	1.8
149.71609	1.9
155.03593	2.0
155.58609	2.1
161.02483	3.7
225.50096	1.7
241.16020	6.9
243.17606	5.6
253.15926	3.1
257.19064	12.8
267.17603	2.9
269.15509	8.1
271.17081	5.4
273.04974	1.6
281.15460	2.3
285.18695	3.9
295.17007	4.2
297.15018	41.9
298.15768	20.8
299.16547	58.3
300.16815	2.6
311.16724	2.0
313.18063	9.2
321.04269	4.6
341.17535	18.6
485.32782	33.7
486.33359	2.3
503.22488	4.8
503.33862	100.0
504.34061	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	503.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	18.0
61.45604	4.3
97.84152	4.2
136.16621	4.2
143.43207	5.1
161.02457	10.7
179.60321	4.0
233.79654	4.0
247.57747	4.3
299.16513	14.4
367.11624	4.4
478.16107	5.1
485.32520	6.6
503.16754	5.2
503.33804	100.0
504.33560	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	503.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84971	0.7
57.03441	0.9
57.47688	0.8
59.01384	19.5
68.25293	0.9
70.90853	0.9
71.01385	2.2
71.05035	1.6
71.43210	0.9
73.02930	1.3
85.02962	2.3
88.15887	0.8
96.96022	0.8
99.04580	0.8
101.02448	1.6
106.14938	0.7
113.02469	1.7
117.03442	0.9
135.04514	1.9
136.01646	0.9
145.02971	3.2
151.04007	1.2
161.02469	3.4
161.04573	1.1
163.04062	0.8
170.19983	0.8
179.03581	0.9
244.32649	0.9
307.08157	1.2
391.29599	1.0
399.24200	2.2
409.31244	2.8
421.31152	2.3
423.28873	1.1
443.31555	2.2
453.30106	5.7
471.31412	1.0
485.32825	11.6
486.33231	0.9
503.33835	100.0
504.33997	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	503.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44332	57.8
66.50043	63.5
68.51107	59.7
69.95234	66.0
78.16821	71.2
89.39392	68.2
98.22731	88.0
127.18340	55.1
130.67128	61.7
141.30702	63.8
213.89233	66.7
277.21680	100.0
503.20883	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3381
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
59.01389	0.3
116.74252	0.2
133.02921	0.2
161.02498	0.4
377.28348	0.8
379.30475	0.3
389.28302	0.2
407.29782	1.4
408.29782	0.2
503.33844	100.0
504.34189	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	503.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28427	0.3
55.01879	0.5
57.03448	1.2
58.49105	0.3
59.01384	4.7
69.12974	1.3
69.13404	1.0
71.01380	3.4
71.05025	1.6
72.99317	1.0
73.02949	2.1
73.77642	0.4
80.11495	0.3
81.03474	0.4
83.01398	0.9
85.02957	3.2
85.34444	0.3
87.00871	0.3
89.02453	1.0
95.01395	0.5
99.00893	0.7
101.02469	2.5
109.02962	0.7
113.02483	2.0
115.68360	0.4
117.03502	2.8
119.03513	0.4
119.05036	2.4
121.10258	0.8
123.04521	0.4
125.02438	0.8
133.02946	1.1
134.03726	1.1
135.04552	3.2
143.03535	0.6
145.02972	8.2
157.12314	0.5
159.03102	0.5
161.02458	3.0
161.04594	1.0
163.03992	1.4
166.30885	0.3
179.03548	1.7
183.13867	0.4
190.39717	0.3
193.05096	0.7
197.04614	0.4
237.05794	0.4
266.68512	0.3
281.04532	0.4
301.16574	1.0
309.04227	0.8
319.17645	0.5
321.04123	0.5
341.06567	0.5
345.19183	0.4
355.26349	0.5
359.28162	0.5
367.26462	0.6
377.29388	0.5
379.30270	0.5
391.30496	0.6
407.29498	0.7
409.31122	1.2
421.31113	1.7
423.29196	1.3
435.28818	0.7
443.31546	1.9
453.30051	6.6
454.30338	0.4
459.34689	1.2
465.18213	0.3
471.31216	1.1
485.32773	12.8
486.33121	1.3
503.19171	3.3
503.33804	100.0
504.34122	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	503.3387
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
59.01406	5.0
61.93913	1.0
61.98834	1.6
71.41062	0.9
72.99316	1.0
85.67943	1.1
86.14334	1.0
92.34991	1.1
111.37761	1.0
161.02446	1.7
237.03864	1.4
273.04599	1.0
503.33853	100.0
504.34256	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	503.3388
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
59.01383	0.9
61.98814	0.6
65.49604	0.6
69.04663	2.1
69.05083	2.7
70.93861	0.6
71.05003	1.2
73.02951	1.2
76.96803	0.6
79.50786	0.6
98.81046	0.6
109.02982	1.0
123.04501	0.8
135.04512	0.8
161.02396	0.9
212.90074	0.7
214.21584	0.7
236.91814	0.7
247.18394	0.7
277.05182	0.7
288.29382	0.7
299.16498	2.4
321.04166	1.3
339.05362	0.6
341.06747	1.4
407.29807	1.2
409.31445	0.8
421.31192	1.2
423.29230	1.0
443.31616	1.5
453.30029	4.9
459.35226	0.9
485.32803	14.3
486.32892	1.8
503.33838	100.0
504.34174	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	503.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06194	0.5
59.01376	2.8
71.01402	0.7
71.05030	1.1
79.59123	0.6
87.09341	0.5
134.39726	0.5
135.04535	0.7
142.39320	0.5
155.95779	0.6
161.02437	1.6
168.25679	0.6
193.05014	0.6
290.65878	0.6
411.88605	0.6
421.31116	1.0
437.30704	1.0
443.31522	2.3
447.60736	0.6
453.29852	1.0
455.30994	0.8
459.34906	0.8
485.32700	14.5
486.33115	1.1
503.33780	100.0
504.34076	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	503.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20077	6.0
72.96711	7.5
86.25556	6.6
161.02417	9.1
209.74623	8.0
216.06410	7.6
238.57381	7.9
423.32910	12.9
469.33218	100.0
470.33743	13.5
498.12289	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	503.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73265	0.3
71.05037	0.9
72.55965	0.4
72.69293	0.4
80.18674	0.4
88.96499	0.5
130.28998	0.4
164.32669	0.4
257.02689	0.5
270.75012	0.4
318.85941	0.5
335.75705	0.5
421.31171	1.5
439.32159	1.1
441.33667	0.5
443.31747	1.7
459.34760	2.2
485.32828	17.2
486.33252	1.5
503.33868	100.0
504.34204	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	503.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79173	0.6
58.00585	1.8
70.64668	0.6
97.06593	1.7
171.78293	0.6
268.31198	0.6
303.57074	0.6
381.28253	0.6
387.30664	1.1
389.28568	2.2
405.32040	0.7
406.28726	5.5
407.29388	1.4
421.31467	3.0
423.32767	7.8
424.33267	0.7
439.33038	0.6
469.33261	100.0
470.33624	9.4
471.31137	1.8
503.33820	9.3
504.34970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26230	0.4
58.00584	0.7
59.01385	6.5
69.36069	0.6
69.36462	1.4
69.44917	0.4
71.01398	0.4
71.05027	1.2
72.99323	0.9
75.92236	0.4
97.06599	0.4
106.06644	0.5
127.41896	0.3
133.02969	1.6
135.04594	0.8
140.28215	0.4
161.02463	5.6
172.39984	0.4
179.03511	0.5
181.05064	0.8
258.56970	0.4
299.13989	0.5
305.46310	0.4
320.80597	0.5
325.29614	0.4
341.60913	0.5
377.28461	0.4
406.28510	1.0
407.29633	0.7
419.29758	0.5
421.31268	1.4
425.30630	0.7
443.31494	1.5
453.30130	1.6
459.34906	0.5
467.31815	1.2
485.32794	14.7
486.33093	1.6
503.33856	100.0
504.34277	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	503.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
65.29445	0.7
73.78027	0.8
126.37283	0.7
169.67419	0.7
180.00037	0.7
185.02444	1.2
197.04469	0.9
205.85579	0.8
228.29863	0.7
288.66516	0.8
321.03796	0.9
413.13092	0.9
462.58276	0.8
471.14548	2.4
503.17892	8.7
503.33844	100.0
504.17590	0.9
504.34085	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	504.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29334	0.3
57.28253	0.3
57.68333	0.3
59.01367	0.9
69.66001	1.2
69.66349	0.6
72.99313	9.3
74.02480	2.3
74.79759	0.3
77.03963	0.4
87.76550	0.4
93.03475	0.5
109.02956	1.4
117.03490	0.6
118.02983	0.8
119.05045	3.3
123.04529	0.5
132.02173	1.7
133.02971	24.5
134.03445	0.5
135.04530	7.2
136.04865	0.5
144.04488	0.4
145.03015	2.5
146.02502	0.5
147.03291	1.3
148.04048	1.0
149.02502	0.5
149.58980	0.4
160.04066	0.5
161.02458	100.0
162.02803	2.6
163.04063	0.5
168.58719	0.4
174.05650	0.6
176.03487	0.9
178.05121	0.5
179.03523	3.3
185.02444	1.1
194.73734	0.4
197.04544	1.0
247.29716	0.4
252.06607	0.5
253.07373	2.3
264.06720	0.8
265.07520	1.1
268.09781	1.7
290.08893	0.5
293.04568	0.6
295.06137	0.9
298.10910	0.8
298.15332	0.5
299.16605	0.6
321.04077	1.1
322.04514	0.8
324.08920	0.8
327.07544	1.1
339.05112	1.3
342.09821	9.8
343.10159	0.8
358.09442	1.1
504.13214	1.6
504.28586	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	504.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.2
59.01390	1.2
69.40856	0.4
69.41250	0.5
71.01369	0.3
72.98898	0.4
72.99313	7.2
73.99628	0.2
74.02484	1.1
93.03447	0.5
98.75295	0.2
99.04559	0.2
101.02467	0.3
105.03471	0.4
106.04249	0.2
109.02930	0.2
110.59641	0.2
113.02435	0.2
115.01917	0.3
118.02991	0.8
119.05038	3.3
131.03775	0.6
132.02164	1.3
133.02969	24.7
134.03351	0.6
135.04541	7.0
144.04561	0.3
145.02989	0.5
146.02496	0.3
147.03304	1.2
148.04054	1.0
151.11298	0.2
158.02473	0.2
159.03282	0.2
161.02460	100.0
162.02806	3.0
162.05673	0.3
174.05717	0.4
176.03517	1.4
178.05116	0.6
179.03522	3.0
197.04691	0.3
213.73909	0.2
218.04648	0.3
252.06609	0.6
253.07417	2.4
254.08090	0.3
263.12875	0.2
264.06668	0.8
265.07446	1.3
266.08240	0.8
268.09909	1.4
274.54636	0.3
280.09903	0.3
281.07019	0.4
298.10883	0.6
324.08878	1.0
327.07498	1.4
342.09827	8.3
343.10043	0.7
367.56769	0.2
447.63507	0.2
503.33829	0.6
504.13165	1.8
504.28131	1.4
504.34464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.3
59.01390	22.5
60.33029	1.8
69.10003	4.7
69.10410	11.9
71.01389	21.7
72.99303	8.7
73.02954	10.6
83.01404	6.5
85.02946	13.2
89.02469	3.2
93.03429	2.0
95.76355	1.8
96.46831	2.2
99.00891	3.0
101.02461	23.4
109.02965	12.9
113.02466	12.9
121.02976	2.8
134.03648	2.7
135.04538	24.8
137.02457	3.6
159.03029	2.5
161.02444	5.0
161.04582	10.0
179.03487	7.4
185.02510	5.5
197.04584	4.8
238.69194	2.0
249.05692	2.8
264.04459	2.0
267.06512	3.1
269.08435	2.1
277.04990	2.9
279.02988	3.4
280.03751	2.7
293.04611	2.5
295.06113	7.7
315.18121	36.5
321.04062	13.4
322.04352	4.8
339.05130	8.3
340.05441	2.6
348.71085	2.2
434.40182	2.5
459.22394	4.4
461.23975	100.0
462.24213	7.5
504.24710	2.4
504.34021	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	504.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	0.4
61.80804	0.1
70.29563	0.2
70.29876	0.1
75.34674	0.1
78.95914	7.7
80.32471	0.1
81.93737	0.1
83.05031	0.1
152.99612	1.3
168.04338	1.5
171.00648	0.2
196.93990	0.1
224.06982	1.0
242.08023	2.9
245.04340	0.3
246.04895	0.1
248.24789	0.1
261.22247	0.4
277.21768	3.8
279.23325	100.0
280.23660	5.4
292.99219	0.1
325.23483	0.1
425.86047	0.1
439.22440	0.1
476.02173	0.1
504.31049	6.6
505.25183	0.8
505.31726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.1
59.01386	0.4
62.96421	0.1
70.47074	0.1
71.01392	0.2
71.55338	0.1
78.95915	22.8
83.05012	0.1
94.92282	0.1
96.96960	0.4
97.06610	0.1
104.97466	0.1
122.98547	0.3
134.98564	0.2
152.99608	2.8
163.58510	0.1
168.04340	3.2
171.00726	0.1
194.05940	0.2
224.06960	10.0
225.07292	0.1
227.03183	0.1
237.02965	0.1
242.08017	2.4
261.22314	0.5
277.18710	0.1
277.21771	2.2
279.23325	100.0
280.23669	5.1
415.22479	0.2
504.31033	20.6
505.25388	0.3
505.31415	1.3
526.86163	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	505.099
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01377	0.5
62.50176	0.1
63.02404	0.6
65.00322	1.4
69.51586	0.6
83.01377	1.0
84.54609	0.1
91.01862	0.3
93.03471	0.5
107.01398	3.0
107.18938	0.2
108.02189	1.9
109.02966	1.7
119.01422	0.3
119.05054	0.6
120.02153	0.2
121.02973	1.7
123.00847	0.2
123.04517	0.2
124.01659	0.3
125.02473	0.4
132.82390	0.1
133.02979	0.6
134.96013	0.1
135.00920	1.1
135.04552	1.1
136.01698	0.3
137.02463	0.5
139.03990	0.3
145.03014	0.2
147.00888	0.4
148.01674	2.1
149.02437	0.6
151.00381	10.2
152.01057	0.3
159.04515	0.4
161.02460	3.2
163.00391	2.8
163.03999	0.5
164.01164	0.9
165.01889	0.2
167.04897	0.2
169.01445	0.5
171.04489	0.3
173.06017	0.2
174.03261	0.2
178.99878	4.7
179.03525	0.4
180.00270	0.2
181.05104	0.6
183.04535	0.8
187.04044	0.6
190.02681	0.2
190.99843	0.3
192.00642	0.5
193.01379	0.3
197.04521	0.2
198.03189	0.4
199.04027	1.1
201.01939	0.3
201.05554	0.5
203.03523	0.4
208.03671	0.2
211.03969	1.3
213.01959	0.3
215.03505	0.8
216.04288	0.5
223.06059	0.2
226.02748	2.0
227.03505	4.3
228.04025	0.3
229.01317	0.3
229.05031	0.6
239.03458	0.5
242.02112	0.2
243.02989	13.1
244.03404	0.8
245.04507	1.3
254.02258	2.6
255.03001	29.7
256.03421	1.3
257.04562	0.5
266.02209	0.4
271.02493	64.5
272.02972	4.2
273.03961	1.2
283.02417	1.1
299.02042	1.3
300.02765	100.0
301.03506	42.8
302.03836	2.0
307.08658	0.2
314.84161	0.2
343.04468	0.5
343.08353	0.7
350.09018	0.2
357.62769	0.2
388.18024	0.1
463.08893	3.4
464.08911	0.2
505.09903	60.5
506.10208	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	505.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39934	0.3
70.34366	0.7
70.34699	0.6
79.92172	0.4
121.02972	100.0
122.03334	2.3
164.52985	0.5
180.05852	0.7
181.06631	3.1
197.06108	3.6
200.18388	0.4
207.04497	1.0
207.08121	0.5
225.05580	2.7
239.00011	0.4
251.07152	0.6
257.09857	0.5
295.06210	0.4
313.07162	5.4
329.08762	0.5
357.06293	0.8
373.10468	0.5
383.07767	1.4
417.09875	12.3
418.10321	0.8
505.11438	7.9
506.11682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.8
62.16360	2.0
71.01389	3.9
72.99328	4.0
73.25055	2.4
80.26000	2.0
80.65009	2.3
101.02431	3.9
103.66366	1.9
104.91077	1.9
123.04563	4.3
128.21547	1.9
133.02971	21.5
135.04523	11.2
145.02971	8.4
150.03188	2.3
151.03989	3.3
161.02461	100.0
162.02757	2.6
179.03511	4.2
190.30702	2.1
197.04561	6.3
238.89693	2.6
267.64679	2.2
269.08264	2.4
309.07758	2.3
313.07190	8.7
357.06277	3.0
359.07727	6.9
393.32632	2.5
504.34354	3.2
505.33957	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64635	1.7
50.93645	1.5
55.44955	1.6
58.00550	1.5
59.01389	74.0
59.22647	1.7
71.01397	6.0
72.99349	1.8
73.02953	2.9
85.02962	4.8
89.02473	1.7
90.44325	1.8
91.77378	1.6
93.03513	2.4
98.21912	4.7
101.02457	4.2
108.02149	2.2
109.02969	44.9
113.02470	4.4
119.05055	3.7
121.02989	3.0
123.04540	11.2
133.02997	4.8
134.03749	2.4
135.04555	13.7
137.02448	2.5
144.02162	1.5
145.03053	3.5
149.02463	4.4
150.03226	4.0
151.04031	9.0
159.04533	3.5
160.01495	1.6
161.02475	11.7
167.04941	1.6
172.01712	5.0
172.12244	1.7
179.03513	9.3
185.02541	9.9
186.03073	1.9
193.06653	2.9
200.01212	5.2
201.01990	4.4
213.01904	1.8
214.34424	1.5
219.04559	4.1
220.05246	1.9
220.49051	1.5
221.06117	12.8
223.04126	2.8
231.03023	15.2
232.05408	2.6
237.05589	8.1
247.04022	4.6
248.04817	10.3
249.05606	18.0
251.03542	8.6
263.03439	2.0
264.04343	4.0
265.05096	15.6
267.06674	3.6
271.02585	2.8
275.03564	4.2
276.04349	8.8
277.05075	16.6
278.05771	4.0
279.03015	12.9
279.06348	2.7
280.03665	2.7
292.03833	5.7
293.04602	46.9
294.05289	9.7
295.05936	8.2
300.02795	3.3
303.02969	4.6
307.06238	4.9
319.02988	2.2
319.06015	7.9
321.04074	100.0
322.04480	6.6
339.05127	20.0
353.06647	14.2
359.17087	1.8
363.05179	5.7
429.09735	6.9
473.08807	25.1
473.15158	2.8
486.33389	2.9
504.34222	4.1
505.11194	3.2
505.34698	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	505.1356
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
51.76709	0.6
52.95518	0.6
59.01387	6.5
60.08438	0.6
61.33026	0.6
61.98833	1.0
70.89514	0.6
71.01382	2.0
71.43129	0.7
72.99319	4.7
79.47637	0.5
89.02451	2.5
93.03484	1.4
101.02426	1.4
107.05039	1.8
109.02964	0.8
117.03474	1.5
118.17725	0.6
119.05038	28.5
123.04543	1.6
132.02150	0.7
133.02985	6.9
134.03760	6.3
135.04539	100.0
136.04869	2.1
145.02966	11.3
146.03410	0.6
151.03993	1.1
161.02472	24.6
162.02802	1.6
163.04030	22.4
163.07664	1.2
164.04370	1.3
179.03503	12.3
181.05087	6.1
197.04576	4.8
200.64676	0.6
217.05128	0.8
222.20102	0.6
279.05017	0.8
281.05466	0.7
307.02612	0.8
325.03500	0.6
343.10925	22.4
344.11090	1.1
359.09482	0.7
404.03568	0.6
505.13831	13.1
506.14001	1.1
524.61066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06527	0.7
59.01377	2.3
65.49251	0.7
69.63388	2.8
71.01387	2.0
73.02950	1.3
77.46093	0.7
93.96834	0.7
96.62868	0.7
99.92624	2.1
108.02184	30.9
109.03004	1.2
113.02463	0.8
116.92864	15.6
117.03506	0.9
117.92879	1.0
119.05046	3.3
123.04543	15.7
132.02199	11.6
133.02974	4.1
134.03761	11.8
135.04547	5.7
136.04973	1.0
146.57399	0.7
149.06079	2.4
150.03307	0.8
152.01170	69.6
153.01488	2.4
160.01678	41.7
161.02452	10.5
161.04533	0.8
162.02795	1.3
163.04100	1.7
165.05582	2.2
166.02768	2.5
167.03519	100.0
168.03836	2.1
175.04022	41.2
176.04477	1.9
177.01994	0.8
177.05598	1.2
178.02716	0.8
179.03600	4.1
181.05048	2.3
191.07257	0.9
193.05086	9.6
197.04688	0.9
202.70990	0.8
217.05186	1.0
226.96544	0.8
271.02621	1.8
300.02780	1.7
323.07724	12.2
327.07089	1.0
337.09323	51.5
338.09650	3.0
341.08746	0.9
505.14108	5.2
505.26654	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	505.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.1
61.98825	2.1
70.77860	0.8
72.00909	1.6
74.02482	2.2
89.02470	1.4
96.96011	1.3
108.97224	3.3
116.05088	7.8
130.06644	48.6
131.07088	1.0
141.98233	2.5
142.06639	2.9
144.04582	1.0
154.97757	3.8
159.09325	1.7
179.05653	1.2
184.97577	1.0
187.98792	0.9
189.09161	1.5
203.08205	5.4
210.40450	0.9
213.03487	16.5
214.03847	1.2
222.03464	2.1
241.03084	2.0
246.04514	2.6
255.04552	2.3
259.04010	16.5
260.04300	0.9
268.04010	9.3
291.02142	1.0
301.05081	49.3
302.05408	1.9
314.04633	11.5
380.75467	0.9
445.11969	100.0
446.12137	8.2
480.93918	1.0
505.13950	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	505.1574
Annotation	CHEBI:69792
Peak:m/z	Relative Intensity
53.70381	0.7
59.01385	8.2
69.29081	2.2
71.01381	4.2
85.02953	1.7
89.02463	4.1
101.02467	4.5
113.02490	1.4
117.03521	1.0
119.03528	1.4
123.04510	0.7
132.02180	1.9
133.02971	32.3
134.03502	0.7
135.04533	18.0
137.02502	0.8
149.02434	0.6
161.02460	100.0
162.02805	2.8
177.05595	1.3
179.03496	12.9
181.07167	1.7
197.04538	0.7
211.07600	0.7
221.04579	1.4
251.05743	0.7
281.06564	1.3
352.55310	0.6
359.07849	0.8
505.15692	71.9
506.15939	5.3
507.93774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1872
Annotation	Methylrocaglate
Peak:m/z	Relative Intensity
51.39196	1.4
60.86928	1.0
61.36714	1.0
98.22625	3.0
105.03493	2.7
109.02969	1.5
119.01429	1.1
124.01640	1.6
133.02977	5.1
135.04530	1.8
147.00902	1.2
148.01709	3.9
149.02458	4.0
167.03455	1.7
174.49933	1.2
177.01950	20.6
179.03560	5.4
196.34198	1.1
205.01387	1.6
207.02988	8.8
208.03839	2.8
224.41382	1.2
227.10954	1.2
237.04028	7.7
251.10867	2.0
255.13940	1.5
267.13965	3.2
269.15411	1.5
279.13855	2.2
291.13922	1.5
297.14987	2.0
298.61578	1.3
307.13431	2.3
315.10214	1.5
315.13828	1.6
325.15945	1.3
331.13458	2.6
343.13535	2.4
347.12958	2.4
353.15506	2.0
355.13354	1.9
357.11447	1.9
359.12732	1.2
369.11093	1.7
371.09177	3.4
371.16589	1.7
372.13736	1.5
375.12180	1.5
383.12762	2.3
384.13806	3.2
385.10846	2.1
385.15369	1.3
387.12405	4.9
396.13361	1.4
397.14758	2.4
399.12302	2.1
399.16541	2.7
400.13263	1.5
414.10800	2.1
415.11813	6.9
415.15796	5.1
416.12482	4.7
417.17126	1.7
418.13614	1.5
428.12863	1.9
429.17303	2.2
431.11276	2.3
442.14270	2.3
443.15063	46.6
444.15479	4.2
445.16489	5.1
446.13657	10.7
447.14160	3.0
455.15097	4.9
457.16412	3.6
473.16013	13.9
475.17642	63.3
476.18054	4.7
487.17908	5.1
505.18741	100.0
506.18945	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1872
Annotation	Methylrocaglate
Peak:m/z	Relative Intensity
53.70076	1.2
56.62066	1.3
60.74013	1.5
61.98845	10.2
71.41412	1.3
72.99315	3.8
73.92764	1.4
76.77323	1.2
78.95905	1.8
89.03960	1.7
95.39153	1.4
105.03457	2.5
109.02943	4.3
121.02954	2.8
124.01669	2.1
133.02979	6.3
135.04594	6.9
148.01646	2.6
149.02467	3.4
151.13362	1.8
155.20328	1.3
161.02458	3.0
161.57623	1.4
167.03571	1.8
175.00438	1.6
177.01930	19.8
179.03531	5.7
187.72391	1.6
197.04568	4.6
207.02983	6.2
208.03731	3.6
209.04581	2.6
232.28812	1.4
237.04100	3.7
251.10625	1.3
257.00861	1.5
267.13998	1.4
291.13953	3.4
295.06241	1.5
303.13831	1.6
307.13409	2.0
315.14267	1.6
321.03998	3.1
328.14575	1.7
328.65732	1.5
339.05109	2.6
353.11649	2.5
365.15436	2.0
371.09109	1.6
372.13705	1.7
383.16840	3.1
384.13593	2.3
385.14404	1.7
387.12396	6.0
396.13739	3.3
399.12350	4.0
399.16718	2.4
413.13937	2.2
415.11066	2.3
415.15543	5.7
427.15546	3.3
429.17462	6.9
439.11768	3.0
442.14243	3.6
443.15002	30.3
444.15247	2.6
445.16574	5.6
446.13696	5.2
447.13828	4.9
455.14960	26.3
456.15533	1.7
459.18274	1.8
473.16019	28.2
474.16373	3.0
475.17654	39.6
487.17621	36.3
488.17871	2.1
504.34134	14.2
505.18704	100.0
505.34189	7.5
506.18887	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
59.01385	10.4
70.19821	0.6
71.01398	1.2
72.99316	16.5
72.99709	1.2
73.99709	0.7
78.51572	0.6
81.03481	5.4
83.01402	0.9
85.02972	0.7
93.03484	1.1
95.48686	0.6
96.96006	1.5
99.04533	31.7
100.04885	1.5
101.02454	20.5
108.02226	1.0
109.02937	3.5
117.03504	1.5
119.05065	1.1
121.02979	8.8
122.03776	5.7
123.04536	7.9
125.02446	3.7
133.02991	1.8
134.03758	0.8
135.04544	13.8
135.05505	1.0
136.05302	1.0
137.02460	1.0
145.02979	4.7
147.04581	2.9
149.02499	0.7
149.06184	0.9
151.04077	1.2
160.05327	0.8
161.02443	4.0
161.06053	3.1
162.06892	1.1
163.04111	0.8
165.05608	6.4
175.04051	0.9
176.08521	0.9
177.05574	0.7
177.41530	0.7
179.03517	13.0
179.07166	1.8
190.06198	0.7
191.07187	1.3
193.05016	0.7
197.04572	22.1
232.55243	0.8
250.35959	0.9
267.06543	0.7
298.12173	2.6
300.02991	0.9
301.20007	0.9
307.08157	1.2
313.14453	4.0
328.13138	4.1
338.94006	0.8
342.61713	0.7
343.08377	1.5
343.15540	11.3
343.19333	1.1
344.15930	1.3
346.14426	2.4
359.09906	24.1
360.10172	1.7
361.16583	35.8
362.17139	2.6
403.17630	14.3
404.18353	1.1
443.20819	16.4
444.21194	1.5
463.25635	1.4
505.13651	8.3
505.20581	1.4
505.26892	2.8
505.34009	1.6
506.14111	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.224
Annotation	Macaranone A
Peak:m/z	Relative Intensity
65.53519	0.6
69.13860	2.9
69.14272	1.4
74.73884	0.6
177.01884	1.2
243.31383	0.8
277.21744	4.0
307.13416	3.3
307.16861	1.3
322.15686	4.1
323.16623	1.3
343.13025	1.1
347.12753	0.8
349.14401	1.3
355.09763	1.2
357.15005	1.0
369.11047	1.0
371.12744	1.9
373.18048	2.2
383.12866	1.3
384.13513	4.2
385.14014	1.0
385.18430	1.3
387.12393	1.1
388.13232	0.8
389.10062	1.4
390.11011	1.7
399.16199	5.4
413.17670	2.9
414.18433	1.7
415.15717	2.0
416.12164	0.9
417.17349	1.5
429.12756	1.3
430.18094	1.6
431.18692	4.4
441.17090	0.9
443.14932	12.0
447.14511	2.9
457.16434	1.8
458.17392	55.6
459.17990	11.4
460.18109	0.9
462.20636	1.4
472.18811	2.0
473.19742	7.4
474.83420	0.7
489.19531	1.3
490.20004	88.9
491.14752	0.8
491.20435	7.2
505.22357	100.0
506.22580	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	505.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30141	0.4
55.01895	0.8
57.03460	1.5
59.01387	100.0
71.01391	26.5
71.01794	1.1
71.30827	0.4
72.99333	1.2
73.02963	6.1
79.31602	0.5
80.48499	0.5
82.45041	0.4
82.45629	0.5
83.01404	3.9
85.02969	8.5
87.00908	1.5
89.02455	18.2
93.03492	0.9
95.01408	1.4
99.00920	2.0
101.02460	17.3
108.02122	0.6
109.02987	1.7
113.02469	10.5
119.03523	5.4
119.05025	6.5
123.04632	0.7
125.02433	0.7
131.03519	8.0
133.02974	4.7
134.03799	0.8
135.04539	5.1
136.04935	0.6
137.02457	1.0
143.03546	1.5
147.04549	0.6
149.02515	0.8
149.04562	5.8
151.04073	0.9
159.04509	1.2
161.02477	15.0
161.04533	2.6
162.02945	0.7
163.04045	7.2
164.24200	0.5
173.37631	0.5
175.04021	0.7
179.03581	1.7
179.05603	2.6
181.05107	5.9
191.05621	11.4
203.05745	0.9
223.06058	0.6
233.06688	4.3
237.05629	1.2
239.07129	0.6
265.05252	0.8
279.02982	0.6
281.04831	0.6
281.08224	0.7
331.17654	9.0
339.05258	0.6
343.10367	10.8
343.14441	0.7
373.18793	4.4
463.21912	11.1
464.22412	0.8
505.13846	9.9
505.23196	6.6
506.23935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83402	1.2
56.20943	1.1
58.43970	1.2
59.01384	100.0
61.98844	2.1
71.01394	25.1
72.99317	4.5
73.02950	7.6
83.01396	3.5
85.02953	8.6
87.00911	2.4
89.02448	7.4
93.03472	1.6
95.01388	2.0
96.96016	1.4
97.02954	1.5
98.22722	2.8
99.00909	2.2
99.04537	1.7
101.02439	17.7
109.02962	3.2
113.02467	9.6
119.03511	4.5
119.05032	6.4
121.02917	1.5
123.04487	1.8
125.02439	1.4
133.02966	7.4
134.03760	4.7
135.04543	43.4
136.04869	2.8
136.86993	1.4
137.02457	1.4
145.02979	3.9
151.03954	1.7
151.07683	1.6
159.03064	1.8
161.02477	25.6
161.04530	8.0
161.09749	2.1
162.02788	1.4
163.04010	5.3
167.03545	1.4
169.08681	1.5
177.01932	2.2
178.02742	2.5
179.03513	8.2
179.10829	1.7
180.05583	1.2
181.05089	7.3
193.05005	7.8
197.04567	3.6
205.12170	1.5
209.06126	2.3
217.22954	1.2
227.53445	1.3
237.05608	3.6
241.14487	4.9
257.04626	4.1
278.43878	1.5
316.84354	1.4
325.03494	2.8
343.08124	2.4
343.10464	4.4
385.18613	13.6
403.19693	39.9
404.20068	1.5
445.20782	19.3
446.20990	1.7
505.13617	7.0
505.20074	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.9
55.45551	0.7
57.03456	13.8
57.03734	1.4
58.67432	0.8
59.01387	77.9
63.26690	0.8
70.58897	1.8
71.01392	45.7
72.99326	2.2
73.02952	18.0
73.03364	1.0
75.00879	1.0
81.03461	1.4
83.01409	5.8
85.02463	1.7
85.02963	27.0
87.00877	1.5
89.02457	6.8
93.03465	1.0
95.01392	4.2
95.38934	0.9
97.02965	1.0
98.22639	1.1
99.00896	6.3
99.04532	3.2
101.02455	43.5
109.02979	4.6
113.02459	23.1
121.02985	2.7
125.02483	1.9
131.03520	42.3
132.03838	1.0
133.02931	0.9
135.04536	3.8
137.02451	1.1
143.03513	2.3
149.04561	3.2
151.11270	3.5
159.03012	5.0
161.02533	1.8
161.04572	28.1
163.06210	1.0
165.05623	1.1
179.42700	0.9
185.02414	2.0
191.05653	3.0
197.04521	1.8
208.19125	0.8
255.13913	1.8
279.02905	1.1
281.11743	1.0
293.04370	1.0
293.08667	1.1
295.06131	1.6
297.06552	1.0
298.12201	0.9
299.12720	1.6
301.14182	2.6
302.03757	1.0
313.16589	100.0
314.17108	4.4
321.04095	5.8
322.04318	2.0
323.04822	2.0
340.05139	0.9
343.15552	1.2
353.40353	0.9
361.16635	3.8
403.17767	1.6
443.20517	2.6
445.20825	39.8
446.21030	2.3
505.20697	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03521	1.7
55.01875	2.3
57.03437	3.6
59.01385	100.0
69.67975	4.3
71.01390	68.4
71.54086	1.7
72.99313	8.3
73.02962	22.1
83.01389	6.4
85.02962	29.1
85.63817	1.4
87.00881	3.2
89.02454	13.0
93.03426	2.6
95.01395	5.6
96.96038	2.8
97.02966	1.9
99.00891	9.0
101.02457	47.4
108.02196	2.0
109.02973	10.2
113.02469	28.3
119.05075	1.7
121.02951	3.2
123.04508	4.7
125.02478	3.9
129.01941	1.8
131.03523	43.0
131.79877	1.6
133.03001	2.4
134.03738	2.0
135.04509	16.5
137.02449	5.2
143.03485	2.5
149.02414	3.3
149.04527	3.8
151.03966	2.8
151.11261	2.7
159.02989	7.4
159.04376	2.1
161.02451	6.4
161.04568	34.3
163.04076	1.8
179.03523	9.6
185.02411	3.8
186.03098	1.7
193.01419	1.6
197.04578	6.9
203.48314	1.9
221.13432	1.5
240.27713	1.6
251.03464	3.0
253.12341	9.0
265.05029	2.2
265.12576	3.1
267.06723	2.0
271.13373	6.8
277.05200	2.4
279.03223	2.4
283.13467	7.5
293.04486	5.5
295.06015	2.1
300.13684	5.5
301.14432	31.6
307.05963	4.8
313.16595	84.6
314.16925	5.6
321.04007	8.6
322.04568	2.4
323.04953	2.2
339.05161	4.6
341.05688	1.8
445.20782	46.3
446.21536	2.3
505.21021	15.0
505.26959	2.9
505.34341	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	505.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95629	1.3
57.03439	2.4
57.98787	1.2
58.10307	1.1
58.96021	1.3
59.01390	38.3
60.26788	1.1
62.96506	1.4
64.60583	1.3
66.66517	1.4
67.01900	1.6
71.01389	16.3
71.01751	2.0
72.99324	3.7
73.02953	12.9
83.01408	3.1
85.02961	8.6
89.02464	2.4
94.33306	1.4
96.96051	2.0
97.02951	2.0
98.21877	6.0
101.02452	6.6
109.02949	8.1
113.02445	8.4
119.05059	1.4
123.04562	2.5
125.02448	1.4
127.03987	1.5
133.02925	1.5
135.04543	11.7
141.01956	1.9
143.03471	2.0
145.02985	1.7
149.02399	2.1
155.03517	3.6
161.02451	3.9
161.04617	1.6
166.53882	1.3
179.03558	4.5
185.02464	5.6
186.02962	1.5
197.04579	4.0
203.05562	1.9
229.15990	4.8
245.19156	11.8
248.08324	1.5
253.12372	3.7
255.17386	1.3
265.12347	1.4
271.13501	3.7
273.18643	4.4
277.05136	2.8
279.03110	1.8
280.03595	1.8
283.13513	2.9
285.18735	4.2
287.20145	17.6
295.06046	3.5
296.06339	1.3
297.18616	2.1
299.16531	21.7
299.19943	2.5
300.13599	4.0
300.16904	2.5
301.14508	12.1
301.18073	100.0
302.18518	4.9
313.18112	4.4
315.19678	15.7
316.19827	1.6
321.04065	6.6
322.04434	2.3
325.18280	1.6
339.05161	8.1
340.05530	2.1
343.19141	18.9
355.19098	1.7
371.09283	1.4
445.18753	2.4
505.24490	12.1
506.24527	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32841	0.5
57.19907	0.6
59.01378	1.5
60.58033	0.5
61.73299	0.6
62.75802	0.5
69.12115	0.5
69.22353	1.8
69.22761	1.0
71.01373	0.6
78.95913	28.9
85.82951	0.5
87.54240	0.6
96.96982	2.5
110.89236	0.6
111.28264	0.6
152.99605	41.1
171.00662	2.3
194.78067	0.5
227.03308	6.9
245.04262	2.1
259.20581	0.9
267.49725	0.7
277.21747	100.0
278.22104	4.7
352.67157	0.6
413.20874	1.0
505.25790	58.2
506.26141	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	505.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11354	0.4
59.01370	1.3
61.60925	0.5
69.08008	3.1
78.82530	0.4
78.95911	11.3
96.97006	0.6
113.81873	0.4
148.05814	0.4
152.99599	16.9
153.00803	1.1
153.99977	0.5
171.00685	1.3
191.93840	0.5
196.89938	0.6
202.36806	0.6
227.03250	2.2
245.04338	1.7
259.20743	0.6
277.21747	100.0
278.22101	5.2
279.23273	2.9
280.23660	6.0
284.64044	0.5
505.25735	23.7
505.31644	1.0
506.25879	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	505.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
65.27882	0.4
69.13920	2.1
70.27097	0.4
71.01987	0.5
78.95911	9.7
78.96343	0.9
83.12910	0.4
96.96976	1.0
98.22625	1.2
152.98352	0.9
152.99594	17.0
171.00613	2.4
207.78778	0.4
218.55931	0.5
227.03264	2.2
245.04373	1.6
277.21744	100.0
278.22055	6.3
279.23334	3.5
280.23679	7.3
393.00162	0.6
484.84039	0.5
505.25726	27.0
506.25854	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38428	0.9
56.79039	0.9
59.01387	34.9
69.04535	6.2
71.01391	11.5
71.46289	1.0
72.65596	0.8
72.99305	5.5
82.68457	0.9
83.01382	1.0
85.02963	3.1
89.02448	6.4
95.34347	0.8
97.06592	0.9
97.55190	1.0
101.02452	5.7
109.02953	4.0
113.02458	2.1
117.03495	0.9
119.03500	2.2
123.04527	2.6
123.11230	0.8
133.02980	3.2
134.03641	0.9
135.04538	8.7
149.02412	2.6
150.03284	1.5
159.04651	0.8
161.02446	9.8
162.02795	1.9
179.03494	4.0
181.15979	4.3
185.02454	2.7
197.04532	3.6
220.04385	2.7
221.19066	2.8
235.20673	3.5
237.18620	4.3
244.60178	0.9
245.19107	3.4
246.11987	1.1
263.20163	4.9
265.18066	1.1
267.06647	1.6
277.05115	1.6
279.02914	1.3
280.03918	0.9
281.21216	12.2
283.19183	22.9
292.03867	1.0
293.04651	1.6
295.06000	2.5
299.16541	2.9
307.19183	3.6
308.04144	1.2
321.04059	3.0
322.04291	1.3
324.05255	0.9
325.05441	1.1
325.20279	6.5
339.05267	2.3
340.05362	1.1
343.21182	11.1
370.20410	1.1
385.22427	1.1
404.18573	1.2
443.26245	2.0
445.24503	9.4
463.27313	1.0
487.25543	4.1
505.26614	100.0
506.26709	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	505.2815
Annotation	Mucronine A
Peak:m/z	Relative Intensity
51.03341	0.8
53.17210	0.7
56.75363	0.7
59.01376	2.0
60.44726	0.6
61.14544	0.7
71.01361	0.6
75.02623	0.6
80.51645	0.7
87.97800	0.7
89.02431	0.8
91.04008	1.6
117.02649	1.2
117.03482	26.2
118.04239	2.9
119.05045	35.0
120.05367	0.8
121.02964	2.6
133.03004	0.8
145.02972	100.0
146.03284	3.1
162.03192	1.3
163.04025	22.7
196.01076	0.8
267.19702	1.3
279.24216	0.8
285.20755	9.1
298.36676	0.7
299.11462	0.7
413.23459	15.1
414.23608	1.5
431.24414	19.2
432.24588	1.0
505.28149	67.3
506.28589	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78329	1.2
55.01866	2.0
57.03432	2.0
59.01383	14.5
60.83685	1.2
69.03447	1.3
70.35155	1.4
70.97905	2.0
71.01385	22.6
72.99308	2.5
73.02957	12.9
83.01387	3.9
85.02949	11.6
89.02447	5.6
95.01406	1.6
99.00900	5.1
101.02453	25.9
109.02942	3.4
113.02458	10.7
115.57220	1.5
123.00921	1.5
125.02451	1.5
133.02974	2.4
135.04562	7.8
143.03485	2.3
150.03159	1.4
151.04048	2.6
153.04591	1.2
159.02994	3.7
161.04578	15.3
166.02702	1.8
177.01959	1.8
179.03555	1.8
209.04414	2.1
211.07555	1.8
239.07188	3.2
257.08191	1.4
331.17618	12.6
339.04739	1.5
347.12927	2.5
463.21878	100.0
464.22144	6.6
501.07712	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	506.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.7
57.03442	1.7
59.01384	16.4
60.66984	1.5
62.76117	1.6
63.61517	1.7
69.30878	2.5
69.31266	4.7
71.01388	29.1
71.23650	1.4
72.99302	1.8
73.02955	12.1
76.11304	1.9
83.01403	3.8
85.02961	13.5
89.02428	3.4
95.01441	2.2
99.00871	3.3
101.02449	29.1
105.03442	7.5
109.02931	3.2
113.02441	14.0
116.92876	1.7
123.04543	4.8
125.02425	1.9
131.03508	18.2
133.02966	30.3
135.04550	10.9
143.03513	2.8
146.02682	1.6
146.64543	1.5
149.02469	1.9
150.03238	4.8
151.04025	8.1
154.04921	1.8
154.61266	1.5
159.03009	3.1
161.02466	1.8
161.04579	20.8
177.01923	11.8
179.03551	2.9
198.06874	5.9
211.07655	16.8
212.08478	1.7
213.05547	1.3
213.09256	8.3
227.38577	1.5
237.05650	1.7
237.09187	3.8
238.06142	1.5
239.07140	16.9
255.06660	2.5
257.08237	20.6
267.06659	3.8
331.17633	100.0
332.17957	5.3
347.12869	5.3
389.10492	3.6
463.15451	3.1
463.21921	51.9
464.22174	3.8
507.20969	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	507.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99211	0.6
59.01384	66.3
60.01704	0.7
99.98480	0.5
101.02444	1.4
126.98890	0.5
128.02562	0.4
133.69063	0.5
136.36554	0.5
138.63176	0.5
141.00456	2.2
141.42128	0.6
143.00163	2.2
155.00150	0.6
157.03564	7.2
159.01459	2.5
182.98174	0.6
183.01443	3.2
185.01202	2.6
197.01254	1.6
201.02560	100.0
202.02730	5.8
203.02390	0.8
212.92911	0.5
224.99072	1.1
243.03503	1.2
244.03857	1.0
245.03329	3.8
245.29938	0.5
267.01569	0.6
283.03018	2.9
325.02686	0.7
327.03790	1.3
343.03696	31.3
344.03937	3.9
365.07767	2.4
425.09906	1.3
447.07623	0.7
518.42944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15758	2.3
52.96539	2.2
59.01382	2.4
71.01378	5.5
72.99308	3.5
74.49969	2.4
77.03996	4.4
77.20869	2.3
89.02428	2.5
89.03988	2.5
95.05047	5.2
101.02447	2.5
105.03463	28.5
108.02168	6.6
109.02940	14.4
121.03023	3.0
122.03770	5.0
123.04538	17.4
125.02532	2.8
132.97957	2.4
133.02972	100.0
134.03781	3.1
135.04541	30.9
140.55070	2.7
149.02528	3.6
150.03265	17.8
151.04037	26.6
172.05354	3.8
177.01945	38.8
179.03551	5.1
185.06117	3.7
197.06071	3.1
198.06898	16.1
210.06859	2.8
211.07692	63.3
212.08383	5.5
213.09229	29.3
214.37062	2.4
222.07013	4.2
223.07706	7.7
224.04819	2.8
227.07243	2.8
237.05653	3.5
237.09236	6.4
238.06281	3.0
238.09880	2.3
239.07153	62.3
240.07597	2.5
255.06683	4.6
257.08206	71.8
258.08459	3.3
265.05029	4.1
267.06714	13.0
283.06204	8.2
285.07669	5.6
293.04691	2.9
309.07632	2.8
311.05472	4.6
327.04926	4.3
331.17471	4.0
332.18018	5.1
347.12903	29.0
389.10452	9.5
424.15753	2.8
507.09732	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1149
Annotation	Moghanin A
Peak:m/z	Relative Intensity
58.71681	0.3
59.01403	0.3
69.03458	2.7
69.33810	0.6
69.34219	0.8
71.01398	0.4
72.99290	0.3
79.01898	1.0
81.03459	1.1
83.01414	1.9
85.02980	0.5
95.01419	2.0
97.02969	2.4
101.80200	0.3
107.01410	2.1
108.02197	0.8
109.02973	1.1
113.02463	0.3
117.03480	0.6
121.02962	0.4
122.00110	0.5
123.00900	9.3
123.04549	0.5
124.01677	23.5
124.73714	0.3
125.02462	44.8
126.02801	0.5
132.02148	1.4
133.03020	0.5
134.03764	7.9
135.04510	1.1
136.01697	0.7
137.02470	2.9
139.03996	0.6
149.02472	0.5
149.06113	1.1
149.99600	40.7
151.00394	3.1
151.04073	0.5
160.01675	8.6
160.66991	0.3
161.02512	1.5
165.01907	0.5
166.99850	0.5
167.03525	1.1
168.00659	73.1
169.01385	5.9
175.04022	11.7
175.05235	0.2
176.04425	0.5
178.02702	0.3
179.03476	1.1
181.01454	0.3
187.00404	0.4
193.01445	0.7
193.05110	4.3
197.04565	0.3
269.06653	0.4
283.06064	0.4
302.05701	0.3
309.03964	0.4
313.05661	3.8
314.06091	0.3
327.05170	0.4
331.06744	18.2
332.07050	0.9
337.09415	1.6
346.76111	0.3
350.78668	0.3
428.60672	0.4
438.12582	0.3
461.83121	0.4
475.09210	0.5
489.10291	1.2
507.11472	100.0
508.11774	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	507.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
63.54597	0.2
69.68239	0.6
72.99315	60.6
73.99683	0.3
76.37914	0.2
81.03465	0.2
91.05537	0.7
92.02728	0.3
93.03465	0.7
95.05051	0.6
98.22700	0.2
104.02702	0.4
107.05058	2.3
108.02188	9.0
109.02326	0.3
109.02983	3.7
117.03492	2.1
119.05042	0.3
120.44029	0.2
121.02978	1.0
122.03741	1.1
123.04538	31.9
124.04881	0.6
132.02191	1.3
133.02936	0.7
134.03755	5.4
135.04541	69.3
136.04863	2.1
137.02522	0.3
138.30797	0.2
139.04039	0.2
144.02179	3.8
145.02971	20.5
146.03772	3.2
147.00893	0.8
147.04556	1.5
148.01663	0.9
150.03195	0.5
151.04042	1.9
153.05606	1.5
157.02943	0.7
158.03758	2.3
159.04532	7.9
160.01668	2.3
160.04869	0.5
161.02478	2.1
163.04036	1.3
167.03665	0.2
172.01678	0.8
173.02449	1.0
175.04024	0.8
179.03514	37.4
180.03886	1.1
185.02455	12.0
186.03227	4.0
193.06583	0.3
195.04524	0.3
196.05336	0.2
197.04567	100.0
198.04927	3.4
198.36060	0.2
203.03557	1.0
204.05836	0.3
205.06561	0.3
209.06085	2.3
210.06842	0.8
211.04047	0.3
211.05997	0.2
213.05560	0.2
215.05603	0.3
219.04626	0.3
220.05270	0.6
221.06061	2.1
222.06779	0.3
223.02428	0.6
223.04228	0.4
224.04932	1.3
225.05458	0.3
232.05341	0.5
233.06126	1.9
235.03976	0.3
236.04892	0.3
237.05592	2.7
238.06381	2.7
239.05640	0.8
240.04237	0.2
247.04015	0.6
248.04802	2.6
249.05577	4.5
250.06242	0.5
251.03500	2.1
252.04272	1.1
253.05107	0.5
260.04636	0.5
264.04398	0.9
265.02133	0.3
265.05075	8.6
266.05859	9.7
267.06592	5.1
268.07285	1.9
275.03516	0.4
276.04291	3.9
277.05069	15.6
278.05734	1.9
279.03030	0.3
279.06509	0.4
281.05032	0.3
281.08173	1.1
283.06543	0.3
283.09763	5.6
284.10226	0.4
291.03171	0.3
291.06647	0.3
292.03781	2.4
293.04572	6.8
294.05362	22.5
295.05750	1.7
299.07608	0.2
307.06155	1.5
309.07706	67.4
310.08051	4.3
327.05359	0.7
327.08713	16.2
328.09271	1.2
345.06161	0.5
507.12979	3.9
507.28476	0.4
508.13229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.0
64.00823	0.8
69.82434	2.5
71.01390	8.4
73.02946	1.5
78.01116	1.4
82.02604	0.9
85.02957	1.9
89.00370	1.5
89.02435	5.4
91.01900	1.2
98.21893	1.2
99.00855	1.1
101.02460	3.8
105.03461	2.9
106.00597	2.7
109.02957	1.3
111.00932	1.2
113.02446	2.1
119.03530	1.0
121.02971	36.0
123.00909	5.0
123.04556	1.3
127.00408	1.8
133.02966	8.8
135.04530	3.1
135.87321	0.8
136.98831	1.1
137.02449	6.5
138.03223	7.3
139.00369	0.9
139.04018	3.6
147.06653	1.3
150.03239	1.5
151.04045	1.9
153.05594	28.1
165.01860	0.9
165.07639	4.8
166.99843	2.1
177.01942	3.7
179.03561	1.2
181.01457	8.8
182.02225	9.5
183.03004	4.1
196.03705	4.5
197.04572	100.0
198.04961	2.2
198.06744	1.8
203.45975	0.8
211.05925	4.7
211.07726	3.5
213.09184	2.1
223.07449	1.0
224.03239	5.4
225.03996	1.1
230.00620	1.2
230.49280	0.9
239.05511	26.0
255.06937	1.1
257.08234	5.8
269.06720	3.2
281.06607	1.5
299.07715	8.7
309.11877	1.2
312.50311	1.0
341.08865	3.2
347.12692	2.3
359.09915	1.9
387.09531	1.0
492.15103	1.7
507.17233	78.4
508.17270	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	507.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
59.01388	58.5
70.69276	1.5
71.01386	11.8
72.99314	3.5
73.02959	1.9
83.01382	2.0
85.02962	2.8
89.02455	8.9
92.02689	2.6
93.03472	29.3
95.01375	2.1
100.50283	0.7
101.02460	8.9
108.02201	1.4
113.02472	3.7
116.93004	0.8
119.03523	3.8
119.05039	1.5
121.02990	1.0
123.04561	2.2
133.03021	1.0
134.03767	1.3
135.04564	9.0
136.01691	7.0
137.02463	64.0
138.02742	1.1
145.02960	1.8
151.04050	4.1
161.02454	2.9
163.03958	1.4
163.11296	6.2
179.03513	26.3
181.08617	1.0
197.04599	3.9
199.09698	1.0
207.10283	11.5
209.04535	2.6
210.34480	0.7
236.81485	0.7
237.05598	1.1
238.06160	0.8
239.05571	12.7
239.59058	0.9
299.07666	1.1
309.04291	1.5
309.07794	3.8
327.05124	2.7
361.14984	4.4
369.15527	3.2
387.16644	76.0
388.17020	4.2
447.16663	4.6
447.25745	1.1
489.17654	1.9
507.18774	100.0
508.19153	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	507.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
57.03455	100.0
58.03773	1.4
59.01387	85.8
71.01394	10.9
72.64367	1.0
72.99307	3.3
73.02957	5.7
77.28677	1.0
81.03470	4.0
83.01408	3.4
85.02950	7.0
90.41184	1.1
99.04531	89.1
101.02454	21.2
109.02937	1.6
112.54985	1.1
113.02455	4.9
125.02464	29.1
133.02979	5.0
135.04558	11.2
147.00929	1.3
160.01505	1.1
161.02469	17.7
161.04552	5.3
162.02704	1.3
179.03525	6.2
197.04623	3.4
267.06674	1.3
268.93958	1.4
269.08203	1.6
277.16476	2.2
319.17700	1.6
322.26730	1.1
327.48282	1.1
345.15356	1.6
345.29996	1.6
408.26343	1.1
507.35471	23.0
508.35840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04024	1.3
52.65750	1.0
57.03453	100.0
58.03759	1.1
59.01385	94.1
61.98841	1.3
69.68230	1.9
69.68610	3.8
71.01374	7.1
72.99302	6.7
73.02962	2.5
76.88048	1.0
81.03486	3.0
83.01409	1.7
85.02968	4.2
89.02447	1.8
93.03468	1.3
95.01382	1.3
96.96033	3.9
99.04529	84.6
101.02464	17.2
106.14979	1.2
107.05020	1.1
109.02984	3.4
113.02481	3.2
123.04510	2.6
125.02463	32.4
133.02963	9.1
134.03737	2.6
135.04535	23.3
137.02448	2.6
145.02924	1.5
147.00911	1.9
149.02504	1.5
151.04039	1.8
161.02463	26.0
161.04538	2.5
162.02824	2.6
175.04021	1.4
179.03535	12.6
180.03871	1.6
197.04575	4.7
209.11887	2.2
238.51114	1.1
267.06519	2.1
277.16452	1.2
284.09879	1.3
309.07693	1.3
311.05490	2.5
319.17590	1.5
327.05045	1.2
340.68161	1.1
345.06076	3.1
345.17102	1.7
361.12067	1.2
364.62274	1.4
507.35800	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	507.2238
Annotation	Milolide K
Peak:m/z	Relative Intensity
53.73096	0.4
55.01889	1.6
57.03447	1.1
59.01388	8.7
67.48910	0.5
68.99799	0.5
69.16749	2.9
71.01392	9.4
72.99317	2.9
73.02956	4.1
76.16923	0.5
83.01410	2.0
85.02958	5.9
87.00887	0.5
89.02457	1.1
92.02682	2.2
93.03470	35.1
95.01395	1.6
96.99358	0.7
99.00891	1.2
100.26264	0.5
101.02451	8.2
108.02176	0.7
109.09364	0.5
112.98825	0.9
113.02480	3.7
121.02965	2.0
123.04534	1.5
124.84409	0.5
125.02438	0.6
133.02985	2.0
134.03767	1.1
135.04550	5.9
136.01683	2.5
137.02461	87.4
137.09706	1.0
138.02782	1.3
145.03021	0.4
147.00899	1.3
147.04553	0.5
149.02452	0.7
150.13417	0.5
151.04024	1.2
161.02470	6.2
161.04581	0.6
163.03976	1.0
177.05588	0.6
179.03554	3.5
189.12856	1.2
197.04594	2.9
198.05014	0.5
214.14000	0.5
221.04558	1.4
281.06570	2.3
283.06192	0.6
294.05298	0.5
309.07675	1.3
327.01492	0.6
345.06342	1.0
430.71591	0.5
507.22397	100.0
508.22604	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	507.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26721	3.4
55.01884	5.1
55.93624	3.8
59.01385	100.0
62.96324	3.8
68.56794	4.0
69.22492	16.8
71.01389	46.9
71.11638	3.3
72.99320	15.3
73.02964	23.1
74.47539	3.4
82.44473	3.4
83.01394	9.8
85.02972	18.3
87.00876	3.8
89.02457	14.1
93.03479	3.6
99.00877	4.9
101.02459	33.9
108.02171	9.0
109.02957	11.1
113.02496	19.9
123.04540	6.5
133.02983	16.4
135.04539	40.8
137.02478	4.9
147.00894	7.0
149.02464	4.8
150.03256	4.1
152.01073	4.4
161.02449	33.0
161.04578	16.9
163.04089	3.8
179.03549	24.0
180.09886	3.4
197.04590	16.0
211.13408	66.5
253.09276	5.5
259.19131	5.8
267.27704	3.9
280.66681	3.9
315.18262	47.0
325.78461	4.3
327.04962	4.6
345.05963	8.9
345.17157	6.5
355.52176	4.2
373.33136	3.7
403.23199	24.3
421.24457	20.8
447.22592	30.3
448.22845	4.5
463.25519	93.3
464.25784	9.5
507.22702	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	507.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26721	3.4
55.01884	5.1
55.93624	3.8
59.01385	100.0
62.96324	3.8
68.56794	4.0
69.22492	16.8
71.01389	46.9
71.11638	3.3
72.99320	15.3
73.02964	23.1
74.47539	3.4
82.44473	3.4
83.01394	9.8
85.02972	18.3
87.00876	3.8
89.02457	14.1
93.03479	3.6
99.00877	4.9
101.02459	33.9
108.02171	9.0
109.02957	11.1
113.02496	19.9
123.04540	6.5
133.02983	16.4
135.04539	40.8
137.02478	4.9
147.00894	7.0
149.02464	4.8
150.03256	4.1
152.01073	4.4
161.02449	33.0
161.04578	16.9
163.04089	3.8
179.03549	24.0
180.09886	3.4
197.04590	16.0
211.13408	66.5
253.09276	5.5
259.19131	5.8
267.27704	3.9
280.66681	3.9
315.18262	47.0
325.78461	4.3
327.04962	4.6
345.05963	8.9
345.17157	6.5
355.52176	4.2
373.33136	3.7
403.23199	24.3
421.24457	20.8
447.22592	30.3
448.22845	4.5
463.25519	93.3
464.25784	9.5
507.22702	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	507.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.5
61.98824	1.6
69.05892	8.4
71.73116	1.1
72.99300	3.6
73.02943	2.3
97.06590	2.1
99.04529	100.0
100.04848	1.4
108.02197	3.7
121.02920	1.6
123.00908	3.3
123.04543	2.6
124.01673	2.1
133.02939	5.0
135.04546	8.5
136.01642	3.0
141.05597	2.8
145.02934	2.7
161.02451	19.8
162.02809	1.7
167.03467	1.3
179.03477	7.1
183.16325	1.2
195.03000	43.1
196.03415	1.6
197.04570	1.7
209.11824	2.4
211.13367	1.5
235.08272	1.3
248.98901	1.5
257.15060	1.3
267.06516	3.5
299.72440	1.3
311.05661	2.3
507.35410	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	507.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95439	0.3
59.01366	0.4
68.54118	0.3
69.82330	1.1
78.95912	8.7
89.57915	0.3
96.96971	0.8
98.21790	0.3
131.73074	0.3
152.99606	14.5
171.00705	1.7
178.41496	0.3
227.03275	2.4
245.04362	1.5
279.23322	100.0
280.23648	6.0
356.51468	0.3
399.11838	0.3
414.89218	0.3
507.27332	22.7
508.27686	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03113	0.4
55.01888	1.0
57.03462	1.0
59.01387	95.4
60.01719	0.6
71.01391	8.0
72.99326	3.4
73.02951	4.7
74.00389	0.6
79.13535	0.5
83.01401	1.3
85.02963	6.3
87.00880	0.9
89.02458	1.3
91.14003	0.4
93.05668	0.5
96.57896	0.4
99.00926	0.9
99.04536	0.5
101.02454	9.5
105.82552	0.5
109.02975	0.6
112.98818	1.8
113.02477	3.5
116.18092	0.4
119.03541	0.7
119.05019	0.9
123.04546	1.2
125.02520	0.6
129.28735	0.5
133.03008	1.2
134.03815	1.0
135.04544	4.1
141.02045	0.5
145.02983	1.8
149.02530	1.3
159.36467	0.5
160.01625	0.6
161.02521	2.9
161.04558	1.2
163.04041	0.5
179.03517	1.6
197.04604	4.3
199.09811	0.8
233.04535	0.5
243.19684	1.1
265.05026	0.9
267.06824	0.5
277.04984	0.5
294.05258	0.9
303.21844	0.5
307.04672	0.7
309.07693	2.9
345.06198	0.7
361.15164	1.4
387.24088	1.6
405.25189	2.6
447.26068	2.9
451.83249	0.5
465.26968	3.2
489.27213	5.5
490.27750	0.6
507.28156	100.0
508.28369	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	507.2818
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
51.03113	0.4
55.01888	1.0
57.03462	1.0
59.01387	95.4
60.01719	0.6
71.01391	8.0
72.99326	3.4
73.02951	4.7
74.00389	0.6
79.13535	0.5
83.01401	1.3
85.02963	6.3
87.00880	0.9
89.02458	1.3
91.14003	0.4
93.05668	0.5
96.57896	0.4
99.00926	0.9
99.04536	0.5
101.02454	9.5
105.82552	0.5
109.02975	0.6
112.98818	1.8
113.02477	3.5
116.18092	0.4
119.03541	0.7
119.05019	0.9
123.04546	1.2
125.02520	0.6
129.28735	0.5
133.03008	1.2
134.03815	1.0
135.04544	4.1
141.02045	0.5
145.02983	1.8
149.02530	1.3
159.36467	0.5
160.01625	0.6
161.02521	2.9
161.04558	1.2
163.04041	0.5
179.03517	1.6
197.04604	4.3
199.09811	0.8
233.04535	0.5
243.19684	1.1
265.05026	0.9
267.06824	0.5
277.04984	0.5
294.05258	0.9
303.21844	0.5
307.04672	0.7
309.07693	2.9
345.06198	0.7
361.15164	1.4
387.24088	1.6
405.25189	2.6
447.26068	2.9
451.83249	0.5
465.26968	3.2
489.27213	5.5
490.27750	0.6
507.28156	100.0
508.28369	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	507.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.0
60.05820	0.3
69.79575	0.3
70.88166	0.6
73.60908	0.3
75.57082	0.4
89.02467	0.7
91.04025	0.9
99.04530	20.4
117.03485	24.4
118.04290	3.5
119.05043	32.6
120.05412	0.8
121.02973	3.5
123.04522	0.8
133.02956	1.4
134.86862	0.4
135.04515	0.5
138.44240	0.4
145.02971	100.0
146.03268	2.2
160.85605	0.4
161.02473	3.8
162.03181	0.8
163.04030	20.3
164.04353	0.8
269.21255	1.7
287.22336	7.8
298.52866	0.5
347.25806	0.5
390.33481	0.4
415.24890	14.0
416.25244	0.9
433.25980	15.7
434.26584	1.0
507.29678	58.8
508.29907	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	507.325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57382	1.1
62.94664	1.1
68.21354	1.1
69.12369	7.1
71.56562	1.1
74.78329	1.2
78.95912	8.6
87.36369	1.1
96.96946	1.5
98.21892	2.6
98.72038	1.1
116.36987	1.2
135.04539	1.4
152.99582	12.9
171.00601	2.1
227.03174	2.2
279.23331	100.0
280.23758	6.1
293.28036	1.5
332.83441	1.2
430.29578	1.2
471.34720	1.8
471.45578	1.3
472.34503	1.3
507.27328	20.8
508.27887	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	507.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70803	16.1
58.81547	18.3
59.45385	15.9
67.19051	18.0
71.98659	16.3
95.20242	17.2
165.53467	15.9
261.01147	18.6
279.22574	18.2
471.35077	31.7
507.18204	100.0
507.25400	35.5
526.56201	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	507.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89540	9.7
54.96911	8.9
60.58987	9.0
69.09013	16.7
69.09414	36.6
72.99343	13.0
78.95905	21.0
92.83172	8.5
95.80436	7.8
98.22672	18.1
103.80349	10.1
135.04474	12.7
152.99532	39.8
178.77899	8.0
188.31331	9.5
188.51515	7.9
197.04616	12.3
227.83157	7.8
277.21762	69.4
278.22122	78.8
279.22397	100.0
321.04376	11.3
341.14233	9.8
471.35184	21.1
507.26367	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55541	0.5
53.59755	0.6
61.98836	100.0
64.92273	0.6
70.25284	1.1
70.25625	0.9
72.99351	0.9
73.75477	0.7
98.22616	0.7
105.03474	0.9
109.02972	1.5
109.17371	0.6
121.03008	0.6
123.04541	1.2
125.46439	0.6
133.02988	3.3
134.03355	1.9
135.04524	4.5
151.04054	1.4
161.02487	0.8
167.28314	0.6
177.01962	0.9
179.03558	1.7
211.07680	1.9
212.08138	1.1
213.09200	1.1
214.09552	1.1
228.65218	0.6
239.07211	1.5
240.07503	1.5
246.66891	0.7
257.08319	2.8
258.08624	2.5
259.33731	0.6
267.06851	0.9
285.07773	1.3
348.13477	1.2
422.29108	0.7
438.16168	0.7
445.62323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59114	55.9
59.01373	60.2
61.98834	59.6
71.40625	67.4
72.99325	100.0
80.16066	51.7
118.43889	55.5
135.04518	90.1
161.02371	76.8
194.78423	59.1
197.04411	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15331	16.6
63.47255	16.1
63.54193	19.0
65.95519	14.8
67.42341	15.7
69.16462	20.3
69.34267	100.0
71.82032	18.0
84.92415	16.5
129.75150	15.7
133.02971	31.6
135.04517	69.5
161.02446	85.3
162.02824	24.2
179.03491	32.9
195.02997	78.3
196.03372	41.5
201.88158	19.5
228.62926	15.0
239.00005	17.2
244.18942	18.5
266.53308	17.5
311.05634	19.9
357.20538	22.7
489.90295	17.2
502.43350	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	509.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.1
59.06222	1.2
60.13570	1.1
61.32889	1.3
67.61795	1.2
69.83237	4.1
71.01395	1.3
72.99316	18.3
90.89128	1.2
102.60580	1.3
109.02935	3.8
110.55365	1.2
123.04533	9.2
133.02985	20.0
135.04539	21.3
147.58934	1.3
149.02512	3.0
151.03990	2.0
161.02461	100.0
162.02870	2.4
179.03514	17.6
185.02467	1.8
197.04565	23.3
234.33768	1.6
267.06873	1.4
329.06744	1.4
347.07727	5.3
359.07739	28.7
509.23907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55544	0.7
57.43637	0.6
59.01371	1.9
62.67850	0.7
72.99318	15.2
74.35077	0.7
78.59630	0.7
83.18755	0.7
87.39848	0.7
109.03026	0.8
114.75819	0.6
123.04542	6.2
133.02966	17.1
135.04546	18.6
149.02460	0.8
161.02464	100.0
162.02811	3.1
179.03506	15.5
182.34554	0.6
197.04565	20.6
223.02551	0.9
269.15552	0.7
347.18600	1.7
359.07782	30.3
360.08167	2.1
387.12283	0.8
509.22861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
70.34936	0.2
71.01384	0.3
72.99315	15.6
89.03988	0.4
91.05534	0.5
93.03494	0.4
95.05047	0.3
98.21867	0.5
101.02478	0.3
106.04190	0.3
106.30988	0.3
107.05036	2.4
108.02234	0.3
109.02962	2.8
112.98823	0.3
116.88335	0.3
117.03478	0.7
121.02966	0.6
123.04535	6.4
133.03000	0.5
134.03769	6.3
135.04546	100.0
136.04877	2.4
137.02480	2.1
137.06102	0.7
145.02969	0.2
147.04550	1.1
149.02464	1.7
149.06001	0.3
151.04042	0.5
161.02498	1.3
163.04015	0.4
165.04362	0.3
175.04060	1.0
179.03520	17.0
180.03807	0.5
185.06096	3.8
193.05096	0.7
197.04578	22.1
198.04909	0.8
198.06876	1.6
205.55083	0.2
206.07347	0.4
209.04668	0.3
211.04312	0.3
211.07718	2.3
213.05644	0.6
217.80420	0.2
221.06117	0.6
222.06877	2.9
223.07655	15.7
224.08044	0.9
239.07179	13.0
240.07538	0.4
241.05077	0.4
241.08720	4.2
241.59053	0.3
249.05548	1.5
250.06169	0.3
255.06673	0.4
257.08243	1.5
267.06638	7.6
268.07086	0.4
281.08328	0.3
283.06219	0.8
285.07709	15.7
286.08035	1.0
293.04645	1.8
311.05655	13.4
312.05933	0.7
313.07214	0.5
329.06708	5.3
329.47961	0.3
347.07748	5.5
348.08203	0.4
356.63623	0.2
391.16147	0.3
447.11050	0.6
465.12143	0.7
499.27142	0.3
509.10938	5.7
509.23376	0.5
510.11316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2395
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
55.01890	5.4
57.03457	4.7
58.00605	1.5
59.01386	77.0
70.71774	0.9
71.01392	83.6
72.01723	1.2
72.99316	19.5
73.02956	30.7
75.00881	1.2
79.85966	1.0
83.01399	15.1
85.02960	37.0
85.03477	2.1
86.00106	1.4
87.00889	3.8
89.02460	21.3
93.78971	0.8
95.01408	5.9
97.02973	1.5
99.00895	10.8
101.02458	69.6
109.02966	3.3
113.02463	40.4
117.03483	2.1
117.18140	0.8
119.03524	3.6
119.05061	4.6
121.02960	1.0
123.04551	9.2
125.02447	3.2
129.01964	1.3
133.02948	1.7
134.03757	2.9
135.04544	22.4
137.02481	1.2
138.03163	0.8
143.03511	3.5
145.02960	5.7
149.02477	2.9
149.06003	1.0
150.03091	0.9
151.04002	1.9
153.01961	2.4
153.05629	1.4
159.03009	8.4
161.02547	9.4
161.04581	36.7
162.02864	1.0
162.04944	1.0
163.04012	4.2
163.07701	3.8
167.03561	1.7
167.07042	1.2
179.03513	13.6
183.10275	3.0
187.80920	1.0
193.05086	1.2
197.04582	24.1
197.06407	1.5
198.04948	0.9
201.11334	2.1
211.06189	1.3
239.05582	1.8
242.13147	1.5
253.05267	0.8
260.14224	2.6
265.07291	1.4
267.06750	2.2
270.16272	1.0
285.07748	1.3
285.18747	2.6
297.06256	2.5
301.18134	2.8
303.19693	9.3
311.05270	1.4
311.08633	1.3
313.07111	1.3
347.18707	4.6
359.10080	4.4
363.16592	11.0
422.19379	7.3
432.22104	1.0
464.20587	1.8
465.25003	84.7
466.25345	5.5
483.26007	2.0
509.13681	10.3
509.24005	100.0
510.13455	1.7
510.24368	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	509.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50288	0.9
57.03440	1.7
58.00586	1.4
59.01385	100.0
69.29356	1.8
69.29751	4.2
71.01389	56.7
72.99315	3.8
73.02953	2.0
73.51675	1.0
75.67498	0.9
83.01389	1.5
85.02957	11.1
87.00869	1.8
89.02455	63.6
95.01401	4.0
99.00886	1.0
101.02454	25.9
109.02963	3.7
113.02454	21.4
119.03519	24.9
123.04548	1.9
127.54170	0.9
129.01950	1.7
131.03508	2.0
133.02977	1.3
135.04532	3.6
143.03525	5.0
149.04616	2.6
161.02443	5.2
161.04558	3.8
179.03455	1.0
179.05623	8.5
197.04605	3.1
231.14044	1.0
236.70699	1.0
239.07185	1.1
241.08600	1.1
247.17046	2.6
248.51424	1.0
275.16541	28.0
276.17053	1.2
285.07596	2.4
285.18613	27.7
287.20047	5.9
303.19736	15.1
311.05557	3.3
329.06653	1.2
329.17615	31.5
330.17929	1.5
437.21808	5.0
509.20071	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11871	0.6
56.70866	0.7
57.23234	0.6
59.01369	3.3
69.68448	3.0
71.01383	2.7
72.99305	2.9
73.02959	0.7
89.33001	0.8
93.03438	0.6
101.02432	1.6
109.02949	1.4
113.02464	1.0
118.17770	0.8
123.04520	1.2
133.02980	3.3
134.03662	1.0
135.04550	7.8
149.02495	1.1
151.03996	1.0
161.02470	10.6
162.46701	0.8
174.03236	0.7
179.03543	4.1
197.04581	2.9
204.89000	0.7
240.38052	0.7
244.14757	3.9
255.17596	4.3
257.19229	1.3
258.16196	0.9
267.06693	1.5
271.17072	1.2
273.18637	86.3
274.18958	6.0
301.18320	0.7
302.18842	1.5
303.19693	100.0
304.20160	5.2
311.02347	0.7
311.05606	2.8
465.24985	54.9
466.25333	4.3
509.23599	5.4
509.35114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67780	90.1
98.22660	44.3
112.69343	27.9
124.70142	22.3
255.75835	23.8
292.05301	26.3
337.42130	28.4
442.39487	33.0
509.30426	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	509.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04032	32.9
59.01394	100.0
59.89045	32.3
60.64016	35.6
66.73223	36.5
70.92741	33.5
78.40942	29.7
94.52760	33.0
124.02023	30.4
150.03195	37.5
161.02466	84.8
162.78687	33.5
267.85440	36.4
360.22028	38.1
468.55255	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93251	0.4
59.01384	100.0
60.01712	0.8
61.80422	0.4
67.23478	0.4
71.01389	4.6
72.99326	0.6
73.02957	2.0
85.02973	1.4
89.02480	0.7
90.20323	0.4
95.01404	0.5
95.49924	0.4
97.02970	0.4
101.02438	2.6
113.02496	1.9
124.35707	0.4
133.02966	0.8
135.04555	1.7
161.02480	2.3
161.04631	1.2
161.69826	0.4
179.03539	1.3
185.63243	0.5
285.73462	0.5
311.13089	0.4
329.48114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26329	0.4
54.85457	0.4
61.98837	100.0
70.97107	0.4
79.62209	0.4
89.65485	0.5
118.54514	0.4
123.04568	1.1
135.04623	0.5
153.05629	1.7
266.84772	0.4
377.02621	0.4
447.15094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55054	1.6
59.01383	17.4
61.98836	100.0
70.72401	3.1
71.01387	4.7
72.99310	5.7
73.02950	14.8
83.01413	2.0
93.78469	1.7
97.97079	1.8
99.04523	62.1
101.02439	6.8
109.02927	3.0
113.02467	2.3
116.92864	4.9
119.04976	1.6
123.04515	2.5
125.02492	2.5
133.02940	4.6
135.04550	11.8
136.04860	1.9
137.86313	1.8
145.02921	2.9
161.02460	20.3
162.02849	8.1
179.03464	7.2
180.03856	3.7
190.02744	4.3
193.05284	1.6
197.04527	5.1
205.05099	4.1
356.70996	2.1
360.07974	5.2
429.49109	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	510.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80082	4.1
53.95697	4.4
55.01860	4.1
59.01382	44.9
61.98840	9.1
69.06172	26.9
71.01387	45.9
72.99310	26.8
73.02959	22.1
83.01411	6.8
85.02945	10.5
87.00800	5.6
99.04508	5.5
101.02484	9.1
101.14146	4.4
109.02977	10.1
119.59103	4.3
123.04513	7.1
124.01666	7.5
133.02983	36.6
134.03787	7.7
135.04543	21.9
137.02463	16.0
139.03996	13.7
150.84230	4.6
151.03963	7.5
161.01115	5.9
161.02463	100.0
161.31314	4.3
163.07646	4.9
177.09200	4.7
179.03542	5.4
194.61066	4.3
197.04433	7.4
198.04874	6.7
198.87123	4.0
212.84114	4.9
217.12283	6.1
219.13867	9.0
230.09464	4.8
233.11850	7.8
245.11809	36.4
247.13425	9.0
253.92934	4.5
261.11478	6.6
263.12851	20.4
287.12836	12.2
305.13956	5.8
321.04150	6.9
349.09247	41.0
357.53522	5.4
389.16187	14.7
407.17227	10.5
425.18124	17.0
451.61563	4.8
467.19208	70.8
468.19424	4.7
497.39340	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	510.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24687	18.3
59.01371	24.2
69.23804	44.9
69.24207	50.9
70.67255	16.7
89.42351	17.3
98.21805	30.5
101.81682	18.4
121.59822	18.5
133.02998	54.6
135.04547	100.0
161.02466	99.2
179.03517	70.4
188.27499	17.3
470.91342	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.9346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	43.4
69.34054	2.4
69.34420	1.0
71.01413	0.7
72.99300	1.3
79.22424	0.7
92.57096	0.5
98.99332	0.6
101.02472	0.6
112.19073	0.7
117.00444	0.8
125.00995	0.8
129.53325	0.5
132.98196	1.7
135.04565	0.7
141.00441	1.0
153.02005	0.8
157.03580	1.0
167.02028	1.7
167.03394	1.0
172.97723	0.9
173.01373	0.6
174.99268	20.0
178.70683	0.7
211.01050	0.8
214.98776	2.9
217.00322	100.0
218.00641	2.8
226.98734	0.7
230.94980	0.7
230.98254	1.2
256.98248	1.0
266.96747	1.7
272.96091	1.6
301.00894	1.1
308.97769	4.9
314.97235	4.6
315.07300	0.8
325.00980	1.2
326.85538	0.6
326.98877	0.7
338.98886	1.0
371.42590	0.6
389.77679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
71.41603	1.0
72.99308	2.7
109.02966	2.4
116.92905	1.0
118.23103	1.0
121.02944	1.1
123.04527	1.9
133.03011	2.2
135.04538	2.9
145.61458	0.8
150.03174	1.0
161.02502	5.1
162.02788	1.6
179.03569	1.6
184.72313	1.0
189.19443	1.0
197.04546	1.9
207.08139	2.6
235.07761	4.6
262.06390	9.3
263.07147	24.1
264.07556	1.8
277.05170	1.1
279.06653	2.3
305.04605	1.3
306.05377	86.0
307.06140	100.0
308.06467	3.5
311.05264	1.0
313.06342	2.1
321.04010	2.2
407.11234	1.5
451.10086	1.6
511.12518	39.5
512.12805	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	48.2
70.69416	1.3
70.69748	0.7
71.01379	3.4
72.99315	14.5
73.02954	2.7
74.87868	0.8
76.23862	0.7
83.01384	1.0
85.02959	1.6
89.02452	1.4
99.04521	1.3
100.42623	0.7
101.01894	0.7
101.02443	4.5
113.02458	2.1
119.03571	0.8
119.30122	0.8
121.02982	2.9
122.03750	1.6
123.00893	0.8
123.04527	3.3
124.01680	2.9
124.02576	0.8
132.02203	1.8
133.02980	32.0
134.03757	5.3
135.04550	11.1
135.05544	1.5
139.04036	6.7
150.03242	2.2
151.04041	4.0
153.01965	0.9
157.06584	1.0
161.02467	100.0
162.02834	2.6
177.02005	1.3
178.02748	3.0
179.03549	3.4
181.05017	0.9
201.05882	0.7
211.06223	1.1
219.69215	0.9
229.12404	3.2
247.13322	0.9
257.04630	5.1
259.06775	0.9
272.07019	1.8
275.09375	0.7
287.09311	2.7
308.44278	0.9
331.08524	1.9
349.05069	1.7
349.09335	33.6
350.09537	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	511.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73539	1.4
59.01388	12.1
59.01649	2.4
61.98841	2.3
67.11740	1.5
69.16423	8.9
71.01384	2.1
72.99316	25.6
101.02396	2.0
105.03419	1.6
109.02971	4.6
121.02975	10.2
122.03770	4.6
123.00951	2.7
123.04546	10.7
124.01671	26.3
132.02167	2.8
133.02975	40.7
134.03767	11.8
135.04546	22.8
136.04811	1.8
137.02477	3.9
138.03256	2.7
139.04030	41.4
144.05907	1.7
149.02426	5.4
150.03284	2.2
151.04028	5.8
161.02460	98.4
162.02768	3.9
164.83345	1.7
177.01971	2.3
178.02669	10.0
179.03542	7.7
185.02487	2.2
197.04568	4.9
210.05225	2.3
211.06142	4.5
229.18129	1.6
257.04721	1.7
283.02750	1.6
298.04846	2.7
313.07266	14.2
321.04086	2.2
331.07996	2.0
349.09286	100.0
350.09552	4.6
469.66165	1.9
495.59949	1.7
511.21732	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	511.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77129	0.8
59.01385	2.4
69.11981	0.7
71.01389	5.8
72.99296	2.3
73.02943	1.2
85.02961	1.6
85.38548	0.6
91.01904	1.4
93.03461	1.1
93.48008	0.7
96.10096	0.8
101.02452	2.4
107.01400	0.9
108.02163	4.7
109.02969	51.7
109.68015	0.7
110.03316	0.8
111.00867	0.9
113.02467	2.5
121.02979	2.3
122.03790	4.8
123.04525	2.4
125.02441	1.1
127.17743	0.7
128.03644	0.8
135.00955	1.0
135.04507	4.9
136.04860	1.3
137.02455	1.2
149.02470	1.0
150.03249	31.1
151.04037	7.0
152.01157	2.1
153.01959	90.0
154.02310	2.2
161.02451	2.7
165.05595	32.0
166.05940	1.2
167.03517	0.9
177.02013	1.2
179.03474	1.8
181.06522	0.7
185.02432	1.2
195.02969	2.2
197.04536	1.5
221.04356	0.7
225.04047	1.4
237.04121	1.5
249.68068	0.8
269.08215	1.0
272.08990	0.7
295.06085	1.0
297.06186	50.3
298.06470	2.3
311.07779	1.5
314.07788	0.7
321.04129	1.5
511.14615	100.0
512.14832	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	511.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03452	0.5
59.01386	4.2
61.00463	0.3
65.00334	0.8
67.01884	0.7
71.01385	5.6
72.99302	1.0
73.02950	2.2
81.03456	1.5
83.01402	2.0
84.21775	0.4
85.02946	3.1
86.15388	0.4
87.00875	0.8
89.02461	0.4
93.03468	0.8
95.01396	3.4
97.02960	0.8
98.72089	0.4
99.00871	0.9
101.02463	4.5
107.01385	0.4
109.02957	2.6
111.00876	1.8
112.98780	0.6
113.02451	1.8
121.02974	7.7
122.00086	1.6
123.00897	8.4
124.01681	0.7
125.02409	0.9
127.00420	2.0
133.02951	0.6
135.04530	1.1
136.98817	1.7
137.02451	15.7
137.99580	0.6
138.03261	5.2
139.00377	3.5
139.03996	1.0
141.01976	0.6
153.01965	1.2
153.05594	9.6
154.02727	0.8
155.03525	3.5
161.02457	0.9
161.04533	0.6
162.02846	0.4
164.75815	0.4
166.02863	0.4
166.99901	3.2
179.03481	1.2
181.01462	11.6
182.02213	8.1
183.02997	5.0
196.03761	1.1
197.04576	26.5
198.04877	1.0
210.01672	0.8
225.04082	2.9
246.36200	0.4
271.17072	1.5
281.06723	0.6
285.05722	0.4
301.18158	1.0
331.19162	0.7
339.05212	0.4
341.08917	0.7
349.20190	3.2
481.17398	3.1
496.19711	5.2
497.19904	0.5
511.21799	100.0
512.22229	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	511.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98840	1.6
71.01388	8.9
71.98233	0.9
72.99319	13.9
73.02959	8.3
83.01401	3.1
85.02973	4.2
87.79671	0.8
89.02448	3.5
98.22700	1.6
99.00887	1.4
99.04583	1.3
101.02438	7.9
105.03471	1.0
109.03016	1.4
113.02477	6.3
113.63916	0.9
119.03575	1.0
121.02956	2.5
123.04517	4.2
124.01672	3.2
132.02191	2.2
133.02969	28.4
134.03830	5.1
135.04547	13.0
139.04041	6.9
148.68973	1.0
149.02530	1.8
149.04582	1.2
150.03207	1.6
151.04004	4.7
153.01894	1.5
161.02466	97.3
161.04381	4.5
162.02817	5.3
163.04071	1.2
177.01918	2.5
178.02757	2.6
179.03500	5.0
179.05672	0.9
180.60718	0.9
197.04521	1.5
211.06110	1.1
227.94266	1.0
229.12402	4.3
242.87021	0.9
247.13536	1.0
257.04584	5.9
272.07013	1.5
277.12762	1.4
287.09186	1.2
331.08234	2.6
348.19208	0.9
349.09305	33.0
349.19348	1.2
350.09216	1.8
427.48486	1.1
467.26538	21.1
468.26645	1.3
511.25220	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	511.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98840	1.6
71.01388	8.9
71.98233	0.9
72.99319	13.9
73.02959	8.3
83.01401	3.1
85.02973	4.2
87.79671	0.8
89.02448	3.5
98.22700	1.6
99.00887	1.4
99.04583	1.3
101.02438	7.9
105.03471	1.0
109.03016	1.4
113.02477	6.3
113.63916	0.9
119.03575	1.0
121.02956	2.5
123.04517	4.2
124.01672	3.2
132.02191	2.2
133.02969	28.4
134.03830	5.1
135.04547	13.0
139.04041	6.9
148.68973	1.0
149.02530	1.8
149.04582	1.2
150.03207	1.6
151.04004	4.7
153.01894	1.5
161.02466	97.3
161.04381	4.5
162.02817	5.3
163.04071	1.2
177.01918	2.5
178.02757	2.6
179.03500	5.0
179.05672	0.9
180.60718	0.9
197.04521	1.5
211.06110	1.1
227.94266	1.0
229.12402	4.3
242.87021	0.9
247.13536	1.0
257.04584	5.9
272.07013	1.5
277.12762	1.4
287.09186	1.2
331.08234	2.6
348.19208	0.9
349.09305	33.0
349.19348	1.2
350.09216	1.8
427.48486	1.1
467.26538	21.1
468.26645	1.3
511.25220	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	511.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60708	0.2
59.01387	2.6
69.13097	0.5
69.13518	0.7
71.01395	0.5
72.99313	1.0
73.02984	0.2
82.95423	1.1
84.52266	0.2
85.02948	0.3
85.39076	0.2
89.02466	0.2
93.03477	0.6
95.11175	0.2
99.01462	0.2
104.02702	0.2
109.02982	0.3
116.92879	0.6
117.03470	1.5
119.05042	87.4
120.05360	2.6
121.02988	0.2
123.04532	0.3
133.02968	0.7
135.04536	2.5
136.04836	0.3
145.02969	8.6
146.03299	0.3
147.04601	0.2
149.02457	0.2
158.31285	0.2
161.02477	2.2
161.04578	0.2
161.06046	0.2
162.02802	0.4
163.04028	100.0
164.04346	2.7
165.87207	0.2
179.03493	0.9
180.03748	0.2
190.74904	0.2
197.04564	1.3
203.12807	0.3
205.05170	0.3
209.06248	0.2
211.07617	0.3
237.05542	0.2
289.18054	0.3
321.04092	0.3
325.09326	5.7
349.16522	3.1
349.20313	1.1
350.16809	0.2
359.09827	0.3
511.20264	1.0
511.24982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
57.03434	0.6
57.62890	0.5
59.01386	100.0
69.12704	3.5
71.01387	3.1
72.15699	0.5
72.99325	1.5
73.02959	4.6
76.49080	0.6
82.95428	1.2
83.01394	1.1
83.95775	0.5
85.02988	1.5
87.00921	1.0
87.09091	0.6
89.02456	0.8
90.07502	0.5
92.95273	0.5
96.09937	0.5
98.22592	1.1
98.78716	0.6
101.02458	4.1
103.77561	0.5
109.02912	0.7
113.02515	1.5
119.03555	0.9
133.02972	1.1
135.04556	2.3
161.02505	1.9
161.04596	1.0
162.02835	0.5
179.03587	0.7
179.53229	0.6
191.10745	0.8
197.04585	1.0
201.12971	0.8
203.14546	1.0
219.13922	3.1
229.12454	0.7
231.10324	0.7
231.13988	0.7
232.11168	2.4
233.11591	0.7
233.15663	0.8
247.13411	13.4
259.13580	0.9
271.13489	1.3
287.12851	1.0
289.14563	2.8
301.14612	0.5
331.15668	1.9
380.44571	0.6
391.17664	12.8
392.18140	1.0
399.11267	0.7
409.18997	2.3
451.20056	1.6
473.29977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62636	2.2
69.10664	14.2
81.48479	2.8
81.95192	2.7
83.10371	2.5
211.73438	2.4
439.19052	2.6
453.33771	100.0
454.34076	10.6
511.29587	76.8
512.29620	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	513.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03463	2.7
67.01894	1.8
69.03448	2.6
69.53012	4.2
69.53425	2.6
71.01407	2.2
75.66763	1.9
83.01389	22.2
85.02967	3.6
93.48174	1.6
95.01489	1.8
96.95996	1.5
97.02936	2.4
99.00872	3.2
100.01694	2.5
108.02164	1.8
109.02960	14.4
111.00894	30.5
113.02470	6.0
113.08199	1.4
122.03770	10.2
123.04543	6.1
125.02481	8.1
128.01180	3.8
133.02966	2.8
134.03754	3.2
135.04561	7.7
137.02448	4.7
139.00385	28.6
139.03993	4.7
140.00635	1.7
145.03021	1.5
146.03757	2.5
147.04472	2.7
148.01689	2.4
149.02454	12.1
150.03119	1.8
156.00662	26.8
157.01430	23.9
159.04532	3.4
161.02429	8.7
163.04025	5.4
167.03545	1.4
173.02403	2.2
174.03273	2.5
175.04013	2.7
177.01953	8.2
178.02667	1.8
187.04054	6.6
188.04767	2.9
189.01976	2.4
189.05498	1.8
190.02760	4.7
191.03485	13.2
193.05075	30.1
201.05600	1.4
203.03482	7.1
203.07166	1.9
205.01428	9.2
206.02209	16.3
206.05806	3.6
207.06664	23.2
215.03519	2.6
216.04274	2.2
219.03041	3.3
219.06667	4.0
221.04456	1.8
222.05470	2.1
229.05132	2.3
231.06708	5.2
233.02556	1.6
233.04596	6.8
234.05345	26.6
247.06116	3.3
251.05710	3.2
257.04648	3.2
275.05627	10.3
277.00632	1.6
277.07181	2.9
279.05173	5.9
279.08704	7.7
289.07214	17.0
307.08279	100.0
308.08698	4.5
422.38223	1.6
441.10382	6.7
451.12195	3.1
469.13361	2.4
495.11725	2.5
513.12732	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	513.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41794	0.7
55.01888	1.7
56.11524	0.7
57.03442	2.5
59.01386	14.5
71.01389	15.3
72.99313	2.4
73.02951	1.6
83.01405	3.7
85.02952	13.8
87.00883	29.3
96.96035	2.0
99.00876	1.0
101.02442	1.7
111.00927	1.2
113.02442	4.1
115.00382	51.9
117.07191	0.7
125.02465	1.2
127.00349	5.2
132.02184	2.3
133.02969	1.7
134.03761	17.5
135.04564	2.6
147.04585	1.5
148.05363	1.0
149.06100	3.4
159.23889	0.7
160.01669	15.3
161.02371	2.2
175.02501	100.0
175.04025	21.7
176.02933	1.4
176.04764	3.2
177.01970	0.7
179.03497	1.0
191.07170	4.1
193.05058	15.3
207.06519	1.3
235.06148	13.2
265.07272	2.5
295.08350	4.4
337.09326	18.1
337.13092	1.4
379.92957	0.8
441.13809	2.3
513.12506	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	513.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23472	3.1
57.03456	95.0
59.01385	100.0
66.29896	3.2
72.99319	4.0
75.43536	3.1
99.04525	86.5
99.98603	3.1
101.02450	14.4
105.11155	3.7
120.42030	3.0
125.02453	35.3
133.02986	3.7
135.04550	19.0
153.55247	3.4
158.60953	3.3
161.02455	12.1
179.03636	3.6
179.83156	3.1
232.37532	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	513.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23472	3.1
57.03456	95.0
59.01385	100.0
66.29896	3.2
72.99319	4.0
75.43536	3.1
99.04525	86.5
99.98603	3.1
101.02450	14.4
105.11155	3.7
120.42030	3.0
125.02453	35.3
133.02986	3.7
135.04550	19.0
153.55247	3.4
158.60953	3.3
161.02455	12.1
179.03636	3.6
179.83156	3.1
232.37532	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	513.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74610	2.4
57.03456	65.4
57.62799	2.6
59.01386	100.0
62.20526	2.6
68.87708	2.5
71.01393	8.5
72.99314	15.8
73.02935	6.0
87.00875	2.7
89.02481	2.8
96.96024	2.7
99.04534	67.3
99.05177	3.3
101.02454	10.9
105.25592	2.5
117.03452	4.2
119.05046	11.3
125.02464	27.0
133.02953	14.6
135.04562	13.8
143.03603	2.9
144.98203	2.4
145.02963	7.7
161.02472	42.5
163.04019	25.9
177.04063	3.2
179.03468	7.2
197.04605	4.4
294.20685	2.6
317.47351	2.7
392.95404	2.7
494.03876	3.0
513.19965	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	513.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23354	1.5
52.11491	1.5
53.78917	1.7
57.03455	100.0
58.24104	1.7
59.01386	79.2
69.22663	4.3
69.23064	5.7
71.01372	4.6
72.37838	1.6
72.99285	2.0
73.02954	14.0
81.03479	4.1
83.01395	2.4
89.02428	2.5
91.65571	1.6
98.21821	2.9
99.04533	83.5
100.04871	1.9
101.02457	24.5
113.02443	3.7
125.02467	35.5
135.04549	3.7
143.03506	4.2
161.02463	4.1
161.04526	3.3
174.43549	1.9
179.03403	2.0
232.93695	1.7
235.91566	1.4
316.33875	2.0
434.76270	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	513.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
55.42097	0.6
58.72846	0.5
59.01385	9.3
61.98834	0.8
69.24336	3.2
71.01394	2.8
72.99307	5.8
73.02956	4.7
74.20187	0.5
83.01437	1.0
86.91874	0.5
89.02441	0.7
96.96006	1.6
98.21897	1.3
101.02434	2.9
108.02172	0.6
109.02950	5.1
113.02477	1.2
123.04556	5.9
133.02948	1.9
134.03740	1.1
135.04527	8.7
136.04900	0.7
137.06113	0.9
145.91350	0.6
147.04555	0.7
149.02441	0.7
161.02460	4.5
163.07655	2.5
165.09216	3.5
166.06413	0.8
173.02451	0.6
175.11269	1.6
177.05585	0.6
177.09167	2.9
179.03526	3.5
179.10789	1.1
183.51031	0.7
185.02426	1.7
185.65001	0.6
187.07802	0.7
188.08540	0.9
191.07152	17.8
192.07697	1.2
193.12355	12.3
197.04549	4.6
203.10800	12.7
205.08711	4.0
205.12370	1.8
206.09491	60.5
207.06702	3.0
207.09853	2.2
219.10295	1.5
220.11067	1.1
221.11841	86.1
222.12183	3.5
229.08595	1.2
231.06677	0.9
247.09738	6.4
248.10306	0.9
249.05435	0.9
252.09897	0.7
263.13010	0.8
265.04843	0.7
265.10818	7.9
267.06638	1.6
277.04971	1.0
279.02957	2.3
293.04623	1.0
295.06067	2.1
311.05716	1.1
321.04086	5.9
339.05179	3.2
394.33801	0.6
425.18198	2.1
427.16113	15.3
428.16782	0.9
469.17169	100.0
470.17435	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	513.2115
Annotation	Gomisin E
Peak:m/z	Relative Intensity
53.72989	5.6
59.01378	13.1
61.98838	11.2
71.01370	12.2
72.29385	5.6
96.96027	7.8
98.51793	5.5
121.02981	19.6
121.22546	6.3
135.04541	14.3
137.02504	8.9
138.03267	6.5
153.05580	22.3
165.75514	5.8
177.75908	6.0
194.91595	5.9
197.04594	58.8
202.03389	5.5
214.94720	5.8
239.05589	13.0
325.90228	5.3
333.03885	9.3
345.47470	6.2
367.84744	6.1
386.54651	5.7
408.50143	5.6
460.75259	5.8
477.16171	100.0
477.22809	11.6
478.16458	9.3
513.21228	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2755
Annotation	Cytoglobosin D
Peak:m/z	Relative Intensity
69.14127	4.6
72.43671	0.7
96.08086	0.7
98.22706	1.4
126.26453	0.8
229.76228	0.8
249.57562	0.9
300.60361	0.7
343.88251	0.7
365.52277	0.8
389.39313	0.8
409.31183	0.9
455.31696	71.4
456.32050	5.0
513.27551	100.0
514.27759	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	513.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78326	0.1
55.01870	0.5
59.01387	9.0
62.83023	0.1
70.92579	0.2
71.01389	6.1
71.16644	0.1
73.02948	1.1
83.01388	0.6
83.05028	0.2
85.02955	1.4
85.60432	0.1
87.00877	0.6
89.02451	4.4
91.04059	0.2
95.01398	0.5
97.02929	0.2
99.00875	0.3
101.02454	5.2
101.03117	0.3
103.04013	0.2
113.02458	2.4
115.03946	0.2
115.57767	0.1
119.03511	1.2
125.02457	0.1
127.07697	0.3
131.03525	0.2
133.05109	0.3
143.03529	0.4
157.05096	0.2
161.04578	2.1
179.05609	0.6
233.22797	0.4
235.08292	1.0
253.09315	15.9
254.09715	0.4
259.20676	0.5
275.20203	0.2
277.21747	100.0
278.22067	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	513.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60941	0.1
55.01849	0.3
57.03429	0.2
58.00598	0.1
59.01384	9.1
61.71644	0.1
69.03455	0.1
70.91797	0.1
71.01386	5.4
72.99268	0.2
73.02951	1.4
75.00835	0.1
83.01384	0.7
83.04980	0.2
85.02960	1.4
87.00880	0.7
89.02453	4.4
91.04006	0.2
95.01369	0.3
97.02953	0.2
99.00851	0.3
99.04536	0.1
101.02450	5.1
103.03960	0.1
113.01726	0.1
113.02460	2.1
119.03516	1.2
125.02451	0.2
127.07594	0.3
131.03471	0.2
133.05045	0.3
143.03537	0.4
149.04532	0.2
157.05037	0.2
161.02464	0.1
161.04561	1.8
179.05605	0.6
205.19569	0.1
233.22769	0.4
235.08237	0.9
253.09302	16.1
254.09607	0.4
259.20773	0.2
275.20142	0.3
277.21738	100.0
278.22070	4.5
488.69330	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25867	0.9
51.77029	1.1
62.99482	1.0
69.10592	7.4
311.04987	1.2
332.83124	1.2
455.35349	72.1
456.35559	6.6
513.31097	100.0
514.31830	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	513.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32566	0.7
58.20457	0.7
70.64456	0.8
70.64794	1.1
79.88706	0.7
114.59882	0.7
218.32741	0.7
257.24200	0.7
364.70050	0.7
406.93597	0.8
455.35358	65.4
456.35745	6.3
513.31036	100.0
514.31268	7.4
518.13361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	43.9
69.74156	1.4
69.74490	5.4
71.01381	20.9
72.00912	3.4
72.99300	1.4
84.73762	1.3
85.02944	3.1
87.00896	1.9
89.02454	17.8
92.05057	2.1
97.02873	1.2
101.02458	9.3
101.79048	1.3
108.04559	1.8
111.84955	1.6
113.02470	7.0
116.05094	14.5
119.03500	6.1
120.04545	5.5
122.06133	12.1
130.06564	3.0
130.43124	1.6
133.02986	3.5
134.03252	1.6
134.06102	2.1
135.04526	3.2
138.05649	3.9
142.06636	3.0
146.04898	6.6
147.05640	4.9
150.05682	1.9
154.05392	4.4
161.02460	7.8
161.07213	27.1
162.02776	6.9
167.06166	13.9
169.07719	24.9
173.07208	6.7
179.03542	2.4
179.05542	2.6
179.08308	2.6
213.06792	2.8
232.06367	2.3
244.93250	1.4
245.10907	4.3
246.08060	3.9
247.08772	30.4
248.09586	11.9
258.07965	1.7
259.08783	2.1
261.10352	24.5
262.10455	2.1
263.11899	65.3
264.12177	2.5
267.91196	1.4
273.10355	9.7
274.10986	4.8
288.11481	5.7
290.13007	100.0
291.13348	4.3
300.10797	2.9
341.13617	26.4
353.13574	21.5
427.14853	2.3
441.16663	12.1
470.19339	57.2
471.19669	3.9
476.15051	15.2
477.15204	1.8
514.18280	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	514.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36807	0.5
61.98836	100.0
69.69102	0.6
69.69441	1.6
72.59654	0.6
72.99311	1.3
96.96036	1.5
116.50006	0.5
123.04539	0.8
133.02963	0.6
135.04572	1.8
161.02486	1.9
189.43263	0.5
197.04625	0.8
214.04974	0.8
250.14992	0.5
291.04459	1.0
321.04321	1.9
353.04544	1.1
404.49857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40193	0.6
51.72252	0.5
59.01374	3.4
61.98830	0.7
69.54585	0.5
70.76334	0.6
71.01386	0.8
72.99310	3.9
85.02962	0.6
86.23795	0.5
96.96028	1.7
101.02473	0.8
102.98631	0.6
107.01411	0.9
109.02960	9.5
109.98232	0.6
121.03069	0.8
123.04535	1.2
125.02456	0.9
133.02963	1.0
134.03664	0.7
135.04530	4.7
136.04822	0.9
137.02467	3.1
147.04544	0.6
149.02481	0.6
151.03946	0.6
159.04510	0.7
160.01784	1.1
161.02473	4.3
162.02829	0.6
164.01169	2.8
165.01981	2.7
175.04018	1.0
177.01949	0.9
179.03484	2.1
184.01634	1.6
185.02448	7.3
186.03174	2.1
191.05019	0.7
191.79315	0.6
193.01407	7.3
193.06580	3.5
195.04504	1.2
197.04564	2.8
204.05775	0.8
208.05246	0.8
209.06071	2.0
213.01965	0.8
214.02782	0.8
219.04587	2.9
220.05199	3.0
221.06076	7.2
222.06551	1.1
223.04086	1.2
224.04831	0.6
225.05481	0.8
226.48483	0.7
231.04555	1.0
232.05159	1.7
233.05951	0.9
235.04050	0.8
236.04927	1.2
237.05574	3.0
239.07120	0.8
246.00734	0.6
247.03894	3.0
248.04826	6.5
249.05565	14.0
249.08046	1.1
250.02811	0.9
250.06076	1.2
251.03419	5.3
252.04317	0.8
259.07544	0.5
260.04825	0.8
263.03461	1.2
264.04324	2.3
265.05051	12.2
266.05615	0.7
267.06509	2.8
268.07031	0.6
275.03506	2.9
276.04224	3.1
276.33481	0.6
277.05106	10.8
278.02408	0.6
278.05527	1.3
279.02939	5.7
280.03687	1.7
292.03876	0.9
293.04590	20.3
294.05078	1.5
295.06165	2.8
303.03125	2.9
303.06018	0.6
304.03775	0.8
319.02383	1.7
321.04059	100.0
322.04358	6.4
334.56152	0.7
339.05093	12.7
339.09088	0.4
340.05511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
69.27306	0.7
70.02985	2.4
72.98901	1.1
72.99319	23.7
74.02477	2.2
94.46922	0.6
96.96026	12.6
97.15879	0.6
100.00424	4.7
107.05046	0.8
109.02969	2.3
117.03465	0.7
123.04543	8.8
133.01205	1.8
134.03751	2.3
135.04539	36.6
136.04858	2.8
145.88042	0.6
149.00697	1.2
151.04044	1.4
155.03822	0.9
156.30557	0.6
161.00719	2.1
161.02470	0.9
163.00998	4.8
164.01778	2.1
170.02502	4.1
174.00229	4.2
176.01762	5.7
177.00212	0.8
179.03508	13.8
180.03822	0.7
183.03268	4.8
185.02464	0.6
186.00339	0.8
187.00893	0.7
188.01788	5.7
189.02501	1.5
190.03351	8.5
191.00505	7.4
192.01271	3.1
192.04980	1.1
193.01424	1.0
196.04005	0.8
197.04575	20.5
198.04971	0.7
201.99702	2.9
202.03337	3.6
204.04889	4.2
211.26254	0.6
213.99472	0.8
215.00504	1.1
216.01311	18.6
216.39456	0.7
218.02829	19.9
228.03156	1.2
230.02818	5.7
239.04680	1.2
245.01462	1.5
245.03958	5.3
246.02313	1.0
247.05479	9.1
249.05444	0.8
260.00244	4.9
267.06488	0.8
273.03424	100.0
274.03680	4.2
289.02835	1.1
291.04443	4.0
293.04590	0.9
296.17548	0.7
299.01324	2.3
317.02399	12.1
319.02573	0.9
321.04117	4.0
335.03403	4.2
339.05066	1.1
395.06323	0.7
439.04355	0.6
456.08728	0.7
481.04999	0.8
482.05634	1.0
499.07047	1.0
515.07629	5.4
515.28253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58292	1.2
59.01380	4.6
67.81985	1.1
68.39492	1.3
69.21368	5.8
72.99315	24.2
74.02482	1.9
78.21481	1.3
87.13490	1.3
97.01181	2.1
97.04033	1.8
100.00420	19.1
109.02982	3.9
132.02220	1.8
133.02039	2.3
133.02966	27.3
133.23763	1.4
134.03752	2.5
135.04546	42.8
136.02235	1.5
136.04884	1.7
137.00639	1.7
139.02231	2.0
150.98787	1.4
151.02234	2.3
152.01767	2.0
154.03389	1.7
158.06093	1.7
161.02460	100.0
162.02747	2.8
163.00943	1.6
164.01759	3.2
176.01764	14.0
178.03349	15.5
179.02048	2.0
179.03535	31.0
180.04945	1.8
185.02525	1.7
189.02518	4.0
190.03406	7.3
192.04895	13.4
197.04535	1.6
201.06671	3.3
204.01308	2.1
204.04878	7.5
216.01274	1.6
219.03572	3.2
220.00760	6.6
220.04376	3.5
234.02283	3.4
235.05481	54.5
236.03862	3.6
236.05945	2.3
247.05655	6.2
247.49344	1.3
248.03935	5.9
249.05621	2.3
263.02512	2.0
264.03345	4.3
265.05151	2.5
273.36566	1.3
277.05261	1.8
279.04535	34.1
291.04486	54.8
292.04584	2.2
293.04541	7.3
295.06186	3.2
309.05527	30.8
310.05795	1.6
317.02582	1.5
321.04041	19.5
322.04236	1.8
335.03448	14.7
339.04956	2.4
353.04498	51.8
354.04340	1.8
402.00732	1.4
447.95779	1.5
473.31677	1.4
515.07758	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	515.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
69.27306	0.7
70.02985	2.4
72.98901	1.1
72.99319	23.7
74.02477	2.2
94.46922	0.6
96.96026	12.6
97.15879	0.6
100.00424	4.7
107.05046	0.8
109.02969	2.3
117.03465	0.7
123.04543	8.8
133.01205	1.8
134.03751	2.3
135.04539	36.6
136.04858	2.8
145.88042	0.6
149.00697	1.2
151.04044	1.4
155.03822	0.9
156.30557	0.6
161.00719	2.1
161.02470	0.9
163.00998	4.8
164.01778	2.1
170.02502	4.1
174.00229	4.2
176.01762	5.7
177.00212	0.8
179.03508	13.8
180.03822	0.7
183.03268	4.8
185.02464	0.6
186.00339	0.8
187.00893	0.7
188.01788	5.7
189.02501	1.5
190.03351	8.5
191.00505	7.4
192.01271	3.1
192.04980	1.1
193.01424	1.0
196.04005	0.8
197.04575	20.5
198.04971	0.7
201.99702	2.9
202.03337	3.6
204.04889	4.2
211.26254	0.6
213.99472	0.8
215.00504	1.1
216.01311	18.6
216.39456	0.7
218.02829	19.9
228.03156	1.2
230.02818	5.7
239.04680	1.2
245.01462	1.5
245.03958	5.3
246.02313	1.0
247.05479	9.1
249.05444	0.8
260.00244	4.9
267.06488	0.8
273.03424	100.0
274.03680	4.2
289.02835	1.1
291.04443	4.0
293.04590	0.9
296.17548	0.7
299.01324	2.3
317.02399	12.1
319.02573	0.9
321.04117	4.0
335.03403	4.2
339.05066	1.1
395.06323	0.7
439.04355	0.6
456.08728	0.7
481.04999	0.8
482.05634	1.0
499.07047	1.0
515.07629	5.4
515.28253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40739	3.0
56.75772	3.4
57.38047	3.0
59.01385	78.3
71.01395	49.8
71.43070	3.9
72.99298	4.8
75.00910	3.8
78.90430	3.4
85.02966	7.5
87.00909	5.2
89.02456	55.2
90.78063	3.4
92.93763	3.8
95.01413	3.6
101.02469	23.0
113.02456	22.9
119.03481	14.1
142.99876	17.9
149.02603	3.3
155.86118	3.7
161.04568	7.4
169.68756	3.8
172.25542	3.6
173.00948	5.5
173.04453	4.4
176.98012	8.0
179.05638	28.9
192.95944	5.1
217.00391	6.5
231.06110	3.4
246.68211	3.5
318.99454	7.5
341.07059	6.8
341.10934	100.0
342.11139	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	515.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02473	2.5
55.50123	2.6
55.58963	2.6
59.01386	76.6
63.89954	2.4
70.25832	6.9
71.01389	49.3
75.00867	5.4
85.02958	7.4
85.04455	2.7
87.00875	9.0
89.02451	55.0
98.21937	3.7
99.00884	3.2
101.02473	27.4
112.67622	2.5
112.98804	4.4
113.02455	13.1
119.03513	17.7
129.01970	3.6
131.03522	3.4
131.08220	3.0
142.99866	13.0
143.03534	6.0
161.04587	6.5
173.00963	5.4
176.98099	4.8
179.05638	33.6
182.62350	2.8
198.69658	2.6
231.00714	2.7
243.03568	3.7
249.92847	2.6
341.10922	100.0
342.11136	5.1
412.13361	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	515.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03457	0.8
59.01388	11.3
71.00275	0.4
71.01397	7.8
71.43195	0.4
72.99323	3.1
73.02954	2.7
73.98326	100.0
74.99104	24.9
75.96062	0.4
83.01405	1.0
85.02984	3.6
87.00871	0.5
89.02473	1.2
95.01387	0.6
96.96030	0.9
99.00886	0.7
101.02459	4.8
109.02982	0.6
113.02460	4.1
119.03478	0.5
123.04534	0.5
125.02406	0.5
133.02962	2.4
135.04550	4.5
143.03578	0.8
149.02409	0.7
159.03014	1.1
161.02475	8.3
161.04553	5.4
162.02869	1.0
179.03479	2.3
197.04538	1.0
205.12303	0.5
283.10403	1.2
309.05759	0.6
309.15329	28.4
310.15887	1.4
311.05743	0.9
321.04181	0.8
353.04572	0.7
353.14624	2.4
515.19855	3.7
515.27985	0.9
530.13007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.11175	5.6
61.98840	11.3
71.01382	24.1
72.99303	34.8
73.02944	26.2
83.01407	7.7
85.02994	8.5
87.00925	5.4
99.04540	5.6
101.02446	20.0
109.02962	5.9
113.02447	8.4
123.04511	12.1
133.03000	34.5
133.58621	5.5
135.04530	80.1
136.04832	9.1
137.02448	6.7
151.04076	7.2
152.01286	5.6
161.02452	93.6
162.02858	16.5
167.03548	9.1
178.65512	4.7
179.03555	39.4
197.04547	24.0
267.06653	10.2
293.21381	7.2
311.05701	15.6
312.06290	7.5
329.65137	4.9
340.05191	6.6
357.06464	9.8
358.06476	6.5
358.28104	6.1
359.07651	8.7
455.26480	10.4
473.27487	15.3
515.28613	87.4
530.36469	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	515.2867
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01886	1.5
55.85712	0.3
57.03447	1.5
58.00595	0.4
59.01386	35.2
61.98826	0.3
62.27156	0.3
67.04127	0.3
68.56490	0.3
69.03447	1.1
71.01391	14.2
71.04997	0.3
72.01727	0.3
72.99319	2.2
73.02950	5.2
75.00862	0.5
79.10359	0.3
81.03461	0.3
83.01400	3.0
85.02468	0.4
85.02961	5.9
86.00082	0.6
87.00890	3.1
87.71731	0.3
89.02460	1.9
95.01370	1.5
97.02950	0.9
99.00874	1.1
101.02454	7.2
111.00885	0.6
112.01687	0.6
113.02458	3.7
116.92870	0.5
119.03510	0.7
123.04557	0.5
124.01693	1.3
125.02460	1.6
125.09716	0.7
133.02965	1.5
134.03700	0.5
135.04558	3.4
135.16994	0.2
136.04852	0.3
141.12845	0.6
143.03500	0.3
150.03275	0.3
152.07048	0.3
161.02460	4.1
162.02779	0.6
171.08788	0.6
171.10286	12.7
179.03526	1.2
183.10292	0.5
185.11798	0.6
197.04527	1.1
201.11424	0.4
217.00514	0.2
263.20203	0.6
275.13992	0.3
275.20270	2.2
293.21252	5.6
294.21713	0.4
311.22330	9.6
312.22385	0.5
329.23663	0.5
335.22144	0.3
353.23199	0.4
357.06100	0.6
358.06586	0.4
437.25470	0.8
455.26544	15.0
456.26779	0.8
473.27570	29.6
474.27954	1.9
497.27792	0.5
515.28644	100.0
516.28986	7.0
523.73187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3022
Annotation	Probucol
Peak:m/z	Relative Intensity
57.03471	1.1
59.01385	5.5
60.15512	0.8
63.05185	0.8
67.39513	0.9
67.79968	0.9
71.01379	1.8
72.99316	1.9
73.02932	1.3
74.42775	0.9
82.29655	0.9
85.02968	1.2
101.02468	1.2
109.02945	1.2
133.03027	0.9
135.04515	2.9
161.02463	2.3
171.49066	1.1
179.03528	1.7
197.04594	2.0
198.30809	0.9
223.17020	2.2
229.21082	1.1
311.22327	1.6
387.26843	1.6
455.26526	2.3
467.28052	59.3
468.28290	3.9
473.27579	2.5
485.29071	6.3
515.30060	100.0
516.30560	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	515.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
59.65853	0.5
69.49657	1.0
69.50066	2.0
135.04533	0.6
251.46103	0.5
307.03723	0.6
321.71420	0.6
379.30167	0.8
437.30759	1.0
515.33813	100.0
516.34216	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	515.3381
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
59.01386	0.2
68.69032	0.2
69.74429	0.8
87.36847	0.2
87.47667	0.2
91.67380	0.2
95.90842	0.2
101.40018	0.2
189.91299	0.2
213.05792	0.2
276.02576	0.2
278.52524	0.2
333.46503	0.2
363.26947	0.8
379.30182	1.0
393.28116	0.2
407.29514	0.3
409.31143	0.7
437.30710	1.1
515.33832	100.0
516.34186	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	516.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03828	20.8
57.15102	23.0
68.34894	21.9
69.22811	100.0
77.41629	19.8
92.01162	20.1
98.21942	43.7
161.02464	20.9
164.82228	21.0
164.83733	22.2
172.62930	23.6
313.18164	44.5
383.47562	23.4
512.48596	23.6
526.56281	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	516.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59902	5.8
53.72317	5.5
58.77875	6.6
68.13581	5.9
69.20343	14.6
69.20744	33.9
76.78062	6.3
80.01669	5.7
80.20268	6.4
81.18928	5.8
87.55150	6.4
98.21877	11.3
115.14149	6.7
133.02982	23.9
135.04527	11.6
145.60545	7.3
161.02466	100.0
162.02930	6.6
473.32632	17.9
482.24927	8.4
494.46002	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	517.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	72.1
61.98841	0.9
69.19862	0.4
98.22723	0.8
121.98281	0.3
132.98212	1.9
152.55135	0.3
157.03601	1.0
174.99265	32.3
179.28564	0.4
192.96080	0.4
201.02563	9.0
202.02762	0.8
204.91209	0.3
217.00310	100.0
218.00636	1.6
221.14311	0.4
231.01793	0.5
292.96085	0.7
343.03775	0.7
359.01489	12.0
360.01758	0.7
374.99237	55.3
375.99594	1.5
516.96222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98735	0.5
53.58885	0.5
57.99492	0.5
58.17218	0.5
58.63564	0.5
59.01383	65.9
69.74577	1.0
69.74934	1.2
84.26851	0.5
88.99981	0.5
132.98225	1.5
144.82124	0.5
157.03575	1.1
174.99257	30.3
185.36691	0.6
201.02574	6.7
217.00314	100.0
218.00690	1.4
355.03262	0.6
359.01462	11.2
360.01703	0.8
360.96686	0.5
374.99240	53.8
375.99554	1.7
397.04587	0.8
439.21036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67527	0.5
57.13137	0.5
59.01385	67.3
71.02158	0.6
72.59901	0.5
77.08331	0.5
82.81536	0.6
89.27889	0.5
132.98187	2.0
136.01266	0.5
142.29454	0.5
147.20399	0.5
151.42947	0.6
157.80222	0.5
174.99261	29.6
201.02553	6.9
202.02660	0.6
217.00314	100.0
218.00655	2.0
276.98151	0.6
359.01505	13.9
374.99243	54.4
375.99548	2.2
398.99423	0.7
400.16809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85623	0.4
59.01384	2.1
61.95908	0.4
66.33823	0.4
71.01395	0.8
84.47340	0.5
86.83710	0.5
98.22650	1.4
101.02467	0.6
109.02995	1.6
123.54851	0.5
134.83804	0.4
135.04558	2.4
180.05879	0.4
185.02512	0.8
191.05138	1.2
193.06693	0.6
207.04565	0.5
209.06081	1.0
219.04498	5.9
220.05289	2.3
221.06149	2.0
222.03299	0.4
226.02608	0.4
231.04541	1.4
234.03201	1.1
235.04015	14.6
236.04793	3.1
237.05598	6.8
237.92789	0.4
239.07156	0.6
247.04056	3.1
248.04797	1.2
249.05632	1.8
250.02847	1.6
262.02689	0.6
263.03503	16.5
264.04276	5.4
265.05081	6.0
275.03458	2.1
277.05127	0.7
279.03064	1.1
290.02356	2.1
291.03009	8.2
292.03595	0.6
293.04587	16.4
294.04816	0.7
295.06244	0.7
307.89594	0.4
318.01862	0.4
319.02515	5.1
321.04086	1.6
337.03568	100.0
338.03915	5.7
339.05057	1.4
389.39688	0.5
517.07788	32.4
518.08258	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	517.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47354	2.8
59.01386	72.9
62.38242	2.5
69.26543	12.3
71.01394	30.1
74.19022	2.3
80.25606	2.3
82.00627	2.9
85.02966	7.9
87.00893	5.0
89.02451	21.6
96.96000	3.4
99.00885	3.1
101.02472	14.5
112.98795	4.7
113.02500	12.2
118.96641	19.3
119.03497	11.1
119.05039	3.2
121.02951	14.5
123.00906	5.3
125.99611	29.5
132.02138	4.7
132.98219	18.1
133.02959	4.3
134.03758	12.5
135.04575	2.9
137.02449	6.1
138.03233	5.0
139.03975	3.2
143.43959	2.5
149.06059	2.8
153.05605	17.6
156.98213	9.8
160.01680	22.7
160.97723	12.7
161.02354	2.7
165.01930	3.1
166.99826	2.7
172.17924	2.5
174.99252	14.5
175.04027	36.4
178.02623	3.1
179.05687	3.2
181.01447	8.2
182.02213	11.2
182.99724	3.4
193.05119	15.4
196.03905	3.8
197.04578	51.7
210.99226	3.5
211.06165	8.3
217.00316	100.0
224.03160	2.8
229.00281	19.9
235.06047	3.6
239.05618	23.6
247.01372	4.7
257.08295	4.5
259.01361	10.9
260.94705	2.7
271.01294	4.2
277.02606	4.6
295.01422	2.9
313.02405	10.0
325.61267	2.4
337.02518	8.9
337.09253	5.3
341.10574	3.3
349.02475	3.1
354.99396	5.1
355.03497	54.7
359.09888	77.3
360.10315	2.7
367.03488	3.2
385.09348	7.2
397.04562	48.9
457.06448	5.5
517.08844	19.6
517.15704	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	517.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
58.99615	0.4
59.01385	8.7
60.22544	0.4
61.98832	4.3
69.34189	1.0
69.34602	1.4
71.01399	1.8
73.02955	0.9
85.02957	0.5
87.00902	0.8
87.63871	0.4
89.02483	0.7
89.04002	0.4
95.45071	0.5
101.02469	1.7
102.98622	1.3
107.05035	0.8
113.02448	1.6
117.03516	1.0
124.13261	0.4
125.30682	0.5
129.70094	0.4
132.02213	1.0
133.02908	1.2
134.03761	9.0
135.04539	100.0
136.04868	1.8
160.01683	4.1
161.02446	3.7
161.04504	0.6
175.04008	6.8
177.42654	0.5
178.02718	0.7
179.03513	75.0
180.03828	2.1
193.05038	4.6
249.06117	0.8
283.04913	1.6
293.04575	0.5
297.09830	1.0
323.07669	2.2
337.03378	1.1
337.04660	0.8
337.09320	17.6
338.09683	0.8
341.08801	5.0
364.60397	0.5
473.14600	2.7
517.13208	1.7
517.20709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32484	0.4
59.01382	8.1
71.01397	1.4
73.02949	0.7
89.02453	0.7
101.02479	1.0
107.05049	1.5
113.02449	0.7
117.03499	0.5
125.99641	0.4
132.02203	2.0
133.02966	6.9
134.03752	8.2
135.04543	100.0
136.04871	2.3
149.06084	1.6
160.01672	6.8
161.02466	24.8
175.03998	6.5
177.05597	2.5
178.02763	0.7
179.03514	86.0
180.03857	2.3
191.07104	0.5
193.05064	3.6
203.03447	0.6
206.72884	0.5
221.04547	5.3
251.05585	5.0
275.02969	0.6
281.06668	6.6
293.04541	1.1
323.07742	10.0
328.98761	0.5
337.03452	0.9
337.09338	5.2
340.70459	0.5
341.08832	7.9
450.35248	0.4
517.07141	0.5
517.13739	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	517.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97540	1.3
57.86813	1.2
59.01385	100.0
59.98064	1.1
60.99320	10.3
61.98833	2.4
69.63049	4.3
71.01399	8.4
72.99317	2.5
73.02947	7.8
83.01389	1.6
85.02952	1.7
88.98811	77.2
89.02443	4.6
89.53197	1.2
91.44675	1.2
96.96030	3.3
101.02438	9.1
109.02946	3.5
113.02428	4.8
116.92849	4.9
119.05032	2.0
123.04515	1.9
125.99556	2.3
133.02975	5.2
134.03767	2.0
135.04529	43.7
135.05515	3.0
136.04871	2.3
149.06114	1.7
160.01691	2.3
161.02467	21.4
161.04507	3.0
163.03961	1.8
167.03581	1.6
175.04018	3.1
179.03529	28.3
179.05266	1.8
179.05768	1.7
191.87022	1.2
193.05086	2.2
197.04541	3.0
210.37936	1.2
229.88927	1.4
240.04204	1.4
242.62810	1.3
265.05154	1.6
277.05048	1.9
293.04636	8.2
299.05872	1.4
311.05713	4.0
312.16473	1.3
319.02380	1.9
321.03934	1.6
337.03592	11.7
355.04492	2.1
397.22333	3.9
398.45453	1.3
415.23291	3.4
457.24463	2.3
481.20938	3.8
517.07831	4.2
517.31256	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	517.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	9.4
59.01386	100.0
69.68336	16.4
71.01402	30.0
73.02959	18.4
82.02998	10.3
85.02971	7.3
87.00872	25.3
89.02450	17.6
93.03465	26.7
98.21959	11.3
101.02470	14.7
109.02992	30.8
113.02472	13.1
116.92818	7.6
119.05029	18.5
128.03549	79.5
130.08746	13.1
131.03493	7.7
137.02451	10.3
149.06091	7.5
160.01697	9.8
161.04623	10.0
163.04016	17.4
164.04823	9.2
167.04604	14.4
177.05479	6.4
179.03502	12.7
179.07108	21.9
197.05701	19.8
197.13033	17.6
206.97995	5.6
213.02052	12.7
214.02771	11.9
220.41393	5.9
241.11932	40.7
253.04886	5.8
257.07928	9.2
263.03394	7.0
279.03033	25.1
281.04544	11.4
281.10330	17.2
295.05881	10.1
299.11105	6.7
309.63400	5.7
319.06067	15.0
334.04800	5.6
341.12280	8.0
347.98380	6.7
351.05133	53.9
363.05151	10.4
375.68127	6.6
431.15619	12.0
469.19543	6.0
473.09341	6.0
473.16321	8.6
481.80582	5.8
513.79761	6.4
517.07837	12.5
517.15546	13.7
517.22101	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33414	1.2
50.80096	1.3
55.45053	1.3
56.03684	1.4
59.01375	9.6
60.73528	1.3
69.57587	2.7
71.01395	8.3
72.82788	1.4
73.02935	2.8
74.02472	1.6
81.03408	1.3
85.02980	1.8
87.00884	100.0
89.02460	4.6
93.03466	86.3
94.03836	2.2
101.02452	7.0
109.02946	7.7
113.02448	1.9
121.02917	1.5
128.03522	4.7
131.03453	1.5
132.02144	2.6
134.03773	10.7
135.04491	3.1
137.02463	37.6
149.02477	2.4
149.06082	3.2
151.04034	10.8
160.01663	14.9
161.02441	1.7
163.04022	74.9
164.04352	2.0
165.07669	4.9
175.04004	22.3
177.05586	16.0
179.03516	26.8
193.05063	13.3
205.04932	1.9
214.02695	2.5
235.06160	2.9
277.04965	2.1
279.03046	3.9
281.04578	2.4
285.43924	1.5
295.05722	1.6
319.06104	3.2
337.09387	2.4
351.05151	12.6
429.14206	10.2
447.15118	3.4
473.08398	1.4
496.86270	1.7
517.09338	2.4
517.15564	68.0
518.15759	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	517.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	0.8
59.01384	16.1
67.79660	0.7
71.01387	10.1
71.40487	0.7
72.99314	0.8
73.02950	1.4
82.00616	1.2
83.01414	0.9
85.02966	3.7
87.00891	8.1
89.02452	6.3
95.01345	0.9
99.00903	1.6
101.02440	6.1
109.02956	0.8
110.42141	0.7
112.98831	3.2
113.02469	6.1
115.00393	1.0
116.92889	5.7
117.03482	2.7
119.03515	2.6
123.04586	0.8
125.02424	1.7
125.99599	11.5
132.02194	16.7
133.03009	3.7
134.03761	47.4
135.04521	3.0
137.02455	1.3
141.01968	1.0
143.03442	0.9
147.04544	4.1
148.05302	2.6
149.00977	1.1
149.06114	8.0
152.52071	0.8
158.03722	1.3
160.01683	75.1
161.02348	3.3
161.04576	5.1
167.03493	1.0
167.92302	0.8
173.06046	2.3
175.04021	100.0
176.04788	11.2
177.01923	3.6
177.05482	0.8
178.02782	4.9
179.03493	3.0
179.05647	6.6
191.07155	15.5
192.04289	1.3
193.05070	65.3
194.05411	1.1
196.95656	0.7
206.02409	0.7
207.06645	6.3
217.05003	1.3
220.03755	1.7
223.19566	0.8
230.00661	1.6
233.04419	1.0
235.06137	48.7
236.06522	2.4
257.08249	1.4
265.07193	10.6
295.08234	11.6
308.50446	0.7
337.09366	2.9
341.10696	2.1
351.05228	1.0
355.10428	4.7
385.09235	2.1
413.08688	0.7
438.04376	1.0
517.15674	66.9
518.15924	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	517.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01387	24.5
69.50334	1.1
69.50732	2.7
71.01390	3.3
72.99302	1.3
73.02950	1.5
85.02983	0.9
87.00865	1.3
88.95632	0.8
89.02440	0.9
99.04507	1.0
101.02448	2.8
113.02428	2.4
119.05081	0.8
123.04536	1.0
125.02538	0.9
132.02190	20.7
133.02951	2.9
134.03758	22.4
135.04544	10.7
137.02515	1.0
137.43829	0.9
145.02971	1.5
145.46475	0.8
146.03754	29.9
147.04553	2.5
149.06125	5.1
160.01680	82.7
161.02415	6.1
161.04773	1.6
161.06084	9.0
164.04805	21.0
164.06149	1.3
175.04022	100.0
176.04425	2.2
177.01944	2.6
178.02638	1.8
179.03493	2.4
179.07150	31.0
191.07054	1.3
191.70442	0.8
193.05063	20.7
193.06772	1.6
197.04530	1.2
214.56171	0.8
217.04977	2.4
219.04521	2.4
221.06178	1.3
235.03995	1.6
235.06171	2.3
237.05609	3.3
247.03972	1.3
248.04828	2.4
251.03522	3.2
263.03439	1.6
264.04279	9.1
265.05045	7.1
291.03006	3.2
292.03378	1.1
293.04584	23.8
294.01645	1.2
294.04968	1.8
295.02228	1.2
302.94476	0.8
311.05289	0.9
319.02377	5.7
337.03522	41.3
337.09274	79.5
338.03879	3.6
338.09482	3.1
355.04477	0.9
415.23264	1.2
517.07776	10.7
517.17340	27.0
518.08344	1.1
518.17377	1.6
527.71503	1.0
529.38428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97651	0.7
55.01870	1.6
57.03447	4.4
58.00578	0.9
59.01384	100.0
69.19508	4.4
71.01386	56.2
71.01788	1.9
72.99338	0.9
73.02948	5.1
81.03471	1.8
83.01393	3.2
85.02959	44.4
87.00884	12.9
89.02454	35.1
89.03022	1.1
95.01402	14.7
97.02966	2.3
98.29556	0.8
99.00918	1.2
101.02444	20.0
103.04034	2.8
109.02966	5.4
113.02458	98.9
114.02797	1.7
119.03509	11.7
122.03712	1.2
123.04530	0.8
125.02449	1.5
125.99569	1.1
126.03281	1.1
127.04015	5.8
131.03540	1.7
134.03757	13.1
135.04530	1.3
137.06108	1.7
143.03519	6.3
149.06079	7.8
151.04047	0.8
152.04790	3.0
161.02478	1.1
161.04575	14.5
163.06165	2.1
167.07111	4.6
179.05667	1.6
259.13663	0.9
290.27988	0.9
301.10742	1.3
311.11447	3.1
329.12421	17.6
330.12692	1.1
386.77283	0.9
390.58435	0.8
397.22690	0.9
421.15363	0.8
457.17212	15.4
458.17477	1.4
458.66623	0.8
475.18237	88.7
476.18317	6.6
517.19189	6.9
517.30426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81730	0.6
55.01875	1.8
57.03460	5.0
58.00604	1.3
59.01385	100.0
67.81315	0.7
68.99823	0.6
69.03455	1.3
69.64545	2.0
69.64912	1.2
71.01387	57.8
72.99329	2.3
73.02960	5.4
81.03480	2.5
82.00623	1.0
83.01405	4.4
84.02167	1.1
85.02962	47.3
86.03267	0.6
87.00880	18.1
87.01382	1.2
89.02452	33.1
89.63893	0.6
95.01398	19.3
96.96012	0.8
97.02982	2.3
98.22565	1.3
99.00893	1.5
99.04533	1.9
101.02450	18.5
103.04037	2.3
107.43966	0.5
108.02161	0.7
109.02959	7.3
112.98819	2.5
113.02463	97.4
114.02771	1.4
119.03520	13.0
123.04542	1.2
125.02483	2.8
125.99606	10.7
126.03335	0.7
127.04025	9.7
131.03531	2.2
133.02982	1.8
134.03751	14.2
135.04572	5.0
136.01669	1.0
137.06129	1.8
143.03523	5.9
145.05112	0.9
146.03690	0.9
149.00996	1.0
149.02481	1.0
149.06104	8.9
150.03209	0.6
151.04031	1.5
152.04787	3.4
159.04529	0.9
160.01776	0.9
161.02538	3.1
161.04584	13.4
163.06187	2.2
167.07169	6.3
175.03906	0.8
176.30681	0.6
179.03513	1.3
179.05603	2.5
193.05171	0.9
218.02245	0.9
229.05125	0.9
230.00700	1.0
233.04533	1.2
251.18834	0.7
257.08246	1.4
267.06570	0.9
279.03085	0.9
293.04572	1.1
301.10901	0.9
311.11319	3.3
323.07803	1.3
329.12451	19.3
330.12997	0.9
341.10495	1.5
341.77341	0.8
385.09274	1.4
421.15106	1.3
430.03391	0.8
457.17227	21.6
458.17389	1.6
475.18253	89.2
476.18536	6.0
517.19678	8.2
518.19586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57612	1.1
55.01868	1.4
57.03435	5.4
58.00611	1.5
58.84210	1.1
59.01385	85.7
60.01712	1.4
60.70472	1.1
64.47318	1.2
66.13175	1.2
71.01389	53.5
72.19537	1.1
72.99323	2.8
73.02943	6.3
83.01395	4.0
85.02959	45.6
87.00887	9.7
89.01939	2.6
89.02454	33.5
95.01404	16.9
97.02940	2.2
98.21808	2.3
99.00878	1.6
101.02444	19.1
103.04011	1.9
106.73942	1.5
109.02936	4.9
113.02461	98.9
119.03510	12.1
122.03775	1.6
126.03264	1.5
127.04027	6.0
134.03778	11.9
135.04494	2.1
140.88429	1.4
143.03493	5.8
149.04948	1.6
149.06070	10.1
152.04778	3.6
161.04581	17.3
163.06210	3.1
166.06387	1.8
167.07129	3.9
181.08696	2.6
185.35239	1.2
263.12906	1.4
279.03116	3.0
293.04684	1.7
297.07739	1.5
311.11346	2.9
329.12460	17.0
330.12610	1.8
339.04886	1.9
343.13974	3.2
383.61093	1.3
419.36771	1.3
421.14688	1.5
457.17188	14.9
475.18240	100.0
476.18488	7.6
517.19635	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	518.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50637	1.5
58.25588	1.4
59.01380	5.3
61.98835	13.0
72.99314	74.4
97.06627	8.2
97.07159	1.4
121.02988	7.1
122.03835	2.0
123.04533	4.5
133.02966	25.8
134.03741	6.5
135.04547	14.8
137.02472	1.4
150.03323	1.6
161.02461	93.6
162.02786	2.1
173.06027	1.9
175.07600	3.4
176.04703	2.3
178.02783	7.2
179.03433	7.3
187.07661	24.3
188.08127	1.4
190.06369	7.5
201.09280	2.5
202.06407	4.0
205.08711	3.3
213.09120	3.4
215.07199	3.5
219.10274	17.2
221.11852	1.8
225.97026	1.6
231.10245	14.7
239.07036	1.5
257.08456	1.9
267.69479	1.6
275.09320	9.4
276.09464	1.9
293.10345	100.0
294.10645	3.6
311.00790	1.5
311.05591	2.6
321.04022	6.8
321.07428	1.9
339.05090	10.3
357.06143	15.0
372.02374	1.5
455.13522	35.3
456.14334	2.5
517.31104	1.9
518.32001	1.7
526.38977	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	518.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
59.01386	10.8
61.98838	22.8
66.24757	1.3
68.71857	1.1
69.06944	4.9
69.07359	3.0
71.01381	2.3
72.99316	33.0
73.02947	3.3
81.03473	1.1
85.02989	1.2
97.06587	2.4
99.04546	1.6
101.02466	3.5
106.54732	1.3
109.02966	5.9
113.02415	1.2
116.32975	1.3
121.02996	1.9
123.04532	2.6
133.02980	23.5
134.03751	4.7
135.04543	17.1
137.02510	1.3
145.02954	1.5
146.03705	3.5
149.02464	1.8
150.03235	6.8
151.03954	1.8
156.85938	1.3
159.04562	1.8
161.02463	100.0
162.03244	22.0
163.04016	1.6
172.05325	1.6
174.03238	3.8
175.04059	1.4
178.02705	2.9
179.03537	7.2
185.02515	1.6
187.03972	2.0
191.10783	1.6
193.05037	1.3
197.04553	1.9
201.09215	2.6
203.10771	4.2
205.08755	1.5
205.12386	1.2
213.09172	3.9
219.10268	16.1
231.10249	10.1
249.05621	2.4
249.11508	2.1
265.05051	1.7
267.06793	1.4
275.09265	3.3
277.05002	1.9
279.02988	3.5
293.04822	2.5
293.10349	59.5
293.13715	2.8
294.10196	1.5
295.06113	3.0
321.04099	19.7
339.05273	10.2
393.98047	1.4
455.13516	23.4
519.31610	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	518.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56780	1.2
57.03453	4.1
59.01390	10.6
61.98836	11.0
68.31441	1.2
69.71992	4.3
71.01382	1.6
72.99316	25.6
98.21965	2.5
99.04523	3.4
101.02476	1.3
109.02973	19.4
112.30899	1.1
113.04004	1.4
121.02988	1.4
123.04543	1.9
125.02401	1.8
128.72627	1.1
133.02974	12.2
134.03734	1.8
135.04532	13.8
136.05246	3.6
147.04535	1.6
148.05327	3.6
150.03201	1.6
151.61746	1.3
159.04463	3.0
161.02458	51.8
162.02853	2.6
175.04106	1.6
177.09152	1.2
179.03566	8.0
185.02449	14.3
186.03200	4.4
191.10794	11.8
193.06592	1.8
195.04599	1.5
197.04562	3.1
203.10814	7.8
213.09114	1.4
219.10333	6.0
220.05125	1.6
221.06088	3.1
223.03911	1.2
231.10252	3.2
235.04213	1.2
239.07121	1.3
247.03944	2.9
247.09648	1.7
248.04825	2.4
249.05687	7.3
251.03517	6.2
252.04324	2.7
265.05014	7.1
267.06738	3.9
275.09372	4.6
276.04251	2.8
277.05093	12.4
278.02283	1.4
279.03030	14.0
280.03839	3.2
292.03644	1.5
293.04901	10.0
293.10333	45.5
294.10690	1.9
295.06110	15.6
303.03015	3.5
321.04056	100.0
337.08774	1.5
339.05106	28.9
339.09250	1.4
357.05872	1.2
455.13458	10.5
474.96085	1.2
517.31110	1.5
518.19659	1.4
519.09027	6.0
519.78394	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	518.131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22311	2.0
53.05726	1.7
57.03447	3.2
59.01386	15.3
61.98830	17.1
67.82137	2.0
69.24384	12.6
70.41287	2.0
71.01344	2.5
72.83787	2.0
72.99313	32.8
91.86018	2.1
101.02383	2.5
109.02965	5.6
132.02281	2.4
133.02991	19.7
135.04561	20.4
136.05327	2.8
148.05293	4.5
151.04022	4.0
159.04439	2.3
161.02466	100.0
162.02795	4.8
162.06981	2.8
174.06836	2.5
178.02762	2.1
179.03499	10.3
185.02440	6.1
191.10785	19.3
203.10797	13.6
219.10240	8.6
231.10297	6.0
249.05556	4.3
265.05145	3.4
275.09232	8.4
279.03003	4.0
293.10339	74.6
294.10764	4.6
295.06018	3.0
321.04144	24.7
339.05090	7.1
455.13498	17.5
517.30237	2.5
542.16571	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	518.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
59.01386	10.8
61.98838	22.8
66.24757	1.3
68.71857	1.1
69.06944	4.9
69.07359	3.0
71.01381	2.3
72.99316	33.0
73.02947	3.3
81.03473	1.1
85.02989	1.2
97.06587	2.4
99.04546	1.6
101.02466	3.5
106.54732	1.3
109.02966	5.9
113.02415	1.2
116.32975	1.3
121.02996	1.9
123.04532	2.6
133.02980	23.5
134.03751	4.7
135.04543	17.1
137.02510	1.3
145.02954	1.5
146.03705	3.5
149.02464	1.8
150.03235	6.8
151.03954	1.8
156.85938	1.3
159.04562	1.8
161.02463	100.0
162.03244	22.0
163.04016	1.6
172.05325	1.6
174.03238	3.8
175.04059	1.4
178.02705	2.9
179.03537	7.2
185.02515	1.6
187.03972	2.0
191.10783	1.6
193.05037	1.3
197.04553	1.9
201.09215	2.6
203.10771	4.2
205.08755	1.5
205.12386	1.2
213.09172	3.9
219.10268	16.1
231.10249	10.1
249.05621	2.4
249.11508	2.1
265.05051	1.7
267.06793	1.4
275.09265	3.3
277.05002	1.9
279.02988	3.5
293.04822	2.5
293.10349	59.5
293.13715	2.8
294.10196	1.5
295.06113	3.0
321.04099	19.7
339.05273	10.2
393.98047	1.4
455.13516	23.4
519.31610	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	518.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86636	1.7
59.01396	2.5
61.98832	2.2
69.96944	4.9
71.16884	1.7
72.99303	8.1
97.49573	1.9
116.05087	2.5
127.68014	2.1
133.02979	29.8
135.04561	7.8
135.43600	1.7
146.04698	1.6
160.84190	2.7
161.02464	100.0
173.13000	1.7
178.05132	1.8
179.03500	4.4
252.06561	3.0
259.91498	2.2
282.07864	2.8
303.90179	1.8
321.03992	6.3
336.67389	1.8
354.60492	1.6
356.11362	11.9
378.48795	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	518.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94314	1.7
59.01387	52.0
61.98835	100.0
70.57954	2.5
71.01374	10.1
72.99297	3.7
73.02946	10.8
83.01381	6.4
85.02953	2.7
89.02444	4.0
101.02454	18.4
101.95678	1.9
106.03007	1.7
109.02961	16.3
113.02450	8.0
115.28581	1.7
119.03509	2.1
130.80617	1.7
133.02931	3.7
134.03734	6.7
135.04547	66.2
136.04871	25.8
137.09692	2.1
145.02933	2.5
149.04524	3.5
153.05571	2.6
160.01682	4.0
161.02473	17.4
161.04539	5.3
175.03981	5.4
179.02051	2.7
179.03517	40.4
180.03842	20.3
185.02432	7.2
186.03215	3.4
193.04980	2.5
197.04616	4.6
221.06342	2.9
221.75340	1.8
224.04575	1.8
225.05626	1.7
232.05284	1.8
237.05605	3.3
242.07472	1.6
248.04771	2.8
249.05576	6.4
251.03500	5.9
252.04092	1.7
265.04861	5.9
266.05740	1.9
267.06598	6.1
277.05145	9.2
279.02945	10.1
280.03680	3.1
293.04706	9.5
295.06152	13.2
311.05936	2.2
321.04059	68.4
323.07968	2.7
337.09253	6.3
338.09595	6.5
339.05121	43.4
340.05490	1.9
357.06094	3.9
412.50162	2.2
413.13498	1.7
434.87271	1.7
474.15021	4.0
518.14203	2.1
519.09271	13.4
519.17084	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	519.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20268	0.4
69.19899	0.7
69.20356	1.7
72.99300	2.2
81.03503	0.4
84.51105	0.4
90.51527	0.5
92.10709	0.3
95.95805	0.4
108.02164	0.9
109.02956	23.2
112.51086	0.4
113.03968	1.2
121.02974	0.5
123.04559	0.8
134.03770	0.8
135.04530	5.3
137.02356	0.5
141.03499	0.4
145.03009	0.7
147.04562	0.7
149.02400	0.6
157.02927	1.6
159.04543	1.0
173.02483	1.2
175.04005	1.0
179.03542	1.4
179.04996	0.5
184.01733	0.6
185.02444	13.9
186.03191	4.3
187.03926	0.5
193.06644	2.4
195.04494	0.9
197.04607	2.2
197.06108	0.7
201.01817	0.4
204.05760	0.8
205.06631	0.8
208.05240	0.6
209.06087	1.1
213.02132	0.5
219.04536	1.2
220.05247	1.5
221.06094	4.1
222.06679	0.5
223.04013	1.5
224.04771	1.2
225.05589	2.8
229.01334	1.0
232.05264	0.6
233.06029	0.6
236.04768	1.0
237.05533	2.2
239.07169	1.5
247.04060	2.0
248.04846	3.3
249.05586	8.7
250.02821	1.0
250.05840	0.7
251.03490	8.2
252.04301	2.5
260.04904	0.7
264.04300	1.8
265.05069	8.2
266.05710	1.7
267.06708	3.7
275.03522	1.2
276.04291	2.5
277.05060	10.8
278.05493	0.5
279.03009	14.6
280.03702	6.3
281.04309	0.5
292.03656	0.5
293.04584	10.2
294.05023	1.0
295.06146	13.2
296.06668	0.5
303.03046	2.6
321.04047	100.0
322.04361	6.2
339.05109	29.2
339.09390	0.8
340.05435	1.9
342.86594	0.5
519.09259	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	519.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69978	0.6
72.99309	2.8
107.01383	0.6
108.02197	0.7
109.02968	29.0
109.23956	0.4
110.03351	0.5
113.03992	1.5
121.02953	0.8
123.04539	1.3
134.03754	0.7
135.04538	7.7
136.63260	0.4
141.03487	0.5
145.02971	0.8
147.04523	1.1
149.02432	1.2
150.03185	0.4
157.02980	1.5
159.04532	1.1
160.01628	0.5
161.02405	0.5
162.78995	0.4
165.07173	0.5
173.02481	1.6
174.03242	0.5
175.03983	1.4
179.03517	1.6
184.01654	0.8
185.02458	19.5
186.03226	5.2
193.06557	2.4
195.04575	1.2
197.04599	1.6
197.06158	0.9
200.01190	0.4
201.01970	0.8
203.05162	0.5
204.05760	0.8
205.06514	0.4
208.05301	0.6
209.06128	2.3
211.07706	0.9
213.02036	0.6
213.05605	0.7
219.04501	1.7
220.05338	2.3
221.06096	6.1
222.03212	0.8
223.04068	2.4
224.04866	1.9
225.05583	3.6
231.04446	0.6
232.05327	1.6
233.05948	0.5
235.04054	0.9
236.04810	1.1
237.05617	2.8
238.06454	0.5
239.07227	2.2
247.04045	2.6
248.04822	4.3
249.03026	0.6
249.05573	11.8
250.02666	0.7
250.06300	0.8
251.03519	8.0
251.07143	0.5
252.04294	4.0
253.05037	1.0
260.04828	0.7
263.03580	0.9
264.04266	2.5
265.05081	12.7
266.05783	1.7
267.06674	5.3
275.03662	2.3
276.04224	2.8
277.05103	14.2
278.02203	0.9
278.05582	0.9
279.03027	20.9
280.03711	7.2
292.03799	0.9
293.04602	13.7
294.05161	0.7
295.06131	17.0
296.06528	0.6
303.03009	3.7
319.02515	0.4
321.04062	100.0
322.04453	5.6
339.05115	27.9
340.05469	1.8
519.09235	5.3
520.09589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69986	0.6
72.99318	2.3
94.08783	0.4
106.64241	0.3
107.01421	0.5
108.02184	0.7
109.02969	20.3
113.03992	0.9
117.03413	0.5
121.02956	0.8
123.04558	0.8
135.04544	4.7
145.03006	0.8
145.32382	0.4
147.04536	0.6
149.02460	0.9
157.02963	1.2
159.04498	0.9
161.02475	0.5
165.07115	0.4
173.02466	1.0
174.03067	0.5
175.04105	0.9
179.03583	1.0
184.01697	0.9
185.02457	12.6
185.04109	0.6
186.03217	4.1
193.06610	1.6
195.04430	0.4
195.56593	0.4
197.04556	2.0
204.05782	1.1
209.06102	1.5
211.07671	0.8
219.04536	1.2
220.05342	1.0
221.06068	4.3
223.04037	1.6
224.04817	1.4
225.05595	2.0
229.01503	0.9
231.04565	0.5
232.05302	1.3
235.04036	0.8
236.04703	0.7
237.05588	1.7
239.07147	1.4
247.04022	1.7
248.04756	2.4
249.05569	7.8
250.02713	0.8
250.06282	1.1
251.03479	5.5
252.04410	2.5
253.04855	0.4
260.04803	0.4
263.03610	0.8
264.04346	0.9
265.05057	7.8
266.05615	1.5
267.06653	3.3
275.03595	1.2
276.04312	2.3
277.05066	8.9
277.55371	0.4
278.05640	0.8
279.03018	14.3
280.03665	4.0
287.35831	0.4
291.03152	0.5
292.03622	0.8
293.04605	9.2
295.06140	13.5
296.06558	0.6
303.02939	1.9
304.03726	0.6
319.02469	0.6
321.04059	100.0
322.04434	7.1
339.05121	29.3
340.05508	2.0
519.09387	7.1
520.09705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32320	0.4
66.69542	0.3
72.99303	2.5
90.98310	0.4
107.88698	0.4
108.02177	0.8
109.02961	22.8
113.03970	1.3
123.04549	0.9
129.03488	0.5
134.03757	0.8
135.02748	0.5
135.04536	6.0
141.03474	0.5
145.02937	0.9
147.04538	1.4
149.02451	0.6
157.03003	1.4
159.04543	1.2
161.02461	0.6
165.07086	0.5
166.19702	0.4
173.02458	1.6
174.03241	0.4
175.04019	1.2
179.03516	1.3
179.04984	0.5
184.01610	0.7
185.02448	16.7
186.03235	4.5
187.03992	0.5
193.06628	2.7
195.04541	0.9
197.04579	1.9
197.06172	0.5
203.04973	0.5
204.05861	1.1
205.06573	0.6
207.04532	0.6
208.05397	0.8
209.06073	2.0
211.07642	0.8
211.55276	0.4
213.05679	0.6
219.04526	1.3
220.05243	1.9
221.06146	5.2
222.03110	0.5
223.04004	2.3
224.04861	1.1
225.05606	2.7
229.01544	0.7
232.05312	1.3
233.05960	0.6
234.84158	0.5
235.04022	1.1
236.04765	1.3
237.05537	2.5
239.07143	1.5
247.04079	2.6
248.04774	3.6
249.05566	9.5
250.02698	0.6
250.06294	1.0
251.03505	7.1
252.04396	2.8
253.05103	0.8
260.04709	0.9
263.03470	1.2
264.04202	1.9
265.05084	9.9
266.05698	1.6
267.06680	4.1
275.03552	1.2
276.04227	2.5
277.05087	12.4
278.02103	0.6
278.05646	0.6
279.03006	16.6
280.03790	5.6
292.03922	0.9
293.04596	13.0
294.05103	1.0
295.06134	14.8
303.03067	2.5
304.03662	0.5
321.04056	100.0
322.04468	5.5
339.05121	27.7
339.09357	0.9
340.05435	1.5
350.92294	0.4
487.74225	0.4
519.09375	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69083	0.9
55.72270	0.8
59.01380	1.0
63.23984	0.9
70.67751	1.3
72.99298	3.2
97.87163	0.9
105.03387	1.0
109.02963	20.3
121.02945	1.2
123.04494	1.5
133.02942	1.7
135.04552	9.3
157.02922	1.4
161.02477	3.4
172.87749	1.0
173.02483	1.2
175.04037	1.3
179.03500	3.3
185.02460	16.4
186.03165	3.5
193.06726	2.2
195.04553	1.4
197.04599	2.4
209.06113	1.7
219.04497	2.1
220.05302	1.7
221.06142	4.6
223.04196	1.1
225.05547	1.7
235.03923	1.4
237.05652	1.3
239.07188	1.5
247.04059	2.0
248.04735	2.4
249.05609	9.1
250.06340	1.0
251.03519	6.2
252.04231	2.4
263.03574	1.7
264.04138	1.3
265.05081	8.3
266.05698	1.6
267.06677	3.0
273.67880	1.1
275.03555	1.7
276.04358	1.7
277.05084	12.9
278.05698	1.9
279.03003	15.6
280.03745	4.7
293.04617	13.6
294.05081	1.1
295.06076	15.8
303.03040	2.4
311.05511	1.1
321.04053	100.0
322.04370	5.8
339.05096	32.0
340.05212	1.5
433.71167	1.4
519.09222	5.5
519.16791	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	519.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
63.17273	0.5
69.18688	3.5
71.05019	2.0
72.99306	2.2
75.90534	0.5
95.05077	0.7
105.03469	2.0
107.05048	1.9
109.02977	6.0
117.03491	1.5
119.05034	1.9
121.02963	2.7
123.04549	0.8
132.02229	0.8
133.02974	16.0
134.03772	13.2
135.04541	86.1
135.32950	0.6
136.04858	2.0
137.02452	1.1
139.04059	0.7
147.00815	0.6
148.01665	1.4
149.02408	0.8
151.03987	0.8
160.01695	2.0
161.02457	100.0
162.02736	2.8
163.03993	1.6
173.59132	0.6
175.00383	1.8
176.01161	2.4
177.01939	3.6
178.02702	5.1
179.03511	9.3
185.02457	3.0
186.03244	0.9
189.01884	0.6
197.04576	1.1
221.06110	1.5
224.04744	0.6
239.07254	1.2
246.97972	0.6
248.04756	0.8
249.05585	2.2
251.03537	1.6
252.04089	0.7
265.05008	2.5
267.06741	1.4
277.05145	2.9
279.02979	3.5
280.03638	0.9
293.04608	1.9
295.06067	3.4
303.03009	1.2
311.05734	0.6
321.04065	23.4
322.04422	1.5
327.12479	1.1
339.05112	84.8
340.05426	4.5
353.25000	0.7
357.06305	3.4
357.13422	0.9
358.09485	0.6
371.26089	2.4
373.27512	1.1
385.27567	1.8
405.26447	6.1
430.51324	0.6
519.09369	26.1
519.33228	7.3
520.09619	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	519.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44157	0.6
57.03448	1.8
59.01378	2.9
65.98766	0.7
72.99318	4.2
96.96098	0.7
99.04536	1.5
99.18563	0.7
109.02963	22.8
113.04032	0.8
121.02990	0.8
123.04524	1.7
132.91902	0.8
133.02983	1.3
134.03714	0.8
135.04558	8.4
145.02873	1.4
146.38394	0.7
147.04555	1.1
149.02483	0.9
151.04065	1.1
157.03081	0.8
159.04509	0.9
161.02460	7.1
173.02333	1.0
175.04050	1.6
179.03488	2.3
179.04892	0.7
185.02455	13.5
186.03220	4.1
193.06621	1.4
195.04492	1.1
197.04573	2.9
197.06122	0.9
205.06427	0.9
211.07733	0.8
213.01891	0.8
219.04681	1.1
220.05383	1.1
221.06068	4.3
223.03925	1.1
225.05591	2.1
232.05333	0.9
235.04126	0.8
236.04822	1.3
237.05576	2.8
239.07159	1.3
247.03999	1.9
248.04810	2.0
249.05615	8.9
250.02921	0.8
250.06203	1.6
251.03534	6.4
252.04300	1.9
253.01659	0.8
253.04942	1.0
253.12280	1.0
263.03436	1.2
264.04279	1.8
265.05032	8.2
266.05719	2.1
267.06683	8.2
275.03479	0.8
276.04346	2.1
277.05038	13.4
279.03033	14.8
280.03671	4.9
283.06415	0.8
293.04535	10.6
295.06113	12.8
303.03012	2.7
311.05719	2.0
313.14371	3.4
315.16092	1.2
321.04059	100.0
322.04346	5.6
339.05115	27.1
340.05417	1.4
357.06250	7.5
519.09601	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	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.1
65.28841	2.6
70.75586	3.7
72.99324	26.7
84.99323	4.2
87.00891	23.7
93.58809	2.9
109.02971	8.6
111.00835	3.0
112.98067	5.5
112.98830	84.4
116.83113	2.9
117.03452	3.8
123.04507	2.6
130.99887	3.3
132.26938	2.8
133.02988	5.6
134.03757	100.0
135.04617	19.3
136.01686	33.8
136.05316	6.9
147.04550	3.8
149.00960	3.3
149.06111	19.2
150.03239	7.4
151.04025	50.9
154.99944	2.9
159.04530	4.3
160.01735	14.3
161.02438	18.2
162.03256	18.8
162.89664	2.7
165.05580	6.9
175.04004	20.7
176.04628	4.4
177.05586	8.2
178.02737	14.8
179.03523	4.4
185.02461	3.2
186.03189	4.8
190.02719	11.9
191.07161	8.2
191.41867	2.9
193.03299	4.4
193.05083	61.1
193.06749	5.1
195.72018	2.8
201.05623	3.0
202.02725	6.7
205.05099	13.8
207.06705	7.1
211.06129	55.3
230.02188	6.0
233.04553	74.5
235.06158	5.3
245.04626	7.3
249.05598	4.8
251.05611	10.8
263.05676	4.0
267.06546	5.2
273.62012	2.7
277.04959	6.6
279.03015	4.3
289.03577	5.0
293.04669	4.2
295.06122	12.8
307.01089	5.5
307.04620	96.0
321.04114	25.4
339.05124	36.5
343.06888	3.2
376.58237	3.3
387.10907	4.9
470.13171	2.9
519.09149	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	519.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07227	2.4
50.99757	2.1
55.82898	2.0
59.01394	18.9
59.73827	2.1
61.33089	2.2
61.98832	3.2
68.99847	2.8
69.28295	3.4
69.28582	12.0
71.01374	6.9
72.99318	24.8
73.02962	5.0
75.43434	2.0
75.50753	2.0
84.99314	5.0
85.02980	3.5
87.00895	12.7
88.98808	2.6
89.02464	4.2
98.22633	4.0
101.02446	7.7
108.02205	2.0
109.02956	3.5
111.00910	3.7
112.98824	76.1
117.03510	3.8
117.29924	2.0
132.02173	9.0
132.39342	2.4
133.02971	2.9
134.03760	89.7
135.04507	9.9
136.01677	57.1
136.36427	2.4
137.02509	2.6
147.04510	3.0
148.05292	2.6
149.06093	19.8
151.04021	60.4
158.03731	3.4
159.04448	3.4
160.00429	4.1
160.01678	50.6
161.02496	16.0
162.03201	19.1
163.04048	3.4
169.60080	2.1
175.04007	58.6
176.04700	10.9
176.22893	2.4
177.05562	7.3
178.02733	16.4
179.03477	4.5
190.02721	14.9
191.07123	15.8
193.03300	3.9
193.05074	80.6
202.02773	4.9
205.05009	12.4
207.06625	6.2
211.06107	21.1
218.02271	5.2
219.06503	4.5
230.02174	6.6
233.04550	63.6
235.06160	18.3
245.04578	5.5
251.05627	6.4
263.05768	2.8
265.07242	2.8
289.03604	5.2
307.04608	100.0
308.04919	2.8
312.74356	2.6
321.04077	5.9
325.11481	3.6
339.05139	10.1
519.17242	39.0
520.17505	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	519.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46606	0.9
52.11882	0.9
58.29689	1.0
59.01382	18.6
61.98830	2.7
62.09156	0.9
62.73497	1.0
71.01385	12.1
71.40253	1.3
72.99323	5.8
73.02957	2.1
83.01380	1.2
85.02962	2.7
87.00875	0.9
89.02464	7.5
93.03474	2.6
96.96034	11.8
101.02450	10.2
108.02193	1.4
109.02972	17.9
111.00834	1.1
113.02476	4.0
113.03952	1.1
116.92855	1.6
117.03485	3.2
119.03532	3.3
121.02971	6.7
123.04532	4.8
132.02205	14.9
133.02995	4.8
134.03755	50.5
135.04553	21.2
137.02443	2.5
145.03011	2.4
147.04539	3.7
149.06133	8.1
151.04019	1.7
157.03029	1.1
158.03796	1.4
159.04530	2.7
160.01675	71.2
161.02483	8.0
161.04597	1.1
163.06165	3.1
165.02045	1.5
173.02412	1.5
173.06018	1.6
175.04022	81.8
176.04755	8.2
177.01894	2.7
177.05481	1.1
178.02672	4.6
178.99791	1.0
179.03525	6.2
181.07254	5.2
185.02464	9.7
186.03230	3.3
187.03999	1.1
189.02145	1.0
191.05391	1.3
191.07141	12.3
192.04318	1.2
193.05075	79.7
193.06438	3.1
194.05406	1.2
195.08098	2.2
197.04539	5.3
204.05833	1.6
205.06853	1.9
206.07442	1.0
207.04848	1.1
207.06625	3.9
208.05305	1.4
209.06081	6.3
211.07703	2.5
211.22449	0.9
219.04581	2.5
220.05431	1.9
221.06099	7.4
222.06853	1.8
223.04118	1.5
223.07652	3.5
224.04842	2.4
225.05618	3.3
232.05270	1.8
233.06122	3.0
234.06857	2.7
235.06126	27.5
237.05530	5.1
238.06204	1.4
239.07170	4.3
247.04041	3.1
248.04893	4.7
249.05586	12.5
250.02846	1.0
250.06342	5.3
251.03510	3.1
251.07172	10.1
252.04262	2.4
253.04855	2.7
255.06676	2.4
264.04315	2.8
265.04834	9.5
265.07626	4.9
266.05658	1.5
267.06674	10.0
275.03433	1.5
276.04337	2.1
277.05087	23.1
278.05469	2.3
279.02991	8.4
280.03882	3.5
293.04572	13.5
294.05109	1.4
295.05835	21.2
296.06430	1.5
303.02982	1.4
311.05685	4.7
321.04071	65.4
322.04398	4.5
325.11496	3.9
337.09326	2.3
339.05112	100.0
340.05453	6.7
343.12601	2.3
355.10272	2.4
359.66394	1.1
444.00336	1.0
447.32339	1.0
464.46179	1.2
508.96988	0.9
519.09454	15.2
519.17303	68.3
520.10217	1.9
520.17548	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	519.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46606	0.9
52.11882	0.9
58.29689	1.0
59.01382	18.6
61.98830	2.7
62.09156	0.9
62.73497	1.0
71.01385	12.1
71.40253	1.3
72.99323	5.8
73.02957	2.1
83.01380	1.2
85.02962	2.7
87.00875	0.9
89.02464	7.5
93.03474	2.6
96.96034	11.8
101.02450	10.2
108.02193	1.4
109.02972	17.9
111.00834	1.1
113.02476	4.0
113.03952	1.1
116.92855	1.6
117.03485	3.2
119.03532	3.3
121.02971	6.7
123.04532	4.8
132.02205	14.9
133.02995	4.8
134.03755	50.5
135.04553	21.2
137.02443	2.5
145.03011	2.4
147.04539	3.7
149.06133	8.1
151.04019	1.7
157.03029	1.1
158.03796	1.4
159.04530	2.7
160.01675	71.2
161.02483	8.0
161.04597	1.1
163.06165	3.1
165.02045	1.5
173.02412	1.5
173.06018	1.6
175.04022	81.8
176.04755	8.2
177.01894	2.7
177.05481	1.1
178.02672	4.6
178.99791	1.0
179.03525	6.2
181.07254	5.2
185.02464	9.7
186.03230	3.3
187.03999	1.1
189.02145	1.0
191.05391	1.3
191.07141	12.3
192.04318	1.2
193.05075	79.7
193.06438	3.1
194.05406	1.2
195.08098	2.2
197.04539	5.3
204.05833	1.6
205.06853	1.9
206.07442	1.0
207.04848	1.1
207.06625	3.9
208.05305	1.4
209.06081	6.3
211.07703	2.5
211.22449	0.9
219.04581	2.5
220.05431	1.9
221.06099	7.4
222.06853	1.8
223.04118	1.5
223.07652	3.5
224.04842	2.4
225.05618	3.3
232.05270	1.8
233.06122	3.0
234.06857	2.7
235.06126	27.5
237.05530	5.1
238.06204	1.4
239.07170	4.3
247.04041	3.1
248.04893	4.7
249.05586	12.5
250.02846	1.0
250.06342	5.3
251.03510	3.1
251.07172	10.1
252.04262	2.4
253.04855	2.7
255.06676	2.4
264.04315	2.8
265.04834	9.5
265.07626	4.9
266.05658	1.5
267.06674	10.0
275.03433	1.5
276.04337	2.1
277.05087	23.1
278.05469	2.3
279.02991	8.4
280.03882	3.5
293.04572	13.5
294.05109	1.4
295.05835	21.2
296.06430	1.5
303.02982	1.4
311.05685	4.7
321.04071	65.4
322.04398	4.5
325.11496	3.9
337.09326	2.3
339.05112	100.0
340.05453	6.7
343.12601	2.3
355.10272	2.4
359.66394	1.1
444.00336	1.0
447.32339	1.0
464.46179	1.2
508.96988	0.9
519.09454	15.2
519.17303	68.3
520.10217	1.9
520.17548	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	519.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	73.4
59.01382	14.2
61.98820	1.4
66.61533	1.2
71.05025	1.2
72.99311	4.8
73.02950	3.7
78.95177	1.2
84.02168	3.5
84.66363	1.1
85.02967	3.0
92.23310	1.3
94.29625	1.2
99.04532	52.6
101.02455	10.9
108.02202	3.5
109.02953	7.9
109.06588	1.6
117.03484	1.2
121.02977	4.9
123.04501	3.4
125.02482	10.5
132.02164	3.2
133.02979	7.9
134.03745	5.6
135.04549	18.3
136.01634	1.6
137.06087	8.2
146.03781	1.9
149.02423	1.5
149.06087	1.9
151.04042	3.6
153.05647	1.4
158.03743	2.9
159.04539	3.3
160.01656	8.7
161.02458	32.5
161.04532	1.4
173.06003	2.6
174.03183	1.7
175.04039	15.5
176.01215	1.9
176.04828	14.9
178.02718	1.1
179.03500	4.5
181.05058	17.8
185.02576	2.1
191.07170	20.6
193.05067	4.1
195.08224	3.5
209.08211	4.7
211.07648	1.4
221.06108	3.5
222.06795	1.5
223.07637	3.5
224.04755	1.5
225.05626	1.3
237.05525	2.2
239.07153	4.9
249.05566	5.6
250.06354	1.8
251.07162	4.5
252.04079	1.5
265.05069	3.4
267.06613	10.6
271.05569	1.7
277.05099	3.8
279.03027	3.4
293.04623	4.9
295.06146	13.9
311.05634	7.2
321.04074	23.7
327.12387	10.3
331.23193	1.5
337.09259	10.0
339.05112	100.0
340.05469	5.6
343.10632	6.6
345.13480	18.5
357.06360	21.5
357.13440	31.2
358.13748	1.6
375.14673	9.7
417.15579	2.2
453.70242	1.4
519.09363	23.8
519.18011	6.1
519.33319	76.4
520.09930	2.4
520.33636	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	519.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22172	0.9
52.44402	0.9
57.03455	100.0
58.23740	1.0
59.01385	26.0
69.15965	3.4
69.16368	1.6
71.01389	1.3
72.99313	3.3
96.22493	1.0
99.04533	33.4
101.02456	24.9
108.02209	0.9
109.02962	8.2
109.06608	0.9
121.02963	4.1
122.03742	3.5
123.04525	1.8
125.02485	1.5
132.02130	1.6
133.02982	7.3
134.03711	3.4
135.04541	14.0
137.02411	1.3
137.06104	3.1
149.02444	7.4
149.06029	1.0
150.03242	22.2
151.04002	3.9
159.04601	1.1
160.01671	4.2
161.02460	25.5
161.04539	1.2
162.02896	1.4
164.04776	1.8
165.05589	24.0
175.04054	8.1
177.01952	1.7
179.03464	4.6
179.07173	2.3
179.89438	1.0
180.04225	2.0
181.05074	9.9
185.02452	5.2
195.06627	18.2
221.06102	2.6
239.07179	1.1
248.04782	1.3
249.05478	2.6
251.03479	2.7
252.04080	0.9
265.05109	2.9
267.06653	1.9
277.04993	3.3
279.02985	4.9
280.03528	2.6
283.06113	1.3
293.04678	4.8
295.06088	6.9
311.05594	1.8
312.09897	1.4
321.04062	33.1
322.04315	1.8
327.12396	9.4
337.09314	5.7
339.05130	17.4
343.10345	1.8
357.06131	15.2
369.13541	8.7
375.14328	1.8
409.16571	17.1
519.09503	3.1
519.19537	4.7
519.31024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
59.01384	55.5
60.99313	3.1
61.86539	2.2
61.98839	2.2
69.34370	6.6
69.34779	4.2
71.01385	7.3
71.03180	1.8
71.05023	3.4
72.99316	9.3
73.02945	4.2
83.01437	2.4
83.05019	2.0
84.44898	1.9
85.02969	2.9
87.84660	1.7
88.94627	2.1
101.02448	4.1
109.02968	13.6
113.02464	4.2
117.25292	2.2
123.04493	2.3
129.64053	2.2
133.02975	14.5
134.03752	3.4
135.04539	26.0
139.09145	2.0
149.02431	2.6
161.02466	46.3
162.02904	3.6
179.03508	9.6
185.02541	5.3
221.06168	3.5
249.05563	3.9
251.03415	3.9
265.05167	5.2
267.06659	5.2
268.06213	2.1
269.06937	2.5
277.05066	8.9
279.02936	8.2
280.06113	2.1
293.04581	7.1
295.06277	11.7
303.03125	2.4
315.16199	3.8
321.00565	3.5
321.04102	58.1
339.05142	37.5
340.05539	3.1
357.06180	6.8
358.09372	15.0
375.20236	2.5
407.29742	2.6
439.23648	3.2
501.31912	2.7
519.10010	9.1
519.33295	100.0
520.33862	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	519.203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62992	1.5
60.32088	1.8
61.98845	1.8
63.50677	1.4
67.54127	1.5
68.10429	1.6
69.21505	9.0
69.41412	1.5
72.99294	3.3
73.64353	1.5
77.21928	1.8
88.69041	1.4
102.79418	1.4
109.02979	18.2
115.47352	1.7
128.30013	1.6
135.04541	6.2
149.02551	1.7
179.03522	2.0
185.02444	13.2
186.03256	3.7
197.04581	4.2
221.06084	4.3
223.04062	2.1
229.45532	1.7
232.05322	1.5
248.04849	2.0
249.05556	6.3
251.03613	5.3
252.04247	2.4
259.44305	1.5
262.41684	1.6
265.05008	9.4
266.06149	1.8
267.06573	3.4
277.05090	10.5
279.03024	13.5
280.03726	4.2
285.18500	1.9
293.04517	9.7
295.06143	14.2
297.18201	1.8
303.03055	2.8
315.19659	3.9
321.04065	86.4
322.04355	5.6
331.09772	2.1
339.05121	25.1
369.14966	4.3
401.17816	12.9
417.17026	5.0
428.16473	3.2
443.15030	5.9
444.16046	2.4
445.16586	4.9
446.25623	1.7
459.18167	2.2
461.12445	7.5
476.18387	36.2
477.18436	2.3
504.17966	100.0
505.18381	6.2
519.09204	4.3
519.20306	85.4
520.20490	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	519.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01911	1.3
57.03457	100.0
59.01387	81.4
70.54714	1.4
71.01389	3.7
72.99327	6.3
73.02959	1.2
75.67872	1.0
78.06702	1.0
80.33443	1.0
81.03456	2.6
83.01376	1.7
99.04533	76.7
101.02457	13.0
107.03756	1.5
109.02962	4.6
111.97421	1.1
111.99731	0.9
121.02979	2.1
122.06155	4.2
125.02464	29.1
133.02939	3.9
134.03822	1.4
135.04570	9.1
138.97273	0.9
143.03502	1.1
152.07220	9.1
160.01682	1.6
161.02460	30.0
161.04521	1.2
176.01160	2.1
178.02760	1.1
179.03487	2.8
185.02408	2.6
207.28038	0.9
226.63625	1.2
249.05592	1.7
251.03421	1.3
263.08478	1.5
264.09079	1.7
265.04984	1.4
273.97812	1.2
276.51248	1.2
277.05026	1.9
277.09927	1.1
278.10629	1.4
279.03018	2.3
279.11423	7.8
283.06204	1.5
289.16449	1.7
291.11319	1.9
293.04446	2.5
295.06314	2.0
311.05661	2.0
321.04071	15.5
322.04218	1.1
323.10663	1.3
339.05127	12.5
357.06189	31.2
377.36484	1.1
410.10001	1.0
444.19470	1.9
488.18344	10.1
519.09192	3.1
519.31616	4.4
520.20868	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	519.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.3
57.50471	0.3
59.01384	3.0
71.01410	1.0
72.99316	3.3
73.02975	0.9
81.03479	0.5
85.03006	0.4
86.65038	0.3
87.00880	0.4
93.03490	0.7
93.07141	1.3
96.96038	0.3
101.02449	0.6
107.01453	0.3
107.05054	0.5
108.02198	1.0
109.02963	20.7
110.03371	0.5
113.02479	0.4
113.04017	0.8
121.02989	0.8
121.06605	2.0
123.04552	1.3
128.73358	0.3
133.02969	1.8
134.03746	0.8
135.04547	9.4
135.08151	2.1
136.04944	0.4
137.02477	0.8
137.06102	0.4
141.03488	0.4
145.02991	0.4
147.04483	1.3
147.83722	0.3
149.02480	1.2
149.06093	13.9
150.06444	0.4
151.04048	0.6
157.02988	1.0
159.04536	1.1
160.01692	0.3
161.02466	5.5
163.07686	1.9
165.09181	0.3
173.02420	1.2
174.03268	0.3
175.04039	1.0
179.03552	2.5
179.05031	0.5
182.45354	0.3
184.01671	0.5
185.02449	14.7
186.03256	3.9
187.03825	0.3
189.05696	0.3
191.05103	0.2
191.07191	1.0
193.06586	1.6
195.04535	0.7
195.06635	0.3
196.05353	0.3
197.04590	2.0
197.06155	0.6
200.01115	0.3
201.01869	0.3
204.05795	0.4
205.06598	0.4
207.04565	0.3
208.05345	0.5
209.06157	1.7
211.07755	0.5
213.01926	0.4
213.05589	0.6
214.02597	0.5
219.04541	1.5
220.05339	1.5
221.06059	4.0
222.03242	0.3
222.06717	0.3
223.04037	1.1
223.07672	0.6
224.04767	1.2
225.05560	2.1
227.10777	0.4
228.11621	0.8
229.01515	0.6
229.12347	1.0
231.04477	0.6
232.05333	1.1
233.06110	0.4
235.03992	0.9
236.04840	0.8
237.05545	2.1
238.06302	0.4
239.07094	1.5
239.14526	0.3
240.11688	0.3
241.12320	0.4
241.16138	0.4
247.04004	1.8
248.04805	3.0
249.05582	8.5
250.02831	0.7
250.06155	1.4
251.03505	6.5
251.07262	0.3
251.10724	0.5
252.04236	2.7
252.11696	0.5
253.01419	0.6
253.04970	0.6
253.12196	0.3
256.11029	1.8
259.03989	0.4
260.04703	0.4
263.03543	1.2
264.04254	1.7
265.05069	9.4
266.05655	1.3
267.06702	3.7
267.14032	0.7
268.06839	0.3
269.12021	0.3
269.15390	0.4
271.13727	0.3
271.17203	0.4
275.03543	1.6
276.04279	2.1
277.05084	10.9
278.02216	0.9
278.05627	0.9
279.03009	16.6
280.03763	10.8
281.04330	1.0
285.14987	7.9
286.15518	0.4
292.03848	1.2
293.01212	0.4
293.01767	0.2
293.04581	10.5
294.05164	0.8
295.06140	13.0
296.06427	1.2
296.14429	0.3
297.15009	3.8
298.15308	0.4
299.12909	0.3
303.02911	2.4
304.03842	0.4
311.05722	0.4
313.14420	0.7
314.15228	2.2
315.16031	33.2
316.16309	1.9
319.02533	0.5
321.04053	100.0
322.04395	8.4
324.02780	0.7
327.16248	0.3
329.17664	1.4
339.05109	34.8
339.46851	0.3
340.05392	3.1
343.07074	0.4
357.17023	1.5
358.09335	2.2
430.64380	0.3
475.25427	0.7
519.09619	6.6
519.22351	9.3
519.31036	0.3
519.33002	0.5
520.09723	0.6
520.22552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85308	1.1
67.90618	1.1
69.75724	4.4
72.99326	3.6
79.22855	1.1
109.02964	22.3
120.37666	1.3
133.22705	1.2
135.04541	7.7
149.02495	2.8
156.72723	1.1
157.02884	1.2
173.02460	1.6
179.03537	1.7
180.18590	1.3
185.02443	16.4
186.03166	3.5
193.06696	1.5
196.82680	1.2
197.04541	2.2
209.06175	2.0
221.06129	4.3
223.04068	1.4
225.05576	1.5
237.05605	2.4
239.07132	2.5
247.03981	1.8
248.04744	1.7
249.05554	8.6
251.03506	6.5
252.04300	2.7
263.03470	1.5
264.04636	1.6
265.05222	9.3
267.06619	3.7
275.03595	2.3
276.04349	1.4
277.05084	11.7
277.21805	1.3
279.02985	15.6
280.03845	6.6
293.04614	13.2
295.06149	14.7
296.06485	1.4
303.02988	2.9
321.04068	100.0
322.04401	9.3
339.05121	31.2
340.05450	3.1
427.86478	1.4
469.51151	1.2
519.09381	7.4
519.17932	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	519.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
73.84070	20.6
98.22697	53.6
218.03836	27.5
292.34155	24.8
321.04037	100.0
339.05051	35.7
374.94083	29.4
508.59451	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2599
Annotation	2alpha-hydroxytaxusin
Peak:m/z	Relative Intensity
53.04657	0.5
53.43437	0.6
59.01377	4.0
80.62672	0.5
86.15133	0.6
90.58386	0.5
97.02953	0.8
109.02992	0.9
120.86839	0.6
135.04533	1.4
143.78551	0.6
161.02467	0.9
215.10872	0.7
217.12434	1.0
285.18790	0.9
299.16470	0.9
313.18207	5.0
314.18811	2.4
315.19666	100.0
316.20084	4.7
321.04114	3.3
459.23898	11.4
460.24524	0.9
477.25006	4.6
519.26086	17.8
519.33740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44494	0.2
55.09617	0.3
59.01396	1.3
93.36990	0.2
109.02943	0.3
135.04515	0.5
161.02473	0.4
179.03618	0.3
196.65370	0.2
215.10843	0.4
216.11584	0.9
217.12344	1.4
285.14996	0.7
295.06192	0.5
298.15720	0.4
299.16534	1.1
313.18167	0.9
314.18771	0.6
315.19675	100.0
316.20020	4.7
321.04138	1.8
339.05035	0.9
519.26074	22.3
520.26477	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	519.2604
Annotation	Ajubractin B
Peak:m/z	Relative Intensity
53.64959	0.8
58.42577	0.7
59.01389	17.0
62.16716	0.8
71.01391	3.7
72.99314	1.1
73.02962	5.7
83.01380	2.0
85.02982	2.1
89.02448	1.0
96.90486	0.8
101.02459	3.1
104.47584	0.7
109.02950	2.9
113.02432	1.2
117.32042	0.8
133.02980	1.4
135.04550	2.3
161.02444	2.8
179.03537	1.8
185.02423	0.9
214.09984	1.0
215.10820	3.5
249.05682	1.2
256.16122	0.8
265.05112	1.5
279.02966	1.2
281.15402	1.1
283.17050	2.9
295.05933	1.3
297.18610	13.3
298.19211	1.4
315.19699	16.5
321.04065	10.5
322.04410	1.2
327.38663	0.8
339.05264	4.1
357.20645	3.1
459.24002	13.3
460.24017	1.5
477.24991	30.5
478.25180	2.5
485.32968	1.4
519.26050	100.0
520.26221	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	519.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03008	0.1
57.57631	0.1
59.01380	1.3
61.98842	0.3
67.72522	0.1
70.65941	0.2
71.01390	0.3
71.91814	0.1
72.99315	0.3
73.94005	0.1
80.03819	0.1
86.91777	0.1
109.02944	0.2
112.33630	0.1
125.95565	0.1
130.93542	0.1
133.02971	0.3
135.04530	0.4
160.84239	0.2
161.02443	0.9
164.08412	0.2
170.21306	0.1
179.03537	0.3
214.09987	1.2
215.10800	0.5
227.10777	0.9
228.11534	0.6
237.96420	0.1
243.13977	0.3
259.16992	1.2
271.17053	0.2
281.15765	0.1
282.16183	0.5
283.17032	3.1
284.17487	0.2
297.18692	0.3
299.16528	0.6
300.17355	0.5
314.18909	0.5
315.19659	100.0
316.19998	5.1
321.04037	0.6
339.05276	0.2
459.23953	0.9
477.24707	0.7
519.26025	12.7
520.26520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78686	0.1
52.31280	0.1
55.35334	0.1
59.01384	4.1
70.53928	0.1
71.01396	0.3
73.02985	0.2
76.26030	0.1
85.02947	0.3
97.14500	0.2
108.75897	0.1
109.02946	0.2
133.02974	0.4
135.04544	0.3
151.07652	0.2
152.07153	0.2
160.84244	0.2
161.02457	0.9
164.08482	0.3
197.32932	0.1
201.09209	0.2
202.10066	0.3
214.09972	1.3
215.10718	0.5
216.17467	0.1
227.10777	1.6
228.11484	1.0
243.13855	0.4
259.17065	1.5
281.15631	0.2
282.16431	0.3
283.17062	3.2
284.17538	0.2
298.15720	0.7
299.16614	1.6
300.17252	0.7
313.08954	0.2
313.18097	0.2
314.18872	2.1
315.19662	100.0
316.20026	5.2
321.04111	0.5
339.05255	0.3
341.21246	0.2
351.53564	0.1
357.20728	0.2
398.85602	0.2
459.23703	0.3
477.24875	0.3
507.52896	0.2
519.26019	25.0
520.26257	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	519.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.5
59.01385	100.0
59.51456	0.5
61.98857	1.0
70.82896	0.5
71.01392	3.8
72.99340	0.8
73.02954	1.2
83.01409	0.6
85.02993	1.9
87.04552	0.5
89.02477	1.0
92.75195	0.5
96.96077	0.6
97.93887	0.5
99.00890	1.0
99.04558	1.7
101.02460	4.3
107.05100	0.6
109.02977	2.9
113.02447	4.2
121.02976	1.4
123.04565	0.7
133.02969	6.4
134.03778	1.7
135.03558	0.8
135.04529	12.6
136.04886	1.7
149.02402	0.6
150.03293	1.9
159.04631	0.7
160.01671	1.0
161.02467	15.4
161.04468	3.1
162.02817	4.6
163.03026	2.5
165.05589	2.7
175.04033	1.6
179.03581	3.7
180.03821	1.3
181.05185	1.3
185.02518	1.9
186.03267	0.8
193.05046	0.7
195.06645	1.8
197.04538	0.9
201.25926	0.5
221.06212	0.9
235.04243	0.6
236.04755	1.0
237.05865	0.7
249.05746	1.7
251.03532	1.0
263.03531	1.2
264.04297	2.3
265.05023	4.7
267.06525	1.0
275.03616	0.7
277.05203	2.0
279.03198	2.3
280.03802	0.8
291.03070	1.2
293.04645	1.6
295.06219	2.5
309.04156	2.4
321.04037	14.2
322.04614	1.1
337.09464	0.9
339.05124	9.9
339.09238	0.7
340.05640	0.8
357.06403	0.7
399.23911	11.3
400.24301	1.1
407.67731	0.6
417.25082	3.0
443.08002	0.9
459.26224	1.8
465.23334	0.6
519.08960	1.1
519.19141	3.9
519.32446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03447	1.6
58.27705	0.3
59.01384	37.6
60.01712	0.4
61.98832	0.5
69.03439	0.3
69.48975	1.2
71.01389	4.4
71.21264	0.3
72.99315	3.7
73.02952	2.2
81.03460	0.6
83.01404	1.5
85.02955	3.4
87.00893	0.7
89.02462	0.5
91.05491	0.4
95.01389	0.5
97.02952	0.6
98.22585	0.7
99.00874	0.7
101.02444	3.5
107.01422	0.3
108.02216	0.9
109.02963	21.8
110.03334	0.4
111.00898	0.7
112.01682	0.4
113.02434	2.1
113.03997	1.1
115.05560	0.5
117.03479	0.3
119.05019	0.5
121.02971	0.7
121.30045	0.3
123.04559	1.2
124.01756	0.3
125.02454	0.9
131.05046	0.3
132.02229	0.4
133.02974	3.0
133.48647	0.4
134.03751	1.7
135.04539	10.3
137.02498	0.4
141.12929	0.5
143.03499	0.9
143.10820	0.9
145.02974	0.7
147.04535	0.9
149.02435	0.8
151.04053	0.3
157.02951	1.1
159.02986	0.3
159.04538	1.0
160.01640	0.9
161.02463	7.4
161.04506	0.6
162.02794	0.8
163.04048	0.3
167.36507	0.4
171.13925	1.2
173.02461	1.1
175.04027	1.0
179.03522	3.3
180.05827	0.3
184.01663	0.7
185.02464	14.0
186.03224	4.1
193.06503	1.7
195.04482	0.5
196.05074	0.4
197.04575	2.5
197.06071	0.7
198.03323	0.3
204.05753	0.4
205.06599	0.5
207.04614	0.7
208.05322	0.5
209.05995	1.8
211.07635	0.5
213.01976	0.4
213.05553	0.4
219.04552	1.2
220.05305	1.4
221.06119	5.5
222.06566	0.5
223.03946	1.6
224.04767	1.3
225.05609	2.8
229.01440	0.7
231.04619	0.5
232.05296	1.2
233.06071	0.5
235.04024	0.9
236.04808	1.0
237.05608	2.3
239.06976	1.5
247.03998	1.4
248.04813	3.9
249.05568	8.1
250.02708	1.0
250.06291	1.3
251.03488	5.4
251.06201	0.4
251.07187	0.5
252.04182	2.2
253.01651	0.4
253.05006	0.7
258.29846	0.3
260.04660	0.6
263.03452	1.0
264.04373	1.7
265.05075	8.0
265.07709	0.6
266.05685	1.7
267.06631	5.4
275.03568	1.4
276.04333	1.6
277.05084	11.8
278.02319	0.7
278.05630	1.0
279.02997	15.2
280.03717	5.8
281.04349	0.4
292.03827	0.7
293.01221	0.3
293.04590	11.3
294.05130	0.9
294.10721	0.7
295.06165	14.8
296.06445	0.7
303.03018	3.0
304.03745	0.4
307.04620	0.3
311.05661	2.5
313.24078	0.4
315.25391	3.2
319.02594	0.6
321.04059	100.0
322.04361	7.2
339.05112	33.3
340.05493	2.1
344.18195	0.5
357.06100	1.7
358.09488	0.5
362.19638	0.4
411.27219	0.4
429.28601	0.7
436.37665	0.3
459.29681	20.3
460.29977	1.3
477.30731	8.5
501.30771	0.5
516.64728	0.4
519.09406	6.5
519.32739	2.9
520.10022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3332
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
57.03438	1.4
59.01395	3.6
60.26658	0.4
69.68388	1.7
71.01394	0.7
71.05023	1.3
72.99326	2.4
79.85132	0.4
81.25121	0.4
91.75266	0.4
98.22570	0.9
99.04527	1.1
101.02436	0.5
109.02970	1.0
115.59679	0.4
123.04636	0.5
133.02972	3.2
134.03751	0.6
135.04555	3.4
161.02449	11.2
176.01239	0.5
177.01900	0.5
178.02718	0.6
179.03548	1.9
265.05377	0.4
279.03198	0.6
283.06052	0.6
293.04251	0.5
295.06180	0.6
311.05603	0.7
321.04092	3.9
339.05127	4.0
340.05826	1.2
357.06183	7.6
357.26865	0.7
358.09351	1.4
377.28461	1.7
389.28702	0.6
391.30212	0.8
405.27921	0.5
407.29666	5.0
437.04230	0.5
451.28247	0.9
453.30042	0.6
459.31155	1.5
475.34158	0.7
501.32230	11.9
502.32660	0.8
502.75204	0.5
519.33301	100.0
520.33588	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	519.3342
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
52.65610	0.3
57.03440	0.5
59.01385	5.3
60.99324	2.8
68.74872	0.3
70.60262	0.5
71.01372	0.8
71.05017	3.6
72.99304	1.2
73.02959	1.4
84.32843	0.3
85.02937	0.4
85.59390	0.3
89.02456	0.4
93.61176	0.3
94.69530	0.3
101.02457	0.8
109.02968	1.8
123.04523	0.5
133.02986	1.7
135.04543	4.4
136.04915	0.5
149.02486	0.4
161.02455	7.5
179.03564	1.1
182.09233	0.4
185.02502	1.5
186.03081	0.4
197.04559	0.8
239.07141	0.4
249.05569	0.9
251.03561	0.6
253.05156	0.4
265.04941	0.7
267.06702	0.8
277.05063	1.3
279.02997	1.5
293.04556	1.5
295.06052	1.7
303.02670	0.4
315.15991	0.7
321.04065	11.0
322.04349	1.1
325.25461	0.5
339.05118	6.4
339.23154	0.6
340.05316	0.7
353.24985	1.7
357.06168	1.4
358.09433	2.1
371.26007	0.8
375.26480	0.5
377.28683	0.6
405.26520	0.6
407.29706	2.3
419.29614	0.7
425.30576	2.8
427.28558	1.0
437.30630	1.1
443.27588	0.8
459.30988	1.2
475.34094	1.9
501.32538	1.5
519.10138	1.7
519.33331	100.0
520.33655	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	519.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01387	30.1
69.10469	4.1
69.10872	1.2
71.01382	1.7
71.04655	1.3
71.05030	20.3
72.99315	5.5
73.02962	3.9
88.05669	1.0
88.98804	2.7
98.21873	1.2
101.02462	2.0
109.02960	4.0
113.02458	0.8
121.02921	1.6
130.79588	1.0
133.02968	3.2
134.03816	1.5
135.04578	9.7
151.04016	1.7
161.02470	19.9
176.01166	1.2
177.01906	1.0
178.02721	0.9
179.03481	2.0
185.02415	2.2
206.69260	0.8
217.61348	0.9
221.06139	1.0
232.05298	0.8
249.05496	2.0
251.03571	1.0
265.05060	1.6
266.05765	1.1
277.05130	1.0
279.02979	2.3
279.41397	0.8
293.04684	2.1
295.06122	2.9
309.04010	1.4
311.05771	1.1
321.04080	16.7
321.22205	0.9
322.04651	1.1
323.23724	1.4
335.23956	1.5
339.05103	10.7
339.23413	3.0
340.05151	1.1
340.08838	1.1
341.24918	1.8
345.22171	1.0
347.23837	2.6
353.24835	12.4
357.06195	17.5
358.09412	10.5
363.23489	0.9
365.24997	2.5
371.25955	32.0
372.26492	2.4
373.27502	9.3
374.28003	1.2
379.22522	1.4
385.27512	25.1
386.28012	1.8
387.25436	1.1
399.23843	1.1
405.26498	96.8
406.26859	6.2
417.26138	1.0
443.07785	0.9
457.33365	5.9
458.33524	1.2
489.19171	1.1
519.10583	2.0
519.33356	100.0
520.33685	8.3
533.45917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99860	0.6
54.95917	0.6
59.01380	2.7
69.06606	4.0
71.01391	0.9
72.99318	15.3
101.02426	0.8
109.02957	8.1
110.03316	1.4
115.44534	0.7
121.02978	3.5
122.03779	1.2
123.04545	1.6
132.02194	3.0
133.02974	35.6
134.03532	0.7
135.04546	21.9
136.04889	1.0
146.02490	1.7
147.03300	5.2
148.04068	2.2
153.12384	0.7
158.02539	2.0
159.03281	2.5
160.04076	1.9
161.02464	100.0
162.02806	3.0
174.05629	1.8
179.02251	0.9
179.03540	8.3
185.02463	3.5
186.03099	1.4
190.05162	1.0
197.04570	0.9
218.04597	3.4
221.05974	1.3
222.06396	0.9
224.04811	0.7
237.05530	1.1
238.06084	0.7
248.04689	0.7
249.05557	2.0
250.06062	1.9
251.03442	1.5
252.04048	1.6
252.06700	1.3
253.04976	0.7
253.07648	0.7
254.04636	1.3
255.05452	0.9
265.05035	1.0
266.05362	2.1
268.06461	3.2
269.06995	7.6
270.07660	1.2
277.04993	2.2
278.05405	2.8
279.02991	2.9
280.03381	4.9
280.06204	3.3
281.04102	1.2
281.06970	5.3
282.07693	3.2
284.09293	6.2
293.04575	1.8
294.04938	2.1
295.06076	2.2
296.06445	2.4
296.09344	1.6
297.06519	1.3
299.08051	1.8
304.03290	0.9
308.05624	1.4
312.08804	2.8
321.04077	13.9
322.04410	28.3
323.04572	1.3
325.06104	1.0
339.05096	5.6
340.04874	6.5
340.08469	3.7
343.07013	12.9
344.07336	0.9
358.09354	78.4
359.09647	3.7
475.25610	0.8
476.26080	1.4
520.11182	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	520.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70039	0.4
58.04440	0.4
59.01374	0.9
66.41631	0.5
69.46400	1.3
71.01396	0.5
72.99318	14.6
89.04001	0.5
105.03468	0.6
109.02952	1.4
121.02982	2.9
122.03790	0.8
123.04507	1.2
132.02226	1.8
133.02969	31.8
134.02478	0.6
135.04544	19.1
144.04630	0.5
145.99863	0.4
146.02499	1.4
147.03276	5.6
147.42047	0.5
148.04051	2.0
158.02510	1.8
159.03236	2.4
160.04056	2.4
161.02463	100.0
162.01671	0.4
162.02795	2.7
174.05687	2.2
179.02126	0.4
179.03535	6.0
186.02042	0.8
190.05148	1.1
191.30196	0.5
218.04556	3.6
221.79298	0.5
252.06761	1.1
254.04599	1.3
254.08241	0.5
264.06638	0.7
268.06100	2.4
269.06976	7.5
270.07617	1.1
280.06146	3.6
281.06949	5.4
282.07745	2.8
284.09293	4.9
296.09360	1.3
297.06622	1.0
299.07892	2.3
308.05728	1.8
312.08859	3.0
325.06021	0.9
326.06461	0.5
340.08337	5.7
343.07007	11.3
344.07312	0.7
358.09357	77.5
359.09753	4.9
520.12787	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	520.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01383	8.6
61.98837	1.1
72.99306	4.2
78.03951	0.8
80.05064	14.0
86.28291	0.9
99.04512	1.5
104.05073	4.9
106.06631	5.2
106.69582	0.9
107.03773	0.9
108.04573	2.9
108.08214	4.6
109.03011	1.0
120.04496	0.8
121.03036	0.9
121.05346	7.3
130.06639	2.2
132.02278	1.0
133.03000	8.0
134.03723	1.9
134.06154	11.4
135.04538	13.0
136.07697	82.8
137.02513	0.9
137.08037	1.9
145.70125	0.8
146.06125	3.5
147.03250	1.0
148.04050	4.3
150.09256	1.4
151.04062	0.9
152.07159	2.7
158.30957	0.9
160.04016	2.5
161.02475	23.5
162.02800	2.9
174.05600	2.9
179.01932	0.8
179.03450	5.8
180.06682	9.0
186.05632	1.2
188.07196	26.3
197.04590	2.0
211.08755	5.7
212.09497	0.9
223.12465	1.2
224.09575	1.6
225.10362	5.3
226.11060	3.6
227.11934	7.6
229.13429	5.7
235.08727	1.5
236.09554	1.1
237.10202	1.7
238.07489	2.6
239.11938	1.2
241.13368	1.4
248.09344	1.2
249.10388	0.9
251.08209	3.7
251.11948	3.4
252.09079	2.3
253.09883	13.3
254.10275	0.9
263.08295	1.4
264.09033	1.3
265.09875	3.6
266.10675	1.4
267.11349	5.1
269.07095	1.1
276.73724	1.1
277.09811	4.3
278.10550	1.6
279.07794	6.0
279.11383	7.3
292.08395	1.9
293.09381	5.0
294.10202	3.0
295.10895	34.2
297.12320	1.4
305.09409	1.3
307.10898	20.9
308.11322	1.3
309.12387	2.2
317.21188	3.2
321.08783	1.2
322.04279	2.9
339.05032	1.2
340.05423	3.3
358.09244	3.6
359.07852	1.5
374.18878	1.8
376.20337	1.5
400.16443	1.5
402.18158	3.0
416.19882	2.9
420.19302	1.5
442.17755	1.2
444.19330	100.0
445.19699	7.2
460.18668	1.8
470.16867	3.0
488.18344	85.1
489.18542	6.6
519.32422	1.3
520.20630	8.1
520.32458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60104	3.3
57.03451	14.0
59.01385	24.2
61.49880	2.8
70.49992	4.5
70.50310	3.2
72.99315	16.1
84.56840	2.2
91.35235	2.2
99.04523	8.2
101.02448	3.9
122.06121	3.9
123.04534	4.2
123.67937	2.2
132.02197	4.3
133.02032	3.6
133.02977	34.1
134.03755	10.6
134.06166	3.5
135.04549	52.2
136.04926	2.8
136.07704	8.5
140.46339	2.8
152.07162	6.2
161.01115	5.4
161.02464	100.0
162.02786	3.8
177.02026	3.2
179.03540	28.4
197.04619	10.0
214.02348	2.5
256.72226	2.6
267.06439	3.9
279.11435	8.5
321.04062	6.4
322.04404	5.6
340.05646	8.3
343.07031	5.0
345.15292	6.5
358.09671	15.5
359.07767	14.0
422.09155	2.7
444.18896	14.2
483.31464	2.9
488.18472	16.8
492.55798	2.6
520.20746	6.1
520.33472	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	520.3044
Annotation	Terpendole J
Peak:m/z	Relative Intensity
56.60998	1.2
70.23103	3.0
89.95606	1.2
95.54682	1.3
97.70767	1.2
111.69801	1.2
113.32619	1.4
160.84216	1.5
161.02383	1.3
168.68330	1.3
206.69867	1.4
388.48071	1.5
455.31708	20.8
520.30511	100.0
521.30774	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	520.3411
Annotation	CHEBI:131658
Peak:m/z	Relative Intensity
58.36743	0.9
61.23756	0.8
69.21228	4.3
70.62326	1.1
114.41042	0.9
129.53403	1.0
156.19786	0.9
232.17578	1.0
274.87741	0.9
313.90930	0.9
320.18604	1.1
322.04504	1.3
392.30524	1.0
455.35327	21.7
520.34143	100.0
521.34406	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	520.3411
Annotation	CHEBI:131658
Peak:m/z	Relative Intensity
50.54853	1.6
63.09890	1.8
64.50488	1.9
70.76319	2.2
81.55291	2.1
86.92870	1.8
97.32792	1.8
98.21874	3.1
105.82661	1.7
113.57471	1.9
115.11356	1.8
193.43739	1.8
234.59772	1.7
303.38885	1.9
455.35394	12.9
510.67584	2.1
520.34137	100.0
521.34253	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	521.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54599	1.2
56.42831	1.1
58.25283	1.2
59.01382	12.5
69.95708	3.8
69.96062	1.4
71.01382	5.1
72.99316	56.5
81.80687	1.7
89.02446	11.9
93.03492	8.5
102.74462	1.2
105.03458	2.0
108.02227	1.6
109.02971	13.0
110.04520	1.5
113.02480	3.0
117.03468	2.9
119.05026	10.7
120.24190	1.3
121.02975	19.5
123.04552	20.0
132.02182	4.4
133.02969	26.3
134.03743	5.5
135.04543	100.0
136.04877	5.4
145.02979	5.2
147.04533	9.7
149.04578	4.5
151.04019	4.1
156.82848	1.6
159.04482	6.7
160.01645	2.2
161.02464	76.8
162.02844	2.1
163.04034	6.9
173.01321	1.3
173.02498	12.3
179.03516	69.3
180.03932	3.2
181.05055	9.9
185.02339	6.3
186.03125	3.0
197.04570	68.8
198.04930	4.9
205.05090	6.6
206.17236	1.4
209.06062	1.9
221.06175	2.3
223.07539	2.4
225.05656	1.5
237.05679	2.1
239.07098	2.1
248.04753	1.6
249.05498	4.0
250.06090	2.6
251.07016	5.7
252.07362	2.1
253.08678	8.1
265.05078	1.8
266.05856	1.7
267.06580	4.7
268.06851	1.6
269.08298	7.9
277.05035	6.0
278.05399	3.1
279.06625	15.6
293.04739	2.0
294.05197	1.6
295.06128	71.4
296.06522	4.5
297.07529	3.6
313.07108	2.3
320.10706	1.4
321.04132	8.0
322.04422	5.2
323.04468	4.7
323.07758	10.1
339.05038	8.7
340.05487	6.5
341.05457	10.2
341.09210	1.5
357.06000	1.7
359.10083	61.5
360.10071	2.5
437.12793	1.4
461.19754	1.6
477.11749	1.7
521.12982	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	521.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00171	0.3
57.03446	0.8
59.01379	1.1
61.55920	0.3
69.20785	1.5
69.70182	0.3
72.99313	14.9
73.02922	0.4
73.81076	0.3
85.02954	0.4
90.98257	0.3
108.02173	1.2
109.02961	8.0
119.05054	1.2
123.04556	1.6
133.02959	1.9
134.03740	0.4
135.04541	7.2
137.06079	0.7
145.02968	0.7
149.02374	0.8
149.06094	4.0
149.30933	0.3
150.06496	0.4
151.04073	1.6
159.04472	0.8
161.02473	9.6
161.04715	0.5
161.06093	5.5
162.02902	0.9
163.04030	2.7
171.48033	0.4
175.04039	2.5
177.05539	1.8
179.03508	4.1
181.05084	0.4
181.40657	0.3
183.08092	0.4
187.03989	2.3
197.04576	2.1
203.03528	0.5
205.05080	5.0
215.07121	1.0
225.05553	2.4
227.07112	0.4
229.05061	0.4
230.59430	0.4
231.02982	1.8
232.55968	0.3
237.05576	0.6
239.07109	0.4
243.06636	13.4
244.06853	0.4
249.04033	0.6
255.06654	4.7
266.86746	0.3
267.06570	0.6
271.06143	3.2
273.07703	1.2
285.07703	3.8
297.07635	1.3
299.05615	8.6
313.07178	2.8
317.06693	7.3
323.05441	1.4
341.02545	0.5
341.06601	4.5
358.06262	0.4
359.07742	100.0
360.08026	6.1
412.25198	0.4
500.82663	0.4
521.10931	1.4
521.33154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57405	1.1
57.03454	1.3
59.01377	5.2
70.60321	2.6
71.01391	1.6
72.98906	1.9
72.99315	34.5
77.73184	1.0
81.03474	1.3
85.02953	1.3
91.05563	1.3
107.05043	2.8
108.02195	2.9
109.02964	66.1
117.03511	2.2
121.02988	2.3
123.04535	25.2
132.17395	1.3
133.02969	5.0
134.03743	5.2
135.04543	100.0
136.04852	3.3
137.02425	1.7
145.02959	24.2
146.03735	1.9
147.04527	1.4
149.02484	1.8
149.06142	2.5
151.04037	3.4
153.05577	15.2
159.04549	7.2
161.02469	32.8
161.06107	16.4
163.04005	6.8
164.04747	2.0
175.04095	1.7
177.05579	2.5
179.03513	37.1
185.02449	3.8
186.03191	5.4
186.50703	1.2
187.04034	35.5
188.04358	1.3
190.02779	6.8
197.04575	32.3
205.05052	9.3
207.02995	2.3
208.05414	1.3
210.06842	1.4
213.01921	11.4
214.02705	5.0
215.03276	1.2
225.05678	2.9
231.03052	4.6
237.05602	4.9
238.06244	2.3
239.03493	15.5
240.04218	2.8
241.04813	1.4
243.06580	3.6
251.03572	1.2
251.07066	1.7
253.05046	11.2
255.06728	9.5
271.06253	2.3
277.05142	3.3
279.03003	13.8
279.06439	4.2
280.03653	2.9
281.04565	63.0
282.05029	3.0
290.16379	1.3
294.05203	1.5
295.06021	3.6
296.06186	1.2
297.07635	14.2
299.05795	2.6
305.04904	1.9
321.03876	3.6
322.04376	3.1
323.05582	57.0
324.05869	4.4
339.05164	2.1
341.06668	38.7
352.65170	1.2
359.07733	88.0
360.08145	3.1
367.10437	12.0
481.85892	1.3
484.77344	1.3
518.62231	1.2
521.10858	16.4
522.11243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97832	1.5
57.03447	13.6
59.01384	6.7
69.26943	7.6
69.27343	3.3
71.01394	2.9
72.99315	71.7
82.24615	1.7
95.04994	2.0
99.04514	14.1
101.02482	3.0
104.12336	1.5
107.05051	3.2
109.02962	34.9
117.03495	2.6
117.14738	1.6
119.05021	2.2
121.02995	1.9
123.04543	18.6
125.02484	2.6
127.97074	1.6
133.03008	11.5
133.03835	2.4
134.03725	6.5
135.04539	97.7
136.04877	2.0
141.56822	1.9
145.02983	17.4
149.06097	2.2
150.03276	2.3
151.04054	4.9
159.04591	4.0
161.02472	43.0
161.04674	3.0
161.06085	11.9
163.03995	3.4
175.03984	3.0
176.64964	1.6
179.03522	64.2
185.02472	2.1
186.03227	2.4
187.04028	25.6
195.06645	4.6
197.04575	100.0
205.04996	5.1
213.02007	9.3
214.02692	5.7
216.48773	1.9
225.05511	4.4
231.03082	1.9
233.05994	1.8
237.05681	3.0
239.03566	10.2
240.04303	2.7
243.06670	5.6
251.07033	2.5
253.05095	11.7
255.06644	6.8
267.06558	2.3
271.06339	2.6
279.02979	12.4
279.06396	4.4
280.03754	2.6
281.04562	44.1
285.07581	3.1
287.09415	2.2
291.54465	1.7
295.06097	3.3
297.04416	3.2
297.07642	11.8
299.05649	4.9
300.05902	1.7
305.04620	12.6
317.06589	4.6
321.03818	2.4
322.04520	2.2
323.01706	3.1
323.05521	49.9
339.05154	2.7
340.05377	4.5
341.06665	36.9
359.09756	75.7
360.10507	3.5
377.15704	2.1
521.12457	34.9
521.33752	2.3
522.11731	2.8
549.92157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31004	0.2
59.01386	5.6
60.94715	0.2
61.98843	0.7
71.01392	1.2
71.42680	0.3
72.99316	11.8
73.02957	0.5
77.48727	0.2
85.02971	0.7
87.00901	0.3
89.04002	0.2
93.52493	0.2
95.01407	0.3
99.00909	0.3
101.02444	1.2
105.03431	0.5
107.05062	0.4
109.02977	1.2
110.03282	0.3
113.02477	0.6
117.03459	0.3
123.04537	4.8
132.02174	1.3
133.02974	22.9
134.03851	1.2
135.04547	21.2
136.04906	0.4
137.02505	0.2
137.96686	0.2
145.02982	0.5
149.02521	0.4
150.03236	0.3
151.04041	0.6
153.05539	0.4
161.02464	100.0
162.02812	3.9
173.02426	0.3
177.01982	0.3
179.03519	13.0
180.03827	0.4
185.02576	0.3
197.04573	15.8
198.04915	0.6
198.06654	0.3
223.02370	0.3
242.08293	0.5
267.06693	0.5
268.05783	0.2
285.20572	0.3
293.04678	0.3
295.06061	0.3
321.03979	0.3
322.04385	0.5
323.04926	1.3
326.04050	0.3
341.06549	1.0
358.09424	0.9
359.07700	33.3
360.07996	1.8
461.31073	0.9
478.60071	0.3
479.32864	0.3
520.32288	0.3
521.11133	0.4
521.24030	1.2
521.32574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97832	1.5
57.03447	13.6
59.01384	6.7
69.26943	7.6
69.27343	3.3
71.01394	2.9
72.99315	71.7
82.24615	1.7
95.04994	2.0
99.04514	14.1
101.02482	3.0
104.12336	1.5
107.05051	3.2
109.02962	34.9
117.03495	2.6
117.14738	1.6
119.05021	2.2
121.02995	1.9
123.04543	18.6
125.02484	2.6
127.97074	1.6
133.03008	11.5
133.03835	2.4
134.03725	6.5
135.04539	97.7
136.04877	2.0
141.56822	1.9
145.02983	17.4
149.06097	2.2
150.03276	2.3
151.04054	4.9
159.04591	4.0
161.02472	43.0
161.04674	3.0
161.06085	11.9
163.03995	3.4
175.03984	3.0
176.64964	1.6
179.03522	64.2
185.02472	2.1
186.03227	2.4
187.04028	25.6
195.06645	4.6
197.04575	100.0
205.04996	5.1
213.02007	9.3
214.02692	5.7
216.48773	1.9
225.05511	4.4
231.03082	1.9
233.05994	1.8
237.05681	3.0
239.03566	10.2
240.04303	2.7
243.06670	5.6
251.07033	2.5
253.05095	11.7
255.06644	6.8
267.06558	2.3
271.06339	2.6
279.02979	12.4
279.06396	4.4
280.03754	2.6
281.04562	44.1
285.07581	3.1
287.09415	2.2
291.54465	1.7
295.06097	3.3
297.04416	3.2
297.07642	11.8
299.05649	4.9
300.05902	1.7
305.04620	12.6
317.06589	4.6
321.03818	2.4
322.04520	2.2
323.01706	3.1
323.05521	49.9
339.05154	2.7
340.05377	4.5
341.06665	36.9
359.09756	75.7
360.10507	3.5
377.15704	2.1
521.12457	34.9
521.33752	2.3
522.11731	2.8
549.92157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37485	0.8
59.01364	1.1
59.85493	0.9
71.21178	1.1
72.99317	32.7
93.03468	1.1
105.03466	1.3
107.05043	1.1
109.02959	5.5
117.03515	1.5
119.05076	1.1
121.02969	1.4
121.06927	1.0
123.04545	13.3
125.02441	1.4
132.02216	3.0
133.02965	22.8
134.03755	2.1
135.04543	46.3
136.04883	3.0
138.78468	0.9
149.71510	1.1
159.04610	1.5
160.01642	5.3
161.02464	100.0
162.02818	3.1
168.95360	1.1
172.56291	1.0
179.03511	28.8
180.03978	1.6
185.02460	2.0
186.03003	1.6
197.04579	37.8
197.06406	1.8
198.04913	3.7
224.51099	1.2
225.05507	1.0
246.22838	1.1
267.06247	1.2
277.04968	1.6
279.03317	1.0
279.06583	2.9
295.06198	4.7
298.54715	1.0
321.04074	4.2
322.04440	3.2
323.04501	3.3
323.07764	34.0
324.08252	1.8
339.04941	3.0
340.05444	2.1
341.05554	2.3
341.09088	5.9
359.10349	37.4
360.10239	3.3
483.09372	1.9
521.13031	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	521.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88948	0.7
69.26528	1.7
69.26938	3.8
72.99315	40.4
73.01308	0.8
74.29050	0.8
98.22627	1.7
109.02960	2.1
117.03496	3.2
119.05030	4.0
123.04543	12.3
133.02972	2.9
135.04541	27.4
136.04887	0.8
145.02968	22.9
146.03377	1.0
151.04117	1.0
161.02458	10.8
161.06097	3.4
162.03238	5.5
163.04015	8.8
176.25262	0.9
177.05611	3.9
179.03511	33.5
180.03841	1.3
197.04568	74.4
198.04893	1.4
205.05083	4.4
235.06096	3.1
244.95793	0.9
265.07230	6.3
323.04514	1.2
359.09903	100.0
360.10172	4.3
361.07684	0.8
450.43423	0.8
503.15662	5.0
521.13025	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54221	0.5
59.63030	0.4
69.41039	2.4
69.70995	0.6
72.98901	0.8
72.99313	14.9
81.14661	0.6
98.60220	0.5
107.05061	1.5
109.03004	1.0
117.03477	0.5
123.04534	5.8
132.02205	0.7
133.02972	16.5
134.03793	4.3
135.04541	75.1
136.04877	1.9
145.02971	1.0
161.02464	100.0
162.02800	1.9
165.05365	0.5
179.03516	33.3
197.04567	24.0
204.20436	0.5
223.02477	0.7
223.92352	0.5
227.01366	0.5
307.08200	0.6
323.07736	2.6
341.08902	2.7
344.16791	0.5
348.53064	0.5
359.07547	48.3
360.07919	2.5
521.12738	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	521.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04033	0.4
53.25600	0.6
59.01385	0.5
70.52129	0.5
70.76728	0.6
71.01396	0.7
72.99316	10.7
91.05562	0.6
101.02431	0.7
107.05051	1.6
109.02970	0.9
117.03473	10.5
119.05038	5.7
122.03755	1.6
123.04544	4.3
133.02963	10.3
134.03761	6.2
135.04539	100.0
136.04846	2.4
145.02971	43.1
146.03317	0.6
150.03239	11.0
150.04382	1.0
153.44551	0.5
161.02455	56.8
162.02824	1.5
163.04008	5.1
165.05592	15.9
171.42775	0.6
179.03511	42.5
180.03862	1.4
197.04570	16.2
198.04869	0.6
202.50827	0.5
202.90175	0.5
307.08249	21.0
308.08661	0.7
323.07880	1.4
341.08777	6.5
359.07324	21.8
360.08133	1.4
393.64685	0.5
521.16504	6.9
522.17902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96665	0.8
59.01384	8.7
69.22598	5.1
71.01387	8.1
72.99298	1.0
73.02965	2.0
76.56860	1.0
77.49081	0.9
78.01125	1.7
83.61190	1.0
85.02962	2.9
87.00888	6.4
89.00342	2.3
89.02460	2.7
91.01912	1.9
96.96019	1.0
98.22628	1.7
99.00871	1.5
101.02438	5.5
106.00616	2.0
113.02466	4.1
116.66661	0.9
121.02964	39.9
122.03270	1.2
123.00900	3.8
123.04575	1.2
125.02475	2.0
127.00354	1.7
133.46584	1.1
135.04538	4.4
138.03246	5.5
139.03986	1.3
143.03493	2.3
147.00449	0.8
153.05582	33.6
154.05927	1.1
155.08325	1.2
161.04561	5.1
162.83990	1.4
166.63498	0.9
166.99844	1.6
179.03470	2.0
179.05659	3.3
181.01433	1.5
182.02238	9.0
196.03862	1.5
197.04565	100.0
198.04887	2.7
211.06216	1.1
224.03189	1.2
227.06786	2.7
239.05635	5.7
261.05560	2.8
269.06589	1.5
295.06262	1.3
299.07520	2.2
323.09799	3.5
329.15854	1.5
343.28284	1.1
372.42358	1.3
521.15149	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	521.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.0
69.81523	2.5
71.01388	10.0
71.44909	0.6
72.99319	2.0
73.02947	1.6
75.00882	0.7
78.01105	1.1
80.98797	0.7
83.01418	1.6
85.02943	2.1
87.00868	5.8
89.00306	1.5
89.02446	4.0
95.01393	1.0
96.95959	0.8
101.02453	4.0
106.00615	3.4
109.02959	2.1
111.00897	1.8
113.02480	4.4
121.02966	36.0
123.00919	5.2
127.00379	1.2
127.94543	0.8
133.02985	1.6
135.04539	8.1
137.02448	7.3
138.03276	5.4
139.00337	1.4
139.04021	2.4
141.01926	1.1
149.85760	0.8
153.02054	0.8
153.05597	29.1
154.05890	1.2
155.03519	1.5
161.02544	3.5
161.04552	1.9
166.99852	3.8
177.01973	0.7
179.03561	3.5
179.05692	0.7
181.01425	8.9
182.02234	11.7
183.02980	3.8
187.29356	0.7
196.03841	4.2
197.04572	100.0
198.04918	2.9
211.06026	4.0
224.03284	5.2
239.05621	26.8
240.06140	0.9
251.05713	0.7
269.06619	5.8
279.06638	1.2
295.06097	3.2
299.07764	11.3
303.63605	0.7
311.04138	1.2
326.06537	2.4
341.08859	7.2
359.10178	3.5
521.15173	29.2
521.22949	1.6
522.15625	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1667
Annotation	Albidoside
Peak:m/z	Relative Intensity
50.74290	0.6
59.93761	0.7
68.40460	0.6
69.11899	1.8
69.12321	2.6
70.45612	0.5
71.01370	0.9
72.99321	10.2
73.02199	0.6
93.03462	1.3
101.02425	0.8
107.05017	1.7
117.03482	26.5
119.05046	14.0
121.02932	1.1
121.33884	0.6
122.03767	4.4
123.04549	3.9
132.02182	0.7
133.02977	9.0
134.03752	7.1
135.04544	89.7
136.04857	2.9
145.02969	100.0
146.03323	2.0
150.03238	32.3
150.39436	0.6
151.03990	1.0
161.02463	54.1
162.02916	0.9
163.04028	11.3
165.05583	41.7
166.05974	1.0
179.03517	40.4
187.04114	1.1
197.04579	16.3
203.28952	0.6
213.07794	0.9
247.06082	1.7
307.08255	66.2
308.08762	3.2
323.08069	2.0
341.08911	7.0
359.08212	28.1
360.08139	0.9
521.17267	26.0
522.17529	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	521.1667
Annotation	Albidoside
Peak:m/z	Relative Intensity
57.79513	1.0
59.01378	4.1
60.90112	0.8
69.53049	3.6
71.01379	2.5
72.99315	51.2
73.99677	0.7
75.31808	0.7
78.69837	1.0
85.02960	0.9
87.40073	0.8
89.02466	0.9
98.21938	1.8
107.05028	1.4
107.38269	0.8
108.72862	0.9
109.02951	3.3
113.02444	1.2
117.03478	28.9
118.04323	1.4
119.05037	30.2
121.02973	1.7
122.03766	0.8
123.04543	16.7
131.20732	0.8
132.05832	2.2
133.02966	6.9
133.06596	6.0
134.03822	1.8
135.03510	1.8
135.04543	43.8
145.02969	100.0
146.03603	2.7
147.04536	5.5
149.02466	1.6
151.04005	1.5
160.01643	2.1
161.02469	29.4
161.06094	15.4
162.03255	21.6
163.04028	31.5
177.05573	11.9
178.94519	0.8
179.03510	40.8
180.04082	2.6
180.95943	0.8
187.04025	1.8
195.06686	1.2
197.04570	76.3
198.04877	1.0
205.05084	21.0
235.06134	9.4
265.07175	22.9
307.08316	1.6
317.52682	0.9
322.04446	1.0
323.04495	1.1
323.07843	3.5
325.09338	3.5
359.09897	67.8
360.10260	3.6
503.15677	22.3
504.15753	1.9
521.16608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76669	0.8
57.03452	100.0
58.03784	1.1
59.01389	9.2
65.19720	0.8
69.31926	4.2
71.01402	1.9
72.99321	3.8
73.02979	1.3
81.03463	2.3
85.02980	1.1
89.02451	1.7
89.55068	0.8
93.03475	1.9
93.23492	0.8
98.22701	1.4
99.04531	10.8
101.02454	32.2
107.05043	1.1
109.02978	2.0
113.71078	0.9
119.05060	2.8
121.02962	3.6
122.03736	7.8
123.04534	1.8
125.02458	1.5
128.99228	1.5
132.92174	0.8
133.02983	3.4
134.03790	1.8
135.04536	26.0
136.04828	1.2
137.02437	1.2
149.02454	11.8
150.03241	47.8
151.03932	2.8
152.50998	0.8
152.53696	0.8
161.02444	11.5
161.04530	1.6
163.04073	1.8
164.04851	2.2
165.05585	63.5
166.06020	1.8
179.03551	6.3
179.07126	1.1
180.04256	3.7
181.05072	1.1
195.06636	46.9
196.07002	1.2
197.04594	3.0
208.07428	3.3
223.07576	1.2
223.09804	2.2
263.12903	2.5
314.11398	1.1
321.04123	2.0
322.04398	2.2
323.04681	2.3
329.13843	6.5
339.04764	1.0
341.01508	0.9
341.06384	3.3
356.12506	0.9
359.07452	4.6
359.14987	1.1
359.28104	1.4
371.15005	4.0
377.16089	3.0
396.15726	1.3
401.16144	1.1
411.18005	7.0
441.19608	1.3
455.83185	0.9
459.20343	1.5
495.68878	1.0
521.11493	2.4
521.20337	8.0
521.33112	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39409	0.5
58.07165	0.4
59.01376	1.8
60.32799	0.4
71.01386	1.3
72.99306	2.2
81.40891	0.4
85.02965	0.9
87.00883	26.8
93.03467	81.9
94.03761	1.1
96.96004	0.8
101.02500	0.6
107.05108	0.5
108.02182	1.5
109.02975	5.7
119.05041	0.8
121.02956	0.5
123.04517	1.5
133.02922	2.2
133.93571	0.4
134.03551	0.5
135.04536	5.4
137.02455	100.0
138.02795	2.3
138.80608	0.4
145.02933	0.6
151.04042	1.0
152.01170	1.1
158.03749	0.5
161.02455	9.8
162.02786	1.2
163.04022	42.3
164.04321	0.8
168.17717	0.4
179.03491	2.5
181.05141	0.7
185.02475	1.4
186.02853	1.0
197.04559	1.8
207.02979	0.9
219.04671	0.6
221.04495	1.0
224.04747	0.5
235.03920	0.7
248.04733	0.6
251.03545	0.5
252.04050	0.8
263.03589	0.5
265.05075	0.9
267.05914	0.8
277.04965	0.7
278.05353	0.6
279.02859	0.6
279.05743	0.8
280.03586	1.3
281.03796	0.9
293.04703	0.7
294.05099	0.8
295.05917	1.4
296.06635	0.8
297.06891	1.0
321.04034	3.9
322.04379	3.7
323.04846	6.3
326.04337	1.0
339.05020	1.1
340.05261	0.6
341.06314	2.6
356.04984	0.5
358.09235	1.4
358.83945	0.6
359.09225	1.6
433.18738	3.7
451.19785	23.7
452.20221	1.5
477.17868	0.7
521.20325	44.7
522.20471	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
58.03814	0.6
59.01381	9.0
69.10067	2.3
69.10465	1.7
71.01391	2.1
72.99304	3.6
73.02956	1.3
74.81287	0.6
81.03468	4.1
83.03844	0.5
85.02966	1.2
93.03493	1.5
95.01369	0.8
99.04533	10.2
101.02455	27.9
107.05074	0.7
109.02961	3.0
113.02419	0.7
116.45822	0.5
121.02968	3.8
122.03764	3.9
123.04574	2.1
125.02541	0.8
132.02216	1.2
133.02956	3.4
134.03763	1.1
135.04549	17.5
139.08270	0.6
145.03026	1.2
147.04602	0.7
148.05376	0.9
149.02463	38.7
149.06154	1.0
150.03239	22.5
151.03998	1.3
153.20557	0.6
161.02467	10.1
161.04561	1.3
162.03062	0.8
163.04163	0.8
164.04819	9.1
165.05586	33.5
166.06326	1.2
170.03642	0.6
178.02711	0.6
179.03505	5.1
180.04268	0.7
181.08769	1.0
185.02586	0.8
195.06654	11.8
195.61133	0.6
197.04657	2.6
208.05400	0.6
208.07465	2.3
209.02701	0.7
209.06267	0.7
223.09801	4.7
241.03363	1.2
263.13037	2.7
264.04459	0.7
269.02878	1.1
285.02228	3.2
287.03918	0.6
297.02292	1.4
314.11710	4.2
315.03546	2.2
315.12738	0.7
321.04391	1.4
322.04797	0.9
323.04782	2.4
329.13940	17.3
341.01450	6.1
341.06537	2.4
356.12759	3.8
357.13565	1.4
359.07751	2.0
359.28250	0.7
371.15048	18.6
372.15573	1.4
377.16153	4.1
396.15768	5.8
411.18155	31.8
412.19003	1.4
419.16919	0.7
459.21158	0.8
521.11725	1.9
521.20642	5.7
521.33862	3.4
522.21600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68447	1.0
53.08128	1.1
57.03456	100.0
59.01386	20.3
59.70668	0.9
60.29414	1.1
62.37639	1.0
72.99319	2.4
76.41006	0.9
93.03472	1.1
99.04533	95.3
99.59563	1.3
100.04876	1.1
101.02444	18.1
109.02981	10.5
110.03359	2.5
121.02976	4.0
122.03790	1.2
125.02468	4.8
135.04576	5.3
136.01648	1.3
136.04884	2.2
143.03561	1.5
149.02406	5.4
150.03244	16.8
159.04568	1.5
161.04572	22.4
162.03194	5.3
164.04848	1.2
165.05592	19.1
166.06366	16.1
167.60892	1.1
177.05583	8.6
179.03603	2.2
180.04108	1.9
181.08710	12.2
185.02460	4.6
186.03076	2.3
187.03183	1.7
195.06648	21.1
197.04524	1.7
220.05377	1.1
221.06015	1.5
222.06471	1.2
237.07686	6.0
249.05507	2.1
250.05743	2.0
251.03516	1.3
251.06018	1.6
252.03954	1.5
264.04318	1.3
265.04971	1.6
266.05392	1.4
267.06311	2.0
268.06915	1.7
269.07114	1.5
277.05096	2.8
277.10907	3.0
278.05319	2.2
279.03036	2.2
279.06149	2.9
280.03394	3.9
281.03809	2.7
282.04443	1.2
293.04596	1.8
295.06009	5.0
296.06442	1.6
297.06689	3.2
321.03989	10.4
322.04419	13.2
323.04697	22.5
329.14014	6.2
339.05118	8.0
340.05466	9.9
341.05664	13.0
342.06271	1.1
377.16174	5.9
419.17081	1.4
521.09888	8.4
521.17816	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	521.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30330	0.9
56.99786	0.7
57.03455	100.0
58.03794	1.0
59.01386	88.0
64.79145	0.8
69.73334	3.1
71.01385	1.8
72.90447	0.7
75.97620	0.8
81.03465	3.6
83.01384	1.2
85.02965	1.4
94.61443	1.0
99.04531	80.2
100.04855	1.5
101.02453	13.5
103.41150	0.9
110.37293	0.8
116.92882	7.6
125.02465	31.9
133.02966	1.4
135.04559	4.9
136.18483	0.9
157.65823	0.9
161.02461	5.8
161.04579	1.4
166.91664	0.9
179.03520	2.6
197.04607	2.2
219.73177	0.8
260.00995	1.0
285.74683	0.9
291.18149	2.1
517.77734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
58.66610	1.3
59.01384	73.2
70.51742	2.8
71.01392	1.8
72.99313	4.4
74.30545	1.4
81.03437	1.8
91.40527	1.2
98.71029	1.5
99.04527	82.3
101.02448	15.3
115.27860	1.4
123.04511	1.4
125.01641	2.1
125.02464	27.7
133.02945	5.5
134.03749	1.8
135.04541	16.3
161.02490	15.6
179.03499	6.2
197.04631	3.2
239.36952	1.4
291.18121	2.6
333.19040	2.5
359.07813	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	521.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37252	0.8
51.89047	0.8
55.01886	2.6
55.36835	0.9
57.03439	2.5
59.01387	36.8
61.98833	3.7
65.95273	0.8
69.56111	3.2
71.01389	25.0
72.99315	1.6
73.02952	15.4
73.40824	0.8
81.03502	0.9
83.01390	10.3
85.02956	15.3
87.00901	1.5
89.02465	3.0
89.86378	0.7
93.03505	1.0
95.01395	2.4
97.02994	1.5
98.22610	1.1
99.00878	2.8
101.02453	37.3
103.04041	1.6
109.02965	11.8
113.02464	14.0
121.52136	0.8
123.04571	1.1
125.02466	1.4
135.04501	3.1
137.02495	1.5
145.05128	1.3
148.01750	1.7
158.02106	0.9
159.03001	2.9
159.04529	3.3
161.02501	1.7
161.04572	14.4
179.03519	4.0
185.02478	2.3
207.02966	5.3
263.28122	0.9
269.08191	2.6
313.07425	1.4
315.18143	43.7
316.18564	2.1
321.03918	2.8
322.04388	1.8
323.04694	3.0
329.86282	1.0
341.05560	1.8
461.23947	100.0
462.24118	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	521.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.1
66.91872	0.3
71.01414	0.3
72.53049	0.3
73.02981	0.3
79.86078	0.2
80.01595	0.2
96.07066	0.2
99.04570	0.7
101.02480	0.4
120.51402	0.3
133.02985	0.3
135.04581	0.4
161.02473	1.1
162.83960	0.4
179.03535	0.3
216.11630	0.3
229.12431	0.5
285.18533	1.4
301.18130	1.0
315.19571	1.6
316.20432	0.9
317.21237	100.0
318.21631	5.1
335.67911	0.3
461.25616	0.5
521.27606	14.5
522.27985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.4
61.98858	0.1
64.72765	0.1
98.21851	0.2
99.00880	0.2
117.03474	0.2
121.02934	0.2
131.03442	0.1
133.02985	0.2
135.04555	0.3
145.02980	0.3
161.02475	0.6
216.11589	0.2
229.12439	0.3
268.37073	0.1
285.04041	0.2
285.18579	1.1
287.16504	0.1
301.18137	0.8
302.18854	0.2
315.19568	0.7
316.20477	0.6
317.21228	100.0
318.21570	5.9
398.15475	0.2
461.24979	0.1
478.15680	0.1
479.26602	0.1
507.09131	0.1
521.27600	18.7
522.28009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2763
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
51.46907	0.5
57.42541	0.4
57.88163	0.5
59.01380	7.0
65.26127	0.5
66.30454	0.5
69.94870	1.5
71.01399	0.7
72.99311	0.7
76.06119	0.5
78.55135	0.5
78.95930	0.7
85.02934	1.6
96.12345	0.5
96.98372	0.5
97.02945	1.7
98.16909	0.5
116.92845	0.9
133.02975	0.9
135.04486	1.1
160.84193	0.6
161.02431	2.9
162.83975	0.8
179.03433	0.8
183.75677	0.5
229.12122	0.5
293.21262	2.2
301.18161	1.3
315.19690	8.1
316.20218	2.6
317.21243	100.0
318.21619	5.3
323.13766	0.5
359.08658	0.5
359.22232	1.3
383.22296	0.7
461.25464	16.6
462.25873	1.7
479.26471	8.0
506.16916	0.7
521.27551	19.0
522.27930	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	521.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11138	2.0
53.35571	2.0
59.01394	2.7
63.13820	2.4
65.39491	2.2
72.99302	4.3
121.02962	4.2
124.23273	2.2
135.04533	3.1
185.02446	2.8
197.04559	3.9
214.72888	2.2
276.05679	2.7
280.47256	2.4
295.05914	2.8
321.03998	3.7
364.07578	2.3
382.62741	2.4
479.26224	2.6
485.32739	100.0
486.32922	8.0
521.17993	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61400	3.8
70.64406	4.8
154.04660	5.4
161.02461	9.9
162.84048	7.1
164.83728	5.3
194.57907	5.6
228.15503	4.8
228.98720	4.5
342.94843	4.7
347.48260	5.2
485.32779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18337	17.7
69.18758	36.4
72.99320	13.4
90.03611	7.7
106.98408	6.9
112.56441	8.8
113.85268	9.7
161.02444	27.8
287.06995	7.9
317.21310	100.0
449.87686	10.4
521.29663	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	521.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99475	10.2
98.21957	5.8
135.04465	6.1
150.60814	5.5
161.02466	7.9
162.83722	6.8
219.77115	6.0
485.32745	100.0
486.33368	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	522.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40221	2.7
55.91065	2.3
59.01385	4.8
61.98848	2.8
69.83368	6.3
72.99338	2.9
89.61847	2.6
99.04532	100.0
133.02963	5.1
135.04543	32.9
136.04869	7.0
161.02461	17.8
179.03487	11.6
243.38605	2.4
284.10709	2.9
334.18323	2.7
361.16339	2.6
393.69141	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	523.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22053	0.5
59.01384	71.5
60.01725	0.5
71.01398	0.6
72.99321	1.1
78.42265	0.5
85.02914	0.5
89.02464	0.9
101.02462	0.9
135.04555	1.5
141.00455	1.4
143.00186	0.8
157.03586	6.8
159.01479	2.7
163.03972	0.8
174.99226	1.0
181.05086	2.5
183.01509	2.1
185.01187	1.5
195.01471	0.9
197.01361	0.7
201.02567	100.0
202.02728	5.1
217.00314	5.1
229.59650	0.5
243.03569	2.6
245.03453	2.5
278.96219	0.8
283.02811	2.1
341.10831	0.7
343.03729	27.8
344.03687	2.9
359.01575	4.2
360.96442	0.7
363.07849	0.7
365.07687	1.6
373.14569	0.6
522.99646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31481	0.5
66.39533	0.5
70.70125	0.9
72.99315	38.3
74.92154	0.5
91.77039	0.5
95.05014	0.9
105.03448	0.8
107.05035	0.9
108.02175	0.7
109.02943	1.1
119.00950	0.6
121.02955	2.1
122.03750	0.7
123.04537	18.0
132.02209	1.1
133.02972	26.0
134.03769	4.8
135.04539	27.9
137.02414	0.8
139.04012	1.0
148.01677	16.1
149.02492	3.3
150.03221	2.0
151.04025	26.7
161.02458	100.0
162.02870	2.7
165.05580	1.3
170.97446	0.6
177.01994	2.0
177.83658	0.7
178.02737	4.7
179.03514	34.4
180.03835	1.0
197.04568	50.5
198.04811	0.9
211.06155	0.8
212.43483	0.6
246.88097	0.6
321.04044	0.7
358.06964	0.7
359.07739	37.3
360.08002	1.7
361.09320	88.7
362.09705	5.8
384.13800	0.6
401.83859	0.6
448.47171	0.6
523.12469	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30045	0.6
56.57892	0.6
57.03455	12.4
58.03789	2.2
59.01402	0.9
61.99201	0.6
65.14854	0.6
65.99940	0.5
71.41520	0.8
72.99317	7.9
75.00874	0.7
75.95601	0.6
83.91191	0.6
88.92525	0.6
93.64719	0.6
99.04517	0.8
100.00526	0.6
101.02444	3.5
102.02791	0.7
104.39282	0.6
108.02184	0.7
109.02979	2.6
110.82449	0.7
121.02937	0.9
122.03739	1.5
123.03748	0.6
123.04533	4.3
135.04538	9.7
137.02455	0.7
145.02983	3.8
149.02484	1.8
150.03276	4.3
151.03638	1.9
152.03757	0.9
155.60634	0.8
160.01694	2.5
161.02461	2.0
162.03094	0.7
165.05569	7.1
166.05934	3.3
167.06136	1.7
173.02460	10.7
174.03217	2.4
175.04001	1.0
179.03580	3.8
185.02458	1.8
188.01195	1.4
195.06645	3.3
196.06958	2.5
197.04523	4.7
197.07253	1.0
201.01950	2.9
209.05975	0.8
212.32690	0.7
225.05569	1.9
237.05573	2.0
239.03491	2.2
249.05612	1.0
253.05038	4.9
254.05721	2.3
260.02744	0.6
263.03549	1.8
264.04370	2.5
265.05112	5.5
266.05927	3.8
267.03201	0.6
267.06534	1.8
276.04312	4.6
280.03720	1.9
281.04575	31.9
281.15521	1.1
282.05295	10.4
288.40494	0.7
291.03091	1.9
292.03821	1.7
293.04565	16.2
294.05222	2.4
295.06018	1.5
299.09329	2.0
299.16315	0.8
309.04089	7.2
310.04834	12.1
311.05179	0.8
317.17737	1.9
325.07190	100.0
326.07565	5.5
330.14001	0.7
413.18738	0.8
523.21661	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	523.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06195	0.9
69.70224	4.0
72.99318	24.3
75.91662	0.9
95.04996	1.7
97.23955	0.8
98.88148	1.0
99.00867	1.2
105.03447	1.5
107.05068	1.4
109.02975	4.3
109.37038	0.9
117.03499	2.3
121.02979	1.7
123.04532	11.7
132.02205	4.6
133.02971	27.9
134.03761	11.4
135.04544	100.0
136.04868	3.1
147.04524	3.5
148.01671	7.8
149.02460	3.0
150.03246	2.3
151.04028	19.5
159.04541	3.7
160.01694	8.2
161.02464	86.5
162.02966	3.7
177.01944	6.7
177.05496	1.2
178.02766	4.6
179.03513	39.1
197.04559	30.4
206.43456	1.0
221.04512	5.2
239.07037	1.0
256.02960	0.9
311.05695	1.1
313.07114	4.0
325.07153	6.9
329.06573	3.6
343.08078	4.0
357.06189	6.0
359.07758	19.8
360.07977	1.8
361.09323	49.1
362.09601	2.4
385.49600	1.0
523.12512	4.2
523.20129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.125
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	15.4
82.48653	0.9
83.26974	0.9
109.02985	1.5
122.17582	0.9
123.04556	6.5
123.21618	0.9
126.50887	0.9
132.02200	1.8
133.02972	17.6
134.03802	7.4
135.04547	48.6
148.01685	1.1
151.04095	1.7
160.01688	1.6
161.02467	100.0
162.02878	2.7
171.81540	0.9
177.01950	2.8
179.03517	22.9
179.05104	1.1
197.04565	18.1
197.37714	0.9
237.49083	0.9
255.09137	1.0
311.51776	0.9
313.06839	1.1
325.07114	2.3
339.55612	1.0
343.08325	1.5
359.07748	47.9
360.08130	3.4
420.94952	1.0
439.49695	1.0
523.12817	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50427	0.4
61.98831	0.6
69.22781	2.7
70.83910	0.5
72.99319	9.2
74.36693	0.5
78.62836	0.5
96.96030	0.6
109.02947	2.1
121.02943	0.8
122.03757	0.8
123.04540	4.4
133.02969	0.7
134.03748	1.2
135.04546	10.7
145.03017	3.3
149.02437	0.8
151.04004	0.7
160.01685	1.7
161.02425	2.0
173.00946	0.7
173.02448	12.6
174.03192	1.9
175.03984	1.1
179.03537	4.4
185.02502	0.9
188.01175	1.2
197.04622	5.8
197.06200	1.1
201.01947	4.5
209.06122	0.6
221.06345	0.6
223.03964	1.0
225.05583	2.5
236.04897	0.7
237.05511	1.5
239.03508	2.0
240.04150	0.5
249.05588	0.8
252.04376	0.7
253.05089	5.9
254.05835	2.1
263.03491	1.2
264.04242	2.8
265.04996	4.5
266.05814	2.3
267.06558	1.4
271.06149	0.7
276.04318	2.4
277.05093	1.2
279.02954	0.9
280.03699	2.7
281.04565	43.0
282.05304	12.0
283.05569	0.7
291.02890	1.9
292.03738	2.1
293.04565	10.1
294.05219	1.9
295.06091	1.6
299.09293	1.4
309.04105	6.3
310.04855	14.8
311.05161	1.0
325.07181	100.0
326.07458	4.9
361.09506	1.0
366.02435	0.6
413.33994	0.6
453.40643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1468
Annotation	verminoside
Peak:m/z	Relative Intensity
59.01382	10.4
69.51776	3.1
71.01373	7.6
72.99315	8.8
73.02975	1.2
75.00875	1.5
81.03477	0.9
81.41455	1.0
85.02960	2.4
89.00393	1.2
89.02450	3.3
91.01917	1.1
93.03481	3.5
95.01350	1.2
96.95988	1.3
101.02462	3.8
106.00616	4.2
107.01427	2.0
107.05114	1.7
109.02998	5.5
111.00869	1.6
112.59063	1.2
113.02476	1.8
119.05039	91.7
120.05428	1.2
121.02969	33.9
123.00896	4.8
123.04543	3.5
124.01688	3.5
125.47340	0.9
127.00371	1.7
133.03020	2.5
134.03760	3.1
135.04536	19.6
136.04903	2.1
137.02483	6.6
138.03249	5.6
139.00368	1.4
139.04036	5.9
153.05597	29.1
159.04527	1.6
161.02496	11.1
162.02795	6.4
163.04037	70.2
164.04367	1.5
166.99913	3.2
168.00613	3.2
178.02737	1.1
179.03470	3.6
180.03912	2.2
181.01498	7.7
181.05101	23.2
182.02202	7.5
183.03018	10.6
185.02435	2.2
193.05089	3.1
195.06668	1.4
196.03812	5.4
197.04572	72.4
198.04919	3.1
199.05272	1.2
206.42012	1.0
211.06157	5.1
224.03281	6.1
225.04005	4.5
239.05609	32.4
267.06461	1.3
269.06668	4.4
285.06525	2.6
295.06180	3.0
299.07803	11.2
321.04089	2.6
323.07791	1.9
324.08099	4.0
325.08191	7.0
327.07190	3.6
331.17627	2.1
341.08868	4.4
343.10345	30.7
353.33054	1.1
360.10464	1.5
361.08517	2.3
491.12244	4.0
523.14648	100.0
523.21130	3.8
524.15015	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	523.1828
Annotation	Verbenabraside B
Peak:m/z	Relative Intensity
51.50421	0.3
56.31263	0.3
59.01381	1.6
69.70930	0.6
69.71291	0.6
71.01398	0.9
71.05026	0.6
72.99323	0.9
85.02962	1.2
92.15666	0.3
93.03471	0.8
94.74130	0.3
95.13482	0.3
95.63623	0.3
96.96014	0.3
97.02935	1.8
98.21938	0.5
101.02460	0.7
109.02940	0.5
113.02419	0.4
115.04025	13.0
117.03457	0.5
119.05038	100.0
120.05367	1.8
133.02953	1.0
135.04556	1.8
145.03000	2.0
149.02417	0.5
150.05617	0.4
156.54434	0.3
158.33189	0.3
161.02452	4.1
162.02783	0.4
163.04025	87.1
164.04366	2.0
175.04082	0.5
179.03500	0.6
194.04625	0.6
205.05084	0.5
215.09271	1.9
282.50949	0.3
287.22171	0.5
307.08258	1.2
360.10956	0.7
361.11090	1.0
362.08817	0.8
385.98727	0.3
388.10336	0.6
407.13702	2.0
449.27304	0.5
523.11792	0.3
523.35150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
55.84607	0.8
55.84906	0.8
57.03450	2.0
59.01386	44.6
61.98822	2.3
62.19469	0.7
69.22655	3.2
71.01390	29.4
72.99331	0.9
73.02576	1.0
73.02956	11.9
80.13013	0.8
83.01395	7.2
85.02960	18.1
87.00894	1.9
89.02460	5.0
95.01395	3.2
97.02980	1.6
99.00895	5.0
101.02457	35.2
108.39996	0.8
109.02929	1.0
113.02457	13.7
119.03513	0.8
121.02951	3.3
125.02460	1.4
131.03513	20.6
135.04576	1.7
143.03500	2.5
153.05560	2.1
159.03008	3.3
161.04561	17.1
164.78952	0.8
181.01514	0.8
182.02350	1.4
197.04585	11.5
239.05704	5.1
297.15289	0.8
299.07794	1.6
331.17642	100.0
332.18042	3.2
428.36343	0.9
463.21912	36.7
464.22070	1.3
523.16663	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	523.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.3
62.79818	0.6
69.03464	2.4
71.01377	1.0
71.05027	7.4
72.99326	1.2
73.02967	3.8
80.96516	0.9
87.04536	2.3
95.05041	0.9
96.93723	0.6
96.96027	1.8
97.02961	5.8
101.02444	0.9
109.02981	1.1
113.02515	0.6
113.06107	0.9
115.04030	100.0
116.92881	1.6
117.05602	1.6
118.32170	0.5
119.05047	0.8
133.03020	1.3
135.04550	5.5
139.04077	0.7
160.01651	0.8
161.02483	3.1
162.02898	0.8
163.04012	0.9
179.03534	2.1
197.04666	0.9
225.00774	0.6
253.04913	0.6
261.53745	0.7
287.22446	0.8
368.43317	0.7
407.00427	0.6
431.26862	1.1
449.27441	0.9
494.64636	0.5
523.18799	0.7
523.34937	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02891	1.3
70.57428	2.0
72.49765	1.2
74.08624	1.7
91.74280	1.2
98.21894	1.5
121.02984	2.2
139.51888	1.4
149.02486	11.0
151.04025	6.0
161.02460	27.5
164.04799	11.4
176.04802	17.3
179.03514	38.7
179.07126	20.1
191.07132	11.5
194.05864	39.0
202.09966	2.0
209.08206	100.0
210.08479	3.2
227.10861	2.7
299.16522	4.7
314.18906	8.5
315.19559	11.5
505.25775	3.3
523.27240	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
57.03449	1.0
58.59169	0.3
59.01385	100.0
60.01725	0.8
69.03469	0.4
69.07920	0.9
69.08324	1.5
71.01389	10.3
71.05019	0.4
72.99332	0.5
73.02954	4.8
75.00889	0.4
81.03475	1.2
83.01411	1.9
83.05038	1.0
85.02958	5.5
87.00898	0.5
89.02462	1.3
95.01400	0.6
97.02945	0.4
99.00910	1.1
99.04539	2.6
101.02456	8.9
109.02979	0.8
113.02460	5.4
113.03162	0.5
119.03487	0.3
123.04570	0.5
135.04565	1.5
138.03235	0.3
141.05573	0.5
143.03540	1.1
159.03021	1.2
161.02470	1.4
161.04570	7.9
168.16063	0.3
179.03612	0.9
197.04674	0.5
270.05280	0.5
271.57538	0.3
285.07785	1.0
295.06091	0.3
298.17242	0.4
310.04694	0.3
311.05499	0.7
321.04056	0.6
328.02124	0.4
363.21851	3.4
381.22791	7.1
382.23328	0.5
416.83789	0.3
463.26810	2.1
476.45468	0.4
481.28345	0.6
487.12894	0.4
513.46375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.292
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
54.44811	0.6
59.01388	3.4
59.67137	0.7
72.99324	0.8
74.77779	0.7
95.85937	0.7
98.50462	0.7
123.04568	1.0
133.02956	2.7
135.04524	2.3
161.02448	8.0
197.04558	0.8
313.07361	1.6
319.22812	4.6
390.16855	0.7
408.58542	0.7
463.27057	15.8
481.28152	18.1
482.28439	1.3
523.29187	100.0
524.29462	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
59.34086	0.5
61.98825	0.8
64.16212	0.5
70.63992	0.9
94.19762	0.4
105.03504	0.5
106.42299	0.5
117.03474	1.1
121.02988	0.7
122.17316	0.5
132.02194	0.9
133.02980	23.8
134.03767	15.1
135.04546	45.3
135.97540	0.5
136.04808	0.8
137.02461	4.3
139.04024	1.6
150.03168	0.8
161.02467	90.1
162.02841	2.1
162.83871	0.8
178.02745	2.0
178.53041	0.4
179.03520	21.7
235.06219	0.6
287.22333	7.5
363.25479	1.3
431.24438	34.7
432.24698	1.8
449.19550	1.1
449.25494	16.8
450.26175	0.9
523.29187	100.0
524.29382	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	523.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36203	5.7
70.55305	12.2
82.26689	6.3
82.96455	5.9
89.72182	5.4
98.61794	6.1
106.49679	6.5
487.34436	100.0
488.34509	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.32
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92492	14.2
80.42074	11.0
124.99106	9.5
157.32626	9.0
181.77989	8.7
283.46283	10.3
469.33023	10.2
487.34436	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	525.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.1
62.43015	1.5
72.99309	22.1
85.02995	1.8
96.96024	2.4
99.81735	1.8
109.02956	5.6
111.00886	6.5
123.00919	2.7
123.04530	9.6
130.24742	1.8
133.03032	2.6
134.03696	2.2
135.04536	25.4
159.04422	2.4
160.01674	2.7
160.05289	2.8
161.02457	7.2
163.00436	2.4
179.03497	10.5
184.05272	2.1
185.02431	4.0
186.03270	8.9
187.03949	2.1
189.05469	2.2
197.02844	2.3
197.04524	12.6
198.03253	7.6
200.04758	2.9
201.01962	2.3
201.05611	2.2
202.06378	2.3
211.04034	5.5
212.04820	5.5
214.02751	27.2
215.03468	8.0
227.03497	3.4
227.42735	1.7
228.04306	10.2
229.05051	2.9
233.04495	2.5
239.03529	3.4
240.04306	5.0
254.02278	2.0
256.03778	7.2
257.04669	2.8
258.05396	9.8
266.02219	6.7
267.02927	4.6
273.04822	1.6
273.07635	12.6
284.03302	59.9
285.03720	3.3
295.06223	3.3
299.05612	100.0
300.05811	3.6
302.04321	40.6
302.07584	3.5
303.04697	2.6
309.04062	4.3
317.06686	94.0
318.07065	4.4
321.04022	4.3
327.05096	8.0
330.02719	1.8
335.07663	3.1
339.04865	3.4
345.06171	8.8
497.03625	3.4
497.10956	70.8
498.11612	2.5
507.09430	2.5
510.45029	2.1
525.10358	17.0
525.19110	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.2
71.01387	1.3
72.99303	1.5
73.02959	0.8
78.95908	0.5
79.95748	3.1
83.01413	0.5
96.96021	100.0
98.22640	1.7
101.02455	1.3
113.02443	0.6
114.93439	2.1
119.04995	1.0
133.02928	0.8
134.03810	0.6
135.04532	4.7
161.02458	4.9
161.04507	0.7
163.04129	0.7
175.04027	0.5
179.03569	1.5
197.04587	0.8
232.12724	0.5
240.38074	0.5
293.10379	1.1
299.94379	0.7
398.30606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48044	2.4
58.00594	2.7
59.01379	6.2
68.08270	2.4
69.62743	2.1
71.01382	7.7
71.43972	2.6
71.44624	2.3
72.99299	7.9
77.91140	2.4
79.74597	2.3
81.03453	4.0
83.01440	2.4
85.02965	3.4
87.00885	3.0
91.01898	3.6
95.01395	2.5
96.96063	2.8
101.02412	2.7
107.01398	5.4
108.02196	15.1
109.02947	10.3
113.02398	2.5
117.03538	2.7
118.12824	2.6
121.02949	7.4
122.03800	4.0
123.00903	3.1
123.04557	24.8
125.02464	3.5
133.02983	5.7
135.04544	23.0
137.02492	11.8
145.02943	7.5
147.04541	4.1
149.02438	28.3
150.03241	69.5
151.00406	5.8
151.04051	13.0
152.01180	19.8
153.01930	4.3
161.02469	20.8
161.32175	2.5
162.03065	7.9
163.04016	4.9
164.04849	11.4
165.00694	3.3
165.01956	33.4
165.04297	4.0
165.05592	43.9
166.02731	2.6
167.03520	67.3
177.05592	2.7
179.03534	8.0
180.04164	2.5
182.35187	2.6
195.02969	3.0
195.06664	21.6
197.04590	5.7
199.05026	2.8
248.46954	2.6
283.06006	2.5
296.05380	9.2
301.07312	2.5
311.07742	100.0
312.08292	3.4
345.06244	4.8
357.02753	2.9
457.71091	2.3
477.14087	79.4
478.14175	4.0
489.14203	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	525.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77491	0.7
55.01883	1.1
59.01388	4.9
60.49368	0.7
61.98792	0.8
62.35376	0.9
68.99820	1.0
70.01248	0.7
70.15024	0.7
71.01394	11.1
72.99307	1.9
73.02964	2.2
83.01401	2.3
85.02968	3.3
89.02480	0.9
92.02697	1.8
93.02867	1.8
93.03467	36.4
95.01419	1.9
96.96017	6.3
96.99319	1.0
99.00916	0.9
101.02458	8.1
107.01405	1.1
107.05022	0.7
108.02185	3.4
109.02934	2.5
112.78481	0.6
113.02464	4.5
117.03501	0.8
118.52834	0.9
119.05028	1.5
121.02974	2.1
122.03796	1.4
123.00895	1.0
123.04572	4.2
125.02457	1.2
133.02972	1.2
135.04514	4.4
136.01677	3.5
137.02458	77.4
145.03004	5.3
147.04539	1.1
149.02434	0.8
150.03238	10.8
151.00420	1.3
151.04030	3.3
152.01195	3.1
153.01932	2.3
153.05583	0.9
161.02487	2.1
163.04076	2.5
165.01947	53.5
165.05585	15.1
166.02519	1.4
167.03513	16.7
168.04259	2.8
177.05513	1.2
179.03520	3.5
180.04298	44.9
181.05051	1.6
183.06702	3.8
183.08060	0.9
195.06638	75.3
196.07002	1.8
221.04399	0.9
243.08595	1.1
265.07336	1.0
281.06689	100.0
282.07007	2.8
296.05579	1.8
311.07748	13.2
322.44263	0.8
325.09052	0.8
367.10437	1.4
404.37112	0.8
465.14099	1.3
525.16150	67.5
526.16327	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	525.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.9
67.01898	1.7
71.01385	4.1
83.44032	1.8
85.02956	1.7
87.09435	1.5
89.02452	1.8
91.01914	6.1
95.01375	1.9
98.22681	3.3
101.02460	2.2
107.01407	4.3
108.02184	8.3
109.02959	4.5
111.00877	1.9
113.02459	3.4
113.44508	1.4
117.03439	8.0
118.86370	1.5
122.03738	2.5
122.99847	1.6
123.00803	2.0
123.04536	26.2
123.05374	2.2
133.02988	4.5
134.03729	2.6
135.04544	6.8
145.02968	35.0
146.03775	4.8
147.04518	9.0
149.02437	2.8
150.03238	5.0
151.00420	11.6
152.01160	13.4
153.02003	2.6
161.02441	27.6
161.03700	1.7
162.03256	43.4
163.04022	5.7
165.01941	6.2
165.05521	2.0
166.02734	14.4
167.03520	84.2
177.05580	15.7
179.03595	1.8
181.05078	16.5
190.46069	1.6
194.02231	11.7
209.04567	100.0
210.04854	3.7
239.05579	16.7
269.06680	36.4
292.38934	1.6
329.08801	8.1
341.09094	1.8
410.60669	1.9
507.15118	28.1
525.16406	4.9
550.68903	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	525.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
65.00351	0.6
69.86256	1.8
71.01392	5.3
73.02934	1.1
81.03461	0.8
83.01425	1.0
85.02964	1.3
91.01894	1.1
93.03485	1.2
95.01383	1.1
101.02451	3.7
103.90318	0.5
107.01405	5.4
108.02175	6.8
109.02979	1.2
110.41168	0.5
111.03605	0.6
113.02468	2.2
121.02988	2.1
122.03747	6.9
123.04533	11.0
125.02450	1.3
133.02927	0.7
135.04506	0.8
136.01678	1.2
137.02448	0.9
138.03247	1.0
150.03239	54.6
151.00394	5.0
151.03690	0.8
152.01176	9.5
153.01926	2.1
153.05573	3.1
165.05586	100.0
166.02759	1.4
166.05910	2.3
167.03511	36.2
168.03847	0.9
179.26140	0.6
180.04243	0.9
181.05099	1.1
199.23543	0.6
213.07800	0.8
266.13242	0.6
281.69662	0.6
294.63528	0.7
296.05417	5.1
297.06137	0.8
302.87918	0.6
311.07745	80.8
312.08063	2.5
358.68866	0.6
429.62473	0.5
470.87711	0.6
525.16180	27.0
526.16534	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	525.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92373	2.8
58.38305	2.9
59.01384	100.0
79.55751	3.3
99.04534	4.8
159.50023	3.3
161.80681	3.7
166.00035	3.3
199.08725	3.5
212.47592	3.9
241.51761	3.5
268.60205	3.6
283.85931	3.8
408.47690	3.4
479.07202	3.2
541.46869	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	525.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15517	0.7
52.22166	0.8
54.16293	0.9
59.01386	100.0
60.01719	0.8
61.98847	1.3
78.70669	0.7
98.22684	1.5
99.04544	4.2
109.21123	0.7
111.40070	0.7
116.34969	0.7
128.93864	0.7
131.38016	0.8
135.04564	1.1
143.61497	0.8
161.02505	1.1
167.30360	0.9
319.29108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30924	42.7
58.71354	38.4
71.14754	41.7
72.40115	35.5
89.67108	38.9
92.50072	36.9
112.28014	44.7
133.03008	65.5
135.04553	100.0
141.24315	43.4
161.02451	91.3
163.52148	44.7
179.03543	75.0
253.21758	49.5
283.12357	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93764	3.3
63.19804	2.9
64.04443	3.0
69.50235	13.6
69.56129	2.5
85.48737	3.1
119.37090	2.8
135.04533	3.8
140.08220	2.8
149.02435	12.1
151.04034	6.1
161.02478	32.4
164.03526	4.0
164.04706	16.0
176.04790	22.8
179.03514	53.3
179.07133	18.5
191.07161	12.8
194.05867	49.5
209.08224	100.0
218.66631	3.0
315.19620	16.4
316.20255	5.9
317.21268	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98792	0.5
53.04402	0.5
54.83878	0.4
59.01386	100.0
60.01719	0.8
67.47971	0.5
69.27625	1.4
69.28034	1.4
71.01390	9.7
72.99327	1.1
73.02955	6.1
83.01413	1.9
84.86862	0.5
85.02957	4.1
89.02457	5.2
95.01410	0.9
96.96027	2.6
99.00905	1.2
99.08378	0.5
101.02478	6.4
103.57676	0.6
113.02454	7.3
115.62585	0.6
119.03532	1.9
122.05192	0.5
131.03511	0.7
133.03014	0.7
135.04549	2.7
143.03568	1.2
148.06679	0.5
161.02475	2.1
161.04610	2.1
177.01996	1.6
179.03583	0.6
179.05679	0.9
191.54761	0.5
243.61627	0.5
349.25800	0.6
403.94159	0.6
406.17752	0.7
434.41702	0.6
450.16876	1.3
465.28488	1.2
483.29828	1.4
525.23877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.83248	0.3
61.98835	100.0
67.48483	0.3
69.69791	0.5
69.70175	0.8
71.01382	0.6
71.55445	0.2
73.02946	0.4
85.02937	0.4
93.89536	0.3
109.02991	0.3
117.03493	0.3
118.39610	0.3
123.04548	0.5
124.04028	0.3
135.04533	0.8
145.02972	0.5
146.03372	0.4
147.04265	0.3
161.02466	0.9
162.03181	0.9
163.03761	0.3
166.02815	0.3
167.03503	1.7
168.03917	0.9
178.05780	0.3
181.05194	0.3
197.04312	0.3
209.04567	1.4
210.04832	1.4
240.06190	0.4
269.06668	0.8
270.06992	0.8
284.38226	0.3
466.22610	0.5
508.15497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05692	0.4
55.65531	0.4
58.71701	0.3
59.01385	2.9
61.98837	100.0
69.05700	0.9
69.06110	1.9
71.01371	2.0
72.01731	0.5
72.99329	0.7
73.01803	0.5
73.02964	0.9
78.45522	0.4
85.02969	1.6
89.02490	0.6
93.03456	0.4
101.02467	1.4
102.02805	0.6
109.02924	0.7
113.02454	1.0
114.02743	0.5
131.03513	0.6
133.03938	0.4
135.04529	2.1
136.01704	0.5
137.02460	0.8
138.02782	0.6
150.03232	1.1
161.04582	1.2
163.05135	0.5
165.05586	1.1
177.02034	0.4
178.02534	0.4
179.03551	1.1
197.04607	0.9
239.05569	0.6
286.31247	0.4
295.06061	0.5
311.07748	0.6
312.07956	0.6
331.17551	1.0
332.17966	2.3
333.18170	2.2
334.18436	2.7
464.22253	0.5
465.22485	0.9
466.22650	2.6
467.16656	0.6
480.92535	0.4
526.17145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11086	1.4
59.01386	5.9
59.19302	1.3
61.55178	1.4
69.20494	6.5
69.20895	3.2
76.16315	1.4
79.63887	1.8
79.65540	1.4
85.40797	1.2
91.15234	1.2
99.13954	1.5
106.73898	1.3
109.02952	2.4
133.02959	8.2
134.03749	1.7
135.04538	72.3
136.04897	2.1
149.02454	4.2
150.03188	2.4
161.02469	29.1
179.03511	100.0
180.03679	1.8
207.89317	1.5
267.06619	19.2
272.61453	1.7
311.05634	21.1
341.06625	6.6
441.16699	1.4
470.60834	1.8
491.10208	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
70.06769	1.0
72.99311	8.3
98.21945	0.5
115.01925	0.6
116.05071	2.1
117.03475	0.4
119.03802	0.6
132.02142	1.9
133.02968	28.0
135.04535	5.9
142.06638	9.2
146.02531	1.2
147.03267	2.9
148.04042	1.6
159.03185	0.6
160.04039	0.4
161.02458	100.0
162.02829	2.1
162.05562	0.5
164.97231	0.4
165.88200	0.5
176.03575	0.8
178.05022	0.6
179.03542	3.8
210.94150	0.4
218.04643	0.9
275.08188	0.5
276.08987	2.7
287.08264	0.7
288.09091	1.2
289.09909	0.8
291.11508	1.5
303.11679	0.5
315.07654	0.5
321.12354	0.6
350.08932	1.0
365.11423	15.2
366.11523	0.8
527.14594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33368	0.4
57.65519	0.3
58.19592	0.3
70.32301	0.8
72.99316	10.3
99.65588	0.3
100.44553	0.3
105.03506	0.3
116.05083	2.1
117.03489	0.4
132.02203	1.9
133.02975	27.0
135.04536	6.7
142.06642	8.8
146.02513	1.4
147.03276	3.3
148.04060	1.2
157.87744	0.3
158.02516	0.6
159.03247	0.5
160.04095	0.3
161.02464	100.0
162.02829	2.4
162.05566	0.6
174.05676	0.5
176.03508	0.9
178.05130	0.9
179.02222	0.5
179.03566	3.4
218.04585	1.2
247.09000	0.4
275.08270	0.5
276.09006	3.1
277.09680	0.5
287.08203	0.7
288.09027	1.0
289.09848	0.9
291.11429	1.8
292.31741	0.3
303.11459	0.4
321.04306	0.5
321.12274	0.4
344.18872	0.5
347.10425	0.7
350.08881	0.5
365.11447	15.6
366.11636	0.7
388.08902	0.4
527.14679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79184	1.5
59.01386	100.0
60.01722	1.3
61.98834	2.6
71.01377	2.5
71.43935	1.8
72.99325	4.3
73.02956	1.7
73.20340	1.3
75.63495	1.5
83.01406	2.1
87.00890	1.6
88.52657	1.4
96.96024	2.1
99.09034	1.6
101.02435	4.9
105.47650	1.4
109.02988	3.2
109.36183	1.3
113.02477	2.1
116.92850	2.3
125.02447	2.6
135.04510	10.1
137.02435	2.7
143.03506	2.8
147.04497	1.6
150.03180	1.7
161.02454	2.9
163.04086	2.4
179.03506	3.4
197.04553	4.1
241.08800	3.0
252.83545	1.5
285.07724	3.7
287.07617	2.6
296.57629	1.5
303.64496	1.6
305.08740	5.6
347.09784	6.3
365.10934	7.0
407.11990	6.5
425.12610	2.8
459.47729	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45220	0.8
59.01383	100.0
69.42954	1.9
69.43346	1.3
71.01389	2.9
72.99322	2.3
73.02948	2.3
83.01373	0.9
85.02965	0.9
87.00871	6.4
89.02437	1.1
92.92957	0.9
96.96002	3.3
97.02941	1.5
98.22799	0.8
101.02442	2.7
109.02950	1.9
113.02429	1.4
116.92838	1.7
122.20801	0.8
123.04505	1.2
125.02457	1.9
134.03781	1.8
135.04526	7.3
137.02449	1.2
143.03574	1.0
146.54742	0.9
149.06093	1.1
160.01656	3.5
161.02403	2.0
165.05464	0.9
175.04008	3.8
179.03476	2.0
180.88553	0.8
190.02782	1.1
193.05042	1.8
197.04597	2.2
226.68034	1.0
241.08701	2.4
285.07709	1.6
287.07712	7.4
305.08746	4.0
340.16446	1.1
347.09833	8.9
365.10812	4.9
383.53299	0.9
407.11798	3.8
425.13126	1.7
467.14221	1.9
489.16312	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	527.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80194	0.8
52.91242	0.9
57.03456	50.3
59.01387	11.1
64.82309	0.9
69.03465	10.4
71.01392	2.5
71.05028	21.9
72.99299	1.6
73.02958	2.2
77.53587	1.0
81.03479	3.0
85.02951	1.5
87.69630	0.9
99.04530	41.4
101.02447	8.5
105.03432	1.5
113.02460	1.8
121.02975	9.7
123.04546	2.4
125.02468	27.8
134.03749	3.5
135.04544	22.4
142.39502	0.9
143.03488	2.1
147.00877	3.5
149.02440	1.1
149.09720	3.7
161.02461	14.0
161.04585	1.3
165.01898	1.3
177.09201	5.4
178.02423	1.0
179.03519	27.8
180.03880	1.7
197.04489	1.2
219.02965	1.2
221.08212	100.0
222.08582	3.7
227.40083	1.0
229.18733	1.2
260.74753	1.0
267.06653	7.2
305.08789	3.3
311.05627	6.2
331.42529	1.1
451.16937	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	527.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12238	1.8
59.01385	39.2
61.98827	5.9
70.67582	2.2
71.01393	11.1
72.99317	4.3
73.02956	25.8
83.01389	4.3
85.02964	6.0
89.02454	2.9
96.96053	2.8
99.00907	1.6
101.02463	14.4
109.02953	3.7
113.02443	5.1
123.04491	3.5
131.03543	3.2
133.47107	1.8
135.04524	10.6
144.71568	1.6
146.04909	1.7
160.06400	6.6
161.02515	2.2
161.04610	4.1
161.07225	66.0
161.08571	3.5
167.03548	1.9
175.08781	26.5
179.03497	4.1
189.06723	100.0
190.07103	1.9
197.04478	2.2
203.05609	5.4
203.08281	22.9
209.04510	3.0
221.06624	5.5
263.07803	5.5
277.12183	1.9
295.06317	2.3
305.11423	16.2
467.16818	8.4
467.32065	1.9
485.17917	8.1
508.97229	2.0
527.18842	77.0
528.19287	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01408	0.9
78.40106	0.6
78.47256	0.6
79.47227	0.7
81.87753	0.6
98.42874	0.6
101.06087	3.8
102.88166	0.7
113.02418	0.6
133.02975	1.2
161.02441	4.9
179.03542	1.2
444.42007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98315	0.7
59.01393	1.0
61.98809	0.7
69.17957	2.8
71.01359	1.1
75.00870	1.1
81.77929	0.7
85.02964	1.5
112.04807	0.7
130.61450	0.8
163.89862	0.8
274.06638	0.8
277.21790	3.0
447.12381	0.8
469.33243	43.7
470.33344	3.6
527.29108	100.0
528.29321	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	527.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12291	6.3
87.09092	0.9
95.41167	0.9
130.53445	0.9
139.31509	1.0
149.01868	0.9
258.63034	0.9
469.33255	59.1
470.33646	4.2
527.29065	100.0
528.29181	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	528.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	53.4
60.01712	6.5
61.01803	5.7
61.98835	100.0
64.30346	3.2
69.60342	14.2
72.99303	4.7
115.19595	3.3
127.36857	3.1
129.65346	3.1
133.02948	11.3
134.03770	4.2
135.04498	25.4
161.02473	36.3
162.02806	3.9
179.03470	13.0
231.19005	3.4
240.95625	4.4
443.47189	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	528.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55727	14.3
54.14803	14.6
69.10021	100.0
77.42585	13.6
78.51159	14.2
98.22611	35.0
116.16195	16.2
117.49930	16.0
118.86247	17.1
125.38018	14.5
151.82913	15.6
229.72398	16.5
528.21033	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52544	37.4
60.32427	38.0
61.89617	34.1
69.58932	67.8
69.59316	100.0
77.63640	33.7
81.73935	31.3
82.70954	32.2
83.12750	33.9
85.17113	32.9
85.87678	33.4
130.97858	38.9
153.77252	33.6
302.77338	39.8
485.32413	99.5
529.31598	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84176	26.6
59.01366	49.3
61.98827	61.1
65.75282	29.3
78.95869	31.7
79.21217	28.0
98.21800	57.7
119.93523	31.4
133.03014	35.7
161.02397	70.8
193.86237	32.6
292.20132	69.8
419.60587	34.5
447.13324	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	529.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	6.3
59.01378	3.9
63.12823	0.7
69.48051	2.9
71.01389	1.1
72.99316	1.1
73.02957	1.1
79.01470	0.6
89.02458	0.7
93.03471	40.8
99.04524	1.2
101.02453	1.9
121.03013	0.9
125.02445	2.2
127.84315	0.7
133.02968	1.4
134.03735	0.6
135.04543	3.3
137.02460	100.0
138.02826	1.9
149.02393	0.8
151.04034	5.0
154.54120	0.7
161.02481	3.8
162.02820	1.2
168.66037	0.6
179.03519	11.4
193.04996	0.7
197.04561	0.8
341.08710	1.8
486.19861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52493	2.2
57.03453	2.7
59.01386	79.7
63.91749	2.3
69.03462	4.3
69.37298	4.8
69.37695	9.4
71.01025	3.5
71.01389	39.3
71.05035	7.8
72.99297	4.2
73.02950	41.8
78.91093	2.2
81.41319	2.5
83.01381	5.3
83.05016	5.9
83.74731	2.6
84.10299	2.5
84.61613	2.5
85.02963	3.0
89.02444	5.4
96.95971	3.3
97.02943	3.1
99.73353	2.3
101.02458	22.0
109.02948	3.0
109.85194	2.9
113.02470	6.1
119.03481	3.8
131.03506	2.8
135.04527	10.7
137.28520	2.7
148.64893	2.5
149.04593	3.6
151.07666	7.8
161.02441	4.3
161.04585	8.2
163.07701	5.2
169.03888	2.5
179.03508	4.7
217.12589	2.6
233.11815	6.5
235.13319	4.8
243.57732	3.5
245.11703	6.7
247.13509	2.6
248.10573	7.9
251.12894	4.6
263.12869	66.1
264.13422	4.1
265.14404	15.5
281.14038	17.5
314.69495	2.5
330.14484	2.5
390.01443	2.6
405.60043	2.7
425.18320	2.7
485.20343	100.0
486.20602	4.5
521.74805	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	529.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	1.2
64.10699	1.0
68.15654	1.0
78.95943	2.7
79.66256	1.1
89.79192	1.1
94.41718	1.0
110.98569	1.1
118.91845	1.0
128.28302	1.0
128.65546	1.0
139.66795	1.0
167.01181	1.5
185.02231	1.9
196.08864	1.4
209.13414	3.9
214.87769	1.0
219.10120	1.2
224.08417	8.9
225.12891	3.0
238.09966	1.7
253.12372	46.9
254.12758	1.9
265.12366	16.9
266.12561	1.6
279.20261	2.5
279.23334	44.7
280.23764	2.1
281.23444	1.1
282.12622	4.1
283.13397	100.0
284.13794	3.8
447.25247	10.6
529.25861	7.3
551.64648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45521	0.9
65.56212	1.1
69.83350	2.4
75.12875	0.8
153.92415	0.9
196.08936	2.6
209.13448	5.2
224.08424	7.1
225.09323	1.2
225.12901	2.8
233.11832	1.5
252.11555	1.3
253.12369	51.6
254.12592	2.2
265.12378	19.0
266.12805	2.5
279.23386	4.8
282.12686	3.4
283.13409	100.0
284.13849	4.4
447.25159	1.9
448.06076	1.1
455.35345	1.4
529.25952	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	529.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43192	0.5
58.44514	0.6
65.01791	0.6
67.60912	0.5
98.21898	1.7
131.68054	0.6
149.44954	0.5
396.40457	0.7
423.32822	1.0
471.34842	79.6
472.34982	6.4
529.30524	100.0
530.31079	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	529.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62333	0.6
67.12150	0.7
68.22291	0.9
70.02496	1.7
70.02814	1.0
91.01569	0.7
95.12948	0.7
104.92370	0.7
118.42648	0.8
120.26843	0.7
135.39105	0.8
150.55847	0.9
170.92148	0.7
193.45227	0.8
199.38788	0.8
243.11711	0.7
259.30441	0.7
295.54651	0.8
347.87100	0.8
468.26114	0.8
471.34808	38.9
472.35095	2.1
479.28879	0.8
529.30676	100.0
530.30975	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	529.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.5
67.36106	0.5
71.40356	0.6
96.96020	0.5
105.00027	0.5
178.78386	0.5
184.31032	0.5
191.53027	0.6
243.60622	0.5
269.82269	0.5
343.31537	0.5
384.35779	0.6
407.33047	1.1
436.44263	0.5
471.34821	61.7
472.35135	4.2
529.30658	100.0
530.31097	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	529.307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20022	0.6
59.12125	0.6
59.16007	0.6
66.15891	0.6
69.15235	4.0
76.31278	0.5
85.96056	0.6
102.79923	0.6
124.22606	0.7
146.41911	0.6
162.82555	0.8
256.40759	0.6
320.95432	0.6
431.54715	0.6
471.34833	69.9
472.35233	6.0
524.99292	0.7
529.30676	100.0
530.30914	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	529.354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10633	0.5
59.01392	4.2
66.42104	0.5
69.89008	1.7
156.71434	0.5
190.97377	0.5
210.19734	0.5
238.59868	0.5
384.86319	0.6
407.33362	0.8
409.31277	1.5
441.33649	0.7
453.34225	1.3
471.34799	6.5
529.35693	100.0
530.35962	8.3
530.43286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3542
Annotation	Rubianol b
Peak:m/z	Relative Intensity
55.05052	0.4
59.01387	1.9
60.99318	0.4
61.98824	0.5
64.10513	0.4
69.89038	1.3
70.53792	0.3
96.40289	0.4
107.02728	0.4
125.01250	0.4
279.86630	0.4
337.80603	0.4
351.26926	0.8
353.28488	0.9
407.33469	1.1
409.31271	0.9
471.34857	12.8
472.35364	0.9
482.63193	0.4
529.35779	100.0
530.36206	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	530.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53826	0.6
60.46057	0.6
61.98824	2.1
66.44111	0.7
69.14491	4.1
78.95914	16.6
82.18133	0.6
84.60074	0.7
98.21869	1.0
100.31934	0.6
108.77628	0.6
124.44726	0.7
131.63297	0.5
152.99594	2.0
164.30269	0.6
168.04315	2.8
172.16202	0.7
224.06985	6.8
242.07993	1.8
255.23314	100.0
256.23706	3.8
277.22034	0.8
480.31021	58.7
481.31210	3.2
530.31183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68128	25.5
56.76263	29.1
59.01379	54.0
59.93177	30.0
61.98827	84.5
62.07622	27.0
69.85509	100.0
147.57741	27.6
213.58588	29.8
425.34332	28.2
473.32904	46.2
487.34152	41.8
531.28290	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50973	13.3
69.90619	30.3
103.91071	12.5
157.07063	13.6
169.28279	12.0
170.02226	15.5
483.60880	14.3
487.34460	100.0
514.08942	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	530.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07576	1.6
69.14890	10.5
74.76013	1.5
78.17417	1.8
83.87647	1.5
107.26624	2.2
116.92332	2.0
121.02979	4.8
147.04529	4.6
153.22884	1.6
159.36348	1.8
331.46954	1.6
361.87720	1.8
367.86099	2.2
471.34854	16.8
472.35202	57.9
473.35455	4.4
530.30988	100.0
531.30695	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84921	8.3
59.01384	24.2
59.28239	9.0
64.57535	7.8
69.12343	43.0
69.12753	21.3
71.01386	21.5
82.95419	13.9
83.01414	12.0
87.00874	25.9
96.96031	25.3
98.21822	18.1
100.59866	9.8
106.98172	8.9
109.02943	24.2
109.88961	8.8
111.00887	17.1
113.02422	11.1
115.00391	50.0
124.45440	9.0
135.04503	22.7
139.00385	18.0
149.02444	19.0
156.00679	18.4
157.01427	26.7
163.06212	9.3
174.01712	88.6
175.02477	63.3
175.03891	19.2
187.03931	10.7
193.05035	50.2
206.02310	11.1
207.06622	31.1
233.04549	27.6
246.53857	11.2
251.05525	13.1
289.07388	8.7
289.60666	8.9
307.08264	100.0
309.06003	14.0
388.89188	10.5
404.92764	12.1
427.07184	12.1
471.11221	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	531.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
64.41778	0.3
71.01399	1.5
72.99331	0.5
73.02956	0.5
85.02959	0.5
96.96031	0.8
101.02449	0.7
106.04264	0.3
109.02959	1.1
117.03476	0.4
118.82607	0.3
119.05060	0.4
121.02988	1.0
123.04584	0.4
125.28448	0.3
132.02190	6.9
133.02991	3.6
134.03757	56.4
135.04628	3.1
137.02463	3.9
139.04010	1.5
149.06100	16.7
150.03246	0.5
150.06407	0.5
160.01677	26.6
161.02470	3.8
175.04018	27.5
176.04459	1.1
178.02734	30.9
179.03523	1.9
192.04295	1.5
193.05075	100.0
194.05377	2.0
197.04539	0.7
207.06651	1.2
209.28333	0.3
217.05110	0.9
219.38593	0.4
221.04532	0.5
299.14804	0.4
309.92017	0.4
323.07733	4.5
337.09320	29.8
338.09628	1.0
341.64722	0.3
419.41928	0.4
531.15198	8.2
532.15741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21923	0.5
54.11050	0.5
55.09152	0.4
59.01384	3.0
70.71795	0.6
70.74062	0.5
71.01389	1.7
73.02977	0.5
83.01420	0.6
93.03485	2.2
96.10361	0.5
101.02433	1.2
109.02924	0.7
112.44807	0.5
112.97401	0.6
117.03471	2.0
118.04253	1.3
119.01399	1.5
119.05042	100.0
120.05373	2.3
121.02988	1.7
123.04527	0.9
133.02971	0.9
134.03761	0.8
135.04538	1.5
137.02457	4.0
145.02997	3.3
147.00928	1.1
148.01668	2.0
149.02449	2.7
150.03232	4.5
151.04031	1.0
161.02461	1.1
162.03224	1.1
163.04028	43.4
164.04799	3.2
165.02003	0.6
165.05565	1.0
175.00381	7.3
176.01166	19.7
177.05591	14.8
178.05905	0.8
179.03511	0.8
179.07132	0.7
190.02745	18.9
191.03516	21.9
192.03987	0.6
194.02231	2.0
205.05081	17.9
207.06679	0.9
208.03830	0.5
209.04559	4.6
211.87155	0.5
223.06232	2.7
251.05527	2.6
264.47708	0.5
281.06323	0.5
333.87555	0.6
351.01117	0.5
353.08817	27.7
354.09045	1.5
361.45056	0.6
367.10367	17.6
368.10730	0.8
531.15094	20.6
531.28156	2.1
532.15295	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92400	0.8
59.01389	10.5
67.09222	0.7
71.01384	2.6
72.99296	1.1
73.02928	3.8
76.54527	0.8
82.59736	0.9
85.02952	1.9
89.02489	1.3
96.96064	1.3
101.02444	2.2
106.04245	1.1
113.02476	1.5
117.03481	1.2
119.05033	1.0
121.02984	1.6
132.02193	8.0
133.02983	16.5
134.03758	100.0
135.04564	15.3
137.02457	8.3
139.04068	1.9
149.06102	18.8
150.03282	1.1
157.08626	0.9
159.04507	0.8
160.01682	37.6
161.02464	39.7
164.04823	1.1
175.04027	40.9
176.04428	1.2
177.05559	2.4
178.02740	45.4
179.03529	10.5
191.07214	1.4
192.04344	13.5
193.05084	86.8
194.05428	3.3
197.04639	1.7
207.06638	6.4
209.06087	1.0
221.04567	5.8
233.04691	1.0
235.06184	1.1
253.05011	5.6
323.07755	51.4
324.08078	1.6
337.09311	41.7
338.09711	1.9
471.26157	1.1
489.27206	1.0
531.15118	26.8
531.27899	11.8
532.15198	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38346	0.4
55.41246	0.4
58.71112	0.6
59.01389	8.4
69.14462	0.5
69.39423	2.5
70.56636	0.5
71.01396	3.1
72.99329	0.6
73.02939	2.2
83.01374	0.6
85.02948	1.2
89.02440	0.6
101.02457	2.4
109.02964	0.5
113.02462	1.6
117.03484	1.0
119.05068	0.5
123.04535	0.7
132.02187	18.8
133.02991	3.8
134.03764	18.9
135.04549	5.8
145.02905	0.6
147.04521	1.5
148.05293	0.8
149.06125	4.0
150.39912	0.6
155.93025	0.6
160.01680	75.3
161.02483	8.0
163.04060	0.5
173.92358	0.5
174.03220	0.9
175.04027	100.0
176.04703	4.0
177.05553	1.3
178.02763	2.8
179.03520	3.3
191.07150	4.8
193.05080	23.3
194.05420	0.8
197.04645	1.0
202.02699	1.3
207.06714	1.6
217.05096	6.4
221.04434	1.1
235.06123	7.2
251.05710	1.8
265.07257	2.3
281.06635	2.8
295.08304	5.3
323.08075	1.2
336.03610	0.6
337.09329	22.1
338.09714	1.0
352.97131	0.5
355.10641	0.7
471.26062	0.8
489.26990	0.9
531.15698	4.1
531.28442	6.3
532.28271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.3
59.01385	9.8
62.30282	0.3
70.78539	0.3
71.01397	2.6
71.42604	0.3
72.99316	0.6
73.02966	2.0
81.61128	0.3
82.95399	0.3
82.98557	0.3
83.01411	0.5
85.02961	1.3
89.02442	1.3
93.03465	0.6
100.11028	0.3
101.02459	2.0
113.02462	1.3
117.03482	29.9
118.03794	0.9
119.01366	0.3
119.03630	0.4
119.05038	8.0
121.02996	0.5
125.02519	0.4
131.05013	0.3
132.02098	0.5
133.02994	1.6
133.06641	0.6
134.03775	3.5
135.04541	4.3
137.02449	0.4
143.03519	0.4
145.02969	100.0
146.03308	2.5
147.04579	0.5
149.02472	3.1
149.06088	0.9
159.04555	1.0
160.01660	0.9
161.02461	3.8
161.04665	0.3
161.06100	1.0
162.02760	0.5
163.04030	9.9
164.04828	3.6
170.90944	0.3
171.10410	0.3
175.00443	2.1
175.03983	1.7
176.01146	0.4
177.01927	0.4
177.05620	0.8
178.02718	1.5
179.03558	1.8
179.07155	1.1
187.04007	3.8
190.02742	6.6
191.03510	0.9
192.04262	0.9
193.01547	0.4
193.05034	2.9
197.04611	0.5
201.11368	1.1
205.03217	0.6
205.05072	8.7
206.05823	1.1
207.03020	0.7
207.16893	0.3
208.03793	0.8
209.04669	0.4
213.02063	0.3
221.08270	1.4
223.06116	4.6
237.07637	0.4
247.06087	0.4
250.04868	0.5
251.05589	0.6
264.04657	0.3
265.07242	3.7
273.18570	0.4
281.06595	0.4
284.02966	0.4
285.03955	0.5
292.03818	0.7
295.08331	1.4
295.99683	0.3
307.08286	0.9
309.20682	0.5
323.07742	2.1
325.09201	2.8
326.09079	0.3
337.09402	1.5
351.05099	0.7
353.08884	1.9
367.10358	11.0
367.15002	0.6
368.10638	0.4
385.11496	1.3
471.26071	0.9
473.30655	0.3
489.27121	1.3
531.15399	6.3
531.28046	8.3
550.77563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35793	0.5
61.56315	0.5
71.01392	3.6
71.40617	0.6
72.99315	1.1
73.02949	1.6
78.24707	0.5
81.03451	0.6
85.02958	1.5
89.02480	1.3
96.96004	1.4
99.00894	1.3
101.02424	1.0
101.06091	12.3
108.02184	56.7
109.02971	36.2
109.04044	0.6
113.02445	0.6
119.05043	1.4
121.02955	0.9
123.00929	0.6
123.04534	0.8
125.02383	0.5
133.02968	1.0
134.03804	0.6
135.04549	4.2
137.02454	1.0
151.04018	1.6
152.01170	75.4
153.01926	3.1
160.01689	0.7
161.02501	3.0
161.04607	0.8
163.04008	3.0
177.01913	0.7
179.03493	2.4
195.75987	0.5
201.59311	0.4
235.02454	1.5
235.83675	0.5
355.14249	0.7
369.04623	0.6
399.12744	1.1
414.48206	0.6
487.18286	0.7
531.17242	100.0
532.17590	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	531.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52087	0.4
57.03438	1.2
58.96999	0.4
59.01385	5.6
59.83028	0.4
61.98801	0.5
64.53453	0.4
69.15715	2.6
71.01375	0.7
72.99300	0.8
82.95415	0.7
92.77460	0.4
99.04527	0.7
102.18029	0.4
113.02372	0.4
125.12948	0.5
133.02928	1.1
135.04550	2.7
161.02457	3.7
162.02728	0.6
179.03493	1.3
282.09009	1.5
296.10596	3.2
297.11337	22.7
298.11807	1.4
311.12878	11.2
312.13690	60.4
313.14093	3.4
326.15247	1.1
327.16031	100.0
328.16330	4.5
471.20285	0.5
472.92896	0.4
499.32849	0.6
530.35944	1.7
531.22449	37.6
531.35907	2.8
532.22546	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16297	4.1
59.12020	3.5
61.98823	14.7
65.87564	3.1
69.67112	7.3
69.67497	6.1
70.95681	3.4
84.02196	3.6
99.68716	3.5
102.12823	3.4
104.90096	3.8
126.49847	3.6
128.53104	3.6
169.51126	3.2
195.07747	3.6
278.22006	4.6
289.18198	3.3
379.27774	3.6
393.14557	3.4
451.71317	3.5
468.65219	3.6
471.34760	53.6
472.35300	7.9
473.35693	9.7
530.01257	4.1
530.30847	3.9
531.30444	100.0
532.30646	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	531.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
55.66628	0.7
57.03458	6.4
58.96093	0.6
59.01385	78.5
66.74458	0.7
69.03481	2.1
71.01401	2.2
73.02952	1.0
83.05041	1.4
85.02991	1.0
95.05035	31.9
98.03732	4.4
98.22659	1.2
99.04516	5.2
100.04840	0.7
101.02460	1.5
107.05118	0.7
107.69479	0.7
108.01869	0.7
108.17481	0.7
109.02921	1.1
111.19803	0.7
113.06100	91.6
114.06463	1.2
120.02568	0.8
125.02448	4.1
126.02814	1.1
133.03029	1.3
135.04572	4.1
135.08194	1.0
161.02435	4.1
161.04587	2.4
162.05002	0.8
179.03563	1.5
225.05212	0.7
239.07158	1.3
240.07521	1.0
267.06610	0.8
279.17404	1.3
297.18570	1.7
299.20090	0.9
309.18573	4.0
311.20245	3.1
313.21811	2.1
321.18604	3.4
323.20154	1.0
325.21902	0.9
327.19699	20.6
327.23206	1.0
328.20190	1.0
329.21133	1.6
337.21808	1.3
339.19662	15.6
341.21152	1.8
343.22763	11.8
355.22693	6.2
357.24619	1.0
359.22302	31.9
360.22379	1.1
372.71671	0.8
373.23782	3.9
375.25406	13.1
376.25671	0.9
385.44800	0.8
401.23309	2.4
415.24542	3.8
417.26492	100.0
418.26871	5.1
435.27069	0.9
461.25623	2.4
471.31015	3.2
489.32220	2.1
513.32166	1.3
531.33350	35.9
532.33661	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	531.3335
Annotation	Quadrangularic acid G
Peak:m/z	Relative Intensity
57.92046	1.0
59.01382	5.4
67.00021	1.0
69.22699	2.6
69.23101	3.8
71.05025	1.7
73.02953	1.5
78.76291	1.0
82.25024	1.3
93.28288	1.2
95.76050	1.2
98.22616	2.1
178.19839	1.0
363.27209	1.4
409.30942	1.6
437.30774	2.3
471.31219	2.1
513.32349	10.3
531.33325	100.0
532.33594	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	532.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61813	0.4
51.21106	0.3
52.77511	0.4
59.01387	18.6
61.98836	100.0
62.45912	0.4
71.01387	4.5
72.99319	0.8
73.02953	9.2
73.03363	0.5
83.01382	2.3
85.02979	0.4
87.00877	0.5
89.02466	1.9
101.02457	7.9
109.02982	0.5
113.02468	2.5
113.06110	0.4
117.03532	0.4
119.03530	0.7
119.05004	0.4
121.03062	0.5
122.06236	0.4
123.04556	0.5
125.02505	0.6
131.03532	1.0
133.02989	1.0
135.04549	5.6
136.04851	0.6
143.03551	0.7
145.02991	0.6
149.02507	0.6
149.04565	0.7
161.02498	3.0
161.04530	2.1
162.02782	0.5
179.03554	1.5
197.04607	1.0
203.09099	0.4
240.16852	0.4
241.35085	0.4
329.17938	0.6
359.22385	0.4
375.25375	4.9
399.25662	1.3
488.26254	1.3
489.32291	9.4
491.28998	0.4
531.28363	1.2
532.28412	2.7
533.30048	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	532.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.4
58.12244	1.1
59.01389	23.8
60.01689	1.5
61.98837	100.0
66.19987	1.3
70.07359	2.3
70.33685	1.2
71.01392	4.4
72.99323	2.6
73.02953	12.8
83.01433	1.5
89.02469	2.7
95.05063	2.3
98.21787	1.2
101.02476	6.5
104.79585	1.2
109.02946	1.6
113.02451	2.4
113.06079	2.0
116.92899	2.4
123.04470	1.3
133.02971	2.2
134.03795	2.1
135.04553	13.3
145.02997	2.9
149.02467	1.8
161.02464	7.3
161.04587	2.3
166.47185	1.2
175.04005	2.1
179.03499	3.8
187.07732	1.4
197.04584	1.9
223.46902	1.2
293.10257	1.9
302.45581	1.5
314.15219	1.5
329.17593	2.6
339.19711	1.8
343.22922	1.4
353.06903	1.5
359.22424	1.4
375.25491	14.1
379.22836	1.4
399.25415	3.1
472.01273	1.4
489.32233	32.5
490.32663	3.1
532.28333	8.2
533.23254	1.2
533.30103	8.4
538.49670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.9821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58690	0.3
59.01384	67.7
71.90739	0.4
90.97134	0.7
93.65895	0.3
98.21893	0.8
132.98215	1.4
134.97105	0.7
152.94577	0.4
174.99261	33.2
175.99596	0.6
191.05652	1.2
192.95889	1.3
194.95551	1.0
217.00310	100.0
218.00604	1.6
262.04282	0.4
276.98141	0.4
292.11237	0.4
292.95822	0.6
294.93817	0.6
332.98318	0.6
336.97192	0.6
374.99246	64.8
375.99789	1.7
389.96310	0.3
434.92517	0.3
452.92844	0.3
455.08301	0.4
532.98126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.8
58.99604	7.2
59.01384	100.0
64.24010	2.6
65.52604	3.0
67.34250	3.0
71.01386	20.2
71.43274	3.7
72.99311	27.9
73.02953	7.2
73.98321	6.9
74.99101	11.7
75.00873	5.8
75.01721	2.8
77.14099	2.7
85.02962	5.0
87.00881	11.1
88.98858	4.0
89.02442	10.8
91.05524	4.4
93.03461	5.2
96.96010	12.5
99.04465	4.0
101.02446	12.4
102.98618	34.7
105.03439	4.7
108.02176	3.4
109.02964	9.7
113.02441	8.4
119.05022	12.1
121.02952	8.3
123.04516	8.5
128.03564	3.5
132.02191	3.7
133.02975	39.0
134.03790	15.6
135.03038	15.9
135.04535	66.2
137.02441	8.4
137.06123	6.9
145.02942	6.9
147.04530	12.1
149.02498	5.1
149.06105	5.6
150.03224	6.8
151.04013	39.9
153.01566	2.7
161.02469	68.2
161.04539	4.9
163.03999	19.1
165.05598	9.5
173.02461	4.7
175.04010	10.0
177.01939	8.5
179.03528	22.0
181.05093	7.3
187.04016	4.1
190.02699	5.8
191.03516	10.4
193.01428	2.9
193.05025	6.3
193.06615	3.6
197.04434	3.7
205.05118	3.4
207.03021	8.1
209.06174	6.4
209.16960	2.8
211.04016	13.1
211.07466	5.8
219.03026	4.4
221.06152	6.3
223.07739	3.4
225.04027	48.7
235.02466	3.9
237.05630	6.6
239.03389	5.7
239.07158	5.9
240.04269	5.2
241.05283	4.7
248.04785	3.2
249.05745	5.5
253.03482	47.8
263.03384	3.2
265.05035	16.7
266.05814	4.8
267.06638	11.1
281.02979	6.2
283.04935	36.5
287.09250	4.5
293.04413	8.9
297.04291	4.2
297.07751	4.0
306.07663	4.4
309.03931	6.5
311.05719	6.7
327.16397	5.5
353.02884	3.3
353.06586	5.7
371.07565	9.6
387.07315	17.5
397.05472	5.0
413.21866	3.9
415.06577	10.7
431.22974	5.5
438.44958	3.1
443.05743	4.0
447.13007	4.7
473.23685	4.9
497.61139	3.3
533.07324	7.0
533.19342	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94980	0.2
59.01383	1.3
71.01365	0.2
72.99315	3.7
89.03970	0.4
91.01899	1.1
91.05556	0.4
93.03481	0.3
106.04263	0.2
107.05059	1.5
108.02183	22.7
109.03011	1.2
111.30357	0.2
115.05530	1.0
117.03465	0.9
121.02968	0.4
121.19548	0.2
122.29353	0.2
123.04538	15.6
124.04933	0.2
129.03459	0.4
133.03023	0.3
134.03760	6.0
135.04539	63.6
136.04872	1.2
141.03500	0.8
145.02962	1.8
147.04538	1.9
149.02426	1.0
151.02950	0.2
151.04021	0.8
157.02968	2.0
158.03758	1.1
159.04529	3.7
160.01727	1.3
161.02472	0.8
163.04076	0.3
165.05559	0.4
173.02437	0.9
174.03189	0.2
175.00439	0.2
175.04033	2.5
176.01274	0.2
179.03528	4.7
179.05104	0.4
180.03935	0.3
180.05728	0.2
184.01747	0.4
185.02452	40.6
186.03220	9.3
187.03912	0.6
190.02719	0.6
191.03497	0.4
191.05084	0.5
192.05798	0.7
193.06598	0.2
193.13123	0.2
195.04515	0.3
197.04547	2.8
199.04102	0.4
201.01996	0.6
203.03450	0.3
204.05818	0.3
205.05083	0.6
207.04578	0.6
208.05298	1.9
209.06116	0.9
210.06895	0.4
211.04099	0.4
213.02007	0.6
219.04547	2.5
220.05295	3.2
221.06052	0.7
222.06696	0.2
223.04039	0.7
223.06042	0.3
224.04753	0.4
229.01425	0.9
231.04539	0.3
232.05276	1.0
233.06012	0.3
235.04025	3.0
235.06190	0.3
236.04782	4.4
237.05563	2.1
238.02716	0.3
238.06436	1.2
239.03624	0.3
247.04008	4.4
247.06406	0.3
248.04787	8.6
249.05511	2.0
250.02766	1.1
250.06386	0.4
251.03476	1.5
252.04274	0.4
259.03857	0.3
260.04831	2.5
261.05521	0.5
263.03528	3.4
263.06943	1.4
264.04288	8.2
265.05035	6.3
266.02606	0.3
266.05804	3.9
275.03494	4.5
275.06219	0.3
276.04272	8.9
277.04996	3.1
278.02252	0.3
278.05566	0.3
279.03021	3.2
279.06403	0.4
280.03906	0.3
280.07471	0.2
281.08188	1.5
290.99963	0.3
291.03033	4.3
291.06616	1.7
292.03799	16.0
293.04568	16.7
294.05331	9.5
294.08670	0.4
295.05911	0.8
303.02939	2.0
304.03824	3.8
305.04413	1.3
307.06137	6.7
308.06577	0.4
309.07709	14.9
310.08026	0.5
319.02451	2.9
320.03268	16.9
320.69669	0.2
321.04010	1.7
335.05624	100.0
336.05978	4.3
339.05051	0.6
353.06683	68.4
354.07037	2.9
367.10281	0.4
489.11838	0.3
525.75153	0.2
533.10706	8.8
534.04010	0.2
534.11340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96794	0.5
55.81706	0.5
57.03456	0.9
59.01390	3.1
59.63664	0.5
64.04610	0.5
71.01407	0.5
72.99314	1.8
81.03519	0.6
84.17217	0.5
91.01920	0.9
93.03450	1.3
101.02454	0.8
108.02190	6.8
109.02964	85.4
109.16645	0.6
110.03278	1.4
113.96933	0.5
115.05538	1.9
117.03511	0.7
121.02950	1.3
123.04554	4.3
129.01784	0.5
129.03473	0.8
133.02953	2.5
134.03754	2.5
135.04533	15.1
136.04823	0.7
137.02452	2.4
139.21782	0.5
141.03474	1.2
145.02971	4.9
147.04543	3.1
149.02490	5.0
151.04015	1.1
157.02980	4.0
158.03728	2.1
159.04529	5.6
161.02441	2.8
161.04578	1.0
163.04012	0.8
171.04387	0.5
173.02461	5.5
174.03239	1.4
175.04007	2.3
179.03481	2.4
183.08138	0.6
184.01711	0.7
185.02457	63.4
186.03236	14.9
187.03954	1.1
193.05048	0.9
193.06625	2.1
195.04565	1.4
196.05299	1.2
197.04504	1.1
197.06119	1.4
199.04163	0.7
201.01881	1.3
207.04475	0.9
208.05315	1.3
209.06091	5.8
211.04091	1.1
211.07658	1.3
213.05582	1.9
219.04565	1.3
220.05287	2.1
221.06076	7.3
222.06885	1.0
223.04010	2.3
223.07599	1.3
224.04767	4.9
225.05583	11.5
227.03513	0.6
229.01456	4.7
231.04549	0.7
232.05260	1.7
233.06039	0.7
235.04076	2.0
236.04797	2.1
237.05550	3.2
238.06366	1.8
239.03429	1.0
239.07169	6.0
247.03999	1.9
248.04825	6.6
249.05598	18.7
250.06348	3.3
251.03506	9.6
251.07179	2.2
252.04306	10.7
253.04987	2.7
260.04773	2.2
263.03516	1.8
264.04272	2.5
265.05066	7.4
266.05875	5.9
267.06622	17.0
275.03531	2.1
276.04254	6.5
277.05078	48.4
278.05615	3.6
279.03006	52.8
280.03757	24.8
281.04242	1.6
291.02960	1.0
292.03802	3.8
293.01230	0.8
293.04581	26.3
294.05377	6.1
295.06128	55.2
296.06485	2.0
297.07614	0.6
303.03018	1.3
304.03726	1.1
307.06183	1.2
309.07785	3.2
311.05505	1.9
319.02502	1.2
320.03137	3.4
321.04065	71.4
322.04425	2.4
335.01767	1.0
335.05634	15.5
339.05106	64.1
340.05417	2.6
350.11017	0.6
353.02457	0.7
353.06726	13.2
533.10944	100.0
533.28894	2.2
534.11230	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73772	0.9
53.01063	0.8
55.75127	0.9
59.01383	29.2
61.39877	1.0
62.12999	0.9
66.60112	1.0
69.03380	1.1
69.21386	1.9
69.21790	5.4
71.01390	3.1
73.02953	2.2
85.02965	2.0
95.05046	0.9
101.02483	1.6
108.02200	4.9
112.85966	1.0
113.02444	1.3
117.03493	1.9
119.05032	3.0
121.02947	3.1
123.04558	6.0
132.01242	1.3
132.02191	16.2
133.02988	16.4
134.03769	28.1
135.04546	28.1
136.05316	11.1
137.02431	1.8
142.82555	0.9
149.06078	4.4
149.39973	0.9
151.04004	2.2
151.07733	4.8
151.08630	0.9
160.01685	82.3
161.02475	42.9
162.02995	1.1
175.04034	100.0
176.04491	3.0
177.02063	1.1
178.02757	2.6
179.03535	6.5
185.02467	1.3
193.05104	19.2
194.05719	2.8
195.06656	63.3
196.07007	1.5
205.24281	1.1
209.08298	1.4
217.05035	1.8
221.04535	2.0
228.72186	0.9
293.04303	1.1
304.31415	0.9
323.07773	22.6
335.05603	3.7
337.09335	65.0
338.09598	3.4
353.06400	1.7
501.14114	3.3
533.16718	77.0
534.16785	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44853	0.8
59.01388	1.7
70.49319	1.3
70.49632	1.0
71.01403	1.1
85.02959	9.0
87.00905	1.4
93.03480	2.4
104.27293	1.0
110.33656	0.9
111.04532	1.2
115.06303	0.8
127.04030	2.4
173.04578	1.2
183.69563	0.8
191.05635	100.0
192.05948	1.6
345.18668	1.0
492.80780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09055	0.6
59.01386	47.0
60.77080	0.5
67.01472	0.6
67.14013	0.5
69.44228	3.0
71.01381	8.3
83.01358	0.6
85.02957	1.8
89.02455	7.7
93.03510	0.6
95.01421	0.8
101.02454	5.5
110.48102	0.6
113.02452	2.9
117.02646	1.1
117.03477	20.7
119.03589	3.4
119.05032	14.0
133.06599	1.8
135.04533	1.2
145.02971	76.4
146.03328	1.7
148.52887	0.6
161.06152	4.1
163.04036	9.4
163.11336	3.7
177.05650	1.1
180.03670	0.6
205.05101	3.2
207.10312	8.4
208.10541	0.7
235.06259	1.0
265.07236	1.7
369.15579	1.4
387.16638	100.0
388.17050	5.8
461.54944	0.6
473.18060	1.0
533.20361	29.6
534.20898	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	533.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71267	1.3
57.03454	100.0
58.32893	1.2
59.01389	10.3
62.54707	1.4
63.36908	1.3
64.55122	1.3
72.99316	2.4
93.02168	1.2
99.04528	71.3
101.02454	27.9
108.02172	1.5
109.02948	8.9
123.04505	2.3
133.02994	3.3
134.03831	3.1
135.04533	15.7
150.69803	1.3
160.01674	1.7
161.02420	4.8
161.04578	81.7
162.04880	1.8
177.01945	1.6
179.03485	4.4
185.02435	5.6
193.04974	2.6
197.04538	2.0
213.83006	1.4
221.06068	1.7
222.06943	1.5
237.05571	1.7
242.09523	2.7
248.05042	1.9
249.05495	2.5
251.03470	1.5
257.11929	1.6
264.04214	2.6
265.05054	3.9
266.05746	3.0
267.06558	2.8
270.08978	3.0
277.05060	3.2
279.03107	3.1
281.04480	2.9
285.11237	3.1
293.04495	4.2
294.05386	6.5
295.06094	3.3
298.08453	2.8
309.04153	1.9
313.11121	2.1
319.02515	2.1
320.03027	1.4
321.04089	5.8
325.10712	3.3
326.07965	3.2
329.10260	1.6
335.05576	6.4
338.04352	3.5
339.05249	3.1
341.10419	19.1
344.12698	2.8
353.02933	5.4
353.06674	28.3
356.12628	6.7
359.14935	5.9
371.10632	2.6
371.15033	32.0
372.15506	3.1
489.07980	1.5
533.11523	8.3
533.29877	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59461	0.2
59.01387	1.7
59.57968	0.2
64.34759	0.2
71.01368	0.2
74.02618	0.2
82.99963	0.2
104.51844	0.2
114.05160	0.2
116.71033	0.2
122.83989	0.2
150.06847	0.2
162.06929	0.7
163.64365	0.2
201.09258	0.3
211.11133	0.2
213.09251	0.7
214.09874	0.3
229.12361	10.6
229.15976	0.4
230.12831	0.4
233.80714	0.2
241.12489	0.2
255.13950	0.6
256.14728	0.7
269.15442	0.6
270.16153	0.3
283.16992	1.1
284.17737	0.2
285.18640	100.0
286.18994	4.4
311.16617	3.3
329.17657	4.0
489.25668	0.3
533.23987	39.0
534.24377	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14219	0.2
57.03451	6.0
59.01386	5.2
69.25360	0.3
69.25758	0.7
71.01390	2.7
71.94764	0.2
72.99308	0.3
73.02955	1.3
81.25456	0.2
83.01403	0.7
85.02969	1.7
87.00913	0.2
89.02449	0.2
89.03967	0.3
95.01414	0.3
96.04607	0.2
96.96026	0.3
99.00890	0.2
99.04527	4.1
101.02449	2.8
108.02230	0.2
113.02445	0.7
117.03480	30.2
118.03803	0.4
119.05041	9.5
133.02956	0.4
135.04562	1.4
145.02966	100.0
146.03290	1.9
160.01649	0.4
161.02599	0.9
161.04582	4.0
162.81148	0.2
163.04021	11.6
164.04388	0.2
171.10365	0.2
175.04021	0.3
179.03499	0.6
189.12866	0.2
253.04631	0.4
266.05835	0.2
307.08240	0.3
326.11383	0.2
329.17712	0.4
329.22983	0.2
341.10495	0.9
353.02740	0.2
353.06989	0.9
356.12784	0.4
359.14911	0.3
371.15036	1.3
396.52081	0.2
473.27753	0.3
491.28775	0.4
514.36066	0.2
533.23871	44.9
534.24329	3.0
536.61908	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47137	0.2
55.37408	0.2
57.03452	0.3
59.01387	1.6
69.03461	0.2
69.51229	0.9
74.66886	0.2
78.24656	0.2
82.95434	0.2
95.24123	0.2
99.04536	0.5
101.02483	0.3
101.85941	0.2
109.02979	0.3
114.60205	0.2
132.02234	0.2
133.02969	0.6
135.04527	1.1
161.02484	1.0
179.03470	0.4
200.46355	0.2
208.82346	0.2
216.07957	0.6
217.08690	1.4
229.08734	1.1
230.09579	1.3
231.10287	2.6
243.10291	3.2
244.10907	0.6
271.09927	0.4
275.99454	0.2
285.11353	0.2
297.14847	0.5
298.12198	0.2
299.12915	2.0
299.16592	1.5
313.14456	2.1
314.15271	1.7
328.16757	0.6
329.17615	100.0
330.17960	4.8
346.14209	0.3
348.84494	0.2
353.06641	0.2
389.49051	0.2
473.21780	0.3
503.22906	0.2
519.12042	0.2
533.23981	19.4
534.24200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99410	0.2
55.28449	0.3
57.03453	0.2
59.01391	1.6
59.36413	0.3
60.97340	0.2
69.19842	1.0
69.20250	0.4
71.05035	0.4
73.02961	0.7
81.03484	0.9
83.05034	0.3
99.04499	1.5
133.03020	0.3
135.04561	0.7
139.07692	1.1
151.07652	0.7
161.02521	0.7
165.09334	0.3
177.09290	0.4
179.03549	0.3
213.09290	0.3
214.10033	7.3
215.10765	2.7
225.09192	0.4
227.10785	0.3
241.12450	0.5
255.13939	2.4
256.14648	0.8
257.15479	0.6
259.09735	0.4
267.14139	0.3
269.15369	0.4
280.11166	0.5
281.11874	0.6
283.13440	0.5
283.16785	0.3
285.15009	1.1
285.18637	1.6
295.13449	1.5
296.14169	3.0
299.13089	0.4
299.16556	0.9
301.18140	3.8
302.18121	0.3
311.16559	3.3
313.14438	1.0
327.16238	0.4
328.16541	0.3
329.17612	100.0
330.17966	5.1
406.69714	0.2
442.38303	0.3
533.23981	21.4
534.24341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3486
Annotation	Agosterol F
Peak:m/z	Relative Intensity
50.92268	2.1
56.95906	2.2
59.01385	100.0
61.27202	2.2
70.57941	4.6
74.04696	2.1
85.21521	2.5
133.02888	3.1
135.04567	3.4
136.23601	2.4
177.52429	2.9
304.54630	2.4
342.49448	2.7
397.17316	2.8
472.74249	2.6
473.32669	58.6
474.33118	5.0
516.11261	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	533.349
Annotation	Agosterol F
Peak:m/z	Relative Intensity
55.82706	0.1
59.01387	100.0
60.01722	0.5
61.98840	0.2
69.27213	0.8
70.30315	0.1
73.06167	0.2
75.34953	0.2
82.49371	0.1
86.82954	0.2
98.21904	0.3
112.56950	0.1
135.04565	0.3
161.02505	0.2
259.63010	0.2
441.30099	1.4
453.30594	0.6
473.32794	5.0
473.39258	0.3
474.33258	0.3
500.12292	0.2
533.35376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90374	0.7
59.01388	4.4
61.98834	3.3
71.01391	1.0
71.41077	0.8
72.99320	10.2
73.02972	0.7
79.93417	0.7
97.14692	0.5
101.02436	1.0
109.02954	2.8
115.07661	0.9
116.92917	0.7
119.04989	1.4
121.02966	1.1
123.04513	2.1
131.03844	0.7
132.02185	2.7
133.02971	36.1
134.02512	2.0
134.03706	1.5
135.04546	15.9
136.04890	1.2
139.04031	1.2
144.04541	1.0
148.07697	1.0
149.02449	3.7
150.02977	0.7
160.01707	2.5
160.04076	0.6
160.07675	3.5
161.02464	100.0
162.02783	2.2
175.04042	2.0
179.03535	7.0
185.02530	1.3
197.04608	5.0
204.06682	6.2
222.07732	6.7
226.83881	0.7
244.11066	0.9
254.04617	3.5
255.05370	11.9
256.06155	2.3
266.04578	5.0
267.05304	7.2
268.06177	11.7
270.04181	1.9
283.04865	10.9
284.05624	2.3
285.06638	0.8
294.04156	5.1
295.04865	8.7
296.05673	29.4
299.16513	2.4
310.07492	1.1
311.04541	1.8
312.05270	5.5
313.05966	8.4
315.15952	1.3
321.03922	1.0
326.06790	4.1
330.18439	0.8
331.19183	61.5
336.05795	1.1
339.03888	1.2
340.04666	18.1
341.05219	0.8
345.05722	0.7
354.06268	2.4
357.05011	9.0
359.07730	3.9
372.07101	63.1
372.11066	13.0
373.07504	3.2
398.05191	1.4
533.30493	0.8
534.10638	4.5
535.25555	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	534.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94916	0.5
69.12683	3.7
78.95913	7.2
80.38721	0.5
116.49500	0.5
138.92093	1.0
140.01183	3.4
152.99658	0.7
188.44124	0.6
196.03813	1.8
214.04935	2.9
253.98341	1.0
261.21939	0.5
279.23328	100.0
280.23639	4.6
299.36197	0.6
337.19266	3.6
386.99408	0.5
476.27850	25.7
534.23804	13.6
534.31659	1.0
535.24048	0.6
547.90863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54590	0.9
70.77120	0.9
71.19767	0.9
78.95911	28.2
86.21763	0.9
100.00604	0.9
108.60201	0.9
122.00207	0.9
135.04555	1.7
140.01221	6.5
152.99600	1.8
157.68927	1.0
186.81093	0.9
196.03802	11.0
214.04950	2.3
279.23315	100.0
280.23639	3.3
337.19293	2.5
366.27139	2.6
476.27878	62.2
477.28284	3.1
534.23859	15.6
534.31500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0889
Annotation	Sagecoumarin
Peak:m/z	Relative Intensity
55.16637	0.3
59.01390	2.2
64.13436	0.4
66.47516	0.4
69.15480	2.4
70.91945	0.3
71.01392	0.8
72.99310	4.3
74.93275	0.4
77.03976	0.5
88.29019	0.4
89.02464	0.4
89.03977	2.0
94.88731	0.5
95.05051	0.4
104.54066	0.4
104.94006	0.4
105.03474	3.9
107.05003	0.5
109.02959	1.8
117.03461	1.2
119.01418	0.4
119.05019	0.8
123.04541	2.5
132.02188	0.5
133.02971	16.4
134.03773	0.9
135.04544	14.5
135.31435	0.4
145.02968	2.8
146.03244	1.0
147.00865	1.3
147.04527	1.3
149.02446	1.7
151.04016	1.2
159.04532	0.9
160.01668	0.8
161.02460	41.2
162.02878	1.2
163.00424	1.1
164.04329	0.5
172.40582	0.4
175.03951	0.5
177.01945	100.0
178.02293	2.3
179.03519	9.8
197.04567	6.1
221.04597	1.1
237.13785	0.4
337.03540	0.9
355.04541	3.8
355.08322	0.7
357.06122	0.7
359.07767	10.1
360.08005	0.6
387.16559	1.6
388.16989	2.7
389.17224	1.5
534.20319	0.8
535.08795	3.9
535.21124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	0.5
61.98817	0.5
65.21342	0.4
69.14932	0.5
69.75554	1.4
72.99317	61.9
74.17342	0.5
91.05524	0.6
93.03467	0.5
98.22627	0.6
107.05048	2.0
109.02952	3.7
120.00314	0.5
121.03001	0.7
122.03789	0.5
122.06134	2.3
123.04540	25.7
129.86208	0.5
130.06630	0.5
132.08183	1.2
133.02980	1.0
134.03763	2.8
134.06104	0.9
135.04546	51.4
136.04860	1.0
144.08223	1.3
151.04044	1.6
161.02446	0.5
162.48717	0.4
172.07655	0.9
179.03514	33.8
180.03751	1.1
185.02356	0.7
196.65816	0.5
197.04573	100.0
198.04918	2.0
212.10748	0.5
213.11574	0.8
215.05621	0.8
218.27779	0.4
224.14444	1.7
240.13882	1.8
249.10490	0.6
251.11842	1.7
252.12683	2.7
263.11658	0.5
265.13501	1.8
267.06653	0.6
267.15060	6.0
277.09790	0.8
293.04913	0.8
293.13000	9.7
294.13293	0.6
295.05789	0.5
311.14038	4.2
321.04105	0.8
323.61563	0.5
331.19037	1.9
337.12009	4.9
355.13031	20.4
356.13336	0.9
496.09103	0.6
533.59692	0.6
535.17200	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1824
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
52.23456	1.0
59.01397	2.3
69.09921	1.9
69.10322	6.0
72.99316	2.2
86.86699	1.1
89.54568	1.0
94.61055	1.2
107.05047	1.8
108.02268	2.2
109.02967	12.4
111.77071	1.1
120.02189	2.1
121.02979	1.7
122.03733	2.0
123.04538	3.9
126.75062	1.0
129.50247	1.1
131.58470	1.1
133.02948	2.7
134.03770	14.8
135.04546	50.0
136.01678	3.8
136.04865	1.6
137.02452	2.2
138.03278	1.0
145.02954	2.8
146.03761	5.9
147.04514	1.9
148.01674	14.1
149.02396	3.6
149.06070	7.1
150.03218	5.5
151.04013	6.5
153.05583	15.9
161.02461	7.6
161.06091	2.7
162.03238	6.1
163.04031	43.6
163.05397	2.5
164.04807	6.4
165.05602	5.1
166.02730	4.7
173.02434	1.7
174.03264	2.0
175.03978	5.3
177.01929	3.5
178.02718	4.6
179.03511	7.9
179.07140	9.7
180.04250	2.2
181.05072	19.9
191.03485	1.3
192.04291	4.6
193.05084	21.3
197.04573	4.3
207.06668	6.0
211.06149	13.7
213.91367	1.1
241.05077	1.6
254.05882	16.3
255.06503	5.1
265.05179	1.3
267.06656	3.3
268.07343	2.6
269.08209	34.5
269.10556	1.2
270.08954	8.5
279.91180	1.1
281.08026	2.0
283.06259	1.3
283.09695	4.1
284.10550	11.5
285.11353	8.4
293.04526	2.7
295.05954	2.5
298.08463	6.4
310.08490	3.3
313.10870	15.9
328.09552	7.7
343.11890	100.0
344.12112	3.5
355.11893	1.8
373.12991	75.1
374.13086	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	535.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85039	1.0
55.00522	1.3
59.01383	4.5
67.39037	1.1
69.42876	5.2
71.01392	2.1
72.99310	3.9
86.48556	1.2
108.02174	3.2
109.02970	41.2
121.02940	1.5
122.03711	2.0
123.04533	7.1
133.02950	3.8
134.03748	9.8
135.04539	55.3
136.01666	16.3
136.04848	1.3
137.02437	3.5
138.03264	1.3
145.03015	2.7
146.03751	8.4
147.04482	1.7
148.01669	7.4
149.02443	4.0
149.06076	4.0
150.03214	5.2
151.04027	25.7
152.04535	1.3
153.05597	7.6
154.56161	1.2
160.01688	1.6
161.02487	11.0
161.04611	1.7
161.06081	4.2
162.03226	4.3
163.04019	15.5
164.01141	2.5
164.04773	8.0
165.01941	2.1
165.05602	3.0
166.02724	34.3
167.03427	2.7
174.03284	1.6
175.04028	4.7
177.02002	2.5
177.05524	1.6
178.02768	9.3
179.03526	10.1
179.07169	18.2
181.05086	100.0
182.05348	1.9
192.04327	2.6
193.05064	22.5
194.05424	1.2
197.04582	4.9
207.06625	3.8
211.06155	19.9
254.05876	11.2
255.06573	4.1
265.04935	1.4
266.05933	1.5
267.06570	3.7
269.08200	22.9
270.09003	6.1
284.10486	5.4
285.11206	5.9
293.04568	3.9
295.06259	2.1
298.08481	4.4
310.08405	1.8
313.07483	1.8
313.10770	8.1
323.07715	4.8
328.09570	4.4
343.11890	65.0
344.12207	2.8
373.05212	2.6
373.12994	63.3
374.13315	3.4
459.23297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15334	0.5
54.74231	0.6
59.01382	1.6
59.59455	0.5
61.98839	3.2
72.99317	58.9
80.41289	0.6
91.52161	0.5
92.55743	0.6
97.06612	4.0
107.05003	0.6
109.02972	0.7
122.03740	1.9
123.04540	2.5
123.08158	1.9
132.02205	2.0
133.02975	30.0
134.03780	5.8
135.04547	8.1
137.02475	3.4
146.03732	1.0
147.04556	1.1
150.03264	3.5
151.04031	0.8
159.04468	0.6
161.02464	100.0
162.02824	3.0
163.07602	0.6
172.05322	1.5
173.06044	1.7
174.06970	0.7
175.03943	1.0
175.07646	1.9
177.12878	2.6
178.02740	8.0
179.03516	6.3
179.10808	1.0
185.06108	1.3
186.06909	0.8
187.07623	7.1
188.08659	0.9
189.09218	1.0
196.03784	1.2
197.04568	1.3
199.07672	1.5
200.08508	0.9
201.05630	0.7
201.09256	3.8
211.07402	0.7
213.05583	1.8
213.09227	3.0
219.10210	0.6
223.07790	1.6
225.05756	1.1
227.07127	2.1
227.10788	0.7
229.05177	1.8
231.10233	1.2
239.07144	1.2
239.10890	0.9
241.08693	4.6
242.09563	2.1
243.10234	0.8
251.10738	1.1
255.10489	1.3
256.11014	0.9
267.10620	0.9
267.13998	2.2
269.15576	0.7
275.09213	1.8
277.10925	1.3
281.15466	3.7
282.12769	0.8
283.16974	1.2
285.14929	5.4
293.15485	1.9
299.16470	9.3
311.16519	5.8
329.17590	5.5
331.19128	3.2
337.14252	1.1
355.15497	6.3
373.16586	60.6
374.16824	3.1
460.19073	0.7
535.19000	1.5
535.26190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
60.09871	0.4
61.98825	0.7
70.64999	0.4
72.86665	0.4
72.99316	59.1
78.91870	1.4
84.21906	0.4
89.85524	0.4
93.03455	1.1
95.05043	2.6
97.06603	3.3
102.06398	0.4
105.03458	0.8
109.02933	0.7
115.01900	0.4
117.07180	0.5
118.44814	0.4
121.02936	0.7
122.03756	1.2
123.04534	3.6
123.08180	2.9
125.09725	0.9
132.02176	1.7
133.02972	30.3
134.03778	3.8
135.04536	9.9
135.08167	2.2
137.02473	3.0
137.09764	0.5
137.79955	0.4
138.06824	0.4
139.04071	0.5
142.11710	0.5
146.03751	1.3
147.04521	1.5
149.06076	1.0
150.03232	2.0
151.04024	1.6
159.04514	1.8
160.01563	0.4
161.02461	100.0
162.02820	2.9
163.07680	2.1
172.05299	1.8
173.06125	2.0
174.06796	0.6
175.03972	0.8
175.07626	2.7
177.09221	1.8
177.12856	3.2
178.02737	8.5
179.03531	6.2
185.06111	1.2
186.06880	0.9
187.07651	9.8
187.09262	0.5
188.08160	0.5
189.09196	2.7
191.07143	0.6
196.03622	0.6
197.04555	1.7
199.07643	1.3
200.08362	0.8
201.09216	4.3
203.07167	0.6
203.10890	1.1
205.05035	0.5
211.07631	0.5
213.09192	1.3
215.07196	0.4
215.10825	0.9
227.07069	0.6
231.10254	0.9
232.59692	0.5
239.07193	0.8
241.12312	0.5
256.11081	0.4
257.21466	0.4
259.09851	0.6
270.12598	0.6
271.17065	0.9
275.09348	2.9
277.10812	6.4
281.15573	0.7
282.12585	0.8
285.15100	1.2
285.18411	0.4
295.13474	0.6
299.16550	4.7
301.18124	0.7
311.16537	3.4
329.17679	0.9
331.19141	1.2
337.14114	0.6
355.15509	3.4
368.98340	0.5
373.16580	79.9
374.17029	4.0
474.22662	0.5
535.19720	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63366	1.3
57.03453	88.4
59.01382	29.2
69.20789	6.9
71.01387	3.3
73.02954	13.4
81.03474	3.8
83.01373	2.5
84.26811	1.3
97.02922	2.1
99.04528	66.3
101.02451	16.5
113.02500	1.5
123.04519	3.7
125.02467	56.2
126.22475	1.5
133.02963	2.3
135.04518	3.4
143.03476	2.1
143.10799	100.0
157.12360	8.8
161.02463	7.9
179.03419	1.8
186.38956	1.6
233.80774	1.8
234.28629	1.5
283.16882	2.1
299.16550	2.9
301.18063	25.9
314.27960	1.5
331.19141	33.8
331.22803	2.9
332.19409	2.4
475.23141	5.5
535.25476	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	535.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77205	0.4
59.01387	2.4
61.98827	0.8
68.99193	0.3
69.14854	1.7
69.15265	0.9
72.93909	0.4
72.99311	2.4
83.05016	0.5
85.06600	0.9
98.21925	0.9
117.10216	0.4
133.02971	1.2
135.04517	2.5
135.08253	0.5
161.02443	4.5
179.03566	0.4
185.02600	0.4
201.09335	0.6
203.10838	1.4
215.10780	1.1
216.11597	2.0
217.12389	1.5
227.35318	0.4
230.13145	0.5
264.97241	0.5
283.17325	0.5
285.15158	0.5
292.96732	0.6
294.96524	0.4
298.15802	0.6
299.16516	1.6
301.18109	40.6
302.18439	2.1
311.16620	0.7
313.18179	6.3
314.18539	0.4
329.17615	0.8
330.18372	1.2
331.19165	100.0
332.19528	6.1
335.98401	0.7
373.16483	1.2
535.25562	38.9
536.26105	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	535.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21080	0.2
59.01383	2.5
59.68276	0.2
61.98851	0.7
69.46468	1.1
71.01397	0.5
72.82181	0.2
72.99315	2.9
82.73414	0.2
85.02998	0.3
109.02991	0.5
122.06120	0.5
123.04545	1.1
132.02214	0.7
133.02966	4.8
135.04543	4.2
141.74768	0.2
142.42525	0.3
151.04025	0.2
152.07214	0.3
160.01717	1.9
161.02466	16.9
162.02747	1.4
175.03992	2.1
177.01962	0.5
179.03525	2.6
192.78975	0.3
195.06810	0.3
197.04611	3.1
214.09937	0.4
215.10660	0.3
217.08621	0.3
229.08752	0.6
230.09515	0.8
243.10272	0.5
244.11060	1.5
268.05869	0.3
269.06467	0.3
273.11548	0.3
283.17090	1.0
287.22565	0.3
293.09512	0.5
296.05600	0.5
297.06024	0.6
299.16534	2.8
301.14493	0.6
301.17957	0.4
307.07571	0.3
313.18118	4.7
315.15900	1.9
316.16843	0.4
330.18494	1.0
331.19168	100.0
332.19513	5.2
337.08057	0.3
341.05038	0.4
359.07733	3.2
372.07285	0.6
373.07874	1.0
373.12021	0.3
460.18707	0.7
475.32690	0.3
504.17883	0.7
535.25476	15.8
536.25739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01388	2.1
68.34738	0.1
71.01394	0.3
71.43311	0.2
72.99320	0.8
85.02966	0.1
87.00903	0.2
97.06597	1.4
101.02477	0.2
123.04553	0.2
125.02477	0.2
132.02226	0.2
133.02988	1.2
134.03777	0.3
135.04547	5.1
136.04898	0.2
151.03993	0.3
161.02458	3.5
162.02808	0.2
177.01907	0.2
179.03497	1.3
179.87210	0.1
197.04509	0.3
203.10765	1.3
215.10793	0.2
217.12381	0.5
225.05167	0.2
271.13464	0.5
283.13348	0.2
284.14252	0.2
285.15051	1.3
285.18176	0.2
286.15906	0.3
296.95984	0.1
299.16595	1.8
300.17313	1.2
301.18109	100.0
302.18457	4.7
315.16055	0.3
326.27734	0.2
329.17545	0.2
330.18338	0.6
331.19171	44.5
332.19568	2.1
357.06305	0.2
359.07486	0.3
373.25638	0.2
377.74405	0.1
473.47128	0.2
475.23309	0.3
493.24380	0.3
505.24533	4.0
506.25043	0.2
535.25537	34.6
536.26068	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	535.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.8
59.01387	44.9
68.05555	1.5
69.03457	1.5
69.28335	9.2
71.01383	16.2
72.99303	7.2
73.02957	21.3
73.40180	1.6
76.98484	1.7
80.05091	1.9
83.01385	4.7
83.88097	1.6
85.02948	4.0
89.02451	4.9
95.64169	1.6
101.02440	12.6
113.02437	4.0
120.64885	2.4
121.03027	2.5
121.04036	1.7
122.06144	2.9
123.04543	2.5
133.02972	11.2
134.03732	3.5
135.04535	20.8
149.02475	2.3
152.07256	9.6
152.08237	1.6
161.02475	29.9
162.02831	2.6
174.95206	1.5
179.03539	10.4
180.04051	1.7
188.07182	2.2
197.04552	3.3
225.05095	1.9
253.09790	2.8
267.03012	2.8
283.17218	7.6
284.03299	1.7
287.22311	7.3
295.11078	8.0
299.05716	2.2
301.18124	17.1
307.10629	1.8
313.18155	2.9
327.04916	1.8
331.19189	30.2
355.04547	7.8
373.05435	5.0
373.11017	3.1
394.62909	1.7
431.26266	2.3
449.27664	10.5
460.18973	15.2
463.23477	10.6
473.12845	2.4
475.22833	1.9
491.28693	21.1
493.23489	3.0
493.30295	3.1
504.17889	16.2
505.24457	7.2
535.25397	100.0
536.25916	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	535.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70837	3.1
57.01562	2.8
57.83685	2.4
58.60278	2.2
59.01384	34.9
61.98835	5.6
69.16412	12.2
71.01398	18.0
72.99327	12.1
73.02944	6.1
76.20592	2.4
80.57288	2.7
81.03455	6.5
85.02957	8.4
87.00942	2.6
89.02448	3.5
91.01877	4.8
94.92360	2.6
98.21933	4.0
99.00894	3.7
101.02457	9.8
101.87341	2.4
105.03428	3.3
107.01392	3.3
108.02172	6.5
109.02958	20.9
110.11746	2.6
111.00933	2.9
113.02448	6.5
118.83301	2.6
119.05111	2.4
122.03719	3.8
123.04539	15.6
132.53694	2.6
133.02945	13.6
134.03743	3.3
135.04529	24.8
135.11830	4.6
137.02388	3.2
137.09738	9.6
149.02444	4.9
151.03970	3.5
152.01172	9.2
153.01945	18.3
159.04526	3.5
160.01756	2.6
161.02463	39.8
167.03517	27.8
173.14217	2.8
177.01942	3.7
177.68275	2.6
179.03520	12.3
179.10799	62.7
180.11208	3.6
185.02454	4.0
197.04514	5.2
205.08711	13.5
223.09747	8.6
236.88037	2.8
287.22281	25.8
295.06036	8.6
296.05649	3.6
297.06165	10.9
311.07788	15.8
313.23813	3.8
373.09415	6.0
373.25952	6.7
431.26523	16.6
449.27628	33.5
491.19260	7.2
491.28644	100.0
492.29022	4.0
535.18195	96.3
535.31244	9.1
536.18616	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	535.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	38.1
61.98832	5.2
71.01392	15.6
72.99313	16.4
73.02959	5.6
83.01367	4.5
85.02962	7.1
87.00908	4.0
98.22646	4.8
101.02449	11.4
106.32561	2.7
109.02975	7.2
113.02463	3.9
116.92891	6.2
117.03534	3.5
118.92690	3.6
119.05975	2.0
123.04523	5.9
125.02422	3.4
132.02187	3.8
133.02966	28.9
134.03839	5.5
135.04549	45.4
135.92999	2.7
136.04832	4.2
137.02460	2.4
145.02966	4.3
149.02467	6.9
150.03015	2.6
161.02464	55.4
162.02806	5.6
177.01929	8.0
179.03471	19.6
181.62218	2.5
197.04558	11.5
204.06659	2.5
223.08087	3.2
245.73335	2.4
267.06732	6.2
287.22290	24.9
293.04416	3.5
295.06131	2.4
295.11072	2.9
313.23828	3.2
331.18994	4.8
372.10739	3.8
373.11249	3.9
431.26569	14.7
449.27594	34.8
460.18823	5.9
491.28677	100.0
492.28772	7.2
535.08875	3.4
535.24683	6.8
535.31348	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	535.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82041	1.7
62.98449	1.6
70.78268	3.2
94.09011	1.5
94.14993	1.7
96.37849	1.6
114.78520	1.7
149.94130	1.7
174.58353	1.7
176.28697	1.6
180.69646	1.8
212.39560	1.8
234.54803	1.7
453.33719	100.0
454.34045	8.2
535.34137	36.2
541.75812	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	536.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41934	0.4
59.01374	0.5
69.69182	1.0
72.99318	8.0
77.03976	0.5
80.37826	0.4
89.03976	0.5
96.91215	0.4
105.03477	0.5
109.02970	3.7
113.91481	0.5
116.05091	1.2
117.03463	1.3
121.03040	0.5
123.04541	1.7
132.02231	2.3
133.02966	27.9
134.03494	0.5
135.04535	9.2
149.01260	1.1
151.04022	0.8
159.04471	0.9
161.02458	100.0
162.02823	2.5
164.03531	0.8
170.42346	0.5
177.02019	0.5
179.03502	6.0
185.02463	2.0
186.03035	0.5
197.04503	2.3
242.04604	1.0
251.03568	0.5
254.04582	0.9
256.06085	3.2
265.05014	0.6
267.06601	0.7
270.04083	7.3
277.05121	1.0
277.74771	0.4
279.02948	1.3
281.03244	0.9
282.04095	4.4
282.07767	1.3
283.04825	1.9
283.07681	0.4
284.05621	5.9
285.06415	6.1
286.06921	0.9
293.04669	0.6
294.05038	0.5
295.06183	3.4
296.05807	1.0
297.06409	4.6
298.07147	2.0
300.05145	1.6
312.08926	1.5
313.06006	1.8
314.06769	1.6
315.07489	4.5
321.04004	1.4
328.08249	4.7
339.05078	4.2
342.06488	0.5
352.95416	0.4
356.07776	3.8
359.06512	2.4
374.08820	49.4
375.09332	2.2
536.11969	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	536.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24176	2.9
59.01387	100.0
60.01711	14.4
61.01819	20.4
61.98836	81.9
81.65681	3.5
93.70328	3.5
108.63667	3.2
135.04535	6.1
161.02449	9.9
178.20779	3.2
196.12102	3.0
322.50464	3.6
476.33191	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	536.3361
Annotation	CHEBI:132285
Peak:m/z	Relative Intensity
50.17171	1.1
51.48815	1.1
51.82742	1.1
52.57471	1.2
161.04117	1.4
186.56236	1.3
279.23392	2.1
289.82605	1.1
293.32333	1.3
471.34848	16.9
536.33612	100.0
537.34204	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	536.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84964	1.2
67.57915	1.1
69.42660	4.1
70.79166	1.0
73.86526	1.0
75.31559	1.2
85.64590	1.1
92.86279	1.0
135.04539	2.1
161.02487	2.2
233.93268	1.1
238.10574	1.2
424.80310	1.1
471.34894	13.9
472.35178	1.2
536.33636	100.0
537.33875	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	536.3357
Annotation	CHEBI:75219
Peak:m/z	Relative Intensity
54.44394	0.5
58.56422	0.7
65.73392	0.6
68.19540	0.6
69.17497	3.3
75.45084	0.6
76.47553	0.5
79.00544	0.5
109.02969	0.9
110.08009	0.5
133.41531	0.6
152.79875	0.5
179.03473	0.8
180.62531	0.5
185.02402	0.9
200.86696	0.6
295.06235	1.3
339.05191	1.2
471.34802	16.0
472.35165	1.7
536.33612	100.0
537.33807	7.1
551.26654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33247	1.0
56.47654	1.0
58.18797	1.1
59.01387	69.5
64.64291	1.0
64.83734	1.0
70.30879	3.2
71.01388	44.3
72.45904	1.1
72.99313	8.3
73.02969	1.4
83.01392	2.2
84.26465	1.1
85.02953	4.5
87.00878	3.1
89.02456	56.5
90.97144	3.4
95.01431	2.8
96.96951	2.2
99.00894	3.9
99.41209	1.2
100.99222	1.9
101.02466	18.0
109.02978	10.6
109.17358	1.2
113.02454	17.9
116.98650	1.7
117.03461	1.2
118.96645	36.9
119.03510	19.4
121.02969	6.1
123.04541	6.8
131.03511	2.8
132.98221	19.0
133.03012	6.0
134.03743	1.2
135.04544	23.9
140.98688	2.8
141.00481	2.3
143.03502	5.7
146.96118	2.1
146.99753	2.0
147.04463	1.6
149.04564	1.7
151.04025	10.8
156.98198	29.5
159.04527	4.3
160.97697	24.5
161.02467	11.6
161.04582	5.2
168.98198	5.7
170.99767	5.0
173.02467	4.6
174.99184	2.9
177.01920	1.1
179.03525	14.7
179.05624	27.7
182.99748	3.1
183.01477	2.1
185.02498	6.5
186.03262	2.2
186.99275	5.4
188.97105	1.4
189.00740	2.6
195.01462	1.9
196.97705	1.6
197.04565	3.7
198.99257	6.6
199.00952	2.3
203.03535	1.9
210.99284	16.1
214.98705	1.6
217.00305	49.2
226.98849	1.2
229.00269	9.6
235.01320	1.4
241.00380	1.4
242.98267	2.6
243.03586	3.1
244.01378	1.5
247.01416	2.3
249.05818	1.4
254.95415	1.8
259.01376	30.5
269.08246	2.6
277.02548	8.3
277.05151	2.1
295.06128	35.2
313.07104	3.9
314.97037	2.1
319.03275	2.2
327.12207	1.2
339.05316	1.4
341.10901	100.0
342.11020	2.4
356.99002	2.5
357.06348	1.9
359.07941	1.4
363.07672	1.5
379.05664	11.2
397.06693	1.9
439.07733	47.7
440.08093	2.8
503.78116	1.2
537.04260	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1047
Annotation	Salvianolic acid J
Peak:m/z	Relative Intensity
53.65670	2.5
59.01387	7.6
69.73837	6.9
69.74230	5.9
72.99322	22.6
75.91090	2.7
90.92525	3.1
100.12647	2.6
108.02234	4.8
109.02972	78.6
110.40854	2.8
121.03039	5.6
123.04548	14.8
131.48953	3.4
133.02979	18.1
134.03793	8.0
135.04553	100.0
136.04852	3.6
145.02995	5.8
149.02486	7.1
159.04544	9.4
161.02455	22.4
173.02493	5.5
175.04092	3.9
177.01950	8.0
179.03516	86.9
180.03799	3.2
185.02486	45.3
186.03242	16.4
197.04510	24.9
209.44456	2.8
213.05547	3.2
248.04855	3.4
249.05624	9.7
250.11087	3.3
266.01974	4.0
267.06650	9.9
269.08334	3.5
277.05078	14.4
278.05682	4.4
279.02869	7.8
280.03842	8.4
293.04501	5.4
295.06161	75.5
296.06479	4.7
297.04108	5.6
313.07169	3.2
321.04074	8.1
325.03500	6.3
326.04263	8.3
327.19623	3.0
339.05103	60.8
357.06348	4.0
359.07959	4.4
537.27612	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	537.1045
Annotation	Salvianolic acid J
Peak:m/z	Relative Intensity
69.27276	6.1
72.99313	15.9
80.25400	0.9
93.03483	2.2
100.45775	1.0
105.03472	1.6
109.02964	62.1
117.03468	1.1
121.02980	12.9
122.03747	2.5
123.04537	8.8
128.55591	1.0
132.02232	1.6
133.02971	24.1
134.03738	3.8
135.04541	80.3
145.02982	3.7
146.03720	1.8
147.04521	6.4
149.02414	1.3
150.03264	9.5
151.04005	7.0
157.02959	3.0
158.03761	2.1
159.04526	17.1
161.02460	66.6
162.03030	2.2
164.04805	2.2
165.05580	9.1
173.02412	10.1
175.04018	3.9
176.04832	1.1
177.01979	2.5
177.05556	4.3
179.03514	57.8
179.07079	1.6
180.03871	1.8
185.02454	33.3
186.01602	1.1
186.03125	6.8
191.07162	1.3
197.04559	8.8
203.03542	8.0
211.07753	1.3
221.04599	4.8
222.06914	1.2
239.07227	2.0
249.05679	2.8
251.07361	1.2
252.04240	1.4
253.05171	2.0
265.05148	1.3
267.06680	4.9
269.08234	6.1
277.05066	4.1
294.05319	1.2
295.06146	100.0
296.06540	5.9
313.07169	8.4
323.07819	17.5
339.05045	1.6
357.06192	4.7
378.15775	1.3
493.11444	3.3
537.16241	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1044
Annotation	Yunnaneic acid C
Peak:m/z	Relative Intensity
57.09982	0.9
69.05091	0.9
69.71548	3.8
69.71883	0.9
72.99318	8.1
77.90510	0.9
79.92700	0.8
84.28068	0.9
96.27375	0.8
102.24492	0.9
108.02175	2.2
109.02966	77.3
110.03297	1.1
115.05592	1.2
121.02940	2.0
123.04534	2.9
133.02966	1.7
135.04538	15.9
145.02942	2.6
147.04527	3.2
149.02455	3.3
157.02972	2.8
158.03709	1.6
158.38658	0.9
159.04527	10.0
161.02495	5.9
173.02449	2.6
174.03235	1.3
175.04117	1.2
179.03514	7.4
185.02452	37.6
186.03224	10.6
193.06607	1.0
196.05347	1.0
197.04553	9.4
203.03462	1.4
208.05211	1.1
209.06036	2.0
221.06195	2.1
223.07616	3.0
224.04773	3.4
225.05602	6.4
229.01363	4.4
236.04785	1.4
239.07233	5.4
248.04733	1.6
249.05507	8.0
250.06270	1.7
251.03490	3.2
251.07115	2.0
252.04254	5.5
253.04993	2.6
260.04797	1.1
265.04990	1.2
266.05743	2.7
267.06665	12.0
269.08255	5.7
277.05084	16.5
278.05856	2.2
279.03015	12.3
280.03766	10.6
293.04486	4.4
294.05252	1.4
295.06146	72.1
296.06439	3.2
313.06979	2.4
321.03946	2.7
339.05115	100.0
340.05463	4.3
340.94348	0.9
467.30069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1042
Annotation	Yunnaneic acid C
Peak:m/z	Relative Intensity
70.72437	1.3
72.99310	9.5
90.23997	1.2
93.03492	1.8
94.23923	1.2
104.92087	1.2
107.85193	1.3
108.02168	2.8
109.02960	82.1
121.02963	8.9
123.04537	6.4
133.02951	3.5
135.04546	26.4
145.02966	4.1
147.04507	3.0
149.02443	4.5
151.04019	3.0
157.02965	3.0
158.03773	2.1
159.04520	8.2
161.02460	14.7
173.02457	7.4
177.01965	2.1
179.03502	19.4
185.00868	2.3
185.02454	34.9
185.04112	2.0
186.03236	11.6
193.66422	1.3
197.04648	7.3
208.05339	2.7
209.06111	2.7
211.07616	2.0
221.06097	3.8
224.04800	4.4
225.05611	4.6
228.91037	1.4
238.06288	1.6
239.07263	6.4
248.04840	2.4
249.05621	8.3
250.06264	3.1
251.03569	2.9
251.07158	2.1
252.04306	4.5
254.05602	1.3
265.04962	2.1
266.05756	2.5
267.06625	9.8
269.08237	7.3
276.04160	2.4
277.05081	13.2
278.05658	1.6
279.03061	13.4
280.03748	11.9
293.04697	2.5
295.06128	91.6
296.06534	5.8
313.07132	5.3
321.04059	3.6
339.05096	100.0
340.05380	5.7
359.07593	1.5
453.92523	1.3
463.70444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1046
Annotation	Salvianolic acid J
Peak:m/z	Relative Intensity
59.01379	5.6
64.98223	0.7
68.80576	0.7
70.88651	1.4
71.01376	3.2
72.99319	12.0
85.57005	0.8
89.02460	4.0
91.05541	1.1
93.03474	1.8
99.00885	0.9
100.72572	0.7
101.02483	1.3
105.03477	2.3
107.05013	0.8
108.02177	1.7
109.02963	67.8
110.03272	1.1
113.02457	1.1
117.03509	0.8
118.96612	2.1
119.03524	0.8
121.02973	6.6
123.04537	8.1
126.08627	0.7
130.04376	0.8
132.28859	0.9
132.98161	1.4
133.02974	12.2
134.03780	3.3
135.04543	57.7
136.04811	1.5
145.02980	2.8
146.03773	1.0
147.04530	6.0
151.04007	8.4
156.98137	1.4
157.02954	2.7
158.03723	2.0
159.04536	18.0
160.97717	0.9
161.02455	21.0
162.03188	1.8
173.02461	6.9
175.04022	2.5
177.01973	3.3
177.05521	1.5
178.95644	0.7
179.03525	38.4
180.03876	0.9
185.02455	37.5
186.03236	5.6
197.04567	10.3
203.03505	9.0
217.00337	2.7
221.04445	3.6
223.07663	0.8
224.04695	0.9
225.05560	1.0
239.07112	1.5
249.05606	2.0
250.06319	0.8
251.07167	1.4
259.01379	1.7
265.05096	1.3
265.54001	0.8
267.06680	3.0
269.08231	2.9
277.05090	2.2
295.06140	100.0
296.06445	5.8
313.07230	9.7
341.10895	8.5
357.06201	3.8
359.07626	2.5
439.07764	2.1
493.11514	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56103	0.8
59.01386	11.4
61.98830	0.8
67.52898	0.7
69.90498	1.9
71.01382	3.3
72.99313	15.0
73.02929	0.9
77.03932	0.7
78.84772	0.7
83.01373	0.8
85.02967	1.0
89.02438	1.5
95.05064	1.3
101.02443	1.9
105.03484	2.6
107.05059	2.8
108.02208	1.0
109.02969	12.2
113.02471	1.0
117.03472	1.5
121.02951	1.8
123.04517	8.0
125.02434	0.9
132.02193	11.9
133.02974	42.9
134.03777	11.1
135.04541	95.9
136.04863	2.9
137.02438	2.4
145.02937	1.2
146.03772	1.2
147.04504	4.0
149.02493	3.0
149.06097	3.0
150.03233	2.0
151.04030	8.8
151.11316	3.5
159.04539	4.7
160.01683	23.3
161.02464	100.0
162.02809	4.7
163.04070	1.4
173.02431	1.8
174.03238	1.9
175.04016	9.5
177.01947	10.8
177.05588	5.9
178.02711	4.2
179.03514	57.8
179.07013	1.7
180.03906	1.3
185.01089	0.7
185.02441	4.8
195.03043	1.5
195.10228	1.0
197.04568	9.9
202.02773	1.2
203.03537	2.4
204.39569	0.8
220.16148	0.7
221.04544	13.8
239.07143	0.9
251.05649	11.9
267.06433	1.2
269.08170	2.4
274.15720	1.7
279.03067	1.4
281.06662	17.9
295.06110	10.3
301.18304	0.8
303.19705	10.7
309.07840	1.7
313.07288	6.0
313.10516	1.4
315.19611	5.0
323.07788	1.6
331.08304	3.3
331.19080	2.3
332.19485	2.7
333.20721	45.8
334.21039	1.8
339.05057	3.8
339.08734	34.7
340.09155	1.6
341.08783	10.6
343.04694	1.5
357.06006	3.6
357.10028	2.8
359.07697	1.5
375.07462	2.8
384.30319	0.9
428.98560	0.9
448.82355	0.8
461.19150	1.6
477.18137	1.9
477.24829	0.9
504.25687	0.9
505.18436	1.3
537.27069	17.5
538.27539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
61.67696	0.2
61.76772	0.3
69.09870	1.7
71.01390	0.6
72.99332	0.7
73.02964	1.7
73.23778	0.2
81.03423	0.2
83.01379	0.4
95.64336	0.3
98.22627	0.5
99.04633	0.3
101.02451	0.8
109.02976	2.6
123.04537	0.6
135.04523	1.3
155.31299	0.2
159.04590	0.3
161.02388	0.3
179.03510	0.7
185.02466	1.9
197.04710	0.3
221.15543	0.4
233.15527	2.1
244.14702	0.5
271.20691	0.3
273.18619	7.2
277.05170	0.6
285.18631	2.8
286.19043	0.3
289.21756	6.4
295.06137	3.7
301.18134	0.8
303.19699	5.7
313.06833	0.3
315.19666	26.6
316.20090	1.3
321.04163	0.3
331.19254	0.4
332.19739	0.6
333.20734	100.0
334.21063	4.6
339.05246	1.7
347.22229	2.5
348.22711	0.3
357.20670	0.3
375.21768	6.6
376.22165	0.3
537.27124	20.3
538.27429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72069	0.2
59.01388	1.8
60.76056	0.2
69.07024	0.6
69.07450	0.7
71.01384	0.3
72.99314	1.4
83.20515	0.2
85.02956	0.3
93.03493	0.2
98.21895	0.5
101.53678	0.2
109.02966	0.5
123.04533	0.9
132.02245	0.3
133.02965	2.6
134.03755	0.4
134.06105	0.2
135.04547	2.9
136.04840	0.2
142.51099	0.2
149.02492	0.4
149.24416	0.2
151.04053	1.3
152.07181	0.5
161.02461	10.8
162.02841	0.3
164.08289	0.2
167.03581	0.3
177.01999	0.3
179.03529	1.2
185.02409	0.2
197.04594	0.5
209.04526	0.4
211.06123	0.5
211.40163	0.2
214.09988	1.1
215.10800	0.4
217.12344	0.4
227.10834	1.0
228.11487	0.9
243.13792	0.4
259.17004	1.7
259.93906	0.2
266.88693	0.2
273.11520	0.3
282.16217	0.6
283.17017	1.9
287.20187	0.3
288.13733	0.3
295.06021	0.3
296.11368	0.3
299.16562	0.7
300.17291	0.7
307.10727	0.2
314.18814	0.5
315.19666	100.0
316.19983	4.6
331.19180	0.2
332.20044	0.9
333.20734	65.4
334.21124	3.0
339.05185	0.2
357.09872	0.4
359.07678	0.2
375.10999	1.7
376.10452	0.4
461.19171	1.4
463.16003	0.2
477.24936	0.8
505.18069	1.1
537.27106	36.1
538.27478	2.1
550.15411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16129	0.3
57.21433	0.3
59.01387	100.0
61.98856	0.3
64.01227	0.3
69.21117	2.1
71.01393	1.2
72.99317	5.7
73.02971	2.4
82.98601	0.3
83.01419	0.3
83.07481	0.4
89.02451	0.5
101.02451	2.8
104.26955	0.3
109.02985	0.7
113.02513	1.0
116.92918	0.4
117.18834	0.3
119.03513	0.5
121.02985	0.4
123.04555	2.6
126.22757	0.3
133.02992	4.9
133.03914	0.6
134.03773	0.9
135.04549	6.2
136.04918	0.4
137.02538	0.6
141.77019	0.3
149.93607	0.3
150.03261	1.0
151.04027	4.4
161.02466	16.6
161.04573	0.5
162.02895	1.2
164.04811	0.6
177.01974	0.5
178.02808	0.5
179.03499	4.8
179.10837	1.1
180.03937	0.3
185.02457	0.5
197.04568	4.6
295.06226	0.5
303.19827	1.1
333.17023	0.7
333.20734	6.0
339.05374	0.3
359.07773	3.5
375.10904	7.1
376.11298	0.7
537.14221	0.4
537.27252	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44927	0.2
59.01385	2.1
61.98849	0.5
71.01382	0.2
71.43499	0.3
72.99335	0.5
77.63251	0.2
109.02981	0.4
132.53421	0.2
133.03018	0.5
135.04533	2.0
137.02396	0.2
142.89128	0.2
147.04478	0.2
161.02460	1.7
179.03511	1.0
185.02505	0.3
195.90155	0.2
197.04543	0.4
198.26109	0.2
203.10803	0.5
216.11563	0.3
217.12390	0.3
229.12341	0.4
269.15396	0.6
275.16696	0.3
278.84021	0.2
285.18649	4.7
286.18710	0.3
295.06265	0.5
299.16614	0.3
300.17349	0.3
301.18085	2.4
303.19662	0.3
315.19656	1.0
317.17593	0.4
331.19141	1.0
332.19852	0.7
333.20746	100.0
334.21078	5.0
339.04980	0.7
396.37842	0.3
477.24728	0.2
518.12982	0.2
537.27118	23.6
538.27472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.9
70.86601	0.5
71.01397	0.9
72.99335	0.9
73.02951	1.6
87.84902	0.4
99.04536	0.5
101.02493	0.6
109.02963	3.5
113.02480	0.3
117.89178	0.3
121.03031	0.4
123.04581	0.4
125.10947	0.3
135.04587	1.2
145.02965	0.4
159.04520	0.6
161.02516	0.8
179.03549	0.9
185.02518	1.6
186.03294	0.5
197.04623	0.8
228.34419	0.3
233.15559	2.2
244.14784	1.4
249.05313	0.4
251.07564	0.3
267.06543	0.7
271.20731	0.4
273.18634	10.9
274.19070	0.6
277.04935	0.6
285.18570	4.4
289.21744	6.1
295.06198	2.8
301.18103	1.1
302.18692	0.4
303.19702	7.9
315.19675	24.3
316.20013	1.3
321.04309	0.4
332.20026	0.9
332.45886	0.3
333.20743	100.0
334.21078	5.5
339.05173	2.3
347.22305	2.5
357.20926	0.4
360.57584	0.3
375.21750	5.8
375.37308	0.3
537.27087	25.4
538.27454	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92080	0.7
53.32390	0.6
59.01379	0.9
59.47577	0.7
61.98827	0.6
72.99246	0.6
103.29612	0.7
109.02963	2.3
125.12247	0.7
135.04497	2.0
161.02446	1.3
179.03525	1.1
185.02519	1.4
286.01559	0.9
295.06161	1.8
324.15344	0.8
339.05496	0.9
340.33157	0.8
421.26099	0.8
455.31708	100.0
456.32135	7.7
537.32050	47.9
538.32288	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	537.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66255	1.3
65.08092	1.6
78.95914	18.9
84.79421	1.6
109.02972	1.4
112.42570	1.4
135.04544	2.6
152.99617	4.6
158.62491	1.5
161.02393	1.4
162.15730	1.5
168.04338	2.3
179.03552	2.6
218.69090	1.6
224.06865	8.3
255.23323	100.0
256.23737	4.0
295.05945	2.3
409.23804	1.8
480.31012	71.1
481.31528	3.9
512.33044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44559	0.4
57.29896	0.5
67.65806	0.4
70.91831	0.7
75.13472	0.5
103.25040	0.5
109.02901	0.7
161.02344	0.7
219.85748	0.5
230.79150	0.5
340.75284	0.5
400.66293	0.5
455.35361	100.0
456.35654	9.4
537.35718	52.5
538.35895	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	538.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35678	0.7
57.16684	0.7
59.01394	4.4
61.98844	0.9
69.31063	3.5
71.01384	1.5
72.99317	13.4
75.00870	0.8
77.03946	0.9
82.15284	0.7
93.03468	3.1
95.05045	1.0
105.03477	0.8
109.02972	4.8
117.03456	1.7
119.05024	3.9
120.04466	0.8
121.02981	6.0
122.02486	0.7
122.06139	1.3
123.03284	1.6
123.04508	5.3
124.14436	0.7
125.02466	2.0
132.02165	2.3
133.02972	27.6
134.03676	1.4
135.04538	23.9
136.04025	1.8
136.04904	1.9
137.04837	1.9
138.05606	2.6
139.04025	4.8
145.02972	3.0
146.02437	1.1
147.03375	1.2
147.04559	0.9
148.04041	2.6
149.02455	56.7
149.04868	3.9
150.03256	5.2
150.05621	25.6
151.03989	1.9
152.07217	1.4
161.02458	100.0
162.02893	4.0
163.02820	1.4
163.04039	6.1
164.07164	1.7
165.04337	2.6
166.05118	0.9
168.00612	0.9
170.49011	0.7
175.02713	0.8
176.03510	1.6
177.01888	1.3
179.03517	11.1
180.03830	1.3
180.06699	2.5
185.02461	0.8
192.03076	1.0
194.04594	22.0
196.87373	0.7
197.04553	3.1
208.06203	3.9
212.49464	0.9
226.07230	19.8
234.04063	1.4
237.02754	1.1
252.05157	2.5
269.07010	1.9
280.06256	0.8
281.06992	1.6
282.07971	0.9
284.09421	1.4
299.08170	0.7
315.19635	4.0
316.20026	3.8
333.20691	3.4
334.21136	2.3
343.06900	3.7
351.09705	0.9
358.09372	16.9
376.10397	69.4
377.05182	3.0
377.10803	3.0
388.10431	13.1
462.19507	2.0
478.25189	0.9
506.18353	2.0
520.12769	1.2
537.27087	1.2
538.15826	1.4
538.27478	1.3
539.08392	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	538.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35678	0.7
57.16684	0.7
59.01394	4.4
61.98844	0.9
69.31063	3.5
71.01384	1.5
72.99317	13.4
75.00870	0.8
77.03946	0.9
82.15284	0.7
93.03468	3.1
95.05045	1.0
105.03477	0.8
109.02972	4.8
117.03456	1.7
119.05024	3.9
120.04466	0.8
121.02981	6.0
122.02486	0.7
122.06139	1.3
123.03284	1.6
123.04508	5.3
124.14436	0.7
125.02466	2.0
132.02165	2.3
133.02972	27.6
134.03676	1.4
135.04538	23.9
136.04025	1.8
136.04904	1.9
137.04837	1.9
138.05606	2.6
139.04025	4.8
145.02972	3.0
146.02437	1.1
147.03375	1.2
147.04559	0.9
148.04041	2.6
149.02455	56.7
149.04868	3.9
150.03256	5.2
150.05621	25.6
151.03989	1.9
152.07217	1.4
161.02458	100.0
162.02893	4.0
163.02820	1.4
163.04039	6.1
164.07164	1.7
165.04337	2.6
166.05118	0.9
168.00612	0.9
170.49011	0.7
175.02713	0.8
176.03510	1.6
177.01888	1.3
179.03517	11.1
180.03830	1.3
180.06699	2.5
185.02461	0.8
192.03076	1.0
194.04594	22.0
196.87373	0.7
197.04553	3.1
208.06203	3.9
212.49464	0.9
226.07230	19.8
234.04063	1.4
237.02754	1.1
252.05157	2.5
269.07010	1.9
280.06256	0.8
281.06992	1.6
282.07971	0.9
284.09421	1.4
299.08170	0.7
315.19635	4.0
316.20026	3.8
333.20691	3.4
334.21136	2.3
343.06900	3.7
351.09705	0.9
358.09372	16.9
376.10397	69.4
377.05182	3.0
377.10803	3.0
388.10431	13.1
462.19507	2.0
478.25189	0.9
506.18353	2.0
520.12769	1.2
537.27087	1.2
538.15826	1.4
538.27478	1.3
539.08392	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	538.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17313	0.8
61.98837	100.0
69.13739	3.0
69.14151	1.5
74.90137	0.7
76.29173	0.7
98.22691	1.5
104.69094	0.8
149.48798	0.8
288.19534	0.8
351.02487	0.8
453.33783	26.5
453.40085	1.3
454.33994	4.1
456.35001	1.4
538.31531	96.9
539.31860	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	539.1202
Annotation	Yunnaneic acid D
Peak:m/z	Relative Intensity
52.50827	0.5
65.04881	0.4
69.42652	1.3
69.43056	0.9
72.99318	24.0
79.38017	0.4
91.05536	0.8
107.05048	2.0
109.02978	1.4
117.03486	4.1
121.02970	0.7
123.04529	7.1
133.02985	6.6
134.03795	4.6
135.04543	100.0
136.04836	2.6
148.78625	0.5
151.04045	1.8
161.02466	17.9
162.02908	0.7
178.02737	1.0
179.03516	37.7
180.03828	0.6
191.03531	0.5
197.04568	18.8
198.05013	1.0
205.01448	5.9
213.86533	0.4
219.03038	0.7
315.08655	0.8
333.09869	0.5
341.06699	3.5
359.07739	19.4
360.08142	0.9
377.08801	61.7
378.09097	2.3
387.24979	0.5
521.10522	0.5
539.11877	3.6
539.19678	0.6
540.12421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16933	0.7
59.01371	3.0
67.67609	0.8
68.44910	0.7
69.28571	3.7
72.98906	1.1
72.99313	14.6
73.02953	0.9
79.32880	0.7
93.03433	0.8
96.96017	1.1
98.96800	0.7
101.02498	0.9
109.02964	2.7
121.02960	0.9
123.04524	6.6
132.02205	1.2
133.02972	19.5
134.03714	1.0
135.04536	20.0
136.04886	0.8
149.02481	1.7
161.02458	100.0
162.02794	2.6
179.03514	15.8
180.03802	0.8
185.02434	1.0
193.04784	0.7
197.04576	22.5
198.04942	0.7
223.02576	0.8
271.02426	0.7
295.06012	1.4
297.06653	1.1
341.05667	0.8
359.03961	3.3
359.07779	21.8
360.08218	1.2
377.04691	1.0
377.08865	2.4
435.00443	0.8
463.61475	0.8
539.28699	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	539.1224
Annotation	Yunnaneic acid D
Peak:m/z	Relative Intensity
63.48561	0.5
63.57348	0.5
69.34409	2.9
71.01365	0.8
72.99316	14.2
79.05518	0.6
93.03502	0.7
96.01544	0.5
97.96369	0.5
105.03496	0.6
107.05023	2.6
109.02966	16.8
110.03316	3.1
111.03432	1.0
117.03417	0.8
121.02964	3.6
122.03256	0.5
123.04547	7.3
131.05009	0.6
132.02191	1.0
133.02979	12.3
134.03833	5.2
135.04539	100.0
136.04863	6.6
137.05070	1.7
143.05052	1.3
145.02975	1.1
147.04550	2.1
149.06094	1.2
150.03238	2.9
151.03938	1.2
152.98471	0.5
159.04530	2.7
160.01750	0.5
160.04854	0.8
161.02458	54.8
162.02806	8.3
163.02890	3.2
164.04752	0.6
165.05594	2.5
166.05977	1.1
166.09387	0.5
173.02484	2.1
174.02855	0.8
175.04004	4.1
177.01746	0.5
177.05630	1.2
179.03508	35.5
180.03880	4.1
181.03995	1.7
185.02449	3.1
185.06120	0.8
186.02888	2.4
187.02946	0.7
195.06558	1.3
195.08377	0.6
197.04570	20.4
197.06372	1.0
198.04964	1.1
203.03581	0.8
209.06036	0.9
222.04926	0.7
223.07623	0.6
235.07652	1.6
238.06163	0.6
239.07129	0.6
241.41151	0.5
243.06590	1.6
251.07130	2.0
253.08635	3.8
255.06572	0.8
267.06674	1.0
269.08115	2.0
270.08362	0.7
271.09738	5.2
279.06577	3.3
295.06137	7.0
296.06458	7.8
297.07629	29.4
298.08505	0.5
314.07465	0.8
315.08713	4.8
323.07727	1.9
324.08130	2.6
325.08301	2.5
329.13986	1.0
341.06638	3.5
359.07700	9.3
495.12878	1.4
538.16394	1.0
539.10840	2.7
539.18256	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	539.1199
Annotation	Yunnaneic acid D
Peak:m/z	Relative Intensity
56.10451	0.3
59.01399	1.8
71.01388	0.5
71.42632	0.3
72.52467	0.3
72.99314	3.5
85.02950	0.5
103.27742	0.3
107.05047	1.7
109.02953	1.4
117.03490	1.2
119.05035	0.9
123.04531	1.7
125.72562	0.3
126.80742	0.3
132.02145	0.4
133.02991	4.7
134.03778	6.7
135.04543	100.0
136.04875	2.7
137.02365	0.3
145.02991	1.6
147.04570	0.4
151.04033	1.0
159.04628	0.3
161.02466	23.4
162.02840	0.9
163.04007	0.9
164.01299	0.4
175.04070	0.9
177.01868	1.5
179.03520	20.4
180.03813	0.8
193.05054	0.5
197.04582	4.2
201.58731	0.3
289.82950	0.3
337.76270	0.4
358.09390	1.0
359.07596	8.5
360.08185	0.4
363.16537	0.4
377.09259	0.9
477.12564	0.4
539.12079	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	539.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42186	0.6
57.97610	0.7
59.01382	6.1
59.78424	0.8
61.98824	0.9
63.53623	0.9
71.01376	1.4
71.42749	0.8
72.99311	16.5
73.02953	1.3
78.38185	0.8
92.79926	0.7
95.05038	0.8
97.02952	1.8
101.02428	1.2
107.40691	0.7
108.04546	0.7
109.02974	3.1
111.08807	0.7
113.02467	1.3
117.03474	1.7
119.05031	3.3
123.00886	1.9
123.04549	7.5
124.01692	6.7
125.02452	10.4
133.02977	23.3
134.03688	2.4
135.04544	35.6
136.04831	2.1
145.02931	4.8
149.02509	1.3
149.99583	8.8
151.00505	0.9
151.03989	1.2
161.02463	100.0
162.02841	3.4
163.04030	3.8
168.00658	13.1
169.01439	1.8
177.01917	0.9
177.05623	0.9
179.03520	21.0
190.03278	1.1
197.04578	20.6
205.05069	2.0
218.91249	0.8
223.87646	0.8
235.06102	1.4
265.07147	2.7
335.22189	2.5
341.06561	1.0
359.07748	24.3
360.08231	1.8
377.08942	1.5
493.41672	1.0
539.17834	27.9
539.25171	1.0
540.17963	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	539.1197
Annotation	Yunnaneic acid D
Peak:m/z	Relative Intensity
59.01390	2.6
63.87951	2.1
68.20448	1.5
71.01402	2.2
71.42014	1.9
72.37376	1.8
72.99310	14.3
89.02467	2.4
95.10492	1.7
107.05042	2.2
109.02950	18.5
110.03355	3.0
119.05054	2.4
121.02902	1.8
123.04522	8.1
123.26064	2.2
133.02946	18.0
134.03773	4.9
135.04541	100.0
136.04884	7.5
147.04532	2.3
149.06104	6.9
159.04559	2.4
161.02466	74.8
162.02834	3.5
174.02910	1.8
174.22371	1.9
175.03998	2.6
179.03508	38.1
179.05830	2.1
180.03877	2.7
185.02367	3.6
186.02936	1.7
197.04572	17.9
239.05055	1.9
253.08679	4.1
269.08310	2.0
271.09964	3.0
279.06613	4.3
281.06531	1.8
295.06155	6.8
296.06494	4.6
297.07635	28.0
314.73898	1.6
315.08594	4.6
337.05875	3.2
339.06274	4.6
341.06491	2.4
359.07794	9.6
479.11359	2.0
501.11557	4.8
503.14160	14.1
534.79565	1.8
539.12219	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	539.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03934	3.0
59.01381	100.0
71.01389	57.3
73.02937	7.3
85.02955	12.2
87.00877	15.5
89.01938	6.7
89.02452	90.2
101.02448	47.8
113.02451	30.8
119.03539	21.1
125.02456	7.0
131.03554	6.6
142.53006	3.3
143.03513	12.2
161.04605	18.8
166.56355	3.4
175.94337	3.0
179.05624	89.2
221.06686	27.5
281.08655	5.9
323.09702	11.4
341.10892	33.5
377.08466	7.6
383.11948	93.3
384.12570	4.6
385.07370	4.0
434.22858	4.5
443.14215	11.5
503.16199	90.4
504.16309	5.5
539.13879	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	9.4
59.01391	31.2
69.07787	9.5
69.08207	10.0
71.01398	5.3
72.99299	3.8
73.02960	4.8
74.02496	16.5
82.03004	6.5
83.01410	5.3
85.02954	3.0
87.05664	6.0
96.04562	11.1
97.04098	13.4
98.02490	5.6
98.21884	5.2
99.05641	14.4
100.00430	6.2
101.02467	6.5
105.99696	20.2
107.08998	2.7
108.04575	12.7
108.05255	3.4
109.02966	12.3
110.02512	3.4
110.03227	3.9
112.04082	9.8
112.07695	10.8
113.03600	6.8
117.42638	3.2
123.04539	6.1
124.04045	9.9
125.04822	5.1
126.05574	4.0
127.05177	13.6
129.50410	3.2
133.02982	5.6
135.04543	13.3
137.07204	4.5
138.05569	2.8
140.07181	18.0
143.04640	5.3
151.03972	3.9
152.03528	8.3
155.08292	33.1
158.02856	4.2
161.02505	13.5
165.06694	20.8
166.05125	4.3
169.06253	3.8
179.03583	5.4
183.07770	52.4
185.02483	6.9
186.02765	2.9
195.02884	2.7
209.05927	3.2
221.09720	3.5
225.05215	4.9
227.06769	100.0
233.09653	3.4
249.05385	3.5
249.09149	14.7
251.10826	14.3
259.03946	11.3
261.05536	81.0
261.09174	8.3
267.06781	3.8
277.05606	4.3
277.08575	18.6
278.04175	5.3
279.10294	24.1
281.06540	10.3
282.07248	3.4
283.08014	15.1
295.06149	5.9
296.06284	3.1
297.06866	4.6
311.07596	62.1
312.07602	5.1
317.21335	4.8
318.94266	3.1
321.04041	7.6
335.22305	6.7
339.05197	8.2
341.05820	3.9
539.28912	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94414	1.1
59.01392	7.2
59.01621	1.4
61.78833	1.3
69.43752	6.7
71.01384	3.8
72.99316	16.9
73.02937	1.7
81.03458	1.8
87.00870	2.4
89.02448	1.7
93.03474	17.5
94.03745	1.5
101.02433	2.3
107.05045	4.0
108.02198	1.8
109.02971	58.8
110.03310	17.1
111.03382	6.7
121.02976	11.3
123.04533	7.4
133.02980	10.9
134.03812	6.9
135.04546	100.0
136.04874	17.1
137.02455	26.2
137.05096	2.7
145.02977	3.4
146.03360	1.6
147.04507	4.4
148.04895	1.8
149.02443	4.9
150.03207	5.0
151.04030	4.1
153.05566	4.8
157.02977	1.9
159.04552	9.3
160.04962	3.0
161.02455	21.5
161.05128	1.5
162.02811	5.3
163.04042	3.4
165.05582	3.8
173.02435	6.0
174.02863	1.7
175.04085	2.4
177.01978	2.0
177.05615	1.8
179.03520	69.1
180.03847	10.1
181.04001	4.5
182.02226	2.0
185.02454	21.6
186.02866	14.3
187.03137	6.4
195.06717	2.4
197.04602	18.0
198.04933	3.4
199.05045	3.0
203.03499	2.3
204.03888	1.7
207.03008	8.1
209.05951	2.0
212.08046	1.4
223.07405	1.7
224.04840	2.0
225.05518	1.9
239.05350	6.6
249.05367	2.0
250.06033	3.5
251.06306	1.7
253.04695	1.5
253.08450	1.5
267.06601	3.4
268.06836	2.6
269.07721	2.4
270.08521	2.0
271.09128	1.6
277.05096	2.3
278.05356	4.5
279.06052	4.8
280.03598	4.9
281.03940	4.2
282.04272	2.4
295.06104	30.6
296.06479	31.8
297.06760	40.6
302.14548	1.5
313.07239	2.3
315.08063	2.7
339.05307	12.3
340.05487	19.4
341.05612	30.3
343.14008	2.0
358.06232	2.4
359.10092	3.8
373.11456	2.0
491.19318	14.0
495.11954	1.6
539.14093	12.6
540.13837	1.9
560.41510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.1
62.58356	1.7
69.36230	4.7
69.36637	3.8
71.01374	4.1
72.99329	15.0
73.02959	1.6
74.99739	2.0
87.00866	6.5
89.02482	1.7
93.03468	49.7
101.02452	3.0
107.05023	1.9
109.02963	66.9
110.03288	25.0
111.03455	6.0
119.05024	2.8
121.02976	8.8
123.04507	9.3
124.04909	1.7
133.02953	8.7
134.03827	3.6
135.04541	100.0
136.04855	17.3
137.02460	56.4
137.03516	2.5
137.05052	5.3
145.02986	3.2
146.03381	1.7
147.04530	5.4
148.04883	2.7
149.02420	6.9
150.03233	7.5
151.03955	2.2
153.05586	3.1
157.03012	2.7
159.04521	9.8
160.04785	3.4
161.02448	17.8
162.02782	6.7
163.04066	3.3
165.05644	7.9
166.06255	2.4
173.02484	4.1
174.02856	2.3
179.03514	75.5
180.03842	11.8
181.03995	5.3
181.65715	1.6
182.02205	2.2
185.02463	19.7
186.02843	14.3
187.03098	7.4
193.17491	1.8
195.06497	1.7
197.04544	15.9
198.04991	2.0
203.03436	2.0
207.03004	17.4
209.06012	2.1
211.81113	2.0
222.06757	1.8
225.05670	2.3
249.05515	5.1
250.06049	3.1
251.06787	1.9
252.04280	2.2
252.07222	2.6
253.08263	1.7
254.05157	1.6
266.57043	1.7
267.06503	5.2
268.06812	3.5
269.07394	3.4
271.09061	2.7
277.04926	2.8
278.05505	4.1
279.03070	3.5
279.05936	4.6
280.03442	3.7
281.03931	7.2
282.04013	2.0
295.06128	35.4
296.06503	32.3
297.06699	37.3
314.07452	2.8
315.07901	3.8
329.13831	2.1
339.05042	11.0
340.05402	17.4
341.05615	25.2
343.14011	2.9
413.45267	1.7
491.19257	19.9
539.13837	9.5
539.21344	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	539.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82052	0.6
59.01384	29.4
61.98830	1.3
66.95935	0.7
69.15231	3.6
72.99307	1.0
73.02944	1.0
82.95423	40.0
86.10321	0.6
99.04527	100.0
100.04871	0.9
107.05062	1.0
109.02856	0.7
123.04527	0.8
125.06121	1.3
133.02966	2.5
134.03674	0.8
135.04532	4.4
152.99750	0.6
153.05620	0.7
161.02489	6.1
162.02779	1.0
165.05620	1.0
179.03542	2.7
203.07181	1.0
261.11340	3.0
279.12390	1.3
361.16718	2.4
539.28961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.0
57.03455	1.8
58.94976	0.5
59.01386	100.0
60.01739	0.6
60.89540	0.5
64.90339	0.6
69.03462	9.4
69.23480	2.4
71.01392	20.1
72.99329	2.2
73.02959	7.2
78.91912	2.2
81.03467	1.0
83.01389	3.4
85.02958	14.3
87.00885	0.8
89.02451	3.5
95.01424	1.3
96.97785	0.6
97.02962	37.8
98.03761	4.4
98.22604	1.2
99.00893	2.8
99.04539	1.1
101.02458	13.5
101.03108	0.8
109.02978	2.9
113.02460	10.2
115.04024	7.3
119.03487	0.8
123.04571	1.3
125.02448	1.0
127.04043	2.3
133.02983	2.8
134.03682	0.5
135.04533	5.3
136.04929	0.9
139.04031	0.8
143.03545	2.0
157.05112	1.8
159.03029	1.7
161.02489	11.4
161.04564	13.9
161.05873	1.0
162.02844	0.9
179.03564	2.9
180.58609	0.6
185.02437	1.1
186.02940	0.6
197.04579	3.1
215.60823	0.5
231.00522	0.5
295.06104	1.2
296.06580	0.7
297.06781	0.7
333.26559	0.6
339.05292	1.0
341.05954	1.2
359.07910	2.1
363.21750	2.5
381.22879	16.5
449.25699	0.8
461.25824	2.0
479.26526	6.9
497.27802	1.6
539.28760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94243	1.4
59.01393	12.3
59.95119	1.4
61.98837	4.0
69.28471	1.4
69.46175	6.9
71.01389	4.6
72.99316	16.6
73.02937	2.6
82.95422	10.3
83.67863	1.5
85.02987	1.6
88.98794	1.8
89.02472	1.6
98.21868	2.8
99.04529	2.1
101.02466	3.5
109.02944	6.9
111.87169	1.5
117.03489	3.9
119.05044	5.6
121.02945	2.3
123.00898	2.5
123.04546	7.0
124.01670	7.6
125.02469	20.6
133.02977	17.9
134.03758	4.2
135.04552	42.7
136.04906	4.3
145.02977	8.9
149.02464	3.0
149.99588	7.8
151.04021	1.7
161.02464	76.1
162.02794	5.6
163.00368	2.1
163.04102	4.8
168.00648	17.5
169.01500	1.7
179.03514	22.8
179.88873	1.4
180.03857	2.3
181.34846	1.6
185.02373	2.2
197.04546	17.5
243.06578	3.3
257.01086	1.7
297.06982	1.5
315.19617	3.1
316.20102	3.2
317.20267	4.2
333.21042	2.2
334.21152	1.6
335.22293	100.0
336.22635	5.9
359.03683	2.0
359.07755	14.8
377.05161	10.0
377.10669	2.2
403.21198	1.4
445.90530	1.8
461.65924	1.8
479.22925	1.9
497.24142	1.9
501.86249	1.7
539.08972	3.3
539.17633	29.9
539.25366	3.8
539.29993	1.7
540.17865	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	539.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.0
59.48729	4.8
69.71520	4.4
73.74369	5.3
74.90321	4.5
81.87779	4.5
98.22687	14.6
109.02900	6.1
127.49870	5.5
133.02965	28.0
139.17201	4.7
161.01279	7.8
161.02478	100.0
165.09117	5.6
217.00223	7.5
250.09755	4.8
251.10789	9.1
301.72330	5.2
330.07581	9.1
374.99185	6.8
485.33197	7.0
503.33911	52.0
509.21167	8.7
531.49091	5.0
548.47021	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	539.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64808	4.4
55.31569	4.1
59.01388	21.7
61.98853	8.7
66.03361	4.6
78.90977	3.9
90.32858	3.9
125.61847	4.3
131.12206	4.2
133.48988	4.6
135.04485	19.8
141.02090	4.4
161.02473	18.9
167.34465	4.0
176.39389	3.8
179.03552	4.7
233.70444	4.2
328.54437	4.9
485.32733	13.0
501.32407	14.8
503.33829	100.0
504.33932	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	540.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99057	1.6
59.01380	4.2
71.01376	3.8
72.00900	13.1
72.99312	2.0
78.95915	10.7
89.02420	1.9
95.49101	1.9
96.96998	2.0
135.04599	3.8
136.04881	2.7
147.04541	43.8
149.02451	13.4
150.03250	16.3
161.02477	5.1
161.04552	2.2
162.03203	2.8
164.04811	7.3
164.07182	100.0
165.05585	40.5
165.07562	2.4
179.03462	3.6
195.06618	17.6
203.17706	1.8
247.28253	1.8
249.89861	1.6
327.10974	14.2
559.11029	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	540.295
Annotation	Anopterine
Peak:m/z	Relative Intensity
52.17486	0.6
53.35963	0.7
54.07465	0.7
61.98837	100.0
69.80341	1.9
71.61514	0.8
78.95938	0.7
95.03528	0.7
161.02422	1.3
166.80989	0.8
170.93024	0.7
176.36253	0.7
455.31705	15.1
456.32043	3.2
458.32709	1.3
540.29449	58.1
541.29767	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	540.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49906	0.7
69.14272	3.3
79.77634	0.9
95.39046	0.7
97.15048	0.7
100.38451	0.7
110.85744	0.6
159.46408	0.7
166.93292	0.7
176.14108	0.8
189.52792	0.7
235.03261	0.8
277.95322	0.8
281.03406	0.8
308.52158	0.7
321.04202	0.8
471.34827	71.5
472.35150	26.8
473.35291	0.9
539.33881	0.8
540.33252	100.0
541.33575	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	540.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92673	0.9
61.98837	100.0
99.09751	1.0
100.65464	1.0
140.92378	1.1
143.89525	0.9
151.17044	0.9
159.08261	0.9
159.20671	1.0
455.35364	27.5
456.35782	6.3
457.35745	1.0
458.36142	1.6
540.33063	80.9
541.33307	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40229	0.8
55.49784	0.8
59.01383	1.6
72.49828	0.8
72.99314	40.9
93.03493	1.2
96.23450	0.8
96.96008	2.0
98.22650	3.5
107.05045	2.6
108.03768	0.9
109.02953	12.8
110.03296	0.9
113.02467	0.8
121.02896	0.8
123.04551	18.4
133.02982	1.0
134.03743	5.3
135.04547	100.0
136.04843	1.5
142.93004	0.9
150.03236	1.9
151.04050	1.3
161.02451	3.1
165.05608	3.8
175.04056	1.0
179.03526	36.8
180.03873	1.5
185.06088	1.4
187.04031	1.4
197.04573	65.9
198.04903	1.9
198.06810	1.0
211.07654	4.7
213.09235	3.1
219.06631	1.0
221.54585	0.9
222.06879	1.3
223.07610	1.8
224.04770	2.0
225.05527	0.8
226.06311	2.3
238.06473	1.3
239.07150	13.5
240.07796	1.1
241.08768	7.2
249.05528	1.4
257.08279	1.6
257.14484	0.9
267.06604	10.7
273.11340	2.3
285.07742	5.5
299.09326	9.1
311.05634	23.4
312.06024	1.0
317.10226	1.9
329.06631	4.6
497.14365	1.9
509.10950	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	541.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55791	3.4
59.01385	100.0
71.01386	30.5
71.41135	3.8
72.99317	17.2
73.02951	15.4
83.01383	4.0
85.02942	6.4
88.98804	14.2
89.02462	17.6
96.63849	3.8
96.96012	8.9
101.02459	16.7
109.02972	15.9
112.47993	3.5
113.02461	10.3
119.03508	8.2
121.03003	4.6
123.04532	8.3
125.02451	4.6
133.02982	10.5
134.03734	4.9
135.04562	33.1
137.06090	7.5
155.07156	9.3
161.02472	55.0
161.04555	7.2
162.02655	4.4
175.03964	5.6
179.03523	16.7
179.07118	6.7
179.10782	12.0
185.02487	4.5
197.04550	15.2
197.08153	8.2
223.09796	35.8
295.06161	4.4
301.01111	7.5
321.04129	21.3
339.05148	12.5
359.07767	8.1
361.03268	6.3
365.18234	6.8
395.49664	4.4
541.22583	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	541.3029
Annotation	Simplexin F
Peak:m/z	Relative Intensity
55.01875	2.0
57.03456	1.7
59.01387	73.5
69.03434	1.1
69.08963	4.7
71.01392	22.5
71.01791	1.1
73.02954	13.0
75.00870	0.8
83.01409	5.9
85.02960	12.7
86.00138	0.6
87.00887	2.5
87.04514	4.6
88.01460	0.7
89.02459	7.2
95.01408	1.9
99.00884	2.1
101.02452	19.6
101.06097	1.5
113.02470	9.3
118.86851	0.6
119.03529	1.9
122.11504	0.8
125.02467	1.0
136.66629	0.7
143.03470	0.9
161.02461	0.7
161.04549	4.1
175.67853	0.6
179.05638	1.0
210.24858	0.8
221.50204	0.7
235.80537	0.6
455.30069	2.5
481.27930	4.0
499.29294	5.4
541.30243	100.0
542.30518	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	542.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92416	0.5
59.01387	2.9
61.98835	100.0
64.56948	0.5
66.87252	0.5
72.99348	1.4
84.95116	3.8
87.00888	0.7
87.61962	0.8
98.58559	0.6
99.04591	0.7
109.02975	0.7
133.02988	1.7
135.04530	8.1
135.27859	0.6
136.04889	0.7
137.02483	0.6
152.01183	1.5
161.02519	3.1
161.03801	0.5
162.02864	0.8
167.03499	1.6
179.03543	2.1
197.04555	1.2
272.85321	0.7
348.05774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
59.01386	76.1
69.21885	11.4
71.01379	4.9
79.54134	2.0
81.03458	2.9
92.31348	2.2
98.22675	3.9
99.04532	82.0
99.83408	2.1
101.02457	15.9
109.02991	4.8
115.87307	2.2
125.02458	24.4
133.03006	3.3
135.04593	9.3
143.03493	2.7
158.28503	2.1
161.02451	3.8
161.04547	2.4
179.03595	3.1
271.16956	3.9
295.06119	3.0
321.03839	2.6
339.05441	2.0
348.32803	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
59.01386	76.1
69.21885	11.4
71.01379	4.9
79.54134	2.0
81.03458	2.9
92.31348	2.2
98.22675	3.9
99.04532	82.0
99.83408	2.1
101.02457	15.9
109.02991	4.8
115.87307	2.2
125.02458	24.4
133.03006	3.3
135.04593	9.3
143.03493	2.7
158.28503	2.1
161.02451	3.8
161.04547	2.4
179.03595	3.1
271.16956	3.9
295.06119	3.0
321.03839	2.6
339.05441	2.0
348.32803	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	85.6
59.01386	100.0
61.98835	1.2
69.18964	1.4
69.19375	3.4
71.01394	6.0
72.99305	0.8
73.02937	2.6
81.00525	0.8
81.03455	2.0
83.01412	1.1
85.02965	1.9
87.00871	0.7
87.04557	0.9
88.25970	0.9
89.02450	2.5
99.04530	72.7
101.02452	15.6
104.83153	0.8
113.02458	3.8
117.50806	0.7
119.03516	1.1
125.02460	27.4
133.03000	1.9
135.04544	3.0
161.02499	4.1
161.04559	2.8
179.03590	1.1
242.33934	0.8
313.16782	1.1
355.17603	1.2
434.72717	1.0
483.29672	4.5
501.30688	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	543.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40274	2.5
54.30219	2.7
57.03453	100.0
59.01385	90.3
62.57956	2.8
71.01388	3.3
72.99332	4.4
81.03489	4.4
98.22739	4.4
99.04526	93.8
101.02460	19.0
109.02935	3.6
125.01782	2.9
125.02484	30.7
135.04515	7.2
161.02452	5.5
164.49573	2.7
191.02428	2.6
197.04539	3.0
236.67778	2.6
240.07181	3.2
295.06027	3.3
369.84631	3.2
460.64270	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	543.237
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86483	85.7
73.51479	78.6
94.71868	75.4
132.08139	74.0
135.04532	100.0
179.01747	68.5
225.24480	67.4
251.45918	80.5
299.69943	72.2
308.62509	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	543.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	32.9
69.29883	74.0
73.21043	12.6
78.87794	11.9
93.50639	13.3
117.03461	20.9
119.05074	30.3
124.49158	12.0
133.02980	17.3
135.04544	13.6
135.58678	11.1
145.02986	100.0
151.04922	12.8
161.02441	22.6
163.04048	17.3
355.60129	11.9
507.29865	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05020	2.7
71.42616	0.4
124.02536	0.4
172.20358	0.5
200.31871	0.5
262.36743	0.5
269.72607	0.4
369.28033	1.1
375.30817	0.5
377.28375	0.6
393.31564	0.9
403.30090	1.1
423.32712	1.5
425.30890	2.6
425.35577	0.5
437.30615	2.3
441.33643	0.7
461.63297	0.5
467.31741	18.5
468.31909	1.5
485.32755	27.9
486.33060	1.8
527.27057	0.5
543.28595	100.0
544.28943	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	543.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11886	0.6
69.11904	4.1
97.77741	0.6
118.63825	0.6
155.48764	0.8
307.62787	0.6
485.32742	53.3
486.32892	4.8
543.28613	100.0
544.29059	6.4
559.34570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	6.6
61.98827	5.6
66.17410	1.3
71.01376	1.8
71.43344	1.4
85.02950	1.5
107.05029	3.1
116.05070	32.9
116.92831	2.3
117.03497	1.6
121.02921	1.5
132.02176	1.4
133.02997	7.0
134.03792	8.6
134.89484	1.4
135.04538	100.0
136.04829	2.6
137.02460	1.6
149.02475	3.7
150.03183	1.7
160.01666	3.6
161.02460	20.8
177.01956	47.8
178.02434	1.9
179.03519	61.2
188.01146	4.2
188.26765	1.5
189.01938	1.5
191.03485	3.3
192.04332	2.6
205.01465	3.9
219.03006	9.5
220.03810	11.5
220.07748	1.4
247.02516	30.6
248.03311	22.9
265.03552	11.2
266.04318	1.9
276.06644	1.7
294.07550	1.8
304.06259	2.0
322.07275	2.7
324.35129	1.5
336.08655	2.6
364.08292	24.0
382.09387	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99595	0.4
59.01385	5.0
61.98833	5.2
71.01398	1.4
72.99315	3.3
73.02950	0.9
79.95755	3.5
86.79568	0.5
88.98830	0.9
89.02476	0.5
94.38000	0.5
94.76019	0.4
96.96024	100.0
99.04541	3.1
101.02448	0.8
111.93312	0.4
114.93396	1.1
123.04578	1.6
124.86591	0.5
133.02989	3.7
135.04546	6.9
136.04893	1.3
161.02457	12.0
179.03578	2.8
187.07782	0.5
197.04483	2.1
198.38255	0.5
221.11845	0.5
259.24225	0.4
312.80350	0.4
323.07809	0.9
340.08383	1.0
368.07489	0.5
393.44125	0.5
545.20245	2.6
545.34888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24052	2.1
57.03459	5.2
59.01388	54.4
60.99310	13.1
61.70960	2.0
61.98841	11.3
71.01397	15.1
72.99317	31.2
73.02953	3.6
77.20482	2.0
83.01378	3.4
85.02944	6.6
88.98819	66.5
89.02448	5.4
98.22655	4.3
99.04515	3.9
101.02477	11.1
105.97210	2.2
113.02463	10.1
116.92872	6.8
123.04564	3.7
132.02182	11.2
133.02982	27.8
134.03770	18.6
135.03603	3.6
135.04543	33.2
136.05228	3.6
137.09795	2.2
149.06076	2.3
151.03970	3.7
159.04498	2.6
160.01680	49.1
161.02473	100.0
161.04541	5.4
162.02832	6.5
173.81850	2.3
175.04027	40.1
176.04738	4.9
178.02748	3.8
179.03519	16.0
189.60684	2.4
191.07129	8.3
191.10820	13.5
193.05096	27.2
197.04581	7.2
203.10789	8.6
207.06628	3.9
219.10213	8.1
231.10320	5.5
235.06123	34.0
265.07211	21.0
275.09299	6.9
293.10373	72.2
295.08270	36.9
321.04041	3.3
355.10355	3.6
356.51334	2.5
359.07782	3.9
455.13504	14.0
485.31122	4.7
545.24133	7.3
545.33966	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	545.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00996	1.3
57.03457	1.5
59.01385	10.5
61.98829	3.0
71.01400	1.1
72.99315	6.9
87.00941	1.3
88.98826	8.4
89.02472	1.2
99.04508	1.6
109.02967	2.0
116.92874	9.2
117.89317	1.1
123.03280	1.3
123.04641	1.2
132.02174	2.4
133.02980	27.5
134.03778	1.5
135.04555	12.2
136.04071	2.5
142.06604	1.5
148.04054	1.3
149.04855	2.3
150.05603	16.5
151.04050	1.4
161.02463	100.0
162.02817	3.3
165.04341	1.5
179.03561	7.4
186.64839	1.4
194.04593	13.9
195.02974	4.0
197.11903	1.4
208.06221	2.3
226.07207	14.6
253.09367	1.9
266.06711	1.3
286.81232	1.2
305.23108	1.4
309.20819	2.6
325.27505	1.7
365.11484	3.1
383.12598	17.9
388.10355	7.2
545.34583	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98506	5.0
63.30573	4.4
68.41227	4.6
69.52384	4.4
78.95913	100.0
82.34536	4.7
90.24223	4.6
91.01409	4.4
99.92603	32.9
110.98547	18.0
115.92115	17.7
116.92860	17.9
121.04018	5.9
160.87616	5.8
164.90504	11.7
164.99571	7.5
167.01173	14.3
169.15762	4.9
178.88446	22.0
179.89232	21.5
180.90018	16.5
181.90759	15.7
193.90816	46.2
194.91624	26.5
196.89496	99.1
210.91075	13.9
250.94264	7.6
266.93808	7.1
390.57901	4.7
434.08163	5.1
443.11899	4.9
527.15112	18.0
541.13263	12.1
545.16156	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.5
69.40931	2.8
71.01366	1.1
72.99325	1.2
109.02870	0.9
125.17562	0.6
135.04504	1.7
146.24992	0.6
161.02499	0.7
164.12993	0.6
179.03572	0.9
185.02467	0.6
237.09224	7.8
238.09758	0.9
251.10785	25.9
252.11287	2.2
253.12366	100.0
254.12766	4.7
290.31335	0.7
308.97479	0.7
321.04135	0.9
341.13913	1.1
358.41528	0.6
358.64987	0.7
457.18729	4.6
459.16800	1.9
501.17514	4.2
545.20410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33200	0.5
53.02825	0.4
54.39505	0.5
59.01386	6.1
63.42103	0.5
71.01385	1.1
101.30371	0.5
108.11896	0.4
135.04526	0.7
196.02525	0.6
235.11360	0.6
237.09230	8.1
238.09953	1.0
251.10802	22.8
252.11351	1.7
253.12364	100.0
254.12714	5.4
279.10281	0.9
354.73364	0.5
415.17697	0.7
457.18713	4.9
459.16547	1.2
501.17770	3.4
511.93695	0.5
537.93213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	100.0
59.01387	83.4
60.99318	5.0
61.98839	2.6
63.06946	1.0
67.18623	0.9
69.20877	5.8
71.01387	5.6
71.95510	0.8
72.99351	2.2
73.02955	3.4
75.50358	0.9
81.03455	2.8
83.01409	1.4
85.02986	1.3
88.98814	27.4
89.02458	2.6
99.04533	83.8
101.02457	16.8
113.02465	3.0
119.03521	1.0
125.02463	30.0
133.02994	5.1
134.03729	1.4
135.04510	6.2
137.67812	1.0
143.03539	1.6
151.04031	1.9
155.54146	1.0
161.02466	16.7
161.04576	2.5
178.02721	2.8
179.03522	2.9
253.09351	2.5
261.89392	1.0
278.07080	1.4
291.19577	2.3
293.10150	4.3
309.20770	6.0
322.53223	1.0
331.71536	1.0
333.39597	1.2
368.03986	1.0
403.13232	1.0
455.13458	2.0
504.32703	1.3
545.33789	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	545.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32012	4.3
57.03458	95.5
59.01384	74.6
61.98835	5.9
66.29491	3.9
71.01366	6.8
72.99316	8.8
73.02963	14.8
76.10255	3.3
83.01411	5.4
95.80003	3.7
99.04534	100.0
101.02449	31.3
103.70967	3.9
109.03008	5.4
113.02485	5.2
121.02914	3.7
123.04525	6.3
125.02445	25.6
133.03036	4.0
135.04524	20.4
136.04909	5.5
143.03505	4.3
161.02448	13.0
179.03500	12.7
197.04686	8.9
212.01166	3.8
231.34685	3.8
248.55948	3.5
251.10844	24.1
252.11096	18.1
253.11465	14.6
277.05191	4.6
284.52411	4.6
321.04147	9.4
339.05023	10.4
452.92892	4.0
502.27213	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	545.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	43.1
61.98842	13.6
67.49704	1.8
69.17411	7.7
69.17825	4.4
69.67152	1.9
71.01402	11.0
72.99316	13.1
73.02942	4.3
85.02959	3.9
89.02460	6.1
101.02446	7.1
109.03003	2.8
113.02418	6.1
115.69593	2.3
116.92905	2.4
117.03448	3.0
119.85197	2.0
123.04539	4.9
132.02177	26.1
133.02968	15.3
134.03763	36.9
135.04552	40.5
136.04826	3.4
137.09772	6.0
146.06061	2.0
147.04579	2.6
149.06110	5.1
150.03244	4.0
151.03992	3.3
160.01683	100.0
161.02463	43.6
162.02890	2.9
175.04022	75.7
176.04683	7.0
177.01808	2.2
178.02742	4.7
179.03497	14.1
190.89832	2.4
190.91614	2.2
191.07173	12.1
193.05075	40.6
197.04543	15.7
197.89676	2.2
207.06589	6.3
217.05029	3.7
219.02753	4.1
220.03699	2.1
235.06128	52.5
249.05531	2.5
252.06998	2.6
265.07196	31.7
295.08234	52.2
321.04010	4.8
355.10446	10.5
359.07687	16.2
383.07623	4.6
456.37598	2.8
485.31323	3.0
545.24091	9.6
545.33789	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	545.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29755	17.2
59.01368	38.3
65.68819	16.4
69.06389	36.9
69.06792	100.0
72.97462	15.4
98.21857	31.2
101.48748	16.4
118.31573	18.7
169.59944	21.7
177.13354	15.8
206.87263	18.1
319.58563	17.4
401.71689	17.8
485.52795	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	545.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16948	0.9
57.68217	0.9
58.33980	0.8
64.12695	0.8
70.34692	1.0
70.35041	1.2
78.95911	5.8
98.22557	1.1
99.92579	1.7
100.93378	1.0
116.92831	1.2
120.24637	0.8
179.89142	1.1
193.90802	2.6
194.91534	0.9
196.89522	3.6
393.38843	0.9
423.32648	1.0
471.34808	100.0
472.35049	6.0
487.86026	1.0
527.15729	1.5
545.16479	2.9
545.28094	59.3
546.28394	3.8
554.57147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.1
61.98835	0.7
70.92941	0.7
70.93256	0.7
73.68462	0.6
161.02477	0.7
182.19649	0.6
183.57228	0.7
273.27335	0.7
409.31293	1.5
487.34332	61.8
488.34729	6.5
545.30145	100.0
546.30536	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83572	0.7
63.73526	0.6
69.99995	2.0
93.71214	0.6
132.23625	0.7
136.18729	0.7
146.98720	0.7
163.67639	0.6
211.09029	0.6
313.14499	1.6
487.34360	63.9
488.34723	4.7
545.30170	100.0
546.30573	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	545.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94736	0.5
62.74575	0.4
69.12056	2.5
115.90231	0.5
263.20074	0.6
395.47113	0.5
434.54031	0.5
487.34317	61.8
488.34634	4.2
545.30145	100.0
546.30518	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	545.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.9
69.12278	0.6
71.05016	1.3
89.96186	0.6
90.18398	0.7
98.21894	2.0
106.50883	0.8
111.04321	0.7
111.05157	0.6
127.22708	0.8
205.82719	0.7
271.46878	0.6
410.14676	0.8
423.32623	1.1
427.31921	1.9
443.35641	0.9
467.31433	1.6
469.33163	13.3
487.34323	26.3
488.34686	1.7
531.51166	0.8
545.30170	100.0
546.30475	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	545.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81506	0.7
67.95411	0.8
69.26674	0.9
87.24902	1.0
87.60985	0.8
89.27299	0.8
98.22694	1.7
128.81087	0.8
133.16884	0.8
195.06679	1.1
209.02408	0.9
485.32703	1.4
487.34360	68.0
488.34753	5.2
545.30096	100.0
546.30267	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	545.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.0
57.03457	1.8
58.50332	0.7
59.01386	100.0
61.98833	2.0
69.60728	2.0
71.01392	12.9
71.35225	0.6
72.99319	0.8
73.02951	5.2
74.80831	0.6
83.01405	4.6
85.02959	8.0
87.00892	0.9
89.02478	0.8
95.01418	1.0
96.96067	0.8
97.02987	0.9
97.06643	2.1
98.21939	1.2
99.00902	2.0
99.04518	1.2
101.02456	9.3
102.36371	0.6
111.00890	0.8
113.02473	5.4
124.01762	0.8
125.02465	1.8
133.02948	0.7
135.04559	2.6
137.02489	1.4
141.01880	0.8
143.03505	1.4
159.03084	1.2
161.02504	2.6
161.04630	2.5
179.03618	0.9
197.04602	0.9
281.24915	0.7
305.24997	1.9
309.21039	1.0
341.27148	2.7
375.24127	1.0
413.25610	1.1
425.29132	0.9
449.29279	2.3
455.30365	1.2
459.33978	0.7
467.30392	4.1
485.31247	20.7
486.31329	0.8
503.32327	18.7
504.32880	1.6
545.18787	1.3
545.33575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3491
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
55.01888	0.7
59.01389	19.4
63.87764	0.7
69.75906	1.9
71.01378	1.8
71.05025	5.1
78.91901	12.7
83.05025	1.0
85.02955	0.9
89.02452	1.2
97.69739	0.6
101.02438	1.6
111.08189	1.5
113.02454	0.8
129.80370	0.6
135.04562	1.3
142.44493	0.6
161.02486	0.9
161.04610	0.9
197.11877	5.0
253.09386	3.5
269.06589	0.7
291.19745	1.9
298.47842	0.6
305.86472	0.6
309.20718	5.9
355.26492	0.7
411.32941	0.8
427.32175	2.3
439.32278	1.6
459.34912	1.1
485.32712	4.7
503.32953	1.0
527.34198	1.6
545.34900	100.0
546.35193	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	546.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28420	0.7
57.23931	0.8
59.01384	37.1
61.98836	100.0
64.92877	0.8
69.07211	4.0
69.07610	1.5
70.24467	0.7
71.01384	4.3
72.99296	1.5
73.02956	8.1
83.01392	2.8
89.02441	1.9
91.17770	0.8
95.94822	0.8
101.02456	8.4
109.69767	0.7
113.02473	3.2
133.02965	2.9
135.04527	3.7
143.03531	0.9
149.04539	1.0
161.02490	7.5
161.04567	2.3
179.03554	1.3
182.81544	0.7
198.81822	0.8
205.08766	1.3
223.57701	0.8
307.05090	1.1
503.19260	2.0
545.34900	1.5
546.35309	1.9
547.18243	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	546.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.1
59.31117	4.3
61.98843	4.8
69.69179	15.0
77.68491	5.6
81.44407	4.8
116.92899	5.3
135.04597	5.8
161.02423	6.0
165.94675	4.5
259.26709	4.8
354.40253	4.3
439.92480	5.5
503.33847	100.0
504.33524	9.5
546.33795	36.1
551.10870	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	547.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.8
69.83045	1.2
69.90077	1.6
69.90417	3.7
76.40434	1.2
98.22635	1.7
102.03448	1.1
107.24995	1.2
108.02187	2.5
109.02961	61.0
113.81277	1.1
123.04577	1.3
133.02951	1.6
135.04532	3.4
137.02486	1.2
145.02988	2.2
147.04533	1.8
148.01747	1.7
149.02419	1.9
157.02942	3.1
159.04547	1.6
161.02475	2.9
161.04526	1.4
165.01970	1.6
173.02420	3.0
177.66560	1.4
179.03525	3.1
185.02438	37.0
186.03250	13.2
193.06601	1.4
207.02916	2.7
209.06033	3.8
221.06137	3.8
222.07057	1.4
223.07695	1.2
224.04739	4.1
225.05635	7.7
239.07156	3.0
248.04832	3.6
249.05621	11.5
250.06284	3.0
251.03502	3.4
252.04337	5.8
265.05035	4.1
266.05829	4.5
267.06638	9.7
276.04221	3.4
277.05096	15.4
278.05792	1.7
279.03015	6.0
280.03842	9.4
292.04199	1.2
293.04465	6.1
295.06134	37.9
296.06485	1.5
302.14136	1.5
321.04065	14.7
339.05099	100.0
340.05392	5.3
425.30948	1.4
489.52258	1.4
515.01672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18406	0.2
59.01373	1.3
65.90905	0.2
67.41696	0.2
68.32001	0.2
71.01382	0.5
72.99322	0.5
85.02985	0.3
89.03999	0.2
95.05048	0.3
101.53588	0.2
105.03479	0.8
107.05063	0.3
109.02956	0.9
117.03471	0.7
119.05038	0.9
121.02962	0.5
123.04588	0.3
132.02184	2.7
133.02971	36.9
134.03668	1.1
135.04543	16.4
145.02979	0.3
147.04529	0.5
149.02463	2.1
149.06099	0.6
150.03311	0.3
160.01657	0.6
161.02461	100.0
162.02847	1.7
163.04007	1.5
164.04787	1.4
173.02390	0.3
175.00374	0.6
175.04007	1.2
176.01212	0.4
177.05576	0.8
179.03519	17.3
180.03806	0.4
189.05429	0.3
190.02670	1.2
191.03516	1.3
195.32010	0.3
197.04567	0.5
203.03539	2.6
205.05070	2.4
206.05852	1.0
207.03014	0.6
208.03854	0.5
209.04594	0.6
217.01678	0.2
221.04510	0.7
221.08168	1.2
223.06181	2.1
228.33395	0.2
239.40668	0.2
250.04837	0.4
251.05618	0.8
255.02985	0.2
256.03830	0.6
257.04614	3.0
265.07224	2.0
281.06686	0.7
295.08258	0.7
311.07663	0.9
323.07510	0.4
325.09320	1.1
339.04993	0.4
341.08737	1.3
353.08786	2.0
367.10339	2.4
371.09787	0.9
385.11258	0.5
443.09967	0.3
487.12311	0.4
547.14673	6.9
547.21893	0.4
547.28082	0.4
548.15088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	5.0
69.93508	2.2
69.93849	4.5
71.01374	5.2
78.95911	100.0
80.03020	1.5
83.59084	1.4
99.92596	31.6
100.93382	8.6
110.98542	15.0
112.17327	1.8
115.92096	13.7
116.92867	18.3
148.91081	2.5
152.99596	1.8
154.94342	1.6
163.89722	5.8
164.90529	12.7
164.99614	5.1
167.01161	11.4
172.95457	1.8
178.88451	20.3
179.89247	30.2
180.90036	24.5
181.90852	11.7
193.90799	48.7
194.91594	26.8
195.92395	2.8
196.89493	94.8
206.59941	1.6
210.91028	13.2
218.91653	1.9
224.29994	2.0
235.91881	4.2
236.92395	2.0
248.92584	5.4
249.93520	2.7
250.94257	7.6
252.92174	3.1
266.93674	9.9
267.94406	6.3
279.23285	10.9
379.15543	3.5
456.13406	1.7
499.15115	2.4
529.16626	20.3
543.14612	10.6
547.17749	94.9
548.17871	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	547.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01914	0.2
59.01386	2.1
59.31622	0.2
61.98845	1.2
68.89043	0.3
69.32224	0.7
69.32620	0.4
71.01395	2.5
72.99306	0.9
73.02948	0.7
74.01552	0.2
75.99746	0.2
83.01396	0.6
85.02971	1.4
87.00859	0.3
89.02468	0.6
93.03458	0.9
98.22701	0.4
99.00895	0.5
101.02446	1.7
109.02990	0.3
113.02495	1.2
113.03132	0.2
117.02646	0.4
117.03479	8.4
119.05042	54.4
120.05363	1.1
123.04528	0.3
125.02492	0.3
133.02997	1.1
134.03703	0.2
135.04536	2.2
145.02969	22.6
146.03305	0.3
161.02458	3.1
161.04591	0.7
162.02814	0.8
163.04028	100.0
164.04350	2.3
179.03503	1.1
197.04564	0.7
204.42680	0.2
221.11978	0.3
256.03735	0.2
257.04489	0.5
269.10284	0.3
294.05914	0.2
341.06750	0.4
343.12854	0.4
401.14468	0.3
437.78448	0.2
468.27118	0.2
547.18011	6.6
548.18610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91292	0.5
57.38423	0.4
57.50454	0.4
57.50729	0.5
59.01387	5.5
65.00338	0.5
71.01389	3.4
71.43004	0.6
72.99304	1.4
73.02945	1.3
75.21077	0.4
78.78893	0.4
85.02961	1.2
86.91390	0.4
89.02453	1.3
91.01910	1.9
93.03479	1.0
96.96017	1.7
99.00857	0.7
101.02454	2.1
104.14960	0.5
107.05033	0.5
109.02944	0.7
113.02461	1.1
117.03443	1.9
119.01389	6.1
119.05035	2.2
121.02965	2.3
123.04528	0.7
133.02994	1.4
134.03725	1.8
135.04550	6.9
137.02510	0.5
145.02965	8.7
146.03758	47.1
147.00890	5.1
147.04408	2.0
149.02463	13.2
149.04381	0.6
150.03233	1.4
152.01196	0.7
153.01895	0.7
161.02475	4.2
161.06094	16.4
162.03171	1.4
163.04041	4.6
164.04816	44.5
165.01968	2.3
165.05284	1.0
175.00381	37.0
176.01030	1.5
177.01926	1.2
177.05495	0.7
179.03561	1.4
179.07155	48.2
180.07494	0.9
189.01964	1.4
190.02736	87.2
191.03323	2.9
193.01422	1.3
194.02103	0.5
197.04536	1.3
200.33089	0.5
205.05075	100.0
206.05376	2.2
208.03763	1.8
209.04520	1.2
221.08266	0.9
223.06134	19.5
232.03830	0.6
247.06183	1.5
265.07156	0.8
307.08090	0.8
337.05615	0.6
345.22302	0.5
352.07855	0.9
359.07965	0.6
367.10358	95.9
368.10733	3.9
421.00757	0.6
466.71747	0.5
502.46613	0.5
532.15753	1.2
547.18311	43.3
547.27399	4.0
548.18481	3.1
554.45575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25087	0.3
59.01387	5.3
61.98818	1.0
68.39553	0.4
69.28132	2.0
71.01385	1.9
73.02953	1.0
74.34785	0.4
74.38148	0.4
81.03442	0.6
83.01409	0.4
85.02975	1.0
91.01894	4.5
92.78658	0.4
96.96032	1.5
101.02431	0.7
105.03455	1.0
109.02977	0.7
113.02502	1.0
117.03476	1.5
121.02946	0.6
122.03760	0.8
131.01416	0.7
132.02159	1.7
133.02971	32.1
134.03700	1.6
135.04544	21.7
135.11836	1.9
136.04880	0.5
137.02473	0.6
137.09743	3.4
145.02934	0.8
148.05449	0.4
149.06105	1.0
161.02458	100.0
161.09715	2.8
162.02818	1.7
175.03989	1.0
177.01865	0.5
177.05632	2.9
179.03520	13.5
179.10786	22.9
180.03995	0.5
180.11003	0.6
187.00369	3.7
203.03543	1.0
203.40227	0.4
205.01381	0.7
205.08705	19.3
206.08984	0.6
221.04549	2.7
223.09770	8.7
225.75204	0.5
233.08545	3.6
263.05634	0.5
323.07748	12.0
397.01096	0.5
424.87033	0.5
503.19266	34.2
504.19705	1.6
529.17157	1.5
546.35339	3.1
547.18262	69.3
548.18591	4.1
562.39337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76409	0.5
54.57045	0.5
55.01883	1.4
57.03453	2.9
59.01385	100.0
61.98837	3.4
62.70137	0.4
68.77737	0.4
69.03450	0.7
71.01393	11.3
72.99340	0.6
73.02952	4.9
73.41410	0.4
73.64445	0.5
83.01389	6.1
85.02960	8.9
86.00120	0.7
87.00917	1.1
89.02479	1.4
93.07091	2.4
95.01431	1.7
97.02953	0.8
99.00918	2.1
101.02457	10.3
111.00895	1.3
111.08260	0.5
113.02463	7.5
116.92913	1.4
125.02467	1.5
129.01991	1.1
133.02948	0.6
135.04573	2.1
137.02481	0.5
143.03552	2.2
159.03070	1.1
161.02504	2.0
161.04572	4.7
179.03555	1.4
185.44753	0.6
187.07735	0.5
211.16971	0.6
213.18561	2.3
225.18675	0.5
279.23288	1.1
297.24316	0.6
313.27719	0.6
325.27817	0.7
343.28525	4.2
344.28912	0.7
348.11560	0.6
357.22723	3.2
375.23938	4.4
469.32022	0.9
487.32813	36.5
488.33270	1.2
505.33899	21.5
506.33969	1.0
547.34650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84270	0.8
55.01893	0.8
57.03455	2.4
59.01385	100.0
60.99313	0.8
61.98848	4.3
71.01386	19.6
71.05048	1.0
72.99315	1.7
73.02951	6.4
75.33527	0.7
83.01414	2.7
85.02962	8.7
87.00895	2.7
88.87827	0.8
88.98828	1.6
89.02461	10.5
95.01427	2.3
97.02978	0.9
97.06615	0.9
99.00881	1.6
101.02464	16.0
111.00873	1.4
113.02469	12.3
116.92864	1.5
119.02782	0.8
119.03458	4.4
125.02531	1.5
133.02997	1.4
135.04588	2.7
143.03490	1.5
157.12410	2.2
159.03122	0.8
161.02463	3.7
161.04559	4.0
171.13992	1.5
179.03636	1.1
179.05568	1.5
222.32393	0.8
275.83365	0.8
325.27689	1.6
343.28564	9.4
367.28860	2.6
421.89572	0.8
427.30228	0.8
469.32147	1.0
487.32816	29.2
488.33707	2.1
505.33862	16.4
505.40494	1.2
506.34619	1.1
547.03076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54032	7.8
61.98838	100.0
80.42819	8.1
92.72134	8.3
98.22710	19.8
160.06163	7.6
175.11465	8.0
176.37022	9.4
186.10391	8.1
194.43552	9.2
488.34598	10.7
548.30328	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	549.0891
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
65.00320	2.1
65.52671	2.3
69.43468	10.6
109.02969	2.8
151.00380	9.1
163.00365	3.4
178.81360	1.9
178.99844	2.7
227.03580	2.9
243.02995	10.3
255.03032	26.4
271.02505	54.9
272.03064	3.1
281.52521	2.3
293.94705	2.7
299.01962	3.0
300.02789	100.0
301.03519	41.4
363.16681	2.6
462.04770	2.3
463.08838	3.6
505.09964	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02722	0.3
61.98827	0.5
69.72838	0.7
69.73224	0.8
77.03987	1.6
82.05476	0.3
85.76515	0.4
98.22639	0.4
111.27261	0.4
121.02967	100.0
122.03289	1.3
147.04449	0.4
165.01949	49.7
166.02306	0.9
173.91002	0.3
179.05014	0.4
180.05894	0.4
181.06586	2.2
197.06107	2.7
205.61305	0.4
207.04604	0.5
225.05598	1.4
237.47931	0.4
257.09796	1.0
313.07239	1.2
357.06348	0.7
383.07959	0.6
417.09979	2.3
505.11307	1.8
549.10431	22.2
550.10828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77260	0.3
69.81428	0.8
69.81783	1.0
69.88035	0.4
72.99318	0.7
80.91251	0.3
88.54083	0.4
91.24809	0.3
93.03440	0.4
98.40038	0.4
108.02148	0.5
109.02965	22.6
113.04018	1.1
121.02956	0.6
123.04563	1.1
133.02969	1.0
135.04530	0.9
137.02458	1.8
145.02985	0.5
147.04520	1.2
149.02454	1.0
150.03252	3.0
151.04016	2.1
157.02989	0.9
158.03778	0.5
159.04517	1.0
160.01643	0.7
161.02441	1.3
173.02446	1.0
175.04057	1.0
184.01619	0.6
185.02460	13.0
185.04092	0.7
186.03241	3.8
193.06599	2.0
195.03046	1.6
195.04630	0.8
197.06143	0.6
201.01912	0.5
204.05920	0.8
205.06555	0.4
208.05266	0.4
209.06111	1.6
211.07660	0.8
219.04512	1.3
220.05339	1.1
221.06064	4.1
223.04091	0.9
224.04784	1.1
225.05542	2.3
227.05666	0.6
229.01488	0.8
232.05327	1.0
235.04224	0.5
236.04732	0.7
237.05536	2.1
239.07109	0.7
247.04076	1.5
248.04787	3.3
249.05598	8.2
250.02727	0.5
250.06157	0.9
251.03520	5.1
252.04201	2.8
253.04929	0.6
259.04193	0.6
260.04782	0.5
263.03625	0.8
264.04288	1.2
265.02594	0.2
265.05072	8.2
266.05881	1.4
267.06650	3.4
275.03409	1.3
276.04291	1.7
277.05106	11.4
278.02423	0.5
278.99942	0.7
279.03018	14.0
280.03711	5.0
292.03769	0.7
293.04590	10.1
294.05179	0.7
295.06152	15.1
303.03000	2.2
321.04062	100.0
322.04391	5.0
339.05106	28.9
340.05420	1.6
387.16818	0.6
444.82837	0.5
549.10443	6.7
550.11237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11913	0.7
58.85836	0.7
72.99297	1.5
90.13423	0.6
100.74038	0.7
108.02181	0.9
109.02962	19.5
109.51171	0.6
113.03941	1.1
122.00182	0.6
123.04552	1.0
133.02945	0.7
134.03714	0.8
135.04527	4.2
136.04773	0.7
137.02457	1.5
145.03033	0.7
147.04520	0.6
149.02438	1.4
150.03247	3.3
150.80132	0.8
151.04015	1.1
157.02885	1.4
159.04565	0.8
161.02463	2.9
173.02467	0.7
175.03976	1.1
179.03516	0.9
184.01630	0.7
185.02441	13.3
186.03265	3.4
193.06570	1.4
195.02995	1.4
195.04587	0.9
197.04552	2.0
205.06532	0.8
209.06126	1.4
211.07614	0.8
217.66379	0.6
219.04526	1.3
220.05304	1.6
221.06114	3.5
223.04102	1.5
223.07768	0.7
224.04764	0.9
225.05589	2.6
235.04045	0.8
236.04752	1.3
237.05576	2.1
239.07149	1.5
247.04085	1.6
248.04852	2.5
249.05611	8.2
250.06274	0.9
251.03578	4.7
252.04240	2.6
260.04782	0.9
263.03394	1.1
264.04251	1.0
265.05035	7.2
267.06708	3.1
275.03561	1.4
276.04376	1.8
277.05029	10.6
279.03030	15.4
279.05966	1.3
280.03726	5.1
292.03815	1.1
293.04623	11.2
294.05225	1.2
295.06131	12.8
296.06381	0.9
303.03009	1.9
307.05896	0.7
321.04056	100.0
322.04291	4.5
339.05099	26.4
340.05365	1.2
509.11774	0.8
549.10382	5.9
550.11194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77963	2.4
59.01386	22.2
60.06791	1.9
60.72620	2.1
71.01392	12.4
71.37704	2.2
72.99306	2.1
73.02975	3.1
85.02933	4.9
89.02466	15.4
93.03458	2.2
93.78790	1.9
97.73918	2.5
101.02451	11.2
113.02471	3.8
119.01385	3.2
119.03522	3.7
121.02970	6.0
135.04520	7.0
137.02371	2.4
139.27087	2.3
147.00880	4.1
147.04465	3.5
149.02469	37.3
159.49727	2.2
163.04019	5.1
163.06213	5.3
164.04831	37.7
165.05444	2.6
175.00374	30.5
179.07156	6.9
181.07109	6.8
190.02731	85.2
191.03357	7.8
197.04611	2.2
205.05083	93.8
206.05852	11.1
208.03847	4.7
221.08231	11.1
223.06134	96.9
237.07677	3.6
250.04805	2.7
265.07196	35.5
278.91986	2.2
295.08514	5.3
325.09259	7.6
339.05090	3.8
343.12546	4.6
367.10318	2.8
385.11475	3.1
413.48648	2.6
549.18329	100.0
550.18707	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	549.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
59.01386	41.8
69.44170	0.4
71.01389	7.3
71.23975	0.5
73.02957	0.4
75.64978	0.4
83.01398	0.3
85.02970	1.6
89.02451	8.2
101.02460	4.7
105.03461	0.4
113.02459	2.9
117.03490	0.5
119.03535	3.0
119.05009	0.8
132.02133	1.9
133.02977	34.4
134.03831	0.8
135.04549	6.3
136.04892	0.5
145.10178	0.5
153.32806	0.4
161.02466	100.0
162.02843	2.0
163.04045	0.6
163.11336	3.8
177.05482	0.5
179.03510	3.2
192.29657	0.4
207.10306	6.9
221.04585	0.5
321.04056	0.8
387.16632	83.7
388.17020	3.8
489.17529	1.3
531.19183	0.5
549.19763	44.8
550.20306	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	549.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.19818	0.7
58.44730	0.8
58.47141	0.8
59.01385	41.2
60.99297	1.6
61.98835	7.5
68.99820	0.9
69.40572	3.4
71.01384	17.6
71.42445	0.7
72.99314	0.8
73.02959	4.4
73.34498	0.7
75.00840	0.8
83.01402	1.6
85.02962	5.8
87.00877	3.7
88.98815	10.1
89.02451	15.3
95.01385	2.5
96.96016	2.5
97.02946	0.9
97.22210	0.7
99.00893	1.3
101.02445	12.4
108.64532	0.8
109.02964	2.9
113.02464	11.4
115.66310	0.9
119.03516	5.3
121.02988	1.2
125.02449	2.0
131.03513	3.3
133.02930	1.2
135.04553	3.5
143.03464	1.4
161.02460	2.7
161.04582	6.4
163.11333	2.4
165.01932	1.7
167.03561	0.9
177.01846	1.2
179.03522	1.6
179.05652	3.1
207.10315	2.4
221.06677	11.6
303.05316	1.0
474.50891	1.0
549.21930	100.0
550.22180	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	549.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.50807	0.2
55.55698	0.1
57.03451	0.5
59.01383	3.5
69.23967	1.0
71.01385	2.4
71.70621	0.1
72.99335	0.3
73.02949	1.1
77.03984	0.2
83.01403	0.8
85.02951	1.9
86.00140	0.2
87.00874	0.2
89.03958	0.4
91.05530	0.2
99.00884	0.2
101.02444	1.7
105.03474	0.7
107.05067	0.3
109.02926	0.3
111.00891	0.2
113.02436	0.7
115.01892	0.3
117.03480	3.3
119.05074	0.7
121.03003	0.2
123.04559	0.3
132.02182	2.2
133.02972	37.7
134.03697	1.4
135.04544	9.8
136.04843	0.3
137.02448	0.4
145.02966	5.1
159.02979	0.2
161.02461	100.0
162.02794	2.1
163.04121	0.8
163.05206	0.2
167.10880	0.1
178.02777	0.3
179.03514	4.2
189.12888	0.3
221.04482	0.2
249.89151	0.2
281.04376	0.2
283.74667	0.1
344.83493	0.2
355.04602	0.2
369.06158	0.3
457.42252	0.2
463.05762	0.2
505.26440	0.2
541.06842	0.2
549.23407	72.9
550.23755	6.1
550.32190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26258	0.6
59.01385	8.6
71.01410	1.3
71.42950	0.6
73.02951	0.6
83.01402	0.8
84.56659	0.5
85.02964	1.5
88.98833	1.5
89.03980	0.5
90.99570	0.5
101.02470	2.0
106.45795	0.5
109.02968	2.1
117.03450	1.1
118.04331	0.5
123.04544	1.6
132.02177	1.9
133.02974	32.9
134.03714	1.8
135.04549	11.8
137.02484	0.7
145.02991	0.9
151.04057	0.5
153.05531	0.6
161.02464	100.0
162.02817	2.1
163.11301	1.2
175.00392	0.6
178.02763	0.7
179.03525	7.1
179.60777	0.6
185.02472	2.0
189.12939	1.0
196.50400	0.5
205.05157	0.7
207.13898	0.5
249.05528	0.8
267.06622	0.5
278.70160	0.5
279.03073	0.8
280.04037	0.5
287.01898	1.0
292.03604	0.5
295.06036	0.8
315.01483	4.3
321.04071	6.1
330.03784	4.2
331.04367	0.7
335.01920	1.1
336.02844	0.7
339.05051	1.8
345.06207	6.5
351.05127	3.0
367.10043	0.8
369.05991	1.1
549.23175	74.6
550.23706	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03453	2.2
59.01387	100.0
60.01718	0.5
61.98844	0.6
69.03479	0.9
69.07917	1.6
69.08334	0.7
71.01392	13.5
72.99321	0.5
73.02957	5.1
83.01398	3.4
83.83278	0.3
85.02966	8.9
86.00130	0.5
87.00873	0.5
87.78950	0.3
89.02457	1.2
95.01394	1.8
97.02978	1.4
98.21841	0.4
99.00906	1.9
101.02455	8.2
111.00903	0.7
112.01719	0.6
113.02468	9.4
114.02776	0.3
115.04050	0.7
124.01720	0.6
125.02499	1.3
133.03003	0.6
135.04515	1.8
141.01945	0.3
143.03519	3.4
148.68022	0.3
157.12387	0.9
159.03043	1.0
161.02480	2.4
161.04558	3.7
171.13939	0.4
172.46443	0.3
179.03490	0.5
297.24588	0.9
299.25983	2.8
345.30154	9.5
346.30515	0.4
387.31302	0.6
441.32111	0.7
453.32312	0.5
459.33365	0.9
489.34378	33.1
490.34897	1.8
507.35419	18.3
508.36273	1.0
549.36963	1.7
578.00488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12428	2.5
61.98836	82.1
69.10489	2.0
69.22433	2.0
69.38181	4.9
69.38574	4.8
72.99314	24.4
88.98824	1.9
90.21563	2.1
92.05090	3.3
102.75069	2.2
108.02140	2.5
108.04529	3.6
109.02966	100.0
112.14117	2.0
120.04553	6.4
120.05414	2.1
121.02940	3.8
122.02481	19.6
135.04530	6.9
136.04053	26.3
138.05591	2.6
145.02969	4.0
147.04520	7.0
148.04092	13.6
149.02496	4.6
151.02831	2.3
159.04521	19.7
161.02441	2.7
165.05470	2.4
166.05112	39.3
179.03557	2.5
185.02457	27.2
186.03278	10.3
192.03003	7.2
193.01735	2.2
197.04457	3.5
209.06131	3.3
210.04108	15.5
218.54820	2.4
239.07144	5.8
249.05577	5.9
251.03572	2.5
252.04404	4.4
255.06651	3.3
267.06647	8.0
269.08191	28.9
277.05045	10.0
280.03711	6.9
295.06161	27.1
313.07272	8.9
321.70419	2.3
339.05127	83.2
340.05365	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	550.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88530	0.5
57.50883	0.5
72.99313	14.0
105.03485	0.8
107.03214	0.5
108.02219	1.5
109.02961	4.0
112.14626	0.6
117.03412	0.8
121.02985	0.9
123.00890	2.0
123.04522	1.3
124.01646	0.8
132.02179	2.0
133.02971	33.0
134.03653	0.7
135.04547	13.1
137.02455	7.8
138.03239	2.5
142.99263	0.6
147.03227	0.9
148.04088	1.2
149.02466	11.3
150.03239	2.9
151.04008	0.9
160.01729	0.6
160.04018	1.1
161.02463	100.0
162.01733	0.7
162.02812	1.9
164.03590	0.7
165.05612	1.3
174.05621	0.8
175.03970	0.6
179.03517	8.1
185.02428	1.7
197.04581	2.1
218.04562	0.7
221.06075	0.7
236.05467	0.8
237.05644	0.8
239.05879	0.8
249.05708	0.9
251.03429	1.1
252.06805	1.0
253.07433	0.8
265.05002	1.3
267.05435	2.2
268.06232	2.1
269.06961	1.9
270.07730	1.1
276.04388	0.8
277.05157	1.3
279.02942	1.8
279.05447	4.5
280.03415	0.8
280.06055	2.7
282.07843	1.5
284.05710	5.6
292.03845	1.0
293.04572	4.2
294.05072	1.7
295.04916	3.2
296.05704	3.3
297.06522	1.6
298.07535	0.8
299.07999	3.0
312.05414	0.9
312.08865	2.3
314.07025	1.1
314.10178	4.2
320.02991	0.7
321.04117	4.7
322.04294	1.3
324.05093	1.7
339.05008	1.8
340.04843	1.4
347.18964	0.9
353.06689	10.3
355.07086	1.2
356.07727	3.2
358.05676	4.8
358.09454	0.8
373.07990	4.4
388.10425	55.3
389.10620	3.0
550.11267	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	550.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39587	80.6
58.14090	80.2
59.46874	85.1
61.18925	87.6
70.74834	93.2
79.86127	81.1
86.99879	96.3
248.40988	100.0
275.75171	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	73.3
70.98188	32.7
72.80056	25.0
73.38595	26.4
92.94505	25.8
133.02966	42.6
135.04546	62.9
154.92155	25.0
161.02428	100.0
161.93423	26.7
196.24147	28.0
315.46530	31.0
321.57562	34.0
356.14334	26.6
416.33585	31.3
518.84839	32.7
543.76166	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	10.0
59.77034	3.9
61.98843	22.0
71.42416	5.2
74.92172	2.9
99.03914	7.0
99.04535	100.0
129.15344	3.3
131.35110	3.8
133.03024	6.4
135.04553	9.5
142.58418	3.4
161.02454	13.6
163.90935	3.3
184.02290	7.0
275.40091	4.3
349.03802	3.5
550.27380	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	550.3155
Annotation	Leueantine C
Peak:m/z	Relative Intensity
53.03897	0.8
54.55858	0.9
71.05038	1.4
94.08233	0.8
124.08287	0.8
124.58904	0.8
214.16492	1.1
252.91180	0.9
309.44098	1.0
390.18259	0.9
467.31592	6.0
485.32846	7.6
507.05981	0.9
550.31573	100.0
551.31982	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	550.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.67321	18.4
71.24791	23.0
75.58405	19.5
243.61346	20.7
260.19370	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	550.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98832	77.9
69.12311	65.3
73.02956	13.9
75.00851	13.3
81.05212	9.7
91.54227	10.4
121.02995	12.2
152.48424	13.3
267.71075	13.2
312.61368	14.4
332.48505	12.1
399.59863	12.2
490.34897	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	551.1201
Annotation	Methyl melitrate A
Peak:m/z	Relative Intensity
53.67202	1.2
56.27946	1.3
62.17044	1.3
71.45924	2.0
72.99314	37.5
74.98857	1.4
89.75710	1.3
93.03501	1.8
95.04983	1.6
98.60162	1.5
99.37065	1.2
105.03484	3.4
107.05035	2.0
108.02185	4.1
109.02987	10.2
113.02485	1.4
117.03505	2.2
121.02963	4.3
122.03796	1.6
123.04543	22.2
133.02989	10.2
134.03764	12.7
135.04546	100.0
136.04837	1.6
137.02443	2.9
143.27214	1.4
145.02982	2.9
146.03714	1.9
147.04555	3.3
147.78189	1.4
149.02449	3.4
149.06082	1.3
150.03206	5.3
151.04037	6.5
159.04520	7.3
160.01691	3.9
161.02467	17.4
162.03271	2.1
164.45183	1.4
165.05563	4.2
173.02451	3.5
175.03955	5.8
177.01898	3.9
177.05553	2.2
178.02803	2.0
179.03517	30.2
182.05186	1.4
185.02580	2.1
186.02911	1.5
187.04021	3.8
193.05066	1.6
197.04568	62.7
198.05006	1.4
209.06084	3.8
211.07576	9.9
213.09187	2.0
221.04500	3.8
237.05617	2.6
238.06270	2.2
239.07173	3.9
249.05516	2.8
250.06343	2.5
251.07149	3.3
253.05066	2.0
255.06508	7.9
257.08231	4.5
265.05170	4.9
266.05789	3.8
267.06628	4.8
268.07452	5.8
276.04346	1.6
277.05109	5.8
281.08133	2.2
283.06732	1.7
283.09747	7.6
293.04614	4.6
294.05362	6.3
295.06058	2.4
299.09406	1.8
309.07709	56.8
310.08011	4.0
311.05682	2.0
312.06195	2.1
313.07101	1.9
313.10785	2.0
327.08707	10.4
337.09229	5.1
339.05096	3.6
353.06644	4.7
371.07632	5.6
444.21521	1.5
519.08832	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	551.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
62.69925	0.4
63.82212	0.5
65.05474	0.4
67.07765	0.4
69.08283	2.9
72.99316	9.6
81.03466	0.6
91.01899	0.4
94.57548	0.4
96.96024	2.4
107.01414	0.5
108.02195	1.5
109.02962	37.0
119.05000	0.6
121.02943	1.0
123.04518	4.6
132.02177	0.7
133.02982	3.9
134.03683	1.6
135.04541	16.4
136.04880	0.4
137.02440	0.8
144.02188	1.0
145.02954	1.0
147.04549	1.1
148.33481	0.4
149.02438	0.8
151.04025	0.5
158.03780	0.6
159.04529	1.7
160.01677	0.7
161.02463	14.5
162.02783	2.9
163.02922	0.8
167.03554	0.7
171.64873	0.5
172.01678	3.2
173.02357	0.8
175.04013	1.5
179.03514	5.9
185.02449	9.6
186.03075	0.8
187.03938	0.5
193.04979	0.5
193.06520	2.1
197.04559	5.5
197.06145	0.7
200.01172	4.1
201.01985	2.1
203.03456	0.9
204.05779	0.5
205.06450	0.5
208.05234	0.4
209.06102	1.2
217.05109	0.9
219.04591	1.0
220.05238	1.4
221.06090	6.5
223.04010	1.3
224.04645	0.7
225.05612	0.6
229.01543	2.6
231.02974	18.7
232.03308	0.6
232.05338	1.2
233.06081	1.4
235.04041	1.1
236.04843	0.6
237.05527	2.7
247.04062	2.1
248.04825	6.2
249.05579	13.3
250.02806	0.8
250.06194	0.7
251.03476	4.3
252.04314	1.3
253.04955	0.5
260.04880	0.6
263.03448	0.5
264.04291	1.3
265.05057	5.4
266.05783	1.0
267.06683	1.5
269.08179	0.9
275.03555	1.5
276.04337	3.8
277.05057	11.9
278.05658	1.1
279.03055	3.6
280.03830	1.7
291.02859	0.8
292.03781	2.3
293.04590	22.6
294.05371	5.2
295.06131	9.7
303.02991	2.6
309.07590	2.2
321.04053	100.0
322.04352	5.2
327.08704	1.3
339.05115	9.5
353.06693	27.2
354.06989	1.2
371.07718	2.4
519.09387	2.5
550.23700	3.1
551.11957	1.0
551.24622	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	551.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82917	1.5
59.01176	1.1
59.01389	14.1
62.66852	1.3
71.01398	2.6
72.99316	55.1
73.03008	1.6
75.20293	1.2
101.02467	1.3
107.05046	2.2
108.02180	13.0
109.02970	5.5
121.02995	1.5
123.04536	32.4
123.05387	2.5
132.02217	2.0
133.02989	5.1
134.03833	8.5
135.04547	75.2
136.04884	1.2
144.02203	6.0
145.02968	25.5
146.03734	5.7
147.04503	2.6
151.04094	2.6
156.85699	1.4
158.03728	3.2
159.04523	9.1
160.01674	2.2
161.02483	21.3
179.03516	39.3
180.03995	1.7
185.02454	17.3
186.03210	3.6
197.04572	100.0
198.04918	2.5
203.03508	3.6
209.06210	1.7
211.76064	1.3
221.06165	1.8
229.01427	3.5
233.06180	2.2
237.05606	1.9
238.06421	1.8
248.04860	4.6
249.05609	6.7
250.06525	1.7
252.04346	2.1
252.69447	1.3
253.05151	1.5
265.05096	8.9
266.05847	20.2
267.06567	4.6
268.07336	2.3
276.04245	5.7
277.05093	17.9
278.05875	5.4
281.08157	5.6
283.09671	6.2
287.16559	6.8
292.03793	2.9
293.04556	10.2
294.05386	26.6
295.05991	2.3
299.16513	3.7
307.06177	2.6
309.07721	94.4
310.07974	4.3
317.17538	13.2
321.03830	2.0
327.08780	16.7
339.05072	2.1
345.10202	1.4
347.18655	27.8
353.06674	22.0
359.78494	1.4
370.65210	1.3
389.08792	5.3
479.23083	2.4
507.12885	5.3
521.24438	1.9
527.01196	1.3
532.58490	1.3
551.24579	24.5
551.31335	4.5
552.25580	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	551.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16284	3.1
72.99319	3.7
82.04659	0.5
85.85891	0.5
87.52676	0.6
88.41941	0.7
103.05496	0.6
108.02274	0.6
109.02968	8.6
112.84853	0.5
121.02963	1.2
123.04538	2.3
134.03717	0.8
135.04543	4.6
137.02454	1.9
145.02969	1.8
149.02412	0.7
150.90395	0.6
158.03731	1.9
161.02467	7.4
173.02470	0.8
179.03497	2.1
184.01680	1.1
185.02475	2.4
186.03238	0.7
193.05096	0.7
197.04593	4.0
201.01834	0.8
210.06779	0.6
217.05000	3.3
219.04494	0.9
220.05362	1.0
221.06087	1.6
223.04037	0.6
224.04822	1.4
237.05632	2.8
238.06288	0.9
243.02985	4.3
247.03972	1.6
248.04840	2.3
249.05573	4.6
250.06213	0.9
251.03543	4.9
252.04282	2.2
254.05981	0.7
263.03738	0.7
264.04340	1.3
265.05084	6.0
266.05774	5.2
267.06607	1.4
275.03613	1.1
276.04297	5.5
277.05081	3.5
279.03046	7.1
280.03787	2.4
280.06778	0.6
292.03922	1.2
293.04605	27.2
294.05331	5.6
295.06247	0.9
303.03006	1.2
307.06128	0.8
309.07617	1.1
321.04050	7.5
325.07242	1.7
327.08951	3.1
335.05576	3.0
353.06693	100.0
354.07129	3.2
371.07544	1.0
489.20370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1201
Annotation	Methyl melitrate A
Peak:m/z	Relative Intensity
50.41103	0.7
69.07752	2.9
69.08169	2.1
72.99315	9.7
74.67654	0.8
85.79644	0.7
98.21901	1.8
99.00922	1.2
105.03478	3.3
107.05038	1.4
109.02967	11.4
117.03495	0.8
121.02972	2.0
122.03755	0.7
123.04550	7.8
129.03523	0.8
131.04982	0.8
132.02214	2.4
133.02971	34.9
134.03767	17.9
135.04547	84.3
136.04857	1.8
137.02464	2.2
145.66339	0.7
147.04556	9.5
149.02419	1.0
149.06139	1.2
151.04027	9.7
159.00970	1.2
159.04504	6.6
160.01697	2.0
161.02464	100.0
162.03088	3.6
163.04005	1.3
175.00378	1.2
177.01991	10.9
177.05609	2.4
178.02829	4.1
179.03523	24.6
191.03574	2.4
193.05078	79.4
194.05399	1.3
197.04572	10.1
221.04553	10.8
221.06447	0.9
231.66585	0.8
239.07285	1.6
244.28560	0.8
249.05574	2.0
267.06729	0.9
269.08160	3.2
270.08768	0.8
275.68011	0.8
277.05157	3.2
295.06262	1.7
309.07751	2.4
313.07224	4.2
321.04218	1.3
339.05154	15.8
353.06711	8.3
357.06207	10.6
359.03265	1.2
359.07736	22.6
371.07553	1.4
519.09204	7.7
536.15814	0.8
551.12268	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	551.1201
Annotation	Methyl melitrate A
Peak:m/z	Relative Intensity
50.74017	0.7
59.01387	17.0
60.01724	0.7
61.98832	1.0
69.07676	4.6
71.01387	3.2
71.22446	0.7
72.99317	48.8
73.02956	1.2
79.05512	0.9
81.03489	1.1
81.39077	0.7
83.01414	1.2
85.02950	1.0
93.03463	1.6
94.93405	0.8
94.98078	3.8
95.01370	0.9
95.05038	1.2
96.96019	2.6
96.97668	0.9
101.02462	2.8
105.03478	1.6
105.36066	0.8
107.05022	1.2
108.02228	1.8
109.02961	2.1
111.64648	0.8
113.02467	1.6
121.02943	5.0
122.03725	1.3
123.04542	25.6
132.02228	1.3
133.02971	25.2
134.03769	10.2
135.04539	25.5
137.00478	0.8
137.02483	2.6
149.02480	1.0
150.03223	1.3
151.04028	59.1
152.04329	0.8
160.93607	0.9
161.02461	73.1
162.02858	1.8
163.04080	0.9
176.01212	0.9
177.01985	2.8
178.02682	3.7
179.03520	23.3
185.69746	0.7
193.05069	48.1
194.05467	0.9
195.02979	1.9
197.04556	36.5
206.70404	0.8
224.54686	0.7
279.03027	1.0
293.10233	0.9
313.07065	1.1
321.04184	1.2
339.05124	2.5
345.09885	0.9
347.18469	1.4
353.06671	2.6
357.06238	8.3
359.07715	18.6
359.11893	1.4
389.08810	100.0
390.09018	2.8
490.34515	2.4
491.16174	1.3
519.09424	1.1
551.12256	1.9
551.24615	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	551.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42458	0.5
66.05027	0.5
68.24561	0.4
70.68102	0.5
72.99317	18.1
79.63865	0.5
86.66739	0.6
91.01892	1.4
93.79463	0.6
105.67098	0.5
108.02185	49.6
109.03021	3.1
115.05546	1.6
122.03762	1.0
123.01030	0.5
123.04540	36.9
124.04829	0.8
133.02954	2.4
134.03746	2.2
135.04546	20.2
141.03450	1.5
141.37849	0.6
141.82761	0.6
145.02975	7.0
146.03745	3.8
147.04561	3.2
148.01646	0.6
151.03993	0.7
157.02948	2.0
158.03758	4.0
159.04532	17.9
160.04955	0.6
161.02470	1.7
173.02454	1.4
175.03967	1.4
179.03526	10.6
185.02455	54.8
186.03229	12.4
193.06406	0.6
197.04575	20.7
209.06136	1.4
210.06870	0.9
219.04547	0.6
221.06084	0.7
224.04837	0.7
225.05591	1.0
229.01720	0.6
237.05653	4.6
238.06395	2.5
247.03940	0.8
248.04816	1.6
249.03288	0.5
249.05496	3.1
250.06352	1.2
251.03531	2.3
252.04230	0.9
253.05054	1.5
263.03494	0.4
264.04373	1.0
265.05087	21.9
266.05783	7.5
267.06702	2.0
268.07501	1.6
276.04242	2.6
277.05103	3.6
279.03000	7.2
280.07495	0.8
281.08322	1.7
283.09686	3.0
287.63611	0.6
292.03891	0.7
293.04596	25.1
294.05365	21.3
294.08682	1.1
295.05817	1.8
309.07724	84.8
310.08044	3.7
317.17734	0.7
321.04123	2.1
327.08838	4.6
339.05087	1.7
347.18774	2.6
353.06702	100.0
354.07117	4.6
371.07724	2.1
492.75922	0.7
498.26474	0.6
519.09888	0.7
551.12036	0.9
551.24988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86642	1.0
57.69360	1.0
58.41894	1.0
59.01392	6.6
68.74339	1.0
69.65895	4.4
70.54710	1.0
71.01380	1.3
72.99317	53.7
80.85422	1.2
98.22652	1.5
101.02431	1.3
102.28500	1.0
107.05026	2.6
108.02201	12.4
109.02991	6.1
109.51611	1.1
117.03522	1.5
122.03799	1.2
123.04540	29.8
132.02229	2.3
133.02994	8.0
134.03789	8.7
135.04552	77.4
136.04860	1.6
140.93071	1.2
144.02194	7.9
144.30226	1.1
145.02969	31.5
146.03798	5.3
147.04597	2.5
150.17311	1.1
151.04051	2.8
158.03709	3.2
159.04550	9.0
160.01698	2.1
161.02470	17.1
163.04024	2.7
172.01657	2.0
173.02545	2.1
179.03526	38.9
185.02441	14.5
186.03223	5.0
197.04578	95.6
198.04988	1.3
209.06052	2.8
221.06212	2.5
224.04828	1.5
229.01466	1.9
233.06129	1.4
237.05560	5.1
238.06364	4.5
244.88414	1.1
248.04808	4.5
249.05669	7.3
251.03391	2.8
252.04266	2.2
265.05063	12.0
266.05838	23.5
267.06650	5.6
268.07425	2.6
276.04297	4.2
277.05087	21.6
278.05972	2.8
279.03134	1.3
281.08197	4.9
283.09827	4.7
287.16605	2.6
292.03726	3.7
293.04550	9.4
294.05374	32.2
295.05960	1.8
307.05859	1.7
309.07718	100.0
310.08047	4.6
317.17554	7.3
321.04050	2.1
327.08780	18.9
345.09845	1.9
347.18628	13.0
353.06747	19.9
371.07916	1.8
389.08737	2.1
507.13101	4.1
515.35535	1.3
551.24670	6.6
551.32037	1.4
552.25995	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.5
70.08706	2.4
71.01387	5.8
72.99323	6.7
73.02939	1.9
85.02961	2.0
87.00882	2.9
89.02450	2.7
89.03970	1.7
93.03465	0.8
101.02461	3.1
105.03434	1.4
108.02155	2.7
109.02955	3.1
113.02446	2.5
117.03489	14.8
119.03504	1.1
119.05066	4.8
121.03001	1.9
122.03786	1.6
123.04545	4.9
132.02191	25.5
133.02985	15.5
134.03760	75.6
135.04552	22.6
137.02428	1.1
143.27281	1.1
145.02972	50.1
146.03757	10.6
147.04536	19.1
148.05348	6.1
149.02431	3.8
149.06104	13.2
150.03241	1.4
151.04018	3.8
158.03752	2.0
159.04527	2.5
160.01677	100.0
161.02470	50.8
161.04492	1.5
161.06024	1.2
162.03249	61.9
163.04056	6.3
164.04742	1.1
165.05499	1.7
173.06053	2.8
174.03276	1.1
175.04024	98.5
176.04802	20.3
177.02022	5.7
177.05592	22.4
178.02744	7.3
179.03542	5.6
180.04245	3.2
185.02502	1.6
189.02048	1.1
191.07161	27.6
192.04375	2.3
192.07457	1.0
193.05077	87.5
194.05516	1.1
195.06648	4.4
196.62978	0.8
197.04565	9.2
202.02711	1.1
206.05785	1.0
207.06616	11.5
217.05081	3.3
219.06679	1.3
220.03719	3.6
223.07671	1.0
235.06143	83.6
236.06549	1.7
239.07199	1.1
247.06093	1.1
249.05627	1.2
265.07224	34.4
266.05661	1.4
267.06589	1.1
271.02328	1.2
277.04953	1.1
278.05963	1.0
283.06335	1.1
293.04556	2.4
294.05408	3.4
295.08279	45.0
296.08572	1.7
302.03531	1.5
309.07709	7.8
321.04074	1.5
327.08453	1.9
337.09195	1.3
339.04837	1.0
353.06717	2.2
355.10315	12.0
357.11880	1.7
359.07745	1.0
371.07584	1.4
507.09753	1.2
533.16705	47.1
534.16840	3.0
551.18439	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	551.1776
Annotation	Alboside I
Peak:m/z	Relative Intensity
57.61649	0.7
66.61586	0.8
69.84041	2.8
71.01388	1.9
72.99307	1.5
85.02946	1.2
93.03474	1.0
101.02461	1.1
113.02444	1.3
121.02958	1.7
122.03764	7.6
123.04470	1.8
132.02174	14.6
133.02989	4.2
134.03761	21.3
135.04565	7.7
147.04520	0.8
149.06111	4.2
150.03242	49.5
151.03958	2.0
151.26276	0.8
160.01677	58.9
161.02391	2.7
165.05589	82.8
166.05888	1.1
175.04024	79.0
176.04448	2.6
179.03499	2.4
193.05075	16.8
195.64096	0.8
197.04575	3.0
213.07695	1.2
217.05022	1.4
235.05893	0.8
309.07709	2.0
337.09317	100.0
338.09525	4.6
422.52078	0.8
551.17725	27.4
552.18195	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2503
Annotation	Dracunculifoside A
Peak:m/z	Relative Intensity
54.45329	0.2
55.01874	0.3
57.03433	0.3
59.01389	2.0
61.20484	0.2
62.50234	0.3
69.41047	0.3
69.41320	1.3
71.01382	2.1
71.87760	0.3
72.99316	11.5
73.02977	0.7
77.03964	0.3
80.92125	0.3
83.01405	0.6
85.02951	1.0
86.00240	0.3
89.03987	0.3
95.01405	0.4
99.00924	0.3
101.02468	1.4
105.03487	0.8
107.05037	0.5
108.02196	4.5
109.02972	1.3
113.02469	0.6
117.03492	1.5
121.02957	0.4
123.04539	8.8
124.04845	0.5
132.02197	2.5
133.02972	33.9
134.03792	3.2
135.04541	23.7
136.04866	0.3
144.02193	1.4
145.02974	7.8
146.03696	1.2
147.04539	0.8
151.04050	0.6
153.05597	0.3
157.02853	0.4
158.03711	0.9
159.04510	3.3
160.01659	0.9
161.02463	100.0
162.02786	1.9
163.04102	0.5
173.02481	0.7
179.03519	11.9
185.02448	6.5
186.03238	1.8
197.04573	17.3
198.04924	0.6
209.06155	1.0
221.06154	0.5
224.04895	0.4
233.06215	0.3
237.05620	1.2
238.06345	0.9
248.04883	1.0
249.05663	2.3
249.47960	0.3
250.06107	0.3
251.03520	0.8
252.04291	0.5
262.96179	0.3
265.05142	3.2
266.05859	4.2
267.06488	0.9
268.07346	0.7
276.04346	1.3
277.05057	5.5
278.05777	1.2
279.06512	0.3
281.08182	0.6
283.09711	1.9
292.03784	1.1
293.04584	3.5
294.05371	8.9
295.05798	0.8
307.06149	0.8
309.07724	32.2
310.08087	1.7
321.03989	0.5
327.08667	3.2
328.09131	0.4
353.06775	2.0
353.10669	0.4
354.07001	0.3
371.07773	0.8
507.12958	1.9
541.61395	0.3
551.25024	65.3
552.25287	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	551.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.1
59.01385	94.5
61.98804	2.1
67.05892	1.7
69.52280	8.7
71.01392	10.5
72.34861	1.9
72.99316	34.2
73.02951	5.0
85.02953	5.8
86.09737	2.2
87.92643	1.9
89.02454	3.5
95.82358	2.0
101.02455	8.3
105.03510	2.4
107.05092	2.8
108.02212	5.5
109.02975	9.2
113.02445	3.6
121.03024	2.1
123.04536	16.9
132.02159	4.1
133.02983	38.6
134.03751	7.2
135.04543	73.6
136.04893	4.6
137.02443	2.6
145.02946	6.9
149.02400	2.4
149.95055	2.3
151.04013	3.6
159.04546	5.4
160.01657	4.8
161.02461	86.2
162.02832	4.7
163.04039	3.3
175.04053	5.5
177.01945	4.6
179.03505	29.2
180.03853	2.5
185.02440	6.4
186.03166	2.3
197.04559	34.3
203.60999	2.3
208.05258	3.3
222.06830	2.9
249.05554	2.7
251.22682	2.1
253.04886	3.8
254.49084	2.2
265.05078	8.0
266.05853	6.7
267.06638	4.1
268.07507	3.2
277.05026	10.6
278.05823	19.7
279.06665	2.8
283.09631	3.3
293.04568	5.3
294.05316	8.2
295.05954	5.3
299.16583	3.9
309.07736	43.1
310.08307	2.3
317.17508	6.2
321.04074	5.1
327.08575	6.0
329.17462	3.3
339.05014	5.6
347.18546	5.0
353.06845	16.6
358.09433	5.2
371.07339	3.6
387.16519	4.5
389.08704	4.8
402.08270	3.6
465.26859	3.7
489.27542	3.9
507.28152	100.0
508.28400	8.8
551.25061	35.5
552.25629	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50983	20.6
62.21276	18.7
62.64793	20.4
83.69846	19.0
98.22682	50.3
135.04556	100.0
141.83232	20.1
160.67645	21.7
179.03490	90.8
277.21628	30.1
297.80447	20.9
303.07379	19.9
420.92758	18.9
424.99088	20.4
440.43097	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	551.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14863	12.1
66.68097	14.4
69.13556	57.5
69.13955	33.0
98.21882	26.2
104.79577	13.6
135.04547	18.6
165.81985	14.1
267.09912	15.8
469.33218	100.0
551.33435	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89589	17.7
61.98878	22.3
69.14297	100.0
84.49254	18.3
88.36347	17.8
141.21625	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	551.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16586	4.0
92.75385	0.7
95.08883	0.6
110.54365	0.7
114.93938	0.5
155.52492	0.6
373.86841	0.7
389.27689	0.8
469.33264	100.0
470.33652	8.1
551.33630	60.3
552.34021	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	551.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47011	0.9
70.17308	2.3
70.17650	0.9
95.55512	1.0
100.51719	0.9
138.97734	0.9
175.40739	0.9
193.73433	1.0
206.93539	0.9
350.57520	1.0
427.68854	1.5
469.33298	100.0
470.33652	6.7
511.52826	1.1
551.33624	62.4
552.33966	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	552.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03649	60.5
61.98848	100.0
71.31583	85.9
71.31918	72.6
71.81104	74.8
155.38693	74.4
167.79039	79.0
173.32460	82.5
223.91740	75.0
547.11145	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78899	0.6
59.01369	1.3
61.98825	0.8
65.53416	0.5
66.86317	0.6
69.94205	1.5
78.95918	6.2
93.56223	0.6
152.99605	0.7
154.40131	0.6
168.04309	1.2
178.12383	0.6
193.52895	0.5
204.50929	0.5
206.84702	0.6
224.06989	1.4
234.86502	0.5
242.08099	3.2
249.70378	0.5
277.21750	100.0
278.22159	3.7
278.32877	0.6
288.01541	0.6
314.80859	0.5
429.52222	0.6
502.29453	31.2
503.29755	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	552.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61757	1.0
59.01383	2.4
64.65136	1.1
65.83041	1.0
69.72039	4.2
78.95912	29.5
81.05750	1.0
81.17005	1.2
148.91542	1.1
152.99632	3.1
168.04337	3.5
177.01607	1.2
224.06920	9.0
242.08089	2.1
253.21651	2.9
277.21747	100.0
278.22131	3.2
397.44559	1.1
455.31519	1.9
461.45712	1.1
487.34406	2.5
495.75125	1.3
502.29456	76.7
503.29767	3.5
549.98224	1.1
552.33112	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83489	0.5
69.26204	3.5
72.99309	1.9
109.02950	1.9
111.00887	0.6
120.85342	0.6
123.04555	1.3
133.02980	1.4
134.03798	3.1
135.04544	33.6
136.04852	1.2
137.02463	3.8
148.01660	1.1
157.02910	0.6
158.03714	0.9
161.02451	2.8
162.03185	0.7
170.03755	1.0
173.02451	0.7
174.03227	0.7
179.03514	22.2
185.02473	1.8
186.03181	3.1
187.04048	0.7
188.04805	0.8
189.37772	0.7
190.02647	0.9
191.03519	0.8
197.04643	1.7
198.03275	1.5
199.03960	1.3
204.04335	0.8
213.01991	1.3
214.02740	10.7
215.03506	1.3
216.04321	1.0
218.74849	0.7
225.04118	1.1
227.03528	2.8
229.05096	1.2
232.03801	4.3
242.02234	15.7
243.03043	1.3
247.06139	2.5
255.03020	0.9
257.04572	3.9
258.05273	0.8
259.02341	0.9
260.03271	3.9
261.03897	1.1
269.01041	0.9
270.01688	7.6
271.02478	1.4
274.04807	0.9
275.02878	0.9
275.05646	9.1
285.04077	100.0
286.04550	3.9
302.00934	0.8
302.04163	1.7
303.05109	5.5
321.04221	1.4
326.00735	0.7
329.03082	1.5
330.03671	4.6
341.02948	1.3
344.05243	0.7
345.06238	7.3
348.04675	1.2
358.03061	0.9
363.07196	5.3
373.05588	4.2
391.06744	25.2
392.07330	1.1
553.10083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98833	0.4
71.01392	0.4
72.99314	1.8
79.95750	3.3
83.89011	0.2
84.54393	0.2
85.02969	0.2
88.26268	0.2
96.96023	100.0
99.92597	0.6
100.93380	0.4
101.02460	0.2
105.81952	0.2
109.02943	0.4
114.93454	0.2
115.64263	0.2
115.92098	1.0
116.92876	3.9
121.02927	0.3
123.04530	0.3
133.02962	0.9
134.03827	0.4
135.03513	0.3
135.04549	5.3
137.02455	0.5
149.02466	0.3
150.03207	0.2
155.65382	0.2
156.96321	0.2
160.01669	0.2
161.02464	2.9
162.02794	0.5
175.03973	0.3
179.03548	2.4
193.05115	0.4
197.04492	1.0
214.02757	0.6
219.10023	0.2
232.03606	0.2
234.99313	0.3
242.02345	0.6
270.01700	0.3
275.05600	0.6
285.04074	5.3
293.10309	0.3
339.05347	0.2
345.06323	0.5
357.10748	0.4
359.07870	0.5
363.07428	0.3
391.06021	1.1
391.10574	0.9
449.09387	0.3
455.13522	0.3
493.08173	0.3
517.04657	0.2
553.26703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98835	0.5
65.63084	0.2
66.30097	0.2
69.55463	0.6
72.99316	1.0
78.95915	0.3
79.78181	0.2
79.95747	3.3
94.98069	0.2
96.96022	100.0
107.85300	0.2
109.02969	0.4
113.02383	0.2
116.92918	0.2
123.04552	0.2
133.02975	0.7
134.03706	0.2
135.04533	3.7
151.04022	0.3
161.02461	2.2
175.04242	0.2
179.03511	2.2
197.04614	0.5
210.31287	0.2
234.99164	0.3
293.10425	0.6
341.89514	0.2
349.19934	0.3
357.89127	0.2
375.22174	0.2
391.10089	0.2
433.06757	0.2
443.10159	0.3
449.09045	0.3
455.13571	0.2
493.08435	1.0
553.13635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01418	0.1
61.98815	0.3
69.23904	0.5
70.92630	0.1
72.99322	1.2
79.95749	3.1
96.96021	100.0
98.22631	0.3
109.02935	0.2
113.68056	0.1
123.04545	0.4
133.02982	1.4
134.03772	0.5
135.04543	2.9
149.06073	0.1
159.57484	0.1
160.01674	0.2
161.02463	6.3
179.03528	1.5
193.05069	0.4
197.04570	0.7
212.59921	0.1
293.10367	0.4
355.08301	1.0
358.59198	0.1
359.07614	0.7
373.09421	0.5
455.13376	0.3
472.80713	0.2
553.14050	0.4
553.26385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73391	0.3
54.23849	0.3
59.01370	0.5
72.99313	2.2
89.03971	0.3
91.05544	0.4
93.03439	0.3
96.96014	1.6
105.03504	0.3
106.04328	0.4
107.05047	2.3
108.02219	0.3
109.02937	0.6
117.03471	1.0
119.48449	0.3
121.03005	0.2
121.59493	0.3
123.04502	1.3
133.02971	6.3
134.03770	7.9
135.04541	100.0
136.04910	1.8
149.02457	0.6
150.03241	0.3
151.04033	1.3
160.01541	0.3
161.02464	12.5
167.64503	0.3
177.01961	4.3
178.02696	0.7
179.03519	13.5
195.02960	0.4
197.04521	2.1
199.06560	0.4
207.75743	0.3
229.34085	0.3
260.08261	0.3
298.04846	0.4
323.05563	0.9
335.05896	0.3
341.06741	1.1
343.08160	0.5
359.07733	2.2
373.09360	3.1
389.08875	1.1
391.10492	1.4
477.11975	0.4
521.10999	1.5
553.13684	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62576	0.4
59.01371	0.7
61.98842	2.0
62.46482	0.3
68.58954	0.3
72.99316	7.1
77.04037	0.3
81.03450	0.4
89.03996	0.3
91.05566	0.5
93.03477	0.7
95.05039	0.3
96.96009	4.2
98.21880	0.7
105.03471	0.7
106.04254	0.5
107.05035	2.3
108.02168	0.4
109.02973	1.3
110.82096	0.3
117.03468	0.6
119.04995	0.4
121.02966	0.8
122.03789	0.6
123.04536	2.8
132.02202	0.5
133.02977	11.1
134.03760	7.7
135.04539	100.0
136.01633	0.3
136.04890	2.0
137.02469	3.2
138.03252	1.0
139.04051	0.6
148.01680	2.6
149.02449	2.2
150.03253	2.2
151.04044	7.0
152.01120	0.5
160.01682	0.4
161.02464	29.4
162.02869	0.8
163.03999	0.4
165.01927	0.4
165.05605	0.6
166.02754	2.1
167.00696	0.3
169.48923	0.4
177.01953	8.8
178.02591	0.7
179.03522	21.1
181.05086	5.9
193.01427	0.8
194.02194	0.7
195.03011	6.4
197.04555	0.5
199.77847	0.3
207.03062	0.5
208.03757	0.9
209.04558	1.4
212.03297	1.7
225.04033	0.5
227.05606	3.8
243.06654	0.7
267.06631	1.3
269.08301	0.4
311.05734	1.2
323.05481	0.4
341.06561	1.9
343.08292	1.2
353.23279	0.4
373.09399	2.3
389.08804	8.0
390.09134	0.5
391.10376	19.2
392.10736	0.6
477.12097	0.6
489.08380	0.7
521.10883	1.0
553.13629	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	553.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.6
69.23190	6.9
72.99316	75.6
79.87885	1.1
89.60814	1.1
91.77512	1.3
96.96014	2.9
107.05013	1.5
109.02952	3.6
117.03537	1.2
121.02919	1.2
123.04535	27.8
133.02971	11.4
134.03757	41.7
135.04543	77.7
136.04836	3.2
137.02507	1.1
147.04538	2.1
149.06093	19.8
151.04016	3.0
161.02458	34.6
163.03986	3.0
175.03996	3.1
178.02722	3.1
179.03505	52.8
180.03889	1.4
191.03462	3.6
193.05083	18.2
196.06149	1.4
197.04568	76.8
198.04843	2.0
211.06010	2.3
215.70398	1.1
219.02966	2.1
289.18185	2.4
291.05591	1.4
319.19199	2.9
329.10300	5.0
347.11365	1.4
349.20184	4.2
355.08224	4.0
359.07700	4.7
373.09323	47.0
373.13989	2.7
374.09500	1.3
391.10376	100.0
392.10281	5.7
535.12231	1.6
553.13306	6.5
553.26794	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	553.136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83078	1.2
58.13078	1.2
69.46919	5.9
72.99317	65.5
73.66307	1.3
75.90234	1.3
76.73905	1.2
84.49075	1.3
107.05051	1.9
109.02954	2.1
119.05008	2.1
121.02970	2.1
123.04546	22.0
132.02182	2.6
133.02042	2.1
133.02986	27.4
134.03767	35.7
135.04547	74.7
136.04861	2.2
149.02461	1.8
149.06123	20.7
151.04037	3.0
153.05525	1.3
161.02466	100.0
162.02815	4.1
163.04018	4.5
175.04039	1.4
177.01953	2.1
178.02763	2.1
179.03517	57.3
179.07883	1.3
191.03546	7.3
193.05074	19.9
197.04576	65.6
203.80705	1.2
211.06126	2.8
249.30090	1.2
281.77368	1.5
329.10361	2.7
355.08261	8.1
359.07709	6.4
373.09299	98.6
374.09546	4.3
391.10394	63.0
392.10782	1.9
462.69022	1.4
535.12585	6.1
553.13641	17.4
553.26495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20383	0.6
72.98917	1.1
72.99317	13.8
79.37093	0.8
79.74360	0.7
88.92625	0.7
98.22628	1.8
107.14566	0.7
120.58961	0.7
123.04538	6.1
132.02245	0.8
133.02982	21.0
134.03764	1.7
135.04543	26.5
135.13760	0.8
137.82658	0.8
148.07828	0.7
151.04021	1.3
161.02463	100.0
162.02806	2.1
179.03516	14.7
197.04565	22.9
206.07372	0.7
236.52588	0.7
250.92957	0.8
290.04752	0.8
292.61453	0.9
359.07751	28.9
360.08032	1.6
434.05194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03960	0.4
60.90444	0.5
72.99316	22.1
92.04823	0.5
93.03412	0.5
98.21861	0.7
107.05071	0.6
109.02972	2.6
117.03526	0.5
121.02972	1.9
123.03644	0.5
123.04543	10.0
124.17500	0.5
125.70036	0.4
132.02173	1.7
133.02977	20.7
134.03777	10.2
135.04544	45.3
136.04865	0.8
149.02454	1.7
149.06108	3.9
151.04033	1.1
160.01707	1.8
161.02464	100.0
162.02814	2.3
178.02716	0.7
179.03514	27.3
184.77261	0.5
187.45874	0.4
191.03537	0.7
193.01505	0.9
193.05080	4.5
197.04576	26.8
213.02039	0.7
245.04659	1.3
310.19748	0.5
311.09149	0.8
311.58475	0.4
323.04660	1.0
329.10062	0.7
355.08289	9.3
359.07748	20.9
360.07858	1.0
373.09317	9.4
391.10406	14.4
392.10916	0.6
480.09088	0.5
498.49866	0.5
535.12695	1.4
553.13586	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	553.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98805	0.8
63.25557	0.5
66.32251	0.6
71.01376	0.6
72.99313	8.4
73.01838	0.5
79.96371	0.6
96.96021	7.1
99.00894	0.8
105.03477	1.5
107.05064	1.8
109.02964	3.1
117.03461	1.1
123.04530	5.6
132.02199	1.8
133.02968	20.4
134.03769	10.0
135.04539	100.0
136.04852	1.8
137.02435	1.4
147.04550	2.2
149.02469	1.4
151.04004	5.1
159.04564	1.3
160.01662	1.9
161.02461	73.0
162.02930	2.6
177.01933	5.7
178.02763	2.8
179.03511	30.3
197.04561	11.4
200.64609	0.6
221.04610	2.5
228.72644	0.6
279.06668	0.7
313.07285	2.5
315.02548	0.7
323.05569	2.0
341.06754	1.6
355.08237	0.9
357.06137	3.1
359.07736	14.7
360.08176	1.0
373.09454	2.5
520.26361	1.3
521.10626	3.1
553.13617	3.0
561.33295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60011	0.9
59.01122	1.3
59.01388	15.4
69.71163	3.6
71.01395	3.1
72.99313	14.3
73.02956	1.1
76.20148	1.0
83.01410	1.5
84.69574	1.0
85.02972	1.4
89.02472	1.1
101.02471	2.1
101.93085	0.9
107.05046	1.0
109.02972	1.3
123.04562	6.5
133.02975	19.1
134.03772	2.4
135.04544	26.4
161.02472	100.0
179.03540	12.6
189.70461	0.9
195.02937	1.2
197.04567	23.2
228.81682	1.0
285.04095	2.6
359.07751	30.6
360.08142	1.4
379.21329	4.0
511.25491	2.6
553.26868	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	553.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.7
71.01399	2.2
72.99316	28.4
83.05042	1.2
85.02975	0.8
89.02467	3.0
96.96033	4.4
101.02461	1.5
108.02166	6.5
109.02979	9.9
113.02507	1.5
119.03526	1.4
123.04546	15.8
131.05099	1.6
133.02992	2.7
134.03760	3.3
135.04546	31.1
143.05032	1.9
145.02951	1.5
147.04500	0.9
147.31204	0.9
149.02426	1.1
151.04082	1.5
158.03793	1.2
159.04573	6.5
160.01688	2.2
160.05319	1.3
161.02473	7.8
161.06062	8.0
162.02968	1.0
163.04100	0.9
165.05594	0.9
173.02458	1.0
175.04045	1.7
179.03520	15.7
180.03897	1.0
185.02463	1.4
186.03258	3.8
187.04022	77.8
188.04723	4.5
197.04576	18.1
198.04782	1.3
205.05099	4.0
205.12360	2.7
231.03026	14.8
249.11288	3.7
253.05070	1.4
255.06660	2.7
260.42191	0.8
264.02756	1.3
265.05096	1.1
267.06659	1.5
268.07541	1.4
269.34851	0.8
277.05127	2.4
278.05765	1.5
279.06546	0.8
281.04568	3.6
285.11404	3.4
295.06161	2.8
296.06921	5.4
311.05621	1.7
311.09265	25.9
312.09839	1.1
313.07162	2.8
321.04196	3.8
329.06976	1.2
329.10321	6.1
339.05139	2.4
340.05893	3.5
355.08273	100.0
356.08630	3.8
359.07574	1.0
373.09320	16.0
391.10410	1.8
429.17862	1.5
553.13690	19.0
554.14063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
59.89395	0.5
66.45432	0.5
69.23991	1.6
69.24418	1.6
72.99314	29.6
79.95741	1.5
94.98100	0.5
96.96017	46.6
101.02446	0.6
107.05035	1.6
108.02123	0.7
109.02957	1.4
117.03502	1.1
119.05042	1.0
121.02954	0.8
123.04527	11.4
132.02164	1.3
133.02966	16.6
134.03778	7.2
135.04535	100.0
136.04875	2.5
137.02425	1.2
147.04601	0.8
151.04025	3.1
152.04375	1.0
160.01636	1.3
161.02460	64.5
162.02829	2.4
163.04027	1.2
175.04044	1.7
177.01961	0.5
178.02769	2.1
179.03514	28.2
180.03889	1.5
191.03525	0.7
193.05086	7.3
194.05511	0.8
197.04565	30.5
198.04988	0.7
219.03014	1.3
237.04028	0.8
269.06778	1.1
321.04044	0.7
341.06641	10.3
359.07736	21.2
360.08209	1.2
368.41040	0.6
374.08157	0.6
389.09122	0.6
391.10336	28.5
392.10745	1.6
521.10913	9.8
553.13269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2632
Annotation	Salviadienol B
Peak:m/z	Relative Intensity
61.98837	1.2
99.92597	23.2
100.93374	26.6
115.92091	37.9
116.92112	1.8
116.92868	2.4
453.33859	4.0
455.34433	1.7
499.62720	1.0
535.25262	3.6
538.24304	1.2
553.26343	100.0
554.26605	10.1
567.24524	4.7
567.79547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.5
61.98817	0.3
76.14809	0.3
76.57700	0.3
88.76348	0.3
115.06082	0.4
163.80707	0.3
164.50789	0.4
215.22490	0.4
229.81010	0.4
248.75639	0.4
268.96368	0.3
279.23340	1.7
334.81076	0.4
389.96359	0.4
471.34830	100.0
472.35236	6.2
553.35199	55.1
554.35608	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	553.3515
Annotation	Muscanone
Peak:m/z	Relative Intensity
50.04945	0.4
51.19637	0.4
69.18894	2.9
80.96519	1.3
81.46188	0.5
95.83538	0.4
98.21894	1.0
103.65778	0.5
129.20404	0.5
169.82294	0.5
277.95349	0.5
393.31458	0.8
423.32782	1.5
471.34821	100.0
472.35165	6.9
553.35168	65.3
554.35461	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	554.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01377	2.8
61.98554	1.1
61.98841	17.4
72.99316	1.9
78.38786	0.8
93.47271	0.8
96.96043	4.2
96.96584	0.8
98.21717	0.9
107.04998	0.7
109.02991	3.5
117.03454	0.8
121.02960	1.3
133.02994	6.7
134.03740	3.2
135.04550	78.5
136.01698	2.4
136.04869	1.4
139.04062	0.8
145.02946	1.5
149.02449	4.3
150.03265	1.5
151.04037	3.1
160.82291	0.7
161.02473	19.0
162.02879	1.2
174.03229	1.4
175.17560	0.7
179.03519	100.0
180.03918	2.3
201.01729	1.1
235.06204	0.8
237.05443	0.9
239.07123	1.6
250.06477	0.9
264.71051	0.7
266.05795	1.4
267.06653	28.9
268.06940	1.2
283.06201	2.7
311.05637	29.3
312.06006	1.6
313.07217	0.9
341.06750	2.2
357.13528	1.2
447.11285	1.4
491.10135	1.5
553.32227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	16.0
72.99317	19.3
95.05039	1.6
95.11884	1.5
96.96043	2.4
109.02979	3.9
109.27912	1.4
123.04534	4.3
124.04857	2.0
133.02966	21.6
134.03355	2.7
135.04544	81.6
136.04875	8.0
137.02466	5.1
138.03090	1.8
148.01654	4.1
149.02385	6.8
150.03258	7.0
151.04022	11.2
152.04375	4.5
161.02455	67.5
162.02803	19.3
166.02693	1.8
167.03043	2.5
177.01888	2.6
178.02351	1.9
179.03516	100.0
180.03879	6.1
181.05084	11.2
182.05411	5.7
194.02133	1.9
195.03000	9.4
196.03328	5.6
209.04482	2.3
212.03264	2.9
213.03566	2.6
225.03874	1.6
227.05614	6.3
243.06906	2.0
267.06699	15.4
268.07101	1.8
283.06104	2.5
311.05603	17.6
341.06656	8.4
372.85977	1.5
389.08911	9.5
390.09021	12.3
391.10400	20.4
392.10736	26.9
491.09863	1.9
554.13678	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	554.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01810	86.8
63.92363	80.1
71.31425	77.2
90.48493	76.3
132.87238	83.0
174.67632	77.1
219.32652	75.6
280.53461	100.0
323.54395	74.2
399.96265	89.5
400.39258	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37283	1.2
56.26991	0.9
60.94667	1.0
61.98837	1.8
70.84463	1.1
73.89603	0.9
77.86123	0.9
78.95901	4.7
97.90556	1.1
110.82632	1.0
135.04558	1.3
161.02402	1.0
168.04369	1.4
224.07001	1.3
242.08110	2.8
279.23325	100.0
280.23593	4.6
371.68350	1.0
372.16763	1.1
378.76703	1.0
504.31027	30.1
505.31693	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	554.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40810	0.6
59.01386	1.0
69.11082	1.9
69.11497	1.2
75.96503	0.4
78.95916	21.9
96.96942	0.7
98.22679	1.0
108.54540	0.4
109.38874	0.4
152.99600	3.2
168.04306	3.3
173.36250	0.5
220.75142	0.4
224.06964	7.3
242.08051	2.2
279.23328	100.0
280.23624	3.9
377.13800	0.6
471.34897	1.7
472.35184	12.6
473.36209	0.5
504.31021	58.4
505.31448	3.7
554.27130	0.4
554.35406	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	554.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24734	1.4
60.68020	1.2
61.98825	2.9
65.43052	1.2
71.05022	3.0
71.42779	1.3
82.41330	1.2
129.11168	1.4
135.04478	1.2
185.04884	1.2
200.25540	1.3
264.05304	1.3
371.34506	1.4
425.30621	1.5
437.30582	3.0
467.31680	17.9
468.32007	6.2
472.34900	1.9
485.32770	27.6
486.32983	18.8
508.42349	1.4
554.31140	100.0
555.31396	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	554.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43759	0.9
56.12651	0.9
61.98837	100.0
65.71049	0.9
69.10073	5.5
72.99239	0.8
73.98299	1.0
79.73550	0.9
83.26008	0.9
89.18508	0.9
107.82749	0.9
249.19202	0.9
469.33182	14.9
470.33429	3.2
472.34268	1.1
554.31000	56.0
555.31146	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	554.347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	20.5
64.28560	0.5
69.18752	3.1
78.95914	19.1
123.73096	0.4
145.54974	0.4
149.67279	0.5
152.99641	2.6
168.04381	2.7
168.87614	0.5
171.66040	0.5
179.51195	0.4
201.72054	0.4
217.92679	0.5
224.06927	8.8
242.08029	1.9
255.23325	100.0
256.23657	4.1
311.70874	0.5
472.35461	0.7
480.31024	53.8
481.31094	2.5
490.15988	0.6
544.52972	0.6
551.03522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.9697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50699	0.5
59.01384	72.6
69.19501	2.9
70.75972	0.6
72.99321	1.5
74.53678	0.5
74.55101	0.4
74.57178	0.5
75.00247	0.5
75.69091	0.5
76.76163	0.5
98.21885	1.1
108.12001	0.5
109.02963	2.1
120.80951	0.5
123.04529	0.9
132.98210	0.8
134.04771	0.5
135.04588	2.6
157.03557	1.8
157.56067	0.5
159.01575	0.6
161.02379	0.7
174.99261	25.6
179.03438	1.4
185.02441	1.0
201.02568	19.6
202.02667	1.1
203.02345	0.6
215.04140	0.5
217.00313	100.0
218.00613	1.6
241.08902	0.5
283.06088	0.8
292.99945	0.6
295.06079	1.9
313.07364	0.7
357.06107	1.7
359.01495	59.7
360.01608	3.6
374.99228	4.8
401.36096	0.5
421.52335	0.6
456.98230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.9695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50723	0.5
59.01387	66.9
60.01709	0.5
69.33102	1.7
69.33495	1.4
72.99312	1.2
99.38397	0.5
109.02974	1.4
113.69012	0.6
132.98190	1.3
134.03734	0.5
135.04546	3.2
141.00432	0.9
157.03574	1.9
159.01546	0.9
161.02469	0.9
171.01497	0.7
174.99265	25.5
175.99738	0.7
179.03516	1.4
185.02451	1.2
197.04573	0.8
198.99362	0.9
199.01030	0.9
201.00957	0.8
201.02574	19.8
202.02820	0.7
211.10507	0.5
214.98859	0.5
217.00322	100.0
218.00682	2.4
245.76567	0.6
274.99789	0.5
281.77658	0.5
295.06192	2.6
324.01993	0.7
356.99860	0.9
357.06244	0.8
359.01517	62.8
360.01886	3.4
374.99216	3.2
379.88174	0.5
546.39429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39896	2.5
51.54242	2.4
59.01382	72.4
72.99323	28.5
99.31982	2.5
108.02165	3.0
109.02963	66.7
121.02934	4.7
123.04510	15.0
132.98129	3.2
133.02950	9.9
134.03767	7.1
135.04533	100.0
145.02998	2.6
147.04561	7.1
151.04030	6.4
153.66013	2.4
157.02963	4.5
159.04549	14.9
161.02458	20.3
161.66316	2.9
173.02452	8.0
174.99252	32.5
175.03975	3.1
177.02020	2.5
179.03500	45.9
185.02451	50.6
186.03201	7.1
197.04517	21.6
201.02577	13.5
203.03470	7.0
213.09117	2.7
217.00314	97.7
221.04330	3.0
223.07652	5.6
225.05530	3.5
241.08699	13.7
251.07086	5.3
269.08160	8.3
285.07620	5.4
295.02866	4.4
295.06140	91.2
296.06244	2.9
303.91696	2.8
313.07166	14.2
331.08179	3.0
357.06250	13.0
359.01508	46.4
360.01740	4.3
374.99231	19.0
493.11246	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	555.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73436	0.6
69.54214	1.4
69.54605	1.1
72.99315	18.1
76.24173	0.5
91.05528	0.6
107.05029	2.7
108.02193	0.8
108.78273	0.5
109.02965	7.1
115.05560	1.3
123.03691	0.3
123.04533	9.3
133.02953	0.6
134.03741	5.8
135.04544	100.0
136.04855	1.6
151.04013	1.0
159.04526	0.9
161.02623	0.5
179.03517	21.9
179.05103	1.2
185.06123	1.4
197.04575	24.6
197.06395	1.2
198.04837	0.5
213.09193	1.3
215.10820	0.8
222.06929	0.7
223.07658	5.3
225.09204	1.8
239.07185	2.3
241.08745	6.3
251.07140	6.9
267.06686	1.1
269.08218	15.1
270.08719	1.1
277.05054	0.6
285.07855	0.9
287.09402	2.6
295.06085	4.0
313.07297	3.1
331.08334	2.6
336.55789	0.5
339.05185	0.8
357.06229	1.0
449.12366	3.9
555.11560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49907	3.2
66.44727	3.8
72.99322	19.1
80.97945	3.6
84.32473	3.3
87.88873	3.2
104.50710	3.5
109.02965	47.7
118.96703	3.3
121.02964	14.2
121.43380	4.3
122.03754	3.8
123.04505	8.4
133.02971	13.1
134.03658	4.0
134.97978	3.2
135.04541	82.1
147.04562	6.7
148.67607	3.6
150.03218	19.6
151.04010	7.9
153.05641	4.1
157.03000	4.2
159.04535	12.3
161.02466	21.6
165.05574	28.0
173.02414	10.7
177.02017	4.2
179.03514	43.8
185.02460	28.2
197.04616	20.2
223.07593	4.6
232.84897	3.8
241.08745	4.5
251.07184	5.2
254.68776	3.4
267.06747	4.5
269.08167	9.0
295.06125	100.0
313.07272	9.8
320.77942	4.1
341.08868	23.7
357.06210	11.4
493.11475	5.2
555.17554	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	555.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85225	0.8
69.84492	1.7
72.99317	31.7
74.53626	0.7
81.26064	0.8
91.01855	1.1
107.05058	2.7
108.02203	1.0
109.02958	17.5
115.05567	1.5
123.04548	13.6
131.05002	1.0
132.32190	0.7
134.03743	6.2
135.04543	100.0
135.32468	0.8
136.04900	1.8
147.04556	1.7
151.04021	1.0
159.04593	1.7
161.02509	0.8
161.06119	1.7
163.04021	0.8
173.06105	0.8
177.05571	0.7
179.03514	26.9
180.03920	0.8
184.84673	0.8
185.02431	0.9
185.06071	4.5
191.03549	1.0
195.08228	0.7
197.04576	37.5
197.06371	2.0
198.06812	0.9
199.07718	1.0
206.07564	0.8
209.06087	1.3
210.06888	1.3
211.07693	2.1
213.05748	0.9
213.09268	4.4
213.44298	0.7
215.10779	2.4
217.26918	0.7
222.06902	2.8
223.07645	13.6
225.09215	4.2
239.07205	3.7
241.08728	42.6
242.09190	1.2
243.10320	3.2
249.05580	1.5
249.15157	0.7
250.06360	1.8
251.07130	14.6
257.08136	0.9
267.06686	1.0
269.08231	19.3
270.08459	1.3
285.07730	9.1
287.09363	4.8
295.06177	8.9
313.07245	13.5
331.08270	3.8
339.05066	2.2
357.06232	5.1
511.13443	0.8
537.10522	1.4
555.11383	2.4
562.52246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97903	3.4
59.01394	3.2
72.99306	18.0
85.33041	3.0
109.02967	80.8
114.10216	3.5
117.03463	3.2
121.02966	9.9
122.84087	2.5
123.04497	7.4
133.02980	10.7
134.03674	4.7
135.04536	84.9
138.03180	4.0
145.02969	13.2
146.03754	4.1
147.04523	9.8
151.04022	3.5
153.05592	6.0
155.37009	2.7
157.02943	3.3
159.04477	16.5
161.02444	27.9
161.30360	2.7
162.03268	15.7
169.30406	2.8
173.02440	4.3
177.01730	3.0
177.05579	6.6
179.03513	58.2
181.01421	4.5
182.02136	7.3
185.00865	5.0
185.02444	59.2
186.03198	6.0
196.03729	3.1
197.04567	42.2
203.03535	4.8
211.06181	4.6
223.07565	3.5
224.03166	5.0
239.05580	33.5
241.08723	8.9
251.07178	3.3
253.05159	3.7
267.35880	2.6
269.06436	4.8
277.04901	3.3
278.05588	3.0
295.06140	100.0
296.06506	2.9
297.98929	2.9
299.07800	11.6
300.40012	3.3
313.07092	12.0
357.06216	9.7
357.73453	3.1
537.16205	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	555.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50461	0.9
59.01389	5.5
69.67184	2.2
69.67548	2.1
70.41895	0.9
71.01400	2.2
72.99309	3.8
85.02944	1.2
93.85938	0.9
96.96038	1.3
109.02976	2.5
119.76209	1.0
123.04549	1.5
133.02989	4.7
135.04532	7.5
138.11861	1.0
159.89787	0.9
161.02466	19.1
162.02585	1.1
164.21336	0.9
179.03557	5.1
197.04572	6.6
207.08066	1.6
235.07680	13.0
247.07550	1.2
261.05563	1.4
262.06366	100.0
263.07132	81.9
264.07544	3.5
295.06018	1.3
306.05392	45.7
307.06107	7.3
309.47818	0.9
321.04178	1.1
332.63385	0.9
348.78455	1.0
359.07684	3.6
428.60553	0.9
467.13336	3.0
469.11392	41.2
470.11459	1.5
472.82852	1.1
511.12476	54.5
511.24542	2.0
512.13135	4.5
537.10425	2.5
555.11194	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	555.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.6
69.15711	1.8
69.49811	0.3
72.99316	17.8
84.95121	1.3
95.05049	0.4
96.96017	0.5
107.05022	0.4
109.02962	1.1
117.03488	0.3
123.04552	8.0
132.02203	1.0
133.02985	20.1
134.03749	0.7
135.04553	20.9
136.04881	0.6
151.04030	0.7
161.02467	100.0
162.02809	2.7
179.03517	14.6
193.17992	0.3
197.04573	22.5
198.04836	0.4
204.33167	0.3
223.02469	0.7
235.06122	0.5
295.06155	1.1
359.07764	27.7
360.07962	1.1
398.68198	0.3
411.20279	0.4
519.33185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
61.98832	1.3
67.58379	0.5
69.82395	0.5
71.01392	1.2
72.00385	0.5
72.99313	22.8
73.02943	1.2
76.15449	0.6
78.95902	0.8
79.95767	0.6
96.96017	15.1
107.05029	0.8
109.02965	2.3
113.02370	0.6
119.84972	0.6
121.02995	1.5
122.06190	1.0
123.04546	8.6
133.02966	19.5
134.03708	1.9
134.06111	2.6
135.04539	27.8
136.04863	0.9
137.02438	1.0
149.02406	0.6
151.04024	3.7
161.02467	100.0
162.02800	4.0
178.03526	0.7
178.05130	2.6
179.03514	15.5
179.05147	0.8
180.03845	0.9
184.71535	0.6
190.03320	1.5
195.02931	1.3
196.06178	6.5
197.04614	19.2
197.06491	3.2
213.04056	1.3
216.01263	0.8
234.02258	0.7
252.03465	0.7
295.06381	0.8
313.06998	0.8
315.04074	0.6
321.04129	0.9
339.05011	1.8
343.34201	0.7
351.21738	1.1
357.06125	10.3
359.07745	19.1
360.07944	1.0
375.06708	1.7
393.07980	4.8
393.13907	2.6
476.29883	0.7
537.09399	0.8
555.11255	1.7
555.28320	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	555.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
63.65998	0.6
67.51006	0.6
72.99314	15.4
79.60827	0.6
80.44954	0.9
96.96020	1.9
98.22692	1.6
99.83453	0.7
107.05045	0.9
109.02972	1.6
121.08395	0.6
123.04552	7.6
132.02206	1.1
133.02969	17.2
134.03740	0.9
135.04543	22.0
161.02466	100.0
162.02815	1.8
165.05701	0.9
179.03519	15.0
185.02444	0.7
197.04573	21.5
295.06158	0.8
349.18600	0.7
351.21622	0.8
357.06247	1.0
359.07764	21.7
360.08188	1.1
393.03491	0.7
393.08313	2.0
537.09595	0.9
555.26996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26281	0.6
59.01153	0.6
59.01385	5.7
60.04988	0.6
61.98826	2.6
69.31322	2.6
71.01392	0.9
72.99311	19.3
73.02959	0.9
79.95746	0.7
96.96021	18.5
97.47881	0.6
98.95605	0.6
105.03461	0.7
107.05064	0.8
109.02962	2.6
114.05618	1.2
121.02979	1.1
123.04536	7.8
132.02260	0.7
133.02971	22.6
134.03255	0.7
134.03871	0.6
134.06082	1.1
135.04543	28.3
136.04884	1.5
137.02461	0.7
138.39824	0.7
142.32553	0.7
151.04012	1.5
161.02458	100.0
162.02802	2.9
178.05225	0.8
179.03522	18.0
185.02345	0.9
190.03381	1.2
196.06189	3.0
197.04576	24.0
197.06374	1.7
204.01360	0.6
211.46408	0.7
213.04141	1.1
216.01315	0.9
234.02258	1.5
252.03574	0.8
277.05002	1.0
295.05795	0.8
313.06921	0.8
339.04669	1.4
341.06430	0.7
351.21747	2.9
357.06235	3.7
359.07739	23.1
360.07886	1.2
375.06653	1.9
393.07767	2.0
393.13956	1.1
427.23792	0.7
442.88687	0.6
509.08261	1.0
540.35358	0.7
555.10974	1.6
555.28058	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	555.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.6
69.89087	8.2
102.85252	2.3
109.02975	4.3
113.09730	9.6
133.02945	3.2
134.03802	6.3
135.04555	100.0
136.04889	4.0
137.02457	3.7
148.01656	5.1
155.10811	75.2
161.02455	10.3
179.03526	65.6
207.03012	27.2
219.02991	5.4
225.03993	8.4
267.06702	3.9
297.04068	3.5
375.14365	6.9
385.94220	2.8
393.15359	7.4
399.07275	16.8
450.59726	2.7
469.33078	8.1
487.34271	34.5
555.33069	37.4
556.32843	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	555.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	6.0
79.24645	1.4
91.62492	1.7
99.92602	12.4
100.93374	52.0
101.93395	2.0
115.92091	100.0
116.92126	2.6
116.92879	7.7
129.20349	1.5
177.29668	1.3
422.88126	1.5
451.54230	1.6
455.31906	6.8
457.32379	4.4
503.29688	2.0
555.24213	89.8
556.24738	9.7
569.22131	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	555.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	11.2
69.17886	7.5
85.00448	3.1
86.62375	1.4
94.31117	1.2
95.02523	1.3
98.22707	2.2
99.92600	21.5
100.93377	65.0
115.92089	100.0
116.92076	2.7
116.92861	4.2
203.89954	1.4
362.59250	1.5
365.56250	1.4
455.35532	7.2
456.35831	2.6
457.35919	4.2
555.27875	86.2
556.28516	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	555.2819
Annotation	ciguatoxin IJKLM cyclic acetal
Peak:m/z	Relative Intensity
57.01820	0.4
61.98820	1.6
63.16004	0.4
71.01387	3.0
73.02968	1.1
78.98593	2.4
79.95741	4.6
80.96525	28.9
81.57056	0.4
84.93909	0.6
85.02942	1.3
87.00868	1.3
94.98094	6.7
97.02992	0.6
99.92596	13.3
100.93374	14.2
101.02439	1.1
106.98084	1.1
115.92090	16.6
116.92846	1.1
122.97572	1.3
125.02441	1.2
129.11873	0.5
134.97598	2.1
136.99156	0.5
148.99117	2.3
152.98651	2.8
164.98618	5.4
165.49228	0.4
206.99725	1.2
225.00763	5.7
255.18163	0.4
255.23323	1.2
276.11804	0.4
299.04263	1.0
443.50980	0.5
455.35703	2.6
456.35767	1.3
457.35886	1.3
537.26819	1.8
555.28168	100.0
556.28497	6.9
569.25885	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	556.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
61.98840	96.2
78.95922	3.2
88.70621	1.6
89.02453	2.5
94.19516	1.5
101.02474	1.9
154.06215	1.7
235.08316	2.8
253.09386	13.5
277.21765	100.0
278.22101	4.5
279.23346	15.4
392.72375	1.6
471.34778	12.0
472.35165	4.5
504.30997	9.9
556.32635	58.3
557.32874	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	556.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59583	0.6
59.01382	5.3
60.48282	0.7
63.36106	0.7
69.11939	5.3
71.01394	3.0
72.02286	0.7
73.02948	1.2
83.36079	0.7
89.02452	2.5
100.61645	0.7
101.02500	3.7
113.02479	1.3
119.03526	1.1
132.28235	0.7
161.04587	0.9
235.08269	2.1
253.09349	17.6
253.92632	0.8
254.09824	0.9
271.67188	0.9
277.21771	100.0
278.22079	3.8
279.23334	4.1
340.21255	0.8
358.75140	0.8
504.30667	1.1
508.72144	0.9
557.07251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79137	0.6
61.98833	100.0
69.12754	2.6
69.13158	0.7
279.23401	1.3
321.06097	0.6
471.34811	14.1
471.41531	0.7
472.35480	2.6
474.35855	1.2
494.91843	0.6
556.32556	79.6
557.33185	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	556.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17260	0.7
61.98837	100.0
78.95930	0.7
85.00904	0.7
98.22549	0.6
102.45529	0.6
102.78248	0.6
173.66394	0.7
241.01196	0.8
241.21838	1.2
349.59412	0.6
471.34790	13.2
472.35129	2.2
474.35913	1.3
503.49750	0.7
556.32562	57.0
557.32928	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	556.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39963	0.5
54.84447	0.5
61.98838	100.0
69.12526	2.2
69.12930	0.9
73.27827	0.4
82.73597	0.5
98.21891	1.0
104.58234	0.5
140.31316	0.5
162.57169	0.4
229.79497	0.6
253.09293	2.0
265.14700	0.5
277.21759	9.2
279.23297	2.7
310.18616	0.5
333.94888	0.5
471.34818	15.8
472.35016	3.0
473.35226	0.7
474.35632	1.3
526.26501	0.5
556.32568	60.4
557.32880	3.7
574.23083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
72.23159	0.8
72.99315	15.3
86.96266	1.0
96.88564	0.9
99.04489	1.0
107.05047	2.4
109.02978	1.7
109.46600	0.9
112.87316	0.9
117.03474	1.2
119.04945	1.0
123.04546	6.4
133.02957	7.2
134.03773	4.5
135.04539	100.0
136.04831	1.4
151.04019	1.7
151.43375	0.8
153.05649	2.0
160.01659	1.1
161.02458	49.6
162.02853	1.1
163.04019	1.2
179.03511	41.4
180.03850	1.3
197.02840	1.3
197.04576	19.0
313.07248	1.3
314.07397	1.8
315.07840	3.0
323.07785	10.7
359.07745	60.1
360.07919	2.4
521.12854	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	557.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.6
61.98831	1.1
64.40551	1.0
70.96068	1.6
71.01388	2.0
72.99313	1.9
73.02966	1.3
85.02962	1.3
96.96004	1.0
101.02467	2.0
109.03006	2.1
133.02975	1.8
135.04588	5.5
136.66228	1.0
161.02475	4.3
179.03592	1.7
197.04547	2.0
207.08313	1.2
235.07668	8.1
237.09331	1.7
247.07655	2.5
249.05588	2.5
249.09096	1.3
259.38110	1.1
260.82910	1.1
262.06430	1.2
263.07159	100.0
264.07861	13.6
265.08728	39.2
268.14032	1.0
285.56894	1.1
295.06387	1.5
307.06171	53.2
308.06918	25.5
309.07657	4.1
311.59109	1.1
321.04089	2.6
469.15094	3.0
471.13010	21.7
513.14075	44.9
514.14484	3.1
557.29980	6.7
557.90131	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60193	10.1
59.01371	39.4
69.31292	62.1
78.73498	11.4
190.66681	11.1
202.59808	10.7
354.85825	14.0
487.34274	24.9
488.34854	74.2
489.35159	25.6
514.36023	14.3
556.32776	15.7
557.33221	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	557.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26110	0.5
61.98838	100.0
70.69565	0.5
70.69899	0.8
78.95927	0.9
185.33821	0.4
255.23370	2.1
256.23679	0.8
480.31161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95824	0.3
57.58816	0.3
59.01394	0.6
61.98834	100.0
71.01356	0.3
72.99315	0.5
93.03477	0.9
96.96075	0.4
109.02983	0.8
113.02464	0.4
123.04532	0.4
123.42039	0.4
133.02963	0.8
135.04546	4.8
136.04887	1.1
137.02438	2.0
150.03290	1.3
161.02470	1.1
162.02812	0.5
163.48358	0.4
165.05569	2.9
179.03531	1.6
180.03951	0.6
281.06656	3.2
331.94345	0.4
359.07870	0.5
359.20465	0.4
495.15149	6.1
496.16290	0.5
513.31091	0.4
537.36981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01388	17.1
61.98836	100.0
70.08836	0.6
71.01396	2.1
71.41114	0.7
72.99325	0.9
73.02961	2.8
83.01385	1.0
85.02970	1.4
87.76712	0.6
89.02458	1.0
101.02451	2.7
113.02466	1.3
116.92873	0.7
132.66473	0.6
133.02965	0.9
134.03770	0.9
135.04533	2.7
161.02518	3.6
161.04533	0.8
162.02846	0.7
178.55258	0.6
179.03577	1.1
197.04572	0.8
219.13988	1.1
232.11139	1.2
247.13383	6.8
267.65332	0.6
271.13797	0.6
289.14584	2.1
309.35986	0.6
331.15704	0.9
359.27924	1.1
359.72870	0.7
360.28543	0.7
391.17676	9.8
392.18161	0.8
409.18884	1.6
451.19815	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
59.50215	0.5
65.46603	0.5
70.65132	0.6
75.46432	0.5
78.95908	12.1
96.36776	0.5
101.73343	0.5
106.53716	0.5
107.23760	0.5
118.26316	0.5
125.82859	0.5
137.38332	0.5
140.01216	3.5
152.99625	1.1
170.12378	0.5
196.02299	0.6
196.03786	3.6
214.04796	2.7
279.23309	100.0
280.23672	4.4
314.22571	0.5
394.61380	0.5
433.18546	0.5
442.13998	0.9
467.22018	1.0
476.27838	22.9
477.28171	1.3
514.23975	0.6
515.25531	0.6
520.20886	1.2
539.05426	0.5
558.26880	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	558.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
61.00443	1.5
61.98817	2.3
62.17190	1.5
66.67010	1.4
67.50465	1.8
69.11216	6.4
69.11622	3.8
69.63775	1.4
78.95927	2.4
97.52580	1.7
101.02493	2.6
161.04575	1.6
170.73106	1.6
179.47086	1.5
250.74033	1.5
253.09373	14.1
279.23322	100.0
280.23715	3.4
281.24890	4.6
371.52603	1.6
506.32480	3.2
533.57489	1.6
580.34186	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	558.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.9
61.98838	20.8
70.47209	2.5
70.48870	1.3
71.01376	2.6
74.70452	1.3
74.75090	1.2
78.95901	4.4
85.86338	1.2
89.02465	3.0
98.22634	1.3
105.95553	1.2
114.05734	1.2
115.31481	1.3
167.01047	1.8
242.08035	1.8
253.09282	16.3
279.23325	100.0
280.23639	4.0
281.24908	57.4
282.25070	6.9
283.25601	4.1
374.58197	1.3
506.32477	17.0
507.33405	1.8
508.33313	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	558.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27619	16.8
61.98818	23.3
62.11658	19.2
68.72507	15.7
69.12196	100.0
72.90028	14.8
110.52486	16.5
121.99278	17.3
316.53442	19.2
408.25879	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	559.1821
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
50.21588	0.5
56.41150	0.5
56.96683	0.5
59.01387	8.9
62.44142	0.5
63.32468	0.5
65.87497	0.5
71.01392	3.1
71.41648	0.5
72.99312	2.5
73.02954	1.8
83.01358	0.6
83.07576	0.6
85.02980	0.8
87.00851	0.9
101.02449	1.2
109.02953	2.6
133.02992	0.7
134.03760	0.8
135.04553	4.8
145.02960	0.8
147.04489	0.6
148.95596	0.6
161.02425	1.5
179.03468	3.0
185.02386	0.9
197.04562	2.9
224.04799	0.9
225.05556	0.7
238.06335	0.8
239.86032	0.6
251.07086	1.4
253.05025	2.5
266.05847	1.6
267.06750	1.0
268.07321	2.3
269.08194	4.0
277.04932	0.7
279.06570	1.2
280.07394	0.8
281.04541	1.8
281.07922	1.2
282.05124	0.7
283.09616	0.6
291.06308	0.9
294.05432	1.3
295.06094	2.1
295.09607	1.0
296.06882	5.6
297.07593	1.9
309.07672	2.3
313.10693	1.3
321.04037	2.0
323.09280	1.5
325.07214	1.8
326.07968	1.8
328.05789	1.6
335.05618	0.8
339.05005	2.1
339.08725	1.3
340.09259	0.7
341.10333	5.3
354.07358	3.0
369.09833	13.2
374.71805	0.6
383.11169	4.0
431.13455	1.5
441.12152	0.9
453.72260	0.7
459.12997	1.6
469.11411	0.7
484.13956	1.3
485.14438	1.1
487.12628	3.5
499.16318	3.0
501.14417	0.8
517.16895	3.1
529.13751	1.3
544.15948	19.3
545.16193	1.0
559.18237	100.0
560.18665	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	559.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51302	1.2
54.88730	1.1
55.01881	1.9
57.03443	2.1
59.01387	100.0
69.03469	3.7
70.69483	2.0
71.01389	46.4
71.01786	2.2
72.99296	1.2
73.02954	16.4
75.06757	1.1
81.03455	2.8
83.01415	5.7
85.02961	18.1
87.00881	9.7
89.02448	18.4
95.01408	5.6
97.02976	5.8
99.00904	3.6
101.02465	17.0
103.04028	3.6
109.02982	3.9
113.02467	36.4
119.03532	6.8
125.02473	9.6
127.04047	4.9
134.03734	13.7
137.06093	1.5
141.76994	1.3
143.03555	4.1
149.06108	9.8
152.04849	1.8
155.03516	6.0
161.04558	3.9
167.07161	6.0
179.90062	1.6
198.74121	1.4
203.05612	7.8
252.12875	1.4
311.11420	9.6
329.12405	6.0
356.65894	1.4
371.13602	6.3
421.15076	2.0
457.17065	8.1
475.18192	24.9
499.18085	5.1
517.19330	61.5
518.19733	3.7
559.20819	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	559.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03444	2.4
59.01385	100.0
64.82797	1.0
69.03458	3.1
70.93591	2.1
71.01387	43.3
72.99292	1.4
73.02951	15.8
81.03471	2.9
83.01389	5.3
85.02962	22.8
85.03959	1.1
87.00887	8.9
89.02450	17.3
93.03461	1.1
95.01391	6.4
97.02950	4.1
99.00879	2.0
99.04601	1.3
101.02445	15.0
103.04043	2.6
103.34623	1.2
109.02950	4.1
113.00239	1.0
113.02458	38.9
116.92890	1.2
119.03488	4.4
125.02441	7.2
127.04012	4.8
131.03543	1.3
134.03757	11.9
137.06091	3.1
143.03470	6.3
145.04967	1.1
149.06081	9.7
152.04793	2.7
155.03542	6.8
161.04524	4.6
163.06152	2.7
167.07120	4.6
170.65057	1.0
203.05624	8.1
223.90942	1.3
255.36310	1.1
311.11420	10.9
329.12531	9.2
371.13464	8.2
404.06381	1.3
457.16943	9.4
475.11407	1.3
475.18216	28.8
499.18259	7.1
517.19299	57.7
518.19666	3.8
559.20306	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51832	0.6
57.99659	0.6
59.01384	6.8
62.09954	0.7
63.58873	0.9
71.01389	2.2
72.99329	4.8
73.02945	1.3
78.95936	4.6
79.95744	3.2
85.02948	0.9
87.00895	1.4
93.03465	6.8
96.96023	100.0
96.96925	8.0
97.02985	0.7
98.95629	1.8
99.86695	0.8
101.02457	2.2
109.02945	3.8
113.02489	1.0
115.92133	1.4
123.04520	2.3
129.25671	0.7
133.02951	1.2
135.04529	12.5
137.02467	10.7
147.04514	0.9
149.02303	0.7
150.03177	0.8
151.04082	0.9
159.04523	1.6
161.02519	1.5
161.04509	0.8
163.04037	2.1
176.72903	0.8
179.03511	8.3
183.72696	0.7
185.02452	1.9
197.04602	3.2
207.03008	3.1
291.06467	1.9
295.06082	1.5
299.16513	0.9
308.43338	0.7
321.04086	1.9
335.05417	1.4
339.05017	1.4
351.07239	2.6
499.28995	0.8
517.22766	0.8
517.30182	0.9
559.20648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45600	11.6
59.01385	100.0
61.98827	19.4
62.30986	10.5
70.35484	8.6
71.01394	17.9
73.02951	18.9
99.04520	11.4
101.02474	11.7
115.92100	14.2
116.92884	65.2
127.49854	9.2
133.02017	9.4
133.02986	32.4
135.04544	25.8
158.81673	9.3
161.02455	85.0
164.04184	9.5
171.10201	15.4
246.99852	10.9
250.29292	9.3
328.95425	9.6
473.27274	21.5
515.28424	70.9
517.30737	13.0
559.31232	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28880	1.1
61.98824	2.4
78.95914	8.4
91.73629	1.0
152.99550	2.0
168.04361	1.9
175.83232	1.0
218.78320	1.0
224.07031	1.2
242.08081	3.3
277.21753	100.0
278.22052	3.6
485.32776	5.3
502.29486	35.1
559.25793	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	559.316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18876	1.9
59.59146	1.7
61.98833	4.8
70.99690	1.9
78.95914	24.6
90.92680	1.9
98.22523	2.0
105.42308	1.7
113.81194	2.3
113.97744	2.0
152.99583	6.3
168.04333	2.3
196.87009	1.9
197.67435	2.0
224.06903	8.7
233.64531	2.2
242.08086	2.3
268.97501	2.4
277.21753	100.0
278.22003	2.4
315.10623	2.0
324.31915	2.0
502.29483	97.2
503.29565	3.5
559.29541	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	560.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	3.5
73.16883	3.5
90.11810	3.5
101.02432	4.8
133.02917	3.5
135.04544	15.1
136.06726	3.6
147.22314	3.7
152.99533	5.0
161.02446	14.3
209.35565	4.2
253.09248	18.3
254.09671	5.0
277.21750	100.0
278.22147	43.8
279.23343	16.8
318.59717	3.6
330.97308	3.8
352.90170	3.5
399.21762	6.8
504.31055	8.2
540.07581	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	560.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79129	7.9
62.32559	6.8
71.29422	8.4
87.25327	7.6
101.67411	7.0
117.47774	6.5
120.78325	6.5
135.04546	21.9
153.69713	9.2
179.03496	9.4
246.33875	8.2
253.09294	20.6
277.21802	100.0
278.22144	57.7
279.23203	12.5
365.37320	9.3
430.09131	8.3
495.87225	9.8
525.36310	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.2
61.98829	2.0
64.34957	0.8
71.01394	4.3
71.92683	0.7
72.99314	2.2
73.02955	1.8
81.03484	0.7
83.01383	1.0
85.02962	2.3
85.97649	0.7
87.86380	0.8
89.02458	1.7
101.02463	3.8
109.02975	1.3
113.02464	2.3
117.03419	0.8
119.01411	2.1
119.05029	2.1
121.03023	2.1
123.04542	0.9
132.02199	23.3
133.02957	2.4
134.03764	20.0
135.04555	7.3
136.04955	0.9
145.02989	1.7
147.00922	1.6
147.04532	1.6
149.02472	8.1
149.06096	2.7
151.04057	0.9
160.01682	86.0
161.02463	7.5
161.04610	1.5
162.03067	0.8
163.03963	3.9
164.04753	7.2
174.03276	1.5
175.00485	12.0
175.04024	100.0
176.01111	1.0
176.04469	4.2
177.01949	0.8
177.05705	1.2
178.02806	1.8
179.03566	2.9
179.07185	2.3
181.48494	0.7
190.02722	30.8
191.03445	3.7
191.07173	3.0
192.04320	1.1
193.01462	1.0
193.05081	18.5
197.04587	2.3
202.02748	2.0
205.05078	39.6
206.05710	3.2
208.03766	2.1
217.01520	0.9
217.05095	7.0
221.08241	3.5
223.06123	15.3
235.06178	3.2
247.06125	2.5
250.04845	1.2
265.07156	6.7
295.08517	4.9
321.04065	1.2
325.09363	6.5
337.06033	0.9
337.09372	7.2
353.08911	1.2
359.07846	1.0
367.10370	28.1
367.14975	1.6
368.10806	1.8
385.11246	1.0
471.31238	0.8
501.30627	4.8
519.31921	1.6
561.16302	6.2
561.23907	1.0
561.33685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
69.48595	0.6
69.49006	1.0
71.01399	0.5
78.95908	7.0
79.95743	2.8
82.11355	0.3
96.96024	100.0
96.96935	13.8
101.02444	0.3
106.19688	0.3
123.04569	0.7
128.97868	0.3
135.04555	0.9
145.02948	0.6
156.98219	0.4
160.97722	0.3
161.02487	0.8
162.03282	0.4
167.03551	1.0
170.99706	0.5
179.03494	0.7
198.99301	0.8
209.04617	1.2
241.16910	0.3
259.01328	0.4
269.06863	0.6
329.08841	0.3
429.14801	0.7
463.21915	0.7
507.15570	1.4
561.18738	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	561.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55431	0.6
56.65399	0.6
57.03454	100.0
58.03795	0.7
59.01386	18.6
67.01897	0.8
72.99297	3.0
77.15614	0.6
78.98077	0.6
81.03475	2.6
86.45635	0.5
96.96046	0.8
98.21918	2.2
99.04530	40.5
101.02453	20.4
101.03098	1.0
108.02203	1.4
109.02987	2.7
120.45431	0.6
121.02970	1.3
123.00954	0.7
123.04539	2.6
125.02502	4.0
133.02979	3.1
134.03764	1.9
135.04546	7.7
136.01695	7.5
137.02493	1.5
143.03511	0.8
145.02974	0.7
149.02448	3.5
149.06111	1.6
150.03236	4.2
151.04060	8.5
153.16930	0.8
159.04617	1.6
160.05328	1.2
161.02458	7.5
161.04625	1.5
162.03178	1.5
163.04128	0.9
164.04860	2.3
165.01976	0.8
165.05629	3.6
171.04593	0.8
176.04778	1.3
177.05634	1.7
178.09436	0.7
179.03506	4.4
185.02553	1.6
187.03960	3.0
188.04796	8.5
191.07166	1.4
197.04573	3.1
203.07153	10.2
203.09045	0.8
263.09344	2.2
279.06769	1.0
293.04672	0.8
294.09076	1.0
295.06366	1.8
306.31409	0.8
321.03992	4.2
324.09930	0.9
327.12424	9.6
339.05215	2.2
339.12451	10.2
339.16455	1.0
353.06717	0.7
354.32922	0.6
357.10056	2.3
367.55942	0.7
387.14453	3.8
399.14545	3.3
403.49780	0.7
417.15549	4.0
439.17645	0.9
459.16660	8.2
499.19821	14.8
499.26563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41368	1.2
59.01392	9.2
60.12805	1.1
61.98833	1.6
71.01395	3.4
72.99338	1.7
73.02940	3.1
80.75549	1.4
81.03462	2.6
89.23465	1.3
91.01891	3.0
96.96015	2.8
97.97189	1.3
99.92609	1.7
101.02434	1.7
109.02965	1.6
113.02462	1.6
115.92103	2.8
116.92877	18.0
117.03461	1.4
117.05596	2.6
118.51089	1.2
122.03762	1.8
123.04515	1.6
132.02205	14.2
133.03015	6.3
134.03755	19.4
135.04561	8.0
135.11815	3.8
137.09715	6.2
149.06142	2.8
160.01674	54.6
161.02455	13.6
161.09735	2.8
174.78354	1.1
175.02501	2.8
175.04030	57.0
179.03537	4.8
179.10800	46.4
179.75900	1.6
193.05017	10.7
205.08694	19.7
223.09802	8.6
313.08798	1.3
323.07779	8.5
337.09344	7.4
487.70166	1.6
517.21100	3.5
517.29657	2.3
529.16986	2.0
561.19830	100.0
561.32465	6.7
562.20190	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71872	0.5
70.92094	0.8
91.91972	0.5
105.03484	0.7
107.05045	1.5
107.92500	0.5
114.53224	0.5
133.02997	4.1
134.03752	5.7
135.04543	100.0
136.04855	1.7
151.03992	0.7
161.02486	1.5
177.01973	0.8
179.03529	8.2
186.29347	0.5
197.04695	0.6
221.04642	0.6
273.91525	0.5
363.19418	0.8
381.20819	1.4
399.21643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.25
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62954	0.8
61.98836	9.0
66.30297	0.8
69.11234	3.8
69.11655	3.2
72.99319	26.2
78.95904	2.4
81.03467	1.1
83.01371	1.0
91.92294	1.1
93.03468	1.1
95.05015	2.2
105.03468	3.4
108.02188	2.7
117.63223	0.9
121.02975	6.1
122.03780	2.7
123.03637	1.6
123.04542	33.5
133.02975	23.6
134.03746	2.3
135.04552	19.6
141.65314	1.0
151.04024	80.2
161.02458	21.7
161.79204	0.9
177.01944	4.7
179.03528	5.9
230.85468	0.9
279.23306	29.7
337.21564	1.1
355.22729	2.9
374.42947	1.1
381.20767	3.3
399.21799	100.0
400.22174	5.0
476.27634	5.0
477.27692	1.3
504.30774	4.9
561.25421	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	561.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36557	1.0
58.29897	1.0
61.98839	59.3
62.57843	1.0
69.12881	2.5
69.13286	5.2
71.53570	1.0
71.79910	1.1
78.95910	7.6
84.58414	1.2
95.65487	1.1
97.61176	1.3
140.01166	2.0
151.86275	1.0
196.03885	1.5
214.04854	3.0
215.60272	1.1
279.23328	100.0
280.23785	5.2
364.20984	3.7
407.60703	1.5
441.63531	1.1
476.27853	26.4
477.27988	1.5
479.28256	1.2
504.29822	1.0
561.25623	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	561.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03455	2.3
59.01386	100.0
61.98826	2.0
69.03445	1.6
70.87192	0.9
71.01386	18.6
72.99307	3.7
73.02950	8.6
76.67921	0.9
79.44814	0.8
81.03426	0.8
83.01395	7.1
84.03722	0.9
85.02958	13.5
87.00892	1.8
89.02458	3.3
93.07093	2.5
95.01395	2.0
97.02932	1.7
97.06612	1.3
99.00883	3.6
101.02456	16.6
103.35487	0.8
105.03498	0.9
109.02934	1.4
111.00870	2.9
111.91203	0.8
112.01675	1.4
113.02452	9.7
116.92876	1.5
117.03432	1.0
117.31010	0.8
119.05031	2.6
121.10208	1.3
123.04479	1.1
124.01667	0.9
125.02428	3.3
125.09772	1.4
131.90247	0.8
133.02946	3.8
134.03770	5.4
135.04552	9.8
137.09750	1.2
141.01877	0.9
141.12863	1.7
143.03535	1.7
145.02963	1.9
149.06085	1.5
155.10828	0.9
159.02979	1.5
160.01625	5.0
161.02458	6.5
161.04573	3.5
163.04021	1.2
171.13878	1.6
175.04034	5.9
176.04736	3.2
179.03516	3.2
185.11855	1.7
191.07140	3.8
193.05074	6.5
197.04530	2.0
200.14114	1.3
201.14809	1.0
207.06616	1.0
227.16534	3.8
229.18074	2.4
235.06154	10.9
265.07187	5.0
274.21210	0.8
295.08432	5.1
339.05154	1.2
339.25415	1.5
344.18329	3.4
345.18933	1.2
355.10260	1.5
357.26413	5.3
362.19449	7.2
371.20834	5.9
372.21652	2.3
373.22278	2.2
389.21912	7.6
390.22375	3.2
391.23318	2.4
423.27179	1.0
441.28497	1.2
453.28317	1.4
465.28543	2.8
467.33286	1.1
471.29608	1.2
483.29828	4.7
501.30765	90.9
502.30908	6.0
519.31842	34.9
520.31793	1.8
543.31921	1.5
561.15466	1.4
561.23407	1.0
561.32458	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	561.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
56.44182	0.6
57.03458	3.0
58.00602	1.0
59.01387	100.0
61.98837	1.0
66.92693	0.5
69.03469	0.9
71.01389	21.2
71.05023	0.9
71.25871	0.8
72.99326	1.8
73.02956	8.7
75.00890	0.7
81.03474	0.8
83.00958	1.0
83.01395	4.8
83.05015	0.6
84.02183	0.6
85.02961	13.6
85.22002	0.6
86.00113	1.2
87.00902	2.5
87.04539	0.7
89.02461	2.5
95.01399	2.8
96.96024	3.9
97.02965	2.2
97.06602	1.7
99.00902	2.8
101.02453	16.7
109.02961	0.6
109.06577	0.7
111.00900	2.7
112.01677	0.9
113.02468	9.4
115.04047	0.7
116.92857	0.7
119.03542	0.8
121.10249	2.4
123.08190	1.0
124.01675	0.8
125.02434	1.7
125.09709	1.4
129.01947	1.5
132.02191	1.9
133.02992	1.5
134.03795	4.8
135.04550	2.5
137.02505	1.5
137.09752	1.0
139.11292	0.8
140.30956	0.7
141.12857	3.0
143.03532	1.7
145.03003	0.6
149.09750	0.9
155.10774	1.1
159.03040	2.0
160.01680	6.3
161.02516	3.5
161.04553	3.7
169.12370	0.8
171.14005	2.8
175.04036	5.5
176.04803	0.7
178.02754	0.9
179.03493	1.8
185.11871	1.0
186.16104	0.6
191.07127	1.6
192.35274	0.5
193.05096	6.3
199.13420	0.8
200.14149	1.8
201.11295	1.2
201.15056	1.0
214.50166	0.6
229.18120	2.5
235.06218	4.1
256.03973	0.7
265.07275	2.9
278.17520	0.7
295.08331	3.9
303.23001	0.8
321.04037	0.7
321.24268	1.8
333.19113	0.9
339.25436	3.6
343.17554	0.9
344.18481	7.3
345.18939	0.7
355.09720	0.7
357.26511	8.9
358.26807	0.7
361.18564	1.4
362.19528	15.0
373.22379	0.8
391.23465	1.5
441.28723	1.0
447.27829	0.8
453.28250	1.6
465.28806	3.8
471.29739	1.3
483.29593	6.6
489.20132	0.8
501.30774	98.9
502.31076	6.4
519.31812	36.2
520.31885	2.7
543.31366	1.7
561.33173	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	561.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66135	0.7
65.22889	0.7
67.86425	0.8
69.10929	5.0
72.99315	2.3
78.95911	6.4
98.21938	1.5
100.17278	0.7
108.74306	0.7
121.02938	0.8
123.04527	3.4
133.02982	1.7
135.04530	3.2
143.33714	0.8
151.04028	6.5
152.99597	3.2
161.02507	1.2
168.04398	0.9
242.08038	2.4
279.23322	100.0
280.23660	4.0
399.21848	10.2
400.21960	1.3
433.23581	0.8
440.99026	0.8
504.31009	37.8
505.31223	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26926	1.0
61.98833	2.1
65.47757	1.3
69.10956	5.5
69.11369	2.1
69.58463	1.2
72.99312	3.5
78.95914	22.0
83.01400	3.4
98.21868	2.1
123.04514	2.9
133.02954	4.4
135.04535	10.6
151.04034	5.0
152.99615	5.0
161.02438	8.3
168.04341	3.5
179.03561	1.7
224.06958	9.0
242.08034	2.0
259.20850	1.5
279.23318	100.0
280.23694	3.3
399.21790	12.8
402.91602	1.3
463.95679	1.0
504.31073	75.7
505.31348	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	562.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28859	0.5
61.98837	100.0
66.38502	0.5
66.49090	0.5
67.89088	0.5
69.78698	1.6
71.38725	0.4
96.34637	0.5
99.00926	1.0
109.02980	1.8
113.02460	0.6
133.02994	0.9
135.04543	2.0
137.02544	0.6
139.00394	1.5
141.53072	0.5
149.06091	12.0
159.04565	0.8
161.02435	2.3
161.06116	0.7
165.01994	1.4
165.05516	0.5
173.28278	0.5
175.04034	2.1
177.02013	1.5
187.04019	1.1
189.85500	0.5
193.05090	1.7
213.05656	0.6
219.03027	4.8
231.03029	0.9
233.04639	1.8
237.04108	5.7
257.04803	0.6
259.02509	4.3
264.66879	0.5
269.92523	0.6
275.05728	1.0
277.03711	1.2
293.06805	0.5
319.04590	1.7
331.45859	0.5
337.05707	12.9
337.09549	0.9
381.08197	1.2
399.09341	1.6
419.10846	0.6
439.08737	0.6
481.09915	24.0
482.10168	1.1
496.91934	0.6
499.10913	5.8
562.10992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1411
Annotation	5,7,3'-Trihydroxy-6.8,4'-trimethoxyflavone 5-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
56.17115	0.3
57.03445	0.6
59.01387	10.5
61.98827	1.0
66.12864	0.3
69.38242	0.8
69.38653	0.8
71.01389	3.5
72.77460	0.3
72.99317	1.5
73.02953	1.0
74.15135	0.4
76.44545	0.4
78.91895	0.7
78.95917	1.2
80.80485	0.3
83.01395	0.6
85.02979	2.1
87.00876	0.4
88.98820	0.5
89.02441	0.9
93.03451	0.3
95.01415	0.3
96.96040	0.4
97.02950	0.3
101.02466	2.2
109.02985	0.6
111.00864	0.4
113.02461	1.4
119.05051	0.4
121.02951	0.5
123.04550	0.7
125.02442	0.9
132.02225	0.4
133.02971	1.8
134.03757	1.0
135.04532	5.0
139.04027	0.9
145.03036	0.3
147.00891	0.5
148.01659	0.5
149.02467	2.7
151.04039	0.4
160.01682	1.3
161.02451	3.5
161.04536	0.7
163.04033	0.5
164.98297	0.6
175.00401	3.2
175.04102	1.6
175.83720	0.3
178.99898	0.5
179.03539	1.3
190.02640	0.3
191.03720	0.4
191.05626	0.5
192.33659	0.3
193.05148	0.7
197.04582	0.6
201.01866	0.3
202.02669	2.7
213.01915	0.4
214.02769	0.6
229.01419	0.7
230.02177	2.4
235.99376	0.4
242.02229	1.1
257.00928	3.0
258.01691	4.4
269.00885	1.3
269.36423	0.3
270.01703	1.7
272.03241	0.9
283.02606	0.9
284.02948	0.5
285.00433	2.4
285.03851	0.7
286.01218	22.2
287.01630	0.5
297.00317	0.8
298.00989	0.4
299.05798	0.4
300.02719	0.6
301.03500	4.4
311.02286	0.3
312.02704	0.5
312.99911	0.8
314.00693	11.0
315.01205	0.6
327.22162	0.6
328.02356	0.9
329.03058	45.9
330.03448	1.5
343.04688	4.2
344.05399	56.4
345.05765	2.3
359.07758	100.0
359.28079	1.4
360.08124	4.1
383.03925	0.5
383.08304	0.4
401.09055	1.1
402.12189	0.5
407.24490	0.4
503.12061	0.8
503.32281	4.8
521.12738	0.4
521.33704	2.0
548.11792	1.1
562.32532	0.4
563.14191	15.8
563.24683	1.8
563.33698	0.8
564.14453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.0
66.19594	0.6
69.03445	1.4
69.83926	1.5
69.84295	1.2
71.01383	2.3
72.99297	0.9
74.62182	0.6
78.22340	0.6
83.01412	1.1
85.02977	1.5
89.02460	1.8
95.01400	1.3
97.02965	1.1
107.01401	0.7
109.02980	0.9
113.02466	0.9
117.05569	1.5
123.00899	9.4
123.04538	1.0
124.01675	22.7
125.02464	35.0
133.02953	1.9
135.04547	5.3
137.02464	1.5
149.02510	1.0
149.99600	35.5
151.00351	2.0
151.04005	1.4
161.02492	3.6
167.03552	1.9
168.00658	82.7
169.01416	4.6
175.02534	1.6
179.03546	2.3
197.04631	1.0
269.06589	1.8
297.06210	0.8
299.05679	0.9
359.07733	1.2
370.08365	0.7
431.11819	2.6
445.10037	0.9
556.18646	0.7
563.16199	100.0
564.16595	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	563.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.6
59.01387	50.9
71.01389	8.7
72.99309	4.5
73.02935	5.2
85.02959	3.1
89.02445	3.1
96.96001	2.4
101.02478	5.2
102.34304	1.8
108.02179	5.2
109.02930	3.0
113.02427	4.6
119.01417	4.6
119.05032	5.1
121.02975	6.4
123.04531	6.9
124.01653	2.4
132.02185	3.8
133.02966	5.7
134.03783	5.4
135.04539	33.6
136.05327	13.0
137.02446	2.0
147.00879	4.3
147.04573	2.7
148.01704	2.8
148.04004	3.2
149.02454	18.1
150.03203	8.5
151.04051	5.0
151.07620	5.2
158.34285	1.9
160.01701	11.2
161.02469	18.2
164.04860	12.5
165.05510	2.6
175.00395	29.5
175.03989	11.7
176.01187	34.1
177.01955	2.8
179.03535	5.1
179.07167	2.8
190.02733	77.9
191.01944	3.0
191.03546	45.2
193.05002	3.3
194.02144	2.1
194.05792	3.1
195.06647	68.8
196.06885	3.7
197.04536	3.9
205.05077	90.8
206.05481	4.1
209.04558	6.9
209.08307	3.8
223.06070	13.5
229.26599	2.0
235.06192	5.8
237.93956	2.1
251.05504	4.0
265.07300	2.3
295.11038	2.8
353.08810	28.1
354.09464	2.2
359.14651	4.6
367.10358	70.9
368.10739	3.3
387.16522	3.3
488.14694	4.8
503.32425	9.5
521.33533	2.9
531.15277	3.6
532.13751	4.2
548.14954	3.2
563.17645	100.0
563.25049	10.2
564.17700	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	563.183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51796	3.0
58.13260	2.6
59.01385	71.4
62.15799	2.4
69.53412	13.2
71.01393	44.8
73.02966	3.7
85.02959	10.2
87.00896	14.5
89.01936	5.3
89.02453	65.9
100.14541	2.5
101.02451	38.4
113.02480	19.6
119.03497	9.7
131.03494	5.5
143.03497	9.2
161.04568	11.0
162.43048	2.8
179.05635	60.2
193.20058	2.7
221.06682	33.6
221.48383	2.7
250.02238	2.6
323.09824	7.7
341.10974	6.8
432.48041	3.9
440.91632	2.9
503.16251	100.0
504.16870	6.2
510.62006	2.9
582.49921	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03461	0.6
59.01387	40.7
60.01711	0.3
61.98838	0.6
63.25902	0.3
71.01387	8.0
73.02958	1.1
83.01405	0.6
85.02956	2.0
87.00890	0.4
89.02454	8.0
89.03978	0.4
95.01427	0.5
96.96056	0.3
101.02457	6.5
105.03517	0.3
113.02454	3.3
117.03468	1.3
119.03523	2.6
122.58553	0.2
132.02187	6.5
133.02972	4.9
134.03751	13.7
135.04576	1.9
145.10263	0.4
147.04498	0.6
148.05298	0.5
149.06119	1.2
160.01674	28.9
161.02466	13.8
161.04489	0.5
163.11316	4.4
175.04021	33.7
176.04764	1.7
177.02048	0.3
177.05730	0.3
178.02711	0.8
179.03481	1.3
191.07130	3.0
192.04352	0.3
193.05067	10.9
207.06686	1.0
207.10275	7.5
209.83629	0.3
220.03792	0.3
229.46028	0.3
235.06131	4.7
265.07196	1.1
277.78253	0.3
295.08307	1.5
327.21936	0.4
369.15344	1.9
386.01672	0.3
387.16626	100.0
388.17007	4.3
489.17560	1.4
503.19534	1.7
503.32318	1.5
521.33209	0.7
531.18713	2.1
563.21344	38.9
564.21893	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	563.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01385	18.0
65.56555	0.7
71.01384	7.0
72.99325	1.1
85.02960	2.4
89.02469	3.2
95.01360	0.7
96.96021	1.2
101.02450	3.7
105.03521	0.7
108.04566	0.6
109.02968	1.0
111.00909	0.8
113.02463	2.9
117.03444	1.6
119.03572	0.9
119.05069	0.9
123.04545	1.5
132.02185	22.8
133.02980	5.6
134.03757	33.6
135.04552	8.7
137.02469	1.3
145.03024	0.8
147.04547	2.5
148.04173	1.1
148.05319	2.0
149.06128	5.6
151.04070	0.8
158.03703	1.5
160.01675	100.0
161.02454	5.7
167.03426	0.8
173.06068	1.8
175.04018	97.0
176.04790	9.5
177.01907	1.5
178.02719	3.8
179.03505	2.7
185.02345	0.6
191.07164	15.2
192.04251	0.7
193.05069	39.6
194.05411	0.9
194.08319	0.7
197.04633	0.9
207.06656	4.8
209.02216	0.7
209.06183	0.8
217.05084	1.5
220.03752	1.5
221.06296	0.7
221.08324	0.8
235.06123	55.2
236.06497	1.6
237.05685	0.7
253.09880	0.6
265.04688	1.2
265.07239	13.0
266.07401	0.7
267.06622	0.8
279.02969	1.4
283.11115	0.8
295.08255	18.2
295.10889	1.4
312.89291	0.8
321.04095	1.9
337.09689	0.8
339.05048	2.5
339.09216	0.9
345.10870	1.3
355.10492	3.6
383.03748	1.5
488.14813	2.9
503.32132	1.7
505.21069	0.7
532.13385	2.2
533.20648	1.0
545.23865	1.2
563.25012	97.9
564.17114	1.0
564.25397	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	563.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66613	0.3
52.89672	0.3
55.01855	0.5
57.03457	0.8
59.01389	8.8
60.12497	0.3
65.82545	0.3
71.01387	5.6
73.02956	3.0
79.75188	0.3
81.10529	0.3
83.01392	1.4
85.02953	3.1
86.32094	0.3
87.00897	0.4
89.02452	0.5
95.01395	0.5
98.17445	0.3
98.22753	0.5
101.02457	3.4
105.03437	0.6
113.02460	2.4
116.99869	0.3
117.03477	1.6
119.05079	0.6
132.02184	21.6
133.03000	3.4
134.03758	24.8
135.04561	2.2
137.02417	0.7
137.09760	0.8
149.06105	2.4
160.01674	94.6
161.02286	3.2
161.04575	0.5
174.76527	0.3
175.04021	100.0
176.04362	2.4
178.02788	0.6
179.03523	1.5
189.12860	0.5
193.05075	26.3
197.54291	0.3
201.14926	0.4
221.04501	0.4
228.99771	0.4
247.66580	0.3
270.58069	0.4
336.58224	0.4
359.27963	1.0
383.70029	0.4
386.02039	0.4
485.30719	0.3
503.32358	6.7
521.33179	2.2
548.22687	0.7
563.25018	92.8
564.25482	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	563.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01385	16.8
71.01013	0.8
71.01380	5.9
71.42708	0.9
72.99315	1.2
73.02962	1.7
75.00852	0.6
83.01382	1.0
85.02959	3.3
89.02452	2.4
99.00889	0.6
101.02454	5.4
105.03524	0.8
113.02464	2.7
117.03479	1.6
119.03474	1.1
132.02187	21.8
132.03172	1.2
133.03004	4.6
134.03757	26.8
135.04546	6.7
137.02399	0.9
137.14677	0.6
149.06042	3.3
160.01675	93.5
161.02484	6.9
161.04543	1.1
175.04022	96.4
176.04379	2.1
178.02721	0.9
179.03551	3.8
193.05084	27.8
197.04570	1.8
201.14949	0.7
202.68982	0.7
207.14432	0.6
235.06177	1.2
286.01413	0.8
329.03119	1.3
339.05377	0.7
344.05499	1.5
359.07690	4.8
359.27957	1.3
466.15540	1.2
466.65762	0.9
503.11853	0.9
503.32178	5.0
521.33197	1.5
563.25012	100.0
564.25281	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	563.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.4
56.23510	0.6
57.03457	4.3
59.01387	100.0
61.98846	5.2
62.68605	0.6
69.03464	1.0
69.21919	1.6
69.22307	1.7
71.01391	19.9
72.99320	1.8
73.02954	7.6
74.65104	0.7
83.01403	6.1
85.02966	14.5
85.67787	0.5
86.00137	0.7
87.00883	1.4
87.03372	0.7
89.02466	3.3
93.07123	1.0
95.01402	2.7
97.02976	2.1
99.00920	3.1
101.02459	13.3
111.00902	2.3
112.01675	1.0
113.02466	7.6
115.04095	0.6
119.03560	0.8
121.02998	2.2
122.88705	0.6
124.01723	1.3
125.02457	2.4
127.11300	1.3
132.02197	3.7
133.02994	1.4
134.03748	4.2
135.04573	3.2
137.09738	2.8
143.03557	2.1
144.40543	0.7
145.02974	0.8
149.02463	0.9
153.12871	1.1
155.10773	3.8
155.14485	0.8
157.12402	1.9
159.03035	1.4
160.01688	13.5
161.02466	4.5
161.04573	3.5
162.01974	1.4
163.11339	0.7
175.02563	0.9
175.04036	15.1
179.03546	1.5
185.15540	1.0
191.02283	1.7
193.05092	2.4
201.15016	3.3
207.10297	0.9
208.13719	0.6
229.17992	3.7
230.15215	2.9
261.52365	0.6
293.21402	0.6
313.75012	0.8
315.18375	0.9
341.26978	1.4
347.20914	0.9
356.07706	1.6
359.28076	13.5
373.22327	4.4
384.07437	1.0
387.16614	10.7
388.16876	1.1
391.23334	5.2
402.08334	13.5
473.31586	1.6
503.32318	89.9
504.32657	4.4
521.25568	1.5
521.33374	31.3
522.33667	1.8
545.33380	1.0
563.24493	9.8
563.34039	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68974	0.4
55.01892	1.7
57.03454	4.6
57.03711	0.5
59.01388	98.9
60.01743	0.6
61.98839	6.0
63.81449	0.4
68.99829	0.6
69.03469	1.6
71.01394	19.2
71.05030	0.7
71.77373	0.5
72.99320	2.6
73.02953	7.4
75.09589	0.4
78.95934	0.9
83.01403	5.3
85.02968	12.5
87.00890	2.2
87.04562	0.5
89.02451	3.0
95.01400	2.6
97.02963	1.9
97.06636	1.4
99.00903	3.2
101.02459	14.7
109.02956	0.8
111.00903	2.6
111.08191	1.1
112.01715	1.1
113.02460	10.4
115.04014	0.7
117.03516	0.5
119.03542	1.2
119.05021	0.7
119.15711	0.5
121.02989	0.8
123.04517	1.0
123.08186	3.1
125.02477	2.3
127.11329	0.8
132.02209	1.3
133.02988	2.0
134.03766	2.6
135.04547	11.7
136.04910	0.9
137.09747	0.8
139.11327	0.8
141.09250	1.7
141.12834	0.8
143.03537	2.6
149.02516	1.1
151.04025	0.6
153.12843	0.6
155.10789	1.1
157.12387	1.3
159.03047	1.3
160.01665	6.1
161.02481	7.4
161.04510	3.5
161.05821	0.5
163.04018	1.1
164.04877	0.6
169.12364	1.8
171.13976	2.2
175.00375	0.8
175.04028	5.7
177.01912	0.6
179.03499	2.8
183.13921	0.9
185.02438	0.6
187.13406	3.9
190.02779	1.6
193.05121	1.3
197.04636	2.0
200.14192	1.2
201.14996	2.2
205.05058	2.4
216.13702	0.7
223.06235	1.0
230.15149	1.1
235.06125	0.6
253.09410	1.8
257.08273	0.7
315.18240	0.7
327.21793	4.0
341.27084	1.9
344.18500	1.1
357.26498	1.3
359.07785	0.7
359.28110	16.1
360.28311	0.9
362.19522	1.3
387.16608	1.1
402.08273	4.2
455.30289	1.9
473.31360	1.7
485.31213	1.1
501.30667	0.6
503.32333	100.0
504.32602	6.0
521.33374	38.5
522.33740	3.1
545.33490	2.7
563.24268	3.6
563.34290	1.5
564.34991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47840	2.3
69.22099	6.8
69.22511	8.3
72.50745	2.7
78.95913	23.1
111.70223	2.0
123.39410	2.3
133.03024	2.3
135.04501	3.2
142.99445	2.3
152.99660	5.4
161.02460	5.6
192.29385	2.3
224.07033	6.8
242.87256	3.0
245.04585	3.0
267.23245	2.8
281.24908	100.0
312.89691	3.3
375.12479	2.4
444.92456	2.7
461.84039	2.6
506.25031	4.2
506.32544	67.7
534.16321	2.6
552.99292	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	563.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96637	1.1
59.37040	1.0
69.17152	6.5
69.88232	1.2
78.95885	3.3
79.73354	1.1
98.22713	2.6
121.41535	1.3
133.02995	1.4
152.99597	3.7
161.02509	1.8
242.07910	2.3
267.42361	1.4
281.24896	100.0
282.25284	4.6
506.32596	35.6
507.32944	1.3
542.42828	1.2
579.47131	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91364	0.4
59.01385	9.1
61.98847	0.6
62.76554	0.4
71.01404	2.2
72.99323	5.6
73.02943	0.8
76.68840	0.4
77.63577	0.5
83.01373	0.5
85.02969	1.1
89.02448	1.1
93.03470	2.5
101.02464	1.4
113.02475	1.7
114.02789	0.6
115.06327	0.4
115.35630	0.4
119.03494	0.5
121.02983	13.4
121.03851	0.9
121.65367	0.4
123.04523	0.5
132.02194	0.6
133.03015	2.8
134.03696	0.9
135.04544	3.4
139.04025	4.4
147.00919	2.0
148.04022	0.6
149.01266	0.9
149.02444	8.1
149.21054	0.4
151.04010	0.6
160.01640	0.7
161.02478	4.7
162.01988	11.5
162.42374	0.5
163.02783	5.9
164.03596	0.6
174.01926	0.8
175.02812	4.5
175.04184	0.8
176.03476	1.1
178.05055	1.0
179.03491	1.0
184.23930	0.5
190.01489	3.8
190.05125	2.7
191.02269	11.2
192.03009	3.5
197.04628	0.6
206.04584	3.0
219.01729	1.1
222.93484	0.4
234.04123	2.6
237.02821	1.3
248.84892	0.4
252.05136	3.8
269.06842	0.6
281.06769	0.5
281.09549	1.0
285.06448	0.7
297.06339	1.1
298.06940	1.0
312.08813	1.8
313.05984	0.9
325.05887	0.6
326.06775	2.6
327.07404	0.9
328.08295	4.7
340.08353	4.1
356.03693	0.9
356.07819	13.0
357.08014	0.5
358.09329	3.5
359.27890	0.6
374.08926	1.4
384.07339	5.8
402.08328	100.0
403.08694	4.5
503.32019	2.6
504.32672	2.4
521.33453	1.3
522.33447	0.6
564.11932	0.9
564.20453	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	564.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19785	0.5
52.56811	0.5
55.01864	1.2
57.03439	2.2
59.01386	46.7
60.01717	1.6
61.98838	18.0
67.82672	0.5
69.03462	0.9
71.01018	0.8
71.01391	10.0
72.99323	5.3
73.02969	3.7
83.01384	2.9
85.02970	6.0
87.00868	1.3
89.02461	1.7
93.03448	1.7
93.07109	0.6
95.01430	1.3
96.96035	0.8
97.02963	1.2
98.21893	1.8
99.00883	1.6
101.02464	7.8
109.02948	0.7
111.00894	1.2
113.02467	4.7
114.02863	0.5
121.02979	11.9
123.04491	0.8
125.02428	1.6
132.02173	2.1
133.02919	2.8
134.03789	3.2
135.04546	6.4
136.04962	0.7
137.09801	1.2
139.04024	3.1
141.74287	0.5
145.02933	0.6
146.02405	0.5
147.00897	2.3
147.04485	0.5
149.01294	1.1
149.02448	8.6
149.06096	0.8
155.10750	0.9
159.02931	0.7
160.01671	10.1
161.02478	7.0
161.04567	1.7
161.28447	0.5
162.01967	8.4
163.02783	5.0
172.14226	0.5
175.02731	3.5
175.04028	10.1
176.03293	1.0
176.04619	0.8
179.03503	1.8
190.01523	3.6
190.05164	3.1
191.02254	9.5
192.03052	1.8
193.05087	2.2
197.04597	0.9
201.15007	1.6
206.04596	2.9
219.01758	0.9
220.02446	0.7
225.32724	0.5
229.18102	1.1
230.15208	0.7
230.18506	0.5
234.04103	3.0
237.02846	1.6
252.05038	3.2
268.06033	0.7
269.07034	0.5
282.07800	0.6
296.05603	0.8
297.06363	1.1
308.05591	0.9
310.07169	0.9
311.07965	0.5
312.08755	1.7
313.05899	0.6
326.06863	2.4
328.08350	3.7
340.08347	4.2
341.26923	0.7
356.07764	13.0
358.09418	3.2
359.28107	4.7
360.28604	1.2
373.22192	2.2
374.08917	1.7
374.96521	0.5
377.58939	0.5
384.07330	5.8
387.16614	1.8
388.16971	2.1
391.23465	1.5
402.08322	100.0
403.08740	3.8
473.31479	0.6
503.32300	27.7
504.32693	17.2
505.33551	1.7
518.12140	0.5
521.33374	11.0
522.33691	6.6
563.25024	1.8
563.34015	0.6
564.12512	0.7
564.24951	3.9
565.26642	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	564.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88763	0.5
51.59997	0.4
59.01385	23.1
60.01719	0.9
61.98838	100.0
69.33319	1.2
69.33730	1.6
71.01398	5.1
72.99324	2.3
73.02965	1.9
82.00085	0.6
82.95436	1.6
83.01401	0.9
85.02960	3.6
86.71468	0.5
89.02477	1.7
95.01366	0.5
99.00931	0.5
101.02470	3.2
108.02209	1.9
109.03001	2.8
113.02472	3.3
119.03540	0.6
119.05025	1.8
123.04554	1.0
132.02211	0.8
133.02995	1.6
134.03764	1.9
135.04559	5.8
136.04826	0.6
152.01204	2.2
153.01985	1.1
160.01689	4.5
161.02487	5.1
161.04555	1.0
162.01909	0.6
163.04066	1.5
173.17967	0.5
175.04033	4.2
176.04449	0.6
179.03577	1.7
179.86790	0.5
190.69106	0.5
193.05089	0.9
197.04643	1.2
235.06160	0.6
295.06415	0.7
315.07285	0.7
327.21771	0.6
359.28122	1.8
360.28424	0.9
387.16669	2.2
388.17160	1.9
402.08270	5.1
419.55508	0.6
501.14252	0.7
503.32379	8.9
504.32553	4.1
505.33682	1.1
521.33032	3.2
522.33813	1.4
563.25208	1.0
564.23999	1.6
565.19116	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	564.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	14.8
65.21038	11.6
71.42399	13.4
71.42733	13.3
75.00878	100.0
79.17886	12.0
83.99390	15.0
99.04577	23.9
101.32888	13.6
102.81735	13.9
113.12273	13.7
154.00952	12.9
161.02437	47.3
170.43146	14.3
179.03409	15.5
280.21506	15.2
487.34680	17.8
488.34698	55.4
564.27423	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0484
Annotation	UDP-Galactose
Peak:m/z	Relative Intensity
50.53373	0.6
52.99016	0.5
62.96402	1.2
69.79239	0.5
69.79569	1.8
73.76595	0.5
78.95914	100.0
91.89955	0.6
96.96973	31.5
111.02000	7.4
111.29823	0.5
120.96981	1.7
121.29640	0.6
138.98022	3.5
150.98041	2.5
158.92561	14.6
174.98042	0.9
176.93600	0.7
192.99091	1.4
211.00131	5.0
241.01207	10.1
266.60623	0.6
272.95706	3.9
280.02335	2.1
280.40396	0.5
305.01697	0.8
320.97797	2.3
323.02881	66.3
324.03232	1.9
384.98425	4.7
402.99567	1.3
564.96136	1.2
565.04858	21.5
566.05090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	21.1
60.48291	2.0
69.24442	2.5
69.27457	6.4
69.27840	4.5
71.01404	7.1
72.99313	10.0
80.33440	2.0
87.00909	5.3
89.02465	11.8
96.96032	2.8
98.21877	3.8
101.02470	5.9
108.02213	3.8
109.02966	100.0
113.02501	3.6
119.03481	3.5
121.02974	5.8
123.04548	5.0
127.72109	2.0
128.37955	2.3
133.02957	5.0
135.04541	22.8
137.02489	2.7
145.02945	5.8
147.04546	4.2
151.04015	7.6
153.48618	2.1
158.03810	2.6
159.04517	20.2
161.02469	4.0
161.09703	3.6
163.04066	11.2
167.60878	2.7
173.02469	2.7
177.05638	2.5
179.03528	11.4
179.05611	3.5
179.10774	11.8
181.05150	3.4
181.40578	2.3
185.02477	28.9
186.03291	5.2
197.04596	5.2
207.02954	2.7
221.06116	2.9
221.11961	3.0
223.09778	23.3
225.03970	18.8
239.07317	2.8
248.04730	2.3
249.05800	5.1
252.04323	3.2
264.48206	2.1
265.10800	5.9
266.05984	3.5
267.06638	8.2
269.08313	22.7
276.78497	2.1
277.05060	12.4
278.05872	2.4
279.02954	7.4
280.03702	6.2
295.06119	47.0
296.06686	2.7
313.07129	5.6
325.12924	5.9
339.05112	70.9
340.05582	4.2
403.16260	16.8
445.17175	4.4
505.19257	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	565.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.6
60.11171	0.4
63.95882	0.4
65.82800	0.4
71.01387	0.8
72.99303	1.8
80.63781	0.4
84.89532	0.4
91.01914	0.5
93.03465	0.8
95.26935	0.5
96.96013	0.7
98.22701	1.0
108.02172	3.1
109.02959	100.0
110.03316	1.6
115.06654	0.4
121.02932	2.2
123.04498	2.3
133.02954	1.7
134.03740	0.7
135.04538	7.8
137.02455	1.8
145.02983	2.5
146.03793	0.8
147.04529	4.1
148.01672	0.5
149.02438	7.8
158.03748	2.0
159.04529	35.1
160.04884	0.9
161.02464	2.8
164.04803	14.8
164.81866	0.5
173.02441	0.6
179.03532	4.1
179.07137	7.2
181.08760	0.9
185.02461	2.0
186.03278	0.9
197.04587	1.3
207.03012	1.3
237.05702	1.0
241.01411	0.5
249.05524	0.5
251.07278	0.7
253.04959	0.8
254.05832	2.6
267.06641	0.8
269.08197	45.9
270.08621	2.0
271.02570	0.5
277.05060	0.5
283.99548	0.7
285.00461	0.8
295.06131	2.7
300.02692	0.7
311.05472	0.6
313.07233	1.5
314.04010	0.5
315.05173	1.0
321.03918	0.9
323.05423	0.5
325.12958	1.9
339.05130	6.5
341.06573	1.2
343.13724	1.0
357.06277	0.5
385.05701	0.6
403.06738	0.8
403.16635	0.5
455.42664	0.5
487.20053	2.9
505.20779	3.5
523.21820	1.0
547.21832	0.7
565.23358	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	565.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75916	0.9
56.33752	0.9
59.01371	3.6
61.08728	1.1
61.98816	1.0
62.64765	1.1
63.23492	0.9
71.01387	2.3
72.99310	6.8
88.97076	1.0
93.03571	1.4
96.96014	6.8
101.02450	1.3
109.02976	7.1
113.02417	1.2
117.03466	1.1
117.86844	0.9
121.02931	1.3
123.04517	2.1
124.01647	2.0
125.02457	1.9
130.47929	0.9
133.02997	6.4
135.04541	24.2
137.02411	2.5
140.67731	0.9
145.02972	1.3
146.03781	1.3
147.04503	2.1
149.02415	1.9
151.03973	2.4
153.07098	1.3
158.03780	1.3
159.04509	3.6
161.02458	22.6
163.03989	1.2
167.03508	2.8
167.05002	1.0
169.06610	1.8
174.03325	1.2
175.04057	4.6
176.74974	1.1
177.01971	1.6
179.03522	11.1
180.05748	1.8
181.06575	3.2
183.04477	1.7
183.08167	1.0
185.02359	1.5
191.03537	2.3
193.06598	3.6
195.04649	1.2
196.05286	2.6
197.04509	3.6
197.06125	4.1
199.03859	1.0
199.07542	1.3
207.02872	1.3
208.05318	3.3
209.06110	15.4
210.06812	6.3
211.03963	2.1
211.07738	1.3
221.06081	1.4
224.04825	1.9
225.05595	9.1
225.09145	3.1
226.06326	4.4
227.03502	1.4
227.07037	1.5
228.07640	1.1
235.04086	1.8
236.04692	2.2
237.05580	12.6
239.03490	2.0
239.07248	1.5
240.04332	1.4
241.05193	1.3
241.08598	1.4
249.05450	1.1
252.04224	1.3
253.05045	11.2
254.05859	5.5
255.02875	2.1
255.06784	1.2
256.03842	1.3
257.04965	1.1
257.08142	1.5
263.03482	2.3
264.04218	2.9
265.04993	6.9
267.02985	1.6
267.06601	2.2
269.04575	4.2
269.08148	7.3
270.05460	1.2
271.06110	1.2
279.02902	1.8
280.03665	3.4
281.04547	15.1
282.05316	7.9
283.06107	4.4
285.07596	3.3
293.04553	1.5
295.06094	6.9
297.04050	5.7
297.07425	2.4
298.04779	1.5
299.05566	2.8
301.07126	2.7
309.04083	15.9
311.05603	7.4
313.07214	17.9
314.04358	4.8
321.04065	3.0
323.05585	7.4
324.06366	9.3
325.03589	1.9
326.04291	3.5
327.05066	6.5
329.06720	11.6
339.05048	4.5
340.05853	7.8
341.06680	100.0
342.06964	2.8
343.04465	1.7
357.06235	20.2
359.07675	2.7
367.04572	3.3
371.04095	4.9
375.07269	1.4
385.05698	22.3
403.06686	33.4
429.61008	1.1
533.07117	7.5
547.08923	1.7
565.09888	36.2
566.10168	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	565.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	4.4
69.73181	2.1
69.73499	4.5
83.01429	1.9
108.02188	3.9
109.02966	91.4
121.02972	10.9
123.04562	2.4
133.02962	4.8
135.04527	11.1
137.02487	22.5
147.04529	6.4
148.81358	2.0
159.04509	3.5
160.54710	1.8
161.02449	7.3
163.00331	2.3
163.03963	2.1
164.01195	3.3
165.01944	100.0
171.04468	3.4
175.03970	3.0
179.03487	7.5
185.06183	2.4
189.01965	5.9
189.05603	5.0
213.05733	2.4
215.03442	2.5
247.99866	2.0
257.04596	20.9
269.08118	2.0
275.05652	18.1
295.06192	4.6
351.07309	5.4
461.10928	31.8
479.12106	6.5
521.13135	17.9
569.51910	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	565.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68550	0.6
55.01866	0.7
57.03438	1.5
59.01386	46.5
60.01711	2.6
61.98842	1.7
71.01388	11.6
72.99319	17.4
73.02956	4.5
83.01405	2.1
85.02953	6.9
87.00909	1.4
89.02470	1.5
91.05542	1.0
96.95998	0.7
99.00925	1.3
101.02463	6.6
102.02857	0.7
107.05031	3.0
108.02191	12.0
109.02975	3.3
111.00904	1.1
113.02469	5.4
117.03484	1.3
119.03520	0.9
121.10255	1.3
123.04535	14.8
125.02462	1.2
132.02180	3.0
133.03050	3.6
134.03760	14.4
134.06126	1.3
135.04544	100.0
136.01627	1.3
136.04863	4.4
143.03511	1.0
147.04509	0.7
151.04039	2.2
153.01912	0.9
155.05069	3.9
155.10811	0.9
157.02927	1.7
159.03098	1.0
159.04475	0.9
160.01671	17.5
161.02457	8.7
161.04623	2.1
162.02135	0.6
162.02821	0.6
171.04536	2.4
175.04025	16.7
176.04402	3.3
179.03525	14.4
185.02460	12.8
186.03210	1.8
193.05090	4.0
194.05458	0.7
197.04561	13.1
199.04025	17.8
201.15002	1.2
202.15279	1.6
203.03546	1.1
217.05075	1.7
219.04572	0.9
235.04031	1.2
236.04878	1.2
237.05653	0.8
239.73401	0.7
242.08336	2.0
247.04092	1.4
248.04860	2.8
249.05721	1.0
251.03542	0.9
264.04318	3.0
265.05063	3.2
275.03531	1.7
276.04297	2.0
277.04977	1.6
279.03003	1.3
287.22366	2.6
291.03079	2.2
291.06537	0.9
292.03732	4.9
293.04562	5.7
294.05182	1.4
304.03870	1.1
307.06168	3.0
308.06836	3.2
309.07666	5.2
320.03372	5.0
323.05896	0.9
323.09308	3.9
335.05624	28.6
339.05444	0.8
341.06442	1.2
353.06708	16.7
359.28055	0.8
360.28311	3.5
361.29318	1.9
367.08264	16.0
385.09460	0.9
387.16544	1.8
393.66714	0.8
403.07541	0.9
431.26538	6.2
449.27396	2.1
473.27686	1.0
491.28653	2.0
503.32111	1.8
504.32635	18.4
505.33203	10.7
522.33594	6.1
523.34320	3.2
533.10840	4.2
564.25537	4.6
564.34314	1.1
565.26361	16.5
582.98785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.7
71.01407	3.8
72.86029	1.9
72.99328	2.9
87.00889	100.0
93.02869	3.9
93.03472	80.8
96.26377	1.8
96.96028	5.0
108.02229	3.0
109.02979	8.8
117.03487	6.2
119.05045	3.2
121.02982	5.0
123.04572	5.1
133.02927	6.9
135.04532	14.4
136.01663	2.4
137.02460	46.0
145.02956	33.5
146.03766	9.8
147.04527	11.4
149.02454	4.8
151.04015	37.9
159.04488	3.2
161.02464	37.3
162.03256	43.1
163.04033	94.1
165.05603	2.9
176.88205	2.2
177.04060	3.7
177.05577	56.0
179.03523	92.3
180.04137	3.2
195.06703	6.0
205.05066	4.9
207.03024	2.5
219.06595	2.7
239.05707	13.1
253.43756	2.5
261.80496	2.0
269.08218	3.4
270.87204	2.1
295.06204	5.9
322.09930	2.3
339.05179	6.7
459.13141	4.8
477.14023	18.4
547.14655	9.3
565.07556	3.9
565.15723	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.6
69.07700	0.2
71.01389	0.5
72.43203	0.3
72.99285	0.3
73.02955	0.4
75.97244	0.3
99.04534	0.7
99.92603	6.7
100.93377	38.8
101.93394	1.0
113.92640	0.3
115.92093	100.0
116.92099	2.4
116.92882	3.0
117.93719	0.3
132.92383	0.9
133.02998	0.3
134.06102	0.3
135.04539	1.1
161.02464	0.8
164.44742	0.3
199.97856	0.4
212.35397	0.3
221.99908	0.5
255.72827	0.3
283.02914	0.5
287.80511	0.2
319.02737	0.6
329.04852	0.4
347.05988	1.7
358.15759	0.5
365.07098	0.8
379.04953	0.4
396.56851	0.3
505.34088	0.8
547.17059	0.7
565.17273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1931
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.26847	1.3
69.40781	7.6
71.01371	2.1
72.99302	1.3
78.15124	1.3
78.96664	1.3
92.34137	1.4
96.36592	1.4
96.95995	1.3
109.02918	3.0
121.02973	3.2
124.01633	4.5
124.19012	1.4
134.03729	3.9
135.04520	5.6
136.01695	2.8
137.02400	2.1
139.04024	39.6
146.03757	6.6
147.04527	2.0
149.02426	2.4
149.06079	2.0
150.03224	1.6
151.00351	4.5
151.04054	2.9
153.01961	1.7
153.05585	5.5
160.01598	1.4
161.02426	5.7
161.06110	2.1
162.03127	1.7
163.00331	7.6
163.51784	1.3
164.04831	7.3
165.01956	7.0
166.02744	16.9
175.03951	2.2
177.05510	1.7
178.02728	10.8
179.03523	3.3
179.07144	20.5
181.01555	9.1
181.05095	24.3
183.06613	3.3
193.01436	6.4
193.05092	24.5
194.05862	2.0
195.02936	2.7
195.06575	2.1
196.03787	31.3
197.04530	5.9
207.03017	2.6
208.03801	2.9
211.06137	100.0
212.06506	2.1
222.05409	2.2
223.06137	19.3
237.07617	2.0
241.04959	2.1
241.07188	16.9
269.04538	2.6
277.73953	1.5
284.06873	8.6
285.07855	3.1
298.08420	1.9
299.09198	15.3
300.09924	4.3
301.10782	1.5
313.07312	2.6
314.11481	4.0
315.12332	3.2
328.09589	4.3
340.09363	2.1
343.08170	3.1
343.11789	7.9
358.10388	4.5
373.12958	59.9
374.13309	3.5
385.12994	3.1
390.22574	1.6
403.14041	73.6
404.14407	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.4
62.84387	1.2
64.32809	1.4
67.85277	1.1
72.99306	2.1
93.93850	1.4
107.12765	1.3
109.02968	1.6
121.02982	2.1
122.03763	1.8
123.04554	4.0
133.02991	3.6
134.03764	6.3
135.04587	7.1
136.01639	2.8
137.02469	2.6
139.04034	4.0
146.03712	5.5
147.04570	1.8
149.02414	3.6
149.06082	4.9
150.03319	2.9
151.04066	1.7
153.01884	1.5
153.05591	1.7
159.04529	1.6
160.01643	1.8
161.02463	16.0
161.06038	2.4
162.03146	3.9
163.00371	20.3
164.04788	4.4
165.01881	3.4
165.05566	2.0
166.02640	2.3
167.03520	1.9
174.35905	1.2
175.04089	2.3
175.07526	1.3
177.01981	1.6
177.05646	1.9
178.01184	1.9
178.02736	32.0
179.03506	10.3
179.07126	12.4
180.04306	1.5
183.06624	9.6
183.49283	1.1
193.01416	5.1
193.05081	50.9
194.05743	2.8
195.06642	2.9
196.03783	3.1
197.04417	1.4
207.02940	3.9
208.03728	4.1
211.06134	9.9
222.05295	3.4
223.06142	17.1
237.07649	5.9
241.05029	1.9
241.07220	14.6
260.25845	1.3
269.04498	4.3
270.05432	1.8
283.05969	1.8
284.06955	13.3
285.07602	5.7
295.05997	1.4
297.07761	3.9
298.08539	2.3
299.09302	23.1
300.10056	8.7
310.04507	2.0
311.09341	1.6
313.07172	4.1
313.10864	3.3
314.11829	7.7
315.12360	5.2
328.09460	5.3
340.09485	2.7
343.08212	3.4
343.11874	11.9
355.12143	1.9
358.10645	8.7
359.07584	2.1
359.15015	5.4
361.16522	3.7
373.12949	100.0
374.13251	4.4
403.13992	77.2
404.14227	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	565.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39845	0.5
55.01871	0.5
56.50315	0.4
57.03452	2.0
59.01081	1.0
59.01386	19.6
61.66862	0.4
61.98840	7.2
66.56956	0.5
69.03447	0.6
71.01382	6.4
72.99321	1.5
73.02956	2.7
81.03464	1.7
83.01395	1.4
83.05019	0.6
84.56181	0.5
85.02962	3.8
87.00889	1.1
89.02463	1.4
93.03476	1.0
95.01404	0.9
97.06586	0.5
99.00925	0.7
101.02439	3.9
101.24535	0.4
107.05047	1.0
108.02187	58.6
109.02968	41.2
110.03308	0.6
113.02484	3.4
119.03529	0.6
120.05859	0.5
121.02969	1.1
123.00829	0.6
123.04514	1.9
132.02170	1.3
133.02945	1.6
134.03711	1.7
135.04556	6.9
136.04922	0.8
149.06067	0.5
151.04034	1.9
152.01170	69.7
153.01961	23.4
153.02913	0.3
160.01662	3.0
161.02472	4.7
161.04601	1.5
161.09749	2.2
161.13353	1.0
163.04071	1.8
163.11357	1.0
165.01959	1.7
175.04042	3.0
176.04446	1.1
177.04526	0.6
179.03510	1.8
181.05016	0.7
187.11287	2.7
189.09218	2.1
193.05110	1.5
197.04581	1.4
203.10698	0.6
205.12343	1.6
207.10254	1.4
223.56047	0.5
249.11487	0.9
309.03973	0.6
315.07269	25.6
316.07828	0.8
361.29422	1.4
383.37347	0.5
387.16501	1.7
388.16971	3.5
389.17307	4.7
423.60449	0.6
503.19528	3.0
504.32660	1.0
505.17587	3.3
505.26840	0.8
505.33850	9.3
515.46161	0.6
521.20404	4.4
523.34943	3.1
547.18365	1.3
565.19293	100.0
566.19727	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	565.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09198	0.9
55.01879	1.1
57.03443	3.8
59.01385	55.3
61.98816	0.9
71.01386	27.4
72.99311	3.2
73.02963	1.8
74.61636	0.8
79.28449	0.9
83.01386	1.9
85.02966	6.7
87.00888	1.4
89.02454	28.2
95.01390	2.5
97.03001	1.0
99.04528	6.1
101.01794	1.4
101.02447	12.5
102.44304	0.8
106.85203	0.8
111.04549	0.9
113.02457	12.2
116.24376	0.9
119.03526	10.5
124.05296	1.4
133.02951	2.6
133.10196	1.4
133.21111	0.8
135.04549	7.0
135.11838	5.9
143.03622	1.8
161.02460	4.8
161.04492	4.7
161.09731	9.5
165.01932	1.7
173.42160	0.9
179.03607	2.1
179.05606	7.9
179.10785	43.1
194.09682	0.9
197.04674	1.1
203.10776	1.8
205.08704	2.1
223.09769	100.0
224.10165	1.9
265.10767	3.4
295.06256	1.0
313.10803	1.4
325.12872	1.2
359.17081	1.6
385.15057	14.7
403.16129	62.5
404.16388	2.9
565.21460	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	565.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	88.4
70.58914	8.3
71.01385	41.2
72.99307	7.6
73.02947	6.3
78.35617	3.6
85.02960	10.0
87.00897	8.6
89.02461	48.8
93.03468	8.1
96.96033	22.2
98.68819	4.0
99.04513	20.8
101.02467	24.9
105.03522	3.7
109.02401	3.1
109.02994	32.2
113.02451	17.1
114.38837	3.7
115.92117	8.0
116.92890	26.2
119.03506	17.7
121.02956	13.8
133.02986	10.4
135.04556	35.8
135.11874	4.9
137.02438	5.6
143.03468	4.4
145.02968	5.3
151.04025	5.4
153.20628	4.2
159.04498	5.6
161.02466	8.0
161.04538	4.2
161.09744	17.8
163.04015	6.4
179.03488	21.9
179.05641	9.3
179.10805	46.9
179.23390	4.0
185.02483	9.7
187.30542	4.2
210.10245	4.5
222.90341	3.9
223.09772	100.0
249.05397	4.1
255.48877	4.7
265.10812	33.4
267.06534	4.2
269.08185	12.2
280.03647	4.7
295.06229	28.1
295.11798	8.5
325.12979	28.5
339.05267	21.1
385.15057	7.4
403.16095	65.9
440.57230	4.0
445.17188	18.8
472.57651	4.2
475.18295	9.3
505.19318	58.1
563.96631	4.9
565.21973	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	565.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
59.01388	8.6
60.33949	0.3
67.23831	0.3
70.10503	0.3
71.01396	2.2
71.04644	0.2
72.99310	0.4
73.02955	0.8
79.97236	0.3
81.51752	0.3
85.02975	1.5
89.02409	0.3
89.39391	0.3
91.91477	0.3
94.06049	0.3
95.01408	0.5
95.05028	0.6
95.37445	0.3
98.22681	0.8
99.04536	0.5
100.30357	0.3
101.02458	1.5
105.03468	1.0
107.05031	0.3
109.02969	3.2
113.02474	1.1
117.03503	1.3
121.02938	0.4
122.03791	0.3
123.04529	0.8
132.02176	2.1
133.02977	37.4
134.03763	0.9
135.04538	10.2
137.02443	0.8
139.03989	0.7
145.02922	0.4
147.04497	0.6
148.01732	0.8
150.03246	3.4
159.04514	1.0
160.01773	0.3
161.02463	100.0
162.02760	2.3
163.04031	0.3
165.05580	9.0
170.58054	0.3
177.02011	0.9
179.03523	6.2
189.77060	0.3
203.03462	0.5
207.03088	1.5
213.07620	0.5
220.03491	0.3
222.03227	0.3
225.04028	0.4
235.03990	0.3
269.08273	1.3
303.78131	0.3
335.97195	0.3
341.06772	0.5
367.04294	0.4
385.05646	0.4
465.53287	0.3
548.43481	0.3
565.22968	69.2
566.23267	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	565.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30228	1.2
57.03450	1.1
59.01380	9.7
69.37610	5.9
69.44854	1.5
71.01389	6.5
72.99299	2.6
73.02949	2.1
77.03977	4.4
83.05025	2.7
85.02950	3.0
89.02453	4.2
89.03979	2.4
95.05032	6.8
95.13788	1.3
101.02460	4.1
105.03467	23.7
107.30927	1.4
109.02959	1.9
113.02457	6.4
123.04506	2.6
133.02969	100.0
134.03328	2.0
135.04510	2.5
161.02444	8.6
161.04521	4.0
165.01918	1.3
177.01944	49.7
177.03477	2.8
179.05661	2.7
194.68878	1.2
197.04524	2.5
241.82669	1.6
244.85861	1.4
279.08438	6.7
299.14981	1.3
303.51541	1.4
323.07285	4.2
325.05392	1.8
359.07724	2.1
367.06375	4.3
374.33371	1.3
403.19781	1.7
565.11835	2.5
565.24988	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	565.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02396	1.2
55.01895	1.6
55.86460	1.0
56.48664	1.2
58.48928	1.1
59.01382	20.3
67.38962	1.3
71.01386	14.2
72.99312	4.2
73.02956	5.1
77.03972	3.9
83.01376	1.9
83.05035	6.6
85.02966	5.7
89.02458	7.3
91.44332	1.2
95.01396	1.7
95.05032	7.7
99.00900	1.7
101.02467	13.3
102.25309	1.3
105.03471	21.2
109.02930	1.6
113.02471	10.9
115.88004	1.3
119.03483	4.1
123.04547	3.9
123.08164	1.4
128.11630	1.3
132.02200	1.5
133.02971	100.0
135.04523	2.3
143.03532	2.9
143.04614	1.4
161.02448	12.6
161.04550	6.6
165.01924	2.4
167.10744	2.5
177.01953	49.0
177.03310	1.9
179.03476	2.9
179.05684	3.5
197.04572	4.0
241.14600	1.6
279.08453	5.1
323.07013	5.9
325.05447	1.6
359.07703	6.0
367.06409	4.5
403.19711	4.3
527.78253	1.3
547.10950	2.6
565.24957	36.7
566.25360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03458	1.7
59.01387	30.4
61.98835	1.1
69.03464	0.8
71.01394	10.0
73.02946	3.5
83.01403	2.3
85.02949	5.0
87.00902	0.9
88.98800	1.5
89.02457	0.7
92.42915	0.6
95.01395	1.4
99.00906	1.3
101.02453	7.0
109.02974	1.1
111.00936	1.0
112.79026	0.7
113.02460	5.7
117.03471	2.0
125.02482	1.1
132.02194	16.8
133.02956	2.4
134.03766	21.4
135.04510	2.4
137.02397	0.8
149.06131	3.3
153.01865	0.9
160.01680	78.7
161.02380	3.2
161.04599	0.8
171.13927	1.4
175.04031	99.2
176.04376	2.2
179.03558	2.0
182.02193	0.7
193.05096	19.1
197.04639	1.3
201.14964	1.7
221.04597	0.8
359.84912	0.7
361.29669	4.8
389.17279	1.1
416.68665	0.7
505.33868	41.2
506.33813	1.6
510.98972	0.6
523.34760	9.9
565.26660	100.0
566.27155	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	566.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76072	0.2
59.01367	0.1
61.98836	100.0
98.21889	0.3
118.18954	0.1
127.62416	0.2
148.55408	0.2
179.05713	0.3
566.16064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43971	0.7
53.77746	0.8
54.77022	0.6
59.01360	0.9
61.98836	100.0
72.99313	0.7
113.83373	0.7
115.92097	1.0
116.92874	5.6
179.40439	0.7
298.05951	0.7
517.92987	0.7
567.30127	1.0
576.72717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.8
60.79376	2.1
61.98840	4.1
63.55988	2.3
66.69311	2.3
69.25823	4.7
69.26232	12.3
71.01374	11.4
72.05022	2.0
73.02931	3.1
75.00864	4.5
83.01398	7.2
85.02966	5.1
85.70717	2.3
87.00889	17.0
98.21896	5.4
99.65554	2.8
109.02988	15.7
111.00845	11.8
113.99587	5.9
115.00389	48.9
117.62649	2.3
123.04514	3.7
125.02483	2.9
135.04550	12.7
137.02492	2.3
139.00400	14.0
139.03966	2.6
147.04553	3.0
149.02451	8.2
155.03580	2.7
156.00700	13.6
157.01448	32.0
161.02417	11.2
163.04027	4.7
174.01724	26.1
174.03154	4.3
175.02493	47.1
177.01976	2.4
179.03520	4.2
187.59512	2.5
191.03526	9.5
193.05054	38.5
201.01973	3.7
205.05032	5.7
206.02194	5.8
207.06650	18.6
223.06094	3.9
233.04526	26.1
234.05315	12.7
247.06079	4.7
251.05556	6.9
263.05774	2.8
275.05615	7.3
279.05142	3.7
279.08649	3.0
281.06296	2.7
289.07129	7.7
301.05066	3.2
307.08261	100.0
309.06067	6.4
355.10336	3.2
451.12708	5.5
469.13626	53.8
471.11505	27.5
495.11218	6.3
500.14719	2.7
504.14606	2.9
513.12469	37.2
528.82593	2.5
531.13525	5.1
567.11096	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	567.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
65.03946	1.0
65.44576	1.1
70.12419	0.9
70.27187	1.8
71.01396	1.3
72.99322	7.0
79.30734	1.0
85.73286	1.0
90.98492	1.2
91.78783	1.0
93.03461	4.7
99.00887	1.5
101.02448	1.3
105.03456	1.5
107.05037	1.1
108.02200	2.1
109.02966	14.0
117.03470	1.7
119.05081	1.4
121.02985	24.7
123.04559	5.8
124.01672	2.9
130.44434	1.2
133.02991	14.5
134.03798	3.8
135.04553	56.4
137.02475	11.7
138.03264	4.2
145.02959	4.6
147.04546	4.0
149.02446	4.1
150.03250	8.5
151.04039	12.9
158.03760	1.4
159.04538	4.5
159.08665	1.1
161.02473	32.4
161.03740	2.1
162.02890	1.0
163.03975	1.5
165.01941	1.1
165.05579	2.1
166.02754	2.8
173.02469	15.4
174.03166	1.9
175.04022	2.0
177.02007	3.4
179.03517	55.4
180.03816	1.9
181.05115	6.8
185.02470	4.5
186.03258	2.4
195.02972	9.6
197.04559	2.6
197.06142	1.7
203.03508	2.1
209.04558	2.8
212.03210	1.4
213.09169	1.9
221.06073	1.5
223.07736	1.7
225.05583	1.1
227.05650	3.2
239.07187	1.9
248.04796	1.9
249.05588	4.4
251.05417	1.3
265.05035	2.1
267.06650	6.4
269.08163	8.7
277.05115	3.9
285.15051	3.9
293.04526	2.9
294.05276	2.0
295.06149	100.0
296.06445	4.1
313.07120	7.1
315.15897	1.9
325.07190	6.8
343.08365	5.0
345.16922	3.6
363.18188	11.6
372.01138	1.2
387.07343	2.2
389.08774	2.5
523.12482	3.3
528.49561	1.1
549.16077	2.4
567.24390	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	567.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88753	0.9
60.16967	0.9
72.99297	2.1
81.03432	1.3
96.96027	1.0
98.22678	2.5
108.02152	2.6
109.02962	73.2
110.03345	1.7
121.02940	1.6
123.04546	2.7
124.42970	0.9
135.04553	4.7
137.02443	3.2
145.02980	2.6
147.04524	3.1
149.02448	4.3
151.03967	3.1
159.04517	7.9
161.02467	1.4
173.02480	2.0
174.03261	1.5
175.03990	1.1
179.03543	1.9
185.02460	35.6
185.04121	2.1
186.03238	10.9
193.06592	1.0
195.02992	3.2
196.05394	1.2
197.04424	1.8
208.05257	2.8
209.06084	3.3
211.07668	1.5
219.04509	1.0
221.06007	3.6
222.06879	1.1
223.03992	1.1
223.07568	1.8
224.04836	3.3
225.05548	5.9
233.05840	1.0
236.04701	2.3
238.06215	1.1
239.07126	4.3
248.04832	1.4
249.05653	7.2
250.06271	2.3
251.03476	3.5
251.07091	2.6
252.04277	5.8
265.05032	2.4
266.05804	3.1
267.06680	9.5
269.08221	5.0
276.04211	1.7
277.05057	13.6
278.05695	1.5
279.03033	14.2
280.03729	12.8
291.22940	0.9
293.04556	4.3
294.05334	1.6
295.06125	64.7
296.06308	2.5
309.04196	1.1
321.03970	2.0
325.07043	1.5
339.05112	100.0
340.05533	4.6
369.05917	3.2
419.63647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02744	1.2
52.32666	1.3
59.01380	1.8
66.79987	1.1
69.18382	1.0
71.01392	2.3
72.99306	5.3
73.02958	1.3
74.42491	1.2
85.02944	1.5
93.03468	41.9
96.96021	3.8
99.00873	1.5
101.02457	1.1
103.26418	1.1
108.02189	40.9
108.02921	2.5
109.02966	16.4
113.93529	1.4
121.02959	1.7
123.04519	2.7
133.02943	3.1
135.04547	13.3
137.02461	61.4
151.04005	2.1
152.01169	79.2
153.01918	3.7
160.40811	1.2
161.02460	4.4
161.04576	1.2
163.04053	3.1
179.03549	3.9
185.02463	2.7
188.65335	1.3
197.04541	2.0
201.30283	1.2
253.04675	2.7
253.07158	1.6
256.03815	1.3
295.06000	1.7
321.04141	2.0
339.05078	1.9
429.10339	6.4
447.11392	15.0
511.16605	1.2
567.13593	100.0
568.14209	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	567.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
65.12997	0.4
72.31778	0.4
72.99316	19.3
77.03948	0.5
92.20773	0.4
93.03461	0.4
95.05055	0.9
96.95992	0.4
105.03471	1.1
107.05038	1.5
108.02190	3.0
109.02962	1.9
121.02956	1.5
122.03766	0.8
123.04537	15.3
132.02220	2.6
133.02971	33.0
134.03790	4.7
135.04541	26.8
136.04880	0.6
137.02435	0.9
147.04521	0.6
149.02464	1.5
150.03226	1.1
151.04025	17.4
151.05249	0.9
159.04533	0.8
160.01715	2.1
161.02460	100.0
162.02827	2.2
165.05522	0.7
174.03261	0.5
175.04054	1.9
176.04724	0.6
177.01949	1.8
178.02730	3.6
179.03508	13.7
179.07094	0.6
180.04213	1.0
185.02458	1.7
187.04103	0.9
191.07188	0.6
193.05000	0.5
194.05829	0.5
195.03021	0.9
195.06709	2.1
197.04565	7.8
198.14424	0.4
201.05551	0.8
209.06308	0.5
209.08163	0.8
211.06091	4.7
212.93721	0.3
213.01920	2.7
221.04547	0.9
224.04720	0.5
225.05641	0.9
229.17773	0.5
235.03925	0.6
237.05627	1.0
245.04584	4.3
250.68126	0.5
251.07173	0.4
252.04337	1.3
253.05052	2.7
263.03378	0.7
266.05807	0.5
267.06619	1.0
274.04901	0.4
277.05048	0.9
278.05997	0.5
281.04562	4.7
293.04727	0.5
294.05289	0.8
295.06143	1.4
296.06943	0.8
309.07779	1.2
311.09293	0.8
337.07129	5.8
357.06137	0.7
359.07736	0.5
369.09811	45.5
370.10156	2.8
373.09613	0.5
375.10980	0.9
387.10938	5.2
405.11929	14.0
406.12408	0.6
493.90247	0.5
514.88507	0.5
567.15002	1.9
567.23096	0.4
577.87598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30739	1.4
59.01380	1.7
69.65877	3.0
69.66275	2.8
70.15982	1.2
72.99314	11.3
79.53883	1.2
96.96027	7.2
100.32048	1.3
105.03496	3.1
107.04997	2.4
109.02969	11.7
114.93441	1.3
117.03424	1.6
118.43879	1.5
121.02945	1.8
123.04549	6.4
132.02193	10.7
133.02971	36.5
134.03787	13.1
135.04544	100.0
136.04874	2.8
137.02470	3.0
147.04550	6.0
149.02435	2.3
151.04024	9.8
159.04533	4.3
160.01694	27.3
161.02464	90.2
162.02895	1.9
174.03215	1.5
177.01941	15.0
177.05537	2.3
178.02687	5.5
179.03514	39.8
185.02502	2.6
187.01166	1.5
197.04591	5.6
217.14561	1.5
221.04517	9.9
269.08383	1.5
287.69901	1.5
295.06274	3.1
313.07233	3.2
322.04303	2.0
357.06216	4.9
369.05447	2.3
369.09836	31.5
387.10873	3.0
391.15045	1.5
470.90515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57280	0.4
56.67121	0.5
59.01388	1.1
61.98827	0.9
69.50835	1.0
69.51220	1.2
71.76349	0.5
84.93899	1.4
99.00920	0.9
99.92596	12.7
100.93375	7.7
114.94925	0.6
115.92091	17.0
116.92876	100.0
117.92881	2.1
117.93626	0.6
135.04584	1.0
142.94469	1.0
156.92358	0.6
158.93924	0.7
161.02449	0.6
173.92609	0.6
175.75974	0.5
184.91870	1.3
186.93506	0.6
189.15175	0.5
234.77576	0.5
254.24445	0.5
303.10550	0.7
463.14410	3.6
481.15359	4.0
493.15543	1.0
505.15317	1.3
523.16473	5.3
523.30951	0.8
531.13605	1.1
567.15533	13.5
567.29205	3.1
568.15710	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1725
Annotation	Caudatoside E
Peak:m/z	Relative Intensity
59.01386	6.2
71.01384	2.7
72.99305	1.6
73.02956	0.5
75.00885	0.6
84.31476	0.4
85.02966	0.6
87.00900	0.8
89.02465	1.2
89.03967	0.7
93.03479	0.4
97.03076	0.4
101.02438	1.1
103.01517	1.2
105.03435	1.1
109.02957	2.5
110.66161	0.4
113.02437	1.0
117.03503	1.5
121.02983	2.0
123.00807	0.6
123.04520	0.9
132.02245	2.8
133.02974	37.3
134.03806	3.2
135.04543	25.3
136.01711	0.6
136.14946	0.5
137.02458	2.3
139.04115	0.5
145.02979	0.4
147.04527	1.1
149.02467	3.5
149.06102	3.1
150.03223	1.6
150.15962	0.5
151.04036	1.6
159.04483	1.0
160.01685	1.0
161.02461	100.0
162.02852	1.5
173.02399	2.4
175.04024	3.7
177.00479	0.8
177.01967	14.2
177.05560	5.3
178.02751	4.7
179.03520	24.0
180.04034	0.5
181.05182	0.6
185.02443	0.6
186.02965	0.6
192.04292	4.1
193.05070	7.1
194.02144	0.6
194.05385	0.5
194.80203	0.4
195.02914	1.1
197.04547	1.0
203.03554	1.4
207.06583	0.6
209.04538	1.1
210.05269	0.5
221.04539	6.8
225.07744	1.6
235.06169	2.9
249.05539	0.7
251.05598	6.6
265.07242	1.1
269.08292	0.6
281.06659	10.3
294.05038	0.5
295.05829	5.8
295.09061	0.7
303.53531	0.4
313.07187	0.6
315.16003	0.5
325.07138	2.8
341.08615	3.4
345.17072	1.1
355.10358	0.8
363.18146	2.0
373.11411	1.5
549.16168	37.9
550.16644	1.7
567.17090	9.7
567.24646	1.7
568.17566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.36245	2.2
55.98309	2.1
59.01384	100.0
71.01389	63.3
71.97745	2.7
72.99310	5.3
73.02956	4.4
75.00483	3.4
75.00882	46.1
85.02959	13.0
87.00887	11.5
89.01937	4.2
89.02457	52.6
95.01400	3.4
96.96024	5.7
99.00830	3.0
100.13038	2.1
101.02458	27.7
106.05714	2.6
106.74527	2.7
108.02182	10.0
109.02934	7.2
113.02468	19.3
119.03532	20.4
123.04510	6.3
129.01988	7.9
131.03473	2.9
134.03732	4.1
135.04546	39.3
137.02435	5.0
138.69368	2.2
147.04507	3.0
149.97403	2.8
150.03300	2.5
151.04056	14.4
152.01195	12.3
161.02452	5.9
161.04559	2.8
163.04100	2.9
165.05557	3.0
166.02568	2.8
166.06352	7.1
174.03160	3.5
175.04030	6.7
176.01180	2.5
177.01857	4.4
178.02676	9.1
179.03491	7.8
179.05676	4.8
179.07133	4.3
181.05080	3.9
190.02663	3.4
191.03506	20.1
192.04193	3.8
193.05049	10.5
203.03494	22.0
205.05049	3.0
206.05908	17.9
207.01205	2.5
208.03743	2.9
209.04520	3.1
209.08203	5.6
217.05070	7.7
218.05870	4.1
219.04926	5.1
221.08203	37.3
223.06161	4.0
233.08189	22.3
237.06161	19.7
251.09341	20.0
284.06583	2.9
299.05814	3.1
299.09247	6.9
311.60574	2.5
317.10352	3.7
327.08618	14.8
332.12747	6.0
342.11053	10.2
347.15076	32.4
357.13492	24.7
375.14429	16.4
386.12244	23.2
387.14560	48.8
405.15616	15.1
478.49481	2.9
537.04584	2.7
567.13251	8.6
567.21051	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	567.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24551	0.8
55.01861	1.1
57.03440	1.3
59.01384	10.0
65.00313	1.1
67.01903	1.0
69.23301	5.1
71.01379	7.3
72.99321	3.0
73.02947	2.1
81.03463	1.8
83.01382	3.4
83.78262	0.8
85.02956	3.5
87.00842	1.0
89.02455	0.9
91.01877	1.1
93.03470	14.5
95.01380	3.2
96.96018	2.5
99.00854	1.1
101.02450	5.4
106.00620	1.1
107.01353	0.9
108.02174	3.5
109.02976	8.2
111.00864	2.0
113.02457	2.6
120.23343	0.8
121.02973	20.3
122.00133	1.6
123.00893	9.7
123.04520	1.2
125.02455	1.6
127.00394	2.0
133.02879	1.5
135.04568	7.3
136.04826	1.1
136.98759	1.7
137.01447	1.6
137.02461	32.7
137.09735	1.1
138.03256	7.2
139.00362	3.8
139.04021	2.0
141.01985	1.0
152.01154	4.7
153.01967	5.3
153.05588	22.6
155.03484	3.1
160.01653	0.9
161.02477	4.5
163.04024	1.1
166.02705	0.9
166.99852	1.4
167.03540	0.8
168.00639	1.8
179.03439	2.8
181.01451	7.2
182.02235	7.7
183.02989	5.3
193.04915	1.0
197.04564	60.8
198.04871	1.0
225.04008	4.1
242.55051	0.7
281.06528	1.5
285.06271	1.7
429.10342	1.3
495.19028	0.9
498.82309	0.9
503.16693	2.4
507.28055	1.3
525.28827	1.4
552.22052	1.4
567.13812	13.8
567.24445	100.0
568.14648	1.1
568.24902	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	567.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90799	1.7
58.74640	1.5
59.01385	100.0
60.01688	1.8
61.16267	1.5
62.76360	1.9
69.88624	3.8
69.88953	3.7
78.95911	2.2
147.13101	1.5
185.28905	1.8
190.99167	1.6
199.35104	1.6
244.28230	1.7
307.01413	1.8
447.13925	3.1
490.60983	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	567.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
70.30558	2.4
76.61403	2.7
116.92860	4.8
177.03564	2.2
234.39882	2.8
282.77948	2.8
567.30035	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	567.3308
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
59.01381	1.3
64.57341	1.0
65.94248	0.9
69.14981	6.0
106.26820	1.1
144.85635	1.0
485.32800	100.0
486.33154	6.2
523.29230	1.9
567.33075	61.8
568.33307	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	567.3304
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
51.43554	3.6
55.48213	4.4
58.58530	4.6
61.98832	11.7
71.39900	6.5
119.68386	4.6
320.72263	5.3
417.98767	5.1
447.25836	5.5
457.12064	5.8
467.31549	26.3
485.32788	100.0
567.33209	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43906	2.9
62.03572	3.6
69.20921	19.1
72.99297	4.7
78.35986	3.3
87.50377	3.3
92.63589	2.7
280.89941	3.6
437.03033	3.5
471.34851	100.0
472.35123	8.1
473.35617	10.6
567.33844	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	567.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97527	2.5
77.73064	2.4
98.21820	6.7
126.58118	2.8
132.32005	2.6
136.35628	3.6
145.02997	4.0
252.19739	2.8
389.45615	2.8
393.21191	2.7
471.34833	100.0
472.35114	7.9
473.35379	5.1
525.94427	2.8
540.22144	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	568.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16286	46.6
53.21450	69.8
59.09168	47.7
61.98837	85.3
72.18369	55.3
72.99294	53.4
91.35781	55.0
91.71962	51.4
92.07446	52.0
99.57888	57.3
135.04543	100.0
143.63406	51.9
161.02454	61.5
449.34351	66.5
465.80807	60.3
469.33002	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59496	0.3
59.01386	2.6
61.34306	0.2
61.98845	1.5
69.89944	0.8
71.01389	0.8
72.99315	1.2
73.99311	0.2
78.91898	0.3
82.95435	2.2
84.93890	1.1
84.95126	0.8
96.96034	0.9
98.95577	0.4
99.00890	0.6
99.92595	13.4
100.92680	0.6
100.93375	10.2
101.02438	0.4
101.93394	0.3
103.00397	0.5
111.00908	0.3
113.02453	0.3
115.68711	0.2
115.92094	19.2
116.92875	100.0
117.92886	2.5
117.93649	0.6
127.12779	0.2
128.05008	0.2
133.02950	0.6
135.04549	2.1
140.92844	0.6
141.93684	0.3
142.94438	1.3
145.02927	0.4
156.92386	0.5
158.93927	0.8
160.01718	0.4
161.02440	2.8
169.93172	0.4
170.93996	0.4
173.92610	0.4
175.04036	0.4
179.03603	0.9
184.91808	1.5
184.95432	0.4
186.93433	0.3
194.76852	0.3
196.95526	0.4
197.04514	0.5
242.96062	0.4
250.64587	0.3
259.96332	0.4
301.14413	0.4
360.56973	0.3
407.17081	2.1
447.07623	0.9
465.08612	3.7
466.09000	0.7
471.62439	0.3
483.09705	3.5
495.09769	1.1
507.09390	1.6
525.10791	4.7
526.11017	0.4
533.07916	1.6
569.09741	9.6
570.09766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63208	1.6
59.01355	2.5
62.72115	1.6
72.99315	24.5
83.77586	1.8
93.03472	3.1
96.96013	1.8
99.00903	3.2
105.03432	2.6
107.05009	3.6
108.02152	2.8
109.02956	35.0
121.02946	5.1
123.04552	15.9
133.02972	37.2
134.03757	18.2
135.04536	100.0
136.04898	2.1
137.02429	7.9
145.03020	2.6
146.03738	3.2
147.04530	12.0
149.02419	3.0
151.04034	16.6
159.04520	11.6
161.02458	73.7
162.03189	4.9
173.02449	5.5
177.01967	17.1
177.05562	4.7
178.02802	2.1
179.03519	47.9
185.02405	3.8
191.03496	2.7
193.05070	75.9
195.34703	1.7
197.04565	42.7
199.04022	3.3
201.01945	4.5
213.09288	2.1
214.10011	1.8
219.02898	1.7
221.04489	16.3
222.06908	1.7
223.07686	3.0
225.05484	1.7
233.04468	7.5
237.05617	2.1
239.07385	2.0
241.08701	3.6
243.02979	7.3
249.05486	5.6
250.06346	2.1
251.07115	5.4
265.04834	1.8
267.06586	4.9
269.08124	4.8
270.05350	1.7
277.05057	4.5
283.06879	1.7
283.09659	8.1
287.16486	2.2
293.04520	3.1
294.05215	2.4
295.06113	19.0
299.09119	8.4
309.07715	9.9
313.07294	13.5
317.17480	5.0
321.04077	15.0
327.08688	10.2
339.05054	11.4
347.18564	2.1
353.06659	26.5
357.06161	17.5
359.07739	6.4
365.19644	9.0
371.07693	10.4
389.08926	2.9
519.09601	4.4
551.11865	10.1
569.25964	12.6
570.26581	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	569.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92236	0.4
58.66278	0.4
59.01378	2.3
59.08207	0.4
59.08595	0.3
61.98838	0.7
69.91351	0.4
71.43415	0.5
72.98899	1.0
72.99312	15.6
73.02953	0.5
78.95914	0.7
79.06792	0.4
82.95419	1.3
83.06314	0.4
84.95126	3.9
86.90471	0.4
96.96029	1.9
107.05046	0.7
108.17304	0.4
109.02943	1.2
110.01144	0.5
117.03500	0.4
123.04527	6.7
131.62625	0.4
132.02214	0.7
133.02975	19.9
134.03722	1.0
135.04543	19.5
136.04825	1.0
145.02963	1.0
148.52402	0.4
149.02429	0.4
150.03278	0.6
151.04053	0.7
158.30383	0.4
161.02458	100.0
162.02835	1.9
175.04030	0.7
178.43484	0.5
179.03519	14.5
180.03883	0.7
193.05002	0.7
197.04565	20.2
198.04831	0.6
198.72321	0.6
223.02446	0.5
283.39868	0.5
305.04694	0.5
327.08582	0.6
359.07755	30.5
360.08011	2.0
365.10327	1.3
461.09006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76836	0.4
57.03456	2.8
58.86999	0.4
59.01383	4.3
61.98821	0.5
69.08051	2.4
69.08451	1.0
69.72163	0.4
71.05050	0.4
72.99316	40.2
96.95991	1.0
98.21941	0.9
99.04529	3.0
99.92577	2.6
100.93372	3.0
101.02426	0.4
109.02975	0.9
109.10624	0.4
114.51846	0.4
115.92086	2.5
116.92098	0.8
116.92879	10.8
117.03493	0.5
119.05042	0.6
121.02961	1.2
122.03765	1.5
123.04521	1.8
125.02451	1.8
133.02982	4.8
134.03781	3.6
135.04543	4.4
137.02464	1.7
139.04086	0.5
142.94423	0.5
145.02980	3.6
146.03697	0.7
147.04530	1.2
150.03244	1.4
151.04047	3.5
159.04486	0.9
160.05356	2.6
161.02458	9.9
161.06108	0.6
162.02960	0.6
162.06825	0.6
163.39076	0.5
172.05331	3.1
173.06081	2.0
174.03265	0.7
174.06874	0.7
175.04019	1.8
176.04877	0.7
178.02715	5.8
179.03505	1.9
180.05803	0.4
183.13899	0.6
185.05943	0.6
186.06857	1.2
186.93481	0.5
187.04028	2.6
188.08232	0.6
189.05655	0.5
190.06345	4.5
193.05037	0.5
197.04515	0.8
200.04924	0.4
201.05516	0.7
202.06418	2.5
211.13406	5.5
212.94917	1.1
221.28383	0.4
231.86505	0.4
242.96002	1.8
271.13553	0.8
273.14993	0.9
281.12183	0.6
281.15262	0.6
283.13434	11.6
284.13696	0.8
287.16425	0.6
289.14569	0.7
294.59995	0.4
297.15088	2.3
299.12714	0.7
299.16614	1.0
300.13739	0.6
301.14471	15.8
302.14832	0.6
309.15009	4.0
315.16037	8.6
317.17667	0.8
327.16068	5.5
333.17157	3.6
345.17081	2.9
346.97079	0.6
353.13708	0.5
363.18246	0.5
371.15048	1.0
389.16061	13.6
407.17136	100.0
408.17474	5.8
533.24176	2.5
569.20239	2.9
570.07635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69511	1.8
57.67288	1.8
61.98824	5.8
72.81487	1.6
76.65303	1.7
78.95921	2.5
79.62650	1.6
99.92596	34.0
100.93371	47.0
115.92088	64.6
116.92896	3.9
119.65464	2.1
195.36443	2.0
208.48264	1.7
305.83066	1.7
365.03751	2.1
384.12357	1.7
469.32983	6.3
470.33527	2.4
471.33728	3.6
551.24982	3.7
569.25787	100.0
570.26398	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	569.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98701	0.8
57.94326	0.8
59.01387	100.0
59.93807	0.9
61.98838	1.0
90.95975	0.8
96.28615	0.7
116.92828	0.8
135.04597	0.9
144.29919	0.6
175.95337	0.8
199.69762	0.8
452.51642	0.8
487.34448	2.5
492.37024	0.8
569.34601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84052	0.7
57.23563	0.8
57.26471	0.7
69.11467	6.1
75.00893	4.9
78.95914	38.6
96.96975	58.0
97.93121	1.0
98.21860	1.3
98.93939	3.3
101.03397	0.8
113.92651	4.2
196.87584	0.7
328.83459	0.9
471.34842	100.0
472.35043	7.0
473.35461	1.6
569.26294	1.6
569.34772	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	569.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15554	0.9
57.45597	1.0
58.00581	1.2
59.01397	7.6
59.54161	0.9
61.98871	1.0
69.15024	0.8
69.15346	6.4
71.05038	2.8
71.20575	0.8
72.52817	1.0
86.03445	1.1
86.49146	1.0
104.15792	0.9
135.04597	1.5
161.02480	1.3
181.00156	1.0
377.28448	1.4
423.32797	1.6
427.32043	2.1
437.30472	1.5
439.31827	1.5
443.35483	1.7
467.31863	4.7
468.31528	1.2
469.33273	24.0
470.33780	2.0
487.34326	92.8
488.34921	7.5
569.34650	100.0
570.35144	5.9
575.53394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38978	0.4
52.20988	0.4
56.65343	0.5
56.90521	0.4
59.01335	1.1
61.98814	0.4
73.12262	0.4
80.91630	1.0
98.22662	0.8
176.06961	0.4
192.65457	0.4
288.32825	0.5
299.34692	0.4
337.84924	0.5
349.94955	0.5
441.33969	0.8
469.33252	0.5
487.34326	100.0
488.34619	7.5
569.34686	54.1
570.35236	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	569.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30556	0.8
52.75949	0.8
61.98826	6.0
68.83369	0.9
71.03665	1.1
78.33887	0.9
80.91692	2.3
102.82585	1.1
125.74615	0.9
133.60966	0.9
197.95201	1.0
210.31543	1.1
229.39845	1.2
313.49188	1.0
485.32739	1.8
487.34357	100.0
488.34839	6.3
569.34705	50.3
570.29718	1.6
570.35602	1.8
599.19336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81474	0.8
69.81811	2.5
79.00345	0.6
95.14729	0.7
101.40535	0.8
155.07523	0.7
191.50819	0.7
440.35486	0.9
456.18088	0.8
487.34320	100.0
488.34586	7.3
569.34644	56.7
570.34967	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	570.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.01716	14.7
61.01801	14.7
61.98832	7.5
63.71409	4.0
65.10574	4.0
95.58404	3.8
133.03044	3.7
161.02391	8.9
179.03534	4.5
259.43365	4.5
267.54712	3.7
483.06140	5.0
545.10425	6.3
571.09021	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	570.3054
Annotation	14-O-Anisoylneoline
Peak:m/z	Relative Intensity
59.42507	0.7
61.98834	100.0
72.99657	0.7
98.79165	0.7
148.08725	0.7
148.95049	0.7
262.27197	0.7
343.22946	0.8
485.32678	15.0
486.32846	1.9
487.33945	1.4
488.34476	5.0
570.30359	61.3
571.31079	3.6
594.18884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.305
Annotation	14-O-Anisoylneoline
Peak:m/z	Relative Intensity
50.60542	0.4
61.40599	0.4
61.98836	100.0
69.10729	2.5
71.05032	1.1
75.00590	0.3
84.22343	0.5
84.93297	0.4
86.09239	0.4
87.07703	0.4
91.64182	0.4
95.06128	0.4
98.21922	1.0
107.04359	0.4
132.18243	0.4
151.24881	0.4
185.94473	0.3
212.02649	0.4
217.78737	0.4
238.73158	0.4
238.78996	0.4
256.22086	0.4
262.81747	0.4
279.99551	0.4
423.32965	0.8
425.30621	1.1
437.30566	0.7
467.31641	6.5
468.32303	0.6
485.32693	10.0
486.33109	2.0
570.30475	88.3
571.30804	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	570.9472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	65.5
62.22503	0.7
63.03989	0.8
66.53554	0.7
69.66949	3.2
72.32531	0.7
132.98213	2.4
141.23535	0.7
148.14191	0.8
154.58365	0.9
174.99269	33.6
201.02579	1.7
217.00325	100.0
218.00677	2.3
236.60396	0.8
266.96732	0.9
308.97769	0.8
335.04611	1.0
365.01288	0.8
374.99249	86.8
375.99557	2.8
466.96771	1.7
500.90076	0.8
544.52118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.9468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72964	0.8
59.01382	60.7
60.12627	0.7
68.16589	0.7
69.21415	4.1
71.01395	0.8
72.99298	1.3
73.37142	0.8
78.95903	0.8
87.00845	0.9
90.51765	0.9
92.04548	0.8
92.66638	0.7
132.98209	2.2
135.04552	1.3
154.97533	3.1
172.97827	0.7
174.99268	31.4
191.05557	1.0
201.02510	0.9
202.19586	0.8
214.98824	2.4
217.00319	100.0
218.00691	1.7
228.90826	4.9
231.65120	0.8
295.86594	0.7
314.97003	0.8
338.00858	0.8
341.11081	0.8
372.97528	1.5
374.99237	83.0
375.99506	1.6
385.56943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	5.7
63.66329	2.2
68.49242	2.3
99.92594	19.3
100.93370	48.2
104.51257	2.0
109.57178	2.0
115.92087	70.1
116.92843	4.3
139.96085	2.1
166.17694	2.5
248.78615	1.8
258.88248	2.3
277.27008	2.2
365.93311	2.4
471.34732	7.5
472.35062	2.5
473.35541	7.8
553.25977	3.7
570.73651	2.6
571.27332	100.0
572.27960	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	571.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96276	1.1
59.61458	1.1
61.98846	7.1
69.76494	3.6
78.94729	1.2
88.91531	1.4
98.29919	1.2
99.92602	20.6
100.92684	1.7
100.92842	0.9
100.93372	46.9
115.92093	78.4
116.92115	1.4
116.92862	3.1
129.94115	1.2
279.48898	1.4
321.11975	1.3
471.35001	8.9
472.35004	2.0
473.35507	7.4
553.26251	1.6
571.27362	100.0
572.27771	12.0
585.25104	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	571.274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	7.8
81.87677	1.0
93.70005	0.8
99.92600	14.7
100.93373	62.1
101.93372	2.2
115.92091	100.0
116.92052	2.1
116.92876	5.9
120.48272	0.8
131.98898	0.8
132.92378	1.5
141.27681	0.9
188.41255	0.8
385.93640	0.8
471.34802	7.8
472.35211	1.7
473.35336	4.7
553.26642	1.5
562.40942	0.9
571.27338	79.4
572.27740	8.9
585.25458	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	571.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	2.8
69.39961	3.1
77.96636	0.6
78.95886	0.7
96.96991	0.7
98.22710	1.0
99.92599	12.8
100.93376	36.6
101.93406	0.8
115.92091	70.6
116.92123	1.3
116.92841	4.1
117.86935	0.7
120.91671	0.6
132.92369	0.8
439.60956	0.7
471.34689	4.7
472.35223	1.7
473.35504	2.6
553.26086	1.2
571.27368	100.0
572.27692	8.6
585.25464	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	571.2897
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.55006	0.8
55.31314	0.7
61.98824	1.6
78.95916	71.2
92.92802	0.9
96.96968	13.8
111.90661	0.7
152.99615	63.5
157.54726	0.7
164.05637	0.8
171.00716	0.9
209.38950	0.8
223.00188	2.0
240.98666	1.1
241.01227	30.2
255.23341	75.6
256.23648	2.9
300.71054	0.8
307.48041	0.8
315.04932	10.7
349.81244	0.8
391.22629	7.3
496.96008	0.7
571.28955	100.0
572.29181	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	571.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92228	0.8
69.37375	3.7
78.95911	73.0
82.27317	0.7
96.96971	13.7
98.22711	1.3
150.97998	1.3
151.59807	0.7
152.99605	63.0
223.00127	2.2
241.01212	30.3
255.23315	78.8
256.23645	2.6
280.85434	0.7
315.04852	10.6
391.22549	7.3
440.95013	1.0
571.28925	100.0
572.29462	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	572.3205
Annotation	Canescensterone
Peak:m/z	Relative Intensity
61.98833	100.0
70.97460	0.9
78.95925	2.1
96.96014	2.9
107.67221	0.7
118.29365	0.8
120.98911	0.8
132.26854	0.7
165.79910	0.7
364.94705	0.7
414.21204	0.8
487.34320	14.0
488.34427	3.3
538.98279	0.8
572.32001	64.9
573.32178	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	572.3211
Annotation	Canescensterone
Peak:m/z	Relative Intensity
61.98836	100.0
69.49738	2.9
95.87523	0.7
98.22760	0.9
124.77248	0.7
161.02538	0.8
407.11948	0.8
469.33185	3.0
470.33206	0.8
487.34256	6.6
488.34464	2.2
572.32025	69.4
573.32452	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	572.321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68537	0.7
61.98834	100.0
62.58305	0.7
65.33186	0.7
66.44022	0.9
98.21788	1.4
113.48434	0.7
161.02362	1.1
176.93195	0.8
204.05875	0.8
429.28085	0.8
472.19504	0.8
487.34320	13.7
488.34546	2.6
490.34955	1.1
540.54028	0.9
572.32050	69.6
573.32190	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	572.321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.17718	4.3
70.31026	0.7
73.32171	0.6
98.22559	1.4
102.10772	0.6
135.04561	1.2
181.61646	0.7
191.74675	0.7
232.17799	0.7
454.02725	0.8
487.34430	14.6
488.34589	2.8
572.32050	68.7
573.32471	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	573.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16483	0.3
59.01379	1.4
69.74580	1.3
72.99315	1.0
83.18872	0.3
96.96022	3.1
98.22060	0.4
99.92597	10.0
112.81438	0.3
116.92877	100.0
116.98326	0.7
117.92886	2.2
135.04521	1.9
145.02931	0.3
156.92435	0.7
161.02444	1.7
162.02840	0.4
175.62737	0.3
179.03540	0.8
189.37210	0.3
197.04448	0.4
215.95323	0.3
279.52048	0.3
293.10443	1.1
331.02939	0.4
343.71826	0.3
357.01315	0.4
375.01804	0.9
455.13733	0.5
475.04913	0.6
519.03918	1.2
529.26666	1.0
537.05212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77024	2.9
55.32296	2.9
59.01348	4.1
61.98836	3.3
72.99313	49.1
95.05042	2.9
96.96021	12.0
105.03444	3.5
108.02158	4.9
109.02986	32.2
110.53706	2.7
121.03007	14.1
123.04546	21.9
133.02980	23.0
135.04553	35.3
137.02492	4.3
138.33009	3.0
147.04541	8.2
149.02397	4.0
151.04030	53.8
159.04500	3.5
161.02457	60.0
163.04022	8.7
175.02582	5.3
175.03893	3.5
177.02008	5.7
179.03473	16.2
185.02440	6.3
197.04610	10.4
209.06071	4.4
210.06825	4.1
211.07668	6.9
225.05653	3.7
239.07109	8.2
255.06601	7.5
257.08105	15.7
265.04980	3.6
267.06720	7.3
269.08145	7.1
270.74939	2.8
277.04929	4.7
283.06104	9.5
295.06088	9.2
313.07169	8.5
331.08115	9.5
357.06204	34.4
358.06393	2.9
359.07736	19.6
375.07227	28.0
440.20331	3.0
555.11481	100.0
556.11871	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	573.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21310	0.7
56.22744	0.7
59.01386	7.9
60.99310	15.3
71.01383	1.0
72.99302	1.2
81.46677	0.7
88.98817	100.0
93.43867	1.0
116.92867	1.9
122.46340	0.9
133.03003	1.4
135.04514	4.2
141.67400	0.9
161.02458	6.2
179.03476	1.0
231.82224	0.8
253.21008	0.8
259.89188	0.8
546.28162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70876	8.8
54.82067	8.0
55.41002	8.7
59.01387	40.0
61.98818	17.7
64.53608	7.8
69.19679	40.7
72.99308	11.6
78.06032	8.5
83.13546	8.0
85.95171	8.6
95.05038	10.4
96.96009	8.6
97.25713	9.3
99.92550	20.5
113.06104	14.7
116.92873	100.0
117.92883	38.5
128.37628	9.5
133.02959	11.2
135.04553	30.1
161.02461	35.4
179.03502	16.2
268.34204	9.7
417.26587	13.6
493.20270	10.5
527.95319	10.8
531.33203	44.8
569.83081	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	575.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70033	0.9
74.67009	0.5
79.01960	0.5
91.05577	0.6
92.36530	0.5
96.22821	0.5
107.05074	2.0
109.02965	1.1
117.03465	1.2
132.02206	1.0
133.02971	14.7
134.03769	7.4
135.04543	100.0
136.04881	1.2
160.01651	0.8
161.02457	16.1
162.02832	0.6
167.04916	0.7
178.02713	0.7
179.03517	64.5
180.04001	0.5
182.33281	0.5
185.02454	0.6
193.02963	0.5
193.05086	1.2
194.03735	0.8
195.04494	0.5
197.02565	1.1
207.04572	0.7
209.02286	0.7
215.03534	1.7
221.02466	0.8
221.18130	0.4
222.03236	0.7
223.03902	0.6
225.05745	0.7
233.02603	1.1
235.03995	1.3
237.05724	0.7
239.03511	1.7
243.03040	0.6
249.01974	0.6
250.02713	1.1
251.03355	0.7
253.05122	1.2
261.01981	0.8
264.04388	0.7
265.01419	7.3
265.04684	0.7
265.05209	0.6
266.02115	1.7
267.03040	1.6
267.06805	0.6
277.01453	2.9
278.02203	1.1
279.03082	1.0
281.04605	1.7
293.00916	2.1
293.04639	2.3
294.01810	0.8
297.04190	4.0
305.01059	0.8
308.03275	0.9
309.03995	2.4
309.87573	0.5
321.04022	0.7
322.04730	1.0
323.05624	0.7
323.78738	0.5
325.03577	2.1
332.10318	0.6
335.02170	0.6
336.02603	0.9
337.03583	8.2
338.03967	0.8
351.05106	2.0
363.01328	1.2
366.03882	0.8
367.04535	4.3
368.05252	0.8
369.06134	1.6
381.02408	1.0
395.04117	33.3
396.04691	4.0
398.95224	0.6
531.09613	2.6
575.08344	51.5
576.09009	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	575.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48914	1.4
54.69845	1.2
57.28167	1.1
59.01386	31.5
67.54640	1.1
69.13916	3.0
69.14315	7.4
71.01392	20.7
73.02949	5.6
81.03455	1.3
83.01401	2.7
85.02958	8.9
89.02464	9.9
95.01423	1.5
98.21893	2.4
99.00880	1.4
99.04530	100.0
100.04899	1.5
101.02454	11.2
109.02942	2.1
113.02454	10.8
119.03517	4.2
125.02451	7.1
133.02966	2.2
135.04527	8.0
136.04890	1.5
143.03485	2.3
161.02472	4.5
161.04558	8.1
165.05637	1.7
179.03508	3.6
179.05574	3.0
182.14275	1.5
269.10297	16.2
351.02386	1.8
351.14587	2.2
491.19083	1.7
515.25610	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	575.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.6
59.01386	14.5
61.98832	1.3
69.40033	2.7
71.01388	2.6
72.99312	0.8
73.02961	1.8
82.95427	0.9
83.01372	2.8
83.05038	0.6
85.02961	0.9
87.00886	1.9
88.98814	0.7
93.03443	0.8
96.96060	0.5
97.06602	0.9
101.02473	2.3
107.05044	1.7
113.02475	0.8
116.92889	0.9
117.03448	0.8
119.05038	100.0
120.05357	1.5
125.02578	0.6
133.02950	1.2
135.04521	1.6
145.02936	2.5
149.06113	0.7
161.02478	3.1
161.06131	1.1
161.09740	4.0
161.13376	1.9
162.10146	0.5
163.04025	76.0
163.11295	0.8
164.04346	1.4
177.05646	0.7
187.11299	5.3
189.09265	3.6
203.10762	0.9
205.05074	0.9
205.12352	2.1
207.10210	1.1
213.32980	0.6
223.13396	1.7
231.10228	1.0
235.06152	0.9
249.11351	3.5
265.07117	1.3
267.12350	1.9
273.11426	0.6
291.12430	1.3
325.09271	2.7
333.13464	1.5
340.97684	0.6
351.14612	0.9
411.16577	6.5
450.91541	0.6
460.72424	0.6
531.28284	8.8
539.21368	2.1
540.08923	0.6
575.21338	23.8
575.30286	1.0
576.21863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
59.01121	1.1
59.01393	14.3
69.03444	0.8
71.01392	7.6
72.99324	2.4
73.02957	2.0
82.95419	1.0
85.02956	2.8
88.98811	4.4
89.02475	4.1
91.01917	2.7
93.03473	1.5
93.11086	0.8
94.98097	0.8
95.01412	0.8
96.96026	0.8
101.02454	4.2
107.05062	0.9
112.50459	0.7
113.02465	2.5
116.92860	1.6
117.03423	1.0
119.01385	7.9
119.03574	0.8
119.05022	4.4
121.02980	4.5
121.06591	0.8
123.04539	0.9
132.02179	0.8
133.02995	3.6
134.03761	2.1
135.04533	6.2
137.09735	5.4
145.02957	3.7
147.00902	7.3
147.04552	2.0
149.02461	19.7
150.03201	0.9
151.04018	0.9
152.01146	0.9
161.02455	8.6
162.03258	1.4
163.04021	8.3
164.04814	19.6
165.02010	1.0
165.05525	0.8
175.00378	43.9
176.00937	1.4
177.05515	1.3
179.03552	2.8
179.07123	4.8
190.02740	100.0
191.03349	3.1
192.04228	0.7
193.01451	0.9
197.04593	0.8
199.37910	0.9
203.07162	1.6
205.05072	86.8
206.05766	4.8
207.02957	1.0
207.06612	1.1
208.03752	1.9
209.04517	2.0
221.08247	4.4
222.49481	0.8
223.06142	36.5
224.06381	0.7
235.06076	1.3
237.07693	2.0
247.06123	2.3
250.04811	0.9
251.05658	2.2
265.07196	41.2
266.07565	1.3
277.07126	1.1
281.06708	0.9
295.08279	27.8
325.09305	42.3
326.09674	1.2
327.21762	2.2
359.07730	1.6
367.10321	1.4
385.11505	9.7
413.13397	1.3
429.17834	0.9
531.28625	4.0
553.58679	0.9
575.24951	42.5
576.25195	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	575.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92666	1.4
52.23631	1.7
59.01391	15.4
69.12377	9.4
89.02426	2.1
93.62731	1.5
101.02480	2.8
110.80870	1.5
113.09863	1.8
142.48758	1.7
253.09332	14.6
279.23325	100.0
280.23657	5.6
295.09732	2.2
517.67328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.6
65.85512	2.5
86.45807	2.5
102.86173	2.5
104.47997	2.4
150.33359	3.2
166.35265	2.9
201.21593	2.9
217.96928	2.4
218.94044	2.5
251.28793	2.3
253.09366	13.4
279.23331	100.0
565.10339	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	575.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98845	2.5
82.76134	1.8
86.50843	2.0
89.07341	1.9
115.04572	2.2
134.69493	1.9
135.04587	3.2
214.74377	1.8
217.35040	1.9
217.95396	1.6
515.33502	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	576.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89825	2.1
61.98837	2.8
62.88044	2.3
65.83833	2.1
72.04548	12.8
82.02995	55.7
89.66406	2.4
98.02488	24.1
100.04056	25.4
105.38988	2.2
109.68266	2.2
119.05049	31.9
135.04471	2.3
144.76802	2.4
179.03525	2.6
189.05606	5.4
192.10425	2.4
217.74040	2.3
218.08327	5.8
220.09763	11.5
256.02271	2.2
264.08801	100.0
399.72958	3.1
533.02484	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	576.204
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96410	2.0
65.83508	1.5
78.95910	100.0
89.38120	1.5
94.56249	1.7
96.80830	1.8
96.96033	8.3
96.96973	5.1
98.21889	6.8
98.95605	4.3
99.92587	14.2
100.93377	5.9
114.94920	9.5
115.92085	7.2
116.92870	6.1
125.92937	1.7
140.01190	3.4
141.96060	12.8
150.97992	3.9
152.98357	3.3
152.99605	60.9
163.89650	2.2
164.90494	5.1
171.00702	2.6
178.88440	6.6
179.89232	21.1
180.90082	9.4
181.90796	6.1
192.00673	2.2
196.89511	30.4
204.92450	2.0
205.93202	6.8
212.55182	2.0
223.94356	2.2
235.91812	8.0
236.92538	2.8
252.91992	1.8
277.95288	4.2
279.23303	34.6
279.97229	1.8
433.23758	3.8
499.15521	4.9
516.15808	6.8
533.16449	2.4
536.60504	1.8
540.18542	12.8
541.17773	2.0
558.19305	6.9
572.16986	2.1
576.20294	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	576.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75709	0.3
61.98836	100.0
69.72541	1.2
101.92943	0.4
120.13986	0.4
129.04718	0.4
143.58180	0.4
312.45358	0.4
544.89648	0.5
600.89148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
62.02682	0.7
63.35060	0.6
66.06284	0.6
67.56853	0.6
69.62074	2.2
107.09912	0.7
163.36870	0.6
202.86697	0.6
236.97102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	18.1
67.59960	0.3
69.14294	1.0
69.14703	1.4
75.38383	0.3
78.95912	6.5
91.33414	0.3
100.24332	0.3
120.30454	0.3
152.99580	1.2
165.74840	0.3
168.04344	1.3
224.07037	1.0
242.08023	3.4
259.20667	0.6
277.21744	100.0
278.22067	3.1
297.11945	0.3
361.51157	0.4
502.29453	29.5
503.29666	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	576.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	24.0
67.73787	0.8
69.82100	3.4
75.94479	0.8
78.95914	24.4
93.92654	0.8
123.52915	0.9
137.74741	0.9
152.99658	4.2
168.04329	3.2
224.06978	11.0
227.32063	0.8
242.08105	2.4
260.61359	0.9
277.21756	100.0
278.22049	3.1
502.29465	65.3
503.29675	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	577.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80635	0.4
60.45389	0.3
72.99345	0.4
76.72189	0.4
93.03484	0.6
96.96024	1.3
109.02957	1.3
113.35946	0.4
121.02968	2.2
123.04506	0.4
132.02151	0.4
132.42000	0.4
133.02960	0.7
134.03754	0.8
135.04544	11.4
147.04518	0.5
149.06119	1.5
159.04530	0.7
160.01680	0.9
161.02431	2.3
162.03146	0.7
163.94513	0.4
172.05380	0.5
173.06088	0.9
179.03629	0.4
184.82399	0.4
187.03993	0.7
193.05034	1.2
197.09732	0.5
198.59987	0.4
199.04018	0.7
207.08122	0.5
209.06078	0.5
209.09778	1.4
210.06871	0.5
211.07545	0.5
219.08203	0.6
222.06885	2.1
223.07755	0.7
225.09290	1.1
234.06706	0.5
235.07626	2.2
236.08392	0.8
237.05588	1.2
237.09300	3.2
238.06360	2.1
239.07021	0.5
245.06102	0.5
247.07777	0.5
248.04915	0.6
249.05721	0.7
250.06416	3.2
251.07176	1.4
253.08740	1.6
261.05466	0.5
262.06207	0.6
263.07248	2.9
264.07864	0.6
265.05051	1.5
265.08719	3.8
266.05844	3.0
279.06631	0.9
280.07431	0.7
281.08237	8.6
289.05173	0.8
291.06677	3.1
293.04507	0.9
294.05368	2.3
307.06012	1.7
309.07721	10.9
314.87009	0.4
325.07224	3.6
335.05692	3.2
353.06696	100.0
354.07062	5.3
372.11743	0.7
510.43155	0.4
533.10938	23.3
534.11340	1.5
604.50793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.21831	0.5
71.24995	0.9
72.14087	0.6
72.99316	0.7
96.96020	1.5
108.02185	2.2
109.02963	56.0
110.03315	0.7
116.45124	0.6
120.05541	0.7
121.02962	1.2
126.07571	0.6
133.02995	0.8
135.04512	1.8
145.02966	2.1
147.00876	0.8
147.04529	2.3
149.02448	2.3
152.01158	1.3
157.02939	2.4
158.03662	1.0
159.04501	3.0
161.02466	1.7
163.00415	3.1
164.01237	2.9
173.02478	3.2
174.03276	1.0
177.01990	1.3
185.02455	36.1
186.03224	10.5
187.03954	0.7
191.00003	1.0
193.06638	1.2
197.04501	1.0
197.06110	1.0
206.67331	0.6
209.06094	2.8
211.07700	1.3
211.64337	0.7
221.06096	3.5
222.01689	1.1
222.06660	0.8
222.58098	0.7
223.02414	1.2
223.04344	0.8
223.07594	1.0
224.04770	2.6
225.05519	6.4
232.05435	0.8
233.05853	0.8
237.03835	2.9
239.07187	3.5
248.04846	1.7
249.05579	9.3
250.06378	1.9
251.03560	2.8
251.06725	0.6
252.04294	5.5
253.05141	1.2
265.05112	1.7
266.05945	3.2
267.06631	7.1
276.04294	1.7
277.05090	15.2
278.06015	0.8
279.03094	6.3
280.03748	10.3
285.14990	2.4
293.04587	4.8
294.05362	1.1
295.06143	34.0
296.06522	1.4
321.04056	13.7
322.04474	0.7
339.05112	100.0
340.05484	3.9
353.06824	1.0
428.24191	0.7
533.21405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1564
Annotation	Kaempferol-3-Rhamnoside-7-Rhamnoside
Peak:m/z	Relative Intensity
83.01382	1.0
117.03437	0.9
119.05012	1.0
121.02916	0.9
135.04500	1.2
151.00386	2.1
154.04161	1.0
155.05072	1.2
156.11629	0.9
159.04527	1.6
161.02515	1.0
167.04988	0.9
168.06056	0.9
169.06602	2.4
171.04521	1.2
173.02467	0.9
183.02901	0.8
183.04477	2.7
185.06105	1.2
187.04079	1.1
189.05547	1.3
197.06183	0.9
211.04007	3.3
213.05602	3.7
214.02719	1.3
215.03552	1.3
227.03477	5.1
229.05106	2.6
239.03535	1.0
241.05006	1.2
243.02951	1.4
255.03015	38.9
256.03506	1.9
257.04507	3.1
283.02524	75.6
284.02966	5.3
285.04077	100.0
286.04422	3.8
430.09036	18.5
431.09872	73.2
432.10080	3.7
577.15656	37.6
577.24945	1.1
578.15717	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.28031	0.8
57.03429	1.1
59.01386	100.0
66.86157	0.8
69.03452	1.9
71.01390	28.2
72.99311	0.9
73.02956	74.6
83.01398	16.5
85.02957	4.2
86.00090	0.7
87.00889	2.9
88.85703	0.8
89.02460	8.8
95.01411	2.3
96.96029	2.4
97.02975	1.1
101.02458	49.8
108.02202	3.5
109.02973	1.8
113.02469	17.7
119.03495	4.1
119.05011	1.5
122.03764	0.8
123.04542	2.3
125.02464	2.0
131.03516	5.0
131.05081	0.8
133.02995	1.4
135.04500	1.5
136.01668	17.6
143.03508	3.2
143.05017	0.8
145.03000	2.1
146.03787	1.1
149.04552	4.9
151.04028	23.8
155.03606	1.6
158.03862	0.9
159.04546	2.9
160.05331	4.0
161.02449	3.5
161.04572	12.7
162.03157	0.9
163.03990	1.5
166.02791	1.6
169.97173	0.9
172.05298	1.1
174.03152	1.4
175.04036	3.4
175.07629	2.3
179.03503	1.4
181.05104	2.2
187.04005	4.9
188.04787	9.3
189.05542	1.2
193.04984	1.1
193.06638	1.2
197.04553	1.2
203.03545	1.1
203.05522	1.2
203.07191	6.0
204.04321	1.2
209.06129	2.4
219.06567	2.4
221.06285	3.2
223.07558	1.1
233.06178	1.1
237.05618	11.2
248.04942	1.2
249.05606	9.5
250.06320	6.9
251.07011	1.6
252.08025	4.3
253.08290	1.1
261.05542	3.1
262.06189	1.1
263.07080	1.9
264.07944	16.1
265.05063	13.8
265.08670	5.0
266.05771	1.6
267.06564	2.0
269.08295	0.9
276.07886	1.9
277.05032	3.4
279.06519	5.2
280.07419	24.8
281.08215	2.9
292.07449	3.6
293.08051	1.0
294.09024	2.7
295.06622	1.5
295.09778	29.4
296.10318	2.4
306.09018	1.8
307.06540	1.7
307.09592	5.1
308.40158	0.8
309.07690	3.0
309.11423	2.5
310.08557	4.3
322.08588	0.9
324.10052	1.5
325.10837	13.2
337.10712	2.2
343.11969	1.8
355.11893	68.6
356.12216	2.6
373.13046	6.1
389.15628	0.9
392.17081	0.9
517.17224	1.3
517.30017	1.9
522.58862	0.9
577.27203	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	577.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
59.01389	2.2
66.67830	0.2
66.91697	0.2
71.01387	2.1
71.43249	0.2
72.99327	0.3
73.02948	1.1
83.01390	0.3
85.02958	1.4
87.00877	0.2
89.02464	0.3
89.03979	1.5
99.00938	0.4
101.02459	1.5
106.04260	0.4
107.05038	0.3
113.02440	1.1
115.35876	0.2
115.75808	0.2
117.03473	5.4
119.05098	0.3
132.02194	3.7
133.02969	0.4
134.03755	79.4
135.04172	0.9
137.02536	0.2
137.21800	0.2
145.03032	0.2
149.06110	7.5
160.01683	11.7
161.02393	0.9
161.04575	0.4
175.04028	10.9
176.04234	0.3
178.02745	0.6
179.03581	0.3
180.34048	0.2
193.05074	100.0
194.05357	1.8
199.37292	0.2
221.11829	0.4
269.10324	0.5
401.14661	0.5
422.10141	0.2
533.29523	0.3
577.19043	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	577.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92209	0.6
59.01383	1.1
61.98806	0.6
63.59192	0.7
65.81634	0.6
69.94625	1.2
82.06567	0.6
97.21961	0.6
100.74582	0.6
120.60961	0.7
153.12636	0.7
208.24330	0.6
225.02663	0.6
229.12366	10.9
256.14850	1.1
269.15500	0.8
271.51031	0.7
283.17203	1.5
285.18631	100.0
286.18924	4.7
293.61487	0.6
311.16528	3.8
329.17444	3.3
338.21497	0.7
364.94696	0.7
432.82083	0.8
491.22980	2.8
533.24017	33.6
534.23981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63654	0.5
52.77309	0.6
54.66577	0.6
59.01357	0.9
61.98843	8.1
63.96241	1.3
69.03447	1.4
69.75806	2.5
71.01386	6.0
73.02943	1.8
78.98594	5.5
79.95746	9.6
80.96523	65.4
81.03462	1.1
82.95445	1.0
85.02974	2.7
87.00882	2.6
94.98100	16.1
96.95997	1.0
97.02967	1.0
98.22620	1.3
99.00871	0.9
101.02448	2.3
106.98090	3.3
121.02919	0.8
122.97607	4.7
125.02444	3.1
127.04102	0.6
134.97580	4.2
136.99144	0.7
148.99179	5.9
152.98650	7.2
164.97313	0.8
164.98650	11.4
167.00215	0.6
182.99687	2.3
206.99760	3.1
225.00778	12.9
243.01759	2.1
277.21802	2.1
299.04391	2.2
379.28732	1.5
380.28815	3.1
442.50751	0.6
452.10529	0.7
554.15167	0.6
577.26923	100.0
578.27429	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	577.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
61.98837	7.5
63.96248	1.3
69.03481	0.6
69.22478	0.5
71.01385	7.6
72.99323	0.6
73.02952	2.3
77.79719	0.5
78.98589	5.5
79.95746	11.1
80.96526	69.6
81.03457	0.9
85.00408	0.6
85.02962	2.8
87.00877	1.9
89.33170	0.5
94.98096	14.5
96.96019	1.6
97.02952	1.2
101.02442	1.7
101.30055	0.5
106.98113	2.8
122.97601	2.8
125.02460	2.4
127.04028	1.0
129.20155	0.6
134.97630	4.9
136.99187	1.3
148.99153	4.6
152.98647	5.4
155.57941	0.6
164.98651	10.0
167.00243	1.0
167.48224	0.6
206.99724	1.5
225.00777	13.1
255.13942	0.6
277.21759	1.4
299.04343	2.4
300.07507	0.5
577.26941	100.0
578.27271	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	577.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61692	1.9
57.03458	4.9
59.01385	40.2
66.73364	2.3
71.01405	12.8
71.01733	2.7
72.99333	3.6
73.02959	8.7
73.94418	2.0
83.01421	3.4
85.02975	4.6
88.67920	2.0
96.96028	10.2
101.02463	9.2
106.97028	1.9
109.02966	3.6
110.13940	2.0
113.02453	3.3
117.03460	2.4
127.11289	3.6
132.02226	2.3
133.02969	9.6
134.03764	23.5
135.04549	11.7
147.04570	2.6
149.06078	3.0
160.01678	5.6
161.02466	26.8
165.05589	4.0
171.10254	5.7
175.04056	5.1
179.03499	6.7
193.05080	31.2
197.04691	2.5
201.11314	27.3
235.05908	2.2
329.23398	6.9
373.25970	3.3
391.53348	2.5
428.82233	2.2
473.27463	15.2
491.28784	24.3
533.29803	100.0
534.30121	9.1
535.31055	4.0
577.24902	6.9
577.32489	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	578.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59469	4.3
59.01384	55.1
61.98826	4.0
63.94975	4.7
71.01386	23.7
73.02944	5.9
73.52358	4.4
85.02977	4.6
89.02493	11.6
101.02455	11.2
113.02473	9.1
119.03558	5.4
135.04506	9.4
148.01677	16.6
151.04030	6.4
153.05608	6.1
161.02440	5.0
161.04582	5.0
163.04004	41.0
164.04671	4.8
173.85808	5.3
179.05618	4.6
179.07111	8.8
181.05106	19.9
193.05063	12.5
207.06750	4.9
211.06160	15.2
240.96326	4.4
254.05853	9.3
258.66037	5.3
266.54620	4.8
268.87955	4.9
269.08224	14.3
313.10803	10.9
336.34961	5.3
343.11859	55.2
355.11462	4.9
373.12970	100.0
374.13168	7.6
437.98096	4.7
518.26947	14.7
536.28485	7.6
583.66022	5.0
587.23505	5.2
604.41284	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	578.319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54187	1.4
61.98836	100.0
69.13484	8.8
80.96518	2.4
98.22610	3.3
99.51360	1.4
102.08343	1.3
145.03009	1.9
206.25420	1.4
279.23361	1.9
385.66385	1.8
470.63361	1.6
579.28741	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	578.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43292	0.6
57.74435	0.6
61.98838	100.0
65.43627	0.6
69.10750	4.3
76.35440	0.6
80.96524	0.7
96.48457	0.6
222.07547	0.7
251.24715	0.7
279.23550	1.0
300.02957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91552	0.6
59.01388	13.9
70.56904	1.3
71.01381	1.3
78.95914	4.7
79.95750	1.3
80.96526	8.6
85.94347	0.6
88.27705	0.6
94.98091	2.0
104.01643	0.6
122.97591	0.7
128.16817	0.5
136.23079	0.7
152.99686	0.9
164.98637	0.9
168.04315	1.5
183.18663	0.6
216.13780	0.6
224.06892	0.8
225.00790	1.7
242.08028	2.3
243.23592	0.6
269.95129	0.9
279.23318	100.0
280.23657	3.6
448.39529	0.8
461.20239	0.6
504.31000	27.4
505.31253	1.7
519.27026	0.7
533.72949	0.8
578.27295	11.9
579.26764	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33162	0.4
53.71948	0.5
59.01384	20.6
61.98827	0.8
62.96402	0.4
69.14908	3.1
71.01357	0.5
78.83269	0.4
78.95911	21.6
79.95741	0.8
80.96523	4.2
82.24482	0.4
94.98083	1.1
100.02233	0.5
114.69028	0.5
118.10944	0.5
122.98584	0.7
130.31837	0.4
152.99611	3.0
164.98647	0.4
168.04326	2.9
170.84343	0.5
224.06961	8.6
225.00873	0.8
242.08055	2.6
261.22333	0.5
279.23312	100.0
280.23700	3.7
504.31012	64.1
505.31293	3.4
555.76746	0.6
556.17694	0.7
578.27295	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	579.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.8
68.99818	3.6
71.41050	2.6
89.42778	2.0
96.96015	5.9
109.02961	100.0
119.01377	4.6
133.02925	3.4
134.03740	2.9
135.04558	13.5
137.02454	7.0
145.02997	4.5
147.00891	4.7
148.01674	21.3
149.02383	7.4
158.03743	2.2
159.04556	3.5
161.02451	7.4
173.02415	5.2
175.00381	7.5
175.03979	2.7
179.03522	26.6
185.00899	2.9
185.02460	34.7
186.03223	5.9
197.04536	2.7
207.02982	34.7
216.83249	1.9
217.05064	13.1
225.05705	3.1
231.61165	2.0
241.44673	2.4
249.05534	3.2
250.06268	3.4
252.04285	3.8
265.05130	2.9
267.06613	8.7
277.05014	10.5
279.03104	3.5
280.03546	2.6
293.04410	4.3
295.06131	51.9
321.04092	5.9
327.08786	16.9
339.05112	17.5
353.02795	2.6
371.07712	10.7
385.05563	3.4
401.34290	2.1
547.09045	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	579.1355
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.38958	0.6
59.01388	2.6
72.99332	0.7
73.02961	1.7
74.67696	0.6
75.00890	1.2
78.07793	0.5
83.01389	1.4
88.80224	0.6
89.02473	0.7
93.03464	2.0
98.22653	1.8
101.02488	1.2
107.01410	2.5
108.02200	0.9
109.02975	2.4
113.02526	0.9
113.07642	0.6
121.03014	0.7
125.02405	0.6
133.02985	0.7
135.00900	2.1
135.04532	3.9
143.05061	0.8
149.02405	0.9
151.00380	2.5
151.04030	0.9
157.06667	0.9
159.04558	2.4
161.02463	2.0
163.00385	2.4
163.04001	1.1
165.01941	1.2
169.06645	1.3
171.04514	0.7
174.03218	0.6
175.04079	1.3
176.04861	0.8
179.03503	2.0
179.07176	0.7
181.05118	2.4
181.06633	0.7
182.05363	1.1
184.53984	0.7
185.06110	2.4
187.03932	3.5
189.05603	1.0
191.07162	2.2
193.05112	1.1
197.04472	1.1
197.06078	1.4
199.04077	1.3
201.05533	0.8
203.07129	1.2
211.04018	2.2
213.05611	2.9
219.02831	0.8
227.03516	27.1
228.04027	1.0
229.05064	12.8
239.03560	2.3
240.04259	1.0
241.05037	1.8
255.03011	47.0
256.03687	4.6
257.04620	9.5
275.07220	0.6
284.03293	58.1
285.04068	100.0
286.04507	4.0
293.08038	0.9
317.13889	1.0
327.05078	1.1
327.12292	0.7
344.68994	0.7
355.08307	0.6
357.13525	1.6
369.13254	0.7
381.06070	2.8
399.07544	0.9
421.87256	0.7
445.35510	0.6
518.28497	0.7
519.18854	1.5
537.19611	0.6
579.13586	91.2
580.13898	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	579.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89268	0.7
57.03435	1.2
59.01385	10.6
59.16926	0.7
62.83578	0.9
69.41329	3.6
70.01620	0.8
71.01389	3.6
72.99307	3.4
73.02950	3.1
77.14803	0.8
83.01392	4.4
83.05030	1.1
85.02946	1.7
87.00896	1.5
88.98811	2.4
89.02457	1.3
93.03464	1.1
96.78999	0.8
96.96011	3.6
97.06602	1.0
101.02452	3.0
107.05029	2.9
108.02185	34.3
109.02962	2.0
113.02475	1.1
117.03425	1.3
119.05029	1.4
120.05852	0.9
123.04541	16.1
123.32581	0.8
132.02177	1.7
133.02951	3.1
134.03723	2.6
135.04564	9.3
135.42154	0.9
145.02956	3.5
147.08081	0.9
152.01169	69.4
153.01675	1.1
160.01688	4.4
161.02467	8.0
161.09764	4.7
161.13409	1.9
163.03987	1.8
163.11316	1.4
165.01961	0.9
167.03513	100.0
168.03833	1.9
175.04037	3.7
179.03491	3.8
187.11284	6.8
189.09258	4.1
193.04987	1.9
197.04555	2.8
205.12332	3.3
207.10255	2.4
223.13394	5.3
228.58299	0.9
229.12556	0.9
231.10269	2.8
249.11328	4.6
253.08855	0.9
267.12384	2.9
273.11258	1.4
291.12274	1.9
315.12701	1.3
329.08871	1.4
333.13544	2.2
351.14359	1.5
375.27618	1.5
411.16666	12.7
492.83838	0.9
519.31818	1.4
555.34302	0.9
579.20313	12.1
579.33978	1.8
580.21149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89268	0.7
57.03435	1.2
59.01385	10.6
59.16926	0.7
62.83578	0.9
69.41329	3.6
70.01620	0.8
71.01389	3.6
72.99307	3.4
73.02950	3.1
77.14803	0.8
83.01392	4.4
83.05030	1.1
85.02946	1.7
87.00896	1.5
88.98811	2.4
89.02457	1.3
93.03464	1.1
96.78999	0.8
96.96011	3.6
97.06602	1.0
101.02452	3.0
107.05029	2.9
108.02185	34.3
109.02962	2.0
113.02475	1.1
117.03425	1.3
119.05029	1.4
120.05852	0.9
123.04541	16.1
123.32581	0.8
132.02177	1.7
133.02951	3.1
134.03723	2.6
135.04564	9.3
135.42154	0.9
145.02956	3.5
147.08081	0.9
152.01169	69.4
153.01675	1.1
160.01688	4.4
161.02467	8.0
161.09764	4.7
161.13409	1.9
163.03987	1.8
163.11316	1.4
165.01961	0.9
167.03513	100.0
168.03833	1.9
175.04037	3.7
179.03491	3.8
187.11284	6.8
189.09258	4.1
193.04987	1.9
197.04555	2.8
205.12332	3.3
207.10255	2.4
223.13394	5.3
228.58299	0.9
229.12556	0.9
231.10269	2.8
249.11328	4.6
253.08855	0.9
267.12384	2.9
273.11258	1.4
291.12274	1.9
315.12701	1.3
329.08871	1.4
333.13544	2.2
351.14359	1.5
375.27618	1.5
411.16666	12.7
492.83838	0.9
519.31818	1.4
555.34302	0.9
579.20313	12.1
579.33978	1.8
580.21149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09108	0.8
57.03448	0.9
57.60820	0.8
58.74578	0.8
59.01387	52.3
61.98822	1.1
67.86716	0.9
69.03445	1.7
69.14447	3.2
69.14853	1.7
71.01391	21.9
72.99321	1.4
73.02953	37.4
73.08608	1.0
83.01407	9.8
85.02972	5.2
87.00890	2.6
89.02464	7.7
91.62201	0.8
95.01395	1.8
96.96014	2.2
99.00838	0.9
101.02450	23.7
108.02175	2.2
109.02981	4.3
113.02469	12.6
119.03511	4.5
123.00903	1.8
123.04481	1.5
124.01653	1.2
125.02477	1.3
131.03537	3.1
133.03009	1.1
135.04543	7.4
136.01683	60.6
137.02351	0.8
143.03528	3.1
146.03775	2.0
147.04570	1.2
149.04547	3.1
150.03221	2.1
151.04027	100.0
152.04422	1.6
159.04526	4.8
160.05327	12.5
161.02463	1.4
161.04573	8.4
161.05930	2.1
165.05524	1.9
171.04715	1.4
175.03993	1.2
175.07663	14.7
176.04750	1.6
179.03494	3.4
179.05576	1.6
187.04036	1.1
191.07127	1.8
197.04530	1.2
223.07643	1.4
231.07707	1.0
235.07494	1.4
250.06815	1.0
251.07123	3.7
261.05652	1.3
262.06372	1.1
263.07239	5.3
264.07901	1.2
266.09427	0.9
267.06430	1.9
278.06445	1.3
278.09549	4.3
279.06653	8.0
293.05032	1.0
293.08276	2.8
294.09021	9.3
295.06085	1.0
309.11307	12.5
312.10010	2.2
324.09903	1.3
327.08496	2.1
327.12408	45.1
328.12714	3.2
339.12411	11.4
357.13461	1.4
359.28101	1.0
381.06491	1.2
392.22623	1.2
489.17633	2.6
501.18002	1.0
519.18829	3.4
537.19940	1.2
591.22113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01372	4.7
61.98872	0.7
71.01392	5.7
72.99321	1.5
73.02945	1.8
83.01379	0.9
85.02972	3.0
87.00906	1.2
89.02483	1.0
96.95985	0.8
98.21784	1.5
98.70888	0.7
101.02453	3.3
105.64862	0.7
111.51835	0.9
113.02468	2.0
113.13319	0.8
117.03444	1.4
119.05071	1.2
123.04552	1.7
132.02188	22.2
133.02940	2.9
134.03755	27.2
135.04550	3.7
145.60498	0.9
149.06081	3.0
152.01106	1.0
160.01680	100.0
161.02345	3.4
163.04019	0.8
167.03537	1.7
175.04025	98.1
176.04395	1.5
178.02681	0.9
179.03535	1.1
193.03290	1.4
193.05072	29.0
194.05367	0.8
197.04558	0.8
205.12415	1.1
280.17831	0.8
337.09515	1.0
380.05878	0.8
579.24530	89.3
580.24908	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	579.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.01388	6.3
61.98835	0.8
71.01381	2.8
71.40771	0.6
72.99314	0.6
73.02946	1.5
83.05032	1.6
83.70183	0.5
85.02965	1.0
89.02454	1.4
101.02451	1.5
105.03489	0.6
105.40398	0.6
109.02937	0.6
113.02453	1.0
113.06085	0.7
117.03484	1.6
117.40635	0.4
123.08166	0.6
132.02188	16.4
133.02985	3.7
134.03761	21.3
135.04561	3.6
137.02382	0.6
137.09798	1.1
143.49504	0.5
146.03778	0.6
147.04610	0.6
149.02380	0.5
149.06081	3.5
153.09204	0.5
160.01674	72.9
161.02347	3.1
163.04021	0.6
175.04021	76.9
176.04459	1.9
177.05534	0.6
179.03520	2.9
179.07135	1.1
191.07198	0.9
193.05070	18.5
197.04602	0.4
205.12413	0.7
208.94925	0.5
223.13297	0.6
235.06119	1.4
261.39688	0.5
337.09314	1.3
387.32230	0.6
441.50424	0.5
519.31750	2.0
564.22217	0.5
579.24530	100.0
580.24835	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	51.3
61.98837	5.5
69.15403	27.9
71.01391	19.2
72.99310	14.9
73.02985	5.1
77.84553	3.8
78.95935	4.2
83.01390	7.6
85.02959	7.6
89.02474	6.0
96.96025	7.4
98.21888	9.5
98.52061	3.8
101.02469	10.4
105.01960	5.0
109.02947	6.6
117.03475	25.4
119.05029	13.3
123.04546	6.4
133.03003	21.8
134.03772	8.2
135.04536	65.7
145.02966	75.6
150.23021	4.2
151.04066	3.9
157.82529	4.3
161.02460	49.9
163.04048	18.4
167.03561	4.3
179.03554	14.2
182.20834	4.2
190.02202	4.5
193.89723	4.5
197.04614	9.9
197.28004	4.1
209.04611	8.3
220.86888	4.0
246.65692	4.1
247.06375	5.5
313.23849	5.7
331.24893	21.5
417.25156	6.3
474.37161	5.1
475.29166	9.4
493.30298	15.9
535.23383	6.0
535.31274	100.0
579.13745	6.3
579.27673	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.82423	1.2
78.95916	1.3
81.90040	0.3
88.94597	0.3
97.52907	0.3
98.22562	0.7
108.55527	0.4
140.62898	0.3
152.99611	0.4
216.20636	0.4
224.06876	0.4
232.45035	0.4
277.21881	1.5
278.22388	0.5
279.22626	0.6
359.53531	0.3
364.60886	0.3
435.29321	0.4
459.21579	0.4
502.29605	1.0
504.30328	0.5
505.30316	0.7
538.70728	0.4
541.15100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98837	100.0
68.45506	0.2
69.22284	1.1
78.95933	0.4
81.94878	0.2
89.24747	0.2
98.22697	0.4
124.74836	0.2
142.93436	0.2
152.99631	0.4
161.73347	0.2
258.25397	0.3
268.92227	0.3
277.21799	2.5
278.22012	1.7
279.22415	1.2
280.22812	0.6
366.03818	0.3
502.29636	0.7
504.29922	0.3
505.30643	0.9
583.55078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95576	0.3
59.01392	0.5
61.51672	0.4
61.79981	0.3
61.98835	100.0
66.46859	0.3
72.99306	0.3
73.02965	0.4
89.02424	0.3
97.48260	0.3
109.01703	0.3
122.03772	0.3
125.14769	0.3
135.04543	0.8
149.02429	0.3
150.03233	2.0
161.02510	0.6
164.04756	0.4
165.05560	2.5
165.68633	0.3
174.55554	0.3
175.00450	0.9
175.02512	0.3
179.03575	0.4
190.02724	1.6
205.05055	1.7
209.90051	0.4
252.50786	0.3
323.99786	0.3
367.10315	3.3
581.19037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67437	0.5
52.90628	0.5
59.01386	1.0
61.98837	100.0
69.35087	1.0
69.35477	1.5
74.06211	0.4
82.12151	0.5
84.10112	0.5
135.04564	0.6
136.04932	0.6
161.02458	1.1
171.78694	0.5
179.03540	0.7
184.77657	0.5
230.92300	0.6
414.04617	0.6
416.71466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53990	1.7
61.98836	4.5
70.64850	2.8
72.04537	9.3
82.02995	59.7
98.02483	21.0
100.04055	24.1
107.05076	2.0
119.05046	25.4
139.64464	1.7
192.10294	5.3
217.06978	1.8
218.08197	6.9
219.69490	1.8
219.83934	1.7
220.09822	11.4
235.18253	1.9
264.08792	100.0
265.09076	3.8
355.06644	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11633	0.4
59.01384	14.4
61.98837	3.2
69.11211	2.5
78.95915	5.3
85.00442	1.5
98.22640	0.7
107.32796	0.3
152.99622	1.6
168.04294	0.9
223.78320	0.4
224.07057	1.0
224.76155	0.4
241.81055	0.4
242.08034	3.6
281.24890	100.0
282.25214	3.7
339.24838	0.4
376.95682	0.5
506.32544	25.9
507.32736	1.5
535.52448	0.4
580.29028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91824	0.6
58.84697	0.6
59.01390	4.0
60.34087	0.6
60.80768	0.6
66.57024	0.7
71.01385	1.7
72.99310	3.1
73.02966	1.3
73.66981	0.8
85.02967	1.0
88.98801	1.2
101.02464	1.0
109.02945	2.6
119.05040	1.2
123.04525	2.7
125.02473	4.8
132.02144	1.3
133.02985	1.2
134.03737	2.4
135.04552	7.7
138.45009	0.7
139.99377	2.0
145.02992	1.8
146.03719	4.6
147.04524	6.9
151.04094	1.1
154.98212	0.7
155.01717	0.9
157.02966	2.9
160.01669	5.4
161.02510	5.0
162.03333	0.9
167.03513	1.9
169.01448	4.3
173.02490	1.2
175.04008	7.1
176.04802	1.1
179.03534	2.5
185.02390	1.0
186.03410	0.7
193.05074	1.5
197.04605	1.5
197.06140	1.2
209.06189	1.9
224.04913	1.1
225.05560	4.5
228.00568	0.9
229.01410	11.2
235.03963	2.0
237.05649	3.6
244.00143	2.8
253.05086	8.5
253.09334	1.1
255.03065	1.2
263.03555	5.2
264.04272	3.2
265.05042	6.5
269.04608	0.7
270.05301	1.3
278.05997	0.8
279.06625	1.9
280.03845	1.1
280.07306	1.1
281.04575	38.0
282.05212	3.7
283.06161	1.1
287.07898	1.1
291.03131	1.1
292.03806	1.0
293.04492	4.3
295.06131	1.7
296.06921	18.7
297.07678	5.3
298.08420	0.8
307.05679	0.8
309.04062	9.7
311.09296	14.0
313.10846	3.2
323.05487	1.0
324.06427	5.5
331.06693	1.2
335.01999	1.3
339.08765	10.9
345.22748	7.3
353.02844	1.1
355.08286	0.8
368.05429	2.0
381.11914	1.4
383.07751	100.0
384.08127	4.6
401.08902	2.2
446.43710	0.8
521.33215	2.2
581.25720	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	581.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
61.98842	0.3
69.73535	0.6
72.99311	1.0
81.03474	0.2
89.03988	0.6
91.05544	0.7
93.03471	0.4
94.91972	0.2
95.05012	0.3
96.96046	0.2
98.22682	0.2
101.02459	0.2
105.03492	0.6
106.04262	0.5
107.05035	2.2
108.02196	0.3
109.02956	0.7
116.92875	0.2
117.03495	1.7
119.05019	0.3
121.02979	0.9
123.04523	0.9
124.51942	0.2
132.02206	0.2
133.02972	3.5
134.02727	0.3
134.03764	8.8
135.04543	100.0
136.04880	1.7
137.02470	0.2
139.04054	0.2
141.44107	0.2
147.00883	0.3
147.04491	0.2
149.02449	0.4
149.06093	0.2
150.03278	0.4
151.04010	1.0
161.02460	10.9
162.02763	0.3
175.03810	0.2
177.01970	1.5
177.05495	0.2
178.02725	0.4
179.03519	13.3
180.04016	0.5
191.03554	0.3
193.05115	1.6
193.06616	0.3
197.04541	1.6
207.02959	0.2
208.03796	0.4
211.07605	0.2
221.04419	0.2
221.06273	0.2
222.03236	0.2
223.04231	0.2
223.06166	0.3
236.04739	0.2
237.05644	0.6
239.07140	1.0
265.04999	0.2
267.03079	0.2
267.06799	0.2
268.03812	0.2
269.04538	0.3
273.06308	0.2
281.04630	0.9
283.06204	1.1
309.04099	0.5
311.05588	2.5
313.07309	0.4
339.05109	7.8
340.05527	0.4
341.06656	0.2
351.05099	0.7
359.07791	3.0
369.06171	5.3
369.10583	0.4
370.06439	0.3
371.07916	0.3
401.08807	3.5
473.08783	1.0
517.08075	0.4
549.10535	2.2
581.13068	5.0
582.13312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05877	0.7
61.16980	0.7
70.91059	1.0
72.99294	1.0
96.92930	0.8
107.05038	2.2
109.02953	1.0
110.95766	0.8
119.01447	1.3
125.02457	1.0
126.27866	0.8
133.02951	5.3
134.03745	6.7
135.04541	100.0
136.04865	1.9
137.02435	4.5
144.65636	0.7
147.00879	4.1
148.01642	1.9
151.04073	1.0
161.02451	10.5
163.00333	4.9
164.01146	1.1
175.00529	0.8
177.01936	1.4
179.03516	79.2
180.03902	1.5
183.04535	0.8
187.00421	1.5
190.99884	1.3
195.04602	1.9
197.04462	1.2
197.76872	0.8
198.03183	0.8
206.02214	2.2
207.02924	3.7
211.03969	2.2
213.05530	0.8
223.03978	3.2
229.05095	1.3
234.01744	3.9
238.02629	1.5
239.03525	2.8
240.04146	1.5
249.02066	1.0
250.02702	2.3
251.03508	2.8
254.05794	1.5
255.03041	1.0
256.03745	1.3
257.04626	1.2
265.05057	1.8
266.02249	1.4
267.03070	5.1
268.03577	0.9
281.04688	1.3
282.05472	3.9
283.02719	1.4
284.03217	3.5
285.03983	1.2
294.01797	1.9
295.02438	3.0
298.04846	2.5
299.05597	3.2
309.03964	2.9
310.04614	2.3
313.07220	1.5
326.04333	7.7
327.04977	2.9
331.08325	4.5
341.06592	4.8
354.03763	10.4
354.93784	0.8
355.04730	4.6
369.06180	63.2
370.06598	4.1
371.04086	3.2
372.04654	1.8
386.06491	5.0
387.07187	11.3
401.08884	3.9
419.09912	4.9
534.07965	3.1
549.10480	22.9
550.10236	1.5
581.13123	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	581.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.2
61.98858	0.5
69.10291	1.1
69.10714	1.1
72.99326	1.1
89.04012	0.5
91.05512	0.8
93.03516	0.3
95.05059	0.4
96.96017	1.2
98.21809	0.7
99.04474	0.4
105.03475	0.6
106.04293	0.6
107.05022	1.7
108.14633	0.3
109.02985	0.5
115.92078	0.4
116.92888	1.6
117.03467	0.5
133.02982	8.8
134.03777	8.5
135.04549	100.0
136.04881	2.1
137.02434	1.1
146.03757	0.4
150.03242	0.5
151.04031	0.4
160.01602	0.5
161.02464	9.9
162.02788	0.7
177.01938	1.0
178.02745	2.3
179.03522	77.0
180.03824	1.5
183.04495	0.5
211.04053	1.7
211.13394	0.3
215.07251	0.3
227.03484	2.0
228.04233	0.4
239.03477	2.0
240.04309	0.5
251.03418	0.5
255.03020	6.3
256.03799	3.0
257.04483	0.8
266.02277	0.6
267.03009	4.7
267.05832	0.6
268.03525	0.5
283.02609	0.5
284.03290	0.5
295.02505	1.1
298.05002	0.9
311.05426	0.6
312.02594	0.4
321.76471	0.3
325.03436	1.3
326.04349	21.2
327.01627	0.3
327.05081	1.9
329.06619	0.4
343.04721	0.5
344.05411	9.9
345.05679	0.5
354.03821	1.0
355.04614	0.4
359.07632	0.7
369.06146	1.0
372.04935	5.1
387.07251	2.4
401.08807	3.1
404.07367	1.7
419.09857	9.7
420.09729	0.5
506.08560	4.9
581.13098	8.5
581.27405	0.5
582.12909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.7
69.61112	3.0
80.91665	1.3
94.33723	1.5
98.22022	2.2
99.32085	1.6
121.50199	2.0
133.02971	5.8
134.03810	8.3
135.04539	100.0
137.02464	7.1
147.00838	3.1
148.01666	2.0
149.02483	1.8
161.02487	12.9
163.00360	4.3
167.05092	2.0
179.03526	68.4
179.05112	3.4
183.04636	1.7
190.99817	2.1
206.02220	2.5
207.02969	4.0
211.04082	2.5
222.42244	1.6
223.04114	3.1
229.05038	2.5
234.01640	2.2
239.03514	3.8
251.03566	2.6
267.02875	4.9
271.89020	1.5
280.38303	1.7
282.05194	3.4
283.02490	2.1
284.03281	4.5
285.03934	1.6
295.02533	2.9
298.05045	2.3
299.05548	2.8
308.03830	1.8
310.04785	1.7
326.04398	9.8
327.04999	3.8
331.08136	5.3
341.06558	3.5
354.03644	9.3
355.04486	4.8
369.06189	61.6
370.06549	3.5
371.04108	2.7
386.06454	6.5
387.07193	13.5
401.08563	6.7
419.09955	4.6
458.92838	1.6
534.08502	3.9
549.10333	17.1
550.10846	2.2
581.13092	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	581.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41754	0.6
59.01379	1.5
72.99309	4.2
77.25301	0.6
78.95910	1.7
81.03484	0.9
85.02982	0.7
88.98811	2.7
93.03464	0.7
95.01321	0.7
95.05041	0.9
96.89034	0.7
96.95997	3.4
108.02209	1.2
108.05479	0.6
109.02964	42.3
110.03234	0.9
121.02962	1.8
123.04546	4.3
124.01643	1.0
124.81128	0.6
125.02445	2.2
132.78616	0.6
133.02959	2.1
135.04532	5.5
137.02463	5.9
138.03247	1.3
145.02960	1.5
147.04546	1.6
149.02438	3.1
150.03253	6.0
151.04060	5.1
159.04523	1.9
161.02472	4.0
165.05563	0.8
172.01701	2.8
173.02426	1.3
175.04028	1.9
179.03569	1.7
181.01761	0.8
185.02460	14.2
186.03116	1.9
193.06616	1.4
195.02922	4.5
197.04543	1.3
200.01155	4.4
201.01913	3.3
203.03459	1.4
204.05855	0.9
205.06763	1.2
209.06085	0.8
212.03229	1.1
217.05095	0.7
219.04504	1.8
220.05243	1.3
221.06116	6.5
223.03938	1.4
225.05475	1.0
227.05650	1.8
229.01422	3.6
231.02998	17.3
232.05331	2.1
233.06113	2.6
236.04691	0.9
237.05574	4.0
239.07198	1.2
247.04074	1.7
248.04845	6.9
249.05589	13.8
250.02628	0.7
250.06110	1.6
251.03389	3.7
252.04114	1.6
263.03409	0.8
264.04352	2.2
265.05054	5.5
266.05490	0.7
267.06635	3.0
275.03430	1.8
276.04355	4.8
277.05090	11.0
279.02966	6.4
280.03513	1.7
292.03787	2.5
293.04587	23.2
294.05319	3.9
295.02890	0.9
295.06122	14.7
296.06558	0.9
303.02985	1.8
307.04874	0.8
309.07648	0.9
321.04062	100.0
322.04352	3.5
327.08768	0.9
339.05112	14.2
340.05148	0.7
346.09460	1.1
353.06680	15.9
354.07172	1.1
358.09540	1.3
371.07700	1.7
383.07602	0.8
549.10449	5.5
581.19507	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34886	2.2
59.01386	100.0
69.75089	1.9
70.72830	2.1
71.01395	9.4
71.43671	2.3
73.02936	3.0
75.25965	2.4
76.86044	2.1
85.02949	3.1
87.00883	5.9
89.02447	3.7
89.04005	3.2
96.26730	2.5
101.02453	4.6
113.02467	5.0
117.03475	9.6
119.01375	3.8
121.02975	11.8
130.42787	2.5
132.02185	19.0
132.22926	2.3
133.03009	10.1
134.03761	59.9
135.04584	12.7
137.02519	2.7
138.03148	3.4
145.02979	32.8
146.03714	9.1
147.04526	14.6
148.05345	5.2
149.02460	51.5
149.06097	10.8
160.01672	78.3
161.02460	33.7
162.03235	46.8
163.03995	11.6
164.04799	29.5
165.05627	3.1
173.06059	4.1
175.00423	25.4
175.04027	78.7
176.01190	2.9
176.04831	20.4
177.01965	92.0
177.05534	17.0
178.02702	9.0
179.03474	6.8
179.07095	5.9
180.04295	4.3
190.02748	58.7
191.03482	13.0
191.07204	27.7
192.04317	48.4
193.05078	78.4
195.06638	3.0
205.05090	63.0
206.05853	14.3
207.06587	20.0
208.03795	5.7
209.04620	2.9
217.05075	4.4
220.03827	5.1
221.08167	11.7
223.06152	48.2
235.06142	77.5
237.07726	6.8
250.04756	2.8
251.42313	2.3
265.07199	86.6
269.08197	6.7
294.09308	2.1
295.08255	63.4
299.09329	8.8
311.09262	10.0
314.11679	8.0
325.09293	30.1
326.11673	5.4
329.13956	43.8
330.14081	3.4
330.43164	3.0
341.13910	18.6
355.10391	8.5
377.12344	2.5
385.11487	10.3
389.16260	3.1
487.26166	2.5
563.17700	72.1
564.18201	5.6
581.18860	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	581.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16313	19.9
59.01384	94.4
68.29803	18.0
69.21485	100.0
69.55420	17.6
71.01395	41.4
72.24114	19.9
75.59342	18.7
79.16843	19.2
89.02459	43.3
126.24120	19.2
145.02931	32.9
161.02480	31.6
162.03244	45.3
163.06189	23.6
177.05492	30.6
211.00995	23.7
339.10754	68.5
377.06271	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01401	4.2
89.02454	1.7
98.39927	1.4
109.02963	2.0
113.02463	2.4
117.03503	2.2
119.01458	2.2
119.05026	1.8
121.02953	3.0
132.02161	1.8
133.02989	2.3
134.03778	6.5
135.04573	3.0
145.02982	14.9
146.03741	4.3
147.04533	5.1
149.02460	11.4
160.01672	8.0
161.02460	12.6
161.04602	2.4
162.03242	18.8
163.04002	2.3
164.04810	12.3
165.05634	1.8
175.00375	11.9
175.04056	9.6
176.04779	1.5
177.01933	9.9
177.05528	8.6
178.02582	2.0
179.07147	8.9
190.02719	24.8
190.06474	1.7
191.03511	4.3
191.07213	3.5
192.04288	4.9
193.05109	7.2
205.05081	22.9
206.05785	4.3
207.06705	2.2
208.03815	2.1
208.07538	2.0
221.08208	5.9
223.06117	23.1
225.39626	1.6
235.06136	7.2
237.07907	2.4
265.07162	25.9
269.08200	8.1
283.09732	3.3
295.08203	13.8
299.09271	6.3
311.09338	9.6
314.11584	12.5
325.09171	12.1
326.11612	8.1
329.13980	53.1
330.14215	2.4
341.09937	2.8
341.13913	29.0
359.14996	1.8
385.11575	2.7
389.16290	9.3
410.10791	1.4
443.90628	1.4
527.51465	1.6
540.72925	1.7
563.17566	17.1
581.19733	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	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76856	0.6
59.26862	0.8
61.73909	0.7
61.92535	0.6
69.23545	2.3
69.23949	1.8
71.44263	0.7
72.99311	1.4
77.03974	3.3
77.38477	0.7
89.03970	1.2
93.03469	0.8
95.05048	8.1
105.03475	23.5
121.02957	0.9
123.04551	2.8
133.02975	100.0
135.04549	2.8
140.79532	0.7
151.04012	1.4
161.02461	1.5
177.01947	52.2
178.02388	1.0
194.91281	0.7
201.01765	0.8
357.56729	0.8
375.10974	1.4
398.85080	1.0
477.47336	0.8
540.81122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30631	1.1
57.01872	1.2
57.03455	100.0
58.99394	1.2
59.01387	3.1
61.65097	1.2
63.62200	1.0
72.99318	7.0
77.78522	1.0
78.95923	2.0
81.03463	3.4
96.96018	6.9
99.04530	14.5
101.02458	23.8
102.21213	1.1
109.02950	6.0
121.02990	2.7
123.04534	5.1
133.02957	2.5
134.03749	1.6
135.04541	11.5
137.02451	5.9
149.02431	1.2
151.03986	1.5
155.46973	1.1
161.02473	6.2
161.04561	1.2
163.04004	3.9
165.01950	28.4
166.02745	1.3
179.03506	15.0
180.04282	19.1
181.05147	1.2
185.02449	1.9
194.05800	1.5
195.06639	29.1
197.04587	3.3
209.08212	1.8
210.05423	3.0
223.06172	3.1
224.49724	1.3
225.07690	21.1
238.08400	3.4
253.10881	4.5
256.45474	1.5
263.09207	1.4
267.06934	1.5
272.09409	3.3
293.13937	5.1
295.06207	2.4
313.03568	3.9
321.04141	3.3
339.05072	2.6
339.46063	1.2
340.08075	1.3
346.09375	6.6
349.20483	1.2
358.09479	8.4
389.16074	6.4
402.08395	3.9
405.15338	1.2
420.09149	1.4
431.17010	6.2
437.18231	2.5
441.15479	1.9
456.17941	1.2
471.20309	12.3
472.20325	1.7
508.12787	1.5
581.22412	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	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30631	1.1
57.01872	1.2
57.03455	100.0
58.99394	1.2
59.01387	3.1
61.65097	1.2
63.62200	1.0
72.99318	7.0
77.78522	1.0
78.95923	2.0
81.03463	3.4
96.96018	6.9
99.04530	14.5
101.02458	23.8
102.21213	1.1
109.02950	6.0
121.02990	2.7
123.04534	5.1
133.02957	2.5
134.03749	1.6
135.04541	11.5
137.02451	5.9
149.02431	1.2
151.03986	1.5
155.46973	1.1
161.02473	6.2
161.04561	1.2
163.04004	3.9
165.01950	28.4
166.02745	1.3
179.03506	15.0
180.04282	19.1
181.05147	1.2
185.02449	1.9
194.05800	1.5
195.06639	29.1
197.04587	3.3
209.08212	1.8
210.05423	3.0
223.06172	3.1
224.49724	1.3
225.07690	21.1
238.08400	3.4
253.10881	4.5
256.45474	1.5
263.09207	1.4
267.06934	1.5
272.09409	3.3
293.13937	5.1
295.06207	2.4
313.03568	3.9
321.04141	3.3
339.05072	2.6
339.46063	1.2
340.08075	1.3
346.09375	6.6
349.20483	1.2
358.09479	8.4
389.16074	6.4
402.08395	3.9
405.15338	1.2
420.09149	1.4
431.17010	6.2
437.18231	2.5
441.15479	1.9
456.17941	1.2
471.20309	12.3
472.20325	1.7
508.12787	1.5
581.22412	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	581.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
76.07743	6.7
95.21565	7.1
100.03156	6.3
128.80116	7.3
135.04530	10.1
135.96507	8.6
161.02374	8.1
238.68512	7.7
289.21735	8.7
309.02979	7.2
315.19638	25.8
333.20801	100.0
369.65704	8.4
370.52289	6.9
385.38992	6.9
488.58911	7.5
537.27167	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	581.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25786	0.4
53.43858	0.4
57.92924	0.3
61.98837	100.0
69.27080	2.2
79.70482	0.4
87.70703	0.3
99.17638	0.4
186.17848	0.4
200.49272	0.3
203.05611	0.4
279.23242	2.7
280.23639	0.8
281.24039	0.7
391.84006	0.4
474.81494	0.5
504.31131	0.6
566.47430	0.5
579.66992	0.4
595.07007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.4
59.03824	0.2
61.98837	100.0
69.13221	0.5
69.13624	1.2
78.95889	0.6
80.82516	0.2
81.58703	0.3
83.51731	0.3
85.00508	0.2
87.00954	0.3
95.44798	0.3
98.22628	0.6
107.29749	0.3
110.18501	0.3
152.99628	0.4
175.20465	0.2
249.02467	0.3
279.23236	1.5
280.23889	0.5
294.07404	0.3
335.12204	0.3
504.31119	0.8
507.31796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47813	1.6
59.01384	100.0
61.20568	1.6
71.42044	1.4
92.38448	1.6
103.01509	80.6
146.86353	1.7
147.50459	1.6
168.67464	1.4
196.43781	1.9
199.63496	1.4
245.02942	1.5
310.80301	1.6
382.71948	1.5
455.35358	38.5
537.35980	6.7
544.25140	1.6
570.42474	1.6
581.35846	56.9
582.36072	2.7
596.77710	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	582.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
61.98846	2.7
72.99316	47.9
75.00884	0.6
78.95912	0.6
79.90972	0.4
79.95739	1.1
85.02944	1.0
93.03466	1.8
96.96021	23.9
97.95957	0.7
99.92592	0.9
100.93382	0.6
107.05029	0.4
108.02170	1.0
109.02940	1.4
114.93464	0.6
115.92067	1.1
116.92867	6.6
120.04466	0.5
121.02974	7.8
122.03786	2.0
123.04538	40.4
124.04834	0.6
126.38324	0.4
132.02196	1.3
133.02971	18.8
134.02460	0.9
134.03758	0.8
135.03311	2.2
135.04535	16.0
136.04053	2.9
137.02429	0.6
139.04042	0.8
146.02499	4.2
147.03300	3.6
147.04381	0.7
148.04059	5.6
148.05115	0.7
149.02452	3.8
150.03198	0.5
150.05588	0.4
151.04028	0.7
158.02473	0.7
159.03296	0.6
160.04028	3.6
161.02461	53.7
162.01953	2.0
162.02948	1.2
163.02744	1.5
163.03995	0.8
164.03548	0.7
165.04315	0.5
165.05603	0.5
174.01974	0.6
175.02773	2.4
176.03511	0.9
177.02034	0.5
178.05099	6.5
179.03506	8.8
180.06705	0.9
184.05441	0.4
186.02019	1.1
189.30357	0.4
190.01425	0.8
190.05151	0.6
191.02205	1.7
192.03061	1.4
197.04668	1.3
198.05704	0.4
206.04559	0.6
211.06285	0.9
212.07111	0.6
213.04140	0.5
214.05107	1.5
218.04700	0.4
219.01631	0.5
220.02501	0.5
223.06342	0.4
224.07179	0.7
225.05577	0.4
226.05177	1.0
228.06714	0.9
234.04013	0.5
237.02786	0.8
238.05083	0.8
238.08885	0.4
239.05853	4.3
240.04414	0.5
240.06712	1.7
241.05197	0.5
242.04639	1.3
242.08269	0.8
243.06731	0.4
243.08830	0.6
244.06123	0.7
250.05142	0.9
251.05936	2.1
252.05109	2.3
252.07072	1.2
253.04961	0.7
253.07399	0.6
254.04416	1.9
254.08340	0.6
255.05312	3.2
256.06192	3.7
257.06943	13.7
258.07608	0.5
264.06549	0.9
266.04742	0.5
266.08173	1.0
267.05411	1.4
268.06140	7.0
269.06918	8.7
270.07742	8.7
272.09293	29.3
273.09750	0.7
279.05240	0.6
280.06210	4.2
281.03955	0.6
281.06970	10.4
282.07739	6.9
284.09253	2.8
285.06470	0.5
287.08011	1.6
294.03949	0.5
296.05649	1.1
296.09314	4.8
297.06512	4.0
298.07089	0.8
300.08850	0.6
301.05951	1.5
302.10385	1.1
308.05707	5.7
310.07263	2.2
312.08795	6.5
314.06824	0.5
322.07111	0.8
325.05914	2.2
326.06723	2.4
328.08411	2.2
331.07065	1.3
333.06104	0.6
340.08267	15.9
341.08551	0.5
343.06766	0.4
346.09332	60.9
347.09647	1.7
356.07816	3.2
358.09344	100.0
359.09903	3.9
366.67236	0.4
368.07895	0.4
374.08679	0.9
384.07150	2.4
402.08301	36.6
403.06802	2.0
420.09433	5.8
421.07974	1.0
508.12534	15.8
520.12421	1.1
564.11481	0.7
582.12781	1.2
583.15057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
61.98846	2.7
72.99316	47.9
75.00884	0.6
78.95912	0.6
79.90972	0.4
79.95739	1.1
85.02944	1.0
93.03466	1.8
96.96021	23.9
97.95957	0.7
99.92592	0.9
100.93382	0.6
107.05029	0.4
108.02170	1.0
109.02940	1.4
114.93464	0.6
115.92067	1.1
116.92867	6.6
120.04466	0.5
121.02974	7.8
122.03786	2.0
123.04538	40.4
124.04834	0.6
126.38324	0.4
132.02196	1.3
133.02971	18.8
134.02460	0.9
134.03758	0.8
135.03311	2.2
135.04535	16.0
136.04053	2.9
137.02429	0.6
139.04042	0.8
146.02499	4.2
147.03300	3.6
147.04381	0.7
148.04059	5.6
148.05115	0.7
149.02452	3.8
150.03198	0.5
150.05588	0.4
151.04028	0.7
158.02473	0.7
159.03296	0.6
160.04028	3.6
161.02461	53.7
162.01953	2.0
162.02948	1.2
163.02744	1.5
163.03995	0.8
164.03548	0.7
165.04315	0.5
165.05603	0.5
174.01974	0.6
175.02773	2.4
176.03511	0.9
177.02034	0.5
178.05099	6.5
179.03506	8.8
180.06705	0.9
184.05441	0.4
186.02019	1.1
189.30357	0.4
190.01425	0.8
190.05151	0.6
191.02205	1.7
192.03061	1.4
197.04668	1.3
198.05704	0.4
206.04559	0.6
211.06285	0.9
212.07111	0.6
213.04140	0.5
214.05107	1.5
218.04700	0.4
219.01631	0.5
220.02501	0.5
223.06342	0.4
224.07179	0.7
225.05577	0.4
226.05177	1.0
228.06714	0.9
234.04013	0.5
237.02786	0.8
238.05083	0.8
238.08885	0.4
239.05853	4.3
240.04414	0.5
240.06712	1.7
241.05197	0.5
242.04639	1.3
242.08269	0.8
243.06731	0.4
243.08830	0.6
244.06123	0.7
250.05142	0.9
251.05936	2.1
252.05109	2.3
252.07072	1.2
253.04961	0.7
253.07399	0.6
254.04416	1.9
254.08340	0.6
255.05312	3.2
256.06192	3.7
257.06943	13.7
258.07608	0.5
264.06549	0.9
266.04742	0.5
266.08173	1.0
267.05411	1.4
268.06140	7.0
269.06918	8.7
270.07742	8.7
272.09293	29.3
273.09750	0.7
279.05240	0.6
280.06210	4.2
281.03955	0.6
281.06970	10.4
282.07739	6.9
284.09253	2.8
285.06470	0.5
287.08011	1.6
294.03949	0.5
296.05649	1.1
296.09314	4.8
297.06512	4.0
298.07089	0.8
300.08850	0.6
301.05951	1.5
302.10385	1.1
308.05707	5.7
310.07263	2.2
312.08795	6.5
314.06824	0.5
322.07111	0.8
325.05914	2.2
326.06723	2.4
328.08411	2.2
331.07065	1.3
333.06104	0.6
340.08267	15.9
341.08551	0.5
343.06766	0.4
346.09332	60.9
347.09647	1.7
356.07816	3.2
358.09344	100.0
359.09903	3.9
366.67236	0.4
368.07895	0.4
374.08679	0.9
384.07150	2.4
402.08301	36.6
403.06802	2.0
420.09433	5.8
421.07974	1.0
508.12534	15.8
520.12421	1.1
564.11481	0.7
582.12781	1.2
583.15057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.4
69.57493	21.2
70.48381	5.3
70.88611	5.9
71.66608	5.2
72.99308	9.4
78.56419	5.6
78.95901	6.6
80.40479	5.0
87.95282	5.1
93.03472	9.9
96.96015	91.9
96.96964	9.7
98.21963	10.5
102.89594	5.3
103.71645	5.4
109.02968	43.5
117.95004	5.0
121.02992	41.6
133.03008	11.9
135.00946	6.0
135.04553	86.3
137.02420	7.9
138.03204	7.1
145.02879	9.2
146.03683	6.0
147.04497	13.5
159.04576	11.8
160.01575	5.4
161.02449	14.4
161.06013	7.2
166.02707	5.9
173.02446	16.7
179.03517	57.5
181.05003	5.9
182.02180	6.8
185.06094	6.0
190.57191	6.0
197.82280	6.5
213.09288	7.8
215.10742	20.7
225.09245	13.7
233.89520	5.6
239.07141	7.8
241.08728	13.5
251.07120	8.1
267.06610	6.1
269.08145	48.7
293.20996	5.0
295.06131	100.0
485.17715	11.0
523.12988	34.1
523.19489	7.5
557.90149	6.6
576.33154	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	583.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
63.17915	0.4
65.03991	0.7
65.18882	0.5
69.03472	0.6
70.93864	0.4
71.01387	1.0
72.99306	1.6
74.63046	0.4
75.04413	0.4
84.88963	0.5
87.00886	0.5
89.02467	0.8
93.03467	34.6
93.15241	0.5
95.01393	2.0
97.02965	1.3
99.00874	0.7
107.01377	0.7
108.02189	0.6
109.02949	1.2
121.02943	0.8
123.00893	10.3
123.04486	0.9
124.01676	22.1
125.02460	17.0
135.04565	1.3
137.02460	48.4
138.02829	0.6
149.02388	0.9
149.99597	32.3
151.00365	1.8
151.04042	1.0
158.88924	0.4
162.19971	0.5
166.99907	0.6
167.03506	1.3
168.00658	76.0
169.01451	5.6
179.03461	2.3
197.04594	2.9
209.04564	0.6
223.02530	0.8
227.03464	0.5
269.06671	2.6
275.63000	0.5
331.06708	1.8
445.09894	11.9
451.09079	2.2
463.10968	11.6
464.10956	0.8
565.11957	0.7
583.13092	100.0
584.13416	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	583.131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38246	0.7
53.25161	0.8
56.97013	0.7
59.01390	1.8
59.92875	0.7
62.15562	0.7
63.80378	0.7
69.03455	1.5
69.08484	5.5
69.98853	0.6
71.01392	1.4
74.53506	0.7
83.01414	1.2
85.02967	1.0
89.02451	1.8
93.03471	35.3
94.03777	0.9
95.01407	1.7
97.02960	1.3
107.01436	0.9
109.02943	1.9
123.00903	10.2
123.04513	1.0
124.01680	26.1
125.02473	19.7
128.24861	0.7
133.02917	0.8
135.04530	1.5
137.02463	53.0
138.02846	0.7
149.85736	0.8
149.99603	34.7
151.00349	2.1
151.04013	2.6
166.02701	0.9
167.00104	0.8
167.03493	1.7
168.00659	85.7
169.01424	5.8
179.03528	1.4
184.00388	0.8
238.03738	0.8
269.06656	2.2
278.19339	1.1
308.36505	0.8
315.18283	0.8
331.06769	1.5
379.11810	1.0
445.09930	11.7
451.09055	1.4
463.10992	13.2
565.11517	0.9
583.13098	100.0
584.13208	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	583.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69540	0.5
58.93139	0.6
59.01387	1.4
59.70883	0.6
69.44904	2.1
71.27290	0.6
72.99318	44.4
75.52724	0.6
79.86761	0.6
80.00369	0.5
80.54709	0.6
91.05550	0.7
93.03521	1.0
95.05009	0.7
101.02440	0.6
105.03458	1.2
107.05045	2.0
109.02968	16.5
121.02971	1.9
123.04543	21.9
133.02954	6.4
134.03743	3.4
135.04546	47.5
136.04840	1.0
137.02458	3.9
147.04459	0.6
148.01666	2.9
151.04057	1.4
153.05571	1.2
159.04501	4.6
161.02422	2.1
177.01924	4.7
179.03513	34.2
180.03911	0.9
185.02478	2.1
185.06094	1.1
187.07663	1.8
196.25851	0.7
197.04572	100.0
198.04904	2.2
198.63893	0.7
207.03000	11.1
211.07712	0.9
213.09265	0.9
215.10748	1.9
217.55414	0.7
223.07622	1.1
225.04109	1.9
225.09119	1.0
239.07129	2.0
240.07765	1.1
241.08752	1.2
243.10312	0.8
250.06506	0.9
251.07187	2.4
267.06738	1.2
269.08194	6.0
271.02557	1.2
295.06146	2.2
299.09277	1.6
300.02780	1.1
309.07849	1.0
313.07291	3.9
327.08960	3.8
359.11368	14.9
360.11682	0.7
385.09540	2.5
403.10400	2.3
565.13660	1.3
583.13348	4.3
583.24017	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	583.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00782	0.6
59.01371	2.0
63.62875	0.5
63.87173	0.6
70.96747	1.1
72.99325	2.9
86.92117	0.7
87.45452	0.7
93.03443	0.6
96.95998	1.8
101.35925	0.6
105.03478	2.1
109.02983	1.5
110.03332	0.7
116.92911	1.6
121.02963	1.1
122.03731	0.6
123.04524	2.6
124.01671	18.8
132.02228	1.5
132.42880	0.6
133.02972	23.1
134.03795	1.4
135.04541	27.1
136.04875	0.8
139.04018	13.9
147.04634	0.8
150.03249	3.7
161.02457	100.0
162.02841	1.8
177.01956	2.3
178.02707	3.7
179.03529	17.2
189.02019	1.0
193.05042	3.6
197.04568	4.0
203.03474	1.5
220.03815	0.8
221.04527	1.1
231.03027	1.7
244.93311	0.7
248.03334	0.7
249.03979	3.5
250.04659	0.9
250.24184	0.6
260.82510	0.6
263.05511	1.3
279.03070	0.9
280.03665	0.7
281.06677	3.4
285.04053	1.6
286.04724	0.8
293.04431	0.6
314.04541	1.1
315.05032	1.3
321.04147	1.2
322.04324	0.9
329.06766	0.8
339.04831	1.1
357.06146	0.8
359.07742	2.4
389.08856	9.3
421.11639	5.7
535.46503	0.6
551.11951	1.7
583.14624	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	583.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36332	0.5
59.01383	2.9
71.01373	0.6
72.99320	3.4
73.02967	0.6
79.61555	0.5
88.98822	1.2
91.05578	0.8
93.87755	0.5
94.88770	0.5
96.96013	1.7
101.02468	0.7
107.05051	2.8
108.02161	0.5
109.02959	11.5
115.80766	0.5
116.92845	0.7
117.03449	0.5
123.00879	0.6
123.04549	1.6
124.01680	17.1
133.02960	5.2
134.03766	7.1
135.04539	100.0
136.04877	1.8
137.02473	1.6
139.04037	4.4
149.02487	0.8
149.04486	0.5
150.03296	1.0
151.03981	0.9
161.02451	18.3
165.05626	0.6
177.01920	3.2
179.03517	79.1
180.03815	2.0
189.01970	0.6
193.05078	1.3
197.04572	3.7
207.03049	0.8
208.03773	1.2
220.03700	0.9
223.06139	2.2
225.05922	0.6
231.96249	0.5
247.02399	0.9
248.03239	0.8
249.04024	1.9
251.03465	0.6
257.04730	0.8
266.04352	4.5
269.04584	2.8
285.04028	1.2
293.06595	1.8
295.05838	0.8
297.04074	2.5
311.07990	1.2
314.04147	1.5
321.03900	0.7
329.06781	1.1
333.09848	5.4
339.04852	1.0
356.05307	1.9
361.09238	1.8
371.07614	1.6
389.08658	1.0
403.10217	2.4
421.11432	8.2
428.07233	1.7
443.09882	23.3
444.10568	0.8
519.08881	1.1
551.11761	1.6
568.12567	0.8
583.14734	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	583.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91463	1.2
57.66883	1.0
59.01385	14.9
60.87051	1.2
62.78016	1.1
63.33705	1.1
71.01389	1.9
72.99323	9.3
83.01341	1.2
84.89254	1.1
85.02917	1.3
88.35962	1.1
96.96018	3.3
98.75232	1.2
101.02441	1.5
109.02941	2.7
113.11021	1.3
121.02994	1.3
123.04530	8.6
132.02112	1.4
133.02980	22.3
134.03676	1.7
135.04546	13.9
137.02448	10.2
138.03200	2.1
139.04062	1.3
143.50981	1.1
149.02448	3.8
150.03235	6.7
151.04031	23.2
161.02463	100.0
162.02818	1.4
167.03461	1.3
177.01923	3.5
179.03502	14.0
181.05103	5.8
193.01433	1.3
195.02985	23.6
208.03714	1.5
209.04550	3.0
212.03406	5.5
227.05621	17.3
235.97054	1.1
321.04114	1.6
349.85092	1.5
389.08810	34.1
421.11478	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	583.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
71.41626	0.4
72.99321	1.9
73.02966	0.4
88.98797	0.5
96.96018	3.0
107.05060	2.0
108.02158	0.9
109.02966	17.2
110.03303	0.6
114.11957	0.5
117.03448	0.8
123.00938	0.7
123.04569	1.5
124.01679	14.6
133.02979	3.8
134.03758	7.9
135.04541	100.0
136.04890	1.8
137.02429	1.4
139.04037	3.5
148.01689	0.8
149.02460	0.6
150.03268	0.9
151.04022	0.7
161.02464	12.2
177.01968	2.6
179.03514	76.4
180.03882	1.3
193.05061	1.1
195.06647	0.5
197.04585	4.2
207.02959	0.7
208.03867	1.1
210.03217	0.4
210.05292	0.4
220.03839	0.9
223.04175	0.6
223.06142	2.5
225.03906	0.4
241.05058	1.1
246.01678	0.7
247.02541	0.7
248.03194	0.9
249.04007	2.0
266.04279	3.2
269.04565	2.3
280.03867	0.6
285.04153	1.0
286.05029	0.5
293.06760	1.1
295.06256	0.7
297.03979	1.6
301.07193	0.6
311.07983	2.0
314.04248	0.5
321.04007	0.7
329.06470	0.9
333.09808	8.9
335.22549	0.6
339.05145	1.2
340.05740	0.7
356.05280	2.2
357.05737	0.6
361.09158	1.1
371.07681	1.3
403.10355	2.4
420.37128	0.4
421.11459	7.8
428.07370	1.8
443.09866	17.3
444.10196	0.8
457.52368	0.5
536.09515	0.7
539.29193	0.5
551.11792	1.0
583.14771	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	583.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25368	0.5
56.24587	0.4
57.03450	5.0
59.01389	9.4
61.98824	0.6
70.18208	0.5
71.01378	0.8
72.99319	3.2
84.66218	0.4
84.93889	1.7
85.02962	0.6
85.44973	0.5
88.98823	0.9
96.96028	4.5
98.21912	1.9
98.95605	2.6
99.04537	6.4
99.92599	17.0
100.93375	17.5
101.02449	1.1
103.00434	0.6
109.02937	0.6
114.94952	0.7
115.92092	26.7
116.92876	100.0
117.92892	2.1
117.93654	0.6
123.04509	1.2
125.02453	3.9
133.02974	2.0
134.03687	1.1
135.04549	3.2
140.92932	0.8
142.94450	1.4
145.02951	1.1
147.02985	0.5
151.04041	1.4
158.93996	1.1
160.89429	0.5
161.02441	5.7
170.93889	0.5
179.03520	1.7
184.91879	1.5
187.02588	0.9
193.05092	1.0
197.04576	2.2
226.96567	0.9
229.40816	0.4
253.04849	0.6
307.08191	0.5
319.10107	0.9
375.64764	0.7
389.08844	1.3
391.93024	0.5
403.21466	1.5
421.11395	1.0
441.30252	0.6
461.13019	2.8
461.19083	0.5
479.13806	11.6
480.14255	0.9
497.14786	4.2
498.15265	1.0
503.13992	1.8
521.14905	5.6
522.14307	0.7
535.00525	0.6
539.16138	6.2
547.13031	7.2
548.13196	0.5
572.64087	0.6
583.14917	13.0
583.23798	0.6
584.15283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46844	0.3
57.03460	0.3
59.01390	2.2
59.35599	0.3
61.98832	0.7
69.46210	1.4
71.01376	0.5
72.99322	0.9
77.10728	0.2
80.81586	0.3
84.93883	1.8
85.02978	0.3
88.38708	0.2
88.98837	0.5
96.96027	3.4
98.95598	1.6
98.96458	0.5
99.00878	0.6
99.92597	13.2
100.93378	13.9
103.00402	0.5
109.02982	0.3
114.93393	0.3
114.94968	0.5
115.92092	17.1
116.65047	0.3
116.92873	100.0
117.92868	1.8
117.93619	0.3
121.02931	0.3
122.03735	0.7
123.00892	0.3
123.04524	0.3
126.94926	0.3
128.92845	0.3
133.02954	1.0
134.03746	0.3
135.04552	1.8
135.42967	0.3
140.92856	0.4
141.93642	1.0
142.94463	1.7
149.02411	1.0
150.03255	2.5
151.04034	0.5
151.39293	0.3
156.92322	0.7
158.93901	0.5
161.02481	2.8
165.05576	2.4
167.67188	0.3
170.93904	0.3
173.92638	0.4
174.93478	0.3
179.03543	0.9
183.94688	0.5
184.91820	2.5
184.95490	0.3
186.93420	0.3
195.06604	1.1
195.97270	0.2
196.95557	0.4
197.04576	0.7
226.96489	0.4
242.95988	0.4
244.97592	0.8
259.96066	0.5
284.96906	0.3
319.10083	0.9
321.64484	0.3
330.97424	0.5
359.07629	0.7
361.10767	0.4
387.14288	0.7
412.44846	0.3
443.11505	0.4
461.12878	2.1
463.14301	0.5
479.13824	4.5
480.14505	0.3
497.14844	3.8
498.14969	0.4
503.13745	1.6
509.14920	0.8
521.14813	3.3
535.19800	1.3
539.15930	5.9
540.16083	0.4
547.12915	1.9
583.14911	12.6
583.24005	0.7
584.15070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66752	0.8
59.01369	1.8
60.41901	0.9
61.98837	1.2
67.66873	0.9
69.03431	1.7
70.95251	1.6
71.01418	1.0
71.05014	3.4
73.02924	1.1
79.05524	1.4
81.03465	2.2
85.02960	8.9
85.70654	0.9
91.01915	4.4
97.02961	17.0
98.15159	0.9
99.04523	2.7
115.04028	39.8
115.92024	0.8
116.92856	2.1
122.03754	1.7
129.85536	0.8
132.90540	0.8
135.04565	1.1
135.11842	6.4
137.09766	9.9
144.26781	0.8
150.03224	1.4
161.02528	1.7
161.09727	2.1
179.10793	100.0
180.11168	2.1
194.43027	1.1
205.08727	37.0
205.10658	1.9
221.11845	1.0
223.09766	20.5
274.43332	0.9
379.15967	0.9
467.19275	90.8
468.19635	5.8
525.98224	1.0
583.23975	70.5
584.24371	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	583.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76490	18.9
53.90101	22.2
54.04089	23.6
59.01377	42.2
60.99333	27.2
75.59099	27.1
84.74257	22.0
88.98808	88.4
98.21872	57.6
99.04549	32.8
105.01952	76.9
132.87163	23.1
150.41612	22.4
229.16168	28.0
455.31812	85.1
513.72107	26.5
526.30219	29.7
583.18787	100.0
583.32098	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55114	2.3
60.99308	9.3
61.03718	2.6
69.09332	19.7
78.95876	3.2
81.40123	2.6
88.98814	74.7
89.02467	3.3
105.23534	2.7
224.06659	2.7
243.87395	2.6
423.32187	3.0
471.34879	100.0
472.35443	5.9
491.31787	15.3
511.34125	86.1
512.34430	3.8
529.35437	6.5
555.33032	37.2
556.33557	3.6
583.32239	47.1
584.33301	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	584.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43262	1.5
61.98837	100.0
67.13769	1.3
67.67297	1.4
68.18198	1.4
69.87180	1.6
72.99330	10.3
96.96024	11.6
98.22636	5.6
123.04575	5.1
133.02971	11.2
134.03798	4.0
135.04549	57.4
145.30244	1.4
161.02460	90.7
162.02760	2.4
179.03506	30.6
180.03935	1.5
195.06628	2.5
197.04562	17.4
207.05771	1.6
229.34052	1.9
254.96825	1.5
341.08838	3.9
359.07748	82.3
478.62628	1.6
521.13043	25.4
522.13147	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	584.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.77702	0.3
70.50621	0.7
72.99335	1.1
77.03971	0.3
96.96025	2.0
109.03008	0.9
117.03439	0.5
119.05125	0.6
123.04532	0.4
133.03003	0.6
135.04543	4.4
136.04851	0.5
145.02997	2.3
150.03195	0.8
161.02478	2.1
165.05643	1.2
179.03540	1.9
179.04930	0.3
197.04625	0.9
295.06204	0.7
307.08325	1.4
359.07825	0.5
409.00797	0.3
521.17059	2.3
539.31409	0.4
585.13135	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	585.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52237	0.5
64.15860	0.5
65.90392	0.5
69.13142	2.9
72.99316	30.4
73.01744	0.5
81.25875	0.5
91.05541	1.1
93.03475	0.7
95.05019	0.6
107.05042	2.3
108.02178	1.0
109.02969	18.8
117.03477	1.0
123.04544	13.2
131.05063	3.5
134.03767	9.8
135.04543	100.0
136.04869	1.9
149.02448	0.8
151.04021	1.5
159.04617	0.6
161.02452	1.5
175.04037	1.0
178.02650	0.7
179.03511	23.3
180.03836	0.7
193.05093	1.5
197.04570	49.0
198.04924	1.2
198.06923	1.2
199.07654	1.5
211.07697	2.0
213.09349	1.5
219.04417	0.6
221.06171	0.6
223.07582	0.9
225.05571	0.7
226.06372	1.2
239.07137	5.3
240.07877	1.0
241.08751	3.1
243.06857	0.7
257.08328	1.4
267.06580	4.4
269.08481	0.6
271.09839	2.0
273.11371	2.6
285.07700	11.6
299.09247	12.3
300.09573	0.7
311.05643	7.5
317.10342	2.6
321.04022	1.4
329.06613	4.1
343.08206	2.6
387.07037	0.9
388.23154	0.6
465.12064	1.2
471.85541	0.5
509.10870	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	585.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39536	0.4
59.12769	0.5
61.97296	0.4
61.98824	1.3
64.05814	0.5
71.41605	0.5
72.99319	21.6
73.08756	0.5
75.20526	0.5
79.02337	0.4
91.05531	1.0
93.03469	0.9
96.96031	1.0
107.05058	2.6
108.02238	0.8
109.02964	21.9
114.19488	0.5
117.03457	0.5
121.03027	0.5
122.03752	0.6
123.04543	10.8
131.05063	0.6
133.03003	0.7
134.03743	6.8
134.04700	0.6
135.04547	100.0
136.04909	1.9
151.04077	1.0
161.02458	1.8
174.03314	0.8
179.03532	20.9
185.02548	0.6
185.06148	0.8
189.05617	1.3
192.87955	0.5
197.04587	38.2
198.05008	0.9
199.07596	0.8
203.03589	0.6
211.07710	1.2
213.05579	0.8
213.09244	1.1
217.05171	0.9
223.07571	1.2
225.05464	0.6
226.06442	0.6
239.07158	3.1
241.08806	2.0
243.06763	1.2
257.08160	1.8
267.06705	2.3
271.09766	1.9
273.11307	3.7
285.07767	3.1
299.09277	18.7
300.09561	0.6
311.05798	3.3
317.10336	2.0
329.06665	0.7
343.08203	7.2
379.65863	0.5
387.07132	3.0
465.12228	1.0
497.14734	1.1
509.11142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	0.4
59.00981	1.9
59.01308	51.4
59.01802	1.7
60.01639	0.6
65.94041	0.5
69.03384	0.4
71.01306	7.1
71.39064	0.6
73.47137	0.5
74.18967	0.5
74.99311	1.4
85.02878	0.8
86.99323	0.7
87.00847	0.9
89.02459	4.3
98.99382	6.8
99.00753	0.6
101.00969	3.9
101.02464	2.8
102.98792	1.7
113.00973	4.3
113.02348	1.5
115.02548	3.1
115.99606	0.6
117.00368	2.2
119.03425	1.0
125.00989	6.6
126.65851	0.6
126.98922	2.8
129.00397	1.4
130.98326	0.6
134.34137	0.6
139.99629	1.2
141.00456	13.5
141.01549	1.3
143.03442	0.9
143.99071	0.8
152.90327	0.5
153.00471	10.7
153.01625	1.1
155.02037	3.9
156.99852	1.0
157.03474	2.3
159.01512	34.4
160.01614	1.4
161.04489	1.2
165.01607	0.7
167.02023	12.9
168.99974	2.4
179.01985	0.6
179.05658	4.0
183.01494	5.2
185.03101	1.0
195.01521	6.1
201.02573	25.9
202.02663	1.7
203.02266	0.9
207.01460	0.6
211.00903	1.0
213.02545	12.6
217.00290	2.0
219.00093	0.5
221.06644	2.0
225.02390	0.8
243.03572	77.6
244.03743	4.2
259.01572	1.5
261.04678	5.7
269.02292	0.5
273.04843	2.2
301.02686	32.3
302.02750	3.1
303.05737	100.0
304.05975	4.9
315.05542	0.6
341.10892	1.1
343.03751	4.4
359.01721	1.4
361.58417	0.5
363.07852	16.8
405.08884	8.0
406.08936	0.6
443.03922	0.6
455.41721	0.7
465.11273	1.5
503.16290	7.0
525.03192	5.0
525.13867	11.9
526.03333	1.0
526.14142	0.7
585.02167	1.3
586.03339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81932	1.0
59.01386	10.1
71.01405	0.8
72.99316	29.3
73.86045	0.7
93.03467	2.9
96.96008	2.1
109.02967	3.1
113.30570	0.7
116.14643	0.9
121.02969	21.7
122.03817	4.1
123.00863	1.0
123.04543	27.5
124.01685	1.7
133.02959	11.5
134.03772	4.2
135.04538	11.7
137.02457	18.3
138.03250	3.2
139.04028	2.2
147.00879	4.8
149.02460	2.5
150.03232	1.7
151.04034	12.7
159.04510	1.0
161.02461	27.5
162.02834	0.8
163.00417	3.1
164.01205	3.6
165.01906	1.8
178.02734	1.8
179.03500	17.2
180.04308	10.0
181.05075	14.0
181.06531	1.3
185.02492	0.9
197.04570	4.7
211.06129	9.6
224.04797	0.8
225.05602	3.3
226.06361	1.0
237.05606	2.0
253.05121	3.7
265.05038	1.5
269.04587	2.7
270.05353	7.9
281.04498	1.0
282.05405	14.5
283.05975	4.0
298.04816	1.0
299.05600	2.1
300.06488	3.9
302.07880	1.3
321.04034	1.9
326.04282	4.1
331.08176	1.1
339.04843	0.9
344.05383	22.8
359.07663	8.8
373.09247	1.4
376.07898	3.6
391.10388	100.0
392.10797	3.1
404.32703	0.8
423.07385	1.8
423.13013	32.9
424.13571	1.1
424.90912	0.8
450.12958	1.0
543.99066	0.8
545.15869	0.9
553.13904	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	585.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79577	0.6
59.01376	1.9
63.26421	0.6
69.31915	3.6
72.99315	23.3
77.04036	0.6
89.03944	0.7
91.02356	0.6
93.03471	2.9
95.05078	1.1
96.96011	1.3
103.63634	0.6
105.03471	1.5
107.05061	1.2
108.02173	0.9
109.02982	2.8
117.03461	0.7
121.02968	16.7
122.03767	7.4
123.00867	1.4
123.04540	21.6
124.01656	1.4
132.02213	3.5
133.02968	39.1
134.03766	5.2
135.04538	20.4
135.05333	0.4
137.02460	16.2
138.03242	2.6
139.04036	2.2
147.00912	3.9
149.02458	6.8
150.03242	16.1
151.04021	11.9
160.01689	2.5
161.02460	100.0
162.02832	2.1
163.00386	3.1
164.01202	3.1
164.04807	1.0
165.01939	1.8
165.05585	16.2
166.06044	0.7
177.01952	1.5
178.02724	3.1
179.03513	26.3
180.04321	9.5
181.05074	13.3
181.06531	1.2
182.05385	0.6
195.06648	9.8
197.04549	4.5
211.04163	1.0
211.06128	11.1
211.08064	0.8
225.05525	2.3
226.06485	0.8
229.05196	0.7
235.04118	0.8
237.05673	1.2
242.05902	1.3
253.04997	4.2
265.05026	0.8
269.04590	2.5
270.05402	5.2
271.05865	1.2
281.04453	0.8
282.05353	10.1
283.06131	2.5
299.05710	1.3
300.06445	2.8
302.07938	1.2
326.04257	3.6
327.05051	1.3
328.13171	1.4
329.10248	0.8
341.10281	1.2
344.05377	16.7
344.12521	1.1
355.08383	1.0
357.06195	1.6
358.06918	0.8
359.07709	11.0
359.14798	4.0
371.15073	2.4
373.09424	1.6
376.07938	3.6
391.10385	92.0
392.10901	3.6
418.10464	0.8
423.13324	0.9
435.99438	0.7
450.13278	2.4
507.20343	2.0
521.10883	1.2
534.41833	0.7
537.21271	6.9
553.13483	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	585.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98190	3.8
59.01381	8.2
69.50729	14.4
72.99316	30.0
88.98809	5.1
96.96019	11.2
109.02984	8.1
121.02970	18.6
122.03809	4.0
123.04515	23.4
129.79083	3.2
133.02980	10.3
134.03682	6.1
135.04567	25.2
137.02464	18.8
147.00887	4.0
149.02454	4.7
150.03232	12.7
151.04021	15.4
161.02477	29.7
164.01241	3.6
165.05591	11.6
179.03502	21.4
180.04301	9.4
181.05035	14.1
195.06664	6.8
197.04549	11.6
211.06120	9.7
253.04678	7.8
269.04578	5.4
271.05972	3.9
272.57126	3.3
282.05457	13.1
301.06985	4.3
308.61743	3.6
321.04083	8.0
338.03244	3.9
339.05054	4.8
344.05344	21.6
359.07880	8.2
359.14523	3.7
391.05594	6.9
391.10367	100.0
392.10773	6.3
423.13123	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
59.68265	1.0
72.99319	24.2
93.03442	1.1
96.96005	1.1
109.02943	4.0
119.01431	1.3
121.02969	18.5
122.03748	4.7
122.87032	1.1
123.00867	1.7
123.04535	24.0
133.02980	10.9
134.03728	4.4
135.04559	13.1
137.02458	21.1
138.03230	4.6
139.04001	2.5
147.00902	4.4
149.02466	4.0
150.03242	5.1
151.04010	11.0
161.02467	26.1
161.17305	1.3
163.00342	3.7
163.92352	1.2
164.01128	3.3
165.01917	2.2
165.05585	5.1
178.02760	2.5
179.03516	15.9
180.04315	8.9
181.05087	15.0
195.03217	1.3
195.06599	2.6
196.97490	1.5
197.04601	2.6
211.06122	8.4
220.48778	1.1
225.05574	3.3
237.05458	1.7
253.04939	4.2
269.04495	2.4
270.05334	5.6
282.05261	14.5
283.06116	2.9
298.04849	1.6
299.30106	1.3
300.06430	3.4
326.04410	3.0
341.06906	1.2
344.05438	20.2
359.07596	6.5
376.07935	3.1
391.10373	100.0
392.10712	4.6
423.13086	23.9
553.13660	3.3
599.23486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41322	1.3
59.01391	6.5
65.17227	1.4
71.01384	6.7
72.99313	4.2
83.01424	2.2
87.00883	1.3
93.03491	2.0
96.96041	1.5
97.02994	1.4
100.39822	1.4
101.02435	2.4
106.00598	3.2
107.01364	1.4
109.02962	4.6
111.00907	1.4
113.02425	1.9
121.02966	31.3
123.00902	4.7
123.04475	1.7
124.01727	1.8
125.02455	1.5
135.04544	13.6
137.02458	12.5
138.03221	8.7
139.00363	1.4
139.04033	5.6
148.11324	1.4
149.02464	20.2
149.87326	1.6
151.03973	2.0
152.79483	1.4
153.05583	25.2
155.03539	2.5
160.01688	1.6
161.02460	2.3
166.99864	4.4
177.01949	86.7
178.02661	4.1
179.03482	5.8
180.04236	1.6
181.01462	14.1
182.02255	14.5
183.03038	2.7
192.04291	43.1
193.05005	3.8
195.02901	1.7
196.03795	12.3
197.04567	86.7
207.06705	8.9
210.05339	1.4
211.06161	15.5
220.64403	1.5
224.03270	12.7
225.04068	3.7
225.07614	2.5
232.96803	1.2
239.05621	100.0
240.05835	1.9
256.20087	1.3
269.06662	19.2
273.42770	1.5
299.07706	36.3
359.09912	5.7
567.17346	22.3
585.18219	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	585.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63133	0.9
58.84716	0.8
67.01909	0.9
70.88650	1.0
71.01393	5.3
71.08168	0.8
72.13899	0.7
73.02937	1.0
83.01397	1.0
85.02953	1.7
88.78663	0.9
94.29099	0.8
95.01424	1.1
96.96028	2.0
101.02428	1.4
109.02941	2.1
113.02503	1.5
121.02981	5.9
123.00896	6.4
127.00370	1.0
135.04555	3.7
137.02461	13.7
138.03284	4.0
139.00359	1.2
139.03954	1.1
149.02495	1.4
150.03197	1.0
153.01974	2.3
153.05576	6.4
155.03494	1.6
165.01945	53.6
166.99857	3.3
168.00693	1.1
168.04283	1.1
179.03558	2.6
180.04297	39.5
181.01384	5.1
181.04982	1.5
182.02263	10.6
183.02997	3.4
183.06674	2.1
195.06641	100.0
196.07068	1.8
197.04561	25.1
210.05363	1.0
225.07809	0.8
225.51021	1.0
239.05698	1.5
243.08804	1.5
288.15350	0.8
295.06317	1.4
311.04312	1.4
326.06406	6.3
341.08804	81.5
342.09100	2.2
427.85666	0.9
585.18347	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	585.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88914	0.4
61.98825	1.6
67.47373	0.5
69.30320	2.0
84.93888	0.6
98.22582	0.9
99.92597	14.7
100.93372	54.2
101.93410	1.1
115.92089	80.7
116.92102	1.0
116.92872	3.5
132.92343	0.6
144.92340	0.5
199.66312	0.4
212.96016	0.5
467.31494	0.7
485.32901	2.9
486.33185	0.9
487.33319	1.9
567.23944	1.2
585.25275	100.0
586.25641	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	585.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29029	1.2
59.45476	1.1
59.52782	1.1
59.76084	1.3
61.98828	4.3
62.96041	1.2
78.95917	1.9
84.93864	1.4
85.88580	1.1
96.96966	4.1
99.92593	40.4
100.93375	57.0
101.93405	2.1
114.99086	1.1
115.92090	98.9
116.92101	2.6
116.92858	9.9
166.48329	1.4
177.57718	1.2
255.79366	1.2
331.88104	1.2
344.81146	1.4
474.28131	1.5
485.32843	4.4
487.33768	6.2
567.24152	7.3
585.25299	100.0
586.25250	9.6
599.23236	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	585.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36767	1.5
61.98843	2.4
69.90202	3.5
78.95918	2.2
85.68719	1.6
96.96954	5.1
99.24304	1.9
99.91994	2.9
99.92595	31.0
100.93373	47.7
115.92092	70.1
116.92130	2.7
116.92852	9.3
155.46602	1.7
172.59944	1.7
190.08104	1.6
232.83136	2.1
235.65152	1.7
445.07697	2.2
485.32651	4.1
487.34262	13.9
505.24771	2.0
567.24420	3.4
585.25250	100.0
586.25745	5.6
599.23236	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	585.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	39.3
61.98825	1.3
69.03461	1.1
69.05893	2.8
69.06292	1.5
71.01392	5.9
71.05022	1.5
72.99318	3.2
73.02959	1.9
82.95415	1.0
85.02959	5.7
87.00868	0.6
89.02454	1.8
96.96020	2.4
97.02953	9.2
97.06607	0.7
98.22617	1.5
99.04530	24.3
99.92597	2.5
100.93374	1.7
101.02458	2.8
113.02470	1.3
113.06101	7.7
115.04028	36.3
115.92086	2.3
116.92880	14.5
119.03583	0.6
121.02979	1.0
123.04547	1.4
125.02462	2.1
133.02945	1.5
134.03802	0.7
135.04526	5.1
141.05627	5.7
151.03990	1.3
153.13136	0.7
161.02458	5.8
163.11301	3.5
179.03531	2.8
181.05109	1.8
187.02585	1.2
197.04590	1.7
207.10283	8.9
301.54126	0.6
333.06042	0.7
345.09564	0.8
369.15530	3.0
387.16711	7.5
391.10464	2.3
404.06961	1.0
405.07452	1.3
423.08578	1.5
456.25696	0.7
469.20837	100.0
470.21161	4.6
549.23608	1.1
585.16473	2.3
585.25604	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	585.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45221	15.7
66.66997	15.2
69.09727	100.0
100.93375	26.0
106.48306	17.2
115.92101	28.4
130.82603	16.7
155.59656	14.4
333.57413	17.9
351.94812	14.5
585.24707	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	585.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.86268	0.5
67.50108	0.4
73.02954	5.2
96.60714	0.3
96.96039	1.0
98.95643	0.6
99.83744	0.4
99.92620	1.1
100.93412	1.2
110.22556	0.4
112.38880	0.5
115.92108	2.0
116.92870	11.4
117.05589	7.1
117.92920	0.4
133.03018	0.7
134.03764	0.5
134.97433	0.5
135.04568	1.2
161.02521	2.0
179.03589	0.7
225.49190	0.4
230.86818	0.4
415.97473	0.5
585.16742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.8
61.98833	2.3
69.39054	0.9
78.91891	1.6
80.91689	25.9
96.67574	1.1
101.02482	1.2
105.82561	1.0
106.76150	1.0
117.60472	1.0
129.03433	1.0
133.03062	0.9
135.04518	1.2
160.61581	0.9
163.29404	1.1
269.70483	1.0
407.29398	1.8
503.33841	100.0
504.34158	4.5
572.18286	1.1
585.34192	64.1
586.34430	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35440	3.3
58.31383	3.2
59.01391	6.5
61.98833	100.0
72.13692	3.6
72.99314	7.6
88.74844	3.2
96.96004	3.6
98.21806	7.6
109.02954	3.4
125.05918	3.7
133.02963	7.4
134.65907	3.4
135.04523	18.6
161.02457	55.3
170.87650	3.8
179.03525	12.1
197.04559	17.0
256.01022	3.2
321.04190	3.5
339.05161	5.5
359.07721	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21832	2.9
53.01031	2.9
59.01385	24.5
59.17620	4.6
61.98838	65.0
72.99319	16.9
107.84320	3.2
109.02941	5.7
113.02489	3.2
123.04534	7.3
133.02927	17.1
135.04546	56.7
161.02466	100.0
179.03542	23.5
197.04564	21.7
250.73581	4.0
277.04749	3.4
295.05994	7.1
321.03973	12.3
359.03241	4.0
359.07730	82.0
373.00348	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	586.121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21832	2.9
53.01031	2.9
59.01385	24.5
59.17620	4.6
61.98838	65.0
72.99319	16.9
107.84320	3.2
109.02941	5.7
113.02489	3.2
123.04534	7.3
133.02927	17.1
135.04546	56.7
161.02466	100.0
179.03542	23.5
197.04564	21.7
250.73581	4.0
277.04749	3.4
295.05994	7.1
321.03973	12.3
359.03241	4.0
359.07730	82.0
373.00348	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	586.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78879	0.8
58.02971	1.4
59.01389	1.0
63.95182	0.8
71.40591	1.0
74.02479	2.6
99.05640	2.5
125.03516	1.0
128.03561	10.0
143.04657	13.1
146.04626	1.7
160.00740	3.1
167.04515	1.1
177.03308	1.1
179.04645	2.8
192.76112	0.8
210.08841	2.7
211.01891	1.1
254.07837	6.5
263.90637	0.9
269.10056	2.7
270.10770	3.6
272.08908	23.6
279.14093	1.2
285.01907	0.8
285.13211	31.9
286.05078	1.4
286.13632	1.6
298.10324	2.2
306.07657	6.3
313.12711	100.0
314.12997	3.4
386.53983	0.8
586.22192	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	587.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01414	0.6
61.98824	1.8
66.45020	0.6
69.12401	4.4
78.95900	0.9
84.93842	0.9
96.96970	0.7
99.92596	16.6
100.93374	60.2
101.93372	1.8
115.92090	100.0
116.92085	2.7
116.92881	7.3
130.77808	0.6
132.92336	0.9
140.02150	0.8
165.72885	0.8
245.24590	0.7
344.05786	0.8
382.20172	0.7
487.34302	3.7
489.34875	1.4
525.26605	1.7
539.24701	0.9
563.83759	0.8
569.25763	3.7
571.23792	2.1
572.87347	0.8
587.26849	86.7
588.27161	9.7
601.24805	15.8
602.24756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99268	1.5
61.98830	5.0
69.13577	3.6
69.13970	8.5
74.43452	1.6
99.92603	19.8
100.93382	57.8
101.93405	1.6
106.54265	1.5
115.92099	100.0
116.92132	2.2
116.92876	8.0
260.94449	1.6
277.25049	1.7
487.34125	5.9
488.35214	1.6
489.35123	4.0
587.26831	96.6
588.27325	10.3
601.24896	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	587.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67439	1.1
59.27149	1.1
61.98830	4.8
77.67713	1.1
95.75820	1.2
96.96938	1.2
98.22672	3.4
99.91985	1.6
99.92603	19.6
100.93372	57.9
101.93350	1.7
113.95480	1.1
115.26241	1.0
115.92087	100.0
116.92142	1.7
116.92870	6.3
119.63750	1.2
141.67078	1.1
152.34615	1.0
210.98036	1.1
218.31491	1.1
219.19765	1.0
284.36581	1.3
334.18008	1.2
358.87430	1.2
457.31140	1.1
487.34006	3.6
489.34839	2.7
525.26831	1.4
569.25812	2.7
587.26813	97.4
588.27411	11.0
601.24646	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	588.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.8
60.01719	2.4
61.01819	1.8
61.98838	100.0
68.22207	1.2
70.97712	2.2
72.99326	1.4
73.02978	1.5
96.96028	3.1
133.02969	3.5
135.04538	5.0
160.13857	1.3
161.02429	5.5
195.06700	1.7
286.23859	1.3
455.26157	1.9
541.78650	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32024	0.2
54.19752	0.2
59.01385	0.2
62.13336	0.2
68.15596	0.2
69.69609	0.3
69.69983	0.4
72.99311	0.2
79.95745	2.8
96.96021	100.0
109.02901	0.2
117.25825	0.2
135.04488	1.1
152.37151	0.2
153.60028	0.2
161.02467	0.7
171.96948	0.2
179.03496	1.3
184.61792	0.2
197.04558	0.3
224.91208	0.2
267.06720	0.2
301.47345	0.2
311.05606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43014	0.2
57.39941	0.3
69.57015	0.2
72.99307	0.5
75.28953	0.3
78.66316	0.3
79.95747	2.9
93.27590	0.3
96.96021	100.0
98.05190	0.3
99.52405	0.3
109.02956	0.4
131.84874	0.3
135.04532	1.1
144.46484	0.3
161.02504	0.4
167.03520	0.3
179.03543	1.9
190.11342	0.3
193.70506	0.3
197.04559	0.5
200.10622	0.3
226.01869	0.3
229.16776	0.3
281.59830	0.3
321.04190	0.4
402.79727	0.3
411.60861	0.3
513.62946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01384	0.8
59.91563	0.2
60.69626	0.2
67.57220	0.2
70.75867	0.2
72.99299	0.3
79.95744	3.3
96.96023	100.0
97.95943	0.3
98.22729	0.4
99.04539	0.4
100.45728	0.3
114.93445	0.3
124.86783	0.3
125.02455	0.5
131.88866	0.3
133.03000	0.4
135.04533	1.0
137.13286	0.3
141.24713	0.3
145.02972	0.3
161.02504	1.3
179.03540	0.3
317.93332	0.3
416.62762	0.3
541.49744	0.3
602.97711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2448
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
58.85699	1.6
61.98829	7.0
69.57520	3.5
69.57918	1.9
75.00865	4.2
81.73091	1.5
98.19479	1.5
98.22598	3.2
100.93343	4.1
102.93179	1.7
108.08250	1.5
115.92081	7.4
116.92104	2.5
117.91884	2.0
133.64978	1.7
153.67773	1.6
167.06348	1.5
195.10107	1.7
207.10257	5.9
223.09746	2.6
253.23392	1.7
291.12332	4.3
299.06808	1.5
320.08347	1.6
388.30743	1.6
410.51019	1.6
436.16525	3.7
463.19147	2.1
466.74847	1.7
481.20010	3.2
482.20663	2.2
483.21588	3.3
488.04568	1.6
495.22244	2.2
511.21283	16.2
512.21735	2.3
513.22906	10.7
529.22296	2.4
589.24432	100.0
590.24933	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	589.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90554	0.5
67.03617	0.7
68.46174	0.6
70.65710	1.0
72.99339	2.6
72.99704	0.6
75.00882	100.0
78.95911	1.0
82.08450	0.5
85.67432	0.5
90.50626	0.5
94.92516	0.8
119.64474	0.6
139.27133	0.5
186.80133	0.5
277.21683	1.6
280.66293	0.6
418.67679	0.7
469.98502	0.7
505.25125	1.0
554.27405	0.6
590.24091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	2.1
75.00881	100.0
98.22656	0.8
170.42955	0.6
203.46733	0.6
242.98372	0.6
277.21918	0.8
335.79385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38430	4.5
59.01385	100.0
61.98825	6.5
68.77251	4.3
70.99500	5.4
71.01387	17.8
72.99319	8.9
73.02984	5.1
78.68703	4.8
82.95390	5.5
83.01406	7.8
84.63055	4.4
85.02975	11.1
101.02467	10.1
102.00687	4.7
109.02921	6.9
113.02483	6.1
116.92883	8.5
133.02992	15.5
134.03763	7.7
135.04572	24.6
161.02495	37.3
166.03380	6.2
179.03531	8.2
197.04558	4.8
485.31055	24.4
503.32312	21.0
588.93921	5.0
589.27295	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	590.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90965	1.2
59.01388	3.9
61.98840	14.8
63.35398	1.5
69.76750	4.8
72.99308	9.6
116.05099	1.9
132.02173	1.6
133.02969	24.6
133.03902	2.5
135.04546	10.8
142.06635	5.5
147.03267	2.3
161.02461	100.0
162.02846	2.0
163.04047	1.4
179.03537	5.6
196.97304	1.4
253.04672	1.7
276.09024	1.8
291.11478	3.9
348.38025	1.6
365.11441	12.4
527.14386	9.3
576.23303	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07870	100.0
69.08276	45.2
96.96046	76.0
98.21910	56.2
104.24789	20.8
208.92082	21.0
289.01321	22.1
307.52658	21.4
474.23734	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	591.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.8
71.42780	19.9
72.99310	14.8
77.78001	15.1
96.96021	19.6
110.16752	15.2
135.04561	100.0
161.02435	22.1
178.80437	15.0
179.03529	43.7
184.85588	14.1
190.98083	45.8
197.04475	17.7
206.97519	37.7
232.95528	17.1
234.96974	34.1
265.11301	16.3
289.96310	17.5
295.06155	62.3
306.95496	54.2
339.05499	18.7
383.99152	21.7
493.11703	23.7
537.10358	23.1
548.85870	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38422	1.0
55.92273	0.9
59.01381	4.3
72.99313	15.5
87.67033	0.9
96.96020	1.4
101.02466	1.6
108.90809	0.9
109.02953	2.1
116.92886	1.1
123.04552	7.5
133.02974	19.5
134.03764	3.2
135.04539	25.0
136.04883	1.0
151.04033	1.4
160.01624	1.2
161.02458	100.0
162.02818	3.4
163.04019	1.7
173.02594	0.9
175.04019	2.2
179.03505	19.4
193.04976	1.2
197.04556	22.7
214.28807	1.0
265.07236	1.7
278.62570	1.1
321.04001	2.0
325.09418	1.1
359.07739	50.0
360.08206	2.3
429.15768	1.3
500.15585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73285	1.4
57.03455	86.9
59.01387	100.0
61.98833	2.2
62.01873	1.5
69.51192	6.6
71.01381	4.4
72.99317	4.9
81.03462	2.9
83.01390	2.0
85.02940	2.5
99.04534	80.2
101.02454	13.9
116.92892	9.3
125.02465	37.2
131.53267	1.5
133.03024	3.7
135.04523	11.9
140.58873	1.6
147.08652	1.5
149.02446	1.5
161.02473	13.5
161.04530	2.1
171.43344	1.7
173.06148	1.6
179.03522	5.9
197.04565	4.8
237.93324	1.6
312.13937	1.5
392.48026	1.7
487.32861	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	591.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86324	2.0
59.01386	27.1
72.99309	16.2
74.78986	2.4
75.61699	2.3
85.50613	2.0
96.72931	2.8
96.96042	12.4
99.08172	9.3
104.81173	2.3
115.80180	2.1
123.04546	5.0
127.07664	7.1
132.02251	2.8
133.02992	19.7
135.04556	16.8
136.01692	18.2
137.02409	2.7
145.08733	62.8
151.00392	2.7
151.04008	19.9
160.01701	7.2
161.02463	100.0
166.02803	12.2
175.04001	5.8
179.03546	17.7
181.05081	16.1
187.09793	27.9
197.04562	19.7
357.09778	4.5
359.07742	29.8
372.12366	3.4
379.92920	2.4
387.14539	42.3
473.23746	2.4
473.30774	2.6
509.98566	2.5
547.27899	3.6
591.21240	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	591.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53949	0.4
57.03453	0.5
59.01385	3.5
71.01412	0.7
72.99312	0.7
73.02966	0.7
82.60279	0.4
83.01400	1.2
85.02943	0.5
87.00885	0.8
89.02488	0.7
93.11974	0.3
96.96040	3.8
98.22726	0.6
98.95583	1.0
99.00990	0.5
99.61809	0.3
101.02422	1.0
107.05054	1.4
107.61021	0.4
107.81445	0.4
109.03017	0.6
116.92873	1.3
120.05825	0.5
123.04520	0.5
132.02237	0.5
133.02960	1.3
134.03758	2.8
135.04543	100.0
136.04890	1.9
142.36115	0.4
145.02986	0.9
149.02461	0.4
151.04019	0.4
161.02455	4.2
161.09729	1.2
161.13382	0.6
162.02832	0.5
179.03513	30.0
180.03917	1.2
187.11308	1.6
189.09193	0.8
190.02779	0.8
197.04594	1.3
205.05127	0.9
205.12387	1.0
207.10201	0.8
223.06099	0.6
223.13388	1.2
231.10341	0.7
249.11409	0.8
265.07349	0.5
267.12421	1.3
290.55005	0.4
291.12463	0.7
297.09793	7.2
314.90668	0.4
333.13602	0.6
341.08795	1.9
353.54562	0.4
359.07660	0.5
411.16693	4.1
487.19653	0.5
529.21021	0.4
547.21881	13.9
547.29865	0.8
548.22247	1.0
591.21454	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	591.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04879	0.7
53.08245	0.8
57.03455	3.0
57.88736	0.8
59.01389	21.6
61.98826	1.2
63.10979	0.8
66.60655	0.7
71.01391	4.0
72.99319	2.0
73.02950	2.1
83.01402	1.8
87.00880	1.7
88.98811	5.6
89.02463	2.5
96.96041	5.0
99.04513	1.2
101.02480	4.5
105.03477	0.9
107.05056	2.4
109.02957	2.0
113.02437	1.2
116.92883	1.3
119.03526	0.8
120.05836	0.9
121.02959	1.1
123.04581	1.2
132.02194	3.2
133.02979	45.9
134.03787	4.5
134.55951	0.7
135.04543	70.3
136.04831	1.1
137.02469	0.8
149.02463	2.2
149.06085	1.6
159.93912	0.9
160.01671	0.9
161.02466	100.0
161.09735	2.9
161.13344	2.6
162.02843	1.8
164.04826	1.8
175.00351	4.6
175.04045	2.8
177.05603	2.1
179.03523	56.8
185.13310	1.1
187.11311	5.4
187.12743	0.9
189.09267	1.6
190.02780	9.6
193.40826	1.0
197.04649	1.7
198.04892	0.9
203.03529	2.2
203.10925	1.4
205.05084	7.1
205.12373	3.3
207.06590	1.1
221.04628	2.3
223.06094	4.9
223.13423	17.2
229.12337	2.5
231.10233	1.0
235.06197	1.4
249.11455	3.8
251.05618	2.5
265.07312	4.8
267.12405	15.2
268.94955	0.8
281.06714	5.1
287.05276	0.8
291.12399	1.2
295.08319	3.4
309.13513	2.4
325.09384	4.4
339.14505	5.1
341.08844	5.6
369.15598	28.9
370.16013	1.4
385.11523	1.0
411.16574	6.3
429.17734	44.2
430.18094	1.8
531.25073	1.5
547.22107	1.7
585.66351	0.9
591.20630	14.4
596.06500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33848	0.8
59.01384	17.0
62.74814	0.7
65.06077	0.7
71.01385	9.2
73.02967	0.9
76.34231	0.7
85.02954	1.7
89.02449	7.3
96.96019	3.8
98.22607	2.7
98.95596	2.4
98.96291	0.8
99.04562	0.8
99.92623	1.7
100.93381	1.1
101.02460	3.6
103.31007	0.8
109.02959	1.8
111.38796	0.9
113.02448	3.8
115.92120	1.3
116.92881	7.1
119.03524	2.8
123.00893	1.2
132.02216	1.2
133.02971	21.8
134.03770	5.1
135.04536	74.4
136.04866	1.9
137.02444	2.2
143.03500	0.8
148.05322	2.6
149.06102	11.9
161.02458	100.0
161.13327	3.8
162.02841	2.4
175.04103	1.3
177.05586	24.9
178.02739	1.6
178.05841	0.8
179.03519	79.9
180.03891	1.5
203.03534	1.9
205.12363	4.2
207.06721	0.9
221.04570	39.1
222.04993	0.9
233.04613	1.3
249.11307	3.4
251.05627	44.1
252.06020	1.2
281.06693	73.4
282.06921	1.7
289.10745	0.8
323.07837	4.3
341.08798	40.0
342.09027	1.5
352.99936	1.8
385.18576	1.5
429.17831	3.8
547.21936	14.4
548.22137	1.3
591.21033	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	591.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.8
69.23358	2.8
71.01383	0.6
74.65131	0.5
85.02981	0.7
93.03464	0.7
95.01401	0.5
96.95999	1.0
101.02458	0.8
108.02187	1.1
109.02976	2.0
113.20186	0.5
121.02985	3.0
122.03755	1.4
123.00891	1.0
134.03760	0.8
135.04538	1.3
136.01682	34.8
137.02495	5.4
149.06082	0.8
151.00410	9.1
151.04028	47.7
152.04770	1.0
159.04564	0.9
160.01590	1.1
160.05313	0.8
161.02438	3.1
163.04095	0.7
165.39682	0.5
166.02731	32.4
167.03426	1.9
175.03987	2.1
175.07697	0.8
177.01956	2.3
177.05591	1.0
179.03639	0.7
181.05087	41.9
182.05380	0.8
189.05653	0.9
190.06448	0.6
193.05093	1.0
197.04697	0.7
205.04985	0.6
205.08743	0.6
242.82027	0.6
243.95790	0.6
271.06305	0.6
286.08923	0.7
311.09543	0.7
329.10321	0.8
339.08786	0.6
341.13828	0.9
357.09875	10.3
369.13531	0.6
372.12149	6.3
387.14536	100.0
388.14926	4.8
547.27667	1.5
591.23712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
69.75556	1.6
70.48608	1.3
71.01390	54.9
71.43223	2.2
72.99299	3.6
73.02962	4.2
75.00848	1.8
78.02440	1.4
79.05530	2.4
79.65190	1.4
81.07099	2.6
83.01401	4.9
85.02961	9.9
87.00875	2.5
89.02455	49.1
95.01398	4.9
97.69835	1.4
98.03714	1.5
99.04523	16.1
101.02455	27.1
105.07172	1.6
107.05093	1.8
111.04502	4.1
113.02455	21.1
115.08752	1.6
119.03523	20.5
131.03532	3.1
133.06580	1.7
135.04517	4.2
143.03499	4.0
147.11829	2.8
149.04504	2.0
152.78195	1.4
161.02521	2.3
161.04547	8.2
161.13370	24.9
179.03998	2.2
179.05608	19.0
185.09720	3.4
185.13287	7.9
187.11295	55.6
191.83076	1.5
203.14444	4.7
205.12338	62.4
219.13962	1.7
229.12343	23.6
231.10297	4.8
234.87144	1.6
247.13362	7.2
249.11334	66.6
250.11693	1.6
259.13333	2.3
273.11450	4.6
291.12460	13.6
303.12326	2.8
321.13461	5.3
351.14551	23.2
385.18448	7.9
411.16617	14.9
429.17706	57.1
453.17572	2.7
471.18753	13.0
501.19751	10.6
531.20844	42.6
532.20959	2.5
591.23029	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	591.23
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85182	1.3
58.00585	1.5
59.01387	100.0
70.69859	2.3
71.01389	44.6
72.99287	1.5
73.02946	3.7
81.07090	1.6
83.01389	2.4
85.02958	10.1
87.00887	2.0
89.02455	50.4
94.79454	1.4
95.01390	4.5
95.05054	1.6
97.02989	1.3
97.12377	1.5
99.04519	8.2
101.02454	25.4
109.43327	1.3
111.04559	1.8
113.02454	26.3
119.03510	27.1
120.05793	2.5
131.03522	2.0
133.06427	1.6
135.04529	4.9
143.03505	5.9
149.04593	2.7
154.92780	1.5
157.06589	1.6
161.02475	1.9
161.04605	7.9
161.09743	1.5
161.13376	20.6
179.03313	1.9
179.05649	18.8
185.13367	3.0
187.11320	50.6
203.14217	1.9
205.12358	57.1
206.12747	1.4
229.12343	12.5
231.10320	4.7
247.13361	4.9
249.11342	75.1
251.34641	1.5
264.55923	1.6
269.07251	1.5
273.11319	2.6
291.12457	4.2
349.54578	1.5
351.14493	2.6
385.18588	13.5
411.16718	17.3
412.16898	2.0
429.17676	49.9
430.18228	1.9
591.22931	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	591.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59996	1.1
58.02974	4.0
61.20209	1.1
69.67658	4.3
74.02491	9.4
74.35867	1.2
74.88046	1.1
75.20706	1.2
82.03003	1.5
83.01410	2.5
87.05653	2.9
96.04568	4.3
97.04102	6.0
98.02482	3.0
99.05676	6.6
100.00414	2.5
105.99722	8.7
106.43923	1.1
108.04570	4.7
110.02492	2.1
112.04063	4.6
112.07677	5.2
113.03561	2.4
124.04051	3.4
125.03682	1.3
125.04848	2.6
126.05605	2.1
127.05161	5.6
137.07185	3.0
138.05617	1.8
140.07198	6.8
142.92375	1.3
143.04610	2.1
152.03554	3.3
155.08275	10.3
160.00792	1.1
165.06712	9.0
169.06213	2.4
181.06256	2.0
183.07800	15.3
215.06714	2.5
225.05283	2.1
227.06758	34.3
259.03958	16.1
261.05521	100.0
262.05817	2.6
301.18201	5.2
313.18192	1.7
321.72168	1.4
331.19202	11.2
362.15613	1.6
363.16010	1.4
591.23853	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12159	4.2
56.47182	3.9
57.31119	3.6
59.01389	100.0
61.98832	7.0
63.09972	3.6
69.10188	26.8
71.01385	12.7
73.02956	9.0
79.11865	4.0
80.10949	4.6
83.01397	7.9
85.02948	9.0
86.57182	4.0
96.02413	4.3
98.22674	8.7
101.02454	13.6
107.74528	4.3
113.02469	5.5
116.92874	10.7
133.02983	5.1
135.04536	14.1
142.72078	4.1
161.02425	8.2
161.04529	5.7
179.03586	6.4
196.23811	4.1
197.04576	4.7
205.49498	3.8
263.21863	5.0
362.47488	4.4
487.32864	43.9
505.33838	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	592.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98875	22.2
69.50307	24.2
69.50585	100.0
78.95919	40.1
87.66573	20.8
152.99692	21.2
161.02452	28.3
188.81256	18.2
219.04042	23.4
268.11505	21.5
580.82086	23.4
593.26947	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	593.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.7
66.67217	2.0
71.01418	3.3
72.70643	2.4
73.02942	2.9
79.75742	2.3
81.03474	8.0
83.01388	3.4
93.03471	3.0
95.05058	4.2
97.02986	5.4
99.04552	9.4
108.02200	8.2
109.02966	100.0
121.02979	11.5
123.04537	5.1
125.02487	11.2
132.02217	4.2
133.02995	5.7
134.03769	7.1
135.04543	12.0
137.02467	29.6
139.03990	3.8
147.04497	3.2
149.02467	7.8
151.04036	3.4
158.76714	2.2
160.01721	9.8
161.02487	10.5
165.01955	45.9
167.03525	71.1
175.04066	13.8
177.02043	7.5
179.03494	5.9
191.03419	5.5
193.01433	42.5
193.05110	4.1
197.04700	3.3
199.03978	3.2
217.05090	11.0
219.03004	3.9
228.17729	2.3
241.05081	4.1
251.95387	2.3
257.04648	4.4
259.06140	7.1
269.19839	2.4
275.05658	3.2
281.55295	2.3
284.03363	3.5
285.04141	20.8
303.05136	88.4
351.27423	2.2
382.16708	2.3
489.10461	16.1
507.11514	7.3
549.12543	78.6
588.85315	2.7
593.19879	8.8
607.86157	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	593.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60826	0.2
59.01389	0.2
69.20834	0.3
69.21235	0.8
77.03984	0.2
77.44925	0.2
91.01931	0.2
98.22691	0.3
113.59317	0.2
120.02177	3.3
121.02974	100.0
122.03298	1.1
135.04543	0.2
153.42126	0.2
165.01958	4.6
180.05829	0.4
181.06609	2.9
192.51692	0.2
197.06113	2.4
207.04466	0.9
207.08212	0.2
209.04573	55.7
210.04840	0.9
223.04031	0.3
225.05571	1.8
249.78763	0.2
257.09833	0.6
285.09265	0.2
301.08832	0.3
313.07184	1.5
329.08002	0.2
357.06155	1.0
373.10962	0.4
383.07657	1.2
401.08762	0.4
417.09940	1.2
505.11395	3.4
545.00281	0.2
549.10425	6.7
593.13098	8.4
594.13733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Datiscin
Peak:m/z	Relative Intensity
60.03683	0.3
63.02412	0.8
65.00335	0.7
68.38407	0.3
69.29954	1.5
83.01395	0.7
90.96796	0.4
93.03458	1.0
107.01392	2.4
108.02154	0.4
109.02961	0.7
117.03532	0.7
131.05060	0.4
132.02202	1.0
135.00908	1.8
135.04536	1.1
137.02423	0.6
143.05067	1.2
145.02950	0.5
151.00365	3.0
153.01932	0.5
156.05751	0.4
157.06610	0.6
159.04533	1.6
163.00391	2.6
165.01913	0.8
167.05083	0.6
169.06573	1.0
171.04442	0.9
174.03381	0.4
181.21852	0.3
182.03886	0.4
183.04517	1.3
185.02554	0.6
185.06163	2.3
187.04041	3.1
189.05554	1.0
190.99881	0.4
195.04576	0.8
197.06078	0.8
198.03120	0.6
199.03990	1.4
200.04703	0.7
201.05504	0.8
211.04054	3.0
213.05598	2.8
215.03481	0.5
227.03520	36.1
228.03961	1.1
229.05058	12.4
239.03589	2.5
240.04315	0.9
241.05122	1.2
243.02916	0.5
255.03008	63.1
256.03674	5.6
257.04565	8.5
267.03033	1.1
283.02591	0.6
284.03293	72.7
285.04062	100.0
286.04416	2.9
311.68491	0.4
327.05057	1.2
593.15173	90.3
594.15454	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	593.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26916	0.5
59.01379	1.6
61.98851	0.5
71.01350	0.6
72.99310	3.0
77.95842	0.5
78.95908	1.2
79.95750	3.5
96.96022	100.0
102.40191	0.6
104.73783	0.5
109.02962	4.8
114.93404	0.7
121.03019	0.6
123.04527	1.8
133.02988	1.1
134.03767	0.8
135.04556	7.1
137.02481	0.5
145.03020	0.6
149.02480	1.3
151.03960	0.6
161.02512	1.7
179.03555	2.1
185.02441	2.8
186.03192	1.1
193.06613	0.6
197.04568	3.3
221.06079	1.1
225.05963	0.7
247.13484	0.7
249.05562	1.7
251.03522	1.0
252.04219	0.6
265.05078	1.5
267.06699	1.2
276.04565	0.6
277.05002	2.5
279.02899	3.7
280.03668	1.1
293.04547	3.0
295.06055	2.8
296.06552	0.8
301.18311	0.7
321.04019	8.4
322.04382	1.1
339.05072	5.4
372.58258	0.6
391.17780	1.1
432.13080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25725	0.7
54.90427	0.6
59.01385	22.1
70.56443	0.7
71.01392	16.5
72.57558	0.6
73.02960	1.7
73.96878	0.7
85.02961	2.6
87.00865	4.7
89.02453	100.0
95.01396	1.3
101.02454	12.6
106.71990	0.7
113.02460	7.8
116.47252	0.8
118.67239	0.6
119.03510	4.3
131.03564	1.2
143.03517	2.2
144.02582	0.8
161.04601	3.6
162.41048	0.8
179.05618	25.4
219.79655	0.7
220.63521	0.8
221.06673	10.5
237.57988	0.8
245.58430	1.0
281.08807	1.5
323.06454	0.8
323.09900	3.0
341.11005	4.0
355.08249	0.7
383.11877	3.3
503.16217	54.7
504.16696	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79071	0.7
55.84076	0.8
56.26235	0.7
59.01381	2.2
71.40859	0.7
72.99315	10.9
79.95751	1.9
89.10453	0.8
93.03452	0.8
96.96022	35.3
98.95638	1.0
108.02174	2.3
109.02962	49.1
121.02930	2.9
123.04538	5.0
129.03380	1.0
133.02948	2.0
134.03804	1.8
135.04538	17.6
137.02417	1.2
143.73079	0.9
145.02956	1.7
147.00954	0.8
147.04512	2.0
149.02448	6.2
150.03249	2.1
151.04008	2.1
157.02939	3.2
159.04478	4.3
161.02444	3.9
173.02446	3.7
174.03154	0.9
179.03529	8.4
181.97513	0.8
185.02444	29.7
186.03246	10.1
191.03531	1.5
193.06616	4.1
195.04530	1.6
197.04564	7.8
197.06117	1.3
201.01933	1.5
207.04388	1.0
209.06134	2.9
211.04082	0.9
211.07541	1.0
213.01949	1.4
213.05547	1.5
219.04610	1.6
220.05215	2.3
221.06128	6.3
223.03923	1.8
224.04721	2.4
225.05586	5.4
229.12354	2.1
232.05293	1.5
233.08536	81.5
234.08867	2.8
235.03975	1.9
237.05557	3.5
238.05937	1.1
239.07173	3.7
247.03999	3.6
248.04802	5.6
249.05586	13.0
250.06219	2.4
251.03514	7.0
252.04350	4.9
253.04881	1.3
260.04718	1.2
263.03445	2.2
264.04169	1.6
265.05026	11.3
266.05804	2.5
267.06641	8.0
275.03549	2.4
276.04272	3.8
277.05081	20.1
278.05786	1.7
279.03015	31.0
280.03693	11.7
283.06262	1.1
292.03778	1.8
293.04572	20.5
294.05090	2.4
295.06116	31.8
296.06418	1.0
299.16467	0.9
301.18100	70.3
302.18430	2.7
303.02972	2.2
311.05679	1.1
319.02499	2.9
321.04056	100.0
322.04440	6.3
327.16025	2.3
339.05106	83.9
340.05341	4.0
345.17007	2.7
471.07224	2.9
495.08170	1.8
495.58704	1.0
507.15491	1.0
507.22351	1.4
519.09137	5.5
549.23395	25.7
550.23627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.6
61.63567	0.5
72.99310	1.2
83.74545	0.5
88.19662	0.5
92.18511	0.5
102.79623	0.5
109.02953	0.9
110.43893	0.5
119.05064	0.9
123.04556	0.8
129.10344	2.4
133.02968	0.9
135.04539	1.5
155.08266	0.7
161.02467	2.7
163.04129	0.6
164.94884	0.6
179.03493	0.7
180.06688	1.8
185.02655	0.9
186.03130	0.6
187.07602	3.7
197.04669	1.2
200.08450	2.3
202.09912	0.7
230.57768	0.7
249.16089	0.8
256.14627	0.9
257.13248	0.9
269.15662	0.7
270.16147	1.2
271.17056	100.0
272.17346	4.6
279.03033	0.9
293.04633	1.3
293.15134	1.0
295.06265	1.1
297.14993	1.2
300.17447	0.7
301.18115	72.5
302.18384	4.4
309.19760	0.9
321.04099	2.6
327.16013	8.1
339.05008	1.4
345.16943	4.4
442.31726	0.8
480.61649	0.7
505.24420	1.2
507.22476	4.9
549.23480	66.6
550.23859	5.5
593.29810	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	593.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	51.0
69.20694	2.8
71.01387	9.4
71.01730	0.6
73.02969	0.7
78.37273	0.5
82.12993	0.5
83.01415	0.8
83.62704	0.5
85.02997	1.9
89.02458	8.4
89.02958	0.7
95.01410	0.5
96.96022	6.1
96.96508	0.5
101.02456	6.8
101.03019	0.7
113.02473	4.1
116.92910	1.1
119.01438	2.1
119.03516	3.3
119.05116	0.8
121.02953	2.9
122.67567	0.5
133.03020	1.0
134.57823	0.5
135.04575	2.4
147.00952	1.8
147.04596	0.8
148.01782	1.4
149.02469	13.5
150.03275	3.0
154.77361	0.5
155.47365	0.5
161.02525	1.1
162.02910	0.6
163.04089	1.3
163.11311	4.5
164.04787	9.3
164.05963	0.7
165.05502	1.0
175.00359	10.9
175.01715	0.8
176.01163	11.6
177.01949	1.4
177.05635	0.5
179.03535	0.7
179.07271	0.9
190.02733	29.1
191.03500	12.3
193.01442	0.5
205.05070	23.7
206.05785	2.0
207.03018	1.0
207.10271	8.6
208.03761	1.2
208.10651	0.7
209.04631	1.7
221.08266	1.2
223.06108	8.4
223.08237	0.6
237.07845	0.6
250.04987	0.8
251.05518	0.8
255.03003	0.6
265.07190	3.9
325.09320	1.2
369.15631	1.4
387.16632	100.0
388.17068	5.1
406.23108	0.6
452.07794	0.6
507.29980	0.6
519.18829	1.5
533.20178	1.4
561.19855	1.9
593.22424	36.6
594.22595	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	593.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45997	0.4
55.01877	0.8
59.01382	6.2
61.98827	0.5
65.00299	0.5
70.55200	0.7
70.55538	0.8
71.01386	5.8
72.99323	1.1
73.02944	1.8
83.01369	1.6
85.02963	2.7
87.00883	1.3
91.01884	2.1
93.03431	1.1
96.96018	19.5
99.00879	0.9
101.02464	2.9
113.02446	1.8
117.03512	0.6
119.01411	5.1
119.05049	1.3
121.02951	3.6
133.02946	1.4
134.03720	1.3
135.04553	6.8
137.06073	2.6
137.09740	0.5
145.04816	0.6
147.00893	5.4
147.04518	1.4
149.02449	15.3
149.06061	0.9
150.03224	1.7
151.04015	0.7
161.02472	6.5
162.03023	0.8
163.03975	2.7
164.04813	16.5
165.01907	1.7
175.00380	35.1
176.00990	1.7
177.01859	0.7
177.05630	1.1
179.03477	3.5
179.07138	2.1
181.05072	7.1
189.01978	1.2
190.02731	90.1
191.03325	2.9
193.01477	1.0
205.05070	91.8
206.05394	2.4
207.06590	0.5
208.03752	1.3
209.04515	2.5
221.04442	1.2
223.06133	22.7
224.06276	0.8
251.05682	1.3
281.06702	3.0
285.04260	0.9
285.07309	0.8
341.08838	1.1
343.10159	1.2
354.70767	0.5
427.07785	0.6
431.19278	0.7
578.23779	1.8
593.26135	100.0
594.26410	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	593.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24831	1.0
59.01384	1.5
69.13883	3.8
69.14284	2.0
71.04975	0.9
75.00880	1.3
78.95913	68.9
96.96971	13.6
98.22684	1.8
144.62013	1.0
150.98111	1.2
152.99608	100.0
164.01857	1.0
168.39259	0.9
171.00642	2.5
223.00133	9.9
241.01228	24.5
259.02310	1.6
277.21768	48.6
278.22061	2.3
278.60028	0.9
315.04898	17.8
593.27405	85.1
594.27777	3.9
610.51819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88891	0.8
56.80883	0.7
59.01373	0.8
61.98825	0.8
67.17361	0.9
70.64673	1.2
78.95909	82.4
96.96970	13.9
106.94322	0.8
116.92864	1.3
123.56197	0.9
135.61655	0.8
152.99600	100.0
171.00674	3.7
209.07484	0.8
223.00111	11.6
241.01193	26.4
259.02197	1.9
277.21753	49.7
278.21960	2.2
285.03711	1.0
315.04898	23.2
333.05878	2.0
342.50156	0.8
593.27386	69.7
594.27502	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	593.355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75981	5.9
59.01388	100.0
71.01385	15.0
72.99317	13.5
73.02930	8.9
84.35947	5.9
85.02935	11.7
89.02419	8.6
101.02426	12.0
106.14339	5.9
113.02457	11.4
115.94746	5.6
133.02994	13.6
134.06081	7.0
134.63362	5.6
135.04556	37.9
139.45403	5.8
148.29237	5.9
161.02484	33.7
162.02890	6.9
179.03484	14.3
197.04509	15.6
227.03429	7.7
284.03336	8.3
285.04120	8.9
294.09644	6.8
351.15866	11.5
383.55267	6.4
387.16617	13.9
413.16205	9.3
489.34344	43.1
507.35190	12.7
546.18042	9.4
561.20538	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55430	0.9
61.98838	100.0
66.53828	1.1
69.70771	1.1
71.01391	1.4
111.00891	1.4
115.00402	1.7
117.68415	1.0
122.19926	0.9
135.04594	1.3
136.95201	1.0
139.00381	2.0
155.04594	1.0
156.00627	2.0
157.01419	3.4
161.02451	1.1
175.02437	3.2
193.05113	1.8
237.70959	1.1
273.46921	1.1
307.08224	10.7
309.06091	1.0
469.13336	4.2
471.11279	1.8
513.12537	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	595.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00800	0.5
52.93898	0.4
59.01387	5.3
65.87255	0.5
69.51981	1.9
71.01395	1.7
72.99319	3.0
73.02943	1.1
83.01376	0.7
84.93881	0.8
85.02963	1.1
87.00844	0.8
88.98831	0.4
94.59783	0.4
95.01431	0.5
96.96020	5.1
98.95615	2.6
98.96217	0.5
99.92593	15.8
100.93378	9.8
101.02449	1.3
103.00390	0.9
111.00911	0.6
113.02460	0.9
115.92091	15.8
116.92874	100.0
117.92911	1.5
122.15015	0.4
125.02412	0.5
133.03026	3.0
134.03769	0.6
135.04527	4.9
140.92900	0.8
141.93617	0.7
142.94452	1.6
145.02960	0.5
149.06216	0.5
151.04031	0.6
156.92323	0.7
158.93951	0.8
161.02448	7.3
162.02756	0.6
179.03499	2.2
184.91814	2.5
193.09348	0.4
197.04558	1.6
229.12273	0.8
244.97632	1.1
259.96246	0.8
298.03152	0.8
313.05270	0.7
329.05280	0.7
331.06525	0.8
347.18848	0.5
433.13446	0.8
433.22653	1.0
473.09180	4.4
491.10391	1.2
509.11203	3.7
509.80164	0.5
515.10236	3.8
533.10919	0.6
535.30945	4.0
551.12268	6.6
553.32294	3.6
559.09082	0.9
595.11285	18.8
595.20410	1.0
595.25928	0.7
596.11951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.131
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.17539	0.4
63.02407	0.6
65.00336	1.1
69.51604	1.8
72.35853	0.4
74.01911	0.3
83.01373	0.5
86.65554	0.4
98.21976	0.7
107.01374	2.3
108.02190	1.3
109.02989	1.2
112.90045	0.4
117.84550	0.4
121.02941	2.0
125.02446	0.4
135.00909	1.0
135.04506	1.0
148.01674	1.6
149.02374	0.5
151.00385	11.7
152.99039	0.4
163.00412	2.7
163.04024	0.7
164.01195	0.9
175.04001	0.6
178.99863	5.1
187.04056	0.6
199.04042	0.4
203.80646	0.4
211.04036	1.2
215.03491	0.7
216.04172	0.7
224.38770	0.4
226.02759	1.3
227.03493	2.4
239.03606	0.5
243.02985	9.2
244.03595	0.7
245.04626	1.0
254.02254	2.3
255.03000	22.4
256.03604	0.7
271.02493	49.0
272.03076	2.7
273.03983	1.0
283.02463	1.1
299.01941	1.1
300.02771	76.4
301.03519	34.3
301.07071	0.6
302.03796	0.8
343.04538	0.9
373.12930	0.5
377.40161	0.4
408.39728	0.4
433.14911	1.2
583.74042	0.4
595.13080	100.0
596.13354	6.3
604.48138	0.4
620.23291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1469
Annotation	Robustaside G
Peak:m/z	Relative Intensity
59.01389	4.6
71.01382	1.7
72.99316	17.1
73.02969	0.9
78.05856	0.5
79.95735	1.5
81.03452	0.5
81.09902	0.4
85.02959	0.6
89.03970	0.8
93.03449	1.2
95.05043	0.7
96.96021	44.0
97.93143	1.3
99.00886	0.6
101.02444	1.5
105.03467	0.9
107.05047	0.8
108.02222	0.8
109.02973	1.0
113.02451	1.0
114.93419	3.6
116.92898	3.4
117.03492	0.7
120.69638	0.4
121.02959	2.6
122.03764	1.0
123.04533	9.9
132.02206	3.0
133.02972	37.8
134.03726	1.9
135.04536	11.1
136.04895	0.8
145.02985	0.7
149.02486	2.9
150.03233	0.5
151.04025	16.5
160.01773	1.0
161.02461	100.0
162.02806	3.4
164.04836	1.5
175.00414	0.6
176.01128	1.1
177.01930	0.8
178.02744	1.9
179.03525	7.0
179.07115	1.2
190.99933	0.5
191.03537	2.0
197.04576	2.0
207.02988	7.7
208.03816	9.4
209.06133	0.7
211.06062	2.7
222.05391	6.4
223.06128	10.4
237.05583	1.2
237.07745	3.1
253.05116	0.9
265.05090	1.3
267.64594	0.5
281.04495	0.5
296.06882	0.6
297.04343	0.6
309.04050	2.4
311.05878	0.8
311.09326	2.2
324.06473	1.3
325.03586	0.5
325.07196	0.8
338.71588	0.5
339.09030	0.6
340.05765	0.9
347.11737	0.7
355.08087	1.0
359.07471	0.6
368.05432	1.2
383.07678	5.3
391.26724	0.8
401.08817	46.7
402.09009	3.3
433.11380	7.6
433.22543	0.6
453.21527	1.0
491.16376	1.1
509.17044	1.6
535.31482	2.9
553.32239	3.1
563.12018	0.9
595.12793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.9
73.54908	5.0
76.19524	4.6
89.00417	4.6
92.10966	5.0
98.21896	16.5
99.72322	5.0
112.64161	5.7
135.04535	6.7
148.01700	13.9
153.05609	13.8
156.67326	4.7
161.02444	6.5
163.04021	37.9
164.04791	10.1
181.05013	14.8
193.05035	12.4
201.58965	5.2
207.06622	5.6
211.06104	12.8
228.35199	5.2
255.02864	6.5
269.08243	12.8
271.02518	12.0
284.10635	7.8
285.11255	9.6
298.08447	5.8
300.02759	18.2
301.03546	11.0
310.08466	7.2
313.10916	11.7
343.11835	62.2
373.12918	100.0
595.13153	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	595.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58155	1.3
54.25961	1.5
57.03426	2.1
59.01387	31.7
61.98849	8.6
71.01387	5.7
72.99304	6.8
73.80743	1.4
79.95764	4.5
82.14443	1.5
84.95136	4.6
85.02937	1.8
88.98808	1.8
89.02467	3.4
93.03452	3.2
96.96027	20.4
98.95603	6.1
99.04529	6.0
101.02409	3.1
105.66669	1.3
107.05038	1.5
109.02954	1.8
112.90414	1.4
113.02489	3.5
116.92876	1.9
117.03469	8.3
118.77929	1.4
119.03516	2.4
119.05041	46.6
121.03000	3.0
123.04604	1.6
132.02150	2.3
132.05849	2.6
133.02982	18.0
133.06609	12.0
134.03731	2.3
135.04539	21.6
145.02974	39.9
147.04520	2.8
148.01649	4.9
149.02473	2.2
150.03253	2.1
159.04382	1.7
161.01082	2.7
161.02461	49.4
161.06088	31.2
163.04019	46.3
163.05405	2.7
164.04396	1.5
165.12865	4.2
177.05592	13.4
179.03523	10.1
187.04048	3.1
189.12871	1.9
197.04526	3.8
197.06207	1.8
205.05081	33.9
207.13965	8.1
209.11856	24.2
225.14932	3.6
229.04909	1.5
235.06131	15.1
236.09647	5.0
251.12840	6.0
265.07193	39.5
269.13965	100.0
270.14236	3.4
287.15097	2.1
321.04056	2.7
325.09341	10.4
339.04916	2.3
373.18851	1.4
387.39960	1.4
389.18256	1.5
402.56082	1.8
434.14517	8.6
449.20428	22.4
595.23969	46.8
596.24786	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93087	4.0
59.01369	8.8
62.40775	3.8
62.71421	4.1
62.88877	4.3
74.28982	4.2
78.95908	69.7
96.96980	10.4
98.22633	11.3
103.01520	7.1
133.03058	4.4
152.99597	100.0
161.02463	13.4
223.00163	4.6
223.03833	5.2
241.01176	24.2
247.78564	5.7
279.23334	66.7
315.04861	21.9
500.66660	4.4
595.28772	92.1
596.28619	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	595.2897
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
54.89579	0.6
78.95913	69.5
82.49881	0.6
85.00462	0.6
96.96968	13.4
98.22768	1.5
150.98047	1.0
152.99611	100.0
171.00685	2.7
223.00166	10.1
241.01207	26.5
259.02255	1.7
279.23325	62.7
280.23660	2.4
315.04929	17.6
316.05188	0.9
333.05997	1.8
595.28973	72.4
596.29016	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	596.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
61.98837	100.0
62.36281	0.3
71.01381	0.9
72.99315	2.6
75.92722	0.3
87.73292	0.3
89.02394	0.4
93.42445	0.3
96.65455	0.3
96.96025	1.8
101.02461	0.5
109.02958	0.7
117.03534	0.4
119.05076	0.4
123.04534	0.6
133.02983	2.8
134.03822	0.5
135.04547	8.5
136.04910	0.8
145.02983	1.8
147.03477	0.3
149.02505	0.6
151.04039	0.5
161.02460	10.0
162.02817	0.6
163.04062	0.6
167.63644	0.3
175.00449	0.4
175.03903	0.4
176.00864	0.5
179.03505	4.0
180.03926	0.6
183.72653	0.4
185.02437	0.4
190.02776	1.0
191.03117	0.5
192.03352	0.4
197.04543	3.0
205.05170	1.2
206.05426	0.7
265.98444	0.4
278.07684	0.4
321.04138	1.1
339.05151	0.5
434.14841	0.4
464.28363	0.4
533.24097	1.3
572.57617	0.4
596.27252	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	597.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
63.42236	1.9
68.18468	1.4
71.89975	1.6
72.99320	23.0
81.03408	1.6
85.02955	5.2
85.77335	1.5
98.21862	2.6
108.50256	1.3
109.02977	28.5
117.03482	2.0
119.05034	2.0
121.02961	4.7
123.04547	8.7
131.05035	2.9
133.03006	2.4
134.03775	2.9
135.04555	54.2
137.02484	19.7
137.08440	1.5
147.04539	3.5
149.06099	2.3
151.00403	7.2
152.00740	2.0
157.06592	4.3
158.03726	4.7
159.04501	2.5
161.02448	3.7
163.03958	2.6
171.04460	1.7
173.02498	3.0
173.06088	29.4
174.03221	3.6
175.04033	13.1
178.99921	2.7
179.03566	17.1
183.04507	3.1
197.04572	28.6
201.01921	3.2
213.05679	2.9
217.04987	4.9
219.02995	5.9
223.07651	2.4
225.05553	5.5
227.03732	2.0
237.05681	1.7
243.03033	3.5
244.03432	3.1
245.03545	2.7
255.02989	12.5
256.03311	7.7
257.03568	7.3
265.04840	1.7
265.08563	1.7
267.10260	7.5
271.02518	19.6
272.02866	12.0
273.03021	13.5
291.06613	2.5
293.08218	20.2
295.06061	5.5
300.02808	28.5
301.03253	34.0
302.03488	32.8
303.04047	10.9
311.09311	25.9
329.10342	2.1
337.07147	6.5
355.08307	34.8
373.09015	2.3
381.06244	1.8
399.07077	4.5
417.08420	3.4
509.14520	1.9
524.50861	1.7
597.13562	100.0
598.13770	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	597.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
59.59275	0.5
62.31485	0.4
63.54544	0.5
69.34925	2.4
72.99319	15.8
91.05504	0.6
93.03526	0.5
107.05040	2.3
108.02221	1.0
109.02966	10.0
117.03517	0.8
119.39030	0.5
121.02948	0.9
123.04547	6.9
134.03754	5.9
135.04544	100.0
136.04892	2.3
137.02434	0.6
145.06606	0.8
147.04523	1.1
151.04027	0.8
157.06633	1.9
160.10727	0.5
161.02486	0.7
173.06023	0.8
175.04034	0.7
179.03523	18.1
180.03908	0.6
183.04477	0.6
185.06009	0.6
197.04576	25.4
198.05055	0.8
198.06876	0.9
211.07664	1.2
213.09172	0.7
221.08231	0.6
223.07675	3.0
224.08476	0.9
225.09123	0.9
239.07161	1.3
249.09283	3.6
250.06520	0.9
251.07234	1.4
252.07898	1.5
265.08740	3.2
267.10260	15.2
268.10684	0.7
269.08228	1.7
283.09872	0.6
285.08517	0.6
285.11438	2.2
293.08231	5.6
295.06018	1.1
311.09262	14.8
329.06674	1.0
329.10303	8.8
330.10815	0.9
337.07220	1.5
355.08307	2.6
373.09033	0.7
408.57727	0.6
409.95020	0.5
491.13434	1.0
553.26660	0.7
597.12738	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	597.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38556	2.5
59.01371	9.6
69.26073	1.7
70.06564	1.8
71.03865	3.5
72.15880	1.8
72.78819	1.8
72.99306	6.9
73.02907	2.0
74.02944	1.9
81.65121	1.8
96.18476	2.3
96.96041	5.8
105.03478	5.4
107.05060	2.3
109.02975	6.9
116.92931	4.4
117.03445	3.3
123.04549	6.8
133.02966	31.0
134.03795	13.6
135.04541	100.0
136.04832	5.8
137.02484	2.6
139.48341	2.1
161.02437	18.2
177.01930	18.5
179.03500	60.0
180.03806	2.9
183.04465	2.8
185.02484	5.7
195.04604	2.4
197.04562	6.4
197.06198	2.1
199.03937	2.1
207.03053	2.2
210.03284	2.8
211.03972	3.6
223.04201	2.3
225.05469	2.5
226.02693	3.5
227.03557	7.7
238.02924	3.1
239.03459	11.1
251.03508	3.0
253.04913	3.9
254.02287	4.4
255.03000	18.5
256.03760	2.8
265.05020	3.8
266.02219	9.1
267.03015	10.7
267.06778	2.1
269.04529	3.0
279.03003	5.8
282.01620	2.8
283.02512	10.0
294.01715	2.7
295.02533	6.7
295.05835	3.4
297.03903	13.6
298.04822	5.5
314.04407	4.3
321.04025	10.4
325.03537	10.3
326.04391	20.9
327.04999	10.5
339.05075	3.7
342.03757	3.4
353.03018	42.8
354.03784	47.2
355.04669	23.0
357.06149	6.8
371.04062	8.6
372.04822	2.7
375.07520	2.7
385.05566	12.9
403.06812	10.7
509.27371	3.3
533.07318	53.0
534.07623	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	597.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21458	0.5
59.01393	0.9
64.91145	0.6
65.17385	0.6
69.21859	0.6
69.81255	1.7
72.99315	2.4
73.02964	0.7
96.96039	1.9
98.22630	0.7
105.03492	0.8
107.05035	1.4
109.02969	2.2
117.03472	1.3
123.04510	1.3
124.01675	2.1
133.02979	8.1
134.03757	8.2
135.04539	100.0
136.04865	1.2
161.02423	5.6
162.02721	0.8
166.04262	0.6
177.01955	2.1
178.02734	0.6
179.03513	87.5
180.03853	1.9
182.03755	0.9
183.04588	0.7
185.02412	1.5
186.11589	0.6
191.55800	0.5
193.05008	3.4
197.04558	3.5
197.06136	0.9
198.03232	1.1
199.03998	1.3
201.01999	0.7
209.02426	0.7
211.04002	2.0
213.05504	0.8
217.78101	0.6
221.05942	0.5
223.04005	0.8
225.05522	1.5
226.02756	1.5
227.03465	2.7
237.01982	1.0
237.05653	1.0
238.02771	1.7
239.03477	3.0
239.58334	0.6
240.04167	0.6
250.26680	0.7
251.03448	1.3
252.04178	0.7
253.01656	0.6
253.05032	2.7
254.02289	1.2
255.02995	3.7
256.03699	1.0
257.04575	1.0
265.04861	1.0
266.02188	2.1
266.05051	0.7
267.02969	3.5
268.07376	0.9
269.04568	1.8
271.02383	0.7
271.06281	0.6
272.03561	0.8
279.02832	1.7
280.03644	1.1
281.04544	2.8
282.01624	1.2
283.02457	2.2
283.09604	1.3
292.34885	0.6
293.04504	0.9
294.04974	0.8
295.02628	1.2
295.06097	1.7
297.03998	7.3
298.04749	1.8
299.01898	1.0
309.03995	1.7
311.05545	0.9
313.03644	0.7
313.07043	3.0
314.03821	0.8
315.04950	0.6
321.03918	3.0
322.04532	0.7
323.05527	0.7
325.03528	4.5
326.04370	4.6
327.05020	1.4
329.06628	1.6
339.05066	2.4
353.03052	14.1
354.03900	6.6
355.04453	1.9
357.06027	1.8
367.04517	1.2
368.05203	2.0
369.02448	1.0
370.03168	1.6
371.03949	2.6
382.23755	0.5
384.04861	2.2
385.01105	0.9
385.05692	12.7
399.07175	3.7
402.05826	1.3
403.06619	1.6
412.46182	0.8
417.08194	2.2
435.09134	0.6
519.46307	0.6
533.07379	5.2
535.25311	0.9
547.08881	5.3
564.08990	2.5
579.11523	6.3
597.13348	1.0
597.22601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90428	0.7
59.01386	1.4
61.98843	1.3
69.11802	5.4
71.01399	0.8
72.99312	3.3
86.75744	0.8
109.02963	4.2
121.02956	2.3
123.00878	3.8
123.04568	1.4
133.02965	1.0
135.04556	9.6
137.02458	11.6
138.03223	1.2
149.02490	1.9
149.06117	5.0
150.03204	1.1
151.00371	16.5
151.04056	2.1
152.01202	1.7
152.04800	2.1
153.05624	2.5
161.02446	0.9
162.03279	1.0
164.04662	0.8
165.01968	1.3
166.02731	55.7
167.03296	3.2
172.42577	0.8
173.06133	1.2
175.04050	2.1
176.04768	1.0
177.01941	2.4
179.03510	2.2
181.05081	69.8
182.05386	1.0
189.05600	0.7
190.06346	1.7
191.03468	1.1
192.04315	1.1
193.05119	2.4
197.04578	3.2
203.03403	0.8
205.05116	0.8
205.08748	1.2
207.06696	1.3
209.04573	1.4
219.02951	0.9
223.07683	1.0
237.04080	2.5
267.10397	1.7
293.08313	1.1
297.04089	1.0
311.05701	1.5
311.09302	2.6
312.06522	1.3
327.08691	2.8
329.10416	1.4
341.10269	1.6
342.11111	4.6
355.08279	1.2
356.12753	1.5
357.13458	7.6
359.11523	1.7
363.00549	0.8
375.14496	2.2
387.10846	12.9
387.14813	3.4
402.13202	5.2
405.15576	10.7
417.15591	100.0
418.15768	5.6
435.09378	2.0
435.16772	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26639	2.0
55.98120	1.7
59.01384	69.5
72.99301	11.0
85.02966	2.6
96.96002	3.5
109.02937	10.1
121.02943	7.2
122.03734	4.8
123.04561	4.4
133.02934	3.2
134.03784	3.5
135.04543	43.4
137.02403	3.5
146.03740	11.2
148.46034	2.6
149.02438	43.5
149.06104	2.6
150.03259	54.3
151.04027	2.3
161.02393	2.9
161.06033	4.0
163.04021	2.4
164.04776	17.5
165.05582	74.0
166.02670	4.0
171.11855	2.0
173.06094	4.6
175.04048	3.2
179.03546	9.8
179.05678	2.9
179.07172	30.1
180.04303	4.2
181.05148	3.0
195.06641	89.0
197.04530	12.9
204.82626	2.1
267.10226	4.1
293.08173	6.6
311.09271	8.6
312.10022	24.7
323.08157	1.9
327.12396	100.0
328.12671	4.5
329.10150	4.2
337.08975	2.4
341.23618	1.9
355.08313	5.5
375.14413	25.8
381.05762	2.0
417.15411	2.5
435.09204	2.4
461.14859	2.8
597.18567	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	597.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	59.2
69.24514	5.1
69.24917	3.1
72.99294	3.3
78.95910	1.7
96.95987	1.9
98.21893	2.6
109.02975	3.6
115.77797	1.6
121.02948	2.0
122.03783	6.6
123.04633	1.6
133.03006	1.7
135.04546	12.6
137.02393	2.1
146.03772	10.5
147.04591	1.5
148.97076	1.3
149.02425	14.6
149.04327	1.4
150.03236	65.5
151.00310	1.8
161.06049	4.6
164.04820	11.8
165.05583	92.9
166.02722	8.5
173.06169	1.9
175.03947	1.5
179.03528	2.5
179.07150	33.2
180.04308	4.3
181.05066	8.3
195.06642	100.0
196.06987	2.2
197.04575	3.0
230.71550	1.5
267.10123	2.6
293.08127	1.5
311.09259	3.0
312.10159	2.5
327.08936	2.5
327.12378	16.4
329.10181	1.6
355.07993	2.0
357.13544	3.6
375.14487	16.6
387.10593	1.8
405.15720	4.0
417.15405	7.1
616.26868	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	597.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53112	2.1
54.22293	2.1
55.01861	2.1
59.01385	94.9
71.01390	38.5
72.99317	4.9
73.02952	41.7
83.01392	9.1
85.02976	14.8
87.00855	2.5
89.02466	16.8
93.03465	3.3
95.01384	4.9
101.02450	35.9
109.02927	3.9
113.02451	21.2
119.03457	5.1
121.02938	8.1
122.03723	8.8
123.04467	2.5
125.02464	2.6
131.03505	2.2
133.02983	3.7
135.04523	23.6
136.01660	3.2
137.02441	2.4
143.03539	5.1
147.04536	3.1
149.02452	39.3
149.04497	5.1
149.06134	3.4
150.03242	81.8
151.03828	3.7
161.02551	2.3
161.04604	12.3
163.17073	2.1
164.04791	8.3
165.05586	71.9
179.03534	4.3
181.54504	2.1
195.06650	35.2
197.04572	6.1
221.06602	5.7
243.73946	2.2
267.10172	4.2
311.09149	3.5
327.12454	10.5
330.11145	2.9
345.13522	20.5
489.17712	100.0
490.18091	4.7
507.18573	38.1
508.18814	2.8
537.19751	4.5
549.19946	37.8
555.20935	4.8
597.22034	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	597.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83046	3.0
57.01450	2.9
57.72641	3.1
59.01400	3.6
60.99316	13.0
70.26204	3.1
71.05013	4.1
78.95926	4.8
79.56103	3.2
81.40114	2.8
88.98814	67.4
89.02422	4.0
96.96035	3.4
135.04550	9.0
205.30936	3.6
425.30600	3.8
467.31583	21.1
469.29285	3.9
485.32767	96.6
486.32883	7.4
491.27802	37.8
507.31082	9.7
517.17133	3.3
525.32019	100.0
525.39539	6.8
526.32739	4.8
543.32867	8.3
569.31049	61.3
570.31781	5.4
597.30298	64.7
598.30823	5.4
618.75409	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	597.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.96473	2.0
76.99055	1.5
78.95924	3.9
85.00455	1.5
91.49194	1.6
98.21834	3.9
103.00822	3.6
103.01511	72.0
135.04576	2.0
152.99648	7.1
162.37802	1.6
185.78401	1.8
194.60651	1.7
228.85185	1.6
280.23819	1.8
281.24231	1.9
471.34790	21.4
472.35342	2.5
508.86444	1.7
553.35406	6.4
597.21716	2.5
597.35449	75.0
598.35541	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	597.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
69.86115	2.0
71.27818	1.7
71.42343	1.9
73.65218	2.2
83.97707	1.9
103.01511	75.1
111.77963	2.2
135.04552	2.3
151.67470	2.0
224.33090	1.9
471.34814	26.0
472.35400	4.4
553.34973	10.6
597.21667	3.5
597.24420	3.5
597.35260	64.7
598.35242	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	598.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73245	1.3
55.78429	1.5
57.46008	1.3
58.02980	9.2
70.02982	2.0
72.99304	1.8
74.02487	15.8
79.68026	1.3
86.02504	6.8
86.99123	2.0
87.05663	3.9
90.00172	1.6
91.53198	1.5
97.04090	2.0
98.22630	3.3
99.05663	13.2
100.00444	1.5
101.07234	2.4
109.04108	2.5
112.04042	1.6
116.01780	2.1
116.92871	2.9
127.05183	3.8
128.03560	43.2
133.02988	2.4
135.04538	4.6
135.05644	4.0
141.06726	3.2
143.04636	53.8
146.04610	5.1
153.06729	4.3
160.00735	14.2
161.02449	4.5
166.09869	2.9
167.04634	4.2
171.39799	1.4
177.03452	6.3
179.03383	1.6
179.04706	10.9
210.08815	12.0
221.42805	1.4
254.07837	21.9
272.08908	33.6
288.06564	10.9
306.07690	100.0
307.07773	2.2
404.97333	1.7
578.92767	1.4
598.28467	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	599.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	68.3
69.57453	0.7
69.99055	0.9
69.99368	1.1
88.57951	0.7
101.59811	0.7
115.27195	0.6
126.60900	1.0
132.98187	0.8
134.04759	1.0
151.58072	0.6
157.03526	1.7
158.49847	0.8
159.01535	1.5
165.16675	0.8
174.99263	24.1
201.02554	19.7
202.02867	0.7
217.00314	100.0
218.00586	1.0
222.36844	0.7
222.99504	1.1
272.81757	0.8
359.01498	44.5
360.01694	1.5
374.99246	15.3
446.17316	0.7
456.29910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83160	1.8
59.01356	3.2
61.35395	1.8
61.52254	1.9
71.07485	2.5
72.99308	3.6
81.49757	2.0
96.16293	1.9
96.96017	14.3
109.02944	3.1
111.00890	6.6
134.03740	9.3
135.04535	100.0
137.02525	3.1
158.03737	6.6
160.01669	3.1
161.02477	4.7
171.04579	2.8
174.03230	7.4
177.01982	2.5
179.03506	58.4
185.02335	3.1
186.03212	3.6
189.01933	3.5
196.05222	2.4
197.02431	3.4
198.03214	4.7
199.04028	4.4
202.02740	14.2
203.03412	3.5
206.02037	2.6
207.03036	4.3
211.03972	3.2
213.01950	9.2
213.05577	3.9
214.02609	11.6
215.03491	4.2
216.00685	2.7
216.04237	2.4
223.04172	2.7
225.05505	2.9
226.02701	5.4
227.03535	7.5
229.01405	5.6
229.05173	2.3
230.02193	29.8
231.02953	6.6
240.04240	4.5
241.01469	5.6
241.05078	6.5
242.02170	15.5
243.03006	7.7
244.03651	2.2
245.04483	4.5
250.02673	3.1
251.03455	3.9
252.04225	4.8
253.01419	3.9
254.02245	7.0
255.03047	11.3
256.03876	2.6
257.00980	3.1
257.04623	5.2
258.01703	29.3
258.05267	8.2
259.02466	8.3
259.06165	2.7
260.03452	4.8
268.03766	7.2
269.01004	6.9
269.04578	5.5
270.01694	7.9
271.02423	3.8
273.04089	13.1
273.07571	2.8
274.04788	3.3
282.05377	3.9
283.06192	3.0
284.03247	8.2
285.04013	18.6
286.01370	5.4
286.04858	3.9
287.02148	11.3
288.02734	3.1
293.04590	4.4
295.02567	2.6
296.03278	6.7
299.02325	2.3
300.06192	2.8
301.03601	4.6
301.07074	4.5
302.04300	8.0
303.04987	4.9
311.05579	8.3
312.02576	2.6
314.04465	4.8
316.06018	2.7
317.06665	3.8
327.05304	2.7
328.05896	17.4
329.02380	2.2
329.06494	3.6
334.06998	13.9
343.08359	5.9
355.04681	4.9
361.09320	2.8
369.06342	4.1
372.04849	32.1
373.05609	7.6
377.08768	4.4
387.07257	80.1
387.12277	3.8
405.08255	21.8
419.09866	81.5
437.10925	75.4
438.10605	2.5
497.20404	2.3
599.14044	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	599.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84901	7.1
59.01387	100.0
61.98831	19.4
66.58772	7.8
68.12769	8.2
70.53010	16.1
71.01379	41.7
71.20356	7.3
85.02961	7.6
86.88343	8.1
87.00902	10.2
89.02454	43.2
96.96018	61.8
101.02467	30.7
105.63812	7.3
113.02499	13.3
119.03526	15.0
121.03055	9.8
133.02928	10.8
134.03795	10.6
135.04533	31.0
142.54520	7.5
145.02968	8.4
160.01768	11.6
161.02502	45.2
162.03244	9.1
175.04036	24.2
179.03494	11.5
193.05072	8.8
197.04590	8.5
247.57684	8.4
249.11441	17.3
264.94901	8.9
291.12421	15.6
308.30548	9.2
351.14322	9.3
357.11646	14.9
363.92987	8.6
387.16592	61.7
428.94189	8.9
563.21332	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.8
57.03444	7.0
58.00612	2.7
59.01385	100.0
60.27645	2.2
66.60781	2.0
69.03461	4.6
69.21695	11.2
69.22057	4.0
71.01388	88.1
72.99316	3.8
73.02956	35.7
78.62652	1.8
81.03473	4.9
83.01392	12.4
83.05014	6.5
85.02962	28.8
87.00911	11.1
89.02455	43.2
93.03480	2.2
96.96013	16.2
97.02950	5.0
98.22581	4.7
99.00914	18.4
99.04520	4.4
101.02457	40.6
107.05051	2.4
109.02963	5.5
111.04559	12.0
113.02467	19.0
119.03506	4.3
123.04546	2.4
124.01672	2.8
125.02447	7.2
128.55412	2.2
131.03525	39.7
135.04535	7.8
137.02490	4.9
149.04584	19.5
149.09732	2.7
150.03217	2.4
151.03937	2.3
161.02481	5.0
161.04616	4.8
163.07639	2.8
163.11336	2.1
164.89825	1.9
175.11220	2.7
179.10748	3.3
189.09195	4.2
189.12767	5.7
191.05621	46.5
191.14394	7.0
195.10056	2.3
201.09177	7.3
201.12799	5.3
203.05577	3.9
205.08672	2.7
212.08452	19.5
214.09943	3.3
215.10722	3.0
217.12321	18.0
219.13899	12.2
227.10805	6.2
229.08641	7.9
229.12405	2.2
230.09470	17.2
231.13872	3.4
233.06715	14.3
233.11880	3.0
235.13463	3.3
243.10246	2.1
243.13875	1.9
244.11064	10.1
245.11841	95.1
246.12177	4.0
247.13399	7.0
259.13351	3.5
261.11557	2.3
262.12091	3.2
263.12915	40.9
269.11850	4.2
287.12952	12.0
299.12918	3.3
321.04068	2.7
324.52829	2.4
389.16022	15.0
407.17267	10.6
419.17282	2.8
449.18289	11.2
467.18994	9.2
521.19983	6.1
539.21362	20.4
557.22565	3.2
581.22137	12.0
599.23242	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	599.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71031	1.1
59.01384	84.9
61.98832	1.9
69.24100	7.5
72.99330	2.9
82.95456	1.1
96.96019	12.1
101.02448	1.4
106.46040	1.3
116.92862	4.7
121.02955	2.8
122.03735	7.1
123.04536	1.5
133.02986	1.8
134.03743	1.7
135.04529	5.1
146.44499	1.1
149.02443	20.3
149.06125	3.2
150.03238	58.3
161.02431	3.8
164.04779	6.1
165.05579	85.3
166.02676	1.3
166.06171	2.5
179.03554	1.6
180.04311	5.1
193.04991	1.1
195.06641	100.0
196.06932	1.5
197.04539	1.7
219.43213	1.1
224.64656	1.3
233.18521	1.4
273.06125	1.4
314.11636	7.5
329.13962	32.1
330.13992	1.8
346.30893	1.3
377.16064	42.1
378.16516	1.6
419.16382	1.5
486.82452	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28687	4.2
56.89133	4.9
59.01369	4.3
60.23658	4.0
64.40731	4.8
69.32979	21.2
80.49384	4.1
98.21896	10.6
109.02962	55.8
112.58050	4.6
135.04547	9.2
149.02415	4.8
174.50768	4.2
176.25897	4.4
179.03513	6.9
185.02417	30.3
186.03186	7.3
197.04616	8.4
246.30034	5.0
267.06677	8.3
269.08340	5.5
277.04980	12.0
279.02966	11.1
280.03876	7.3
293.04553	7.3
295.06110	68.7
339.05075	100.0
340.05112	6.6
549.18933	5.1
570.33252	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	600.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.8
61.98835	95.7
69.27721	1.3
71.40981	1.7
72.99280	1.7
80.34933	1.5
80.91693	1.9
82.03792	1.5
96.96027	6.1
99.92593	1.7
101.02452	1.4
113.02473	2.9
116.92863	9.7
117.03519	1.9
121.02975	1.9
132.02242	2.9
133.02969	29.5
134.03752	2.4
135.04553	25.3
145.02966	4.8
147.04480	2.4
149.06148	2.4
161.02467	100.0
162.03227	5.4
163.03979	3.0
175.04031	2.1
177.05540	7.4
179.03517	22.3
197.04669	1.8
221.04572	7.6
235.06139	2.7
243.84435	1.5
247.93964	1.6
248.67912	1.7
251.05661	5.0
281.06543	8.3
323.08011	1.6
341.08789	6.2
366.99814	1.5
479.97284	1.6
498.17148	2.3
519.15131	55.5
520.15479	3.4
537.16180	58.5
538.16339	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.8
58.23443	1.4
59.01386	13.8
71.01373	3.4
72.99306	4.0
73.02942	1.7
73.64430	1.3
82.06632	2.8
96.96001	2.4
97.80736	1.4
98.22803	3.0
99.04527	2.4
101.02475	1.9
109.02988	2.3
113.02439	1.9
116.92877	3.4
125.02474	3.7
130.08774	9.3
133.02980	28.2
134.03769	3.0
135.04539	44.5
136.04784	2.1
153.10362	12.6
161.02463	100.0
165.00227	1.8
171.10269	4.4
173.96936	1.7
179.03526	35.8
194.02721	1.9
205.01828	1.5
206.02782	3.7
211.13519	1.9
220.30688	1.4
222.05962	3.9
233.01553	5.5
234.02342	9.4
246.05957	3.6
248.03885	2.1
261.08209	3.0
285.68195	1.6
310.03952	2.1
333.12766	16.5
349.12646	1.9
363.10172	2.4
377.11807	10.7
395.12830	27.7
439.11768	16.4
601.15021	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	601.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65090	7.4
53.30365	7.7
57.80902	7.6
59.01385	100.0
69.33677	18.7
69.34084	27.4
71.01385	38.8
73.02939	23.5
75.21401	9.1
83.01403	9.7
85.02943	21.8
89.02467	14.8
96.64376	9.4
101.02470	22.7
109.02937	15.3
110.86725	10.4
113.02434	23.9
125.02440	13.6
135.04567	13.7
149.06133	11.7
156.40089	9.5
161.02444	9.6
311.11441	20.4
371.13623	23.0
411.26324	11.4
517.19324	45.4
559.20148	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02673	0.7
55.01876	0.8
57.03453	2.0
59.01387	100.0
69.03464	1.8
69.20775	2.8
69.21201	2.2
71.01390	36.2
72.99323	1.7
73.02956	23.3
75.00895	0.8
81.00430	0.7
81.03466	2.8
83.01390	7.2
85.02464	1.4
85.02962	17.4
87.00888	11.6
88.98866	0.9
89.02464	13.1
95.01401	4.9
97.02979	5.1
99.00890	2.6
99.04539	2.3
99.92587	1.3
100.93378	1.5
101.02450	20.0
103.04014	1.2
109.02962	9.1
113.02456	31.7
116.92872	5.6
119.03534	4.5
121.03065	1.0
122.03734	1.1
123.04519	1.0
125.02467	7.0
126.03278	1.6
127.04046	8.1
131.03496	1.5
134.03766	13.2
135.04549	2.7
137.06061	1.4
141.05580	0.9
143.03503	3.9
149.06087	10.4
151.04018	0.9
152.04796	4.0
155.03539	4.1
158.25673	0.9
161.02484	1.9
161.04581	4.3
162.03185	1.0
163.06142	1.0
167.07184	5.5
169.05089	0.9
177.05649	0.9
203.05621	4.7
249.33167	0.8
301.10861	1.4
311.11417	26.7
329.12427	12.9
353.12445	13.0
371.13516	31.0
372.13974	0.9
413.14725	2.5
421.14935	1.9
439.16193	0.9
457.17242	6.1
463.16089	3.5
475.18289	7.8
481.17227	2.2
499.18307	15.1
500.18582	1.0
517.19312	50.1
518.19580	2.4
559.20325	17.4
560.20636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36674	1.3
59.01386	100.0
69.03431	1.5
69.13671	2.1
69.14076	5.4
71.01392	40.6
72.99313	3.0
73.02951	26.7
80.82339	1.1
80.91710	1.4
81.03462	3.8
83.01387	6.9
85.02966	18.6
87.00881	11.4
89.02454	16.0
95.01380	3.8
96.96014	1.5
97.02946	4.2
99.00877	2.4
101.02448	18.3
102.48549	1.2
109.02984	10.4
113.02469	34.2
116.92853	3.0
119.03511	5.7
123.04605	1.5
125.02475	8.4
126.03289	1.3
127.04016	7.0
131.03447	2.2
132.70415	1.4
133.02904	2.7
134.03758	12.1
135.04544	6.9
137.06110	1.3
143.03542	3.3
145.73079	1.2
147.04494	1.1
149.04955	1.9
149.06065	11.8
151.04091	1.1
152.04762	2.5
155.03520	3.0
161.02429	9.5
161.04601	2.2
167.07138	5.8
179.03537	2.3
197.04530	1.7
203.05592	3.7
232.69690	1.4
244.09019	1.2
254.48656	1.2
301.10730	1.3
311.11414	27.6
329.12439	12.6
353.12518	13.8
371.13452	31.2
413.14438	2.5
421.14734	1.8
435.59662	1.3
439.15936	2.3
457.17230	5.7
463.16000	4.5
475.18109	7.6
481.16833	2.0
499.18234	15.4
517.19342	49.7
518.19440	2.8
559.20233	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	601.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31472	43.9
56.12555	43.8
56.16644	42.1
59.01383	73.0
60.78528	46.7
70.66000	100.0
71.85329	48.0
77.13505	46.4
79.67688	53.3
93.45677	56.4
113.83920	49.2
119.64359	52.7
161.02365	52.3
208.49158	50.2
281.62836	45.0
293.60016	50.4
332.27280	43.9
367.17133	47.4
371.60175	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79890	21.6
66.03346	18.9
69.43307	37.8
69.43659	93.2
73.02946	39.7
99.04593	30.8
100.69115	18.3
106.63542	18.0
117.05596	100.0
161.02411	26.1
171.10277	68.1
211.13428	48.8
220.12756	20.1
306.51913	19.1
317.21280	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34853	0.6
57.03444	1.5
58.56106	0.5
59.01180	0.6
59.01393	6.3
71.01388	2.4
71.43047	0.7
72.99314	1.9
78.95914	0.9
79.95752	3.5
89.02466	1.4
96.96024	100.0
97.93109	0.7
99.04536	0.7
101.02445	2.0
109.02991	0.9
113.02475	1.4
114.93433	2.1
121.02994	0.9
123.04507	1.1
132.84145	0.6
133.02962	2.6
135.04541	5.3
161.02454	8.9
161.04552	1.4
175.04047	0.7
179.03545	2.6
184.59636	0.6
188.14493	0.6
197.04645	1.9
203.30014	0.6
225.05428	0.7
230.11781	0.7
359.07797	1.7
406.43073	0.8
444.11359	1.3
459.13501	2.5
501.14899	1.0
603.25739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95942	2.0
57.33314	2.0
59.01360	2.1
61.92117	1.9
61.98827	7.2
63.09701	1.8
68.78546	2.2
71.43189	1.9
72.29715	2.1
79.08523	2.0
99.92586	13.6
100.93380	63.3
115.92094	100.0
115.92926	4.7
116.92857	4.5
117.63395	2.1
132.01277	2.2
135.04527	8.1
152.49117	1.9
158.32846	1.9
161.02455	5.6
219.18291	2.0
441.15390	2.8
441.25534	2.4
503.33679	6.3
505.34421	4.5
523.25116	5.7
567.22791	2.7
569.21710	3.3
585.25281	5.6
603.16583	4.1
603.26306	77.7
604.26819	8.3
617.24438	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	603.303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56319	1.0
60.99321	5.7
69.09155	8.2
72.28025	1.1
78.95931	1.4
79.99920	1.2
85.00471	1.3
87.00881	3.5
88.00385	1.6
88.98815	31.6
89.02457	100.0
96.96019	10.4
100.97746	1.1
109.15958	1.2
127.12489	1.1
152.97049	1.2
277.21643	1.1
461.20154	1.3
468.47632	1.5
471.35187	2.1
484.30441	1.2
552.35297	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	603.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	5.7
84.81297	2.6
85.16893	2.8
88.00369	3.4
88.98815	25.5
89.02457	100.0
103.92030	3.1
111.64550	3.1
117.03507	4.0
119.05016	5.7
133.03008	3.3
145.02972	11.0
151.02191	3.4
161.02472	4.4
165.80797	3.5
169.35373	2.9
175.04848	3.2
179.03558	3.1
216.01913	3.2
311.10138	3.3
312.91827	3.3
457.31830	4.6
603.35535	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	605.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	10.0
60.19743	6.9
60.38798	5.8
71.01405	5.7
71.16128	5.1
78.96447	7.6
120.09216	6.1
135.04550	25.6
136.01678	79.7
151.04013	97.0
161.02432	15.5
169.65221	6.9
179.03528	8.5
197.04570	7.6
275.25812	6.3
342.63913	7.0
357.13483	100.0
358.14035	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	605.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.5
59.68885	0.2
71.01398	0.4
71.07666	0.3
71.42761	0.3
72.99320	10.0
76.71737	0.3
84.75097	0.2
89.03954	0.4
91.05541	0.3
96.96015	0.6
101.02485	0.3
101.06108	0.8
107.05048	1.4
109.02961	1.0
115.02053	0.3
117.03477	1.1
122.11200	0.2
123.04544	4.3
132.02187	1.9
133.02977	19.6
134.03796	5.0
135.04547	57.7
136.04871	1.1
145.02953	0.3
147.06192	0.3
151.04051	0.4
160.01671	1.6
161.02466	100.0
162.02844	2.3
165.05669	0.3
175.04089	0.5
178.02708	0.3
179.03520	30.3
180.03853	0.7
193.05081	1.2
197.04579	15.5
198.04959	0.3
205.04979	0.3
223.02501	0.9
359.07767	38.1
360.08121	1.3
407.13544	7.8
425.14651	2.6
443.15482	0.4
605.18585	2.0
614.80579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11850	0.4
55.23404	0.4
56.55716	0.4
59.01381	4.1
61.98835	1.9
69.09113	3.1
69.10413	0.4
71.01392	1.4
72.99305	3.0
73.02937	0.5
82.95412	0.5
83.01395	0.8
85.02965	0.6
88.45879	0.4
91.05595	0.4
96.96014	1.2
101.02445	1.3
107.05038	1.8
109.02959	0.7
113.02466	0.6
116.92915	0.5
117.03465	0.5
123.04534	1.6
132.02229	0.4
133.02966	6.0
134.03758	14.1
135.04539	100.0
136.04874	1.6
139.04031	0.5
145.00836	0.4
149.06088	1.9
160.01677	0.5
161.02460	48.0
161.09740	0.5
162.02779	0.6
175.03990	0.4
178.02716	4.3
179.03517	46.7
180.03825	0.6
187.11362	0.7
193.05077	10.4
197.04582	6.7
249.11374	0.4
327.22000	0.9
359.07755	26.7
360.08020	0.7
411.16745	1.3
415.26791	0.4
425.14539	7.8
501.31104	2.2
552.96460	0.5
605.18445	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	605.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80605	1.0
57.03456	1.0
57.44211	1.2
59.01392	8.2
61.98829	2.0
63.71873	1.4
63.91185	1.1
69.55613	2.2
69.55981	4.1
71.01388	4.3
72.99315	53.2
73.02960	1.2
85.02963	1.7
89.02457	2.0
96.96040	3.1
101.02480	2.7
109.02951	2.8
110.14262	1.0
116.92814	1.3
120.42021	1.0
123.04553	14.6
132.02219	1.0
133.02980	12.1
134.03769	12.6
135.04539	47.2
145.02946	1.1
147.04512	3.2
148.05316	1.1
149.06085	2.3
151.04105	2.1
159.10233	1.4
160.01691	4.9
161.02464	22.7
162.02805	1.4
175.04030	7.9
176.04782	4.9
177.02008	2.4
178.02721	3.1
179.03519	41.6
191.07104	7.1
193.05095	17.1
197.04572	54.5
198.05046	1.8
205.12326	4.1
207.06653	3.7
209.11699	1.3
217.05013	1.3
220.03781	1.4
235.06128	22.1
249.11307	3.5
265.07172	9.6
295.08270	17.4
343.93698	1.1
355.10269	2.7
359.07712	2.7
443.15619	100.0
444.15967	3.2
501.30634	5.2
545.30377	1.1
605.20935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.9
61.98834	1.3
62.75143	1.4
71.01380	7.9
72.99327	5.1
73.02944	1.6
74.83797	1.2
82.95425	2.0
83.73990	1.4
85.02983	1.9
89.02464	5.7
96.96028	12.9
99.04529	2.4
101.02460	5.3
111.84138	1.2
113.02460	3.7
116.92892	4.1
117.03493	4.4
119.03519	3.1
119.04999	1.6
132.02209	2.4
133.02945	9.8
134.03760	57.2
135.04541	17.0
136.01686	1.8
137.02438	2.5
147.04556	10.9
148.05338	6.3
149.06047	11.9
151.04114	2.8
158.03787	3.6
160.01680	22.5
161.02460	16.1
161.13379	6.5
162.03041	2.4
173.06093	4.3
175.04041	35.1
176.04805	29.4
177.02007	4.8
177.05421	1.5
178.02731	10.7
179.03505	5.4
187.11221	1.6
191.07166	38.9
192.04242	3.0
193.05093	72.8
197.04581	3.8
205.12361	17.9
207.06673	15.5
217.05092	4.7
220.03802	4.1
227.17365	1.4
235.06143	100.0
236.06473	3.4
240.77007	1.3
249.11348	14.6
253.32106	1.5
265.05072	0.9
265.07196	42.8
295.08270	60.6
296.08679	1.5
341.09119	1.5
344.05106	1.5
355.10370	17.8
357.26355	3.0
403.95767	1.3
420.43427	1.5
429.17621	2.7
561.24536	2.3
561.33026	7.7
605.22870	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17946	0.5
50.28735	0.7
59.01382	12.6
71.01388	7.0
72.99298	2.1
73.02948	0.9
81.07098	0.6
83.01387	0.8
85.02954	1.8
87.00856	0.8
89.02444	3.8
89.03992	0.8
95.01370	0.6
96.96016	8.5
99.00899	0.6
99.04525	1.2
101.02469	3.5
101.32257	0.5
102.81113	0.5
104.92180	0.5
113.02479	4.0
117.03507	2.8
119.03508	1.4
119.05017	1.0
121.02960	1.5
122.70936	0.6
123.04531	0.9
132.02179	3.5
133.02975	9.3
134.03760	53.8
135.04541	11.8
135.47108	0.6
136.01678	0.9
137.02489	1.6
146.03738	0.6
147.04529	12.8
148.05319	7.7
149.06091	13.9
150.03236	0.7
151.04042	1.4
158.03810	3.3
160.01674	27.5
161.02473	7.5
161.13376	7.0
162.03032	1.1
162.06839	1.1
163.04005	1.8
163.07628	1.1
164.04718	0.8
173.06078	3.4
174.03207	1.9
175.04024	35.0
176.04803	25.8
177.01941	5.8
177.05464	1.6
178.02698	8.9
179.03493	4.3
179.05579	0.9
191.07164	37.8
192.04321	4.8
193.05077	65.4
194.05365	1.6
197.04524	1.5
205.12364	8.1
207.06638	13.5
208.06895	0.6
217.05095	3.5
220.03799	6.2
221.04453	0.9
221.08228	1.0
235.06129	100.0
236.06482	3.0
247.06235	0.8
247.70375	0.5
249.11301	4.7
265.07190	40.1
266.07565	1.0
295.08252	59.1
296.08612	1.4
337.09213	1.6
355.10370	12.0
359.07477	0.9
402.72617	0.6
501.30396	1.0
561.23474	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	605.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.9
63.82985	4.2
66.75109	4.1
71.01392	15.9
72.72302	4.5
72.99306	13.9
73.02930	6.3
76.46478	5.1
79.60561	4.3
82.95441	9.1
85.02942	6.2
86.01781	5.1
88.98835	4.6
96.96014	5.2
98.22697	11.5
99.04528	6.4
101.02430	5.3
101.64645	4.3
107.35739	4.6
116.92891	7.6
125.02390	6.7
133.02933	19.4
135.04533	27.4
137.60919	5.0
151.04008	6.6
161.02452	51.4
179.03506	16.0
185.11832	8.1
197.04509	10.3
357.26541	29.8
501.30881	9.6
519.31689	23.0
561.24847	7.3
561.32916	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	605.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	42.4
71.01376	12.3
71.09785	5.9
72.99303	10.1
81.40675	3.2
82.95414	6.5
85.02940	6.0
101.02409	5.7
109.02940	5.7
113.02430	6.1
116.92852	6.2
133.02977	11.3
134.03758	4.5
135.04552	27.5
136.04755	3.4
161.02470	28.3
167.48053	3.5
179.03496	11.0
188.88702	3.6
197.04588	7.9
339.25433	9.8
344.82199	3.6
348.43683	4.1
349.07828	3.8
357.26443	21.7
392.04459	3.8
501.30804	5.2
513.68945	4.4
519.31659	12.7
561.32886	100.0
562.33215	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	605.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	5.3
59.01385	87.2
62.34484	3.6
62.46243	3.9
64.91869	3.4
69.13819	25.2
71.01402	17.1
72.99311	5.2
73.02959	7.1
83.01374	6.4
85.02964	13.5
85.15479	3.5
86.22205	3.3
89.13106	3.5
93.58340	3.9
96.96022	13.4
101.02445	10.9
113.02457	14.1
116.92883	5.7
133.02963	6.3
133.39815	4.1
134.03746	6.3
135.04550	22.2
149.02635	4.0
161.02493	18.7
161.04579	6.8
163.03964	4.4
179.03520	9.3
197.04622	7.4
303.09927	3.6
327.21704	8.9
344.18591	5.1
355.31052	4.3
357.26462	4.4
362.19427	13.2
483.29672	8.3
501.30801	100.0
502.30722	4.0
517.70697	4.2
519.32031	33.1
545.29840	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	605.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.9
71.01390	5.0
72.99314	56.5
83.01397	1.1
85.02948	1.5
88.26843	0.9
101.02464	1.8
107.05034	1.8
109.02951	2.1
113.02441	1.5
117.03502	1.8
123.04543	18.0
132.02141	1.4
133.02962	7.4
134.03763	24.3
135.04541	50.2
147.04521	4.0
148.05302	2.8
149.06065	4.8
151.03984	3.5
154.89050	1.0
160.01697	9.2
161.02467	12.2
161.13365	3.0
162.03050	1.2
163.60458	1.0
173.06119	1.1
175.04048	13.5
176.04788	11.7
177.01935	3.1
178.02740	4.0
179.03513	39.8
180.03816	1.8
191.07158	15.8
193.05075	26.9
197.04559	62.4
198.04863	2.3
205.12289	4.6
207.06642	4.0
217.05023	1.4
220.03696	2.7
235.06122	42.0
249.11270	5.2
265.07202	17.1
295.08228	21.3
355.10333	5.3
359.07697	1.8
443.15604	100.0
444.15771	6.5
468.88870	1.2
501.30692	9.2
519.31866	3.3
541.76569	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	16.9
69.05777	3.5
69.06202	4.3
71.75831	1.1
78.95906	2.6
87.00874	1.1
88.98814	100.0
89.02464	10.5
95.21667	1.1
107.23430	1.2
152.99722	1.8
277.21692	3.0
292.92538	1.3
306.99533	1.1
395.67010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22006	0.2
69.18600	0.4
69.18995	0.7
72.99320	0.3
79.95746	2.9
96.71478	0.2
96.96020	100.0
109.02962	0.3
116.92853	0.3
135.04558	0.9
161.02460	0.9
174.81830	0.2
179.03520	0.4
185.02380	0.4
185.97385	0.2
197.04559	0.6
311.05637	0.3
321.04062	0.6
322.04358	0.3
339.46365	0.2
359.07642	0.4
373.10080	0.2
420.98465	0.2
475.31284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53708	6.8
56.94841	7.0
59.01387	8.3
67.74884	7.1
83.67133	7.0
88.98818	24.0
90.58056	6.3
101.02469	7.0
105.01937	58.0
119.01792	7.0
119.05085	16.4
121.92348	6.9
123.38563	8.4
127.71713	6.6
129.96747	6.9
133.02960	15.4
134.03749	7.6
135.04535	49.6
137.02429	7.5
145.02969	13.3
149.06093	12.2
157.02977	13.3
161.02374	18.3
163.04034	30.7
168.45094	6.8
170.31964	6.7
175.04007	13.3
179.03532	22.3
181.62717	9.7
229.01460	100.0
251.05534	13.8
303.42023	7.4
429.14368	10.3
501.91373	8.1
578.86530	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	607.186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30280	0.5
59.01387	0.6
68.57838	0.5
72.99312	0.9
79.95779	1.0
90.72210	0.5
96.00834	0.5
96.96017	31.8
98.95591	0.6
109.02961	2.3
117.52369	0.5
123.04530	1.2
135.04535	2.4
161.02422	0.9
175.16997	0.6
179.03484	1.1
184.63135	0.7
185.02455	1.3
197.04570	1.4
219.40742	0.5
233.08534	100.0
234.08885	1.9
249.05655	0.7
260.88782	0.6
277.04941	0.7
279.03104	1.3
293.04559	0.8
321.04108	2.5
339.05002	1.7
380.89429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.5
61.98841	2.0
62.66144	1.4
69.37563	5.7
71.01404	10.3
72.99329	1.8
73.02960	2.6
82.95426	3.9
83.01409	1.4
85.02940	3.1
87.00906	1.6
88.98811	1.8
89.02445	6.7
95.01402	2.1
96.96024	17.6
98.21887	3.0
99.04519	10.1
99.92567	1.8
101.02455	6.2
109.02961	1.3
109.64420	1.4
113.02467	3.5
116.92868	5.8
117.03477	2.7
123.04546	2.2
132.02185	5.5
133.02954	9.5
134.03760	57.5
135.04552	21.4
136.04881	1.8
137.02402	2.5
145.02933	2.6
146.03694	1.8
147.04515	11.4
148.05344	9.6
149.06110	12.6
156.27107	1.8
158.03703	3.3
160.01691	30.1
161.02477	11.2
161.13329	2.0
162.03210	3.5
163.04044	3.6
164.04817	1.4
173.06027	4.1
174.03189	2.4
175.04018	37.8
176.04813	31.3
177.01956	5.4
177.05479	2.0
178.02737	11.2
178.17128	1.4
179.03551	9.2
185.43138	1.4
187.11356	2.2
189.12817	2.3
191.07158	38.5
192.04283	3.5
193.05078	78.3
197.04631	3.3
198.46988	1.6
207.06621	16.1
207.13928	12.2
211.99133	1.6
217.05119	2.6
218.22954	1.5
220.03795	5.8
235.06134	100.0
236.06473	2.8
251.12900	40.2
265.07196	43.1
295.08279	59.3
296.08679	2.0
307.28928	1.5
355.10349	27.3
381.50366	1.6
431.19287	11.3
493.19647	1.4
563.34161	2.8
565.85217	1.6
607.24146	23.3
607.36273	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	607.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47536	2.8
59.01390	47.1
69.91695	2.6
71.01394	23.3
72.99317	8.2
73.02952	8.0
82.95424	30.7
83.01479	2.9
84.00124	3.0
84.95073	3.4
85.02956	11.4
89.02438	8.6
89.28348	2.7
96.96011	11.5
97.02961	2.9
99.04530	25.1
101.02446	15.2
109.02991	5.1
111.00889	3.9
112.98878	3.3
113.02467	12.2
114.93513	3.5
116.92869	11.5
117.03519	5.3
119.05029	10.1
132.02156	6.1
133.02966	19.4
134.03766	52.4
135.04575	30.1
139.58081	2.7
143.03493	4.0
147.04561	10.7
148.05324	9.4
149.06117	15.9
151.04095	3.3
160.01674	20.8
161.02455	30.5
161.04572	3.6
163.04030	9.2
175.04028	35.4
176.04805	35.8
177.01961	10.1
178.02724	10.8
179.03563	8.6
182.82271	2.8
189.12862	5.3
191.07161	44.5
192.04407	3.1
193.05087	67.8
197.04576	7.4
207.06685	13.1
207.13916	31.3
217.05144	4.9
220.03830	6.2
235.04291	1.9
235.06136	85.9
251.12910	100.0
265.07224	44.9
295.08286	53.6
355.10559	19.1
359.28003	6.5
431.18939	15.2
452.84531	3.0
476.62488	3.0
547.31146	23.1
563.34369	9.1
565.32520	15.1
607.23889	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	607.313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81179	0.5
59.01385	100.0
65.51263	0.4
69.14713	1.5
69.15119	1.0
74.10860	0.5
81.16850	0.4
96.96037	1.2
98.21872	1.1
99.04527	4.8
124.83726	0.5
133.02956	0.7
151.04024	0.5
161.02516	1.7
162.02869	0.9
194.63451	0.4
300.14935	0.5
341.08868	0.5
422.39383	0.5
441.72192	0.5
617.88654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
57.03444	6.3
59.01385	65.2
59.51874	1.2
69.20256	8.8
71.01402	10.1
72.99300	5.4
73.02964	3.8
83.01393	5.6
83.05032	1.7
84.90850	1.6
85.02946	4.2
87.00883	4.1
88.05009	1.4
89.02492	1.4
92.58415	1.4
96.96025	22.7
97.06631	1.8
101.02460	9.2
105.32150	1.4
107.05052	4.0
108.02187	3.8
109.02964	1.4
113.02438	4.7
119.05020	4.4
120.05883	1.6
121.02959	3.6
123.04509	5.8
123.08152	2.3
124.83620	1.4
125.02348	1.5
133.02948	3.9
134.03726	2.7
135.04561	24.6
136.05373	12.2
141.09258	1.4
151.07658	6.4
160.01752	3.6
161.02454	18.1
161.09752	9.4
161.13364	5.5
162.02780	8.1
163.02922	2.9
163.11168	1.5
175.04039	4.0
179.03481	3.5
180.03886	2.6
181.05109	2.4
187.11342	10.1
189.09216	11.8
193.05046	2.0
195.06639	100.0
196.06970	2.7
197.04561	5.1
198.04988	1.8
201.14935	1.5
205.12355	5.0
207.10309	2.6
212.05363	1.4
223.13333	1.6
231.10272	2.9
249.11330	5.8
250.55646	1.5
267.12375	1.9
321.03644	2.1
329.23285	1.6
357.11829	4.6
359.07761	2.3
359.28058	4.9
411.16656	3.4
503.32224	41.8
504.32446	2.6
521.33392	12.2
563.34253	2.1
607.24023	45.8
608.24872	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	607.335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	84.5
69.51143	12.7
69.65878	3.0
69.73775	2.6
71.01379	21.3
72.10354	2.7
72.99310	8.4
73.02956	7.7
75.03487	2.6
75.12741	2.9
77.35744	2.8
79.95759	2.8
83.01356	6.7
85.02962	13.1
87.00884	3.7
89.02490	4.0
96.96018	69.9
96.96623	5.4
98.95590	3.4
99.00936	3.3
101.02484	14.5
109.02974	11.4
112.98804	3.8
113.02483	10.3
116.92163	3.1
116.92862	14.9
118.77692	3.0
119.05049	6.3
121.03024	5.3
123.04487	4.1
125.02464	4.1
133.02975	12.7
134.03726	4.9
135.04549	34.8
136.04974	3.3
137.02440	4.7
145.02980	9.4
149.02489	21.4
150.02827	2.8
161.02470	42.7
162.02797	8.1
163.04059	4.5
171.13904	3.7
175.04121	4.8
179.03487	15.6
197.04591	6.5
205.05222	3.0
227.16447	2.6
257.53091	3.2
267.02991	3.6
267.06775	13.8
268.06995	6.1
277.79599	3.1
285.03973	6.0
307.08289	3.6
309.03958	2.7
315.18109	6.5
321.14859	4.1
322.62680	2.9
333.19394	4.1
359.27911	10.3
386.48663	3.4
455.58102	2.9
503.32224	100.0
504.32532	4.7
521.33221	30.3
549.11847	3.2
563.34448	4.3
607.21613	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	607.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01080	2.0
59.01383	31.8
60.41056	1.5
69.31471	9.1
71.01390	8.1
73.02948	3.7
73.49001	1.4
79.95759	4.3
83.01382	3.0
85.02984	4.0
95.01358	1.7
96.96024	100.0
101.02459	6.4
113.02466	3.4
125.02415	1.5
135.04527	10.1
161.02457	5.4
164.99481	1.8
165.05588	3.8
179.03476	4.3
229.18001	4.1
241.12158	1.7
329.23267	2.3
359.07709	3.0
359.28137	2.7
373.22110	3.6
391.23257	3.7
503.32315	43.6
504.32809	3.3
521.33398	12.5
563.34222	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	608.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54074	13.9
54.31380	12.0
69.09245	100.0
82.36256	12.6
90.63889	12.9
99.92599	14.9
100.93380	32.3
115.92088	57.8
124.50392	14.7
173.28085	12.6
300.02829	17.7
313.61938	14.5
429.56815	14.8
609.14691	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	608.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01098	19.9
64.70396	23.7
68.54321	22.5
69.06452	67.8
69.06871	100.0
69.83274	20.7
71.98307	22.2
79.87498	19.1
161.02452	25.4
162.24649	23.3
163.10931	23.4
216.48517	22.5
220.71028	27.7
331.59607	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46476	0.6
60.99314	15.3
68.24161	0.8
70.73705	0.7
76.25977	0.8
78.95904	2.2
88.00416	1.0
88.98814	100.0
89.01937	1.1
89.02456	13.8
152.99661	0.9
167.98280	0.7
170.78032	0.7
180.32596	0.7
196.34837	0.6
240.10063	0.6
244.49542	0.9
245.01895	0.6
270.76102	0.7
279.23383	5.5
430.25729	0.8
433.23389	1.1
530.65552	0.7
622.08368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.9124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00202	0.4
51.30811	0.4
59.01385	37.8
65.03603	0.5
70.79333	0.4
72.99335	0.8
101.02471	0.8
115.17764	0.5
118.96923	0.6
125.00928	0.7
128.07175	0.7
132.98177	0.7
135.04581	0.6
141.00537	0.8
156.67896	0.5
156.99036	0.5
167.01994	0.6
169.00034	0.5
174.99266	19.1
178.26392	0.5
186.99199	0.5
194.95470	0.5
201.02626	0.9
211.01044	0.8
214.98787	2.8
217.00322	100.0
218.00677	2.0
226.98546	0.4
229.05550	0.5
256.98245	1.1
266.96722	0.9
270.08218	0.6
272.96158	0.8
276.66284	0.5
301.00891	1.0
308.97849	1.9
312.96585	1.5
314.98013	14.1
325.00967	0.6
326.98727	1.0
341.10846	0.8
350.93845	0.5
352.97003	0.7
369.00000	0.7
410.94397	0.5
412.99197	0.9
592.01630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08177	0.3
52.12449	0.2
58.46477	0.2
63.02409	0.9
63.74340	0.2
65.00320	1.6
68.94053	0.2
70.77876	0.4
73.94910	0.2
83.01396	1.2
91.01889	0.3
93.03474	0.4
106.08971	0.3
107.01395	3.4
108.02174	1.9
109.02957	1.9
119.01438	0.4
121.02982	2.2
124.01640	0.4
125.02531	0.3
135.00897	1.1
135.04543	0.4
136.99915	0.2
139.03998	0.3
145.02869	0.2
148.01683	1.5
149.02448	0.3
151.00381	15.5
159.04515	0.6
161.02425	0.3
163.00389	3.3
163.03949	0.3
164.01225	1.1
169.01463	0.5
175.04068	0.4
178.99872	6.8
182.03772	0.2
183.04463	0.7
187.04018	0.5
190.99899	0.3
192.00659	0.6
193.01476	0.3
198.03136	0.3
199.04086	1.0
200.04778	0.4
201.01965	0.3
201.05550	0.5
203.03525	0.6
211.04001	1.5
215.03564	0.9
216.04280	0.6
226.02763	1.7
227.03468	3.6
228.04156	0.4
229.01518	0.3
229.05133	0.9
239.03519	0.4
243.02998	12.7
244.03545	0.7
245.04523	1.6
254.02267	2.9
255.03000	33.3
256.03513	1.3
271.02502	68.1
272.03064	4.1
273.04156	1.5
283.02548	1.3
299.02097	1.5
300.02768	100.0
301.03519	38.2
302.03970	1.7
343.04501	1.0
541.34167	0.3
609.14624	87.6
610.14984	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	609.1464
Annotation	Rutine
Peak:m/z	Relative Intensity
54.25237	0.2
63.02403	0.5
65.00323	1.2
66.67198	0.2
69.20132	1.2
73.53609	0.2
83.01405	0.8
93.03489	0.2
96.95168	0.2
107.01402	2.8
108.02173	1.6
109.02980	1.6
121.02966	1.9
124.01701	0.3
125.02452	0.4
133.02979	0.3
135.00848	1.0
135.04546	0.3
137.02457	0.3
139.04063	0.3
148.01700	1.7
149.02441	0.5
151.00383	12.6
153.01927	0.3
159.04532	0.3
160.51495	0.3
161.02493	0.3
163.00375	2.8
164.01186	0.8
165.01949	0.3
169.01491	0.3
175.03972	0.2
175.10172	0.2
178.99879	6.9
183.04575	0.5
187.04042	0.6
190.02747	0.4
190.99858	0.3
192.00717	0.6
193.01460	0.4
198.03384	0.3
199.03983	0.7
201.00021	0.2
201.01921	0.3
201.05544	0.3
202.02867	0.2
202.26994	0.2
203.03601	0.4
211.03989	1.3
215.03539	0.6
216.04256	0.7
226.02736	1.6
227.03505	3.1
228.03983	0.3
229.04955	0.6
231.00748	0.3
239.03477	0.3
243.02994	10.7
244.03615	0.6
245.04594	1.5
254.02272	2.5
255.03001	28.9
256.03293	1.3
257.04666	0.3
271.02499	54.5
272.03061	3.4
273.04016	1.0
283.02490	1.6
299.02048	1.3
300.02768	100.0
301.03513	39.3
302.03845	1.0
343.04782	0.7
583.64368	0.2
609.14636	87.5
610.14984	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	609.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30862	0.3
59.01377	0.3
69.33281	0.5
69.33585	1.5
71.01387	0.5
72.99314	0.7
78.95922	0.8
79.95752	3.2
84.48067	0.3
96.96020	100.0
109.02973	1.6
121.34249	0.2
134.03725	0.4
135.04535	2.9
136.76389	0.3
179.03543	0.8
185.02481	1.0
197.04659	0.6
201.02095	0.3
207.24664	0.3
249.05519	0.7
251.03516	0.4
265.05136	0.4
277.05026	0.5
279.03021	1.1
280.03580	0.7
293.04648	0.4
295.06100	0.9
321.04120	2.0
339.05002	0.9
420.06491	0.5
467.18768	0.6
609.31714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.7
71.01395	1.8
72.99316	59.7
95.05049	1.3
96.96008	3.0
109.02964	4.4
112.98811	4.3
122.06134	23.7
123.04536	24.3
134.03748	5.2
135.04541	53.1
151.03906	1.7
156.04613	6.6
158.06113	6.0
161.02451	3.3
174.05571	1.6
179.03511	32.5
183.03290	1.6
184.04039	5.9
186.05606	5.6
193.04970	1.6
197.04570	58.8
197.06393	2.9
202.05096	3.5
211.02725	1.6
211.13350	5.6
212.03508	12.5
213.04362	1.6
214.05051	1.4
216.06645	5.0
243.05382	9.5
243.28340	1.3
249.10324	1.8
250.11136	1.9
252.09209	1.7
255.03107	1.3
256.47217	1.4
264.10471	1.9
265.09769	2.1
265.13501	5.3
266.11960	1.3
267.11429	2.7
271.02542	1.6
276.09259	2.4
278.06931	2.8
279.07788	5.8
279.10928	1.6
281.13000	3.4
291.07718	2.7
291.11389	2.9
292.09128	4.4
293.09424	9.1
294.10159	3.1
300.02692	5.0
301.03336	1.4
305.05649	4.1
307.07706	1.7
307.10941	7.6
309.12442	38.3
317.09283	2.2
320.08145	7.6
321.04178	2.8
335.10394	100.0
336.10760	2.8
339.04987	2.2
341.15240	2.9
348.46381	1.4
353.07217	2.4
353.11392	16.9
367.08246	2.2
379.09393	23.0
385.14157	9.7
397.10068	18.0
411.11972	10.1
416.37399	1.6
429.13028	36.5
505.34106	3.6
533.15485	2.0
577.14728	40.3
578.14618	1.5
609.17358	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	609.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97956	1.5
59.01375	8.1
70.00777	4.5
71.01377	1.8
72.99318	63.2
93.03474	4.7
96.96021	19.3
98.95611	9.3
98.96436	3.5
107.05032	2.9
109.02943	5.3
112.98811	6.2
116.92824	1.6
116.94199	1.9
119.05054	8.1
122.06131	14.8
123.04542	22.7
134.03761	13.7
135.04546	63.3
137.02422	5.1
145.02957	2.2
149.06088	2.2
151.04050	1.6
156.04613	4.7
158.06157	5.3
160.01685	5.4
161.02454	9.1
162.02946	1.6
163.04031	7.4
173.04782	1.6
175.04010	5.0
179.03506	36.2
181.05106	7.7
184.04037	4.8
186.05513	2.8
193.04964	7.5
197.04568	100.0
202.05223	1.6
212.03578	10.8
216.06604	2.9
233.04527	3.1
238.07491	1.5
243.03040	1.8
243.05379	5.6
250.08641	2.0
250.11069	2.1
265.13446	4.0
271.02417	2.6
279.07898	4.2
281.06586	2.9
281.09567	1.7
291.07764	1.8
291.11414	2.4
292.09430	2.1
293.09229	7.1
294.10059	2.6
300.02686	3.4
301.03470	1.7
305.05737	2.7
305.09082	1.4
307.04486	4.1
307.10892	3.9
307.54080	1.4
309.12509	22.1
317.09338	2.6
320.07999	6.3
321.03897	7.0
335.10413	72.7
336.10995	2.5
353.11423	10.4
359.07339	1.9
368.74982	1.5
379.09375	18.1
385.14059	5.9
397.10367	8.6
410.98029	2.0
411.12012	9.4
429.13092	18.0
445.11795	3.2
452.25931	1.6
463.12610	17.2
505.33704	3.3
519.09015	1.7
545.17792	4.4
554.84308	1.7
573.01373	1.8
577.14532	16.7
609.16705	17.3
609.28595	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	609.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
62.39759	0.7
70.27035	0.5
73.33959	0.5
87.48218	0.5
95.05083	0.8
98.17245	0.6
99.04531	1.5
111.68318	0.7
118.17767	0.5
162.79488	0.6
186.03906	0.6
293.21432	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	4.1
59.01390	94.5
69.13132	5.0
69.13534	11.0
71.01385	22.2
72.99331	7.0
73.02954	8.5
77.73820	3.0
83.01398	5.8
85.02975	13.2
88.98811	5.6
95.01376	4.0
96.96022	52.2
98.95615	33.5
98.96446	5.4
99.00922	4.4
99.04562	5.9
99.92606	6.5
101.02462	11.3
112.98896	3.4
113.02492	7.8
121.02982	11.2
123.00883	4.2
123.04526	5.4
125.02481	4.9
129.98582	3.3
133.02936	6.4
134.03741	7.5
134.06094	3.1
135.04587	13.1
137.02480	7.1
139.04001	3.5
149.06105	4.6
151.00362	4.1
153.05618	7.4
153.29604	3.0
160.01680	6.7
161.02458	10.1
165.05617	3.1
175.04027	8.5
178.02731	3.5
179.03560	6.8
181.01477	10.3
182.02238	8.6
193.05093	5.7
196.03786	7.2
197.04559	30.0
205.12401	3.7
211.06221	8.7
212.06577	3.2
224.03285	8.2
228.88130	3.1
232.95271	5.3
239.05620	55.9
255.02986	7.5
259.19727	3.0
269.06671	11.9
271.02542	14.4
271.09647	4.3
299.07864	15.6
300.02847	21.3
301.03479	9.8
303.21707	5.1
321.04263	3.5
331.24771	3.6
361.29657	13.5
379.56778	3.1
385.25992	22.6
385.30057	3.8
410.97888	3.8
429.13089	4.9
457.28250	3.3
475.29138	11.1
483.88239	3.2
505.33838	100.0
506.34067	6.5
507.28329	7.4
523.34961	24.0
565.36139	4.6
602.29938	3.5
604.75562	3.6
609.14435	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12254	5.9
57.23342	5.8
63.60947	6.0
70.57637	12.9
72.51934	6.3
78.13632	5.4
78.95907	30.5
96.96022	100.0
96.96960	33.7
114.08376	8.9
116.92874	25.6
135.04521	9.3
221.39270	6.6
221.51877	6.6
229.02586	6.6
277.21808	18.4
423.88287	6.3
461.32080	7.8
471.34863	7.4
529.30859	17.9
611.27893	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	611.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51499	2.1
59.01373	3.9
60.39198	2.2
71.01385	5.3
71.41083	2.6
72.99312	6.8
77.79306	2.3
81.50468	2.3
83.01385	2.9
90.57428	2.1
96.96047	4.0
109.02991	4.7
113.02477	3.6
123.04545	3.2
133.02988	9.4
134.03749	12.6
135.04544	100.0
137.02493	2.9
155.70137	2.4
161.02438	10.0
179.03528	67.5
197.04536	8.4
223.04169	3.1
224.04770	2.7
237.01906	3.1
253.05147	3.3
266.02267	3.7
267.02771	2.7
269.04449	3.7
279.03030	5.9
280.03668	4.9
281.04526	4.8
282.01666	3.1
285.04266	2.6
292.50134	2.2
295.06097	2.9
297.04050	6.8
309.04297	3.3
313.03574	3.1
314.04437	2.6
321.03989	5.3
323.05554	4.9
324.03061	3.5
325.03497	9.2
326.04221	2.9
337.03488	3.2
339.04800	5.3
352.02286	4.7
353.02933	8.9
354.03680	2.6
367.04562	8.6
368.05368	5.1
370.03149	3.0
384.04968	7.5
385.05569	7.8
399.07242	41.9
402.06088	2.8
417.08191	9.3
418.03586	2.7
431.10016	3.9
547.08990	7.0
634.58905	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	611.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82483	0.8
55.95819	1.0
57.03411	0.9
58.00587	1.0
59.01383	71.7
67.32529	0.8
69.37424	4.6
70.23526	0.9
71.01389	30.2
72.99315	4.5
73.02971	1.3
73.25322	0.8
83.01398	1.7
84.04143	0.9
85.02972	7.1
88.98804	2.8
89.02452	26.3
95.01368	2.6
96.96014	5.6
98.21932	2.0
99.03918	1.6
99.04533	25.2
101.02444	13.8
104.37690	0.8
111.04548	2.2
113.02454	8.5
119.03526	8.8
121.06583	1.3
123.04525	1.3
133.02945	2.1
135.04561	5.7
145.24721	0.8
161.02449	7.6
161.04527	1.4
179.03474	3.7
179.05644	2.2
189.12883	6.9
197.04541	4.6
207.13910	40.0
208.14221	1.2
233.11858	2.2
251.12906	96.2
252.13181	3.5
269.13840	2.3
281.08401	1.0
300.02930	1.0
302.03574	1.5
359.07849	2.7
431.19254	100.0
432.19592	4.0
448.34610	0.9
497.69495	0.9
503.86411	1.1
521.12946	2.3
598.16821	1.1
611.15643	5.3
611.25519	71.5
612.25537	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	611.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95916	37.3
79.95748	3.6
82.01133	2.9
96.96026	100.0
96.96965	52.2
98.25847	2.8
113.92650	3.4
116.92900	18.5
189.00891	3.5
191.41272	2.7
217.00217	2.9
228.28928	3.1
248.17021	3.2
254.92952	3.1
256.68500	3.9
261.33081	4.1
277.21793	16.5
351.05991	10.0
529.30634	4.2
551.25079	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	611.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62280	1.5
55.58609	1.5
59.01384	100.0
69.15342	4.6
69.15772	7.3
79.61164	1.4
80.78755	1.6
82.89533	1.5
88.28559	1.7
88.49575	1.6
103.01507	65.1
113.74418	1.6
125.02444	1.7
125.87321	3.1
161.02483	2.9
236.04982	1.6
279.15787	1.8
393.31674	1.7
425.30981	2.1
467.31638	5.3
485.32794	28.0
486.33572	2.2
549.31787	3.5
567.32941	9.6
611.20166	7.8
611.33112	85.8
612.33667	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	612.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.98836	77.5
71.01399	1.6
71.24342	0.6
73.02976	0.8
85.02937	1.0
96.96025	0.6
101.02445	1.3
110.02443	0.6
113.02476	0.8
117.03459	1.6
132.02153	1.4
133.02974	24.2
134.03697	1.2
135.04541	9.5
161.02463	100.0
162.02811	2.3
163.76387	0.6
177.57036	0.6
179.03496	6.3
231.06953	0.7
248.04001	0.6
549.23462	91.6
550.23743	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	613.1569
Annotation	LITSEAEFOLOSIDE C
Peak:m/z	Relative Intensity
66.20892	0.2
73.67719	0.2
81.36299	0.2
89.03979	0.3
91.05556	0.7
93.03471	0.3
100.57927	0.2
106.04288	0.5
107.05039	2.0
109.02962	0.6
117.03448	0.9
123.00916	0.5
124.01676	17.7
132.02213	0.3
133.02985	0.7
134.02730	0.3
134.03757	6.4
135.04541	100.0
136.04837	2.0
137.02461	1.4
139.04027	11.0
140.04401	0.3
148.01697	1.4
149.02441	0.5
150.03195	0.2
159.00983	0.3
160.89064	0.2
161.02478	3.1
164.04836	0.4
173.02672	0.2
174.03242	0.3
175.00298	0.2
175.03955	0.2
176.01180	0.9
177.01994	1.9
178.02637	0.3
179.03516	78.5
180.03856	2.0
187.00272	0.3
188.01125	0.8
189.01939	0.4
191.03514	0.3
193.05052	0.7
197.04549	0.4
205.01260	0.2
207.03024	2.2
208.03725	2.1
211.03993	0.4
219.03011	0.7
220.03734	0.3
223.06136	4.1
225.04041	2.2
227.03465	0.3
239.03482	0.3
240.04274	0.3
246.01724	1.3
247.02521	2.5
248.03239	0.6
248.62993	0.2
251.03337	0.3
251.05623	0.3
256.03793	0.3
267.02985	0.4
268.03796	0.5
269.04523	0.3
277.04929	0.6
278.04327	1.4
279.05087	1.0
284.03210	0.6
293.06766	2.1
294.07349	0.4
295.02521	0.6
296.05444	0.5
299.05112	0.3
306.05377	0.4
311.07776	9.9
312.08185	0.4
321.04077	0.6
327.05023	1.1
354.03702	0.6
355.04199	0.6
356.05368	0.2
363.10959	1.2
365.06656	0.7
369.06052	1.0
371.03973	0.6
386.06406	0.4
387.07141	0.5
401.08643	0.4
409.05658	5.0
426.05789	0.7
433.11606	1.7
441.08194	3.7
451.12543	4.2
452.12857	0.5
473.10776	0.9
522.19019	0.3
549.10376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45008	1.6
57.03453	76.0
59.01388	11.3
60.82694	1.5
64.07343	1.4
64.63448	1.4
69.03472	10.7
71.01366	1.7
71.05025	25.0
72.99288	1.5
73.02949	6.3
81.03463	4.9
88.98827	1.6
93.03483	2.0
99.04529	63.7
101.02455	14.3
105.03445	3.2
112.98770	1.7
121.02963	14.5
125.02462	48.3
133.02965	3.1
134.03732	5.4
135.04526	5.5
137.02437	5.0
147.00899	4.7
149.09706	4.7
161.02470	29.9
167.10744	2.4
167.42068	1.8
172.99594	1.7
177.09247	5.0
179.03337	2.8
188.13498	1.7
189.01994	4.7
221.08209	100.0
222.08447	3.3
224.38922	1.7
238.98218	1.6
327.34116	1.7
421.35104	1.8
465.44046	1.7
494.23175	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	614.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.9
61.90306	4.0
61.98820	9.2
71.06288	4.1
71.41441	5.6
72.99320	9.2
96.96040	19.8
99.92599	5.5
109.02956	52.3
116.29878	4.1
130.67432	3.5
135.04561	20.4
137.02435	4.2
145.02946	5.7
152.43895	4.1
168.23378	3.7
179.03543	7.7
185.02454	13.0
186.03195	4.6
197.04602	7.8
231.03043	10.9
233.06310	4.6
248.04825	6.3
249.05609	11.4
265.05237	8.2
276.04346	4.8
277.05090	8.8
279.02963	8.8
280.03375	5.1
293.04623	30.4
295.06165	29.8
298.33368	4.4
321.04059	100.0
339.05121	15.6
353.06668	47.6
404.96683	4.6
444.26138	4.0
519.09314	13.8
551.12177	9.3
574.56903	4.0
589.45355	4.0
615.02411	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	614.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02075	1.4
54.35915	1.7
55.38804	1.8
59.01356	2.1
61.98834	100.0
65.03593	1.7
72.99307	4.1
84.95119	2.9
90.29623	1.8
92.05045	1.8
99.03914	3.3
99.04530	38.4
116.92889	3.2
133.02954	3.4
134.79839	1.8
161.02457	7.6
176.92784	2.0
179.03535	3.0
244.50739	2.0
278.55655	1.8
291.78723	2.0
321.04062	2.2
531.26855	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	614.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	4.4
79.95755	2.8
96.96017	100.0
96.96915	7.3
98.21811	0.7
99.43644	0.3
137.89009	0.3
203.39627	0.3
277.21683	0.4
376.98471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.9819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39164	0.5
59.01385	71.3
68.42607	0.6
69.16882	4.4
89.33852	0.6
113.48904	0.6
132.98225	1.5
143.08725	0.6
160.31673	0.7
174.99260	32.8
197.66173	0.6
201.02554	4.2
217.00314	100.0
218.00600	1.7
359.01498	11.8
374.99243	67.4
375.48035	0.7
375.99649	1.2
436.94910	0.9
517.00153	2.0
532.98492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	45.4
69.38026	9.0
71.01388	3.4
87.77567	1.5
98.22610	3.8
98.99364	4.7
100.74886	1.6
101.00961	4.3
103.84076	1.6
104.74187	1.6
114.98938	1.9
117.00472	3.0
125.00958	2.4
126.98888	2.4
132.98253	2.1
141.00450	10.7
146.03777	2.3
153.00462	3.9
155.02057	1.9
156.99976	4.1
159.01553	2.5
161.28050	1.8
174.99265	25.1
190.01186	1.7
196.96199	26.2
201.02534	4.6
202.01149	1.7
203.02005	4.2
204.02676	2.0
206.17523	1.7
214.97221	9.0
217.00310	80.7
218.00717	3.5
219.01476	2.4
231.01476	2.9
232.02228	2.8
236.99344	2.4
238.97278	71.4
243.03508	2.4
244.02296	9.2
245.03033	5.8
248.92329	1.9
252.98846	4.1
255.00336	2.0
256.98257	10.6
264.98730	2.6
266.96658	3.7
270.99969	2.2
280.98346	10.3
289.05701	2.3
292.98288	3.2
298.99368	6.0
299.97910	2.4
310.99194	8.2
314.98801	1.9
341.00323	5.6
341.99136	6.8
342.99594	1.9
359.01883	5.4
361.97952	2.5
372.00085	2.4
374.99155	46.4
375.99561	3.1
378.01285	1.9
387.02399	3.3
393.03601	3.3
405.03403	2.5
417.03647	11.8
429.03317	2.3
435.04407	3.7
447.04568	13.4
465.05548	2.5
477.05624	14.1
495.06516	11.9
513.07928	2.8
532.98138	4.7
537.07867	100.0
538.07983	6.0
555.08789	17.4
573.09448	2.0
633.11560	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	615.406
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71581	3.5
78.95902	1.9
90.75900	1.1
90.91575	1.1
96.96029	35.9
96.96967	2.2
115.14123	1.2
117.09308	1.2
153.46584	1.3
201.09346	1.6
227.10814	3.2
285.18634	54.7
286.19006	2.7
299.20215	59.5
300.20581	2.5
304.02237	1.3
315.19687	100.0
316.20090	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	615.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87379	9.7
58.72618	10.8
59.04520	9.6
69.11161	18.4
69.11569	51.1
111.50112	11.1
233.42751	10.8
283.17023	100.0
299.20197	37.0
331.22824	12.5
496.25430	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	616.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35070	2.2
61.81369	2.3
61.98832	49.2
72.99301	17.4
98.21898	7.1
109.02969	8.0
123.04529	7.4
133.02977	21.2
134.03812	2.7
135.04550	22.6
161.02463	100.0
162.02823	3.5
179.03497	14.2
188.00479	2.6
197.04607	19.9
265.05099	3.0
295.05991	5.3
321.04041	6.7
359.07770	60.4
360.08130	3.5
481.05560	2.7
486.16229	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	616.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.4
60.82077	2.6
61.98834	76.4
66.89461	2.8
72.31597	2.7
72.99315	21.0
88.61214	2.6
90.78678	3.3
95.80313	2.8
95.98860	2.5
96.96008	10.5
100.26222	2.8
104.53855	2.7
109.02969	33.6
110.03315	2.8
123.04523	9.8
132.02090	2.7
133.02943	32.3
134.03723	10.2
135.04547	69.5
147.04550	7.4
151.04027	13.1
151.63200	2.5
159.04527	9.7
160.01653	3.5
161.02467	100.0
162.02965	6.0
173.02371	3.1
177.01860	3.2
178.02654	5.7
179.03490	33.8
185.02451	22.0
186.03104	3.8
197.04536	20.8
203.03423	3.9
221.04424	3.9
237.05603	3.1
240.06851	2.6
249.05663	4.9
265.04840	3.5
267.06534	3.0
277.05038	7.8
279.03006	3.7
293.04645	10.9
295.06091	24.2
298.10196	2.9
313.07220	5.4
321.04126	18.4
322.04367	3.9
339.05054	8.8
340.05191	3.7
357.06189	8.1
359.07758	43.4
553.13440	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	616.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60573	2.6
61.98831	20.3
64.41813	3.0
69.06937	8.4
69.07344	14.1
72.50179	3.0
72.99328	7.3
104.42828	3.4
109.02938	4.2
123.04482	3.6
133.02962	12.5
134.03743	11.2
135.04553	100.0
143.04572	3.2
147.03499	2.6
149.56479	3.7
160.01694	10.4
161.02486	27.6
175.04013	5.9
177.01926	5.1
179.03477	12.2
193.05046	4.5
197.04503	4.8
237.91458	3.0
295.06122	5.0
321.04263	3.1
327.68304	3.4
359.07635	3.4
411.01804	6.7
429.02795	5.2
439.01343	8.5
553.13507	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	616.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76359	0.3
63.76184	0.3
69.49624	0.4
73.38253	0.3
78.95915	2.3
79.95756	2.6
80.19332	0.3
83.12383	0.3
87.88026	0.4
96.92224	0.8
96.96024	100.0
96.96908	3.9
115.62097	0.3
116.92824	0.7
232.90039	0.3
318.60144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01724	1.5
63.59414	0.9
69.88143	1.2
69.88471	3.2
72.99316	1.1
78.31992	1.1
90.91168	1.1
98.21893	1.6
101.00958	1.2
105.40464	1.1
115.02538	3.5
117.00485	7.1
126.75493	1.1
131.02022	2.4
132.98213	4.4
141.00433	2.0
150.94702	1.1
159.01511	52.6
160.01602	1.7
174.99263	42.7
189.00763	1.4
192.95795	2.2
201.02573	10.9
202.02721	1.3
202.98749	1.6
217.00323	95.1
218.00729	2.4
222.99551	1.7
232.98297	2.6
238.97275	1.2
239.97504	2.2
240.97050	2.5
259.01590	1.6
274.99442	7.7
290.97247	3.5
301.02686	21.6
317.00421	55.3
318.00534	3.5
332.98245	19.4
359.01401	4.4
360.01273	1.7
361.01489	1.8
374.99246	34.5
375.99738	2.1
387.00986	1.8
415.00574	3.3
459.01733	3.2
474.99380	22.6
475.99557	2.7
496.99158	3.2
514.97180	1.9
515.09082	3.8
539.08008	4.0
556.98425	29.2
557.08142	2.6
557.98822	3.4
576.94775	1.3
626.01715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
68.12125	4.2
69.07751	20.0
69.08155	8.4
69.53500	4.0
71.01403	4.1
75.00876	10.5
82.68160	3.6
93.39797	4.2
96.96017	9.6
103.00397	7.6
103.01508	75.7
140.94315	3.9
161.02480	6.7
192.94032	4.7
218.63860	4.3
230.19356	4.9
348.02686	4.8
607.11139	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	617.33
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62681	7.3
54.26577	8.4
58.19912	8.4
59.01387	100.0
69.08027	58.7
93.52254	10.0
96.96021	16.2
103.01510	60.9
104.18571	7.6
117.52869	7.5
149.51546	7.7
152.99561	9.4
161.02377	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	617.3854
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
50.55272	1.7
65.68628	1.6
73.87213	1.4
91.45084	1.4
114.55447	1.7
117.03487	36.5
119.05053	6.5
128.04240	1.5
145.02971	100.0
146.03270	2.5
163.04089	1.9
173.25748	1.3
195.06256	1.3
295.22092	1.6
313.14737	1.4
316.56918	1.5
358.26459	1.6
453.33798	1.6
528.46326	1.7
617.38580	84.8
618.38739	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	617.3856
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
59.79226	1.4
60.34837	1.3
69.52490	6.2
103.67330	1.4
117.03481	24.5
119.05021	5.6
120.07757	1.4
135.05846	1.4
140.59453	1.3
145.02969	100.0
146.03299	2.3
156.29779	1.6
356.77579	1.8
422.64465	1.4
494.67645	1.6
497.32925	1.9
609.28998	1.7
612.98926	1.8
617.38544	83.4
618.38910	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	618.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06377	3.3
61.98833	11.2
64.74665	3.1
67.95038	3.3
69.07714	6.9
69.08124	15.7
72.99321	13.2
83.23263	3.3
96.96064	4.1
109.02967	7.4
110.80585	3.3
117.11054	3.1
121.02963	17.4
133.02965	12.4
135.04550	59.5
147.04527	3.5
151.04021	6.1
161.02487	18.8
173.02434	15.8
177.01900	3.7
179.03537	52.0
197.04527	12.4
221.04550	4.4
238.45168	3.5
248.60870	3.5
251.07021	4.4
267.06812	3.6
269.08237	10.6
277.05170	4.0
295.06152	100.0
295.67160	3.4
296.06458	5.4
313.07166	10.9
357.06067	9.2
359.07608	4.3
419.98398	3.7
493.11240	18.4
537.10358	13.8
563.99243	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	618.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32539	0.6
59.01359	0.8
61.98838	10.6
69.13147	1.6
69.13554	2.8
72.99316	16.7
87.02097	0.7
96.96015	3.7
107.03112	0.6
109.02903	0.8
123.04550	7.3
132.02155	1.0
133.02968	17.8
134.03764	0.8
135.04543	18.7
137.68846	0.7
161.02461	100.0
162.02824	2.4
179.03528	14.2
197.04564	20.4
197.06360	1.0
222.94519	0.7
228.17381	0.6
359.07755	47.7
360.08099	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	619.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
69.26710	0.6
69.27119	0.4
72.99311	0.6
79.95740	2.9
91.98567	0.2
96.96021	100.0
98.22624	0.4
101.02441	0.2
103.16427	0.2
105.67799	0.2
110.16949	0.2
121.02979	0.2
133.03003	0.3
135.04549	1.9
155.01779	0.4
161.02467	1.3
167.01735	0.3
168.48576	0.2
179.03514	1.1
179.09702	0.2
191.00293	0.2
197.04575	0.4
203.34738	0.2
211.00677	0.3
229.01784	1.6
234.99323	0.9
268.45639	0.2
353.03589	0.4
359.07797	0.9
379.03610	0.5
391.04962	0.8
397.02521	0.6
404.75848	0.2
457.09332	0.4
521.12964	0.6
559.07587	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
68.95889	0.6
72.99316	7.6
73.05819	0.6
79.95742	2.6
85.34276	0.6
93.85336	0.6
96.96025	100.0
98.21889	1.7
107.05061	1.6
121.02973	2.9
123.04523	1.3
123.55452	0.7
133.02971	3.5
134.03758	0.9
135.04550	36.9
136.04886	0.8
139.02287	2.6
149.00719	0.7
151.04022	4.2
151.99428	0.9
155.01764	13.0
155.02908	1.3
155.08279	1.2
161.02490	10.4
165.00121	0.8
167.01758	28.1
179.03531	42.1
192.99675	3.0
211.00735	16.6
227.06740	2.2
229.01782	93.9
230.02081	1.5
391.04971	16.9
392.05249	1.1
457.09232	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	619.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	0.8
59.01385	1.8
67.14540	0.4
69.67333	0.4
71.01370	0.5
71.41006	0.5
72.97511	0.4
72.99314	18.3
74.02491	0.9
93.03493	0.6
96.04551	1.0
96.96024	1.1
97.04021	0.7
99.05647	1.4
101.02422	0.4
107.05056	1.8
108.04525	0.4
111.02750	0.5
112.04060	0.9
112.07697	0.8
113.03539	0.6
115.43283	0.4
121.02969	8.2
123.04545	1.1
124.04030	0.4
125.04810	0.7
125.32150	0.3
127.02231	0.4
127.05136	1.1
133.02036	0.7
133.02971	8.8
134.03738	1.0
135.04543	5.1
137.07176	0.6
138.60854	0.4
139.02246	4.6
140.07202	1.0
140.62611	0.4
141.00146	0.4
143.04565	0.5
151.04025	3.2
155.01746	31.1
155.08295	1.6
161.02461	22.7
161.86459	0.3
162.02779	0.5
165.06718	1.3
167.01740	15.9
177.01888	0.5
179.03511	4.0
183.07704	1.7
185.02438	0.4
192.04596	0.4
192.99684	1.8
197.04529	0.5
211.00722	14.8
223.45660	0.3
227.06757	5.1
229.01770	100.0
230.02072	1.8
242.79637	0.4
247.91667	0.5
250.97044	0.3
254.99776	0.7
391.04965	49.2
392.05341	1.7
403.97522	0.5
424.40430	0.4
427.35397	0.4
457.09290	21.4
458.09402	0.8
522.19171	0.4
535.41345	0.4
619.12512	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	619.167
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
58.82969	0.6
68.69855	0.6
70.53503	0.7
70.53830	0.8
70.90676	0.6
72.99297	0.7
83.01392	1.2
93.03497	1.7
96.96020	0.7
107.01408	1.4
109.02976	0.7
113.95476	0.6
117.03510	1.0
135.04550	0.7
143.05139	0.8
145.06598	0.8
151.00371	1.9
154.04282	1.5
155.05029	0.7
159.04533	1.7
165.01947	1.0
168.95131	0.8
169.06641	3.1
171.04593	0.9
183.04535	3.7
185.02516	0.9
185.06061	1.6
187.04022	2.4
189.05579	1.9
211.04024	2.7
213.05502	3.2
214.02762	1.9
215.03525	1.5
227.03557	8.7
229.05122	2.2
239.03502	1.1
241.05055	0.9
243.02953	1.2
255.02998	48.0
256.03604	1.6
257.04553	2.7
283.02512	85.3
284.03171	5.4
285.04071	100.0
286.04437	2.3
321.03967	1.0
321.16647	0.7
360.47906	0.7
424.64594	0.7
430.09079	23.0
431.09854	63.3
432.10318	2.7
473.11139	4.2
589.11469	0.8
619.16718	44.2
620.17175	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08654	1.4
50.36998	1.4
59.01382	20.7
59.73298	1.7
70.48977	3.7
72.99323	5.0
73.02967	3.8
83.01411	3.8
94.87022	1.6
96.96020	20.2
99.92567	2.3
101.02462	8.2
107.49764	1.7
108.02121	3.2
109.02969	24.4
116.92870	6.1
121.02958	2.7
122.03766	1.7
123.04553	6.0
132.02193	3.1
133.02977	2.4
134.03758	6.4
135.04539	5.9
136.01686	58.9
137.02319	1.3
146.03807	8.3
147.04523	4.9
148.01648	1.8
149.02483	5.3
149.06082	3.6
150.03244	9.8
150.19568	1.5
151.04030	100.0
153.05569	2.5
158.03809	1.5
159.04602	2.3
160.01678	10.3
161.02458	18.0
161.06114	9.4
162.03238	2.1
163.04051	9.6
164.04724	2.7
165.05629	2.6
166.02730	26.7
174.03152	2.3
175.04002	17.4
176.04811	10.2
178.02742	19.0
179.03493	3.5
179.07156	3.0
181.05087	60.2
182.05464	1.6
185.02452	3.4
187.04051	2.0
188.04807	2.2
189.05531	2.1
190.02733	16.2
191.07170	21.3
193.05077	32.5
195.06700	4.1
197.04550	5.7
202.02827	2.8
203.03355	1.8
204.04347	3.3
205.05069	45.9
206.05263	2.7
208.03893	2.4
211.06059	4.4
219.06636	5.6
220.03809	3.4
223.06168	5.9
235.06142	82.3
236.06563	2.2
253.07178	28.1
265.05008	3.6
267.28033	1.8
269.07953	2.1
279.03061	1.8
283.60251	1.7
293.04807	2.4
296.19385	1.5
321.04083	4.6
322.04550	2.2
339.05161	4.1
355.11749	4.2
415.14011	66.3
416.14142	2.6
468.39899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.1
71.01381	2.3
72.99318	1.1
73.02924	0.4
79.95744	0.4
81.07101	6.6
83.05035	1.3
85.02960	0.7
89.02469	2.4
94.04256	0.8
95.05047	0.7
96.96024	15.2
101.02451	1.3
109.02985	0.4
109.06613	7.2
113.02431	0.9
119.03519	0.7
121.02965	0.8
123.04542	19.5
124.04961	0.4
125.06059	0.7
127.07666	12.4
133.02946	0.5
135.04495	1.0
138.03250	7.3
139.02232	0.4
151.04047	0.4
153.05592	100.0
154.05934	1.5
155.01749	1.0
161.02478	0.9
161.04576	0.8
161.58122	0.3
167.01727	1.5
171.06651	12.6
179.03516	1.3
179.05637	0.9
192.99644	0.6
209.32420	0.3
211.00774	0.9
229.01785	5.6
233.11884	0.4
272.22952	0.3
295.05988	0.4
300.11926	0.3
339.05130	0.4
367.53082	0.3
391.05057	2.0
439.16122	44.1
440.16693	1.6
457.09341	1.3
619.22638	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	619.234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	4.1
58.99614	1.4
59.01381	6.6
70.02987	1.7
71.01391	3.6
72.00404	1.3
72.04549	1.3
72.99309	2.5
73.02963	2.1
74.02472	12.6
76.96348	1.2
80.05058	1.8
82.02983	12.8
83.01401	3.6
84.00925	2.9
85.02968	2.4
87.05647	1.8
89.02434	1.5
96.00919	1.5
96.04570	13.7
96.96027	18.7
97.04082	6.3
98.02502	7.1
98.21809	2.9
99.00920	2.2
99.05656	4.8
100.00410	5.5
101.02440	6.4
102.00174	1.8
105.99685	4.4
108.04546	7.7
110.02496	4.3
111.00829	1.2
112.04095	6.9
112.07687	5.4
112.98849	1.4
113.02411	1.9
113.03569	3.2
114.00215	1.6
116.01826	1.9
122.06151	3.6
124.04072	9.2
125.03596	16.7
125.04865	2.1
126.01996	16.1
126.05614	4.0
127.05157	3.3
128.03551	6.0
129.99719	1.3
133.02991	2.0
134.03760	7.6
134.04604	1.4
135.04597	7.4
135.05524	1.7
137.07248	10.0
138.05621	5.6
139.05156	9.2
140.01791	2.3
140.07172	3.3
143.04633	5.3
144.03052	13.6
147.05634	5.9
149.02451	1.9
151.05104	4.4
152.03520	8.2
153.06732	1.8
155.08327	8.7
158.99989	1.9
160.00731	18.8
161.02493	8.1
163.05164	3.5
164.04764	1.4
165.06734	21.2
166.05115	1.4
166.07089	1.4
169.06210	1.6
175.00359	2.9
178.01450	4.9
179.03343	2.6
179.04698	2.8
181.06213	11.7
183.07825	3.2
190.02762	7.0
191.04646	6.0
193.05081	8.7
196.02548	6.9
199.07269	2.9
205.05061	6.0
207.04895	6.1
209.05687	13.1
224.11032	1.4
225.05185	38.3
227.06758	3.4
229.35292	1.3
243.04437	1.8
253.04684	100.0
254.05042	3.2
259.03918	6.5
271.05725	65.6
272.05896	1.5
283.17014	1.6
287.03406	9.6
303.02957	19.1
304.03809	3.1
305.04520	77.1
306.04706	2.7
315.19699	20.3
346.16058	4.6
347.16870	31.6
348.17111	1.6
575.30469	3.8
619.22919	37.4
619.37329	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	619.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59594	1.3
53.52278	1.1
58.02979	3.7
59.01381	9.3
66.03490	1.5
69.32518	5.4
69.32934	2.4
71.01402	3.6
71.13782	1.3
72.99313	4.8
73.02945	2.1
74.02478	8.1
79.95762	1.2
82.02993	5.8
82.95409	1.5
83.01399	3.3
85.02970	3.1
94.98097	11.1
95.05082	1.5
96.04575	10.0
96.96021	19.7
97.04079	5.0
98.02505	3.9
99.05653	3.5
100.00391	2.8
100.93344	1.9
101.02449	4.7
108.04569	5.9
109.02966	2.6
109.04111	2.0
110.02498	3.0
111.02021	2.2
112.04061	4.4
112.07687	6.1
113.03629	1.7
115.92090	1.6
117.03443	2.1
122.06129	4.1
123.04565	2.4
124.04078	5.9
125.02701	1.4
125.03596	9.6
125.04848	1.5
126.01988	3.6
126.05624	3.6
126.90460	6.6
127.05140	1.6
133.02979	38.9
134.03677	2.0
135.04550	28.5
135.22046	1.4
136.04918	2.2
137.02490	1.9
137.07228	6.0
138.05640	3.7
139.05168	6.0
140.07196	1.6
143.04649	4.6
144.03067	3.0
147.04593	1.5
147.05678	5.0
149.02467	5.9
151.03983	1.4
151.05177	3.4
152.03555	6.7
155.08298	7.2
160.00734	6.3
161.02461	100.0
162.02769	3.6
163.05159	3.0
164.04793	3.0
165.06728	16.5
175.00397	4.6
178.01508	4.3
179.03481	11.1
179.04640	1.3
181.06209	9.5
183.07880	1.5
190.02745	13.2
191.04773	3.0
194.64291	1.4
196.02568	3.1
197.04576	6.6
199.07286	1.8
205.05072	13.1
207.04929	1.6
209.05675	8.8
221.34685	1.6
223.06226	4.5
225.05193	34.4
227.06812	4.1
234.11703	1.4
253.04677	92.1
253.17970	1.4
254.05083	2.8
259.04086	4.3
271.05731	86.6
272.05997	3.5
287.03506	3.9
289.13013	2.9
303.02893	3.5
304.15152	4.8
305.04486	18.5
313.18188	7.7
315.19702	7.1
319.17392	25.1
321.04245	1.9
331.13690	1.7
346.16211	2.0
347.16870	73.0
348.17392	3.8
359.08014	1.4
427.12991	1.4
617.98547	1.7
619.27850	72.0
620.28265	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	620.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48312	0.8
59.01385	100.0
62.02392	0.8
62.43071	0.8
68.95781	0.7
69.05588	5.5
74.70594	0.9
82.77428	0.8
98.22707	1.9
102.95692	2.7
103.01508	79.3
116.82011	0.9
194.90202	0.9
231.58812	0.8
277.21741	2.2
373.24673	0.9
392.62100	0.8
517.41223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57048	0.2
56.21313	0.2
59.01368	0.2
59.28462	0.1
71.01386	0.2
71.41108	0.2
72.99327	0.3
77.86802	0.1
78.95942	0.2
79.95746	3.1
81.47425	0.2
85.02299	0.1
96.96017	100.0
97.95940	0.2
107.63511	0.2
109.02950	0.2
128.03625	0.2
133.02989	0.3
135.04539	1.0
147.00908	0.4
149.02460	0.4
151.04071	0.3
154.13443	0.2
161.02478	1.0
179.03519	0.5
192.76068	0.1
197.04550	0.4
235.03917	0.2
237.28928	0.1
259.01550	0.1
263.03516	1.0
287.70703	0.2
291.02945	1.2
293.04526	0.9
306.07687	0.4
311.05768	0.2
321.03986	0.3
359.07813	0.5
441.06064	0.3
455.11414	0.2
547.81128	0.2
621.31323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91265	0.2
67.63542	0.2
71.30731	0.2
79.95752	2.9
96.96022	100.0
97.95955	0.3
109.02961	0.5
133.03032	0.2
135.04547	0.5
140.87813	0.2
161.02472	0.5
179.03488	0.4
197.04659	0.2
227.06631	0.2
245.17294	0.2
245.44565	0.2
285.40057	0.2
293.04651	0.4
295.06030	0.2
321.03616	0.2
339.05109	0.3
361.09399	0.3
433.16174	0.2
445.95398	0.2
451.64615	0.2
452.80627	0.2
461.04126	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53958	0.4
69.23537	1.8
72.99315	0.9
79.95743	2.6
96.96022	100.0
109.02953	0.8
123.04565	0.6
133.02994	0.4
135.04517	0.8
142.37251	0.3
161.02457	1.1
179.03526	0.7
185.02425	0.5
197.04539	1.2
251.03439	0.3
263.03799	0.5
265.05045	0.4
267.06644	0.6
279.03036	0.6
291.03256	0.4
293.04541	0.5
295.05975	0.7
311.05475	0.4
321.04022	1.5
339.04874	0.8
359.07736	0.5
630.82391	0.4
638.96063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18612	1.4
59.01382	63.2
61.44083	1.5
68.04117	1.4
68.68934	1.3
71.01392	3.4
71.43441	1.8
72.99322	5.9
85.02962	3.2
85.06603	1.8
96.96021	13.4
98.95605	10.1
98.96404	1.8
101.02460	1.6
103.00380	9.3
113.02494	2.5
113.06075	8.0
113.09767	3.6
123.04501	2.2
129.05569	3.1
131.07172	5.3
133.02988	6.7
135.04520	7.3
148.58470	1.5
149.00531	1.3
157.08723	4.9
161.02455	32.1
175.09766	100.0
179.03511	4.4
197.04568	7.0
217.10843	17.2
229.01711	1.9
286.79056	1.6
287.99631	1.5
290.59393	1.5
359.07779	12.0
375.38007	1.6
392.05167	1.7
393.04990	2.2
517.26770	3.6
535.27563	3.0
585.03027	1.8
640.80304	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	621.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79205	1.3
58.02964	1.3
59.01384	3.3
65.85568	1.1
69.49796	4.7
69.88905	1.3
69.98077	1.2
70.02988	1.7
70.31962	1.3
71.01388	3.0
72.99336	1.6
73.98281	1.1
74.02482	14.3
76.83430	1.1
80.50399	1.4
82.03005	13.0
83.01378	1.9
84.04559	1.5
85.02957	1.4
87.05666	1.6
96.04568	8.5
96.96021	5.3
97.04086	5.9
98.02489	7.2
99.05640	6.2
100.00417	5.1
101.02499	1.6
108.04582	6.9
109.04078	2.0
112.04047	5.2
112.07684	3.6
113.03610	2.3
116.01736	3.0
116.92879	1.2
122.06129	2.7
124.04073	7.0
125.03596	13.9
126.01978	10.1
126.05643	3.2
127.05204	1.9
128.03561	5.8
133.02954	2.4
135.04536	3.5
137.07230	6.2
138.05605	3.9
139.05191	4.6
140.07239	3.1
143.04628	3.6
144.03030	9.5
147.05644	4.2
151.05153	2.3
152.03517	7.2
153.06718	1.6
155.08279	4.8
160.00768	16.1
161.02431	3.6
163.05167	2.1
165.06700	16.4
166.05148	1.7
178.01497	3.6
181.06218	5.6
181.54022	1.2
183.07680	2.8
191.04562	2.3
196.02531	2.9
209.05725	7.7
225.05194	27.8
226.05493	1.9
227.06726	2.4
235.95819	1.4
246.05035	1.5
247.95027	1.3
253.04684	60.8
254.05121	1.9
259.04001	8.8
262.47711	1.8
271.05719	21.1
287.03522	12.6
303.02890	13.3
305.04526	100.0
306.04803	3.7
315.19641	1.5
317.21170	4.6
348.17529	2.3
349.18192	3.5
399.23111	1.3
417.24973	3.8
459.25888	3.1
473.34528	1.4
621.24463	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	622.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51598	0.5
59.01378	1.6
61.98837	100.0
72.99328	1.0
74.05180	0.5
86.39729	0.6
91.84476	0.5
96.96034	1.2
98.21831	1.5
106.28545	0.5
123.04514	0.5
127.75679	0.5
133.02985	1.3
135.04559	2.3
148.92133	0.5
161.02382	2.5
164.02255	0.5
179.03503	0.6
197.04677	0.7
219.96664	0.5
265.02713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92719	2.2
59.01386	49.4
61.98840	4.8
69.10002	8.8
69.10411	4.9
71.01378	4.4
72.99320	4.8
79.95744	4.1
80.05067	5.5
96.96021	90.4
97.95952	2.9
98.21890	5.0
98.95610	2.5
99.92560	3.0
106.06614	8.7
108.04576	4.0
116.92840	5.0
122.06168	2.8
132.97354	2.4
133.02956	7.9
134.06149	35.4
135.04517	8.9
136.07664	2.7
146.06177	4.7
148.04045	3.2
152.07195	7.8
161.02481	17.5
162.02786	3.2
174.05553	4.2
179.03493	3.8
180.06659	9.1
188.07175	20.3
197.04652	2.3
211.08748	4.2
225.10326	8.4
227.11925	5.4
238.07549	2.7
249.10437	2.6
251.08449	3.3
251.11850	2.6
253.09875	8.7
265.09851	4.2
267.11371	6.1
277.09778	8.4
278.10605	3.4
279.07794	5.6
279.11407	3.9
292.08499	3.3
293.09256	4.4
294.10272	4.5
295.10947	35.0
305.09274	4.3
307.10892	26.5
321.08826	2.6
349.98639	2.3
353.57394	2.5
355.63498	2.1
375.72003	2.6
400.16824	4.0
414.09317	2.4
442.17755	29.1
460.18503	6.6
460.24664	2.5
463.55170	2.6
486.16714	8.7
502.19931	100.0
503.20105	4.2
546.18866	99.0
547.19073	6.4
578.21667	11.7
621.40253	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	622.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
69.07217	11.6
71.88286	1.4
98.21860	2.8
102.95670	2.4
103.01514	80.2
305.85065	1.5
313.37744	1.6
390.99533	1.6
398.09125	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	622.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67786	0.4
59.01385	100.0
60.01707	0.6
65.39905	0.4
69.05891	3.0
75.00883	0.7
78.95912	0.5
81.59853	0.4
81.84270	0.5
90.29757	0.4
102.95686	1.7
103.01508	83.6
104.01849	0.5
136.51978	0.4
175.19543	0.4
186.83081	0.4
193.45082	0.4
204.62569	0.4
232.79160	0.4
247.53336	0.4
279.23157	1.6
334.03079	0.4
410.39148	0.5
504.30969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81410	0.5
53.91408	0.4
59.01387	4.4
69.20993	2.1
69.21405	0.7
71.01387	1.3
72.99316	4.1
77.91133	0.4
87.00883	8.6
96.96041	1.3
103.00414	1.5
105.01955	0.9
105.03484	0.6
109.02942	3.5
121.02988	0.7
121.05800	0.4
124.21547	0.5
128.03569	1.3
130.00482	0.6
133.02962	6.4
134.03812	2.3
135.04541	64.0
136.04863	1.8
143.04683	1.3
145.02950	1.2
149.00934	24.0
149.02414	4.0
150.03261	1.1
161.02461	24.6
162.02907	0.6
173.02559	0.6
174.03206	1.2
177.01955	0.9
179.03513	100.0
180.03828	1.9
197.04538	0.8
211.07747	0.8
221.06210	0.5
237.05566	1.1
239.07176	1.3
249.05562	0.8
250.06360	2.0
255.06543	0.6
265.04984	0.6
266.05878	1.1
267.06644	29.9
268.07043	1.0
283.06168	3.4
293.04337	0.5
306.07739	3.1
307.07837	1.0
311.05655	40.2
312.05960	1.7
313.07321	1.1
341.06665	5.0
344.36719	0.5
375.27441	1.2
447.10593	1.5
491.09958	5.8
579.33667	1.0
610.82184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3442
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
53.94413	1.0
55.01883	1.8
57.03453	1.8
59.01384	25.4
61.98836	1.1
69.03465	2.2
70.58843	1.1
70.96846	1.3
71.01388	23.1
71.05048	1.6
72.99329	1.2
73.02954	7.1
83.01410	3.5
83.05029	1.9
85.02972	6.6
87.00880	8.7
89.02448	9.5
95.01399	2.2
95.04956	0.9
95.92997	0.9
101.02464	14.7
106.04267	1.4
109.06602	2.0
111.08174	2.4
113.02466	8.3
119.03523	2.4
125.02444	2.4
125.84238	1.0
135.04575	1.7
135.08163	1.8
137.09731	2.7
143.03514	1.9
145.05077	4.5
161.02480	2.7
161.04553	5.8
161.09756	1.2
167.14404	1.3
177.12744	1.1
179.05647	2.4
203.14420	2.5
205.16008	1.0
211.13506	1.4
213.14996	2.4
231.17400	1.0
235.08252	14.8
239.16534	2.3
247.13451	1.2
247.17108	1.2
265.18097	1.9
275.16464	1.9
277.18063	1.4
315.26874	3.0
317.28436	1.0
325.25415	6.2
333.28085	1.7
341.24850	3.7
343.26474	7.9
351.23242	4.1
359.25961	11.5
361.27499	1.9
369.24399	16.6
377.27048	1.3
387.25443	61.1
388.25888	4.1
405.26520	49.7
406.26761	3.5
479.30005	3.2
595.35156	2.7
605.33142	2.4
623.34418	100.0
624.34772	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	623.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
57.03448	1.5
59.01386	28.5
61.98799	1.5
69.03446	1.3
70.25230	1.4
71.01391	22.5
71.05021	1.5
73.02950	4.5
76.92855	1.3
83.01379	4.0
83.05047	3.5
85.02948	8.1
87.00883	8.0
89.02444	9.2
95.01391	1.8
98.21895	3.2
99.00920	2.4
101.02449	15.1
109.06593	5.1
111.08163	2.6
113.02474	8.5
119.03513	2.2
127.10326	1.4
130.88618	1.5
134.86942	1.3
135.04539	3.2
135.08250	2.1
137.09712	3.5
139.10022	1.4
145.05084	5.6
161.02423	2.3
161.04591	5.3
179.03549	3.4
179.05573	2.7
192.18584	1.4
229.35893	1.5
231.17577	3.4
235.08296	14.7
239.16502	2.7
265.18140	2.7
275.16559	3.3
295.21527	1.4
315.26883	4.0
325.25452	7.6
341.24869	6.4
343.26361	10.2
351.23407	3.2
359.25897	15.5
361.27637	2.2
361.97113	1.4
369.24390	17.5
387.25436	65.2
388.25797	5.4
405.26517	57.2
406.26718	2.7
479.30182	4.1
529.00415	1.5
560.09497	1.7
605.32648	2.1
623.34497	100.0
624.35272	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	623.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14718	2.0
56.43561	2.0
57.03455	1.9
58.84550	1.9
59.01385	100.0
61.98829	3.2
69.43692	10.5
71.01389	43.3
72.99308	8.5
82.53025	2.5
83.01373	2.4
83.05032	4.0
85.02966	11.4
87.00851	3.8
89.02446	53.1
95.01385	4.6
96.96024	15.3
99.04530	41.5
100.93420	1.9
101.02451	20.4
107.05041	2.5
109.02952	4.3
113.02449	21.6
116.92862	8.2
119.03507	19.4
119.04983	3.5
123.04494	3.7
123.08141	2.5
131.03519	2.4
133.02986	14.2
134.03734	3.1
135.04546	24.0
135.08186	8.1
136.04828	2.7
143.03520	6.5
149.02370	2.6
160.01663	2.8
161.02458	29.6
161.04546	5.3
179.03552	11.4
179.05614	7.7
191.14423	11.5
197.04610	6.1
235.13416	86.0
236.13663	3.1
240.16930	2.8
249.05919	3.8
271.11600	2.9
283.05927	2.3
291.02820	2.7
293.04617	6.1
311.05502	10.6
321.04028	5.2
336.20508	2.2
357.26395	8.7
375.27631	2.5
443.28027	49.4
503.28531	3.2
521.29462	11.5
539.31342	4.9
579.32971	8.9
623.35443	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	624.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20201	2.3
59.01387	6.2
70.96357	3.7
71.01432	3.0
72.99311	17.8
78.46744	2.2
85.99963	36.5
112.01562	28.3
113.02470	2.7
116.92863	3.9
117.03482	5.5
122.03777	2.3
123.04491	2.2
133.02994	12.7
134.03789	4.3
135.04530	23.8
135.57327	2.6
145.02925	3.5
151.00723	9.7
151.04015	6.3
152.00230	7.8
161.02452	35.9
179.03526	15.5
191.99670	4.0
202.81493	2.5
219.00861	10.0
223.00372	2.9
238.00232	6.2
243.21893	2.8
259.04108	6.7
268.07367	3.4
329.03394	6.8
347.04340	6.8
355.06235	3.7
357.02914	5.9
371.05334	3.1
375.03973	25.6
400.04434	11.5
415.04221	3.2
416.04132	26.0
418.04663	11.5
444.03516	5.8
462.04648	100.0
463.04840	5.7
490.10663	5.0
536.34833	4.7
623.37714	3.5
624.07867	33.1
624.74670	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	625.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22883	0.9
63.34681	1.0
65.61063	0.9
71.42892	1.2
72.99313	19.3
76.12506	1.1
83.19004	1.1
87.00875	3.6
99.73538	1.1
107.05029	3.9
108.02200	1.1
109.02962	19.6
112.09837	0.9
112.98771	1.1
121.02959	1.8
121.34656	1.0
123.04556	7.7
123.28412	1.0
128.90152	2.1
133.02946	2.9
134.03731	7.1
135.04536	100.0
136.04877	1.1
143.93640	0.9
145.06677	1.6
149.02455	1.4
150.03152	1.3
151.04028	1.4
153.97476	1.0
157.02956	2.7
157.06606	2.3
159.04530	4.7
161.02464	11.7
177.81718	1.0
179.03516	25.5
185.02470	12.8
197.04550	27.0
203.03531	4.4
204.00208	1.2
209.11685	1.1
222.06882	1.1
223.07704	3.7
224.08287	1.3
239.07117	2.5
249.09325	4.8
250.06285	1.3
251.07167	14.1
251.10745	2.0
252.07735	1.4
253.05002	2.3
265.08719	4.1
267.06870	1.6
267.10245	9.1
269.08167	3.7
270.49084	1.0
275.07297	1.5
277.08655	2.5
279.06924	1.8
279.95572	1.1
283.09598	1.2
285.11407	1.7
293.08179	7.4
295.06064	11.2
295.09723	5.6
311.09235	10.3
313.07257	10.9
321.07623	9.8
329.10236	2.9
339.08664	4.1
365.06848	5.8
383.07651	6.8
431.12213	1.1
491.13470	4.2
563.12048	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	625.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81786	0.6
52.33247	0.5
52.90714	0.6
65.03966	0.7
66.96536	0.6
68.71902	0.6
69.62460	0.6
72.99316	21.3
87.00887	2.3
88.98801	0.8
89.41562	0.6
89.61150	0.7
90.84457	0.7
95.05017	0.6
96.96017	2.9
98.21809	1.6
107.05020	2.2
108.02190	1.9
109.02959	20.9
117.03471	1.5
121.02962	2.5
123.04547	10.7
133.02969	11.5
134.03758	6.3
135.04539	100.0
136.04831	1.1
137.02444	2.5
145.02974	0.7
145.06543	1.2
146.03844	0.7
147.04538	1.9
149.02464	2.4
149.06096	0.9
150.03246	1.1
151.04036	2.3
156.83305	0.7
157.03012	1.9
157.06627	1.8
159.04526	5.1
161.02457	44.9
163.04013	1.1
173.02446	1.2
173.06032	1.2
174.03198	0.8
175.03952	0.9
177.01871	1.0
179.03514	28.7
183.04613	0.7
185.02432	12.2
185.06131	1.1
187.03976	1.0
197.04570	26.7
197.06371	1.4
198.06917	0.9
203.03542	4.4
213.05446	0.8
222.06868	1.2
223.07646	3.0
224.04845	0.8
224.08418	0.9
225.05577	0.7
237.05498	1.3
239.07193	2.4
241.01358	0.7
241.08823	0.8
243.03052	1.0
247.07753	1.5
249.05847	0.7
249.09258	4.6
250.06386	2.1
251.07166	12.2
252.07913	2.0
253.05099	2.6
255.03046	1.8
257.04562	7.0
265.05042	1.6
265.08704	3.6
267.06711	2.9
267.10321	8.8
269.08389	3.3
271.02563	3.3
277.05344	0.9
277.08707	2.2
278.05759	1.0
285.11209	1.3
293.04657	2.2
293.08249	6.5
295.06146	11.3
295.09744	5.2
300.02698	6.7
301.03564	1.9
307.06714	0.8
311.05835	1.2
311.09238	11.0
313.07205	13.4
313.10751	1.0
314.07666	0.8
319.06216	1.0
321.04059	3.0
321.07736	10.8
329.10352	2.1
339.08893	3.9
359.07886	2.0
365.06607	5.1
383.07669	4.4
409.05139	0.8
419.10144	1.3
427.07172	1.5
429.09689	0.8
456.70673	0.7
463.09003	1.5
473.08466	1.5
491.13760	2.5
563.11639	5.0
625.14105	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	625.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46958	0.3
57.03444	1.1
59.01385	2.2
69.51062	0.6
69.51460	0.6
72.99311	0.8
77.03973	0.3
82.95437	0.4
91.02544	0.3
93.03471	0.5
95.05025	0.3
96.96018	0.5
99.04524	1.2
99.92582	0.7
100.93372	0.6
101.02448	0.5
105.03479	0.4
109.02970	3.5
115.92085	1.1
116.92868	5.6
117.03493	0.3
121.02930	0.7
123.04564	3.0
125.02440	0.4
132.02180	1.1
133.02974	22.2
134.03673	0.4
135.04530	4.5
137.02461	0.3
145.02925	0.9
149.02478	4.6
150.03249	5.7
151.04036	4.2
159.04439	0.5
161.02461	100.0
162.02795	2.3
173.02510	0.6
174.03210	0.9
175.03951	0.4
179.03519	3.0
211.07671	0.4
221.06134	0.4
237.05612	0.5
250.06279	0.8
253.05019	0.4
255.06761	0.5
265.05118	0.6
266.05960	0.4
267.06644	6.9
268.07162	0.6
269.08148	0.7
283.06171	2.2
293.04608	0.4
295.06195	1.1
311.05640	9.0
312.06140	0.5
313.07211	25.7
314.07599	1.0
400.22430	0.3
423.17807	0.3
445.09470	0.7
452.16357	0.4
475.10706	0.4
541.04602	0.4
625.19287	0.7
648.24701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93539	1.4
59.01378	1.4
72.99329	7.8
78.65822	1.2
80.94907	1.1
93.03475	2.2
96.96024	3.2
98.21876	4.9
108.02177	1.8
109.02967	81.2
110.03312	2.8
117.54308	1.3
121.02966	5.6
123.04543	8.5
133.02971	3.7
133.86629	1.4
134.03709	2.5
135.04536	24.6
136.04918	1.8
137.02452	1.3
145.03006	2.4
147.00890	1.5
147.04530	4.8
149.02486	10.4
150.03227	2.6
151.04012	6.6
157.02957	4.2
158.03754	2.2
159.04515	12.9
161.02437	10.8
173.02461	7.0
175.03943	2.4
177.01968	2.6
179.03514	25.4
180.03993	1.5
185.02463	57.6
186.03241	10.5
193.06610	2.7
197.04536	7.9
201.01883	2.9
203.03491	2.0
209.06085	1.5
219.04625	1.6
220.05357	2.6
221.06075	6.0
224.04674	2.9
225.05615	3.5
232.05275	1.6
235.04218	1.4
237.05598	3.5
239.07220	2.6
241.05006	1.8
247.03944	2.9
248.04778	5.1
249.05563	13.8
250.06161	3.5
251.03525	4.4
251.07085	1.4
252.04143	2.8
253.05092	1.8
254.05775	1.7
262.06296	1.3
263.03531	1.6
264.04279	2.7
265.05008	8.8
266.05695	3.4
267.06656	12.1
269.08273	14.6
275.03510	2.7
276.04318	3.4
277.05106	19.5
278.05606	3.3
279.02997	12.0
279.06537	3.9
280.03778	4.9
283.06100	2.3
291.06702	3.7
293.04626	22.8
293.07745	1.2
294.05093	5.4
295.06155	100.0
296.06482	5.5
303.02963	1.8
304.03427	1.8
311.05585	5.6
313.07129	5.4
321.04071	51.5
322.04282	4.0
323.05487	1.6
335.05557	4.6
339.05093	31.5
351.05075	1.8
401.10117	8.5
403.11920	1.5
422.88434	1.3
427.08069	1.4
429.09668	2.6
444.07928	1.9
445.09167	14.4
473.08841	28.9
474.08969	2.2
475.10361	17.6
572.33740	1.4
618.65186	1.4
625.13489	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	625.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49604	0.3
52.62293	0.4
55.83680	0.4
56.55560	0.4
57.96439	0.4
59.01377	0.6
61.16033	0.4
61.57162	0.4
61.98837	0.7
69.81615	1.1
109.02967	3.6
121.02974	1.3
123.04516	2.5
124.82454	0.4
132.02145	0.9
133.02968	20.1
134.03241	0.5
134.35999	0.4
135.04532	2.5
144.93713	0.5
145.02989	0.6
149.02460	6.0
150.03242	6.3
151.04027	5.3
159.04501	0.6
161.02460	100.0
162.02780	2.0
179.03545	2.4
250.06274	0.6
255.06479	0.6
267.06671	8.1
268.07404	1.0
269.08206	1.6
272.98727	0.5
283.06226	1.8
295.06223	0.9
311.05630	10.9
312.06113	0.5
313.07199	28.8
314.07513	1.5
445.09341	1.0
463.10532	0.5
583.97644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80307	1.1
59.01381	2.6
62.22873	1.2
69.35827	5.7
72.99310	17.7
89.03970	1.3
93.03426	1.4
108.02180	3.8
109.02958	94.3
109.33356	1.3
110.03298	2.1
117.03497	6.5
121.02972	3.4
123.04536	6.9
129.03526	1.3
131.45790	1.5
133.02927	5.6
134.03746	4.1
135.04538	33.6
137.02432	1.8
142.26550	1.2
145.02966	5.5
147.04549	8.0
149.02446	3.8
150.03242	1.7
151.03989	4.1
151.68127	1.3
157.02974	7.0
158.03748	1.6
159.04543	12.1
161.02475	7.5
173.02489	9.4
174.02979	1.2
175.03987	1.4
177.01904	2.5
179.03508	15.8
180.03860	1.6
185.02461	100.0
186.03177	12.1
187.03949	1.4
193.06601	2.8
195.04437	1.3
197.04568	12.6
197.06157	2.0
203.03461	1.7
209.06090	3.4
211.07648	1.9
219.04541	3.2
220.05238	2.4
221.06110	6.8
222.06595	1.3
223.04073	1.9
225.05528	1.7
232.05055	1.3
236.04498	1.7
237.05542	5.3
238.06082	1.7
239.07039	2.7
247.04027	4.4
248.04820	4.4
249.05556	10.4
250.06160	5.5
251.03494	3.9
252.04121	1.5
253.04964	2.0
264.04153	3.8
265.05057	10.3
266.05786	4.1
267.06662	23.2
269.08234	3.0
275.03555	1.6
276.04227	3.7
277.05038	10.7
279.03052	9.5
280.03616	4.2
292.03799	3.0
293.04617	42.3
293.07941	2.4
294.04965	5.4
295.06146	75.1
296.06619	6.1
301.21710	1.8
303.51175	1.4
311.05609	34.6
313.07178	3.9
321.00531	2.5
321.04062	31.8
322.04440	5.1
329.06625	11.2
331.08206	9.7
331.32019	1.4
339.05096	22.4
340.05411	4.9
346.02557	1.3
351.04990	1.6
401.10562	1.6
427.08319	2.0
429.09332	1.4
445.09872	1.9
473.08755	19.0
491.09805	2.2
491.49005	1.3
622.15240	1.5
625.13245	1.9
652.95728	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76631	0.3
59.01369	0.3
69.04525	1.4
69.04955	1.4
72.99320	0.7
80.67890	0.4
81.03486	0.4
91.01934	0.5
93.03466	1.7
95.01408	0.5
95.05050	0.7
96.96064	0.4
108.02188	1.6
109.02966	57.8
110.03322	0.9
117.03495	0.4
121.02948	4.3
122.03746	0.5
123.04543	2.7
129.03497	0.7
133.02994	1.5
134.03741	0.7
135.04549	6.4
139.04007	0.7
141.03519	0.6
145.03003	2.2
147.04549	4.4
149.02466	9.7
150.03214	1.1
151.04030	5.6
157.02983	4.4
158.03745	1.6
159.04543	9.6
161.02466	4.8
173.02435	4.2
174.03082	0.6
175.04004	1.1
177.01945	1.7
179.03519	23.0
180.03928	1.0
185.02458	44.7
186.03195	6.4
187.03958	1.1
189.02017	0.6
193.06590	0.4
197.04553	0.9
201.01997	1.1
203.03526	2.8
221.06119	1.4
223.07715	0.7
224.04848	0.8
225.05641	1.9
226.02710	0.6
227.03677	0.5
229.04985	0.7
233.06117	0.9
237.05577	0.9
238.06407	0.5
239.03552	0.6
239.07224	1.5
241.05110	1.2
242.73564	0.4
247.03937	0.4
248.04863	0.9
249.05600	3.4
250.06393	2.4
251.07198	1.7
252.04343	0.5
253.05080	2.7
254.05859	1.2
255.06592	0.7
261.05682	1.0
262.06412	0.5
263.07104	0.5
264.04144	0.5
265.05066	1.2
266.05856	1.4
267.06641	9.5
268.06995	0.5
269.08212	13.4
270.08600	0.7
274.06360	0.8
276.04367	1.2
277.05103	5.7
278.05801	1.6
279.03098	1.2
279.06641	3.8
280.03778	1.5
280.06546	0.4
283.06085	0.7
290.05911	0.5
291.06680	4.8
292.07349	0.7
293.04614	4.5
293.08090	1.0
294.05240	1.6
295.06140	100.0
296.06470	4.0
307.06198	0.7
309.24524	0.4
311.05692	2.2
313.07156	4.0
317.59076	0.5
321.04007	2.8
322.04700	0.5
323.05719	1.8
335.05618	4.0
336.06412	0.5
339.04993	2.1
341.21536	0.4
401.10349	13.5
402.10599	1.4
403.11856	1.5
417.09390	0.5
427.08081	0.6
445.09302	16.7
446.09781	1.2
447.10880	1.1
473.08545	2.2
475.10422	16.1
476.10687	1.1
515.10376	0.5
563.13635	0.5
581.14636	0.5
597.13873	0.6
625.13605	2.6
625.22516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1417
Annotation	Tricetin 3',5'-diglucoside
Peak:m/z	Relative Intensity
65.00334	0.9
69.67598	1.4
69.67976	1.1
70.44827	0.5
83.01419	1.1
92.94942	0.6
102.21176	0.6
103.08070	0.6
107.01411	1.6
109.02972	1.2
119.60760	0.7
121.02986	0.6
133.03006	1.5
135.04533	3.9
151.00375	8.1
161.02464	3.4
167.44090	0.9
175.00507	0.6
178.99916	1.4
179.03539	1.3
183.04488	0.8
185.02438	1.0
186.24550	0.6
187.04042	0.9
197.04541	1.2
199.04034	3.3
211.03995	0.8
215.03531	1.9
226.02678	0.9
227.03566	3.0
243.03043	4.1
254.02074	0.6
255.02997	2.3
271.02512	56.3
272.02982	2.4
299.01993	100.0
300.02695	14.8
301.03564	45.3
301.07126	1.6
302.03958	1.1
313.03668	0.9
336.75037	0.6
343.04501	1.4
462.08102	30.2
463.08875	44.0
464.09164	2.3
488.03671	0.7
625.14160	78.8
626.14612	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	625.2506
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
57.03445	5.8
59.01388	59.4
68.10162	1.7
69.37508	6.2
69.53423	1.6
71.01385	18.4
72.99326	3.5
73.02956	3.7
79.05537	1.9
83.01395	3.7
83.05028	5.8
85.02945	4.3
87.00886	21.1
89.02453	17.7
95.05006	1.6
96.96011	3.7
97.06602	3.7
99.00885	1.7
101.02466	11.2
107.05046	13.4
113.02461	8.6
113.06009	1.6
117.03484	7.9
119.03515	7.7
119.05062	1.8
120.05829	8.9
121.02903	2.0
122.03741	4.6
123.04541	3.2
133.02979	6.1
135.04536	13.5
143.03433	2.2
145.02971	40.8
146.03741	7.6
146.07390	2.7
147.04521	9.8
150.03252	3.1
161.02466	33.9
161.04510	2.4
161.09734	32.7
161.13361	14.3
162.03247	45.4
163.04036	14.4
163.11273	6.9
165.05557	4.2
177.05586	16.6
179.03502	2.8
179.05605	4.7
180.04343	14.6
187.11293	38.1
189.09225	28.5
195.06638	21.4
197.04623	3.9
200.41977	1.8
203.10782	6.8
205.12321	16.1
206.12839	2.3
207.10313	11.4
219.06564	3.1
223.13406	7.0
229.12399	2.3
231.10289	3.1
248.69374	1.6
249.11351	25.4
267.12418	13.0
321.04013	4.0
339.10818	2.2
343.10153	4.6
357.11926	35.5
357.54886	2.3
369.15564	5.0
426.07471	1.6
429.17963	4.2
473.09018	2.0
607.23987	39.0
625.25085	100.0
626.25708	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24345	0.8
57.03455	1.6
59.01387	35.8
61.98838	1.8
64.52174	1.0
69.17160	3.9
69.17559	1.6
71.01402	5.2
72.99303	3.8
73.02946	1.0
85.02957	1.4
88.98795	1.1
89.02427	1.4
96.96056	1.9
99.04547	6.7
101.02455	3.7
108.02200	1.6
109.02963	3.4
113.02477	1.9
117.03497	1.2
119.05109	1.4
123.04536	1.5
132.02153	1.7
133.02975	7.0
134.03757	31.5
135.04547	19.8
135.06741	0.9
135.78886	0.8
136.01729	0.8
147.04520	5.3
148.05304	4.1
149.06114	5.3
158.03792	2.1
160.01678	13.5
161.02467	12.1
162.03107	1.2
163.04041	1.5
165.12889	4.4
173.06129	2.1
174.03369	1.6
175.04022	19.2
176.04808	18.1
177.01944	3.1
177.05396	1.2
178.02756	4.5
179.03575	7.0
185.02531	0.9
191.07158	20.1
192.04346	2.1
192.07388	1.3
193.05072	31.3
197.04607	4.8
207.06636	5.6
207.13907	7.8
209.11835	19.7
217.05055	1.4
220.03795	3.1
222.49374	0.9
225.15012	4.3
235.06129	37.6
251.12961	4.8
265.07239	13.9
269.13974	100.0
270.14288	2.6
287.15277	1.2
295.08356	14.9
321.04187	1.4
355.10422	7.0
449.20334	11.2
463.20209	2.7
473.08835	1.3
495.24808	1.4
557.16089	1.2
565.23553	1.0
596.76532	1.0
625.25061	36.9
626.25635	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	625.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
69.92191	3.6
72.67168	1.7
77.96946	1.5
91.33163	1.7
98.21981	2.6
129.36861	1.6
141.45859	1.9
149.96799	1.8
161.02359	2.0
176.20107	1.7
222.36374	1.9
222.75180	1.6
311.06012	1.8
327.46088	1.7
383.86679	2.0
397.34543	2.0
515.78064	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	625.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39888	0.6
59.01386	100.0
59.49868	0.6
70.46048	1.4
73.02977	0.7
80.88569	0.7
98.21964	0.8
99.04544	7.4
109.03010	0.8
117.05595	1.5
133.02974	5.8
133.31131	0.7
133.79021	0.8
135.04604	1.1
139.43982	0.7
149.02505	1.4
150.03247	2.1
151.04100	2.0
161.02458	23.5
162.02846	1.0
179.03621	1.1
221.15578	1.1
267.06818	2.3
268.07303	0.8
275.35721	0.7
311.05713	3.0
313.07254	7.7
317.21277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.36218	8.7
69.36621	18.2
71.01392	15.6
72.99307	15.5
85.02930	5.6
88.98817	18.6
99.16439	4.5
101.02436	9.1
109.02956	12.5
118.92432	4.6
123.04539	9.4
133.02982	38.0
134.03793	6.8
134.65419	4.5
135.04558	42.8
135.91493	4.6
137.02551	5.0
161.02454	31.2
161.56544	4.8
177.01945	10.2
179.03516	19.6
183.50972	4.7
191.03647	4.7
197.04570	12.7
237.33046	4.9
269.10364	8.6
270.04007	34.0
280.15140	4.7
295.06158	7.5
304.69876	5.2
313.06830	4.8
510.25906	5.2
651.11444	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	626.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36810	0.8
59.01390	13.1
61.98837	100.0
62.71732	0.7
70.37022	0.7
71.01399	3.1
72.99319	5.9
79.11869	0.7
89.02477	2.5
96.96026	0.9
98.18833	0.7
101.02465	1.5
109.02987	1.8
113.02434	1.0
123.04523	2.1
132.02223	0.9
133.03004	3.2
134.03801	4.8
135.04553	13.7
136.04897	1.9
160.01688	8.2
161.02449	9.0
163.11311	1.4
175.04036	7.9
179.03526	4.0
193.05125	3.3
197.04584	3.8
202.05255	0.7
207.10393	2.6
235.06087	1.4
251.08231	1.1
294.70508	0.8
308.11096	1.3
321.04080	1.6
322.04675	0.9
339.05173	1.0
366.11807	1.0
366.15964	0.8
387.16672	24.9
388.16858	1.4
402.13757	1.1
427.11273	0.9
428.12018	2.2
445.12598	1.8
446.12756	3.7
519.09369	1.0
563.21423	35.5
564.21979	2.0
626.17029	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	626.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11592	0.2
54.38414	0.3
59.01389	4.0
61.98837	100.0
67.07040	0.3
69.40936	1.0
69.41319	0.6
69.73161	0.3
71.01395	1.0
72.99320	1.2
73.02961	0.5
75.16708	0.3
85.02953	0.4
89.02461	0.5
101.02481	0.5
109.02983	0.8
113.02463	0.4
114.02818	0.3
123.04549	0.5
133.02986	1.1
135.04532	4.3
136.04872	0.6
147.59926	0.3
160.01672	0.3
161.02478	3.5
162.02960	0.4
175.04071	0.3
179.03511	1.7
187.03856	0.3
197.04640	1.3
295.06091	0.4
321.04205	0.8
359.07675	0.3
420.11880	0.4
496.24713	0.4
522.30304	0.3
563.25629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28856	2.8
57.13419	2.8
57.50845	3.1
60.43876	2.5
65.07226	2.7
70.27953	6.9
72.99317	6.9
88.98797	9.5
98.22601	3.4
102.94740	2.8
104.31326	2.7
109.02960	58.6
135.04512	8.2
158.03706	3.5
159.04539	6.3
163.47168	2.9
179.03452	4.9
185.02461	26.7
186.03194	4.8
187.03784	3.4
197.04549	7.2
209.06210	3.4
239.07039	3.6
249.05605	5.1
252.04266	4.0
256.73123	3.0
265.05414	3.9
266.06006	3.2
267.06555	6.5
269.08121	5.5
277.05069	12.2
279.02945	7.5
280.03705	11.8
293.04599	5.7
295.06189	55.5
313.07388	3.7
321.03915	8.3
322.04373	6.9
339.05099	100.0
340.05627	5.5
474.08835	3.9
501.96558	2.8
625.17108	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	627.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21709	0.9
59.01380	2.1
61.97749	0.9
72.99318	5.4
79.08203	0.8
87.00882	1.3
96.96007	4.1
100.46372	0.9
107.05035	2.5
109.02970	7.3
119.03514	9.1
123.04574	2.3
123.30947	0.9
133.02974	2.9
134.03773	10.4
135.04541	100.0
136.04872	2.4
137.02437	11.8
159.04552	1.3
161.02454	5.9
179.03520	80.7
180.03822	2.1
185.02446	3.7
186.03122	1.5
187.04080	1.1
197.02708	1.4
197.04578	7.1
199.03981	1.5
207.02998	1.8
213.02019	3.4
214.02768	3.3
225.01918	1.6
225.03891	1.2
226.02776	1.5
231.02988	1.1
232.03915	1.0
241.01453	3.4
242.02242	6.2
243.03008	2.2
245.04559	1.1
247.06110	1.4
253.01575	1.5
255.03137	1.9
256.03726	2.2
257.04584	13.9
258.01709	1.6
258.41614	1.1
259.02423	4.7
269.00925	47.2
270.01343	2.1
271.02393	1.8
273.04037	1.2
275.05695	3.1
277.05103	1.2
279.02936	2.0
280.15002	1.0
281.06992	1.0
284.03131	2.4
285.04120	3.8
286.04987	1.1
295.06036	2.5
301.03601	21.3
302.04263	2.8
309.12390	1.2
313.03625	1.3
321.03970	4.0
327.05057	3.4
329.03036	21.2
330.03857	4.1
339.05115	2.8
344.05408	18.7
345.06180	14.8
347.04163	4.5
349.09323	1.0
359.07755	89.7
360.08081	3.5
362.06595	1.9
376.04272	4.9
377.08823	14.2
419.09906	1.0
447.09335	12.1
465.10400	47.3
465.17017	2.4
466.10849	3.0
524.10303	1.2
627.14807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18027	0.6
123.04549	3.4
132.02187	1.4
133.02980	25.6
151.04024	4.9
161.02464	100.0
162.02802	2.0
242.07893	0.8
269.08237	2.8
313.07190	17.7
314.07401	0.8
402.66046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1571
Annotation	Taxifolin 3-galactosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
57.63646	3.6
59.01382	3.6
61.12751	3.7
62.78488	3.8
71.40376	3.7
81.03452	6.2
95.01338	4.1
99.04490	7.8
108.02277	5.7
109.02973	46.0
117.54440	3.9
121.02962	12.0
123.04520	5.3
125.02473	27.3
137.02492	20.3
143.76962	3.5
149.02486	31.0
161.02451	7.7
163.00389	5.1
164.01276	4.6
165.01955	35.5
166.02760	19.3
167.03502	56.0
175.04057	13.6
176.01239	4.9
177.54903	4.2
181.03947	4.7
191.03455	4.0
193.01419	28.4
199.04039	13.9
217.05087	10.8
220.63623	3.6
223.04131	4.6
241.05141	24.3
243.02971	7.1
259.06161	5.7
267.02939	13.5
284.03265	4.8
285.04062	85.2
303.05072	62.6
329.08749	26.5
339.07227	7.3
355.06604	14.2
383.65823	4.8
447.09186	7.6
453.24738	3.6
465.10443	100.0
466.10760	5.1
627.15662	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	627.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31017	1.7
56.95743	1.6
59.01376	6.9
69.32545	5.2
69.32939	3.2
71.01386	5.7
75.52843	1.8
81.03465	4.1
83.01385	2.2
89.02451	4.2
90.95863	1.7
93.03478	2.4
95.05037	3.3
96.61242	1.7
97.02958	4.4
98.21927	2.8
99.04507	3.6
108.02161	3.7
109.02975	39.0
121.02957	6.8
124.01671	2.1
125.02460	27.9
135.00891	3.4
137.02458	20.1
138.03221	2.8
139.03928	1.8
146.25240	2.1
148.01607	2.2
149.02448	34.8
152.23106	1.7
161.02481	3.6
163.00394	6.2
163.03966	2.4
164.01175	11.3
165.01932	33.4
166.02731	15.9
167.03535	27.2
167.04935	3.1
174.03255	2.2
175.04013	13.8
176.01138	7.6
177.01904	4.6
181.31837	1.7
190.99902	19.6
191.03423	4.4
192.00700	15.5
193.01440	69.9
195.04443	4.0
198.03291	2.9
199.04033	10.0
201.01907	4.3
201.03943	2.0
217.05153	15.4
219.02940	2.1
222.43034	1.8
223.04053	11.7
227.03761	1.8
229.05110	2.3
239.03493	3.0
241.05136	22.6
243.02950	7.8
250.61203	2.0
256.03851	2.6
259.06244	2.1
267.03015	100.0
268.03268	2.0
284.03281	14.3
285.04080	80.6
303.02060	2.0
303.04977	12.2
309.03915	5.7
329.08762	19.6
339.07407	9.9
355.06741	53.6
355.11169	2.7
356.06873	2.2
447.09396	38.8
448.09619	2.5
465.10416	53.1
466.10620	3.3
517.12097	3.8
522.70905	2.1
531.69366	2.2
627.15692	8.2
628.16046	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	627.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52992	1.1
58.33945	1.1
59.01386	65.0
62.37634	1.1
72.07187	1.4
72.99313	3.8
88.98827	1.6
93.03471	1.9
105.03427	2.0
109.02930	1.4
121.02982	4.0
122.03749	6.4
123.04547	2.3
133.02989	7.4
134.03572	1.2
135.04567	12.2
137.02457	1.6
140.15471	1.1
147.04573	1.5
149.02469	24.2
150.03247	56.7
151.03944	2.5
153.22755	1.2
161.02464	30.0
162.02838	1.7
163.04160	1.6
164.04820	8.8
165.05597	76.9
166.05907	1.5
176.04790	5.8
179.03496	15.2
180.04314	6.0
191.07216	2.7
192.22337	1.2
194.05873	14.4
195.06645	100.0
196.06992	1.5
196.50377	1.3
197.04590	3.1
209.08212	37.0
313.07349	2.1
330.37390	1.4
334.52310	1.3
342.11185	4.9
357.09100	1.9
357.13477	35.2
358.13583	1.4
403.98663	1.3
405.15564	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	627.2833
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
58.02733	0.7
58.02988	11.4
66.03497	0.5
69.00944	1.0
71.02499	1.1
72.00916	4.2
74.02477	3.8
77.62910	0.5
82.01733	0.7
82.06615	2.8
83.02519	0.9
84.00900	1.0
91.05553	2.0
93.03464	5.3
95.02518	0.8
98.01244	0.9
106.04227	1.0
107.05042	2.0
111.01994	2.1
112.02775	0.6
112.07690	1.5
116.05071	11.8
117.03453	0.6
117.07113	0.9
118.06640	7.9
119.05045	20.5
121.02963	0.8
127.08788	0.7
129.10367	33.0
130.08763	2.5
130.39847	0.5
133.03058	0.5
133.05391	3.3
133.06303	0.7
134.05185	1.0
134.06134	9.2
135.04509	0.6
136.07690	2.2
139.08768	3.5
140.07198	1.1
142.06650	0.6
143.11926	2.3
146.06137	9.4
147.04543	1.1
151.08763	1.5
153.10371	0.5
155.08292	25.3
157.05322	1.9
158.06133	1.2
160.07648	1.4
161.02440	1.3
161.07217	1.8
162.05643	6.1
163.04034	12.1
164.07178	2.2
165.09131	0.5
167.08212	0.8
169.09872	4.2
170.06049	0.7
172.07661	0.7
173.07224	1.9
180.06685	41.9
181.06987	0.6
185.07198	3.2
186.05624	8.2
187.05138	9.2
187.10915	3.0
188.07179	3.4
189.06711	2.2
195.08159	1.2
198.06729	1.3
199.07516	1.3
200.05826	1.0
201.06770	0.9
203.08235	1.4
205.09764	2.6
206.08232	2.7
213.14000	9.0
214.12425	0.9
216.14009	1.5
222.09360	0.9
230.11928	1.0
231.07750	1.3
231.15102	0.9
232.13396	0.7
236.10846	1.0
241.08591	0.7
241.13429	2.8
242.11848	1.6
245.09299	2.6
247.14551	1.9
248.10817	4.6
249.16106	14.6
256.14615	1.3
257.10248	0.9
257.12976	13.9
258.11319	1.3
259.12320	0.9
259.14651	1.1
264.10294	0.6
265.13565	1.0
271.14572	1.2
273.10364	0.7
275.11700	0.6
275.14166	5.8
293.15125	31.7
307.11209	0.6
307.14603	1.9
308.14093	2.1
315.13492	0.6
319.13138	1.2
319.16528	5.2
325.11905	1.7
332.14038	1.8
333.12372	0.7
335.16449	0.9
343.18201	28.5
344.18378	1.8
350.15121	1.2
368.16159	0.6
371.18082	0.5
377.18698	3.1
386.18774	4.1
393.15945	0.9
394.21381	2.4
402.21808	5.4
406.21304	0.8
421.17670	8.1
428.19812	2.4
438.20483	9.8
439.20547	0.7
440.20251	0.5
446.20932	2.9
465.19229	3.3
466.19714	1.6
506.24545	1.2
565.28778	0.9
583.29578	1.9
585.27588	1.2
609.27136	9.3
627.28314	100.0
628.28613	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	628.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85027	2.4
55.93125	2.1
55.95224	2.1
59.01382	7.2
61.98836	100.0
72.46424	2.3
72.99332	4.9
79.33892	2.6
98.21889	5.6
115.32936	2.3
133.02994	5.9
135.04544	7.3
147.98643	2.4
161.02489	23.0
179.03494	5.4
228.64488	3.1
348.72104	2.6
457.65567	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	629.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99657	0.7
57.03453	0.7
65.92671	0.9
70.08921	2.4
71.01381	1.1
72.99319	1.8
75.94501	0.8
96.96003	1.3
97.02962	1.3
109.02941	1.7
119.01344	1.1
121.02960	1.2
133.02948	1.0
135.04535	4.3
147.00848	1.0
149.02449	5.5
156.92708	1.0
161.02446	2.1
163.07669	5.4
164.04826	4.8
175.00362	5.5
175.11295	3.0
179.03525	2.0
185.02573	1.0
187.07687	0.9
189.12807	2.8
190.02715	10.3
191.03412	1.4
197.04491	1.2
201.09256	2.1
202.10017	16.0
205.05057	12.6
206.05687	1.0
206.09445	1.0
217.12378	7.9
223.06116	4.1
233.11858	1.1
260.10562	3.5
261.11328	100.0
262.11639	2.5
293.04630	1.3
295.08411	1.3
303.12128	1.1
321.04025	3.5
325.09354	3.1
367.10294	6.2
423.16718	3.4
585.23657	1.4
629.22070	5.7
634.48187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32779	1.1
61.98835	1.5
69.12052	6.9
70.68004	1.0
72.99309	1.6
74.66537	1.1
82.09222	1.3
93.03477	2.8
96.35467	1.1
98.22646	1.6
106.59549	1.0
109.02938	2.7
116.92867	1.9
121.02963	2.8
123.04535	1.3
132.02162	2.3
132.55174	1.0
133.02974	25.7
134.03703	4.1
135.04544	51.8
139.03993	4.6
140.06187	1.0
146.17931	1.1
149.02461	19.8
150.03258	11.5
161.02460	74.0
162.02879	1.5
179.03517	39.7
211.07748	1.9
220.53291	1.1
237.05693	1.1
239.07190	2.1
250.06210	1.7
266.05878	1.8
267.06650	51.7
268.07089	2.5
277.21747	1.0
283.06003	1.5
285.07693	3.1
309.00885	1.1
311.05652	26.0
312.06219	2.2
313.07150	5.0
317.21231	100.0
318.21619	3.5
449.23209	1.2
471.34769	11.9
585.28870	2.3
629.34631	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3855
Annotation	Macrophyllic acid
Peak:m/z	Relative Intensity
54.23015	0.4
58.66959	0.3
70.84333	0.6
78.48448	0.3
85.19625	0.3
90.54614	0.3
129.63852	0.4
185.06340	0.3
202.10010	0.6
214.09991	1.1
215.10738	0.4
227.10733	1.6
228.11559	0.7
247.54472	0.4
251.83421	0.4
259.17084	1.6
266.46082	0.4
283.17139	2.5
283.33020	0.4
299.16632	1.8
300.17133	0.8
314.18881	5.9
315.19662	100.0
316.20023	4.9
629.38531	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	630.9588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51169	0.7
58.33902	0.7
59.01384	55.0
71.38800	0.8
111.11996	0.6
132.98244	1.5
156.99913	0.6
174.99265	33.8
192.96053	0.8
198.50235	0.6
201.02571	1.3
203.02316	0.8
217.00308	100.0
218.00641	1.9
374.99234	78.9
375.99603	1.8
532.98218	11.3
533.98462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64579	1.6
54.41033	1.7
59.01379	5.4
60.51558	1.8
61.98818	2.6
67.99760	1.5
69.08581	4.2
69.08997	8.9
71.66897	1.5
72.99314	1.7
75.00879	17.2
77.78786	1.7
80.72155	1.5
99.00901	4.0
99.92605	14.1
116.92873	100.0
116.97219	2.8
117.01954	8.2
117.92861	3.1
135.04549	2.6
158.80188	1.6
160.84238	4.5
161.02467	2.3
167.13113	1.4
181.06200	1.8
194.42119	1.7
459.21616	1.8
471.34616	3.4
631.34045	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	631.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55498	3.0
54.25381	3.0
57.11016	3.0
59.01384	25.2
69.07550	11.4
69.07960	10.2
73.02945	4.6
75.00884	97.7
79.65207	3.1
99.00885	15.6
99.92611	14.2
116.92883	100.0
116.97271	9.2
117.01954	43.2
117.05577	7.9
178.89268	2.9
241.26144	3.3
292.88672	3.4
399.47574	3.5
421.09106	3.7
482.13162	3.5
530.81720	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	631.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
59.01376	4.9
60.03487	1.9
61.98820	2.1
63.34800	1.9
69.49174	6.0
75.05113	2.1
79.60543	2.0
81.03487	2.0
98.22628	3.7
99.04530	39.8
101.02460	34.1
119.60716	1.6
125.02464	9.2
135.04507	4.3
161.02415	4.1
174.36057	1.9
179.03539	3.1
185.71425	1.9
201.81885	2.0
425.30637	4.3
437.31274	2.1
455.31885	13.3
467.31323	9.8
469.33255	24.9
487.34332	70.6
488.34634	3.9
529.35388	34.9
530.35822	3.0
549.38733	2.1
631.38696	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	631.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39737	0.5
89.73467	0.4
101.51317	0.4
174.28418	0.5
214.10057	1.0
227.10817	1.0
228.11533	0.6
259.17041	1.6
282.16318	0.6
283.16989	2.8
299.16620	0.9
300.17514	0.6
301.18024	1.2
314.18936	1.3
315.19672	100.0
316.20163	4.4
317.20526	0.6
631.40161	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	633.3807
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
55.21560	1.8
59.60567	1.8
59.62389	1.9
66.43783	1.6
70.06915	3.7
121.42906	1.8
126.34986	1.6
133.02975	26.0
133.03918	3.2
135.04585	10.2
137.02448	2.1
161.02470	62.8
162.02902	2.1
224.76353	1.9
434.01129	2.0
541.24982	1.9
633.38031	100.0
634.38275	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	633.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54296	0.5
70.21237	1.4
70.33913	0.5
73.88512	0.5
75.52481	0.5
116.92877	1.2
132.02217	0.9
133.02972	24.6
134.03781	4.3
135.04543	7.3
137.02419	0.8
137.24770	0.6
147.02608	0.7
155.40588	0.7
161.02464	68.5
162.02774	1.4
178.02696	1.4
179.03470	1.3
179.69656	0.6
224.86107	0.6
279.23389	2.0
417.30685	0.6
441.57129	0.7
457.99554	0.7
483.09250	0.7
491.18704	0.7
497.33115	0.9
507.27292	0.8
633.38037	100.0
634.38257	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	633.3801
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
51.92202	0.9
56.09814	0.9
58.42075	0.8
61.98833	1.3
69.14079	5.2
101.44897	0.8
111.84711	0.8
117.03481	24.4
119.05046	10.1
145.02971	78.3
146.03308	1.4
160.84229	3.2
162.83919	2.7
163.04033	7.2
337.13281	0.9
412.38470	1.1
412.90833	1.0
471.34897	2.4
589.39154	1.5
615.37152	2.3
633.38062	100.0
634.19116	2.2
634.38391	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	635.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06084	0.6
57.20474	0.6
59.01383	46.3
61.02234	0.6
71.01387	26.9
72.99312	1.2
73.02936	1.1
79.43941	0.7
83.01410	1.3
85.02946	3.5
87.00874	3.3
89.02450	35.3
90.97163	1.0
93.03543	0.6
95.01400	1.4
99.00864	1.4
101.02454	13.5
107.32878	0.7
108.90230	0.9
111.00933	0.8
113.02464	11.5
118.96639	11.5
119.03500	11.8
125.02528	0.7
131.03528	2.0
132.98212	6.6
135.04526	1.3
141.00462	1.2
143.03545	2.6
146.99757	0.8
149.04686	0.7
156.98158	6.6
158.44952	0.8
160.97685	6.9
161.04544	3.8
168.98187	1.0
170.99751	1.0
172.97728	1.0
174.99284	1.6
179.05629	14.8
182.99838	1.2
186.99290	1.2
189.00854	1.0
193.05113	0.9
195.01541	1.0
198.99254	1.9
199.00931	1.1
210.99222	5.3
214.98828	0.8
215.98285	0.8
217.00336	9.1
226.98724	0.8
229.00366	2.4
231.00554	0.8
243.03552	2.2
259.01373	7.0
277.02466	1.6
330.39520	0.7
340.95999	1.5
341.10907	100.0
342.11362	3.4
349.57382	0.7
356.99078	1.1
363.07956	1.4
379.06012	4.1
413.69040	0.8
423.05402	1.1
439.07782	32.6
440.08176	0.9
477.03632	2.7
537.05023	1.1
582.71429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48223	0.1
61.38498	0.2
69.61511	0.7
72.99289	0.2
79.95743	3.3
82.51668	0.1
95.74667	0.1
96.96024	100.0
97.95946	0.3
98.21880	0.3
98.95649	0.3
109.02360	0.2
109.02974	1.1
135.04535	0.4
150.62825	0.2
163.25972	0.1
182.54865	0.2
185.02455	0.7
197.04579	0.2
219.12436	0.2
277.05054	0.2
295.06149	1.7
325.04160	0.2
339.01700	0.2
339.05179	1.5
493.11435	0.2
531.05975	0.3
575.05463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36862	0.1
70.94429	0.1
70.94798	0.2
79.95750	3.0
82.61930	0.1
96.96024	100.0
107.92091	0.1
109.02983	0.7
144.60796	0.1
151.19597	0.1
185.02434	0.4
203.88388	0.1
228.15712	0.1
267.06857	0.2
277.05035	0.1
295.06189	0.9
339.05124	1.5
463.79840	0.2
575.05237	0.2
601.66412	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	635.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
59.67652	0.1
61.01674	0.1
62.30165	0.1
67.05045	0.1
71.01375	0.2
72.99310	0.3
79.95747	3.2
89.02461	0.1
94.87286	0.1
96.96021	100.0
98.95638	0.3
105.03397	0.1
109.02982	1.5
123.04539	0.2
127.90870	0.1
133.02977	0.5
134.03719	0.1
135.04543	1.5
137.00638	0.1
151.04076	0.2
159.04507	0.4
161.02463	1.1
173.02472	0.2
179.03525	1.1
183.01163	0.2
185.02458	1.3
197.04654	0.3
295.06134	3.4
313.07217	0.4
357.06155	0.4
359.07660	0.4
389.03595	0.2
395.00488	0.2
493.11301	0.3
523.97290	0.1
635.07367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	1.5
58.99628	0.8
67.58389	0.7
72.00913	0.7
72.99322	3.3
74.02482	6.7
79.95734	1.6
80.05064	0.9
82.03000	2.0
83.01404	0.8
86.06126	0.7
86.99116	1.3
87.05641	3.3
94.98033	0.8
96.00943	0.7
96.04555	5.1
96.96021	46.2
97.04086	2.5
98.02469	3.7
99.05628	3.4
99.35197	0.7
100.00410	2.1
108.04579	4.5
109.02958	2.6
109.04051	1.1
110.02505	1.0
112.04062	3.9
112.07685	3.3
113.03572	1.3
116.01768	0.9
122.06118	1.4
123.04524	1.7
124.04051	3.2
125.03578	8.3
125.04459	1.0
125.04800	0.9
126.05632	1.5
126.44486	0.7
127.05177	2.0
128.28127	0.6
131.04576	0.8
134.03706	0.6
135.04544	7.1
137.07253	4.9
138.05635	2.1
139.05193	3.2
140.07173	2.7
143.04625	2.5
147.05635	1.9
150.01894	0.8
152.03583	3.3
153.06673	1.4
155.08278	4.8
160.00749	16.6
161.02472	2.5
163.05128	1.7
165.06723	11.4
166.05090	0.7
178.01462	3.2
179.03499	2.0
179.04825	1.0
181.06236	5.3
183.07771	2.4
185.02457	1.8
191.04657	1.9
196.02544	1.3
197.04454	3.3
198.04924	0.9
199.07283	1.3
209.05739	4.8
223.03745	1.1
225.05194	19.8
227.06784	1.4
233.08435	0.9
241.04773	1.1
253.04686	34.4
254.04991	0.9
259.03973	5.4
271.05737	9.3
279.02884	1.7
285.04083	1.1
287.03378	7.1
295.06174	1.9
296.06442	1.1
305.04510	100.0
306.04697	3.8
321.04001	2.8
322.04431	1.5
339.05075	2.1
635.22821	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	635.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37078	0.9
56.32043	0.9
58.02988	1.2
72.99316	4.6
74.02487	4.5
79.95741	2.6
80.53050	1.0
82.03011	1.8
83.01385	1.1
87.05633	1.5
96.04593	2.5
96.96024	100.0
97.04082	1.9
97.95962	1.3
98.02511	1.9
98.95609	3.6
99.05649	1.8
108.04565	1.6
109.02969	2.3
112.04078	2.7
112.07684	1.8
113.03575	2.0
120.04353	1.1
123.04571	1.9
124.04079	2.3
125.03568	4.5
127.05178	1.2
135.04539	6.4
137.07245	2.0
139.05200	3.4
143.04639	1.0
147.05663	1.6
152.03542	2.1
155.08325	2.4
158.29454	1.0
159.04495	1.1
160.00694	7.0
161.02478	4.6
165.06688	6.3
165.99779	0.9
178.01462	1.8
179.03554	2.9
181.06248	2.9
185.02412	2.1
191.04659	1.3
197.04489	5.2
209.05734	3.7
225.05228	11.2
230.35983	1.0
233.08556	4.3
253.04671	22.2
259.03922	1.6
265.54587	1.0
271.05750	3.3
280.03558	1.1
285.03912	1.3
287.03531	3.5
293.04642	1.8
295.06042	2.2
305.04514	55.6
321.04123	6.3
322.04358	2.1
336.46997	1.0
339.05212	2.8
511.45285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32801	1.0
59.01380	3.6
65.83847	1.0
69.03455	3.1
69.12282	6.3
71.01390	5.9
71.53852	1.0
72.18740	1.1
72.99312	3.0
74.02468	2.6
75.85535	1.1
81.03493	1.4
83.01385	2.0
85.02958	2.7
85.91714	1.0
87.05643	1.2
89.02454	1.2
91.05571	1.6
93.03488	2.1
96.04560	2.7
96.96012	16.9
97.02961	4.5
97.04084	2.0
98.02469	2.1
99.00837	1.4
99.05634	1.2
100.00385	1.2
101.02458	2.9
107.05058	1.7
108.04563	2.2
108.98512	1.1
109.02976	1.9
109.06590	5.8
112.04074	1.3
112.07735	2.4
113.02421	2.7
116.01698	1.2
119.01383	5.0
121.02953	12.6
123.04546	2.0
124.04001	1.4
125.03590	3.3
125.09727	8.5
132.02206	1.7
133.02963	1.4
134.03760	2.3
135.04533	10.2
137.07182	2.1
139.05119	1.9
140.07166	1.9
147.00888	5.7
147.04584	5.5
147.05589	1.5
149.02449	76.7
150.03122	2.5
151.03979	1.5
152.03453	1.0
155.08298	1.7
160.00761	5.2
161.02441	5.5
163.04044	7.0
164.04802	53.5
165.00232	1.3
165.01797	1.4
165.05540	1.7
165.06720	4.3
173.02519	1.3
175.00386	28.3
176.01125	1.4
177.02078	1.1
179.03503	3.1
179.07147	4.4
181.06297	2.3
183.07828	1.0
190.02728	78.0
191.03445	9.0
195.09697	1.1
197.04515	3.1
203.07161	1.9
205.05070	78.3
206.05847	11.8
207.03036	3.5
207.13873	1.5
208.03734	4.3
209.05858	2.2
221.08241	10.3
222.05286	1.6
223.06120	66.9
224.06555	1.6
224.30826	1.2
225.05112	7.9
235.02362	1.4
237.07687	4.3
247.06213	1.4
250.04868	4.5
253.04681	16.9
259.03992	2.6
259.08234	1.4
259.48291	1.1
265.07178	42.9
271.05588	5.0
287.03476	3.8
295.08377	8.3
305.04492	49.3
321.04004	3.4
325.09375	12.6
339.05145	2.4
367.10156	2.1
385.11435	1.6
429.17798	6.5
465.14154	4.7
591.24518	100.0
592.24792	6.0
635.23297	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	635.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77795	0.7
59.01385	11.9
71.01382	6.7
71.76326	0.9
72.99332	1.5
73.02922	0.8
85.02977	1.6
87.00897	1.0
89.02441	3.8
91.05571	0.9
96.96018	8.0
98.21784	1.4
99.04523	1.3
101.02474	4.1
107.05059	1.0
113.02439	3.4
117.03445	1.1
119.01348	0.9
119.03510	1.4
119.05029	2.7
121.02972	5.0
123.04528	1.6
133.02946	2.5
134.03741	2.9
135.04549	14.1
136.04897	1.8
145.02943	1.6
147.04515	2.2
149.02455	39.0
150.03178	1.7
161.02513	5.1
161.04340	0.8
161.13409	7.9
162.03159	1.0
163.04022	16.4
164.04810	32.4
165.01851	1.3
165.05588	5.7
166.02721	0.9
173.02406	3.0
175.00374	6.6
175.03986	1.3
176.01163	1.0
176.04750	1.1
177.01924	1.4
177.05515	6.0
178.06325	1.9
179.03607	4.2
179.04840	0.7
179.05669	1.3
179.07115	9.3
181.05118	1.8
187.11263	0.9
188.04842	1.7
189.01990	2.0
190.00961	1.5
190.02740	29.6
191.03558	13.7
192.04163	1.7
193.01439	4.6
193.05032	1.9
197.04568	2.0
203.07178	3.3
204.04414	2.0
205.05075	28.1
205.12381	12.7
206.05856	27.1
207.02991	9.0
207.06497	1.6
208.03802	10.8
209.04480	1.3
221.08212	27.4
222.05415	2.1
223.06125	61.8
224.06425	1.4
235.02502	3.6
235.06102	2.9
237.07706	12.1
247.06143	4.7
249.11336	8.2
250.04852	9.7
251.05357	1.0
265.07190	100.0
266.07507	2.4
277.07166	0.8
281.06543	0.8
282.70059	0.9
295.08282	44.5
296.08685	1.7
309.90158	0.9
311.07773	2.2
321.03970	1.0
325.09308	59.7
326.09613	2.2
336.92795	0.9
349.09076	0.9
367.10083	1.8
385.11386	17.1
385.18762	1.4
387.23953	0.9
429.17557	0.9
469.25922	0.8
489.15173	0.8
591.24469	2.0
618.78668	0.8
635.20197	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3801
Annotation	Eupteleasaponin VIII
Peak:m/z	Relative Intensity
55.01877	7.2
57.03436	3.6
59.01387	43.6
61.98836	2.1
70.69207	2.6
71.01392	58.6
71.05017	2.0
72.99297	2.5
73.02966	20.8
76.94349	1.8
83.01403	19.5
83.05019	1.6
83.66554	1.4
84.44670	1.7
85.02969	29.2
89.02450	12.7
95.01412	4.1
99.00904	7.8
101.02460	86.9
110.15896	1.4
113.02470	29.8
115.69654	1.5
119.03502	3.9
122.06120	2.5
135.04518	2.8
143.03499	6.9
152.07237	2.4
159.02988	5.7
161.04585	32.3
174.45963	1.6
185.98055	1.8
197.04376	1.7
239.17308	1.7
259.45621	1.7
278.49408	2.0
328.17404	1.7
411.28964	3.1
423.28943	2.5
441.30225	18.1
453.30200	12.2
457.29596	2.9
473.32782	69.6
474.32867	4.1
635.38080	100.0
636.38593	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	636.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78803	1.4
58.02973	2.8
60.34433	1.3
69.57047	6.0
74.02486	10.9
74.63842	1.3
82.95420	6.0
86.02499	3.9
86.99126	1.8
87.05628	1.8
87.85304	1.4
88.74325	1.4
96.96015	3.3
97.04057	2.9
98.22642	3.0
99.05651	8.6
109.02986	2.4
109.04153	1.6
109.86989	1.5
112.04037	1.9
128.03549	29.0
135.04524	3.5
135.05630	3.6
136.86830	1.2
138.04959	1.3
141.01306	1.2
143.04646	32.9
143.05746	2.4
146.04596	3.6
153.06718	3.0
160.00754	11.5
161.02467	3.4
167.04604	1.6
177.03386	2.8
179.04750	8.7
210.08836	7.4
210.10583	1.5
253.04654	1.7
254.07864	8.1
271.16949	3.9
272.08920	15.2
283.16907	3.4
288.06589	5.1
301.18063	5.4
304.06079	12.0
306.07678	100.0
307.07816	4.3
321.04019	3.2
331.19260	7.9
343.60513	1.6
362.15417	3.5
363.16278	3.8
431.14969	1.4
592.27118	1.7
608.14685	1.6
636.25940	40.6
637.25903	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	636.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23919	0.7
54.87072	0.6
55.06404	0.7
58.02985	4.0
63.81937	0.7
67.82655	0.7
69.47000	1.5
69.47400	2.3
72.99308	1.5
74.02486	9.9
80.91677	0.7
82.02991	2.0
82.95418	3.1
86.02508	3.5
87.05632	1.8
88.98820	1.0
90.00197	1.4
91.72688	0.7
96.96022	2.3
96.99622	0.6
97.04091	1.7
99.05667	6.4
101.07230	1.0
102.05596	0.8
105.99643	0.9
107.06159	0.6
109.02971	1.0
109.04086	1.0
109.07752	0.7
110.50648	0.6
112.04018	0.9
116.01803	0.7
123.05644	0.6
125.03603	0.8
126.01978	0.7
127.05129	1.4
128.03555	26.8
135.04527	2.2
135.05663	2.3
141.06696	2.1
141.07835	0.6
143.04643	29.0
144.01286	0.7
145.06203	1.2
146.04591	2.9
150.56516	0.8
153.06694	3.0
160.00748	6.4
161.02412	1.0
166.09904	1.3
167.04616	2.8
175.01826	0.8
177.03387	2.6
179.03371	1.0
179.04651	8.5
181.06236	0.8
185.02261	0.7
185.05731	1.3
192.07869	0.8
197.05731	0.7
210.08856	7.3
249.05591	0.8
254.07837	6.1
254.78728	0.7
265.04947	0.8
267.06491	0.9
272.08905	10.0
279.03180	0.8
284.81372	0.8
288.06708	3.9
292.93988	0.6
295.06186	1.1
301.18179	1.5
304.06091	7.5
306.07681	100.0
307.08005	2.4
321.04126	1.7
331.19144	4.7
346.17905	0.6
346.87589	0.6
362.15704	0.8
401.59253	0.9
636.25891	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	637.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14827	0.2
69.38696	1.3
72.99317	0.7
79.95758	3.2
81.95322	1.5
96.96027	100.0
97.95958	3.0
97.96500	0.5
98.21902	0.5
98.95610	53.5
98.96436	8.6
99.92615	3.3
100.93374	0.5
101.13189	0.3
105.35759	0.3
109.02973	2.4
115.92067	0.6
133.03003	0.3
135.04573	0.4
145.02979	0.9
149.02492	0.4
151.04092	0.3
155.00981	0.3
159.04538	0.4
161.02512	0.4
185.02434	0.9
204.95998	0.6
205.96840	0.7
206.97644	0.4
217.96747	1.4
218.97530	0.4
219.04543	0.5
219.98376	0.4
221.06311	0.3
232.05298	0.4
233.96269	1.5
234.96831	0.4
235.97801	0.4
237.05585	0.4
247.03995	1.0
248.04884	0.4
249.05707	0.3
261.95709	0.5
263.03625	0.5
265.05109	0.7
267.06528	0.4
277.04953	0.3
290.97668	0.3
293.04639	0.5
294.00015	0.6
295.06091	0.7
296.06543	0.4
304.99008	0.4
307.00635	0.5
308.98505	0.3
309.99496	0.3
318.96799	0.3
319.97815	0.5
320.98761	0.6
321.99463	0.4
323.00070	0.6
330.97189	0.3
332.98645	0.8
333.99292	0.4
335.00128	0.5
336.98038	0.5
338.99692	0.3
339.05270	1.0
340.05420	0.7
341.05933	0.6
346.96555	0.6
347.97107	0.6
348.98123	1.4
349.98920	1.1
350.99841	0.4
352.00848	0.3
360.98257	0.7
362.99869	0.4
366.99326	0.3
376.97729	0.8
378.99252	0.9
392.97269	0.8
394.03305	0.7
394.98538	0.5
404.97156	0.4
410.02554	0.6
422.02557	0.7
422.98264	0.3
423.03311	0.3
438.02057	0.6
439.03094	0.4
440.03885	0.5
448.24573	0.3
450.02094	1.2
451.02744	1.5
456.03149	0.8
466.01440	1.4
467.02289	1.7
468.03033	0.4
469.03912	0.4
470.00616	0.3
471.01514	0.3
482.00461	0.5
483.01956	0.7
484.02563	0.5
494.01010	0.6
495.01840	2.0
499.01437	0.4
508.99878	0.4
511.01456	0.5
513.02979	1.0
527.00793	0.5
529.02484	1.4
539.00952	0.6
557.01892	1.9
601.00830	5.4
602.00696	0.4
619.01880	1.1
643.03918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32466	0.4
54.98746	0.5
59.01371	1.4
60.32787	0.5
68.18360	0.5
69.46707	0.6
70.13980	0.4
71.01366	0.6
72.99312	2.4
76.20656	0.4
78.06567	0.5
86.42693	0.6
87.00860	2.4
93.03438	0.6
96.96024	5.4
98.95595	1.2
108.02176	0.8
109.02965	42.8
110.03327	0.8
112.98798	1.5
117.03491	2.7
121.02967	6.6
123.04542	0.8
133.02945	3.5
134.03784	4.7
135.04527	4.2
137.02510	0.9
145.02983	11.2
149.00922	3.9
149.06085	0.5
158.03789	2.9
159.04558	2.2
161.02452	9.6
162.02783	1.2
165.01944	3.3
173.02470	0.6
174.03265	0.9
175.04051	1.1
178.02771	1.2
179.03531	2.6
185.02325	0.8
185.88998	0.6
193.05067	3.7
193.06642	1.8
196.05341	2.0
197.04524	1.9
197.06100	2.9
199.07712	1.2
202.02696	1.2
203.14574	0.6
209.06087	1.3
210.06790	0.8
211.07671	2.6
220.05403	0.9
221.06119	3.7
222.06766	1.0
222.94995	0.6
223.07553	1.6
224.04845	1.8
229.54228	0.6
232.05426	0.7
237.05576	1.3
238.06419	1.9
239.07149	4.6
248.04837	1.4
249.05605	9.6
250.06372	7.3
254.05496	0.8
265.04932	2.6
266.05789	5.1
267.06650	100.0
268.06885	3.6
283.06085	2.4
293.04669	1.0
295.06210	1.4
296.06613	0.8
311.05627	17.7
312.05893	0.6
321.03940	0.7
325.07080	2.6
359.07697	0.9
505.11487	17.3
506.11658	0.8
516.00977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.9
59.01388	83.5
60.61102	1.5
61.98835	17.4
71.01389	15.0
71.41156	2.0
72.99317	3.7
85.02957	5.4
87.00869	3.4
88.98841	1.9
89.02451	16.6
96.96015	14.7
101.02458	14.9
107.05003	2.3
109.02962	1.9
113.02451	9.6
116.92875	4.3
119.03534	7.3
119.04987	2.6
121.61816	1.5
123.04482	1.7
133.02997	8.7
134.03828	3.3
135.04546	25.7
149.00937	2.0
149.02393	1.9
149.06047	1.4
151.03949	2.0
161.02461	22.1
162.02731	2.1
163.03947	2.5
163.11305	7.5
175.04051	2.4
178.02710	2.4
179.03531	7.4
190.92853	1.5
192.04210	3.9
193.05040	4.5
197.04556	3.5
207.10298	17.5
209.11858	2.1
229.12439	1.5
235.06129	3.0
259.24228	1.6
265.07245	2.5
292.94791	1.4
309.07611	4.9
323.07764	3.0
369.15585	1.8
387.16638	100.0
388.16772	2.5
457.25977	3.0
461.12329	3.2
485.10498	1.8
577.26141	3.7
637.28680	85.7
638.28961	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	637.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03465	5.2
59.01386	25.8
59.58094	0.6
69.03465	0.6
71.01023	1.0
71.01392	15.3
72.99261	0.6
73.02956	6.2
75.24328	0.6
79.05578	0.7
79.76731	0.6
83.01390	2.5
83.05034	3.2
85.02956	9.2
87.00888	5.2
89.02445	2.0
95.01387	1.7
95.05064	0.8
96.96020	2.0
97.06613	3.7
99.00883	2.0
101.02459	11.3
105.07088	0.7
107.05037	8.8
109.02975	0.8
113.02466	6.7
116.92866	1.9
120.05840	5.7
133.02969	4.2
135.04553	8.6
135.11729	0.8
141.05606	1.0
145.10292	0.6
146.07353	0.9
159.02988	1.3
159.08229	1.3
161.02473	12.2
161.04536	4.3
161.09743	15.2
161.13380	8.0
162.02769	0.7
162.10052	0.8
163.11272	3.0
179.03514	4.2
179.10796	2.0
187.11298	19.7
188.11674	0.7
189.09225	13.4
189.12889	1.1
189.38901	0.6
197.81718	0.5
203.10806	1.8
205.05453	0.6
205.12337	11.3
207.10323	5.0
231.10507	0.6
235.13374	0.9
249.11340	11.5
267.12402	3.2
280.22742	0.6
284.18176	0.6
298.04947	0.5
313.07101	1.4
323.07748	2.0
360.90738	0.6
387.20267	7.1
425.13892	0.7
493.24271	1.8
503.11871	1.5
535.31104	0.8
619.31494	1.5
637.32343	100.0
638.32758	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	639.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03447	0.6
59.01374	4.1
61.98842	0.7
64.03205	0.5
68.99816	0.9
69.26595	1.8
69.27000	1.1
71.01382	9.7
73.02951	2.6
82.95421	4.2
83.01403	2.0
85.02948	4.4
89.02445	0.9
92.02695	2.5
93.03465	39.8
95.01389	1.2
96.96041	3.0
96.99310	0.9
97.02953	0.6
99.00877	0.8
99.04532	0.6
101.02451	8.8
101.84782	0.6
108.02195	1.5
109.02980	3.4
113.02458	4.0
119.05118	0.6
121.02946	2.6
122.03761	1.8
123.04546	0.8
124.65067	0.6
125.02443	0.7
133.03024	1.2
134.03755	1.2
135.04567	2.6
136.01672	28.4
137.02458	71.5
138.02812	1.4
145.03006	0.8
146.03737	1.0
147.04514	2.2
151.04019	28.9
158.03790	0.5
159.04581	0.9
160.05275	1.5
161.02487	4.6
161.06094	2.4
162.03236	0.7
163.03986	1.1
163.07648	0.6
172.05327	0.8
173.06111	1.5
175.04010	3.9
176.04773	6.5
177.05553	1.9
179.03519	1.5
187.03915	1.0
188.04739	0.9
189.05571	1.4
190.06337	1.7
191.03539	1.1
191.07155	7.8
197.04631	1.1
203.07147	1.5
210.07317	0.5
221.04614	0.6
251.07204	1.0
267.06680	1.0
279.06598	3.3
280.07437	0.6
281.06677	100.0
282.06845	2.7
294.08890	2.6
297.11246	1.2
309.11115	0.6
312.10001	3.8
313.10831	5.8
324.09821	0.7
325.10889	0.8
327.12360	10.3
339.12543	0.8
342.11069	1.3
343.11865	21.2
344.12238	0.9
357.13342	5.0
359.07809	1.0
422.23383	0.6
459.27554	1.5
487.16113	1.1
609.19812	3.0
621.19611	1.5
639.20856	44.2
640.20947	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	639.2464
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
61.98837	2.6
63.24274	1.6
63.95882	1.6
69.18036	10.9
94.06612	6.3
98.21889	4.2
98.58998	1.6
107.03787	21.5
121.05284	1.6
122.06135	75.4
134.06163	10.3
135.04541	4.7
139.02713	2.0
152.07188	84.9
153.07602	1.9
154.24326	1.7
161.02489	5.4
179.03484	2.9
201.32230	1.7
246.09120	1.7
276.54819	1.9
297.96780	2.0
317.47833	1.7
326.57492	1.7
353.30148	2.1
354.12442	7.1
355.13449	2.3
359.07901	2.1
367.09595	5.3
368.10205	3.8
368.14163	4.4
370.15582	12.0
380.10443	5.2
382.11887	12.1
383.12790	14.1
394.11862	2.2
395.12537	2.6
396.13373	2.1
398.15146	37.5
399.15399	3.5
410.15308	14.0
430.17807	5.1
519.23779	3.4
535.23407	7.3
563.23053	100.0
564.23010	8.4
595.25854	28.0
607.22003	49.8
608.22278	4.2
639.24469	26.4
640.24933	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	639.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.2
59.01386	27.8
62.27097	1.8
65.04001	1.9
71.01388	19.7
72.99305	2.8
73.02958	4.7
83.01398	2.6
83.05038	4.4
85.02982	5.4
87.00895	4.6
89.02434	8.9
94.09109	1.9
97.06623	4.1
99.04527	3.6
101.02429	10.1
111.08191	4.3
113.02460	5.1
122.06092	4.7
123.08125	2.0
125.02438	2.0
125.09693	12.4
133.02969	6.2
135.04544	10.7
145.05084	3.1
150.05614	6.4
161.02466	22.0
161.04578	3.6
162.02824	2.2
171.10286	47.0
179.03491	5.3
188.51717	1.9
205.15962	4.2
209.11855	14.1
211.13412	13.0
215.14417	8.3
231.13988	3.7
233.15492	29.5
235.08255	9.1
249.15010	21.3
253.09328	4.4
285.12396	3.7
292.85858	1.9
331.26425	2.9
341.24622	2.9
359.25949	2.6
375.25372	4.3
385.23834	25.9
393.26508	1.9
395.78391	2.4
403.24893	33.5
421.25909	10.9
485.24280	3.4
563.23120	10.3
607.22308	9.5
608.23199	2.2
611.34888	2.5
621.32825	100.0
622.33020	6.5
639.23834	3.7
639.33911	39.0
640.24500	2.1
640.34503	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	641.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29266	1.4
57.90698	1.6
60.99308	6.9
69.09017	10.9
72.99323	10.2
88.98819	23.6
93.03475	1.8
96.96015	3.8
98.21819	2.9
108.02183	1.6
109.02963	42.3
123.04549	5.0
133.02957	2.1
134.03796	2.1
135.04535	18.3
135.86131	1.6
136.04810	1.5
137.02449	5.4
149.02519	1.6
159.04521	2.3
161.02452	4.2
172.01593	1.9
179.03593	7.4
185.02460	14.6
197.04601	11.7
200.01164	3.8
201.02003	2.6
217.05113	2.8
219.04295	1.7
221.06079	5.6
225.05481	2.2
229.01509	1.6
231.02992	13.4
237.05585	3.0
247.04140	2.6
248.04779	6.2
249.05511	14.3
251.03491	4.2
263.03424	1.6
265.05093	5.1
269.08145	2.7
275.03555	1.6
276.04309	6.0
277.05057	11.7
279.03015	6.9
280.03729	2.8
281.06662	2.5
292.03830	2.5
293.04550	30.2
294.05255	6.0
294.72708	1.7
295.06128	17.9
296.06320	3.1
315.12625	1.6
321.04047	100.0
322.04355	5.3
339.05115	16.7
340.05423	3.5
353.06693	68.4
354.07159	3.3
371.07645	4.3
519.09381	14.2
551.11951	15.7
605.04352	2.6
641.22552	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	641.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.4
69.33761	2.9
71.01386	1.1
72.99318	22.6
93.03468	3.3
101.02480	0.9
107.05041	1.7
108.02213	0.6
109.02929	0.9
117.03458	0.6
121.02967	0.8
123.04543	7.2
133.02972	9.7
134.03786	4.7
135.04541	100.0
136.04890	2.1
137.02475	6.4
145.03008	1.4
151.04008	1.1
161.02463	39.4
165.05656	0.6
169.13049	0.6
179.03514	67.7
180.03859	2.4
197.04572	29.5
281.06674	7.3
341.08951	1.0
359.07956	12.7
360.07925	0.7
461.10941	31.9
462.11511	2.5
479.11984	56.0
480.12167	4.4
485.57153	0.6
521.12769	0.7
617.32709	0.6
641.15143	9.0
642.15967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55885	0.3
56.29438	0.3
59.01389	1.6
70.09356	0.8
71.01384	1.8
72.99316	47.3
73.02966	0.7
83.01397	0.5
85.02948	0.8
93.03465	5.9
101.02441	1.7
107.05037	1.1
108.02186	0.5
109.02977	1.6
113.02473	0.9
121.03030	0.5
123.04542	14.6
132.02190	0.8
133.02972	6.0
134.03790	2.1
135.04541	39.9
136.01743	0.5
136.04836	1.7
137.02460	14.0
137.21359	0.3
147.04428	0.5
149.02415	0.3
151.04048	1.9
161.01108	0.5
161.02463	12.4
179.03513	40.5
180.03758	0.8
190.48015	0.4
197.04572	46.4
198.04939	1.4
218.02872	0.9
250.32945	0.4
253.71339	0.4
263.82162	0.3
268.66125	0.4
281.06705	14.0
282.07138	0.5
321.09616	0.4
341.08707	0.5
359.07990	1.2
443.09973	0.5
461.11093	0.7
479.11984	100.0
480.12289	5.4
641.15155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.9
61.12270	1.6
72.99325	10.9
78.26400	1.9
80.43574	1.7
93.03461	4.4
96.96011	7.6
109.02971	9.3
110.33224	1.8
117.64345	1.7
121.02947	7.3
122.03733	11.6
123.04535	4.6
133.02951	2.9
134.03766	3.4
135.04529	20.5
141.43001	2.0
149.02452	17.0
150.03241	79.4
151.03999	1.9
159.04517	3.4
161.02438	9.6
164.04771	3.3
165.05589	100.0
179.03537	9.8
180.04222	6.3
185.02426	7.1
186.02985	3.1
195.06647	80.4
197.02928	2.9
197.04474	11.6
251.03629	2.6
269.08051	2.4
279.03162	3.6
281.08215	11.2
290.37494	1.9
293.04565	4.8
295.06122	7.4
321.04102	11.6
322.04465	3.7
339.05069	8.6
340.05679	2.6
341.10382	6.1
345.06137	9.5
353.10251	10.5
356.12869	10.6
368.12701	5.8
371.15021	33.3
383.15079	23.7
435.22131	2.5
519.08972	2.6
519.20337	2.7
549.21295	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	641.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.9
61.12270	1.6
72.99325	10.9
78.26400	1.9
80.43574	1.7
93.03461	4.4
96.96011	7.6
109.02971	9.3
110.33224	1.8
117.64345	1.7
121.02947	7.3
122.03733	11.6
123.04535	4.6
133.02951	2.9
134.03766	3.4
135.04529	20.5
141.43001	2.0
149.02452	17.0
150.03241	79.4
151.03999	1.9
159.04517	3.4
161.02438	9.6
164.04771	3.3
165.05589	100.0
179.03537	9.8
180.04222	6.3
185.02426	7.1
186.02985	3.1
195.06647	80.4
197.02928	2.9
197.04474	11.6
251.03629	2.6
269.08051	2.4
279.03162	3.6
281.08215	11.2
290.37494	1.9
293.04565	4.8
295.06122	7.4
321.04102	11.6
322.04465	3.7
339.05069	8.6
340.05679	2.6
341.10382	6.1
345.06137	9.5
353.10251	10.5
356.12869	10.6
368.12701	5.8
371.15021	33.3
383.15079	23.7
435.22131	2.5
519.08972	2.6
519.20337	2.7
549.21295	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	641.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	18.7
68.71600	5.0
71.01381	6.5
80.05071	17.2
92.28953	4.7
101.81644	5.2
104.05077	4.6
106.06629	9.8
107.28084	4.7
108.04565	68.0
110.62088	4.7
112.83117	4.9
116.92859	5.5
118.52666	4.2
120.08254	5.5
122.06134	23.0
132.04562	5.7
134.06158	16.4
135.04565	11.8
136.07684	7.6
152.07262	6.1
160.06464	6.1
161.02460	12.1
168.65411	4.9
174.05632	15.7
179.03534	9.8
183.13963	7.5
186.05769	4.9
190.05194	6.5
201.10374	15.6
211.13396	100.0
213.10378	35.6
227.11949	5.1
239.11874	28.4
241.13544	19.7
251.08235	20.8
251.11949	6.4
253.09807	6.2
267.11249	6.1
269.09338	5.4
274.37317	4.7
278.06729	6.8
279.07745	14.2
285.12473	84.0
293.13004	13.0
295.11075	5.7
304.82913	4.9
305.05740	7.0
311.10300	8.8
321.08508	5.3
323.06781	7.5
337.08362	20.2
358.15656	19.8
370.12051	9.4
384.13690	13.2
385.14063	6.4
400.16779	28.9
412.17062	5.2
479.20959	15.7
521.21924	88.8
522.22180	10.7
547.20111	15.2
565.20532	98.1
566.21027	7.5
567.21869	6.7
569.03235	5.0
597.23242	12.2
609.21460	30.8
623.24353	6.6
623.33917	6.5
641.25043	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	641.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01116	1.6
59.01386	11.5
64.47802	0.7
72.99339	0.9
80.05061	11.7
84.79875	0.8
92.05098	1.5
94.06640	4.6
94.61526	0.8
104.05057	4.6
105.73462	0.7
106.06596	4.0
107.03778	9.2
116.92893	2.1
120.04617	2.2
120.08281	2.8
121.05401	2.9
122.06133	54.3
123.06570	0.8
124.07741	1.3
130.06715	2.0
132.04567	3.6
133.03043	1.7
134.06139	17.2
135.04610	2.7
136.07730	1.0
144.09938	1.0
148.04077	5.0
150.05658	1.5
152.07188	73.4
153.07512	1.6
158.58031	0.8
160.04121	3.0
160.06427	7.0
161.02473	1.7
161.04919	2.4
162.05695	1.1
164.07224	1.3
173.04857	1.1
174.05609	7.3
180.06743	0.8
186.05702	1.0
190.05254	2.4
197.07269	1.2
204.62572	0.9
211.08932	1.7
211.13495	5.4
213.10352	32.1
214.10614	0.8
223.08839	3.4
223.12465	0.9
224.09468	1.7
225.10374	3.9
226.11238	3.2
235.08673	0.7
236.09642	1.7
237.10471	3.0
239.11929	28.0
241.13457	15.9
245.12967	11.1
249.06715	1.6
249.10405	1.3
251.08235	1.2
251.11984	3.2
263.08212	1.3
265.10037	2.6
267.11450	1.6
267.65765	0.8
277.09955	1.2
278.10648	1.4
279.07959	1.0
279.11368	1.3
285.12473	70.2
286.12866	3.2
287.57892	0.7
292.08667	0.8
293.09695	1.5
293.12949	8.8
295.10898	7.1
297.12796	1.3
313.11905	9.2
314.09589	1.2
315.14899	1.1
316.14630	2.5
323.10364	12.5
324.11365	0.9
325.12012	5.2
326.13055	1.6
327.10300	1.6
328.11038	7.9
328.14590	1.3
329.11578	1.4
330.12570	1.6
332.17792	2.7
340.10800	1.3
340.14471	1.9
342.12546	5.5
342.16190	1.1
343.13260	8.1
344.14163	7.7
355.13144	7.4
356.13980	3.2
356.17795	3.1
357.14917	7.1
358.15637	35.1
359.16193	3.3
368.10638	1.7
369.14911	1.0
370.11945	4.4
370.15878	1.5
372.17215	1.7
382.15909	1.3
384.13406	7.3
385.14276	3.6
397.14142	1.8
398.15253	1.9
399.16000	2.0
400.16690	23.2
400.21652	1.7
401.17279	1.2
412.16733	6.6
456.15570	1.0
476.18350	1.1
497.25879	4.6
498.26550	0.8
505.22205	0.9
509.21976	4.5
519.24316	1.0
521.25757	3.5
523.23535	24.7
524.24011	3.9
537.25098	2.1
541.24628	1.7
565.24622	99.9
566.25037	7.2
567.22656	2.5
568.23413	11.6
569.24207	1.4
581.24408	1.6
591.22693	1.2
597.27209	3.3
609.23596	100.0
610.23859	9.4
641.26263	37.6
642.26160	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	641.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.1
69.76050	1.5
73.02966	0.9
74.15640	0.8
80.05078	9.7
82.95407	1.0
88.10340	0.8
89.33820	1.1
92.05149	1.0
94.06628	7.8
98.22540	1.1
104.05073	3.2
106.06629	5.0
107.03802	6.5
108.60986	0.8
120.04562	2.1
120.08208	3.7
121.05362	3.5
122.06142	47.2
124.07643	1.2
130.06622	0.9
131.03906	0.9
132.04567	4.3
133.02933	1.2
134.06140	25.7
135.04544	3.5
136.07716	2.6
148.04073	3.1
150.05649	1.7
152.07195	47.8
160.04034	2.6
160.06450	7.1
161.02478	4.4
161.04771	2.0
164.07120	1.2
165.09261	1.3
174.05656	4.9
190.05197	4.4
197.07254	1.0
198.12822	1.6
211.08800	1.1
211.13422	6.2
213.10358	33.2
219.96263	1.0
222.07938	1.6
223.08806	2.3
224.09531	1.5
225.10396	2.4
226.11162	3.6
227.11794	1.0
237.10333	2.9
239.11925	20.4
241.13486	26.2
245.12973	7.4
249.06625	1.4
250.07503	1.0
251.08452	1.0
251.11897	4.9
253.06180	1.3
255.11421	1.0
264.09036	1.4
265.09839	3.3
267.11371	1.4
269.12952	5.7
277.09918	1.2
278.10626	1.6
279.11237	1.1
283.10825	8.4
285.12488	66.7
286.12866	2.4
292.08929	1.0
293.09631	1.8
293.12930	11.3
294.13287	1.0
295.10886	7.9
313.11948	4.9
314.12857	1.0
315.10062	1.0
316.14673	1.4
323.10342	12.9
325.11850	4.7
326.12851	1.2
327.09888	1.3
328.10822	3.5
328.14377	1.3
330.12415	1.8
330.16238	1.4
332.17697	1.6
339.09775	1.2
340.14658	2.0
342.12421	3.6
343.13406	4.4
344.14032	2.5
355.13113	7.0
356.13913	2.0
356.17883	2.2
357.14832	4.4
358.15634	24.1
359.16162	1.5
369.14807	1.4
370.11752	2.6
370.15732	1.2
382.11520	1.1
384.13455	6.4
385.14355	1.7
397.14471	1.0
398.15128	2.6
399.15814	1.7
400.16736	20.2
406.37866	1.0
412.16833	6.8
497.25516	2.1
509.21942	1.1
523.23615	13.0
524.24170	1.9
535.23749	3.9
537.25513	1.4
541.24341	1.6
545.21228	1.0
547.23560	6.6
548.24481	1.3
565.24640	86.2
566.25085	5.0
568.23132	3.0
579.22864	1.7
591.22449	5.3
597.26636	1.1
606.60803	1.0
609.23590	100.0
610.24078	6.9
623.24994	1.7
641.26263	21.2
641.37201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.98806	0.5
71.01387	1.1
73.02954	0.5
85.02946	0.3
89.02435	1.1
101.02450	1.5
113.02467	0.8
126.84392	0.2
135.04581	0.3
161.02451	0.5
161.04570	0.6
167.14392	0.5
183.13916	6.3
193.12378	1.0
211.13409	100.0
212.13759	3.0
228.21671	0.3
235.08264	1.3
243.30707	0.3
253.09308	4.3
302.93381	0.3
314.15472	0.5
329.17715	1.1
387.25427	0.5
429.20947	0.3
447.22348	4.9
529.99426	0.3
623.33960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.5
61.98827	0.8
71.01381	1.3
73.02917	0.4
89.02450	1.3
101.02451	1.0
109.34959	0.4
113.02470	0.6
161.02461	0.7
161.04486	0.8
167.14352	0.5
178.17010	0.4
183.13910	7.6
193.12369	1.7
201.16635	0.4
211.13417	100.0
212.13759	3.6
235.08237	1.4
253.09285	3.5
255.17059	0.4
284.79263	0.4
331.15286	0.9
387.25516	0.6
405.26126	0.6
429.21249	0.5
447.22433	4.8
530.87805	0.4
623.34644	0.9
629.92017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87749	2.7
53.40555	2.7
59.01384	3.4
60.99315	25.0
71.41364	2.4
72.99321	8.6
88.98816	100.0
96.96025	7.2
102.64256	3.1
109.03015	3.9
133.02968	7.8
134.03763	6.7
135.04549	43.5
151.04041	3.6
161.02483	46.2
177.01907	3.4
179.03510	18.4
197.04588	8.4
199.41052	3.6
296.56049	2.9
301.65186	3.0
313.07214	6.6
321.03873	5.2
357.06235	8.2
359.07764	33.8
402.09015	5.8
416.11240	3.0
553.13544	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38016	1.7
62.27478	1.8
66.94144	1.7
69.61369	6.1
69.66318	1.8
79.51528	1.8
83.36749	1.7
94.06621	5.2
106.06633	2.3
107.03796	8.1
110.60509	1.9
119.48215	1.6
120.08210	21.5
122.06138	76.9
128.77069	1.8
132.04588	2.6
134.06128	7.1
136.07698	3.4
148.04066	1.7
150.06847	1.8
152.07185	86.6
190.05089	3.0
211.12572	2.1
223.08780	5.5
225.10292	2.1
235.12265	2.7
236.09659	3.3
237.10323	14.6
238.11087	3.6
239.11928	11.1
242.79749	2.1
245.12914	6.9
246.98363	1.8
249.10454	2.7
251.08171	2.6
251.11853	6.3
262.07568	2.2
263.08282	5.0
263.11893	2.0
264.09106	11.2
265.09845	8.2
277.09662	3.5
278.10687	5.4
279.11404	38.4
280.11896	5.7
291.08405	1.6
291.11404	11.6
292.12244	3.9
295.10922	4.6
306.25833	2.1
313.69324	1.8
323.10336	7.8
355.13046	2.4
402.18347	12.9
413.43869	2.4
444.19293	16.6
445.19830	3.9
448.18979	4.8
482.28824	2.2
488.18231	26.4
489.19046	20.0
520.20947	53.1
521.21320	7.1
525.25378	2.8
558.13232	1.9
567.26117	38.7
568.26544	2.8
611.25128	100.0
612.25513	9.9
643.27679	24.7
644.27686	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	643.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82850	1.2
58.81123	1.3
59.01376	3.0
80.05079	2.5
94.06631	3.4
96.96013	1.6
107.03798	7.9
120.08207	18.4
122.06140	64.5
132.04585	3.0
133.03035	1.4
134.06180	6.4
135.04533	5.0
136.07718	2.8
143.37953	1.2
152.07196	68.8
159.18929	1.4
161.02464	5.7
174.05559	1.8
177.79956	1.4
179.03462	1.7
190.05078	2.8
211.12462	2.1
223.08791	5.5
224.09583	2.2
225.10384	2.1
237.10362	9.8
238.11031	2.8
239.11922	9.0
241.13647	2.0
245.12961	6.3
249.06683	1.7
251.08315	4.1
251.11861	4.4
259.06479	1.5
263.08261	3.3
264.09085	7.6
265.09705	7.1
277.09760	2.4
278.10809	3.5
279.11386	25.2
280.11987	3.8
281.12814	2.0
291.11417	5.8
292.12109	2.2
293.12781	2.5
295.10880	4.7
297.12527	1.5
313.11954	2.4
323.10385	7.8
324.11050	4.3
325.11749	2.6
355.12918	1.8
402.18414	9.9
403.18933	1.6
444.19379	10.2
447.17941	1.7
448.18588	5.7
449.18393	1.4
461.19614	4.5
488.18387	15.8
489.18933	17.3
520.21027	18.8
521.21753	3.1
525.24493	2.0
567.26117	29.3
568.27246	1.6
583.26074	1.6
611.25189	100.0
612.25574	9.5
643.27789	30.7
644.27893	2.3
650.25488	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	2.6
63.02340	0.6
65.57895	0.5
68.99866	0.5
69.12498	0.6
72.99310	7.0
81.03455	0.9
89.03928	0.6
89.74130	0.6
93.03430	0.7
95.05020	1.0
105.03467	2.7
109.02971	2.8
116.92872	2.3
121.03004	1.1
122.03760	1.4
123.00877	1.9
123.04529	10.8
124.01691	1.2
126.90462	0.8
132.02176	1.7
133.02963	31.4
134.03764	1.5
135.04530	7.0
137.02480	1.1
149.02437	1.5
150.03195	1.4
151.04019	26.2
151.05235	1.3
161.02452	100.0
162.02829	2.2
167.03503	2.5
177.01933	2.3
178.02740	2.1
179.03491	7.1
195.02991	27.8
225.94490	0.6
229.29845	0.7
285.22308	6.9
421.92838	0.7
427.83951	0.8
434.83029	0.8
437.40723	0.7
463.24652	1.2
481.25952	24.3
482.26212	1.3
499.74268	0.7
533.04065	0.6
543.43518	0.6
557.98584	0.8
561.47351	0.7
643.29144	14.9
644.29919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83383	1.6
59.32887	1.4
59.61683	1.7
60.86686	1.6
62.93240	1.7
67.77789	1.8
72.99313	13.0
85.41527	1.7
88.98814	12.4
90.55548	1.6
93.03446	2.3
96.96021	4.9
109.02982	13.1
112.15496	1.8
121.02973	20.8
123.04534	6.2
133.02968	15.8
135.03510	2.9
135.04538	60.2
138.18185	1.7
147.04529	8.0
151.04063	5.7
158.03748	2.1
159.04512	6.4
161.02487	27.3
162.03111	3.1
173.02432	17.0
177.01938	3.7
179.03516	63.5
185.02394	2.3
186.03128	2.4
197.04565	10.1
221.04570	4.8
224.94148	5.5
230.37714	1.7
239.07216	3.6
249.05725	2.6
251.07173	2.5
267.06668	7.5
268.93143	5.9
269.08218	11.0
277.05154	3.4
295.06146	100.0
296.06528	7.0
313.07144	13.3
339.05112	2.5
357.06348	12.1
359.07736	6.3
395.00800	2.0
460.33072	1.7
493.11411	25.0
537.10455	34.4
591.02325	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	645.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61204	0.7
56.23910	0.8
59.33619	0.7
60.62944	0.7
69.03467	0.8
71.40395	0.8
80.53073	0.8
88.35866	0.8
95.01423	1.3
96.96021	0.9
97.02989	1.8
109.02932	0.8
121.02977	3.8
129.54257	0.8
133.02985	1.6
135.00891	13.1
135.04556	1.0
137.02457	12.3
143.54579	0.7
161.02487	1.5
163.00378	21.0
164.01181	9.9
165.01942	30.7
166.02219	1.2
175.04015	0.9
177.01929	1.4
179.03392	1.4
190.99872	61.6
192.00623	15.3
193.01427	100.0
194.01723	2.5
207.02905	1.3
214.38745	0.9
217.01459	1.3
221.00801	1.0
228.01094	0.8
235.02437	1.8
239.09258	0.8
281.08002	0.9
355.06708	45.2
356.07101	1.4
378.05734	4.5
379.06677	2.7
397.07635	3.1
438.08054	6.3
439.08878	16.5
455.58997	0.8
541.12030	7.5
601.14093	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	645.3325
Annotation	CHEBI:84380
Peak:m/z	Relative Intensity
52.71956	1.7
61.98839	2.4
69.10422	11.8
115.92023	2.2
119.27080	1.9
138.24890	1.9
161.02298	2.0
167.43942	1.8
245.90767	1.8
281.48410	1.9
343.75037	1.9
469.33051	2.6
487.34473	4.1
547.30334	3.0
569.27515	2.0
585.31354	9.9
645.33344	100.0
646.33643	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	645.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.0
67.39555	1.3
115.37384	1.5
116.92862	2.6
165.18784	1.5
180.15176	1.4
430.77002	1.5
487.34396	23.1
488.35172	1.6
547.29828	1.7
554.16162	1.6
645.33258	100.0
646.33606	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	645.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87776	1.3
56.88123	1.3
59.01377	3.6
61.98840	2.0
66.66849	1.3
68.33659	1.3
71.42206	1.2
96.42638	1.3
116.92860	1.6
135.04550	2.3
161.02454	1.6
282.62131	1.4
300.44189	1.8
335.45203	1.6
349.40173	1.3
409.30884	2.1
487.34369	22.8
488.34637	3.2
645.33337	100.0
646.33673	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	647.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.8
59.01385	62.7
61.74601	1.3
67.17356	1.0
69.32053	1.1
71.01385	24.4
72.99306	5.1
73.02967	1.5
79.95739	1.6
83.01389	1.8
85.02946	5.2
89.02454	32.6
91.65607	1.2
95.01391	1.9
96.96011	8.6
98.21896	4.0
99.04529	1.4
101.02447	27.2
109.02977	7.0
113.02470	11.0
119.03526	18.8
123.04498	3.0
133.02966	2.2
135.04561	9.0
135.42372	1.3
143.03522	2.6
149.04561	1.7
150.03290	1.6
151.03989	2.4
161.02454	3.8
161.04570	4.1
179.03522	4.8
179.05602	4.6
185.02449	4.0
194.07210	1.4
197.04559	3.7
207.11798	2.2
222.06847	7.1
236.08424	5.8
247.07704	1.6
249.09315	5.8
250.09990	5.3
251.10808	55.6
262.10059	8.6
263.10791	54.9
264.11081	1.6
277.05057	1.9
279.02927	1.3
279.10272	2.3
280.11069	39.7
281.11850	100.0
282.12247	4.3
293.04617	2.3
295.06158	5.3
321.03925	6.7
322.04346	1.9
339.05139	4.6
425.15811	3.5
485.18253	4.1
587.22272	1.6
647.23523	76.1
648.24011	7.1
663.09589	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	647.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	95.6
57.65928	1.2
58.03767	1.4
59.01387	8.6
61.98822	1.5
69.42051	3.9
71.01389	1.5
72.99316	3.1
73.02953	2.0
77.40139	1.3
79.45152	1.1
81.03468	3.8
83.01397	1.7
96.96030	18.8
99.04530	59.2
99.05192	2.9
101.02454	47.7
109.02949	3.4
116.92909	2.1
121.02916	1.3
125.02454	13.6
133.02960	2.1
135.04532	10.6
136.04881	1.5
137.70583	1.5
143.03516	2.9
156.96336	1.3
161.02455	13.9
162.02892	1.7
179.03505	6.5
185.02307	1.3
197.04523	3.5
271.69379	1.2
326.92062	1.3
339.05347	1.3
371.68762	1.5
382.18283	1.3
416.68365	1.4
441.30322	2.1
453.29904	1.9
455.31882	2.2
471.31039	14.0
472.31525	1.9
483.31128	9.0
485.32785	26.8
486.33273	3.1
501.32343	4.3
503.33826	100.0
504.34195	9.9
545.34845	57.6
546.34961	6.1
585.38013	4.0
647.37994	38.8
648.38416	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	647.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39650	0.8
69.15865	5.5
77.48056	1.1
94.92551	1.0
96.96032	2.0
105.03478	2.2
106.25506	0.9
106.31985	0.9
132.02177	7.5
133.02972	19.1
134.03754	3.3
149.06017	1.7
154.91856	1.3
160.01675	36.9
161.02390	1.3
174.94611	1.0
175.04022	39.1
177.01923	4.1
193.01361	1.0
193.05064	1.7
196.66936	0.8
196.96225	0.9
246.11035	1.0
251.10703	1.1
262.66306	0.9
281.11719	2.3
453.33759	1.3
574.72186	1.3
632.37195	6.8
633.37646	1.2
637.81274	1.1
647.39606	100.0
648.40094	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	647.396
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
51.08339	0.3
64.61439	0.3
69.27892	0.9
69.28280	0.6
89.04052	0.3
94.76345	0.3
95.05055	0.8
105.03474	2.7
114.12148	0.3
119.05049	0.6
132.02188	7.0
133.02975	20.3
134.03763	3.6
136.01642	0.4
143.55843	0.3
147.04550	0.7
149.06105	2.6
160.01674	39.7
161.02242	1.0
166.83580	0.3
175.04018	48.1
176.04346	1.2
177.01926	5.0
192.04390	0.3
193.05107	1.7
193.90424	0.3
453.33582	1.4
497.33102	1.8
518.30322	0.4
531.31464	0.8
571.35199	0.3
588.38464	0.4
632.37152	6.7
633.37799	0.4
647.39575	100.0
648.39874	9.8
648.50671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.088
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20062	0.1
70.95724	0.1
72.99310	0.1
78.08545	0.1
79.95747	3.1
96.96022	100.0
97.95978	0.2
109.02940	0.3
122.96481	0.1
135.04541	0.2
160.55489	0.1
171.84555	0.1
179.03590	0.1
185.02431	0.1
197.04616	0.1
231.02895	0.1
293.04639	0.2
295.06076	0.1
321.04019	0.7
339.05255	0.1
353.06430	0.3
519.09692	0.1
551.12585	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	649.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98838	0.3
62.89389	0.1
69.13452	0.8
71.01392	0.2
72.99322	0.3
79.95750	3.5
86.81725	0.1
96.96026	100.0
97.95969	0.1
98.22614	0.3
99.92606	0.4
101.02459	0.2
109.02972	0.3
113.02461	0.2
116.92880	2.9
118.97130	0.1
123.04591	0.2
133.02971	0.7
134.03746	0.2
135.04550	1.8
136.04840	0.2
145.02979	0.2
151.03996	0.2
159.04529	0.2
160.01704	0.2
161.02484	1.7
162.03064	0.1
175.04059	0.3
177.01967	0.2
179.03551	0.7
188.98734	0.1
193.05109	0.7
196.99718	0.1
197.04639	0.3
221.04506	0.2
313.07266	0.2
321.04059	0.2
333.00766	0.2
351.01849	0.2
357.06506	0.2
359.07843	0.6
407.00983	0.1
443.22739	0.2
548.79950	0.1
551.11926	0.6
589.07080	0.4
649.28925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
57.09248	0.6
58.03796	1.2
59.01386	25.4
61.98845	0.8
63.15162	0.5
71.01398	1.1
72.99318	1.6
79.95750	0.7
80.91716	0.7
81.03472	5.0
83.01424	1.3
83.10969	0.5
84.95151	0.6
85.02986	0.8
96.96018	5.7
99.04530	36.9
101.02456	28.3
102.02817	0.7
108.53696	0.5
109.02986	1.5
113.02444	1.1
116.92914	0.6
117.45979	0.5
121.02985	2.2
122.03777	2.1
123.04572	1.0
125.02496	2.4
133.02959	1.4
135.04543	4.0
136.08540	0.6
143.03540	1.3
147.04564	1.4
161.02493	5.5
161.04561	2.8
161.06087	0.9
165.05637	2.0
179.03590	2.1
190.02580	0.7
197.04590	0.6
234.72679	0.6
270.08932	0.6
328.13251	2.1
343.15533	5.7
346.14236	0.8
361.16580	10.7
385.16608	1.6
403.17639	14.6
404.18185	0.7
443.20853	7.3
445.18768	12.1
475.26074	0.8
485.21866	19.2
486.22470	1.2
505.20816	12.5
506.20987	0.9
525.24890	4.8
545.30023	1.8
547.21912	4.6
563.31006	1.1
587.24530	0.9
649.25122	12.6
649.40149	1.0
650.25641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01385	42.9
62.56144	1.1
68.31039	1.0
69.08462	4.7
69.08871	2.9
71.01387	13.6
72.99329	6.6
73.02956	45.8
81.03488	1.4
83.01391	10.6
85.02953	5.6
89.02448	4.2
96.96029	9.7
97.02989	1.2
101.02453	30.1
109.02954	4.4
113.02454	5.8
123.04523	3.4
131.03497	1.6
132.88177	1.2
133.02942	2.5
134.03734	1.6
135.04555	8.3
143.03534	2.5
149.04579	2.0
161.02475	5.2
161.04564	6.6
179.03503	4.0
185.02408	2.2
196.09016	2.5
197.04572	7.2
203.05576	1.0
207.11685	2.0
209.13368	5.5
210.60237	1.1
222.06873	4.5
223.07642	6.6
224.08429	3.8
225.12827	3.7
235.11261	1.5
237.09209	4.3
249.05460	1.1
251.10803	49.3
252.11334	2.1
253.12375	45.4
254.12642	1.7
262.75616	1.2
263.10818	17.5
264.11346	2.0
265.12411	13.2
277.05176	1.3
279.03268	2.5
281.11865	100.0
282.12534	14.7
283.13434	77.2
284.13715	2.6
293.04471	1.6
295.06018	3.1
301.21597	1.2
321.04147	9.1
322.04230	1.7
339.05127	4.4
427.17670	4.1
445.18680	2.4
495.09680	1.3
503.15646	2.0
639.98120	1.3
649.25061	83.4
650.25562	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	649.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98615	0.9
54.22440	0.9
55.01878	1.1
58.00568	1.5
59.01387	75.9
59.09722	1.1
59.45291	0.9
70.93710	1.7
71.01389	31.3
72.99313	7.3
73.02949	2.0
83.01385	2.8
85.02964	9.0
89.02455	38.8
94.98103	1.3
95.01395	2.0
96.96024	13.6
97.02982	1.0
98.13670	0.9
101.02464	25.2
109.02959	5.6
113.02465	12.3
119.03512	22.3
123.04523	2.2
131.03546	2.6
133.02940	1.5
134.03697	1.1
135.03549	1.5
135.04530	9.7
139.48035	0.9
143.03496	2.9
149.04567	1.7
161.02438	3.5
161.04562	3.0
179.03470	4.5
179.05618	3.5
185.02396	3.0
196.08990	2.3
197.04575	7.3
198.04858	1.1
207.11841	2.4
209.13354	6.8
213.04333	1.3
218.21120	1.1
222.06822	4.8
223.07603	5.5
224.08388	4.9
225.12863	4.0
236.08424	2.5
237.09299	5.4
249.05602	2.0
251.10803	43.8
252.11363	2.9
253.12352	58.7
254.12683	2.9
263.10754	15.5
264.11572	3.3
265.05026	1.9
265.12384	24.5
277.04987	1.3
277.86133	1.0
279.03226	2.1
279.10406	1.2
281.11862	92.6
282.12595	28.7
283.13412	100.0
284.13675	3.9
293.04764	1.1
295.06073	2.2
321.04041	14.2
322.04471	1.6
337.14365	1.4
339.05066	4.1
427.17944	2.0
469.18741	1.9
487.19849	8.8
589.22736	3.2
649.25067	90.1
650.25372	6.7
650.34686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3961
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
59.01381	10.8
69.93591	1.4
70.51235	1.2
71.01399	7.7
71.41133	1.6
73.02956	4.4
83.01397	2.4
85.02953	5.1
89.02470	1.3
101.02451	6.8
113.02448	3.3
116.92836	2.6
122.06081	1.9
135.04544	3.8
152.07178	3.8
161.02440	5.7
169.56943	1.3
179.03520	1.5
415.65384	1.3
435.18109	1.5
573.24329	1.9
595.23529	2.5
605.37439	1.9
617.23499	1.9
617.73352	1.7
649.39642	100.0
650.40088	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	651.105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12943	0.1
59.01390	0.8
59.04781	0.2
62.02296	0.1
62.49488	0.1
67.60480	0.2
69.06087	1.0
71.01391	0.3
72.99313	0.3
78.57107	0.1
78.95901	0.3
79.05148	0.1
79.95746	3.8
82.95423	0.3
83.20946	0.1
88.98824	0.2
89.02455	0.4
96.96023	100.0
98.95657	0.2
101.02463	0.4
109.02947	0.3
119.03540	0.2
122.64320	0.2
132.30591	0.2
133.02997	0.4
135.04526	1.1
145.90523	0.1
158.22661	0.1
161.02463	1.0
177.18590	0.2
179.03537	0.5
185.02547	0.2
197.04610	0.4
233.53644	0.2
241.65590	0.2
245.40184	0.1
251.10904	0.2
253.12343	0.3
254.12692	0.3
265.12381	0.2
266.12717	0.2
281.11877	0.4
282.12317	0.6
283.13260	0.6
284.13751	0.6
285.14377	0.2
303.90656	0.2
321.04074	0.5
339.05121	0.3
359.07895	0.3
397.02332	0.2
438.07489	0.2
502.06128	0.2
608.56299	0.2
650.24591	0.3
651.07709	0.3
651.26007	0.5
658.84662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97390	0.2
55.24929	0.2
59.49162	0.2
65.31506	0.3
70.63427	0.2
70.63774	0.4
72.99317	0.7
78.95918	0.4
79.95740	3.0
85.39600	0.2
96.96021	100.0
97.95915	0.2
109.02946	0.5
123.04539	0.6
133.02962	1.0
135.04555	1.6
151.04112	0.3
161.02449	1.9
177.01910	0.4
177.14716	0.2
179.03517	0.9
197.04602	0.9
253.04445	0.3
293.04639	0.7
295.06247	0.3
321.04016	0.9
322.04349	0.2
353.03677	0.6
359.07748	1.0
397.02472	1.0
471.07245	0.8
651.12360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23970	0.5
57.32912	0.5
59.01400	0.5
65.04978	0.4
71.40803	0.5
72.99310	1.9
79.95741	2.5
87.61293	0.5
87.98991	0.5
96.96021	100.0
109.02996	1.2
114.30383	0.4
116.05952	0.4
123.04562	0.9
131.17143	0.5
135.04547	1.9
159.23396	0.5
161.02489	1.9
179.03569	1.6
185.02478	1.2
197.04604	1.4
219.76590	0.5
249.05640	0.8
265.91486	0.5
293.04672	0.7
321.04047	2.8
359.07968	0.8
553.43939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73161	0.6
59.01372	2.1
60.63663	0.5
71.01378	1.0
72.99316	12.6
81.41158	0.6
94.98109	1.8
96.96016	2.8
101.02438	0.8
107.05032	1.9
108.02235	0.6
109.02973	1.4
116.92864	0.8
117.03477	0.6
119.05034	1.0
123.04533	5.0
132.02216	1.4
133.02971	17.6
134.03766	5.7
135.04541	68.2
136.04868	1.4
139.95154	0.5
145.02951	0.7
149.02425	1.4
149.51601	0.5
151.03998	1.3
159.04582	0.6
161.02460	100.0
162.02780	2.6
163.04045	1.3
175.04025	0.6
178.02750	0.8
179.03510	36.4
180.03850	0.7
197.04576	16.0
223.02473	0.6
228.97887	0.7
269.08173	0.7
291.08624	0.8
313.07166	0.5
321.04117	0.7
359.07748	39.1
360.07996	2.1
453.12170	0.9
471.13068	1.8
489.13898	1.6
568.61853	0.7
650.39941	0.9
651.17297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
59.01379	1.2
64.31869	0.2
69.12868	0.9
72.99332	0.4
84.93884	1.3
87.21656	0.2
96.96033	0.8
98.95612	0.4
99.04509	0.5
99.92600	12.6
100.93378	15.0
101.93439	0.3
103.00383	2.0
114.93442	0.3
115.92094	23.4
116.92877	100.0
117.92902	2.8
117.93684	0.5
124.50492	0.2
128.92899	0.2
132.92371	0.3
135.04564	0.3
140.92889	0.5
141.93661	0.8
142.94440	2.9
156.92372	0.9
157.06827	0.2
158.93961	0.3
161.02492	0.5
168.82259	0.2
173.92635	0.6
174.93384	0.5
184.91846	3.2
185.92647	0.6
186.93469	1.3
261.38010	0.2
347.06079	1.0
348.05969	0.2
365.07056	1.6
389.07095	0.8
395.04517	0.4
402.28107	0.2
407.08133	4.5
408.07950	0.4
433.05774	0.3
451.07080	31.9
452.07306	2.8
547.16321	0.3
565.16742	0.3
566.97766	0.2
599.70752	0.2
607.19147	0.3
650.40045	0.7
651.17682	2.9
651.39911	0.4
652.17737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4124
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
50.00885	1.2
57.25034	1.1
59.01387	18.4
71.01389	14.1
79.62925	1.2
88.05223	1.1
89.02451	25.1
95.50824	1.4
101.02457	6.1
113.02470	4.5
119.03506	3.0
131.03549	1.5
139.21834	1.2
143.03526	1.6
161.04567	3.4
179.05673	12.5
404.38663	1.4
421.92038	1.5
471.34827	100.0
472.35107	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	651.412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67689	0.9
52.71655	0.8
59.01387	14.8
65.95027	0.9
70.97473	1.4
71.01389	11.9
73.02925	0.9
77.41196	0.9
87.00912	1.1
89.02454	18.6
101.02477	6.2
104.28316	1.0
113.02451	3.8
119.03539	1.8
131.03539	1.4
143.03534	2.0
161.04562	2.6
178.30237	0.9
179.05634	10.2
215.80740	1.1
243.61069	0.9
246.77872	1.0
289.18097	0.9
302.85474	0.9
471.34845	100.0
472.35327	11.0
478.49588	1.0
531.42657	1.3
553.35168	1.7
610.13702	1.1
680.58130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46710	0.6
59.01384	0.7
66.84381	0.8
70.32792	0.6
72.99332	1.8
78.72528	0.6
96.96020	10.0
98.95592	0.8
102.23430	0.6
108.02166	1.1
109.02965	17.0
113.04030	1.0
121.02959	1.0
135.04544	2.8
145.03000	0.9
147.04485	1.0
149.02516	0.8
159.04555	1.5
161.02467	0.7
173.02408	1.0
175.04054	1.3
179.03487	1.1
185.02448	12.6
186.03194	2.7
193.06563	2.7
195.04515	0.7
197.04567	1.2
204.05695	0.9
209.06142	1.4
219.04466	0.7
220.05391	1.8
221.05992	3.9
223.04059	1.5
225.05545	1.8
226.05392	0.8
229.04883	0.7
232.05391	1.2
233.06281	0.9
235.04213	0.7
236.04810	0.7
237.05669	3.1
239.07175	1.5
242.04648	1.1
247.04065	2.2
248.04803	2.6
249.05627	7.4
250.06197	0.9
251.03519	6.9
252.04228	1.7
253.03822	2.6
254.04655	0.8
260.04840	0.7
263.03476	0.7
264.04367	1.3
265.05081	7.8
266.05695	1.7
267.06668	4.0
270.04099	1.3
275.03510	1.8
276.04236	1.9
277.05042	9.6
279.03040	11.2
280.03802	3.8
293.04599	14.0
294.04749	0.9
295.06152	9.8
298.03589	1.7
303.03030	2.4
319.02682	0.9
321.04056	100.0
322.04379	4.7
337.03644	0.7
339.05090	18.8
340.05356	1.2
652.11273	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	653.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40694	0.2
51.82083	0.2
72.99297	0.4
79.95752	3.0
96.96021	100.0
105.91518	0.2
109.02956	1.3
113.92103	0.2
114.68049	0.2
119.05071	0.2
121.02934	0.2
123.04574	0.3
133.02957	0.6
135.04529	1.9
145.17725	0.2
156.51895	0.2
159.04578	0.3
161.02454	0.7
163.03998	0.3
177.05566	0.2
179.03532	1.1
185.02483	0.8
197.04637	0.2
223.77786	0.2
273.77878	0.2
295.06152	3.2
313.07169	0.7
357.06216	0.6
359.07629	0.2
395.00470	0.3
493.11456	0.7
537.10229	0.4
575.05054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70987	0.2
61.20396	0.1
71.68850	0.1
72.99329	0.5
79.95744	3.3
96.96021	100.0
97.96026	0.2
101.02474	0.2
105.96387	0.1
109.02972	1.4
133.02951	0.4
135.04539	1.6
147.04533	0.2
151.04002	0.2
159.04568	0.3
161.02464	1.0
177.01918	0.2
179.03539	1.2
185.02507	1.2
197.04601	0.3
203.03557	0.4
295.06168	4.2
296.06387	0.2
313.07098	0.5
357.06332	0.4
359.07892	0.4
493.11206	0.8
494.11346	0.2
537.10522	0.2
575.04816	0.2
581.30072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41571	0.2
58.03278	0.2
59.01393	0.2
66.54574	0.1
67.24214	0.1
72.99296	0.3
79.95743	3.1
96.96022	100.0
109.02969	0.5
123.04532	0.2
133.02965	0.4
135.04529	0.6
147.35413	0.2
161.02451	1.8
179.03476	0.5
182.53444	0.1
197.04601	0.4
207.85249	0.2
290.14307	0.2
293.04462	0.3
314.68015	0.1
321.04044	0.5
339.04932	0.2
359.07678	1.2
479.97864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65058	0.1
58.14843	0.1
69.69872	0.3
71.01460	0.1
72.99318	0.3
79.95745	3.3
82.95412	0.2
96.96021	100.0
97.95961	0.1
98.21905	0.2
109.02970	0.3
116.92823	0.1
123.04554	0.2
133.02963	0.3
135.04590	0.5
160.29016	0.1
161.02455	1.4
179.03563	0.2
197.04591	0.3
293.04562	0.1
321.04108	0.3
339.05386	0.1
359.07718	1.1
493.59500	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	653.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87301	0.2
59.01123	0.5
59.01386	4.0
62.79534	0.2
64.01058	0.2
71.01392	1.9
71.86864	0.3
72.99284	0.3
85.02975	0.3
88.10242	0.3
88.98787	0.3
89.02459	1.4
93.86801	0.2
96.83765	0.2
96.96014	0.9
96.96770	0.3
98.21761	0.4
101.02454	0.8
105.03449	0.4
109.02946	2.5
113.02458	0.5
117.03479	0.8
119.03580	0.3
119.05053	1.8
121.02913	0.6
132.02164	0.9
132.84041	0.3
133.02972	20.4
134.03830	0.6
135.04543	10.9
136.04913	0.3
144.75381	0.2
145.02966	0.5
149.02481	2.4
149.06099	0.4
150.03246	2.5
160.01654	0.3
161.02463	100.0
162.02829	2.3
163.03979	1.3
174.03285	0.6
175.04005	0.7
177.05595	1.4
179.03517	18.9
180.03828	0.6
180.33073	0.3
197.04518	0.3
203.03534	1.8
212.86659	0.3
221.04460	1.3
239.07175	0.6
249.05611	0.5
250.06456	0.4
251.05650	0.7
255.06635	0.4
266.05893	0.5
267.06647	8.1
267.09366	0.5
268.07111	0.5
281.06625	1.0
283.06250	1.1
311.05658	9.3
312.06143	0.5
313.07220	1.7
341.08813	52.7
342.09061	2.5
419.21808	0.3
439.41718	0.3
441.83411	0.3
473.10818	0.9
491.10172	0.4
653.32300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40490	1.6
58.42772	1.6
64.36887	1.7
70.50301	2.8
70.50631	2.2
78.95915	100.0
90.14571	1.6
113.62020	1.9
141.87216	1.7
142.10696	1.5
149.00140	3.6
186.47675	1.8
200.44612	1.7
205.15973	1.8
285.12628	4.7
314.33032	1.7
355.16888	3.2
368.48862	1.6
447.13455	4.1
480.03055	2.0
644.46594	2.1
653.30219	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	653.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.9
57.03432	0.7
58.00595	1.2
59.01386	49.5
61.98852	0.7
62.94995	0.6
66.61062	0.8
67.14384	0.6
68.99849	0.7
69.03456	1.9
71.01390	33.9
73.02948	5.9
75.00869	0.9
81.03468	2.4
83.01382	4.1
85.02965	7.3
87.00890	7.9
88.98814	0.6
89.02454	31.1
91.04015	0.8
94.36337	0.7
94.95973	0.6
95.01396	1.3
97.02955	6.2
99.00890	2.1
101.02454	27.9
103.00382	0.6
111.00924	0.9
111.04517	1.3
113.02452	13.0
115.04053	0.9
118.27267	0.6
119.03528	9.8
125.02457	11.8
131.03467	1.1
133.05132	1.2
141.01974	0.9
143.03539	5.7
149.04558	1.0
161.04568	6.0
167.03499	0.6
169.05048	0.9
173.04784	0.7
174.40912	0.6
179.05612	6.5
199.06171	0.8
217.07121	1.3
221.06676	2.3
231.46846	0.7
235.08261	12.6
245.06712	1.1
253.09299	2.5
255.23320	100.0
256.23615	3.4
263.07748	1.2
287.07687	3.2
305.08841	3.5
319.43399	0.7
323.09579	1.2
336.27008	0.8
397.13547	82.2
398.13913	2.5
415.14563	31.0
416.15042	0.9
471.34924	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	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77226	1.1
54.23827	1.0
55.01886	1.3
57.31733	1.0
59.01385	50.2
61.98837	1.3
69.03466	1.4
70.75496	0.9
71.01389	31.5
72.99301	1.4
73.02953	6.5
75.00819	1.1
83.01386	2.7
85.02151	1.1
85.02972	7.4
87.00887	9.0
89.02457	31.0
95.01405	2.3
97.02974	6.9
99.00902	1.5
101.02452	30.7
110.21810	0.9
113.02460	13.2
113.68996	1.0
119.03513	11.7
125.02462	11.3
131.03560	1.7
133.05048	1.1
135.04608	1.5
139.03981	1.4
143.03522	6.5
149.04520	1.3
152.99638	2.2
158.40562	1.1
161.04584	5.5
179.05627	6.7
185.04608	1.1
215.48851	1.0
217.07278	1.2
221.06607	1.6
235.08282	14.2
245.06651	1.3
253.09244	2.9
255.23317	100.0
256.23682	3.1
263.07703	1.5
277.09045	1.0
287.07721	4.3
305.08682	4.2
323.09695	2.2
397.13519	89.4
398.13693	3.3
415.14572	33.1
653.38135	1.2
674.33398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64230	3.5
56.55352	3.2
61.98843	5.5
65.70449	3.5
65.89419	3.5
76.06857	3.5
85.77377	3.4
99.92628	4.4
100.36379	3.5
100.43228	3.4
100.93418	4.0
103.68759	3.1
115.92117	13.9
116.92135	4.1
116.92889	43.8
117.92925	17.6
118.92651	9.4
118.93394	5.8
135.04562	13.4
141.73143	3.3
146.21970	3.3
161.02495	7.1
175.31282	4.1
176.65642	3.2
179.03543	8.4
235.36482	3.9
452.07294	8.1
453.07370	17.7
454.08081	6.0
589.29590	4.4
653.44244	100.0
654.45447	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	655.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43277	0.4
69.14175	1.4
69.14601	1.6
72.99310	1.3
79.95747	3.4
81.95320	1.6
88.55657	0.4
96.96019	100.0
97.95928	2.5
97.96512	0.7
98.22620	0.8
98.95604	46.8
98.96423	6.8
99.92596	7.1
100.93380	2.7
109.02943	1.5
115.92093	1.9
116.92865	4.1
117.03471	0.4
121.02959	1.6
133.02953	1.4
134.03705	0.4
135.04552	6.0
147.27832	0.4
149.02461	0.7
151.04070	0.4
152.04662	0.4
161.02467	1.6
173.02530	0.8
177.01936	0.5
179.03491	2.7
185.02461	0.8
197.04456	0.4
202.98015	1.0
204.95956	0.9
205.96832	0.8
206.97655	1.0
215.95280	1.1
216.96024	1.5
217.96799	3.9
218.95654	0.5
218.97507	2.6
219.98376	1.2
232.95479	0.9
233.96284	3.3
234.97054	1.9
246.97101	1.2
255.06613	0.6
260.94931	0.6
261.95764	5.2
262.96475	3.7
263.97305	1.6
269.07895	0.5
293.99976	0.8
295.06174	3.8
295.09222	0.6
296.06476	1.1
297.06525	0.6
307.00461	0.9
318.00000	0.8
323.00104	0.6
333.99216	1.0
335.00348	1.6
337.98987	0.6
338.99567	0.8
350.99454	0.8
354.99103	0.7
359.07434	0.6
361.98926	2.4
365.98206	0.6
366.99017	0.8
378.99039	0.9
379.99957	1.3
394.02957	0.5
394.98282	2.8
440.03772	1.0
456.03455	0.6
456.98734	1.6
493.11243	0.6
513.64252	0.4
539.10907	0.6
545.01105	0.6
557.01868	1.6
565.90308	0.5
575.03003	2.9
601.00879	4.0
619.01978	10.7
620.02356	0.6
655.04163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51408	3.4
72.99310	14.1
73.36224	0.6
79.16306	0.8
87.38466	0.7
88.18864	0.8
89.03975	1.0
92.60802	0.8
93.03452	1.6
94.15763	0.8
96.96007	3.1
104.50329	0.7
105.81225	0.9
108.02171	2.4
109.02959	89.5
110.03275	1.2
110.42159	0.7
117.03468	3.2
119.05041	0.9
119.31771	1.0
121.02959	3.0
122.03745	1.4
123.00890	1.0
123.04531	18.7
123.05382	1.5
133.02956	3.6
134.03752	2.4
135.03488	1.3
135.04530	22.4
135.29401	0.8
137.02452	1.1
141.03493	0.8
145.02985	3.9
147.04486	4.6
148.01682	1.3
149.02515	5.2
150.03203	1.5
151.04033	3.5
157.02969	7.5
158.03743	2.4
159.04523	12.4
161.02448	7.6
163.00462	1.0
164.01187	1.5
173.02440	10.5
174.03113	1.1
175.04015	4.1
178.02632	1.0
179.03520	12.0
181.05051	0.9
185.02454	100.0
186.03207	13.7
189.07677	1.3
193.06607	1.0
197.04547	11.3
197.06134	1.3
203.03479	4.2
209.06125	2.1
211.04239	1.0
211.06114	3.1
219.04546	1.1
220.05214	1.5
221.06067	3.4
224.04849	1.6
225.05620	1.4
237.05586	3.7
239.07143	2.2
247.04071	2.5
248.04697	2.4
249.05615	4.7
250.06322	4.6
253.05049	1.9
264.04318	1.3
265.05103	8.6
266.05774	4.8
267.06656	26.4
268.06943	1.4
269.08096	2.6
276.04257	3.2
277.04980	5.3
279.03027	1.5
280.03793	1.1
292.03824	1.7
293.04587	37.5
294.05014	2.3
295.06134	72.4
296.06277	2.5
309.12106	0.9
311.05630	35.5
312.05923	1.1
313.07257	2.6
321.04004	5.8
326.04361	1.5
328.07709	0.8
339.05057	3.0
341.06546	2.2
346.55988	0.8
359.07767	9.7
361.09332	14.5
457.09134	2.1
473.08469	1.6
491.09821	2.3
552.64453	0.9
655.14532	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	655.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16043	0.8
71.42100	0.9
72.99319	3.4
93.03471	3.4
105.03499	1.2
108.02172	1.4
109.02964	38.3
109.03707	1.9
117.03474	1.5
119.05070	1.5
121.02975	1.1
123.04576	5.7
123.05367	1.0
127.35987	1.0
133.02943	3.5
135.04530	6.6
141.03560	1.1
145.02960	4.0
147.04530	2.8
149.02464	1.1
150.03233	4.0
151.04010	4.9
157.02968	3.1
159.04544	3.8
160.01688	2.1
161.02446	8.6
162.47148	1.0
163.04082	1.0
173.02469	5.6
175.04025	2.0
177.02008	1.0
179.03465	2.1
181.05109	1.6
184.01736	2.0
185.02461	34.4
186.03291	7.7
193.06540	4.6
197.04536	1.4
201.02060	1.7
204.05797	1.8
209.06094	2.5
213.01945	2.1
213.05580	1.1
214.02689	1.0
219.04614	2.6
220.05344	4.1
221.06064	10.0
223.04016	1.6
223.07567	1.4
224.04695	1.3
225.05635	3.0
226.40628	1.0
232.05339	4.5
233.05989	2.6
235.04042	1.2
236.04765	1.5
237.05571	7.4
239.07158	2.4
247.04039	5.2
248.04816	6.9
249.05611	18.3
250.02699	1.5
250.06210	1.9
251.03531	7.8
251.05890	1.0
251.07138	1.6
252.04265	2.6
253.04993	1.4
260.04871	2.6
261.05652	2.5
263.03333	1.1
264.04312	2.7
265.05069	13.7
266.05612	1.7
267.06677	7.2
269.08267	1.3
275.03464	2.7
275.06479	1.0
276.04349	5.2
277.02069	2.1
277.05051	26.4
278.02301	1.4
278.05676	1.9
279.03049	22.2
279.06363	2.5
280.03729	6.5
291.06705	1.6
292.03854	3.3
293.04596	32.0
293.07898	1.6
294.05167	2.7
295.06146	28.1
303.02985	4.3
304.03638	1.5
305.04501	7.6
307.06067	3.0
313.07101	3.1
319.06027	1.9
321.04071	100.0
322.04178	4.5
323.05658	13.0
339.05124	62.5
340.05573	2.6
351.05173	3.2
363.05090	2.2
403.11850	1.5
429.09818	4.7
447.10916	8.9
457.09402	6.7
473.08826	86.9
474.09189	4.1
503.09799	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	655.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.3
70.48489	1.8
71.41088	2.2
72.99317	9.8
75.97501	1.8
81.03455	2.5
96.96013	4.5
109.02962	71.0
119.05003	2.5
123.04517	5.9
133.02977	3.0
135.04553	16.7
137.02443	3.1
140.64862	2.0
145.02972	3.0
147.04550	3.2
151.04012	8.5
155.74545	1.9
159.04556	10.4
159.23955	2.5
161.02460	6.4
173.02382	6.8
175.04144	2.4
179.03450	9.7
184.01566	2.4
185.02446	38.7
186.03165	8.1
193.06567	5.0
197.04500	9.2
209.06049	2.2
220.05351	2.3
221.06107	12.5
225.05559	2.1
235.04099	2.7
237.05519	6.2
247.03915	3.8
248.04800	8.8
249.05554	20.7
250.06204	2.5
251.03502	8.0
252.04277	4.6
264.04214	4.9
265.05075	16.6
267.06558	12.9
269.08246	15.9
275.03494	3.5
276.04181	2.4
277.05090	24.7
279.02985	27.5
280.03784	9.2
281.04459	2.4
293.04599	33.4
293.07739	2.5
294.04959	2.2
295.06165	44.2
303.02994	3.6
304.03815	2.7
311.05637	2.5
321.04071	100.0
322.04382	4.1
339.01324	3.7
339.05148	53.6
363.05316	2.7
429.09787	5.1
447.10660	8.5
473.08813	81.3
474.08936	3.9
536.73700	2.6
627.78558	2.0
655.17047	2.4
655.36682	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	655.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99746	0.6
59.01379	1.2
62.53219	0.6
63.90005	0.6
70.65062	0.7
72.99312	10.3
73.30138	0.7
86.54546	0.7
96.96021	2.5
109.02951	2.4
116.92902	1.5
119.05042	3.1
121.03043	1.0
123.04572	3.9
133.02975	19.5
134.03729	0.8
135.04547	18.9
145.02994	1.7
145.38960	0.7
149.02451	2.4
150.03194	1.6
161.02464	100.0
162.02815	2.1
163.04050	5.1
177.01884	0.9
179.03529	11.1
181.05075	12.3
197.04564	10.0
241.40782	0.8
251.07190	0.9
267.06750	3.7
268.81378	0.8
279.03198	1.0
280.57745	0.7
295.06006	1.0
311.05560	5.4
313.07022	1.4
321.04047	1.6
329.06552	1.2
343.08246	15.4
359.07770	16.8
487.00320	0.7
493.11404	0.8
509.10977	1.3
587.41705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50154	0.5
59.01391	0.6
61.98836	0.7
66.01927	0.4
70.66557	0.5
71.25661	0.9
72.98911	0.7
72.99315	12.3
75.04916	0.5
88.52015	0.4
99.04519	0.7
109.02956	1.5
117.03531	0.7
121.02995	0.7
123.04530	5.6
132.02188	0.9
133.02988	20.1
134.03755	1.2
135.04552	19.8
137.02444	0.6
145.02989	2.0
145.49940	0.5
149.02448	3.6
150.03265	0.8
151.04056	0.6
161.02466	100.0
162.02831	1.8
178.02739	0.8
179.03513	16.3
179.95471	0.5
180.03801	0.6
197.04573	18.9
223.02454	0.6
251.07060	1.2
295.06302	1.1
306.61404	0.6
311.05832	0.6
313.07410	0.7
325.70834	0.5
343.08325	1.1
359.07761	41.6
360.07935	1.5
487.34351	1.3
582.29730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54065	1.6
55.23061	1.5
56.55080	1.7
59.01391	1.9
66.98905	2.0
70.16447	1.7
72.88902	1.6
72.99318	35.2
89.04011	1.7
96.96018	7.3
100.19672	2.3
108.02192	3.4
109.02971	55.5
116.02420	1.7
116.92847	4.8
117.03458	5.7
121.02988	3.9
123.04559	16.8
132.02141	2.0
133.02058	2.6
133.02986	25.8
134.03754	3.2
135.04547	41.2
136.04944	2.3
137.02419	2.7
139.20627	1.8
145.02980	17.6
147.00914	2.3
147.04515	5.2
149.02444	9.9
150.03195	1.9
151.04001	7.6
157.02971	4.9
159.04538	8.5
159.96761	2.0
161.02466	100.0
173.02417	2.6
179.03520	48.3
180.63474	2.2
185.02467	45.0
186.03169	6.7
197.04575	49.6
197.06364	2.5
209.11719	2.9
239.07175	3.0
249.05615	3.7
250.06396	1.9
251.07143	28.8
253.05156	2.8
254.05811	3.0
267.06662	15.3
269.08212	20.5
275.96082	1.9
277.05035	5.3
288.36047	2.1
295.06149	68.4
296.06464	3.4
303.99069	2.3
311.05673	11.1
313.07095	5.8
329.06754	32.7
335.05774	2.6
343.08167	5.2
347.07620	4.9
359.07822	15.7
431.11383	6.3
458.59116	2.9
466.88184	2.0
475.10394	24.4
487.34515	2.9
491.09924	5.6
493.11322	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	655.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49023	0.5
58.59206	0.6
59.01386	4.9
61.98838	0.6
65.82600	0.6
68.99840	0.7
69.73208	2.1
71.01391	8.3
72.99316	3.7
73.02955	1.5
75.00874	0.6
83.01393	1.7
85.02962	2.5
86.64887	0.6
89.02456	1.0
92.02702	2.4
93.03471	35.0
94.03822	0.9
95.01411	1.7
95.05036	0.5
96.96027	1.4
96.99333	1.2
97.02961	0.5
101.02445	6.5
107.01428	1.0
107.05013	1.2
108.02187	6.7
109.02973	2.8
113.02463	3.6
119.05053	1.6
121.02985	3.6
122.03761	3.3
123.00908	4.4
123.04543	10.2
125.02459	1.4
133.02956	2.5
134.03751	2.1
135.04538	6.3
136.01678	17.2
137.02463	64.7
137.06094	1.5
138.02829	1.6
145.03035	0.6
146.03827	0.8
147.04520	2.2
148.01666	4.4
148.05193	0.7
149.02426	3.4
149.06149	0.9
150.03256	4.9
151.04022	18.7
153.01912	0.6
153.05600	3.5
159.04622	0.7
161.02448	4.5
161.04483	1.0
162.03098	1.1
163.04034	7.4
164.04851	1.5
165.05554	1.2
166.02734	18.9
167.03293	0.8
175.04074	1.0
177.01944	10.5
177.05505	0.6
178.02740	63.7
179.03500	9.7
180.03928	1.1
181.05092	29.2
182.05312	0.8
187.04019	0.7
191.03531	1.6
192.04276	3.9
193.05080	100.0
194.02235	1.3
194.05475	2.5
197.04593	3.9
207.06718	0.8
209.04576	13.6
211.06207	2.6
214.06354	0.8
215.07423	0.7
221.04625	1.0
233.04459	0.7
239.05659	4.3
244.71750	0.6
254.05804	1.4
259.06183	2.7
264.67438	0.6
269.08295	3.3
270.09042	0.8
272.66162	0.6
281.06689	50.2
282.07010	1.2
282.38757	0.6
283.05963	0.9
285.11404	0.7
287.05759	1.2
313.10779	1.4
328.09698	0.8
329.06699	3.1
330.07492	2.5
343.11938	10.1
344.12558	0.6
373.13141	1.6
389.08887	0.6
433.11462	19.0
433.17407	0.9
434.11694	1.2
445.11212	0.7
450.11835	1.6
457.11520	1.5
463.12524	18.5
473.11008	7.7
474.11594	1.6
475.12512	80.5
476.12799	4.4
479.11874	5.1
492.12808	21.4
493.13348	5.4
494.13464	0.9
506.10425	0.8
509.13406	0.7
655.20636	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	655.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
59.01385	4.2
71.01382	10.6
72.99307	1.2
73.02941	1.9
76.97507	0.5
77.83460	0.5
81.17273	0.5
83.01392	2.3
85.02947	4.4
87.00873	0.7
89.02451	1.5
92.02682	2.6
92.97412	0.5
93.03465	43.4
94.03799	0.8
95.01390	1.4
96.96027	1.0
96.99317	1.5
97.02975	0.7
97.72403	0.5
98.21905	1.4
99.00898	0.8
101.02458	8.4
107.05002	0.6
108.02183	2.7
109.02959	13.3
113.02458	4.2
117.03445	0.5
119.05011	0.9
120.02137	0.6
121.02957	3.1
122.03768	0.9
123.00930	0.9
123.04517	3.2
124.01731	0.7
133.02953	1.2
134.03749	1.8
135.04572	2.7
136.01669	12.6
137.02460	79.9
138.02800	1.2
139.04030	2.3
145.02951	1.1
146.03738	3.2
147.04520	1.6
148.01711	2.8
148.05350	0.6
149.02463	9.3
149.06068	1.2
150.03281	3.0
151.04028	12.7
153.05597	1.7
161.02481	3.8
161.06133	1.6
162.03252	4.8
163.04047	5.1
164.01161	1.4
164.04793	3.3
165.05568	2.0
166.02744	13.1
167.03528	1.1
173.02538	0.5
174.03232	0.7
175.04002	1.2
176.04768	0.6
177.01968	1.2
177.05576	2.3
178.02747	4.7
179.03534	9.5
179.07147	3.5
181.05087	22.4
188.04794	0.6
191.03561	1.6
192.04156	1.4
193.05081	4.8
197.04517	0.8
207.06601	1.5
211.06195	1.2
219.06551	1.0
221.04573	1.0
254.05858	2.9
255.06619	3.5
267.06613	1.0
269.08151	6.8
270.08948	3.3
271.09668	0.7
281.06680	100.0
282.06891	2.5
283.09708	0.9
284.10593	1.9
285.11417	1.9
295.06299	1.2
298.08429	2.8
299.09232	2.7
310.08469	1.9
311.09103	0.9
313.10834	6.1
325.10809	2.5
328.09583	1.7
329.10330	9.2
343.11884	7.4
355.11835	1.1
359.11423	10.6
373.12891	5.1
461.14563	0.9
595.18146	1.5
655.20349	85.5
656.20880	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	655.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12385	3.5
51.64044	3.4
59.01384	7.7
61.98828	6.3
69.97246	10.4
80.05047	7.4
80.11781	3.8
94.06632	14.2
96.79924	3.9
113.07088	4.1
122.06132	67.6
132.04674	4.4
134.06166	5.0
135.04536	9.2
148.04031	4.6
150.06917	16.0
161.02480	9.3
164.08423	7.9
174.05515	8.9
179.10767	8.2
197.04326	4.4
209.11919	7.4
213.10330	15.4
239.11954	18.3
241.13545	10.3
247.75896	4.4
265.09778	10.2
267.11441	4.6
281.09341	9.8
285.12503	33.0
293.09491	8.8
293.12552	4.7
313.23770	5.3
325.11856	8.1
358.15729	8.2
372.69904	4.8
384.13333	13.5
394.88867	4.2
397.14227	5.2
400.16644	18.7
475.34290	4.9
493.35626	8.6
533.21429	5.7
535.23444	15.2
551.22943	7.0
561.21674	7.0
579.22601	51.0
580.22699	5.7
605.20441	12.4
623.21521	100.0
624.21906	11.4
655.24249	37.7
655.40704	27.6
656.24371	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	655.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98830	2.5
69.10315	12.3
79.08014	1.5
96.99325	3.6
98.21906	3.9
119.95423	1.7
141.01721	56.4
275.06259	2.0
277.21576	3.5
316.33917	1.9
371.24402	1.9
411.20227	2.2
531.70966	1.8
535.27484	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	655.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71814	2.4
54.63096	2.3
55.08182	2.3
59.01086	5.0
59.01383	100.0
62.97064	2.9
69.08850	19.3
71.38482	2.5
78.48269	2.6
96.99321	3.6
135.04521	5.2
141.00685	4.7
141.01718	57.6
161.02452	3.2
206.87036	2.7
275.06131	4.1
277.21872	3.6
293.73102	2.7
320.26816	3.1
348.10529	2.2
359.21527	3.5
535.27191	4.2
595.29364	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	655.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41656	0.5
59.01396	0.9
69.41379	2.0
69.41792	0.8
71.01382	0.7
72.99316	1.1
85.02924	0.8
85.39902	0.5
99.04523	0.6
109.02998	0.7
113.02477	0.7
121.06583	0.6
133.02971	1.6
134.03659	0.5
134.25557	0.5
135.04552	3.1
135.08194	1.3
149.02419	0.7
149.06108	3.7
150.06877	73.0
151.07277	2.2
161.02480	5.9
161.09724	1.2
162.06844	1.0
163.07661	13.6
164.08446	16.5
177.09258	1.3
178.10034	1.6
179.03508	1.9
179.10793	35.6
180.11148	1.1
180.99594	0.5
181.05019	0.8
197.04503	0.7
211.13347	0.6
311.25922	2.3
313.23880	20.7
314.24179	1.3
327.16144	1.2
401.23547	0.6
461.16089	1.0
474.33380	1.0
475.34369	6.4
476.35092	0.7
478.33133	3.3
492.34546	8.9
493.19199	1.9
493.35364	37.0
494.35815	1.9
507.36731	1.4
535.36169	1.5
655.40668	100.0
656.40973	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	657.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
60.99306	1.2
72.99316	27.5
75.02014	0.7
75.32680	0.7
80.51425	0.7
85.33554	0.7
88.98830	5.2
93.03436	0.9
96.45396	0.6
96.96026	15.7
98.95613	1.7
108.02168	1.7
109.02970	48.9
110.03307	1.4
119.05068	0.9
121.02969	4.1
123.04545	11.0
129.03526	0.8
133.02969	4.2
134.03749	2.0
134.12085	0.8
135.04538	18.8
137.02458	1.4
145.02992	2.1
147.04543	2.8
148.01680	7.6
149.02470	4.2
150.03238	2.6
151.04031	7.7
157.03011	3.8
157.04207	0.7
159.04535	7.5
161.02489	2.2
173.02443	5.5
175.04036	2.0
177.01904	1.0
179.03517	18.3
185.02455	53.7
186.03189	6.8
196.05389	0.9
197.04572	40.1
198.04860	1.6
200.50368	0.8
203.03465	3.5
209.06200	1.2
211.07773	0.8
212.04755	1.2
221.05875	1.1
224.04601	1.3
225.05620	0.8
227.07236	1.2
237.05566	1.4
239.07123	2.6
242.05789	0.9
249.05655	2.0
253.05072	1.7
255.06754	4.5
257.08130	3.6
260.04770	0.9
264.92651	0.7
265.05032	1.1
267.06650	4.0
269.08249	0.9
277.05109	2.2
283.06232	2.1
285.07718	5.4
293.04556	2.9
295.06152	50.4
296.06381	2.3
306.57712	0.8
311.05536	4.5
313.07208	4.7
329.06689	11.2
330.07095	1.3
331.08505	0.9
338.09656	0.8
361.09326	100.0
362.09729	7.2
431.32947	0.8
491.10641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65138	0.6
59.01364	0.9
61.98846	0.9
70.92538	0.7
71.40846	0.6
72.99316	1.0
81.07454	0.8
88.98822	0.9
89.03999	0.9
91.76129	0.6
92.14899	0.6
96.96033	1.5
101.02431	0.7
105.03460	3.1
107.05057	1.3
109.02970	8.0
110.72095	0.7
116.92846	1.2
117.03468	2.1
121.03020	0.6
133.02971	25.9
134.03769	5.8
135.04541	100.0
136.04865	2.7
137.02449	1.2
145.02933	4.0
159.04514	1.1
161.02473	14.7
163.04068	1.6
173.02394	2.1
174.03220	2.9
175.04013	1.3
177.01949	19.0
179.03513	65.0
180.03821	1.1
181.06650	1.3
193.06708	0.8
203.03552	2.0
209.06104	8.6
219.04565	1.7
221.06117	2.1
227.07297	0.6
236.04858	1.4
237.05577	33.5
238.06151	2.6
239.03537	1.0
240.04208	1.8
241.05048	1.7
248.04819	3.0
253.04987	2.0
254.05855	2.5
255.06631	5.6
261.05597	1.6
263.07135	1.9
264.04193	2.2
265.05072	38.0
266.05811	18.3
267.06631	13.4
277.05170	1.3
279.06586	4.7
281.04620	1.0
282.05371	2.0
283.06128	9.0
291.03394	0.8
291.06653	17.0
292.07220	1.3
295.06155	0.8
297.07663	1.7
322.60373	0.7
335.05551	1.4
367.08289	0.7
368.69012	0.6
401.10388	19.6
402.10336	1.0
445.09338	14.4
446.09769	1.4
463.10483	1.0
477.11761	1.9
477.24478	0.7
499.77881	0.7
515.09766	1.1
516.16681	0.6
625.13556	6.0
626.13373	0.8
657.16089	24.4
658.16412	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84050	1.1
59.01367	4.1
61.98804	2.2
67.78175	1.4
69.75087	4.0
72.99328	6.1
80.05052	2.6
82.95421	2.0
87.44793	1.2
88.63888	1.1
91.76160	1.4
94.06639	16.8
96.96015	6.4
106.06667	2.4
106.29591	1.2
107.03787	3.1
108.04632	1.5
109.02936	2.1
116.92869	5.8
117.03452	1.9
120.08191	10.9
122.06138	100.0
123.04527	1.9
123.06406	2.5
132.04582	2.0
133.02982	6.6
134.06122	2.0
135.04546	7.4
136.07663	3.0
145.02927	2.7
146.03264	1.4
149.02435	2.1
160.04024	2.3
160.20230	1.3
161.02463	17.0
162.02806	5.9
165.22641	1.5
174.05524	1.7
179.03590	6.1
180.03873	1.5
183.11177	1.1
190.05064	3.1
197.04579	4.8
198.04942	3.1
209.11839	10.6
211.08798	1.6
211.13519	9.8
213.10315	1.6
215.11765	1.3
223.08774	7.3
224.09581	2.8
225.10338	1.4
235.08548	1.4
235.12411	2.2
236.09549	1.8
237.10414	7.4
238.11142	5.3
239.11899	6.8
241.13438	3.7
249.06647	1.9
249.10300	2.9
251.08080	4.6
251.11966	6.0
252.07564	1.4
263.08261	5.6
263.11884	1.5
264.09137	7.5
265.09875	11.0
266.10538	1.5
267.11356	2.4
276.09048	2.9
277.09805	4.2
278.10559	3.0
279.11423	17.0
280.12027	5.1
281.09253	2.2
283.10898	2.1
285.12497	1.7
291.11389	4.9
292.12183	3.4
293.09262	3.5
293.12875	4.1
295.06146	1.6
295.10931	3.7
301.11804	1.9
305.09488	1.3
324.11203	2.0
325.11899	2.4
329.06860	2.1
330.06885	2.8
331.07364	1.6
337.12106	1.8
356.13852	2.4
358.15512	3.2
359.07892	1.6
359.16367	2.5
360.07962	1.8
360.17172	2.1
372.17136	4.8
374.18674	2.0
398.15198	1.7
400.16586	3.7
402.18326	3.1
412.17020	1.6
413.17404	2.4
414.18259	5.2
415.18689	2.4
416.15698	1.9
418.17661	3.0
431.18677	3.4
441.16843	1.5
446.16785	1.5
458.17285	7.0
459.18201	8.7
460.18448	1.5
490.19766	4.3
491.20514	2.3
495.11401	1.7
495.24179	1.6
502.16418	2.6
503.16910	6.4
513.24744	1.9
521.21790	3.9
534.18817	5.2
535.25153	1.3
537.25195	11.3
553.24658	5.5
554.25409	1.7
563.23291	6.5
581.24176	36.8
582.24573	2.3
597.23590	1.9
607.21838	6.8
613.27234	2.3
625.23059	47.1
626.23260	6.0
657.25702	63.3
658.25891	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	657.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98065	1.1
59.01377	2.0
69.27559	5.8
72.99305	3.4
80.05058	2.6
92.60290	1.2
96.96019	4.1
101.02451	1.4
102.32336	1.2
106.06625	3.1
107.03768	1.3
108.04565	16.5
108.08167	4.8
116.92862	1.8
120.08183	4.8
121.05362	7.1
122.06144	3.8
123.04543	1.8
132.04601	2.6
133.02943	5.0
134.03668	1.3
134.06128	2.4
135.04512	5.8
136.07700	100.0
137.08080	2.3
150.44264	1.4
152.07185	2.6
155.18706	1.2
161.02461	13.6
161.04865	1.5
162.02786	2.9
179.03531	4.4
190.05159	1.8
197.04523	3.6
209.11832	8.1
211.13538	7.1
223.08760	6.1
224.09558	1.5
236.09555	1.6
237.10349	3.8
238.11099	2.5
239.11919	6.4
249.06709	2.1
249.10316	2.4
251.08240	2.6
251.11890	2.3
253.09363	1.4
255.11128	1.2
261.01080	1.3
263.08261	6.9
264.09109	10.3
265.09747	6.4
267.11389	1.2
276.09155	2.4
277.09805	3.7
278.10632	5.4
279.11392	24.3
280.12073	4.4
291.11411	8.8
292.12201	3.7
305.09424	2.1
322.09842	1.7
323.10434	1.7
325.12308	1.4
339.13754	1.5
359.07538	1.6
360.07852	1.7
361.08136	1.7
372.17276	2.4
386.18784	1.9
388.20264	1.7
400.16299	2.8
400.20798	2.0
401.21017	2.1
427.19012	2.9
428.19815	6.2
429.20499	3.0
445.20044	2.6
454.17484	1.6
472.18839	21.7
473.19644	37.0
474.20038	2.5
504.21475	33.9
505.21878	4.4
537.24982	8.1
563.23022	2.1
570.69495	1.4
581.24066	32.2
582.24127	3.3
583.22034	2.4
613.26953	1.8
625.23016	26.1
626.23511	2.6
657.25671	43.1
658.26208	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	657.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.1
61.98836	8.7
69.35932	16.0
71.67159	3.4
72.99312	3.7
76.58446	3.1
80.05071	15.4
82.61259	2.9
83.05016	3.0
83.18649	3.4
91.29366	2.9
94.06583	3.7
96.96006	16.3
106.06609	4.0
107.03779	3.8
108.04561	32.6
116.92863	12.8
119.04932	2.9
120.04557	6.7
120.08253	3.2
121.05343	4.8
122.06145	37.7
132.04578	8.5
133.02957	8.6
134.06116	12.8
135.04543	15.2
138.05585	2.9
145.02925	8.4
146.86127	3.2
148.04057	6.8
150.05635	57.3
153.24521	2.8
160.06467	10.0
161.02470	18.9
162.02814	4.1
162.05617	5.2
164.96999	3.2
174.05550	8.4
179.03481	5.3
183.13899	5.3
190.05103	5.9
201.10417	6.8
209.11885	49.1
211.13423	59.2
213.10390	52.5
223.08800	4.7
225.10306	8.2
226.11195	3.2
227.12900	7.2
237.10326	4.7
239.11942	27.9
241.13550	22.2
243.11345	4.1
247.08904	5.2
247.69495	3.6
251.08182	7.7
251.11954	4.5
253.09392	5.9
265.09860	8.9
279.07797	7.1
281.09445	4.0
285.12473	97.3
291.07843	7.2
293.09305	10.4
293.13000	11.4
311.10248	5.5
321.09039	15.9
328.10760	6.3
330.03040	3.9
330.06766	3.6
339.09882	8.2
342.12234	5.1
343.13153	4.4
344.38910	3.6
353.11401	8.7
358.15604	26.0
370.11621	4.0
371.12540	3.8
384.13400	8.4
392.79196	3.3
400.16718	27.6
412.16586	5.0
450.78699	3.2
479.20966	6.7
521.22113	48.1
563.23059	96.6
564.23083	8.9
565.21051	62.7
566.21594	9.5
581.23865	9.0
597.23859	21.9
607.22070	100.0
608.22107	7.8
625.22821	39.2
639.24371	15.2
657.25525	22.6
657.35089	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	657.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59451	0.4
59.01136	0.4
59.01386	4.4
67.01892	0.9
69.52668	1.7
69.52990	0.4
72.85442	0.4
72.99300	0.9
77.20235	0.4
79.05534	0.4
80.05075	0.6
88.98801	0.7
95.05030	0.5
96.96015	3.5
101.02426	0.5
104.75871	0.5
107.03775	0.9
108.04549	0.4
109.02943	0.5
116.17940	0.4
116.92873	0.7
120.04591	2.3
120.05341	0.4
121.05342	1.2
122.06142	6.8
132.04572	1.0
134.06137	2.7
135.04535	2.4
135.06902	1.3
136.07703	11.4
152.07164	2.4
158.02432	0.6
161.02489	2.2
161.07166	0.8
162.05612	0.8
171.11833	2.8
179.03458	1.5
186.09207	0.6
190.05130	3.1
198.09192	1.5
199.10052	1.9
209.11861	3.8
211.13417	4.9
214.12387	12.8
215.12744	0.6
225.06743	0.7
226.07500	0.5
227.08275	2.0
227.12874	0.6
229.09825	4.6
230.11905	4.2
231.17419	0.4
241.09830	8.1
242.10626	19.4
243.10963	1.3
253.09273	0.6
256.12204	1.0
257.12979	91.9
258.13367	3.6
283.10989	0.5
291.06796	0.5
299.02274	0.6
300.11246	0.7
301.11960	100.0
302.12302	5.7
355.13037	5.7
495.37537	0.5
499.38245	0.5
553.20502	0.5
581.24438	0.6
625.22754	1.0
657.25629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49055	0.3
61.98849	0.7
70.64284	0.4
72.99320	16.6
82.37375	0.4
93.03493	0.4
95.05006	0.4
100.93892	0.3
105.03466	0.9
107.05083	0.5
109.02978	1.0
121.02959	0.9
122.03768	0.8
123.04544	7.8
132.02194	1.3
133.02977	28.9
134.03784	4.6
135.04546	16.9
137.02455	1.8
139.04079	0.5
149.02548	0.6
151.03062	0.2
151.04036	12.6
161.02469	100.0
162.02763	2.2
166.69731	0.4
177.01900	0.5
178.02747	7.7
179.03520	19.5
195.02812	0.5
197.04576	14.2
204.57320	0.3
223.02499	0.5
267.12900	0.4
268.07364	0.5
270.09116	0.4
299.20163	7.2
313.07355	0.6
314.08011	0.4
323.87112	0.4
358.07004	1.1
359.07767	59.9
360.08206	3.5
454.31186	0.4
495.24069	2.8
521.22009	1.0
552.74164	0.4
657.27252	3.0
658.27545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14050	1.1
72.99310	20.0
98.69109	1.2
99.81770	1.2
119.83960	1.0
121.02936	1.8
123.04562	10.6
132.02177	1.7
133.02969	27.5
134.03755	5.1
135.04544	17.8
137.02472	1.6
139.04044	1.7
139.76050	1.1
151.02849	2.2
151.04028	28.0
153.36766	1.0
161.02466	100.0
162.02896	1.8
170.88397	1.5
178.02728	4.6
179.03526	17.3
182.82227	1.1
197.04602	13.0
202.94289	1.1
299.20224	13.5
302.05539	1.2
359.07773	51.6
360.08279	1.5
495.24060	8.5
521.21875	1.2
598.45496	1.2
657.27386	12.0
658.28107	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	657.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.7
68.07594	0.5
71.01382	2.9
80.02686	0.7
81.03465	0.9
83.05048	3.4
84.02198	0.7
89.02457	2.2
95.05039	0.7
101.02445	2.1
107.66478	0.5
113.02451	1.1
122.06149	0.6
125.06135	0.7
134.06117	0.5
135.04588	0.7
135.08182	0.6
161.02472	1.6
161.04596	0.6
163.11304	3.2
165.12837	2.2
167.14397	0.6
171.10284	1.4
178.94518	0.5
179.05634	0.5
183.13905	3.9
193.12346	0.9
209.11853	100.0
210.12115	3.1
211.13419	63.9
212.13794	1.4
224.93074	0.5
227.12924	14.3
235.08252	2.0
249.14973	1.1
253.09315	7.5
259.40805	0.5
279.11447	0.9
294.24118	0.5
319.17468	0.5
385.24075	0.6
403.24878	0.9
445.20761	1.1
447.22440	1.1
453.30084	1.3
531.04767	0.5
537.25128	0.5
581.24261	1.7
619.56006	0.6
621.32611	0.9
639.33545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98825	1.2
71.01388	0.8
71.43354	0.7
72.99305	2.7
83.04988	0.6
90.79570	0.8
93.03454	0.7
96.96029	6.3
99.92606	1.0
100.50478	0.6
107.05022	0.7
109.02969	2.2
111.04523	0.9
113.02471	1.0
116.92915	3.3
120.98328	0.7
121.06585	2.7
122.03754	0.8
123.08192	0.8
125.71399	0.7
132.69157	0.7
133.02940	4.1
134.03778	0.9
135.04541	8.9
136.05321	48.3
137.02441	2.7
137.05710	1.1
145.02939	1.1
147.08151	1.7
148.05241	0.8
149.02475	1.0
149.06122	7.1
150.06888	7.6
161.02455	13.7
162.02815	0.8
163.07590	1.5
164.04770	0.9
164.08380	3.7
165.09229	55.7
166.09503	1.9
173.02466	1.4
174.03253	1.6
179.03551	6.1
185.11835	1.9
197.04572	1.5
209.11833	2.6
211.13417	2.1
214.12274	1.0
215.12793	1.2
237.05611	1.1
254.05881	2.5
255.06735	1.8
257.12939	2.8
267.06558	0.7
283.06119	5.0
301.11826	2.9
311.22504	1.6
312.99930	1.1
327.21979	0.9
328.02341	0.9
329.23358	30.9
330.03738	0.8
330.23798	1.4
343.04721	1.0
345.06219	1.3
400.30124	0.8
437.03073	0.8
449.32651	1.2
459.31229	0.9
477.32327	9.4
481.28000	1.0
494.32355	3.8
495.33276	41.1
496.33658	3.2
657.38635	100.0
658.39020	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	657.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98825	1.2
71.01388	0.8
71.43354	0.7
72.99305	2.7
83.04988	0.6
90.79570	0.8
93.03454	0.7
96.96029	6.3
99.92606	1.0
100.50478	0.6
107.05022	0.7
109.02969	2.2
111.04523	0.9
113.02471	1.0
116.92915	3.3
120.98328	0.7
121.06585	2.7
122.03754	0.8
123.08192	0.8
125.71399	0.7
132.69157	0.7
133.02940	4.1
134.03778	0.9
135.04541	8.9
136.05321	48.3
137.02441	2.7
137.05710	1.1
145.02939	1.1
147.08151	1.7
148.05241	0.8
149.02475	1.0
149.06122	7.1
150.06888	7.6
161.02455	13.7
162.02815	0.8
163.07590	1.5
164.04770	0.9
164.08380	3.7
165.09229	55.7
166.09503	1.9
173.02466	1.4
174.03253	1.6
179.03551	6.1
185.11835	1.9
197.04572	1.5
209.11833	2.6
211.13417	2.1
214.12274	1.0
215.12793	1.2
237.05611	1.1
254.05881	2.5
255.06735	1.8
257.12939	2.8
267.06558	0.7
283.06119	5.0
301.11826	2.9
311.22504	1.6
312.99930	1.1
327.21979	0.9
328.02341	0.9
329.23358	30.9
330.03738	0.8
330.23798	1.4
343.04721	1.0
345.06219	1.3
400.30124	0.8
437.03073	0.8
449.32651	1.2
459.31229	0.9
477.32327	9.4
481.28000	1.0
494.32355	3.8
495.33276	41.1
496.33658	3.2
657.38635	100.0
658.39020	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	658.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36131	0.9
59.01385	100.0
61.98851	1.3
64.26986	0.7
69.06580	4.7
141.01718	68.4
229.57590	0.8
277.21725	3.4
470.04071	0.9
502.29462	2.5
599.98859	0.8
616.56360	0.7
635.98529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27441	0.4
57.63094	0.4
58.93338	0.4
59.01385	75.6
59.56202	0.4
69.79490	0.5
77.07267	0.4
110.12193	0.4
132.98251	1.7
138.01855	0.4
150.94810	1.9
157.03586	1.5
159.01526	1.1
174.99261	29.6
175.99519	0.5
176.98218	0.5
192.95879	10.8
201.02579	19.8
202.02730	1.4
217.00316	100.0
218.00706	1.9
343.03870	2.5
359.01495	33.5
360.01614	2.2
374.99246	56.9
375.99564	1.7
390.70392	0.4
482.85834	0.5
501.02039	0.5
517.00568	8.3
518.00891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	68.3
60.01719	0.5
60.73565	0.6
60.84491	0.5
67.88812	0.6
69.07848	4.3
71.01354	0.5
98.22638	1.1
106.17873	0.6
132.98207	1.1
134.97066	0.9
157.03578	1.5
159.01472	1.0
174.99268	28.0
176.98047	0.8
192.29349	0.6
192.95833	4.3
199.98669	0.6
201.02562	17.1
202.02983	0.6
214.98814	0.7
217.00317	100.0
218.00674	1.8
221.49356	0.5
222.99504	0.6
276.98328	1.1
278.32709	0.5
343.03690	1.3
359.01498	30.4
360.01620	2.2
374.99246	51.5
375.99484	1.2
436.94754	0.6
446.89005	0.6
517.00427	7.8
556.86975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	54.0
60.04694	2.4
61.98813	3.5
68.06908	2.3
69.26884	8.8
69.27280	4.2
72.99288	4.1
76.16371	2.2
80.05073	5.3
85.02985	2.1
87.00881	23.1
94.06644	3.2
96.96029	2.8
103.00372	22.2
103.54832	2.1
106.06622	3.8
107.03796	4.1
109.02978	2.5
112.98827	48.6
122.06130	25.1
123.04499	2.7
130.99892	9.6
133.02953	4.5
134.06143	8.1
135.04546	18.9
150.60968	2.3
152.07188	35.4
153.53682	2.4
160.04071	2.3
161.02467	12.3
167.10786	100.0
168.11063	2.5
173.31497	2.3
174.05602	4.4
179.03481	7.6
180.06657	2.7
188.07199	8.7
197.04517	2.7
213.10341	3.2
225.10291	3.6
227.11992	3.2
231.11435	4.3
239.11829	3.4
241.13399	5.3
245.12982	5.5
251.12000	3.1
253.09883	5.5
257.12994	3.3
267.11435	4.0
285.12680	2.8
287.15372	2.4
295.10931	17.3
299.11395	73.5
303.13556	13.6
307.10788	8.4
323.10452	3.2
359.07690	3.0
460.18958	22.6
476.18604	3.4
504.17889	54.0
505.18231	2.7
536.20428	32.4
541.24615	3.1
583.25836	12.4
609.23315	3.8
627.24585	24.4
659.27502	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	659.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87557	0.7
59.01371	2.0
66.59963	0.7
69.11993	4.4
74.69949	0.6
80.05070	9.4
82.95422	1.6
84.68934	0.8
94.06638	3.9
104.05085	2.6
106.06661	3.4
107.03792	6.2
108.04578	2.4
108.08221	1.0
121.05269	1.3
121.57577	0.9
122.06139	39.1
124.07674	0.9
129.65201	0.6
130.06642	1.1
132.04547	2.7
133.03067	0.7
134.06139	10.9
135.04535	1.1
135.55653	0.7
136.07681	4.9
146.06125	3.0
148.04059	3.0
150.05560	1.4
152.07191	55.3
153.07529	1.0
160.04050	2.3
160.07738	1.0
160.43956	0.8
161.02463	2.0
163.94023	0.7
164.07143	0.8
174.05634	3.5
179.03561	0.7
180.06691	9.1
180.14507	0.7
186.05563	1.3
188.07185	18.1
190.05029	1.1
210.08017	1.7
211.08804	3.5
213.10324	2.4
223.08780	1.2
224.09601	2.0
225.10394	5.7
226.11119	1.2
227.11879	5.1
235.08849	0.9
237.10268	1.9
238.07527	2.3
239.08167	1.5
239.11954	3.7
241.13582	1.6
245.12994	5.8
248.09637	0.7
249.10384	1.8
250.07373	1.4
251.08263	3.5
251.11890	3.8
252.09093	2.9
253.09839	13.1
254.10452	0.9
262.07407	0.8
263.08212	1.3
264.09003	1.2
265.09888	4.2
266.10556	2.0
267.11414	7.2
277.09805	2.4
278.10660	1.4
279.07739	4.1
279.11414	3.2
280.08521	1.9
281.09326	1.9
281.12823	1.0
283.10776	1.0
285.12531	3.2
286.89545	0.7
292.08447	1.1
293.09369	4.0
293.12338	0.8
294.10168	3.5
295.10898	39.1
296.11374	3.1
307.10919	15.4
308.11255	1.0
309.12427	3.1
313.11996	1.3
321.08798	1.7
323.10425	5.8
325.11859	0.8
339.09882	1.6
341.11160	0.8
358.15637	1.5
376.16461	0.8
392.19769	1.2
400.16556	1.5
414.18286	1.1
418.17734	1.1
423.83649	0.8
432.19406	2.5
458.17325	1.1
460.18829	41.6
461.19061	2.7
468.14890	0.9
476.18362	4.0
504.17822	100.0
505.18344	9.5
508.20694	1.8
523.23718	0.9
536.20453	58.3
537.20819	6.0
565.24957	3.5
597.23883	3.1
609.23560	5.2
627.24658	5.2
641.25983	2.5
659.27161	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	659.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88906	3.3
59.01385	8.6
61.98829	7.4
62.06364	3.3
65.01404	3.4
77.25632	2.9
80.02701	3.4
83.61921	3.3
85.06612	5.4
96.96038	4.1
98.21910	9.1
116.92855	7.9
122.06144	12.2
133.03008	6.2
135.04585	18.3
146.06076	4.4
148.04135	3.7
148.07695	24.4
161.02460	21.7
162.05594	5.6
173.07224	37.1
174.05673	5.6
176.07141	4.6
179.03488	10.4
211.13495	4.9
251.11780	7.8
253.13358	5.8
255.11444	6.1
264.09088	5.4
267.07809	8.8
269.13049	5.4
279.08026	4.8
279.11475	8.0
281.09344	6.1
282.10098	11.7
285.12570	6.9
290.07062	4.1
295.10925	21.7
297.12479	72.2
323.10339	58.0
341.11459	4.6
342.50842	3.7
367.09482	34.4
399.12009	9.3
427.62924	4.3
455.31775	5.7
537.25073	9.4
547.23523	10.2
565.24432	21.7
583.25592	19.8
591.22314	10.2
609.23523	18.8
623.24652	4.9
627.24664	100.0
628.24896	5.6
659.26959	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	659.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21189	4.4
59.01404	5.7
68.08436	4.9
69.05750	36.6
71.01378	6.3
92.32885	4.7
105.83227	6.1
111.25054	6.1
116.19585	5.8
215.73404	5.3
369.24280	6.6
387.25552	20.5
405.26373	10.2
417.94333	5.6
593.71777	6.0
608.55450	5.8
623.34442	100.0
623.71259	7.6
670.58228	6.6
685.10022	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	659.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
63.42757	0.2
71.01400	0.4
71.42512	0.3
73.02943	0.8
74.22144	0.3
95.79365	0.3
101.02461	0.5
135.04539	0.4
161.02487	0.4
235.68478	0.3
287.50101	0.3
338.30237	0.3
455.31729	100.0
456.32028	7.5
469.33548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02991	7.2
61.98826	3.5
70.28536	3.6
74.02126	5.1
74.02479	29.0
77.03964	4.3
84.00989	4.1
85.23692	3.9
86.02478	11.5
93.03488	6.2
96.22219	4.2
96.95990	5.5
97.04092	5.7
99.05683	19.5
107.05045	5.5
109.01193	9.0
109.02991	7.2
109.04032	4.3
121.02975	8.7
125.00652	6.2
125.03584	14.4
127.05175	5.1
128.03564	75.8
133.02974	17.3
135.04536	10.4
137.00658	17.0
139.02228	9.0
141.00134	5.2
141.06728	4.7
143.04642	70.6
145.06375	4.9
146.04648	6.4
148.01651	4.3
149.00552	4.5
149.02489	21.8
153.00186	43.0
161.02441	16.2
162.05632	9.0
165.00166	48.4
165.43204	4.1
167.01744	33.8
169.02559	26.4
174.05554	4.8
176.01178	23.6
177.00114	5.3
179.04710	19.5
180.01161	4.5
180.99675	89.2
182.00452	36.4
183.01265	27.9
185.02457	4.6
185.05678	5.9
192.99635	6.6
197.05719	4.4
208.04315	8.4
208.99144	84.3
210.08853	16.4
211.00722	29.4
222.02438	5.9
227.20447	4.5
234.02298	22.8
237.05544	11.4
254.07826	38.5
265.05164	13.4
266.05835	11.7
272.08908	100.0
291.04477	5.7
295.06143	4.5
299.03842	27.1
309.05600	21.7
343.02930	33.4
387.01627	20.9
438.09753	8.5
454.09763	5.2
482.08612	12.0
534.10516	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	660.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29743	0.6
59.01387	100.0
71.41129	0.8
73.30011	0.6
139.22955	0.6
141.01724	75.1
142.02086	1.2
148.75941	0.6
279.23349	4.0
327.80869	0.6
345.10895	0.7
413.87299	0.6
504.30725	2.7
531.10449	0.7
624.63678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02451	1.5
58.04384	1.6
59.01386	50.0
62.91164	1.5
69.20400	6.0
69.20799	2.6
70.33567	1.5
71.01396	23.4
73.02934	3.2
83.01380	2.1
85.02963	3.2
87.00880	6.8
89.02454	28.4
95.01379	1.9
101.02462	17.3
113.02463	9.9
115.68169	1.6
119.03482	5.4
131.03458	2.4
143.03513	2.9
146.77681	1.5
156.99112	2.1
161.04544	5.4
179.05618	19.1
186.22737	1.7
199.65862	1.6
221.06664	17.5
259.02151	2.5
280.92950	1.6
305.53140	1.6
319.03455	3.7
323.09811	1.9
341.10815	2.5
390.16885	1.5
447.07855	1.5
448.61618	1.5
500.38013	1.5
503.16235	100.0
504.16660	4.3
541.11829	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	661.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69116	0.2
59.01385	1.8
60.81659	0.2
71.01381	0.5
72.99301	0.7
78.95919	0.3
79.95742	2.9
89.02474	0.5
96.96020	100.0
112.98861	0.4
113.02548	0.3
115.54047	0.3
123.04530	0.5
133.02917	0.6
134.03770	0.4
135.04521	1.9
145.02962	0.3
149.84824	0.3
158.06650	0.3
160.01704	0.7
161.02460	1.1
175.04047	1.1
179.03535	0.7
193.05066	0.3
197.04520	0.5
217.44208	0.2
251.05907	0.4
263.05997	0.6
300.02780	0.5
301.03415	0.3
305.07129	1.0
323.66913	0.3
328.09497	0.2
353.06552	1.1
387.16818	0.5
455.23047	1.2
455.32205	0.3
545.12274	0.6
563.21576	0.8
601.15948	2.7
673.98541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12165	0.4
57.03473	1.7
57.70536	0.3
59.01387	5.1
60.49567	0.4
71.01392	2.7
71.42092	0.5
72.99351	0.4
77.81359	0.3
82.58359	0.4
89.02462	3.0
89.50238	0.4
96.96019	4.7
96.96589	0.3
99.04525	7.0
99.05081	0.6
101.02496	1.4
109.02994	0.7
113.02520	0.9
117.03542	0.4
118.95148	0.4
119.03540	0.8
121.44163	0.3
125.02489	0.6
135.04587	1.2
136.34431	0.4
143.03610	0.6
145.03018	1.6
146.03810	0.6
163.04028	0.9
179.03560	0.7
179.05623	0.4
179.07230	0.4
191.08693	0.6
197.04657	0.4
207.08223	0.7
213.04324	0.4
216.68288	0.4
217.06519	0.4
219.08212	1.0
221.06129	0.8
233.06120	0.6
234.06821	0.4
235.07622	1.9
237.09282	0.7
239.07187	0.6
245.06136	0.9
247.07750	1.0
251.07321	0.6
253.08801	1.9
262.06412	0.9
263.07083	6.2
264.07663	0.6
265.08603	0.8
266.94232	0.4
268.10995	1.1
273.05444	0.6
274.06476	0.5
275.07217	0.9
279.06589	0.6
280.07440	0.7
281.08234	12.8
282.08563	0.6
291.06686	3.7
292.07401	1.9
293.08249	4.1
294.09058	2.3
295.06299	0.4
295.09781	0.7
296.10559	3.3
307.09805	1.2
308.10577	3.9
309.07721	57.5
309.10803	2.1
310.08127	2.8
323.09354	4.3
324.10043	39.9
325.10413	1.8
339.12378	100.0
340.12692	5.8
519.18768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66499	1.1
51.03530	1.0
56.91624	0.9
59.01381	2.2
61.98814	1.1
72.27442	1.1
98.57598	1.1
101.02466	1.2
102.33023	1.1
104.05055	1.7
116.92867	2.5
122.06144	9.4
130.06587	1.2
132.04576	3.6
133.02972	1.6
133.12807	1.2
134.06158	1.9
135.04541	3.9
152.07173	8.7
161.02461	3.7
174.05557	1.6
179.03558	1.7
190.05092	3.6
213.10330	2.5
225.10365	4.1
226.11148	1.2
235.08701	1.3
237.10091	1.5
239.11888	2.9
240.12698	1.3
241.13397	1.5
260.05579	1.2
261.10120	4.2
263.11697	2.3
265.09802	1.2
267.11194	2.2
277.09641	1.8
285.12503	2.1
289.09552	2.1
291.11081	1.8
295.10962	1.8
301.76422	1.2
307.10669	27.6
323.10397	2.4
327.10175	1.8
335.10016	2.2
340.14420	1.3
342.12491	2.8
355.12955	4.8
356.13904	1.6
357.14758	3.6
378.15894	4.0
380.13931	2.4
400.16702	1.4
406.11536	1.9
422.14828	10.1
434.14780	4.3
466.13849	3.3
543.23633	1.3
545.21686	1.8
585.28345	1.5
587.22559	7.7
631.21735	100.0
632.21790	8.3
663.24255	35.9
664.24268	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3765
Annotation	Rubuside J
Peak:m/z	Relative Intensity
59.01392	2.7
60.57706	0.4
60.65496	0.4
71.01382	1.1
72.99338	0.9
75.00873	5.6
89.02492	0.4
97.94164	0.4
101.02438	1.2
129.25139	0.4
133.02960	0.9
134.03809	0.5
135.04520	1.3
150.03366	0.4
154.75229	0.5
159.94025	0.5
161.02444	2.9
219.76239	0.4
339.01532	0.9
365.28482	1.0
381.31567	1.3
405.27570	1.0
409.27475	3.8
421.31226	7.1
422.31223	0.8
425.30524	3.4
437.30548	0.9
439.32281	4.6
440.32498	0.5
455.31750	1.9
457.33240	1.6
465.30463	0.8
483.31134	9.1
484.31412	0.5
501.05368	1.2
501.32269	15.7
502.32425	1.3
525.32745	1.5
543.34088	0.6
663.37585	100.0
664.37854	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	663.391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30333	1.0
81.67158	1.0
105.03457	3.2
119.05105	1.1
132.02194	7.1
133.02986	23.0
134.03760	7.2
135.04521	3.7
149.06149	2.3
160.01677	36.5
161.02423	4.0
169.78511	1.1
175.04036	37.0
177.01935	4.4
179.03456	2.7
193.05099	7.2
216.88655	1.3
439.28448	1.2
491.86334	1.3
645.38080	1.4
663.39063	100.0
664.39331	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	663.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04957	0.7
52.40296	0.7
61.45034	0.7
61.98829	1.9
65.23007	0.8
69.14021	4.3
74.60540	0.8
76.42612	0.7
78.95930	0.9
81.76269	0.7
102.78938	0.7
105.03449	2.1
106.89587	0.7
107.91970	0.8
117.03511	1.2
121.48081	0.7
132.02196	2.3
133.02043	1.5
133.02983	17.8
134.03757	15.1
135.04547	17.5
149.06126	0.9
160.01688	12.1
161.02477	27.8
175.04025	6.6
177.01912	1.0
178.02737	1.2
179.03542	11.6
193.05104	5.5
205.80629	0.9
292.81018	0.8
357.30600	0.8
469.32858	0.8
644.73682	0.9
663.39099	100.0
664.39539	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	663.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79960	2.5
59.01387	100.0
61.98830	9.1
70.02421	2.6
71.01025	4.2
71.01390	51.7
74.96183	5.9
75.71171	2.3
85.02961	10.0
88.98808	2.5
89.02454	59.8
95.01397	3.8
101.02465	30.3
113.02466	24.9
117.85066	2.4
119.03517	30.2
131.03465	2.7
143.03491	6.0
146.94685	5.4
161.04608	5.2
179.03767	2.7
179.05591	13.7
208.22617	2.4
230.57494	2.9
434.39172	2.8
663.41205	76.3
664.41626	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	664.146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	0.7
59.01383	0.7
72.99316	17.0
74.02479	1.2
96.96025	0.6
99.05629	0.7
105.03477	0.9
107.05035	1.1
109.01157	1.0
109.02945	0.6
112.98801	0.5
117.59634	0.4
119.36311	0.4
123.04535	6.3
128.03552	3.5
132.02176	1.3
133.02982	3.8
134.03706	1.2
135.04543	12.3
137.00694	5.5
139.02240	1.5
143.04643	4.6
145.06273	0.4
155.01755	0.7
160.00459	0.5
160.01695	9.2
161.02429	1.6
163.99408	0.8
165.00180	11.3
167.01741	17.5
167.04756	0.5
179.03500	8.7
179.04863	1.0
180.03781	0.5
192.99666	100.0
194.00020	1.5
197.04584	12.9
210.08803	0.7
211.00710	4.7
229.01733	0.7
254.07866	1.6
260.02826	0.4
272.08899	6.6
306.07761	1.8
356.34506	0.4
391.04968	45.1
392.05185	2.4
434.22275	0.4
466.09299	3.3
664.14905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	7.5
59.01364	3.3
70.49333	1.9
71.01369	2.4
72.99317	20.0
74.02479	13.0
81.04582	2.0
81.05079	0.9
82.02971	1.6
86.02493	6.6
86.06099	1.6
87.05656	2.5
89.02435	3.0
93.03463	1.6
96.04538	1.1
96.96007	2.9
97.04074	1.7
97.20140	1.1
98.21899	1.1
99.05130	1.3
99.05667	14.4
101.02467	1.1
101.07195	1.7
102.05587	2.2
107.05021	2.4
109.02959	1.4
109.04033	1.1
109.07702	1.1
112.04034	1.2
121.02995	8.5
123.04588	1.1
125.81775	1.1
128.03558	42.5
133.02977	10.7
134.03734	0.9
135.04524	6.9
135.05621	3.4
139.02280	5.5
139.77319	1.1
143.04643	60.8
145.06210	2.2
146.04626	5.7
151.04018	4.0
153.06708	1.8
155.01743	35.4
161.02470	28.7
166.09865	2.8
167.01749	21.0
167.04666	2.5
179.03397	3.1
179.04712	8.9
181.06099	1.3
184.10883	1.2
185.05693	1.5
188.70201	1.0
192.99605	3.6
193.05006	1.4
210.08832	12.6
211.00722	16.3
228.09775	1.0
229.01775	83.8
230.02003	1.6
247.46709	1.0
254.07855	16.7
272.08902	100.0
273.09241	2.7
305.17554	1.0
341.11011	1.1
373.07019	8.0
383.11902	2.8
391.04987	59.0
392.05396	2.6
403.06772	1.2
445.04099	1.0
484.10294	2.8
502.11432	64.3
535.10474	1.3
664.15063	5.6
665.21832	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	664.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	1.4
59.01388	5.0
68.48416	0.7
70.91992	0.8
71.01390	2.8
72.99315	6.2
74.02480	3.7
84.17524	0.6
86.02487	2.2
87.00872	1.1
89.02460	3.9
90.52504	1.0
99.05668	4.3
101.02443	2.9
107.05022	1.0
107.93343	0.7
109.02980	1.0
113.02465	1.6
116.16170	0.7
117.43153	0.7
121.02987	3.5
123.04562	1.0
125.31233	0.7
128.03552	11.5
133.02962	3.2
134.03761	2.1
135.04538	39.8
139.02240	3.4
139.03308	1.0
143.03555	1.7
143.04643	17.5
145.06169	0.8
146.04630	1.6
151.04034	4.2
155.01730	7.7
161.02475	3.7
161.04475	1.0
166.09853	1.0
167.01730	33.1
168.02083	1.3
179.03490	47.1
180.03807	1.0
192.99663	2.3
210.08856	3.3
211.00731	17.6
224.04745	0.7
229.01768	100.0
230.02089	3.0
236.79704	0.9
254.07841	5.7
257.22537	1.0
272.08911	28.6
306.07578	1.3
341.11035	0.9
364.28711	0.9
373.06842	2.6
383.11688	4.2
391.04956	12.5
426.52490	0.8
485.15613	1.1
502.11456	29.8
571.32709	0.8
664.15198	1.7
665.21179	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	665.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	18.2
57.72321	1.0
59.01387	10.1
59.51208	1.0
61.98839	10.3
69.12804	6.9
71.01392	2.4
72.99317	3.2
73.02983	1.1
79.76004	1.0
80.98661	1.2
87.00874	1.7
88.86285	1.1
89.02466	2.1
96.96020	7.9
99.04535	8.5
101.02470	6.3
102.24509	1.2
109.02947	2.5
116.92902	2.0
117.03481	3.8
119.05053	7.5
121.02984	1.7
123.04553	3.6
125.02489	1.6
133.02960	8.8
134.03772	4.3
135.04546	95.9
136.04927	1.9
145.02980	15.1
149.02481	3.0
150.03210	3.8
150.67690	1.1
151.03995	5.8
161.02470	17.7
161.04596	3.1
161.06093	3.2
163.04028	9.1
165.05598	4.4
165.06860	1.3
173.04645	2.9
177.01976	3.8
177.05627	1.4
179.03519	100.0
180.03915	1.2
191.05595	1.5
195.02966	3.8
195.06625	1.6
205.05067	5.2
213.13513	1.1
235.06171	4.1
265.07172	11.5
281.08344	2.7
307.08176	4.3
309.04144	1.6
309.07709	3.7
311.05679	2.0
324.10138	2.2
325.09631	1.3
339.12314	3.1
353.08829	2.1
432.56738	1.2
441.11963	2.0
454.58707	1.4
487.12604	12.7
503.12033	10.9
503.33661	1.5
521.20563	4.2
563.21411	2.4
621.16113	1.4
665.15204	4.7
665.24463	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	665.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.7
62.02052	0.5
69.50659	2.0
71.01395	1.1
72.99339	0.8
86.99863	0.4
89.03950	1.2
94.96571	0.5
96.96034	2.3
113.02457	0.6
117.03485	4.7
132.02168	1.3
133.02972	15.7
134.03810	2.7
135.04543	100.0
136.04822	2.9
149.06084	1.1
160.01715	1.4
161.02464	62.2
162.02824	1.5
170.42123	0.6
175.04054	0.5
177.05577	2.9
179.03516	15.0
192.99698	2.2
194.00012	0.9
203.03491	1.6
205.01466	1.5
215.24521	0.4
221.04570	1.8
272.03387	0.6
272.08920	0.5
297.09827	1.2
323.07764	12.3
341.08707	2.6
391.05109	0.9
392.05197	1.4
459.13046	23.5
460.13229	1.1
485.10974	27.5
486.11237	2.0
503.13065	2.6
550.02667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2152
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
51.72803	1.6
56.55243	1.7
57.65632	1.4
58.00593	1.7
59.01384	100.0
69.03467	3.5
71.01389	74.6
72.99313	2.4
73.02956	16.4
74.99780	1.6
83.01382	2.8
85.02957	19.2
87.00886	23.5
89.02452	80.2
95.01378	5.8
97.02936	3.3
99.00894	3.3
101.02450	63.2
110.89915	2.1
113.02465	34.9
119.03482	17.2
125.02448	7.5
131.03481	4.9
135.04506	2.5
141.01984	2.4
143.03511	15.6
161.04555	15.9
179.05620	61.0
203.05615	6.4
221.06674	24.8
235.08263	2.5
263.07880	2.6
273.10104	1.5
281.08865	4.4
323.10025	8.2
323.13132	1.6
341.10901	40.2
383.11960	94.0
384.12238	2.3
425.12860	3.0
443.14078	17.7
446.38873	1.8
485.15250	25.0
503.16144	2.2
558.95538	1.9
665.21533	71.1
666.21606	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	665.2152
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
59.01385	95.5
60.42662	1.5
69.87526	2.8
69.87891	3.3
71.01385	63.7
72.99318	2.6
73.02947	12.9
81.03440	2.8
83.01389	3.0
85.02972	12.3
87.00884	20.5
89.02453	82.6
94.73123	1.6
95.01378	3.0
97.02962	3.7
97.80190	1.4
99.00919	1.5
101.02456	68.8
109.02852	1.4
111.00928	2.0
113.02461	34.7
119.03505	12.8
125.02460	10.8
131.03516	5.5
141.01968	1.6
143.03525	15.8
149.04474	1.6
161.04570	13.0
179.05627	60.5
203.05643	4.3
213.88678	1.4
221.06676	21.5
241.44673	1.5
263.07782	2.3
281.08713	3.8
288.18799	1.8
303.36493	1.4
323.09839	4.3
341.10916	33.3
342.11230	1.6
383.11969	100.0
384.12051	3.3
413.12991	2.3
425.13351	2.7
443.14001	15.7
443.22571	1.6
485.15158	27.3
503.16629	2.7
665.21539	74.3
666.21454	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	665.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48450	0.3
55.14270	0.3
57.85443	0.3
59.01389	0.8
61.97141	0.3
64.86760	0.3
69.33677	1.1
69.34090	0.5
70.86124	0.3
71.01379	1.7
73.02943	0.4
83.01395	0.4
85.02979	0.7
87.00870	0.3
88.98808	0.4
89.03970	0.4
93.03463	0.6
95.01385	0.4
96.96024	1.3
97.11779	0.3
101.02463	0.9
108.02171	0.4
109.02976	1.0
113.02500	0.7
117.03481	31.6
118.03771	0.5
119.05038	14.3
121.02976	0.9
122.03739	0.4
131.05072	0.4
133.02963	0.4
133.06601	0.5
134.03723	0.3
135.04539	1.1
136.01677	17.1
137.02460	1.4
138.05452	0.3
145.02971	100.0
146.03268	2.2
147.04520	0.5
150.23738	0.3
151.04025	15.6
152.04391	0.4
152.90813	0.3
156.05751	0.3
159.04527	1.0
160.05281	0.6
161.02455	1.1
161.06107	1.2
163.04033	11.8
171.04503	0.3
173.04504	0.3
173.06210	0.3
175.04044	1.5
176.04810	1.3
177.05499	0.4
179.03564	0.9
181.05116	0.4
187.04042	1.0
189.05531	0.6
190.06299	0.4
191.07152	1.2
191.68407	0.3
197.08743	0.3
205.05052	0.8
247.06204	0.7
263.39963	0.3
270.89493	0.3
279.06628	0.5
280.07364	0.3
294.09146	0.4
297.07504	0.4
307.08273	49.3
308.08624	1.9
312.10056	0.5
313.10770	1.4
327.12469	3.0
342.11139	0.6
343.11893	12.5
344.12091	0.4
357.13425	2.9
502.32712	0.9
503.33752	1.3
519.15247	0.6
635.21405	1.2
665.22437	26.4
666.22510	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	665.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.1
69.68185	1.8
71.01374	2.2
89.02447	2.2
99.04529	15.9
101.02479	0.8
113.02460	0.9
119.03510	0.9
125.02477	0.8
135.04539	0.6
145.02969	1.7
179.03555	0.5
224.04805	1.4
227.10838	0.7
238.06337	0.9
239.10799	0.9
252.04272	0.7
254.09471	0.6
255.10323	3.5
266.05917	1.2
269.11859	2.0
270.12643	1.8
279.16672	0.5
283.09775	17.8
294.09073	1.8
295.09805	2.3
296.10550	2.0
297.11261	0.7
298.12082	2.7
309.11151	1.1
310.08673	0.6
310.12112	1.3
311.09286	48.6
311.12497	1.6
312.09509	2.7
325.10861	2.4
326.11609	46.0
327.11975	2.3
341.13943	100.0
342.14288	5.1
359.33942	0.5
376.76315	0.5
387.98416	0.5
475.70279	0.5
597.53821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.2
67.54939	0.3
71.01389	7.5
71.41871	0.5
72.30663	0.3
72.99310	0.8
73.02957	1.2
77.04431	0.3
79.52860	0.3
81.03471	1.1
83.01383	0.4
85.02971	1.6
87.00883	1.7
89.02452	6.9
95.01353	0.4
96.96020	2.0
97.02990	0.3
99.04530	25.1
101.02455	5.5
106.32114	0.4
108.78413	0.3
109.02952	1.2
113.02473	2.9
119.03503	1.9
119.63842	0.3
121.02975	1.9
125.02464	0.9
131.03552	0.6
133.02972	0.4
135.04549	1.5
143.03543	1.0
145.02992	1.8
159.04500	1.6
161.02451	0.4
161.04591	1.2
179.03476	0.7
179.05615	4.0
179.07007	0.6
197.04570	0.4
203.05611	0.7
210.06874	0.4
221.06670	1.5
222.06825	0.5
223.07814	0.4
224.04750	2.0
227.10799	0.5
235.07674	0.5
236.08455	0.4
237.05655	0.6
238.06383	0.9
238.10027	0.3
239.10757	1.3
240.04341	0.8
241.08755	1.4
251.07144	0.9
252.04198	0.5
253.04951	0.3
253.08748	1.9
255.10281	3.7
263.07199	1.3
264.07730	0.4
264.27405	0.3
265.05103	0.9
265.08655	1.6
266.05954	1.8
266.08987	0.4
267.10291	0.6
269.08295	1.7
269.11908	1.2
270.12558	1.2
271.09998	0.4
280.07431	0.6
281.08200	8.0
282.08875	0.9
283.09778	18.8
284.10184	1.0
293.05109	0.6
293.08093	2.0
294.09045	1.3
295.06494	0.7
295.09662	2.9
296.10593	3.2
297.11304	1.5
298.12109	3.1
299.09259	1.0
309.11356	1.0
310.08466	0.8
310.12125	2.0
311.09283	49.3
312.09515	2.5
314.11618	2.1
321.04022	0.7
325.10818	4.2
326.11618	41.6
327.11972	2.6
329.13931	8.7
330.14383	0.4
339.04922	0.5
339.12402	0.5
340.12997	0.7
341.13965	100.0
342.14304	6.0
363.80469	0.4
365.13852	0.9
381.13281	2.4
383.11948	5.8
393.13419	6.6
394.13544	0.5
396.15839	8.1
408.15799	4.8
411.18146	31.8
412.18530	1.8
423.18195	19.3
424.18469	1.7
443.14166	1.1
485.15186	1.3
665.21667	4.3
666.21582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58102	0.6
54.54116	0.7
57.03455	100.0
58.03793	1.0
59.01385	45.2
63.29610	0.6
71.01385	6.0
72.99334	1.4
73.02972	1.5
77.98540	0.7
81.03500	1.0
85.02984	1.3
87.00912	2.2
89.02456	7.3
89.02868	0.7
93.03522	1.0
94.98110	0.8
96.96025	13.7
96.96613	0.9
98.21868	2.5
99.04530	32.1
101.02457	35.7
109.02977	1.1
112.60308	0.7
113.02519	2.4
119.03539	1.2
122.03772	1.4
125.02474	2.9
135.04538	2.2
136.01704	1.1
143.03569	2.1
149.02512	3.3
150.03247	10.0
161.02525	1.8
161.04590	16.1
162.03285	3.0
163.04015	1.1
165.05592	15.9
166.06177	0.8
177.05647	3.1
179.03519	1.3
179.05649	4.8
185.02533	0.8
195.06676	10.1
195.08290	1.0
197.04602	1.2
208.07399	1.3
221.06720	2.2
223.09824	2.2
237.07684	9.7
263.13028	1.6
277.11057	2.4
295.06046	0.8
299.06909	0.8
321.04285	0.8
325.05124	0.7
329.14087	1.4
339.05325	0.9
341.11066	2.6
371.15002	1.2
377.16162	1.7
383.12097	6.8
411.18576	1.9
419.17245	4.0
443.14063	1.3
459.20532	2.6
461.18613	2.4
485.16006	1.1
489.64282	0.8
501.21704	2.4
503.19705	1.0
521.20270	20.4
521.27240	1.3
522.21338	1.0
563.21417	6.1
572.20178	0.9
603.25049	2.3
654.69708	0.7
656.33264	0.9
665.24280	19.3
666.24982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84996	1.2
59.01388	43.1
63.99172	1.3
69.03466	1.3
71.01383	18.8
72.99329	2.9
73.02958	39.3
83.01393	9.3
85.02964	7.6
87.00907	3.3
89.02445	11.1
96.96030	2.1
97.02997	2.2
101.02455	32.2
109.02975	1.9
113.02454	8.8
119.03545	3.8
125.02492	2.5
127.15033	1.6
131.03554	1.8
133.03050	1.5
135.04562	5.0
143.03545	4.2
149.04622	2.8
161.02499	3.2
161.04552	7.2
179.03589	2.7
179.05586	7.0
193.90405	1.5
203.05736	1.7
212.12144	3.2
221.06708	2.8
225.16451	1.5
240.11572	11.2
240.38052	1.4
241.16051	4.0
253.12451	5.8
262.54178	1.5
265.12375	3.0
267.14029	2.5
268.14700	5.2
269.15500	37.4
270.19165	1.3
271.05908	2.7
280.14771	7.8
281.15491	23.2
283.13589	4.5
297.15060	2.0
298.15759	50.3
299.16562	81.4
300.16989	3.5
321.04483	1.6
341.10965	5.4
361.14890	1.6
383.11996	9.4
443.20773	3.9
461.22089	3.9
485.15323	1.8
485.52966	1.4
515.26740	1.5
588.47650	1.5
647.66742	1.5
665.28528	100.0
666.28967	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	665.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54839	1.4
59.01385	81.2
61.77168	1.5
67.80930	1.3
69.88100	3.7
70.36929	1.3
71.01390	40.9
72.99324	3.7
73.02961	3.5
76.92597	1.5
79.05612	1.6
79.23696	1.8
83.01411	2.5
85.02965	9.3
85.11889	1.8
87.00382	1.5
87.00891	4.8
89.02456	41.5
90.02738	1.6
95.01397	2.1
96.96032	2.4
101.02457	28.1
109.02979	2.6
112.67387	1.4
113.02463	13.0
119.03526	20.9
123.39255	1.6
125.02481	2.2
131.03546	3.4
133.03033	1.8
135.04536	2.5
143.03534	3.6
149.04611	2.5
150.44910	1.4
161.04576	4.8
165.01749	1.6
179.03442	2.3
179.05634	14.1
186.22798	1.9
195.98737	1.7
212.12094	2.8
225.16614	3.1
240.11565	13.4
241.16083	3.9
253.12437	6.6
254.13066	2.4
265.12479	1.9
267.13947	3.3
268.14719	5.4
269.15503	48.0
269.18405	2.9
280.14871	5.0
281.15488	26.4
283.13498	5.8
297.15195	4.3
298.15759	54.7
299.16556	97.6
300.16980	4.3
341.11029	5.4
383.12012	13.9
443.14328	1.5
471.70233	1.6
485.14856	2.9
503.22989	7.0
605.26794	2.2
665.28577	100.0
666.29230	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	665.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
59.01382	8.8
63.23640	1.0
66.03475	1.3
71.01402	6.5
72.00921	1.9
72.99290	1.2
73.02924	1.5
74.02474	2.0
82.06631	3.0
87.00881	3.2
89.02450	7.8
93.03458	3.1
96.96031	2.9
101.02460	5.8
107.05067	1.4
109.02930	1.3
112.07689	3.8
113.02429	3.4
113.04901	0.9
116.05055	4.5
118.06645	6.7
119.03523	1.9
119.05035	10.6
125.02466	1.0
127.08797	1.4
129.10355	22.4
130.08751	14.5
133.02957	2.1
133.05287	1.9
134.06131	5.5
135.04544	2.8
136.07616	1.6
139.08754	2.9
143.03529	1.3
143.11877	1.5
151.08757	1.9
153.10353	1.0
155.08281	13.5
161.02419	1.7
161.04559	1.5
162.05664	1.4
163.04013	5.4
169.09814	1.4
179.05627	4.6
180.06700	18.8
187.05125	4.9
187.10811	1.9
189.06732	2.3
197.04533	1.6
213.14041	5.0
221.06601	1.7
225.16109	2.8
226.14493	1.1
231.14989	4.2
243.17075	1.2
249.16104	8.7
256.14493	2.2
257.12991	8.1
259.14630	1.3
275.14142	2.7
293.15060	10.2
309.19650	2.4
321.03998	2.6
339.05130	1.3
341.10690	3.0
352.20306	2.7
357.24078	1.7
370.21213	1.3
377.18454	1.3
383.11929	8.4
394.21378	1.6
421.17545	3.5
438.20267	2.8
440.29709	1.5
443.13837	1.9
484.28192	1.5
484.95459	1.1
485.15192	2.0
623.64441	1.2
647.34833	2.0
665.22278	6.0
665.35590	100.0
666.35913	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	665.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78572	1.0
56.23782	0.9
57.03457	1.1
59.01388	8.5
63.43958	1.0
66.97694	1.0
69.12740	3.2
69.13158	3.4
70.45837	1.0
71.01385	5.1
72.00912	2.2
72.99316	3.0
82.06647	2.1
85.02940	1.1
87.00404	0.9
87.00890	3.8
89.02448	8.0
93.03457	2.7
96.96007	9.0
98.21841	1.9
101.02465	7.4
107.56456	0.9
108.93240	1.0
109.02991	2.3
110.06121	2.2
112.07690	6.8
113.02457	2.2
116.05064	3.9
117.03487	1.2
118.06638	5.0
119.03439	1.6
119.05020	9.3
119.17876	1.0
123.04549	1.7
128.07220	0.9
129.10344	17.9
130.07883	1.7
130.08760	15.9
133.02919	1.1
133.05392	1.0
134.06120	4.3
135.04536	5.3
136.07684	1.6
139.08766	3.7
143.11913	1.3
155.08290	13.3
161.02455	2.9
162.05623	1.6
163.04059	5.6
169.09827	2.6
179.03522	2.1
179.05597	5.7
180.06682	16.7
187.05125	4.7
187.10869	1.1
197.04549	2.3
207.15080	1.1
213.13937	5.0
221.06657	2.4
225.16106	4.6
231.15080	3.4
241.13390	1.2
249.16087	9.7
256.14594	2.9
256.47290	1.1
257.13049	7.6
271.05914	1.6
275.14111	2.1
293.04633	1.3
293.15076	11.5
295.06396	1.2
309.19635	2.5
321.04092	1.8
341.10721	2.9
352.20142	2.2
361.14844	2.0
377.18793	2.5
383.12109	8.2
421.17685	5.2
431.91238	1.2
438.20111	2.8
443.14249	2.1
485.15076	2.4
551.28650	2.4
561.17371	1.2
616.10278	1.2
647.34583	3.4
665.22443	5.6
665.35602	100.0
666.36108	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	666.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.3
71.01382	9.9
71.41937	3.0
89.02446	6.8
95.01336	2.9
101.02443	6.7
109.77422	2.8
110.31912	2.8
111.08132	2.9
113.02483	5.9
128.93564	2.7
196.89719	3.0
235.08221	9.5
263.16669	4.1
343.26364	4.1
351.23111	3.4
359.25879	5.0
369.24298	8.2
387.25531	34.4
401.07858	3.1
405.26498	24.4
623.34418	100.0
624.34448	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	667.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95182	0.4
58.47067	0.4
58.73610	0.4
59.01372	0.4
59.64347	0.4
68.24244	0.4
71.01393	0.8
72.99317	50.9
90.77058	0.4
96.96015	1.7
98.21786	1.0
100.02120	0.4
105.03426	0.5
107.05026	1.0
109.02951	1.7
116.52970	0.4
116.92896	4.4
117.03497	7.4
119.05050	5.4
121.02989	0.5
123.04539	18.1
132.02182	1.3
133.02977	22.0
134.03835	2.6
135.04543	52.2
136.04892	1.3
139.15790	0.4
145.02971	38.2
146.03343	0.9
151.04025	1.8
161.02463	64.4
162.02788	1.5
163.04063	5.4
175.04076	0.6
179.03517	48.5
180.03850	1.3
182.91380	0.5
187.03941	0.5
197.04570	60.5
198.04926	1.4
205.05083	0.7
229.61540	0.5
267.06683	0.9
307.08258	13.6
308.08517	0.5
341.08844	1.1
359.07742	6.2
360.07886	0.5
433.79388	0.4
469.11169	4.6
487.12589	1.7
505.13571	100.0
506.13885	6.8
521.12915	4.1
532.87274	0.5
667.16650	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	667.169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39082	0.2
59.01377	0.2
61.04076	0.2
71.42915	0.3
72.99316	6.8
73.80959	0.2
89.02456	0.3
89.04038	0.3
91.05540	0.4
93.03443	0.2
96.96017	0.4
99.04552	0.7
100.04878	0.2
106.04264	0.3
107.05064	1.9
108.02238	0.2
109.02979	0.9
114.00600	0.2
117.03474	2.1
119.05032	1.0
123.04530	2.9
132.02213	0.5
133.02972	12.7
134.03775	5.6
135.04541	100.0
136.04869	2.2
137.02460	0.2
142.37729	0.2
145.02983	3.8
151.04048	0.4
161.02461	63.5
162.02806	2.0
163.04047	0.8
175.04024	0.2
179.03513	82.4
180.03839	2.1
197.04567	8.6
197.08830	0.2
200.44200	0.2
223.02428	0.3
263.53754	0.2
268.83752	0.3
293.04813	0.2
297.07663	0.3
307.08270	2.0
311.05783	0.3
311.09241	1.0
312.09521	1.0
313.09818	0.4
315.08661	0.2
323.07547	0.2
326.11526	0.7
327.11887	1.1
328.12247	0.7
341.08835	0.6
341.13815	1.7
342.14346	2.4
343.14490	1.8
359.07742	21.5
360.08014	1.0
469.11221	0.3
487.12503	13.3
488.13144	1.0
503.12292	0.2
503.33780	0.2
504.33746	0.3
521.12488	0.5
667.16504	8.7
668.17023	1.3
685.32611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88832	0.2
56.22588	0.2
58.74457	0.2
59.01382	0.3
69.48386	1.0
71.01395	0.3
71.67065	0.2
72.93095	0.2
72.99319	8.4
77.20101	0.2
89.03974	0.2
91.05554	0.3
93.03439	0.4
99.04493	0.3
105.03521	0.3
106.04270	0.3
107.05074	1.8
109.02965	0.6
117.03480	2.3
119.05038	1.4
121.03030	0.2
123.04539	2.7
132.02229	0.6
133.02979	9.9
134.03778	5.5
135.04543	100.0
136.04858	2.0
145.02968	9.0
146.03343	0.3
151.04016	0.4
154.17621	0.3
161.02463	53.8
162.02834	1.4
163.03999	1.3
179.03522	58.0
180.03847	1.6
197.04588	10.9
197.06406	0.5
198.04964	0.5
219.79869	0.2
307.04819	0.2
307.08295	4.6
315.08774	0.3
327.12277	0.3
341.08731	1.2
341.13757	0.4
342.14108	0.4
343.14386	0.4
359.07727	24.0
360.08017	1.1
380.25970	0.3
411.18243	0.4
412.18582	0.4
413.18695	0.6
423.18002	0.3
424.18430	0.3
425.18814	0.5
469.11484	0.7
487.12506	15.9
488.12830	0.9
505.13562	9.5
505.21069	0.4
506.13657	0.6
521.12988	4.0
642.15277	0.3
667.16736	8.7
668.16638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93129	0.2
59.01365	0.3
69.47507	1.2
71.01366	0.5
72.98902	0.4
72.99319	7.7
85.02954	0.3
91.05544	0.3
93.03461	0.3
93.68109	0.2
96.96030	0.6
105.03484	0.5
107.05048	0.5
109.02962	0.6
117.03488	2.6
119.05045	3.4
123.04544	3.3
132.02200	1.9
133.02974	20.5
133.24278	0.3
134.03828	1.6
135.04541	27.3
136.04878	0.8
145.02975	12.9
146.03346	0.6
159.72366	0.2
160.01671	1.8
161.02463	100.0
162.02808	2.2
163.04047	3.6
175.04193	0.3
179.03510	12.9
180.03821	0.4
189.00168	0.2
197.02817	0.5
197.04579	7.5
305.06705	0.3
307.08240	5.6
308.08505	0.3
323.07782	1.9
341.08765	0.3
359.07751	17.8
360.08075	0.8
363.89160	0.3
443.13602	2.3
469.11429	34.6
470.11697	2.8
487.12451	0.6
521.12976	0.8
596.19812	0.3
667.16870	1.6
689.48315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02240	2.5
59.01397	3.9
67.91328	2.3
69.89317	6.0
98.22001	3.7
133.02950	13.9
134.03757	9.5
135.04543	86.0
136.04886	2.8
137.02473	2.9
147.00896	2.7
148.01685	4.5
161.02515	5.8
164.98445	2.8
177.02019	12.6
179.03532	59.7
207.03000	5.4
239.10747	5.0
267.10333	4.4
318.39731	2.4
321.03699	2.6
339.10135	3.5
341.11914	3.1
381.11362	3.5
383.12857	5.6
399.12091	3.3
401.09933	2.7
411.11716	3.1
415.15387	4.2
417.13501	3.6
427.11722	3.2
443.15253	6.1
457.13046	7.0
459.14413	3.5
469.13135	10.5
471.14633	18.9
487.14066	100.0
488.14389	5.5
505.15204	31.4
597.83258	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	667.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.9
71.40103	1.3
89.02471	1.2
92.92792	1.5
101.41549	1.4
102.66087	1.3
106.12665	1.2
134.03755	4.9
135.04538	45.6
148.01704	5.9
149.02454	2.0
179.03520	43.7
180.03839	1.9
185.41963	1.2
207.03000	6.8
267.13809	1.8
293.04636	1.6
319.13318	1.7
367.13168	1.4
383.16626	2.4
385.14417	4.1
427.15811	2.0
428.16647	1.5
429.09357	1.5
444.12103	4.6
455.15128	9.9
459.18192	3.8
487.17694	100.0
487.33704	2.8
488.18002	8.7
505.18982	9.7
690.27252	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40753	0.6
54.13497	0.7
58.96895	0.7
59.01390	3.9
70.05486	2.1
70.87926	0.7
71.01369	1.9
81.03465	16.2
89.02451	1.3
99.04531	28.7
108.02204	0.9
109.02948	3.8
121.02958	10.0
122.03757	8.4
123.04530	2.2
125.02446	2.6
126.78543	0.8
135.04541	2.2
136.05305	2.5
145.84441	0.7
147.04530	4.5
149.06047	1.4
149.94919	0.7
153.10652	0.7
160.05275	1.4
161.02419	1.0
161.06081	4.5
162.06845	3.0
165.05602	13.7
173.06087	1.7
175.07640	1.8
176.08411	2.1
178.06285	0.7
179.07132	4.0
189.54707	0.7
191.07213	1.4
197.04564	0.8
212.63664	0.8
223.09818	0.8
247.03922	0.8
297.11401	0.7
298.12155	3.5
313.14542	8.7
315.12463	1.2
321.04126	1.1
328.13208	5.5
339.05048	0.8
343.15497	16.8
344.15955	0.9
346.14221	7.6
361.16586	69.2
362.16931	3.2
443.20792	100.0
444.21170	7.9
493.70264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01123	0.8
68.58264	0.8
72.99309	1.3
81.03469	1.2
81.96899	0.8
83.70426	0.8
93.03444	1.1
98.22717	1.8
105.03412	1.1
108.02178	2.2
109.02965	58.6
109.93701	1.0
110.03251	1.2
121.02934	2.6
123.04555	7.7
123.76915	0.8
133.02977	2.3
135.04500	2.8
145.02965	2.9
147.04518	3.4
149.02477	4.5
150.03197	3.0
151.03999	8.0
157.02956	2.9
158.03749	0.9
159.04520	4.0
160.01663	1.7
161.02429	1.8
173.02443	6.6
175.04004	2.6
177.01929	1.5
179.03461	1.8
179.05025	0.9
184.01649	1.7
185.02452	43.9
186.03224	8.6
193.06532	4.2
197.06085	1.0
201.01767	1.2
204.05817	1.0
208.05345	1.4
209.06110	3.8
213.01921	1.8
214.02609	1.0
219.04523	1.8
220.05309	4.3
221.06105	11.6
223.04008	2.4
223.07663	1.5
224.04776	2.6
225.05606	5.5
232.05309	3.0
235.04062	2.0
236.04749	1.7
237.05644	6.4
238.06303	1.4
239.07112	2.8
247.04028	3.2
248.04823	8.2
249.05589	19.4
250.02672	1.2
250.06187	2.0
251.03545	6.9
251.07100	2.0
252.04272	3.3
253.05046	1.5
260.04742	1.0
263.03452	2.6
263.06790	0.9
264.04242	2.3
265.05072	13.6
266.05734	2.8
267.06662	13.1
269.04688	1.3
269.08093	1.5
275.03528	3.3
276.04324	4.8
277.05060	22.9
278.05652	1.7
279.03015	23.6
280.03754	9.4
281.04459	1.5
291.02884	1.4
292.03677	2.8
293.04639	35.5
293.08084	4.7
294.05032	2.9
295.06149	46.0
296.06500	3.0
303.03043	4.0
307.06082	2.1
319.02350	3.8
319.06152	3.1
321.04062	100.0
322.04453	3.2
337.07175	1.0
339.05115	71.5
340.05453	3.7
351.05130	3.3
403.11823	3.0
429.09879	3.5
447.10797	7.5
448.11386	1.1
471.07211	1.2
473.08789	45.6
474.09100	2.4
489.08527	1.2
517.07904	5.2
518.08209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70186	0.4
64.50992	0.4
70.47919	0.9
72.99315	4.1
93.03483	0.7
99.79574	0.4
106.43301	0.4
108.02192	0.8
109.02959	32.3
115.05547	0.5
121.02953	1.7
123.04521	2.7
123.54759	0.4
135.04526	5.7
141.03471	0.9
145.02979	1.3
147.04539	1.2
149.02458	6.2
150.03220	2.1
151.04002	1.1
157.02983	1.0
158.03712	0.6
159.04512	1.5
161.02467	0.8
173.02454	2.1
174.03235	0.6
175.04063	0.7
179.03519	3.9
185.02448	21.9
186.03229	5.9
191.03520	1.1
193.06616	0.9
195.04553	0.6
197.04546	6.3
197.06157	0.8
201.01930	0.7
205.06596	0.6
209.06087	1.8
213.01970	1.3
213.05476	0.5
219.04404	0.6
220.05328	0.7
221.06093	3.7
223.03941	0.8
224.04816	1.3
225.05585	3.5
232.05345	0.5
233.06128	0.5
237.05646	2.2
238.06097	0.5
239.07104	2.2
247.03978	0.6
248.04773	1.6
249.05573	7.4
250.06294	1.1
251.03537	3.1
251.06981	0.7
252.04349	2.6
253.05132	0.9
260.04727	0.5
263.03421	0.6
265.05078	3.5
266.05798	1.4
267.06628	5.5
269.08191	0.6
275.03534	0.6
276.04254	2.1
277.05060	11.4
279.03009	15.6
280.03708	6.3
292.03690	0.8
293.04602	9.8
294.05109	0.9
295.06116	20.0
296.06409	0.9
302.22083	1.0
304.03900	0.5
319.02643	0.8
320.03357	0.5
321.04059	39.7
322.04547	3.4
329.06595	2.2
339.05103	100.0
340.05374	4.4
442.02747	0.5
447.10788	0.5
471.07236	3.7
472.07867	1.0
473.08786	2.6
519.09631	0.9
669.12317	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	669.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18810	0.4
54.36775	0.4
55.92519	0.4
56.60392	0.4
61.69952	0.4
65.43827	0.5
72.99306	3.9
87.32134	0.4
108.02196	0.8
109.02962	33.4
121.02971	1.4
123.04546	2.4
135.04538	4.8
143.72717	0.5
145.02971	1.4
147.04550	0.8
149.02444	4.8
150.03252	2.4
151.04066	0.6
151.31195	0.5
157.02962	0.7
159.04485	1.1
173.02412	1.3
179.03484	3.1
185.02446	22.6
186.03220	6.2
191.03502	0.8
193.06578	1.2
195.91858	0.5
197.04539	4.5
197.06128	0.7
201.01840	0.6
209.06105	1.9
211.07574	0.5
213.01974	0.7
213.05475	0.5
220.05299	0.6
221.06102	2.9
224.04837	1.3
225.05595	4.0
225.43324	0.6
232.05254	0.6
237.05571	1.1
239.07098	1.7
247.04117	0.8
248.04787	1.5
249.05621	7.0
250.06300	0.6
251.03523	2.3
251.06950	0.7
252.04282	2.6
265.05057	2.5
266.05920	1.3
267.06683	5.2
269.08456	0.6
276.04294	1.6
277.05020	12.2
278.05740	0.9
279.02994	14.4
279.05942	1.0
280.03790	5.6
292.04034	0.7
293.04565	8.4
294.05209	0.9
295.06125	23.4
296.06427	1.1
299.95099	0.5
303.03140	1.1
320.03308	0.7
321.04044	34.4
322.04660	1.6
329.06641	1.4
339.05106	100.0
340.05637	2.4
349.03256	0.5
471.07281	2.8
473.08917	2.1
519.09698	0.7
669.12146	1.7
689.02808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96273	0.6
63.73199	0.6
68.46954	0.5
70.53564	1.0
72.99320	4.4
74.69833	0.5
79.42584	0.5
91.65028	0.5
94.37310	0.5
108.02172	1.1
109.02966	31.2
121.02995	1.4
123.04538	3.0
135.04552	5.7
145.03001	1.0
147.04523	1.5
149.02458	5.6
150.03235	2.3
151.04028	1.5
157.02945	1.6
158.03664	0.7
159.04536	2.1
161.02472	1.2
173.02481	1.0
174.03235	1.0
179.03510	4.4
185.02463	19.3
186.03246	6.4
191.03468	1.7
197.04582	6.1
197.06137	0.7
209.06142	1.8
213.02007	0.7
219.04594	0.9
220.05309	1.1
221.06122	2.5
223.04039	1.0
224.04845	0.7
225.05617	2.9
237.05621	0.9
239.07162	2.5
247.03992	0.7
248.04796	1.1
249.05569	6.2
250.06523	0.6
251.03572	2.9
251.06943	0.7
252.04309	2.7
253.05080	0.8
265.04984	2.6
266.05862	0.9
267.06604	5.1
269.08105	0.6
276.04279	1.6
277.05060	9.2
278.05649	1.0
279.02997	13.1
280.03790	6.0
293.04584	7.9
294.05194	1.5
295.06140	21.9
296.06564	1.3
303.02841	0.6
321.04074	32.1
322.04529	2.9
329.06836	1.5
339.05112	100.0
340.05508	4.5
383.60641	0.6
427.08298	0.7
430.11807	0.7
445.09235	1.1
471.07285	4.0
472.08051	0.8
473.08911	2.7
475.10165	0.9
519.09552	0.8
669.12695	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	669.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48421	0.7
67.24665	0.7
71.29855	0.7
72.99319	5.1
98.21812	1.5
108.02174	1.7
109.02961	47.7
115.05501	0.7
121.02952	2.2
122.03751	0.9
123.04525	4.6
135.04518	8.0
145.02989	1.8
147.04523	1.9
149.02452	6.5
150.03265	4.2
150.61943	0.7
151.04008	3.0
157.02962	2.4
158.03787	1.1
159.04527	2.8
161.02505	1.1
164.72298	0.8
173.02448	3.1
175.04063	1.3
179.03461	4.1
180.38013	0.8
184.01796	1.1
185.02449	30.0
186.03221	10.1
187.03873	0.8
191.03531	1.4
193.06584	3.1
197.04590	4.2
197.06120	1.1
204.05643	0.8
209.06094	2.0
213.01933	1.9
219.04642	0.9
220.05354	1.9
221.06067	5.2
223.04051	1.2
224.04788	1.7
225.05594	4.3
232.05351	1.0
236.04887	0.9
237.05579	2.6
239.07155	3.1
247.03973	1.7
248.04726	3.4
249.05623	11.5
250.02711	1.1
250.06326	2.3
251.03345	5.0
251.07239	1.2
252.04279	4.4
253.05014	1.5
263.03342	0.9
265.05057	6.6
266.05762	2.4
267.06635	7.8
269.08173	1.3
275.03522	2.0
276.04230	2.6
277.05066	19.7
278.02219	0.8
278.05695	1.7
279.03021	19.8
280.03714	8.8
293.04575	16.5
294.05145	2.1
294.24570	0.7
295.06125	32.6
296.06516	1.6
303.02808	1.7
311.05615	1.6
319.02567	0.9
321.04050	68.8
322.04535	3.9
339.05096	100.0
340.05450	5.3
374.64990	1.0
471.07120	4.2
473.08667	7.1
513.00201	0.7
517.07953	0.8
519.09308	10.9
520.09491	1.1
534.89197	0.8
669.12738	1.9
693.12207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01607	0.3
59.01386	0.9
70.96006	0.5
72.99312	7.6
75.59274	0.3
85.02950	0.4
89.04021	0.4
91.05497	0.4
96.96046	0.7
98.21960	0.3
105.03470	1.1
107.05048	1.3
109.02964	0.8
116.92870	0.5
117.03477	0.6
123.04528	2.6
126.58997	0.3
132.02220	0.4
133.02974	15.6
134.03769	4.9
135.04541	100.0
136.04881	1.4
146.13080	0.4
147.00917	0.5
150.95044	0.3
151.04050	0.6
151.36504	0.3
159.04561	0.4
161.02463	55.9
162.02846	1.1
177.01923	2.0
178.02643	0.4
179.03516	60.9
180.03859	1.7
181.06534	0.3
192.17004	0.3
193.06531	0.7
197.04558	10.0
209.05994	0.5
223.02588	0.4
237.05589	1.5
295.06158	0.3
309.04080	2.1
311.05569	0.6
313.07355	0.5
327.05026	3.3
357.06342	0.8
359.07767	33.6
360.08002	1.3
489.08286	2.7
491.09836	1.8
505.23422	0.4
507.09341	0.7
590.09180	0.3
669.12762	2.0
688.47968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
59.01390	8.8
69.22132	6.9
71.01395	3.4
77.03992	1.4
81.03481	4.4
89.02457	2.9
93.42731	1.1
95.01402	1.7
97.02966	3.3
101.02448	2.6
105.03486	1.8
108.02206	3.8
109.02972	37.4
113.02433	1.5
119.05053	4.5
120.05354	1.6
121.02997	7.3
123.04518	1.8
125.02462	18.9
133.02975	3.1
135.00916	4.7
135.04523	3.4
137.02457	16.4
138.03212	1.5
148.01714	2.7
149.02455	28.5
151.04111	1.2
161.02487	8.3
163.00346	7.6
163.03986	6.5
164.01212	8.0
164.04407	1.3
165.01939	28.6
166.02748	9.7
167.03534	25.2
173.02492	2.1
174.03339	1.3
175.04002	10.0
176.01190	5.7
177.01985	6.2
179.03477	3.0
183.04643	1.2
185.02220	6.5
189.05630	1.5
190.02705	2.2
190.99893	25.7
191.03508	7.0
192.00658	13.6
193.01431	81.9
195.04572	3.2
198.03233	1.8
199.04045	11.2
201.01953	2.7
203.03470	1.4
207.03157	1.3
211.04025	3.0
212.04727	1.6
213.05595	2.5
215.03368	1.3
217.01437	1.7
217.05136	6.3
223.04059	8.7
223.68161	1.1
227.03496	1.4
228.04211	2.2
239.03577	4.2
240.04251	3.6
241.05026	14.7
241.07022	1.3
243.03015	3.8
255.02919	1.7
256.03769	1.4
257.04596	3.8
267.03003	100.0
268.03391	3.9
284.03287	16.1
285.04080	52.8
286.04404	1.3
303.05185	15.3
304.05377	1.4
309.04117	8.2
313.07056	1.3
329.08826	12.0
336.04941	3.3
337.05606	4.0
339.07300	8.3
353.08820	1.2
355.06723	34.0
371.09967	1.3
396.07211	1.4
397.07785	14.3
447.09375	47.8
448.09576	3.1
461.38123	1.1
465.10388	27.9
489.10379	15.4
490.11035	1.6
499.11200	6.6
507.11459	19.2
559.13263	4.8
609.14612	2.3
636.29102	1.8
669.16705	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	669.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12455	1.4
57.03442	3.4
59.01387	7.7
69.03520	1.9
69.71572	1.8
69.71912	5.1
71.01389	4.8
75.77804	1.5
81.03458	4.7
83.01404	2.5
89.02430	3.0
95.05053	2.3
95.72261	1.7
97.02946	3.5
98.21962	2.0
99.04507	3.7
108.02180	4.2
109.00357	1.6
109.02967	39.3
112.24679	2.0
121.02990	11.2
123.04535	5.0
125.02464	30.5
133.02945	4.6
135.00887	6.7
135.04514	6.2
137.02461	18.9
138.03230	3.5
139.04025	3.2
148.01665	4.7
149.02451	42.6
161.02455	10.9
162.48116	1.6
163.00397	9.7
163.03952	2.8
164.01186	13.2
165.00677	3.1
165.01947	30.9
166.02718	16.8
167.03517	33.9
173.02449	2.9
174.03107	2.0
175.04021	17.1
176.01181	6.2
177.01939	4.3
179.03510	5.2
184.26318	1.4
187.04030	2.1
190.99867	35.9
191.03510	4.0
192.00664	14.8
193.01431	62.3
193.91759	1.7
195.04646	1.8
198.03157	2.4
199.03992	13.7
201.01941	7.0
211.03998	2.7
212.04860	2.6
213.05696	3.2
217.05104	10.7
223.03995	12.3
224.04613	2.4
235.02396	2.1
235.16145	1.6
238.49658	1.7
239.03548	4.2
240.04280	3.4
241.05067	20.2
242.02203	2.8
242.05215	2.4
243.03027	7.2
255.03047	1.9
257.04419	2.9
259.06277	2.0
267.03006	100.0
268.03360	4.6
284.03299	16.2
285.04062	74.2
286.04361	3.7
295.05936	2.6
303.05099	11.1
309.03931	5.0
329.08789	20.4
339.07257	13.0
355.06714	40.5
356.07181	2.7
396.06763	3.0
397.07703	3.8
414.38739	1.7
447.09390	34.0
465.10419	49.4
466.10983	3.0
489.10355	13.8
507.11661	10.7
559.13452	9.6
669.16992	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	669.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72577	0.8
59.01390	2.0
69.48869	2.0
69.49269	3.1
71.01376	0.9
72.99312	7.7
78.95889	0.8
83.38271	0.8
83.39628	0.8
85.02945	1.0
85.27030	0.9
88.98812	1.9
89.23331	0.9
107.05048	2.6
109.02944	2.7
109.06535	1.4
121.02930	1.2
123.04542	2.8
133.02972	14.6
134.03773	10.5
135.04541	100.0
136.04855	2.2
137.02409	2.0
149.02458	1.1
159.04443	0.9
161.02463	42.3
161.09703	1.0
163.04018	1.9
163.11313	1.0
177.01947	0.9
178.02708	1.6
179.03522	60.9
180.03844	2.5
191.03436	1.1
193.05241	0.9
197.04549	11.7
198.74413	0.8
207.10242	2.2
209.11829	1.1
211.13321	1.0
219.03020	1.8
219.10321	1.0
223.13437	1.1
225.11446	1.2
267.06702	1.3
279.28073	0.8
292.04169	0.9
295.06204	1.1
341.06680	10.1
359.07648	3.4
406.46231	0.8
489.24933	1.4
507.26102	24.9
508.26553	1.1
625.28650	1.6
651.29584	2.0
669.29346	40.8
670.29498	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	671.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.7
61.98838	1.5
69.93222	2.1
71.01388	0.8
72.45138	0.7
72.99319	9.6
74.99130	0.7
82.95419	1.4
89.02455	0.8
96.96017	1.7
98.18951	0.8
108.02152	1.0
109.02967	23.8
116.92860	0.8
121.02966	2.4
123.04536	4.8
133.02971	9.5
134.03758	1.3
135.04539	18.2
136.04875	0.9
145.02968	5.9
147.04512	0.8
149.02440	2.0
151.04018	2.0
159.04565	1.0
161.02463	29.9
163.03967	1.4
164.04781	1.7
173.02463	9.7
174.03244	16.0
175.03897	1.5
179.03500	8.3
185.02420	2.0
190.02771	1.0
191.03462	0.9
197.04552	7.2
201.01921	1.3
202.02690	0.9
203.03490	1.0
206.05879	1.0
209.06122	2.4
211.07698	1.2
219.04622	1.1
220.05327	1.2
221.06129	1.6
223.04141	1.0
223.06123	3.1
225.05550	0.8
227.07182	1.7
237.05580	5.4
238.06358	2.0
239.07179	2.1
248.04834	2.1
249.05609	3.1
250.06354	1.5
254.05850	4.8
255.06635	8.2
264.04187	0.9
265.04776	4.2
265.07275	3.3
266.05826	2.0
267.06671	12.4
277.04971	1.4
279.02850	0.9
280.04022	0.9
282.05356	1.7
283.06137	42.2
284.06473	1.8
285.07474	0.7
293.04550	10.2
294.04907	1.1
295.06079	2.7
311.05640	100.0
312.05981	6.9
313.07352	1.1
321.04022	6.8
325.09253	1.5
339.05084	2.3
359.07849	5.3
385.11069	1.2
451.99631	0.8
471.31348	5.1
472.31842	1.4
473.08856	1.4
473.32037	1.4
491.09912	0.9
509.10944	72.1
510.11356	5.9
519.08990	1.1
554.14252	0.8
642.35974	0.9
671.34100	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	671.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71931	0.6
69.50790	1.1
69.51180	1.3
72.99315	18.8
94.31023	0.5
109.02962	7.5
110.03311	0.6
117.03459	2.1
121.02945	1.6
123.04530	7.2
132.02281	0.7
133.02977	23.6
135.04544	21.6
136.04907	0.6
145.03003	1.4
149.02461	9.7
150.03285	3.5
151.04068	1.6
161.02461	100.0
162.01558	0.6
162.02704	2.9
173.02458	1.6
174.03239	2.1
179.03510	18.7
179.36766	0.5
180.03862	0.7
185.02496	1.4
196.05281	0.6
197.04570	26.7
197.06366	1.4
198.05112	0.6
211.07797	1.1
221.06108	0.9
222.06703	0.6
237.05611	1.0
239.07162	1.9
248.04727	0.6
249.05554	1.4
250.06355	1.4
255.06514	1.5
265.05099	0.9
267.06638	11.8
268.06946	0.9
283.06174	6.4
285.07669	0.7
293.04642	0.9
295.06024	0.7
303.36899	0.6
311.05640	27.4
312.06064	0.9
321.04013	1.2
329.06696	12.2
339.05072	1.3
340.05713	1.0
341.06213	1.6
347.07480	1.1
359.07758	45.1
360.08142	1.6
473.09375	0.9
491.09583	2.7
509.10919	33.7
510.11249	2.5
513.84967	0.7
521.11090	1.7
671.13885	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81943	0.6
69.43385	1.2
69.43801	1.5
72.99317	19.3
85.47608	0.5
89.03982	0.8
93.03479	0.7
98.21793	0.6
107.05033	0.7
107.49169	0.5
109.02945	6.9
117.03472	2.7
121.02998	1.2
123.04539	7.2
132.02162	0.8
133.02972	26.1
134.03769	0.8
135.04544	21.7
149.02463	8.5
150.03247	5.4
151.04004	2.8
161.02466	100.0
162.02864	3.1
173.02464	1.2
174.03253	2.1
179.03520	18.9
180.03886	0.6
197.04575	23.2
197.06395	1.2
201.01929	1.2
202.02753	0.7
202.32028	0.5
211.07771	0.8
211.19753	0.7
234.00385	0.6
237.05740	0.9
239.07144	1.2
249.05605	1.3
250.06480	0.9
254.06050	0.7
255.06703	1.4
265.05045	0.7
266.06241	0.7
267.06659	12.6
268.07272	1.4
283.06161	7.2
311.05637	32.5
312.06149	2.7
313.06952	1.1
314.93912	0.6
329.06665	11.8
358.87006	0.6
359.07751	41.5
360.08200	2.3
491.09747	3.7
492.10010	0.6
509.10944	34.4
510.11353	3.2
521.10907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.141
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12924	0.4
71.11448	0.3
72.99316	13.5
93.03477	0.3
109.02975	3.7
117.03483	0.4
121.02953	1.1
123.04546	5.8
132.02171	1.1
133.02971	20.8
134.03711	1.1
135.04539	21.0
136.04874	0.7
145.03000	0.8
149.02457	6.7
150.03242	6.2
151.04039	0.3
161.02460	100.0
162.02808	2.7
173.02502	0.6
174.03233	0.6
178.02791	0.4
179.03513	14.8
180.03812	0.4
197.04573	15.8
197.06383	0.8
211.07782	0.4
225.45523	0.4
237.05600	0.6
239.07111	0.6
249.05650	0.6
250.06377	0.7
266.05875	0.5
267.06619	6.4
268.07318	0.6
283.06165	2.1
293.04565	0.4
306.67944	0.3
311.05661	8.0
312.06216	0.7
313.07153	2.9
357.06232	0.6
359.07748	25.9
360.07959	0.9
491.09546	0.4
509.11047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33072	0.3
59.02787	0.3
69.87195	1.2
69.98638	0.3
72.99316	12.2
76.89377	0.3
82.04220	0.3
88.53303	0.3
94.23984	0.3
98.22578	0.4
101.64731	0.3
107.05049	0.6
109.02975	3.4
121.02959	1.0
123.04552	5.3
132.02173	0.8
133.02969	20.6
134.03734	1.1
135.04538	21.7
136.04924	0.6
145.02963	0.7
149.02466	7.1
150.03247	6.9
151.03960	1.1
161.02460	100.0
162.02783	2.4
167.92542	0.3
173.02402	0.8
174.03334	0.5
178.02759	0.5
179.03514	15.0
180.03954	0.3
183.44519	0.4
187.76213	0.3
197.04559	15.3
198.04907	0.4
221.06075	0.5
237.05370	0.4
239.07175	0.8
249.05537	0.6
250.06296	0.5
267.06635	7.9
268.07190	0.8
283.06149	1.6
293.04617	0.6
311.05624	10.2
312.06015	1.0
313.07199	4.3
329.06653	0.4
352.01373	0.4
357.06158	0.6
359.07745	35.5
360.07898	2.2
401.28162	0.4
491.09970	0.4
509.11377	0.4
631.52814	0.4
688.24738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80341	0.3
72.99315	13.2
93.03485	0.3
98.21899	0.8
105.03485	0.3
107.04995	0.3
109.02964	2.6
117.03485	0.6
121.02995	0.5
123.04542	5.9
125.08651	0.3
132.02197	1.1
133.02971	22.4
134.03685	1.1
135.04541	25.1
136.04854	0.9
145.03014	0.5
149.02448	4.0
150.03246	1.3
151.04031	0.8
153.85481	0.3
159.04521	0.3
161.02460	100.0
162.02795	2.5
169.85228	0.3
172.79330	0.3
173.02435	0.6
174.03253	0.6
177.01920	0.5
179.03511	15.6
189.25395	0.3
197.04568	16.3
198.04987	0.5
201.20796	0.3
209.06149	0.4
223.02461	0.4
237.05602	0.5
239.07195	0.6
250.06264	0.4
255.06761	0.4
265.04968	0.4
267.06613	6.0
268.07126	0.6
283.06149	2.2
284.60318	0.4
293.04626	0.7
299.62726	0.3
311.05615	15.3
312.06024	1.1
313.07224	2.6
321.03876	0.5
329.06595	0.8
337.03400	0.9
338.03720	0.4
359.07745	38.3
360.08112	2.3
392.70999	0.3
447.10556	0.3
491.10022	1.1
509.10916	4.2
510.11743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34410	0.7
54.72959	0.5
61.51737	0.6
67.27248	0.6
70.54860	1.0
72.99334	0.9
81.03455	0.7
83.69623	0.7
108.02175	1.0
109.02966	30.9
109.07410	0.6
121.02992	1.2
123.04528	2.8
135.04539	2.7
137.02452	0.7
145.03008	1.0
147.04570	0.8
149.02469	1.1
150.03267	2.0
151.03990	3.6
157.03000	1.7
158.03690	0.8
159.04546	2.6
160.01666	0.8
161.02373	1.0
173.02455	2.8
184.01697	2.5
185.02464	23.0
186.03204	4.0
193.06555	4.3
193.90144	0.8
195.04460	0.8
197.06125	0.8
201.01900	1.0
204.05888	0.8
205.06555	1.1
209.06163	1.4
211.07632	1.1
213.01941	1.1
219.04593	1.7
220.05309	2.4
221.06084	7.0
223.04085	1.5
224.04697	1.0
225.05571	2.6
231.04388	0.9
232.05276	1.4
235.04039	1.8
236.04532	0.8
237.05515	3.0
239.07172	1.8
247.04039	3.2
248.04802	5.5
249.05571	15.0
250.02850	1.1
250.06111	1.0
251.03517	5.1
251.07278	0.9
252.04250	1.2
253.05292	0.7
259.66464	0.7
260.04880	0.9
264.04272	1.3
265.05051	11.8
266.05798	0.8
267.06705	4.2
275.03500	2.5
275.32690	0.7
276.04282	3.8
277.05078	20.0
278.02264	1.2
278.05533	0.9
279.03033	18.7
280.03717	5.9
281.08087	1.1
284.96542	0.7
292.03891	1.2
293.04602	26.1
293.07974	1.3
294.05118	2.0
295.06149	22.8
295.08801	0.4
296.06430	1.1
303.03000	2.6
307.06177	2.3
319.06146	2.9
321.04062	87.5
322.04520	3.7
339.05121	46.2
340.05530	2.4
351.05096	2.7
363.05154	1.7
403.11826	0.8
429.09698	3.7
447.10843	6.7
473.08820	100.0
474.09155	10.8
491.10019	1.3
599.00879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.1
61.98808	1.5
64.42255	0.9
71.01401	1.1
72.99316	8.2
78.26106	1.0
81.56648	0.8
88.98814	1.3
92.68796	0.9
96.96024	4.3
108.02170	2.6
109.02975	36.9
117.03493	1.6
119.05051	1.1
121.02956	2.5
123.04583	5.5
126.90482	1.0
133.02968	10.4
135.04553	15.4
137.02440	1.1
145.02998	5.5
146.03682	1.4
147.00815	1.0
147.04562	2.1
149.02454	1.1
150.03255	1.2
151.04042	3.5
152.01215	1.1
158.38242	1.0
159.04515	2.5
161.02467	28.5
161.03743	2.0
162.02829	1.1
163.04051	2.3
173.02464	8.6
174.03258	14.6
175.03983	2.9
176.96999	1.0
177.01964	1.0
179.03535	9.2
180.03792	1.1
181.51776	0.9
185.02461	10.7
186.03119	2.8
193.06572	4.0
197.04538	7.4
197.06065	1.2
201.01808	1.1
202.02684	1.9
208.05267	1.1
209.06119	2.9
213.02092	1.4
220.05298	1.9
221.06148	5.3
222.06476	1.2
223.04002	1.1
225.05476	2.7
227.07085	1.7
237.05583	8.1
238.06190	2.1
239.07143	1.5
247.04219	2.1
248.04808	3.8
249.05533	12.4
250.06259	2.6
251.03506	4.9
253.04884	1.1
254.05910	3.4
255.06627	8.1
263.07831	1.0
264.04276	2.0
265.05051	8.6
266.05789	2.6
267.06671	11.2
275.03613	1.8
276.04248	2.6
277.05078	10.0
278.05566	1.5
279.03052	12.4
280.03641	4.3
282.05420	1.4
283.06177	31.9
284.06531	1.5
284.29092	1.0
292.03687	1.3
293.04648	15.8
295.06140	10.2
303.02780	1.8
307.06342	2.0
311.05649	100.0
312.06165	5.3
319.06091	2.5
321.04071	49.4
322.04373	3.2
339.05121	21.7
340.05399	3.1
357.06189	2.9
359.07571	7.7
360.08057	1.4
363.04901	1.2
429.10089	2.2
473.08841	36.2
474.09311	3.4
491.10385	1.6
509.10944	60.5
510.11285	3.3
519.09088	1.2
548.20453	1.0
564.14539	1.1
583.26831	1.1
621.00055	1.3
666.61206	1.0
671.33270	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	671.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.4
65.04040	0.2
71.47612	0.3
72.99313	2.6
93.03450	0.2
93.47141	0.3
93.66226	0.2
96.96041	0.6
98.22625	0.6
104.78770	0.3
108.02225	0.6
109.02968	17.1
110.03329	0.3
113.03983	0.8
121.03033	0.3
123.04539	1.3
133.03000	1.3
133.18884	0.3
134.03745	0.6
135.04543	5.7
137.02475	0.3
142.69194	0.3
145.02980	0.7
147.04538	0.6
149.02443	1.3
150.44395	0.3
151.04037	0.8
157.02940	0.9
158.03731	0.3
159.04503	0.7
160.01715	0.4
161.02477	4.5
165.07039	0.4
173.02443	1.2
174.03352	0.4
175.04042	0.8
179.03539	2.2
179.04977	0.4
184.01593	0.4
185.02454	11.9
186.03229	3.1
187.04071	0.5
191.05096	0.3
193.06601	1.5
195.04503	0.3
197.04581	2.6
197.06102	0.4
201.01860	0.3
204.05795	0.5
209.06117	1.2
210.03499	0.4
213.01909	0.3
219.04701	0.7
220.05287	1.0
221.06097	3.4
222.03070	0.3
222.06590	0.3
223.04047	1.2
224.04781	0.6
225.05569	1.7
229.01479	0.7
232.05321	1.1
235.04070	0.4
237.05562	1.6
239.07147	1.1
247.03963	1.4
248.04846	2.3
249.05589	7.0
250.02704	0.9
250.06120	0.4
251.03526	4.0
251.06239	0.4
251.07178	0.5
252.04327	1.9
253.04945	0.6
259.04001	0.3
260.04846	0.4
263.03497	0.7
264.04166	0.7
265.05069	6.4
265.07709	0.5
266.05725	0.8
267.06662	3.3
275.03622	0.8
276.04221	1.5
277.05078	9.9
278.02386	0.5
278.05502	0.6
279.03024	14.8
280.03781	4.1
292.03885	1.1
293.04611	9.3
294.05029	1.0
295.06155	13.0
296.06506	0.7
303.03021	2.2
304.03366	0.3
311.05585	0.4
313.07257	0.3
321.04071	100.0
322.04425	5.6
339.05118	25.0
340.05566	1.6
359.07870	1.3
414.13300	0.3
473.08936	0.8
475.10873	0.3
519.09406	25.2
520.09753	1.8
623.32245	0.3
627.28748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71280	0.3
71.40769	0.4
72.99315	2.0
81.03487	0.4
83.42747	0.3
99.88230	0.4
108.02162	0.9
109.02964	25.1
110.03296	0.8
113.03973	1.1
115.05553	0.5
121.02956	0.9
123.04548	2.8
135.04536	4.1
141.03427	0.4
145.02982	1.0
147.04509	1.1
149.02444	1.4
150.03246	1.2
151.03984	2.5
157.02965	1.4
159.04565	1.9
159.05649	0.4
160.01691	0.7
161.02396	0.4
163.04034	0.4
167.05042	0.5
173.02473	2.4
174.03198	0.5
175.04054	0.8
179.03493	1.4
179.05014	0.5
184.01663	1.0
185.02451	20.4
186.03241	4.6
187.03961	0.5
187.10646	0.4
193.06581	2.4
195.04562	0.7
197.04573	1.7
201.02106	0.9
204.05786	1.1
205.06609	0.8
207.04572	0.4
209.06099	1.7
211.07745	0.5
213.01955	0.9
213.05527	0.6
219.04483	1.4
220.05296	2.4
221.06078	6.2
222.06432	0.5
223.04013	1.4
224.04790	0.8
225.05577	2.5
229.01663	0.5
231.04480	0.4
232.05302	1.4
233.06120	0.6
235.04120	1.0
236.04770	0.8
237.05533	3.1
239.07167	1.3
247.03925	2.5
248.04756	4.3
249.05577	11.9
250.02689	0.9
250.06093	0.6
251.03526	7.0
251.06155	0.6
251.07193	0.4
252.04221	2.2
253.01404	0.4
253.05098	1.4
260.04843	1.0
263.03455	0.7
264.04312	1.6
265.05066	10.2
266.05743	1.5
267.06595	3.3
275.03513	1.9
275.06299	0.4
276.04282	3.1
277.05072	14.2
278.02466	0.5
278.05600	1.0
279.03021	18.3
280.03775	6.1
281.04413	0.9
291.03110	0.6
292.03854	1.0
293.04590	17.7
293.07864	0.8
294.05090	1.9
295.06137	19.4
296.06476	1.3
303.03058	2.9
304.03644	0.9
307.06192	0.9
319.02682	0.5
319.06161	1.2
321.04056	100.0
322.04407	5.8
323.04819	1.1
339.05106	38.2
340.05508	2.7
341.05600	0.9
351.05121	1.5
353.26617	0.4
363.05032	0.6
403.11783	0.5
429.09833	1.5
447.10913	1.9
473.08823	36.9
474.09302	2.6
475.09674	1.0
519.09406	16.7
520.09985	1.3
526.93280	0.4
700.06842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	0.5
71.40729	0.9
72.99317	14.7
72.99707	1.1
81.77274	0.5
107.05019	1.2
109.02946	5.8
110.03277	0.6
117.03459	0.5
122.03851	0.6
123.04549	6.8
132.02187	1.0
133.02975	21.3
134.03770	5.1
135.04541	84.0
136.04898	1.5
137.02451	1.1
147.04591	0.7
149.02423	0.7
151.04077	2.0
153.01965	1.4
156.11647	0.5
161.02461	100.0
162.02817	2.5
166.82091	0.5
167.03510	1.5
175.04041	0.9
177.01915	0.6
179.03516	58.9
180.03857	0.6
185.02481	3.1
186.03175	0.9
192.21588	0.6
197.04553	19.8
198.05060	0.7
220.05338	0.6
221.06288	0.5
223.02429	0.7
229.01294	0.8
249.05553	2.4
253.05194	0.8
265.05038	1.3
266.05756	0.7
267.06635	2.1
277.05112	2.3
279.03110	2.6
280.03537	0.5
293.04602	3.6
293.07532	0.7
295.06058	3.4
297.06186	1.3
311.05206	0.7
313.07217	1.8
319.06006	0.7
321.04031	10.3
322.04489	1.2
339.04950	5.5
357.06253	0.8
359.07761	37.6
360.08066	1.6
400.40634	0.6
429.09750	2.2
447.10831	1.0
473.08807	6.4
491.12036	4.7
509.12955	11.0
510.12881	0.7
519.09515	1.7
671.16193	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	671.2681
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
71.16461	7.6
78.17372	4.6
80.16222	4.7
100.44614	4.7
117.99384	4.7
161.02472	12.4
162.62108	4.1
169.47865	5.3
177.10361	5.5
671.26770	100.0
672.26886	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	671.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48422	0.6
51.19321	0.6
58.47571	0.5
59.01382	2.0
59.51265	0.5
61.60952	0.6
69.34084	2.1
71.01401	0.8
72.99313	12.9
73.56801	0.7
82.95454	0.6
85.02946	0.8
93.03490	0.6
96.96030	0.8
98.21953	1.0
105.03461	0.6
107.05075	0.8
109.02979	3.8
109.06543	0.7
115.55854	0.7
117.03469	0.9
121.02987	1.1
122.06182	1.1
123.04517	4.3
131.01910	0.6
133.02971	19.1
134.03596	0.6
134.06155	0.9
135.04539	32.7
136.04865	7.3
137.05034	1.8
145.02953	0.6
149.02464	6.3
150.03246	4.1
151.04041	1.4
152.07187	3.2
159.04535	0.9
161.02458	85.7
162.02817	7.1
163.02928	1.0
163.11296	0.7
168.07605	0.6
172.65138	0.5
174.03252	1.2
177.01917	1.3
178.02699	0.9
179.03522	23.0
180.03819	4.3
181.04013	2.5
190.05072	1.2
197.04559	14.1
198.04906	2.0
198.09233	2.0
207.10295	2.2
209.05945	0.6
209.11848	2.5
225.11307	1.9
226.07411	1.3
227.12898	1.3
228.09081	2.8
237.05748	0.7
239.11913	11.3
241.09842	71.7
242.10245	2.9
243.11435	1.4
250.06255	0.9
255.11360	1.0
256.12180	42.2
257.12491	2.1
265.05185	0.8
267.06714	5.9
268.07153	1.0
271.14288	0.7
283.06134	2.6
295.06171	0.8
300.11252	9.5
300.14407	1.2
311.05612	12.5
312.05984	1.5
313.07104	2.6
315.13522	100.0
316.13840	6.3
321.04126	2.1
329.06467	1.8
330.16187	0.8
339.05203	0.8
354.59323	0.6
355.12994	5.9
359.07721	28.0
360.08194	4.8
361.08426	3.2
473.08875	3.8
491.09360	1.4
509.11145	5.3
509.26813	0.9
510.11414	0.8
563.22992	1.8
595.25409	3.6
598.50214	0.8
653.31750	1.1
671.32941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01379	10.2
65.03973	0.8
66.70000	0.5
69.72964	1.6
71.01389	5.4
72.99319	13.7
73.02976	1.2
77.03952	0.6
80.02687	1.5
81.03459	4.1
83.01372	1.5
83.05038	7.0
84.02186	1.2
85.02955	1.5
87.00885	1.4
89.02435	2.6
93.03468	2.0
95.01373	0.8
95.05028	1.8
96.96028	0.6
97.02954	5.0
99.00885	0.8
101.02440	4.6
102.19477	0.5
105.03461	0.7
106.04224	0.6
107.05019	1.2
109.02977	4.7
109.06601	17.7
110.03741	1.7
110.06927	0.5
111.04577	0.6
113.02477	3.5
116.92884	0.8
117.03510	0.8
119.03506	0.7
121.02959	2.3
121.06615	2.0
122.06147	1.1
123.04529	5.9
123.08202	0.8
125.06068	0.9
125.09728	2.5
132.02205	1.3
133.02968	22.6
134.03845	1.1
134.06110	0.7
135.04539	26.6
135.08209	3.3
136.04822	3.9
137.05017	0.6
142.02768	0.7
145.02965	1.3
147.04503	0.8
149.02475	7.3
150.03242	8.9
151.03990	1.8
152.07204	1.9
161.02460	100.0
161.09720	1.7
162.02815	6.3
163.02873	0.9
163.11290	15.2
164.11595	0.6
165.12834	2.3
171.10277	2.6
173.02434	0.7
174.03220	1.1
175.30644	0.5
177.01991	1.1
179.03508	18.3
179.10864	0.7
180.03825	3.1
181.04083	0.6
181.12369	3.6
185.02405	0.7
185.11887	2.2
187.09750	0.6
189.01982	0.6
189.09186	1.6
191.10777	1.4
197.04558	14.7
198.04912	1.0
207.10280	50.1
208.10652	1.6
209.11847	91.8
210.12207	4.1
221.11920	0.6
223.13348	0.6
225.11340	22.7
226.11804	1.0
227.12918	10.4
231.10333	1.1
235.08189	2.6
235.13374	0.8
237.05470	0.7
245.11928	0.9
247.13397	1.1
249.05614	1.1
249.11299	1.3
253.09293	8.7
263.12860	1.4
265.09781	0.5
265.14478	1.1
266.05713	0.7
267.06613	8.1
268.07239	0.7
277.04813	0.8
281.14029	0.9
283.06058	3.6
293.04590	0.7
293.09183	1.3
295.06119	0.6
299.14896	0.8
311.05640	14.6
312.06039	1.6
313.07303	2.7
321.04141	1.5
328.51917	0.5
329.06714	2.4
339.05048	0.9
355.23138	0.6
359.07751	32.5
360.08026	4.9
361.08389	1.4
373.23969	1.2
381.20709	0.8
399.21814	5.3
405.17798	0.6
417.22858	5.2
435.24081	0.7
443.19217	2.3
461.20407	8.6
473.08847	12.6
474.09613	1.5
491.10022	1.2
491.26642	0.7
502.16110	1.6
509.10812	5.1
510.10834	1.0
635.30768	10.5
636.31195	1.3
639.24579	1.7
653.31885	11.3
654.32410	1.3
671.32996	19.1
672.33228	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	671.3575
Annotation	CHEBI:69144
Peak:m/z	Relative Intensity
59.01366	1.3
65.90465	0.7
66.55364	0.7
71.01404	1.2
72.99315	16.2
96.96013	1.0
98.22612	1.8
99.04540	1.0
101.02471	0.8
109.02979	4.1
116.92892	1.9
121.02962	2.1
123.04552	5.6
132.02182	1.6
133.01933	0.8
133.02971	21.6
134.03755	1.8
135.04541	22.3
136.04820	1.5
145.02950	1.2
146.03900	0.7
149.02469	5.4
150.03244	4.6
151.04012	1.2
161.02460	100.0
162.02821	4.5
174.03198	0.9
178.02774	1.4
179.03517	18.3
179.05077	1.2
181.05038	1.2
197.04553	16.6
198.04912	1.4
209.11861	1.2
224.63922	0.9
237.05743	0.8
239.07118	1.1
259.02826	0.9
267.06659	7.5
268.06848	1.5
283.06140	3.4
311.05646	15.8
312.06070	1.7
313.07117	2.1
329.06699	2.3
337.54947	0.8
359.07764	31.8
360.08017	3.2
491.09833	1.5
509.11099	8.0
509.18097	1.1
509.27698	1.9
510.11395	1.5
635.38263	1.5
671.35797	70.3
672.36139	6.7
698.90137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89172	2.6
72.99297	2.8
109.02951	10.7
123.04527	2.8
133.02919	5.4
135.03587	2.4
135.04552	9.4
151.00381	9.1
161.02464	31.0
162.02824	5.8
163.03918	4.1
178.99907	4.6
179.03496	4.4
185.02509	3.4
197.04536	3.1
229.01579	2.9
243.03059	4.9
249.05360	2.6
255.03017	21.7
271.02505	40.2
277.05099	3.6
278.05362	3.1
293.04416	4.4
294.05032	4.3
295.06055	6.0
296.06400	3.1
300.02777	68.9
301.03531	24.6
313.07147	7.0
314.07559	8.4
321.04044	15.6
322.04224	11.5
339.05011	4.6
340.05304	4.5
357.06491	2.9
358.06305	4.1
359.07977	5.0
473.09073	2.7
474.08893	6.6
510.10977	4.8
520.09589	3.0
609.14673	100.0
610.15192	6.9
681.78186	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	673.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56447	0.4
64.50212	0.4
68.32902	0.4
69.03474	0.8
72.99311	2.4
91.01849	0.5
95.01390	1.1
97.02921	0.7
107.01416	1.8
109.02960	12.6
113.04015	0.6
123.00862	0.9
123.04511	1.5
124.01630	0.9
125.02460	3.3
133.03017	1.4
135.04529	3.7
139.02356	0.5
146.04082	0.4
146.60774	0.4
147.01118	0.4
147.04532	1.7
151.00380	7.2
153.01949	47.4
154.02376	0.5
157.02951	2.0
159.04587	0.7
160.01704	0.7
161.02446	7.1
173.02478	2.0
175.04047	0.8
179.03503	2.5
184.01749	0.7
185.02444	19.6
186.03160	2.6
193.06726	2.5
195.04469	0.5
197.04581	1.8
204.05759	0.6
205.01453	1.2
205.06497	0.7
207.04601	0.5
209.06163	0.9
213.01973	0.7
214.02716	0.5
219.04570	1.3
220.05254	1.4
221.06026	4.1
223.03978	1.1
232.05327	1.1
235.04045	1.0
236.04834	0.9
237.05679	2.3
247.04050	2.0
248.04842	3.6
249.05576	8.8
249.80461	0.5
250.06065	0.5
251.03532	4.2
263.03482	0.9
264.04330	1.9
265.05081	7.8
266.05533	0.9
267.06497	1.2
275.03580	1.8
276.04401	2.3
277.05069	10.2
278.02466	0.6
278.05518	0.8
279.03009	10.8
279.05942	0.9
280.03479	1.4
292.03845	1.6
293.04581	16.4
294.04910	1.2
295.06146	11.9
296.06525	0.6
303.02896	2.5
304.03644	0.7
321.04059	100.0
322.04388	6.9
323.04620	1.7
339.05020	2.2
339.99591	0.5
340.05548	0.9
341.05603	0.6
359.07877	1.0
473.08862	0.7
474.09131	1.1
475.06598	16.9
476.06964	1.2
519.09448	3.7
520.10022	0.7
576.96649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	51.4
62.87457	34.0
69.61917	31.7
88.98892	34.3
98.21915	100.0
116.00188	37.2
121.03001	53.8
124.02331	40.9
161.02533	55.1
180.10706	38.5
191.70926	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	673.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70438	1.9
72.99316	13.5
101.37953	0.6
123.04533	7.0
132.02213	1.0
133.02969	20.2
135.03490	0.9
135.04533	16.0
149.02446	0.5
151.04016	1.0
161.02463	100.0
162.02856	1.3
167.43370	0.6
179.03523	13.6
183.58189	0.7
197.04568	18.8
198.04944	0.6
202.65875	0.5
313.07111	1.2
359.07761	30.1
360.08051	1.3
443.17117	0.6
589.13788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79311	1.0
58.94415	1.2
59.01397	1.3
68.79799	1.1
69.51024	2.8
70.14633	1.1
70.96982	1.1
72.99316	10.9
87.54354	1.0
88.98833	1.1
96.96021	1.5
98.21874	2.5
99.00877	1.9
100.93345	1.5
102.35313	1.2
105.03460	3.1
109.02959	11.7
113.02531	1.3
115.92091	1.6
116.92870	12.7
121.02985	2.8
123.04518	5.2
132.02129	1.6
133.02965	33.1
134.03772	19.3
135.04541	65.4
136.04892	1.6
137.02428	8.0
139.04070	1.4
145.02969	1.5
147.04620	5.1
149.02461	2.1
150.03250	1.3
151.04016	11.4
159.04550	5.0
161.02463	100.0
161.06125	7.1
162.02974	5.6
177.01941	7.9
177.05536	3.1
178.02737	21.9
179.03516	62.7
180.03941	1.6
190.02837	1.2
191.03416	2.4
197.04562	12.5
198.04892	1.1
209.11819	1.4
221.04573	9.8
269.08200	2.3
270.08847	1.3
313.07187	6.6
314.07907	2.3
315.19666	13.3
316.19897	1.2
357.06174	8.5
358.06998	2.1
359.07751	54.4
360.08087	3.1
381.84659	1.2
629.26886	1.4
656.43567	1.2
673.26697	6.5
679.96521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54764	0.7
64.75409	0.7
69.05645	2.7
69.06066	2.6
72.99313	17.7
74.07878	0.8
96.96058	0.7
98.22614	1.3
105.03465	1.1
107.04998	0.7
108.85638	0.7
109.02954	1.4
122.03764	0.8
123.04550	9.7
132.02184	0.7
133.02975	25.6
134.03784	3.3
135.04546	19.3
137.02448	1.2
146.93724	0.8
151.04028	13.5
161.02463	100.0
162.02924	2.2
177.01944	0.8
178.02762	5.2
179.03525	19.4
197.04575	16.8
197.25926	0.7
209.11867	1.1
315.19653	10.2
359.07764	66.8
360.08026	2.5
511.23468	2.0
630.05872	0.8
673.26825	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	673.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48032	0.8
66.09112	0.8
70.32959	1.5
71.01392	0.9
72.99316	18.8
76.94555	0.8
92.60371	0.9
93.03442	0.9
95.05033	1.2
105.03464	1.6
108.02233	0.9
123.04540	9.9
128.13953	0.8
132.02182	1.2
133.02972	27.7
134.03732	3.7
135.04541	19.9
136.04807	1.4
137.02446	1.8
139.04082	0.8
150.03323	1.4
151.04031	23.1
159.13316	1.0
161.02458	100.0
162.02837	3.5
178.02681	4.7
179.03510	17.5
185.29971	0.8
191.89299	0.8
197.04572	14.0
201.43610	0.8
207.10342	1.0
209.11790	4.1
211.13443	1.8
227.12981	1.9
315.19653	11.4
358.06943	1.2
359.07748	56.1
360.08109	3.8
396.49237	0.9
511.23520	4.0
537.21338	1.1
614.80664	0.9
623.55322	0.9
673.26221	11.1
674.26160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.5
69.58658	2.1
69.59041	3.3
80.05074	7.6
92.05066	1.3
94.06641	4.3
98.21864	1.2
104.05080	2.2
106.06628	3.9
107.03794	9.5
120.08208	1.7
121.05391	1.6
122.06141	53.4
130.06596	1.5
132.04558	2.7
134.06136	14.8
136.07692	1.5
146.06195	2.3
148.04121	2.6
150.05594	1.6
152.07193	75.8
160.06400	1.8
161.02484	3.0
174.05611	3.1
180.06644	2.3
188.07240	6.2
190.05127	3.2
211.08809	3.2
213.10367	13.1
225.10313	6.1
226.11125	2.5
227.11906	3.0
237.10391	3.9
239.08165	1.6
239.11952	14.5
241.13531	9.8
245.13008	10.2
249.10446	2.3
250.07452	5.3
251.08313	2.4
251.11893	3.6
252.09065	2.0
253.09862	4.3
263.08374	2.3
264.09052	1.4
265.09756	8.0
266.10690	1.7
267.11438	4.0
277.06403	1.5
277.09824	3.9
278.06998	4.3
278.10651	4.9
279.07819	6.3
279.11026	2.4
280.08539	2.0
285.12463	33.3
285.15619	2.0
286.12781	1.3
292.08493	1.7
293.09366	19.5
293.13004	8.7
294.10123	7.7
295.10889	20.2
297.12817	1.4
306.10077	4.5
307.10895	6.8
309.12515	3.4
313.12027	4.3
323.10416	8.8
325.11948	3.3
326.12659	2.3
337.08356	13.2
338.08939	1.5
339.09824	3.0
342.12195	2.0
343.13248	1.6
344.14102	1.6
351.09805	1.8
355.13080	3.6
356.13837	1.8
356.17801	1.9
358.15631	11.1
370.11615	1.9
382.15958	1.6
384.13150	2.0
388.16382	1.5
400.16705	13.4
401.17368	1.9
412.16614	5.6
417.16800	1.5
418.18054	1.7
430.13889	2.4
431.18741	2.0
432.19385	3.7
444.15900	3.5
459.18127	7.2
460.18890	8.9
462.16788	2.0
474.20502	8.5
476.18521	3.0
486.16519	1.8
497.25717	2.4
503.17068	6.1
504.17838	20.1
505.18402	2.1
518.19446	29.4
519.19537	2.7
523.23639	7.4
535.19775	1.9
536.20831	2.2
537.25012	1.6
550.22003	31.5
551.22327	4.8
565.24628	82.4
566.24872	11.0
568.23956	2.0
597.27386	9.7
609.13763	2.6
609.23621	43.1
610.23798	6.0
613.27051	1.8
641.26221	100.0
642.26733	14.9
673.28656	19.3
674.29608	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51570	1.5
55.84129	1.8
58.01028	1.7
59.01387	8.3
69.23643	9.7
72.99286	2.9
80.05064	12.4
93.43990	1.8
94.06610	5.5
98.21840	3.3
104.05058	5.0
106.06631	6.8
107.03809	15.6
108.04559	1.8
120.04530	3.2
121.05363	2.9
122.06136	81.9
123.06412	2.3
130.06589	2.1
133.03009	4.0
134.06137	20.6
135.04619	4.2
135.06798	2.1
136.07642	3.7
148.04016	3.4
150.05649	1.9
152.07181	100.0
157.53345	2.0
160.04037	3.1
161.02460	16.6
161.04816	2.7
162.02740	2.3
174.05592	7.0
179.03447	2.4
180.06648	3.9
188.07210	9.9
190.05023	2.1
197.04507	3.3
209.11740	4.8
211.08763	6.6
213.10373	15.9
223.08775	3.1
224.09384	2.2
225.10310	10.5
226.05501	1.6
226.11108	3.4
227.12572	3.6
235.08612	2.2
237.10332	4.5
239.08304	2.9
239.11894	22.1
241.13544	10.4
245.13016	8.2
249.10274	3.2
250.07483	3.7
251.08235	4.2
251.11960	6.9
252.09058	4.2
253.09822	13.8
263.08228	2.6
264.09033	2.0
265.09830	12.3
267.11380	6.4
277.09784	4.6
278.06989	7.0
278.10516	5.8
279.03549	2.0
279.07727	9.3
279.11218	3.3
285.12457	40.2
293.09351	26.3
293.12784	4.0
294.10114	8.5
295.10870	21.2
306.10043	4.4
307.10956	8.3
309.12674	2.5
312.05814	2.7
313.11783	8.9
323.10516	8.8
325.11975	4.3
332.17938	2.2
337.08356	15.2
339.09900	2.5
340.14447	3.8
342.12299	3.3
343.13217	3.3
344.14001	4.0
348.94028	2.1
351.09726	2.1
355.12958	5.5
357.14798	3.2
358.15533	13.5
359.07819	3.4
384.13437	3.9
385.14160	3.0
400.16687	19.3
404.16251	3.2
412.16571	5.9
414.60519	1.9
416.16312	2.6
417.16873	2.9
418.17514	2.7
419.18460	4.4
424.17178	2.0
431.18384	2.6
432.19101	8.6
459.18222	9.0
460.18683	11.0
462.16748	4.0
463.17288	7.7
474.20798	8.5
475.09726	2.3
476.18060	6.8
478.19882	10.5
497.25525	5.8
503.16873	5.0
504.17896	19.0
518.19409	31.3
519.19574	2.4
521.25562	3.4
523.23529	10.4
524.24109	2.8
535.19470	2.3
536.20160	9.9
550.21985	50.1
551.22321	4.3
553.03314	2.4
565.24603	73.4
566.25043	4.7
568.23022	3.2
597.27087	7.2
609.23602	65.5
610.23914	3.9
641.15570	3.8
641.26251	72.9
642.26569	8.1
655.33191	2.0
673.28809	66.3
674.28845	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	673.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.3
66.76524	1.1
69.76879	3.6
71.01391	1.6
72.99295	2.2
80.05064	5.9
91.27354	1.3
94.06646	2.4
104.05065	1.6
106.06630	3.3
107.03796	6.3
108.04573	1.5
120.04571	1.8
120.08235	1.6
121.05311	1.3
122.06142	38.8
123.04445	1.3
124.07677	1.6
130.06645	1.2
132.04532	1.4
133.02998	3.1
134.06131	11.4
135.04527	3.9
136.07706	2.0
136.75143	1.0
148.04012	2.3
150.03015	1.0
150.05704	1.5
152.07188	64.4
160.04030	2.2
160.06352	1.7
161.02469	15.2
162.02788	3.8
164.04845	1.0
173.04903	1.5
174.05603	4.1
179.03500	3.0
180.03812	1.7
180.06618	2.2
186.05655	1.5
188.07201	10.2
197.04584	2.1
209.11824	7.7
211.08763	2.2
213.10373	7.2
225.10397	4.6
226.11147	1.6
227.12378	1.4
229.13504	1.4
235.08820	2.5
237.10350	4.4
239.11890	7.2
241.13487	5.5
245.12990	6.9
249.06853	1.3
249.10426	1.2
250.07608	5.6
251.08231	4.5
251.11887	3.4
252.09050	3.1
253.09846	4.9
257.25443	1.1
263.08347	2.2
265.06265	2.5
265.09833	9.3
266.10638	2.1
267.11411	4.9
277.09811	3.6
278.06992	12.9
278.10562	3.5
279.07764	11.8
279.11029	2.4
281.09479	1.1
285.12460	17.1
291.07706	1.2
292.08395	2.1
293.09396	39.9
293.12912	5.3
294.10052	10.8
295.10898	13.7
305.09296	1.7
306.10086	5.1
307.10916	8.7
309.12350	6.0
313.12067	2.5
316.14124	1.2
323.10416	5.0
325.12219	1.7
332.17294	1.1
337.08347	32.4
338.08865	3.8
339.09625	2.2
350.09061	2.1
351.09958	1.7
355.12964	1.5
356.17868	1.5
358.15558	4.1
359.07718	2.8
360.08011	3.3
361.08234	2.0
386.15024	1.9
400.16589	5.6
401.17236	1.9
412.16562	3.0
416.15994	1.8
417.16879	1.2
430.13983	4.4
431.18552	3.0
432.19275	2.1
444.15668	3.5
458.17273	4.3
459.18100	10.7
460.18915	10.5
462.16623	2.8
474.20541	11.2
476.18152	3.8
486.16626	1.8
503.17114	10.4
504.17682	18.5
518.19354	66.4
519.19507	5.1
523.23602	2.7
535.19739	4.6
536.20343	4.6
550.22021	100.0
551.22479	6.4
565.24622	38.5
566.25031	2.9
597.27216	6.9
609.23590	21.9
610.23602	1.6
641.26221	64.3
642.26624	3.8
673.28906	11.9
674.29565	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	673.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21104	0.2
56.09813	0.1
57.03464	0.2
57.53973	0.1
59.01117	0.2
59.01385	2.8
67.53866	0.1
71.01379	1.5
72.99316	2.0
73.02943	0.6
73.99669	0.2
74.99712	0.2
80.02665	1.0
80.05087	0.2
81.03474	1.3
83.01390	0.4
83.05042	4.9
84.02166	0.7
84.02636	0.1
85.02959	0.4
87.00890	0.3
89.02457	1.2
93.03455	0.2
95.05064	0.8
97.02956	0.2
97.06583	0.2
98.22692	0.3
99.69777	0.2
101.02435	1.3
106.06623	0.3
107.05002	0.2
108.04543	0.2
109.02975	0.6
109.06615	0.2
113.02441	0.9
119.03472	0.4
122.06130	0.6
123.04523	0.9
124.04875	0.3
125.06125	0.3
125.09712	0.4
133.02979	2.4
134.03284	0.8
134.06105	0.7
135.03581	0.1
135.04549	2.6
135.08180	0.7
136.04889	0.8
136.07690	0.3
142.31944	0.2
143.03535	0.3
145.48018	0.2
147.11725	0.2
149.02483	0.4
149.09679	0.2
150.03207	0.3
150.06870	0.3
150.86755	0.2
151.04005	0.2
152.07162	0.4
161.02467	10.5
161.04414	0.9
162.02809	3.5
163.02982	1.0
163.11317	3.9
165.12869	2.5
171.10295	2.6
174.03264	0.2
177.01869	0.2
179.03510	1.7
179.05055	0.2
179.05513	0.2
179.32674	0.2
180.03859	0.6
181.04091	0.3
181.12363	0.5
185.11818	0.3
191.10770	1.0
197.04546	2.2
198.04927	0.8
199.05023	0.3
199.13332	0.2
209.11856	100.0
210.12173	3.1
213.10492	0.2
221.12012	0.2
227.12923	13.6
228.13339	0.3
235.08289	1.8
247.13489	1.2
253.09317	5.8
265.14346	0.4
267.06516	0.4
268.07034	0.6
269.07272	0.3
282.28198	0.2
284.06503	0.3
285.12277	0.2
293.09460	0.2
295.10910	0.2
311.05707	1.1
312.05954	0.8
313.06494	0.8
329.06641	0.3
330.06775	0.3
337.08505	0.2
356.18173	0.2
359.07803	2.1
360.08069	1.8
361.08310	1.6
401.23203	0.4
419.24088	0.2
444.19226	0.2
445.21011	0.6
463.22037	0.2
488.18317	0.3
493.10550	0.3
510.11200	0.7
511.11636	1.8
511.22403	0.2
565.24579	0.4
575.43127	0.2
597.23511	0.5
611.30872	0.4
623.25067	0.6
637.32294	0.8
641.26068	0.6
655.33673	0.3
673.40527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.9938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	54.1
69.44802	0.4
72.92060	0.4
72.99323	0.5
78.80913	0.4
118.75482	0.4
132.98219	1.4
134.97034	0.8
150.94810	0.6
163.87355	0.5
174.99265	30.1
176.98117	0.7
181.42407	0.5
192.95892	3.7
194.95563	0.9
201.02565	4.0
217.00316	100.0
218.00626	1.3
238.97234	0.5
276.98221	1.0
292.96161	0.5
334.97116	1.3
336.96964	1.2
352.82614	0.5
359.01544	9.3
360.01523	0.6
374.99249	64.8
375.99551	1.9
385.30844	0.5
517.01178	2.2
532.98169	12.3
533.98389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30063	0.6
56.06548	0.5
59.01384	61.2
61.98830	1.1
68.62361	0.5
69.12979	3.5
97.50811	0.4
111.02029	0.6
126.29319	0.5
128.91190	0.5
132.98212	1.9
142.04208	0.6
159.01526	0.7
174.99260	29.5
176.10799	0.5
192.95900	2.4
201.02545	5.2
217.00310	100.0
218.00633	2.7
232.30846	0.5
276.54022	0.5
293.91507	0.5
359.01498	11.3
360.01523	1.0
374.99237	72.9
375.99554	2.8
418.37537	0.6
517.00537	2.0
527.80237	0.5
532.98187	13.6
533.98737	0.6
541.98724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.79620	0.6
57.03445	1.2
58.00594	0.9
59.01388	59.3
60.52446	0.5
61.98841	0.8
62.92950	0.4
68.99805	0.9
69.03455	2.9
70.75230	0.5
71.01389	40.8
71.29960	0.6
72.99306	2.0
73.02953	8.0
75.00897	0.7
75.90120	0.6
81.03468	2.2
83.01398	5.3
83.92007	0.5
85.02953	7.9
86.00110	0.6
87.00891	8.0
89.02456	34.5
93.03472	0.5
93.97691	0.5
95.01421	2.4
97.02966	8.3
99.00895	2.4
99.04499	0.7
101.02456	32.8
103.04017	0.7
109.02957	1.4
111.04529	1.4
113.02464	16.9
119.02668	0.7
119.03519	12.3
121.02987	1.2
123.04530	0.9
125.02465	13.2
127.07678	0.7
131.03497	2.1
133.02959	1.8
133.05098	1.3
135.04533	2.3
135.56125	0.5
137.02563	0.5
139.04010	1.3
141.01988	1.0
143.03526	7.7
149.04539	1.2
151.04007	0.7
161.02539	2.7
161.04576	8.6
167.03522	0.7
173.55894	0.5
177.02034	0.8
179.03522	2.0
179.05626	7.8
185.04602	0.8
196.51691	0.5
199.06183	1.0
217.07233	0.9
221.04729	0.9
221.06683	2.0
235.08246	15.4
236.08438	0.7
245.06660	1.0
253.09291	3.3
259.20682	0.8
263.07715	1.5
264.11856	0.5
277.21759	100.0
278.22189	4.0
287.07706	4.3
305.08823	3.1
323.09851	1.7
359.52664	0.5
379.12772	0.7
397.13547	79.7
398.13931	3.8
400.82050	0.6
415.14615	37.4
416.15109	1.8
500.00894	0.6
558.70581	0.6
675.28119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39374	0.6
55.01863	1.9
57.03438	1.1
58.00605	1.2
59.01385	62.3
60.38799	0.7
61.98826	0.9
69.03461	3.2
71.01388	42.3
72.99315	2.3
73.02953	8.7
78.95901	0.6
79.24235	0.6
81.03446	1.1
81.56592	0.6
83.01388	3.6
85.02956	10.2
87.00883	10.8
89.02454	38.3
91.03971	0.9
95.01395	2.7
97.02953	7.8
99.00870	2.2
101.02454	35.5
102.98718	0.7
109.02930	1.8
111.00787	0.7
111.04518	1.0
113.02457	16.0
115.04057	0.7
119.03506	11.2
121.02943	0.8
123.04519	0.9
125.02457	14.1
131.03510	2.3
133.02997	4.3
133.05092	1.0
134.03737	0.9
135.04546	8.4
137.02324	0.8
139.04036	1.3
141.02013	0.9
143.03519	7.8
147.04562	0.8
149.02583	0.7
149.04578	1.1
151.03993	1.8
152.99535	0.9
159.04504	0.7
161.02486	8.7
161.04572	7.2
161.05956	1.2
167.03493	1.2
177.01945	2.2
179.03506	10.9
179.05617	6.8
185.04552	1.2
197.04575	1.1
199.06133	1.1
217.07039	1.0
221.04659	0.8
221.06685	2.7
235.08244	15.5
245.06647	1.0
245.20044	0.7
253.09222	3.5
259.20767	0.8
263.07748	1.5
277.09521	1.3
277.21753	100.0
278.21994	3.5
287.07770	3.0
292.69278	0.7
305.08795	4.0
313.07217	2.3
323.09866	2.2
357.06387	2.2
359.07669	2.1
361.11719	0.7
379.12604	1.1
394.77719	0.8
397.13531	90.1
398.13657	2.3
415.14594	36.9
416.14645	1.1
593.27478	0.9
603.32526	1.8
675.35071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99708	0.4
59.01383	2.1
68.41531	0.4
69.74000	0.8
69.74389	0.8
71.01371	1.0
72.99283	0.6
73.02937	1.2
77.72266	0.3
83.01399	0.5
96.44322	0.4
96.96015	0.6
98.22569	0.7
101.02431	1.0
109.02956	0.5
149.09731	0.5
189.12871	0.8
191.14839	0.4
197.04536	0.4
211.06361	0.4
226.57390	0.4
253.19865	0.5
272.12469	0.4
321.26025	0.4
361.25449	0.6
363.26898	1.4
375.26837	0.4
377.28647	0.6
379.30045	2.6
389.28500	0.8
391.30191	7.8
392.30383	1.0
407.29617	2.1
409.31165	11.7
410.31427	0.9
417.59052	0.4
425.30688	3.4
426.30948	0.5
441.30182	2.0
453.30182	2.0
471.31195	100.0
472.31558	11.3
485.32422	0.4
535.28748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07426	1.3
59.01381	1.8
70.77791	1.6
72.99308	2.3
73.03025	1.1
84.00932	2.2
85.71002	1.5
93.28522	1.2
96.96013	7.2
101.02472	1.5
114.02024	2.2
133.02951	3.3
135.04547	7.3
155.87502	1.2
161.02417	10.2
166.23851	1.5
179.03502	2.9
265.14407	1.3
290.26511	1.4
303.14203	1.8
453.30145	7.1
469.33740	1.5
471.31189	100.0
472.31464	9.1
633.35773	2.3
676.37250	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	677.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.6
61.98833	46.9
71.43173	4.3
85.02950	9.7
101.02438	7.7
110.10370	5.4
161.02428	11.6
191.02002	6.3
211.13440	100.0
447.22177	16.2
487.33859	6.4
623.34290	38.4
641.35419	17.1
677.32935	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52155	8.2
59.01387	12.1
60.27870	8.3
61.88868	8.9
62.83965	9.6
71.26424	16.7
101.02452	8.3
135.04547	22.5
158.71043	8.7
161.02467	17.8
179.03557	11.1
211.13409	100.0
214.12122	8.9
260.25424	10.4
447.22217	16.8
623.34521	31.6
641.35638	26.2
677.33344	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	22.4
77.59562	15.6
98.21915	65.0
133.03033	17.8
144.73253	14.8
161.02504	21.8
211.13470	100.0
262.50659	17.4
278.33304	16.2
300.79266	18.6
305.23755	17.6
677.33344	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
57.03469	1.1
58.00587	0.7
59.01387	49.0
68.99849	0.8
69.03459	2.3
69.66558	1.6
69.66900	0.8
71.01391	32.6
72.01719	0.7
72.99306	1.7
73.02954	5.7
75.00874	0.8
75.49129	0.5
78.95907	0.6
81.03460	1.5
83.01399	3.0
85.02971	6.2
87.00890	8.1
89.02458	30.7
91.04050	0.7
95.01416	1.6
97.02963	5.7
99.00891	1.7
101.02455	26.1
103.00391	0.5
111.04539	1.4
113.02469	13.8
115.04024	0.8
119.03522	9.8
121.03014	0.7
125.02467	12.7
125.83326	0.6
131.03505	1.6
133.05058	0.6
139.04079	1.1
143.03519	5.9
149.04556	1.2
157.05171	0.7
161.04590	7.4
167.03433	0.9
169.05101	0.6
179.05643	7.5
199.06041	0.6
217.07217	1.3
220.45940	0.5
221.06670	1.4
235.08269	11.5
245.06812	0.8
253.09322	3.0
263.07794	1.6
275.15366	0.6
277.09274	0.7
279.23328	100.0
280.23682	5.4
287.07690	2.8
305.08774	3.7
323.09824	1.9
361.11649	1.0
379.12573	0.8
395.63953	0.6
397.13547	74.9
398.13864	2.9
415.14624	30.5
416.14862	2.0
504.15900	0.6
564.89716	0.6
640.83032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.3
57.03455	1.3
59.01390	52.8
69.03472	1.8
70.69652	1.6
71.01019	2.4
71.01392	30.9
71.42443	1.5
73.02959	5.6
74.87787	1.2
81.03499	2.3
83.01405	2.9
83.35864	1.2
85.02977	8.3
87.00906	7.8
89.02454	26.6
95.01426	1.9
97.02959	7.3
99.00887	2.4
101.02464	25.7
111.56478	1.2
113.02473	11.9
116.92776	1.4
119.03501	8.8
125.02462	11.3
129.30675	1.2
131.03519	2.3
141.70491	1.2
143.03542	6.7
161.02570	1.3
161.04590	8.1
179.03485	1.4
179.05641	5.8
193.36574	1.2
221.06682	1.6
235.08273	13.9
239.85950	1.3
249.97762	1.2
253.09335	2.9
277.21729	1.8
278.12262	1.7
279.23340	100.0
280.23587	4.8
287.07663	2.5
305.08807	3.0
361.11096	1.9
397.13556	73.2
398.13943	3.9
415.14566	34.3
603.19220	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3912
Annotation	Cimiracemoside D
Peak:m/z	Relative Intensity
52.32242	0.9
55.01868	2.7
57.03453	1.6
59.01385	100.0
60.23031	0.9
61.98824	1.3
69.95976	1.8
71.01387	20.2
71.05029	1.3
72.99313	2.6
73.02953	12.3
81.03464	1.2
83.01404	7.9
85.02974	10.1
87.00879	1.4
89.02446	2.9
95.01374	2.4
96.96013	1.0
97.02956	2.0
99.00874	2.7
101.02454	24.7
111.00916	1.4
113.02459	8.2
119.03519	1.5
125.02457	3.6
133.02908	2.1
134.03801	0.9
135.04507	2.9
143.03558	3.9
161.02463	7.5
161.04533	5.3
179.03589	1.3
179.05774	0.9
203.05708	1.5
211.13361	3.1
233.15631	0.9
395.25928	1.0
411.28909	2.0
423.28720	1.7
425.30682	1.8
441.30212	11.4
453.30048	7.4
467.31732	1.1
473.32745	34.5
474.32986	2.7
485.32642	1.1
515.33960	1.8
617.37018	19.4
618.37439	2.3
635.38055	43.1
636.38123	2.4
677.39221	23.1
678.39508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80095	24.2
70.98100	38.1
78.95923	34.9
110.77130	24.2
121.74021	21.0
264.77600	25.5
279.53345	25.7
296.14334	55.7
678.29645	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	678.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03445	1.7
59.01386	14.5
62.02848	0.7
69.27778	4.1
69.79733	0.7
71.01018	1.3
71.01390	16.6
72.99304	3.7
73.02948	7.9
76.10626	0.7
78.75272	0.7
83.01389	5.1
85.02968	9.6
87.00882	1.0
87.94897	0.7
89.02440	3.6
95.01373	1.1
99.00893	2.3
101.02451	24.7
113.02457	9.1
116.92883	1.0
120.26450	0.7
120.82870	0.8
127.70060	0.8
133.02969	6.4
134.03732	1.2
135.04536	5.8
136.05185	0.7
137.02493	1.3
143.03526	2.1
151.04010	1.3
152.75374	0.7
159.03032	1.4
161.02466	24.0
161.04509	9.4
162.02817	1.8
178.02736	1.5
179.03519	2.6
197.04520	1.1
211.13428	1.3
234.05721	0.8
258.28235	0.7
441.30154	5.9
453.30173	3.4
462.60251	0.9
473.32727	19.9
474.33005	1.1
474.46567	1.0
509.51523	0.8
516.21204	1.2
619.41583	0.8
635.38055	100.0
636.38196	7.1
678.38556	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	679.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95456	0.5
62.31106	0.5
65.00343	0.7
68.03161	0.6
72.99284	0.8
84.99317	6.0
87.00881	1.6
91.01909	2.6
93.64323	0.5
93.77530	0.6
96.96034	3.0
97.23117	0.6
98.88789	0.5
108.02211	1.1
109.02968	25.2
112.98822	100.0
113.99114	1.0
121.02984	1.2
134.03755	3.8
135.04546	2.3
145.02992	1.2
146.03760	8.4
149.06065	1.0
158.03746	14.8
159.04549	9.7
160.01691	0.7
161.02484	1.5
161.06087	1.1
173.06100	10.2
175.03981	2.0
191.07181	4.1
193.05037	3.0
197.04666	0.7
206.62292	0.6
229.01439	1.9
249.05707	0.6
250.06331	0.6
265.05148	1.2
266.05881	6.8
267.06644	15.9
268.07446	5.8
276.04382	0.8
277.05142	1.9
281.08279	2.0
283.09735	10.0
293.04700	1.3
294.05255	2.6
307.04706	0.7
309.07599	1.2
327.08780	10.0
328.09219	0.8
353.06644	8.5
413.08810	1.0
503.08087	0.7
580.67755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95456	0.5
62.31106	0.5
65.00343	0.7
68.03161	0.6
72.99284	0.8
84.99317	6.0
87.00881	1.6
91.01909	2.6
93.64323	0.5
93.77530	0.6
96.96034	3.0
97.23117	0.6
98.88789	0.5
108.02211	1.1
109.02968	25.2
112.98822	100.0
113.99114	1.0
121.02984	1.2
134.03755	3.8
135.04546	2.3
145.02992	1.2
146.03760	8.4
149.06065	1.0
158.03746	14.8
159.04549	9.7
160.01691	0.7
161.02484	1.5
161.06087	1.1
173.06100	10.2
175.03981	2.0
191.07181	4.1
193.05037	3.0
197.04666	0.7
206.62292	0.6
229.01439	1.9
249.05707	0.6
250.06331	0.6
265.05148	1.2
266.05881	6.8
267.06644	15.9
268.07446	5.8
276.04382	0.8
277.05142	1.9
281.08279	2.0
283.09735	10.0
293.04700	1.3
294.05255	2.6
307.04706	0.7
309.07599	1.2
327.08780	10.0
328.09219	0.8
353.06644	8.5
413.08810	1.0
503.08087	0.7
580.67755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02824	1.1
59.01381	9.6
69.41965	4.1
71.01380	3.0
76.98655	0.8
79.73764	0.8
82.46052	0.8
85.02961	4.0
89.02430	1.1
95.01405	1.6
95.49555	0.7
100.65801	0.9
101.02438	1.3
108.02161	2.1
109.02963	82.6
110.03367	1.4
111.89396	1.1
113.02470	5.8
119.05024	2.0
123.04539	3.2
129.03497	2.0
131.05008	1.7
132.02177	1.1
133.02965	9.2
134.03746	4.3
135.04544	8.9
145.02960	3.6
146.03699	2.4
147.04515	9.9
149.06075	1.7
151.04068	3.3
158.03712	2.1
159.04524	24.8
160.01665	2.3
161.02472	17.2
161.04503	2.1
163.03972	1.5
165.01974	1.3
173.02339	1.0
174.03136	1.1
175.04013	13.4
179.03511	6.4
182.60500	0.9
193.05096	1.7
203.03514	27.1
225.05685	1.0
235.11974	1.0
237.05539	2.4
238.06187	0.9
247.02573	2.4
251.07190	2.1
253.05241	1.8
254.05817	5.1
255.06662	11.9
266.05768	1.7
267.06531	3.4
269.08246	31.0
270.08560	1.3
281.80151	1.0
285.07327	1.0
291.58896	1.0
295.05981	1.9
309.04074	1.3
312.05927	1.0
313.07230	17.5
322.09201	2.2
357.06177	100.0
358.06482	3.8
456.86353	0.9
475.18317	7.2
517.19336	3.2
679.20947	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	679.298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95922	2.3
57.03457	2.7
59.01385	100.0
61.98833	4.0
71.01381	12.2
72.99324	8.6
83.01406	2.6
83.05035	4.3
85.02991	3.2
87.00902	12.1
89.02464	10.5
96.96014	4.9
97.14778	2.2
99.04514	3.8
101.02451	9.8
107.05046	9.6
107.67794	2.4
109.02984	2.7
112.98845	2.9
113.02469	6.8
116.92883	2.8
119.03522	3.8
120.05890	3.3
123.04525	3.9
125.06076	4.4
133.02980	7.2
135.04558	22.3
159.11789	3.3
161.02486	20.0
161.09758	18.0
161.13419	16.2
169.50699	2.5
175.04070	2.7
179.03539	9.9
179.05608	4.6
185.13411	8.4
187.11296	29.0
187.12871	3.5
189.09207	9.8
197.04555	8.2
203.10785	6.2
205.12360	19.4
207.10338	2.7
223.13422	67.6
224.13649	2.4
229.10103	2.4
229.12291	5.1
232.98457	2.3
236.49695	2.5
246.51123	2.4
247.78493	2.6
249.11336	9.9
267.12427	56.4
268.12671	3.7
270.79520	2.4
291.12378	5.8
309.13516	10.6
313.06970	3.0
339.14496	18.5
352.42355	2.6
369.15585	79.8
370.16019	3.8
371.05270	2.5
385.18546	3.0
429.17664	55.6
430.17862	4.9
635.30463	22.1
679.29474	30.1
680.29755	3.3
700.68646	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	679.3706
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
55.67925	0.4
58.00597	0.5
59.01382	6.8
61.96409	0.4
69.16608	2.7
71.01385	2.8
71.05019	2.0
72.99298	0.6
73.02956	0.5
75.00879	4.4
85.02954	0.6
89.02451	1.5
94.27455	0.5
101.02451	0.9
112.98816	1.9
113.02454	0.8
122.98537	0.4
130.51550	0.5
135.04488	1.2
159.84108	0.4
160.35408	0.5
161.02448	0.9
181.42480	0.4
279.02811	0.6
349.32822	0.5
363.26810	0.9
377.28296	0.5
379.29953	1.0
381.28055	1.4
397.31042	1.9
409.31775	0.5
419.29922	1.0
423.28906	0.8
425.27094	0.8
437.30637	4.6
441.30115	1.3
453.30234	1.1
455.31729	3.7
471.31390	1.2
473.32919	1.3
481.05734	0.8
481.29715	1.3
499.30643	4.6
513.32086	0.7
517.23999	0.8
517.31708	11.6
518.31848	0.6
541.31342	0.5
655.71631	0.5
679.37006	100.0
680.37469	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	679.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	30.2
61.98828	6.2
66.91640	3.0
71.01380	7.6
72.79831	2.5
72.99300	5.9
89.02444	3.6
96.96027	5.5
98.22705	6.1
99.00846	3.2
101.02461	4.6
101.93797	2.9
105.01575	2.7
116.92839	3.3
123.62034	3.1
124.59451	2.6
133.03008	4.1
135.04530	11.4
142.48528	3.1
148.73816	2.6
161.02483	18.5
162.02902	2.9
179.03484	4.7
201.93723	3.1
224.27641	3.0
446.18396	2.8
487.33936	7.8
559.36530	3.9
679.40637	100.0
680.40759	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	680.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06594	73.9
61.98817	100.0
67.99040	75.6
70.22842	66.6
79.71081	75.7
102.27724	86.0
216.68071	89.6
289.91541	73.1
309.64441	79.4
569.17969	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
63.27658	0.8
72.99322	5.0
75.55731	0.7
80.95327	0.7
88.99633	0.7
96.96001	2.4
108.02188	3.0
109.02962	51.3
121.02877	1.1
123.04502	3.8
133.02939	0.9
134.03748	1.8
135.00894	1.0
135.04536	13.7
145.02950	3.2
149.02464	4.2
151.03882	0.8
157.02911	1.4
159.04538	1.6
161.02428	1.4
163.04002	1.0
165.05563	1.5
179.03479	3.2
184.01648	1.5
185.02446	21.1
186.03163	3.7
195.04526	1.1
196.05212	0.9
197.04512	3.9
207.04472	1.7
208.05219	2.6
209.05951	1.7
211.03983	2.7
213.01971	1.2
213.05321	1.0
221.06062	2.9
223.04120	1.3
224.04822	1.8
225.05586	2.5
229.01509	1.0
235.04010	4.4
236.04729	2.4
237.05502	3.2
239.03546	1.1
239.07187	1.8
243.84294	0.9
247.03960	1.9
248.04796	3.3
249.03519	0.9
249.05653	7.2
250.02687	3.3
251.03503	7.9
252.04187	2.8
253.01366	0.9
263.03378	2.7
264.04303	4.4
265.05066	10.0
266.05862	4.7
267.06647	6.2
275.03638	4.0
276.04254	12.7
277.05103	12.2
278.02353	7.3
278.05460	1.5
279.03012	47.8
280.03549	5.1
291.02942	4.2
292.03784	10.8
293.04620	25.0
294.05356	19.6
295.06137	23.8
296.06467	1.2
303.03113	2.9
304.03400	0.9
315.30872	1.0
319.02585	1.9
320.03296	18.1
321.04065	76.8
322.04443	3.6
327.12491	1.3
339.05130	13.0
359.09775	1.3
363.04980	1.1
439.10062	0.9
441.07916	2.5
457.11572	8.9
483.09384	100.0
484.09848	6.4
501.10474	68.2
502.10757	3.6
519.09436	8.6
520.09460	0.8
681.14624	34.6
681.38733	3.4
682.14972	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	681.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
69.48331	0.8
69.48739	1.2
71.01393	1.5
77.04012	0.6
82.96984	0.4
83.01385	0.4
85.02940	0.8
89.03973	0.5
96.96030	2.8
98.22659	0.7
100.55839	0.4
101.02514	1.0
105.03470	1.1
107.05036	0.6
108.02210	0.6
109.02984	1.9
113.02486	1.0
113.11369	0.3
117.03503	2.1
119.05115	0.4
121.02969	1.2
122.03786	0.5
123.00833	0.5
123.04563	0.9
129.75719	0.4
132.02174	2.5
133.02974	40.7
134.03809	3.0
135.04543	27.3
135.05615	0.5
136.01678	13.3
136.04926	0.8
137.02458	1.2
145.02954	1.8
147.04543	1.0
148.05345	0.6
148.47302	0.4
149.06125	1.5
151.04025	11.8
159.04510	0.9
160.01695	1.1
160.05280	0.8
161.02464	100.0
162.02817	2.4
163.04042	1.2
173.06059	0.6
175.04012	2.7
176.04758	1.1
177.05585	4.3
178.02765	0.8
179.03520	18.0
187.04044	0.6
188.04848	0.7
189.05533	0.6
191.07112	1.4
193.05109	1.6
203.03508	1.1
221.04594	3.7
263.05618	0.5
279.06644	1.1
280.05963	0.8
294.08978	0.7
298.08563	1.1
307.02066	0.4
307.08350	1.4
312.10141	0.7
313.10895	4.5
323.07748	27.1
324.08124	1.0
325.10791	0.5
327.12311	1.9
337.09229	0.9
343.11850	3.8
357.13632	0.8
357.87750	0.4
373.12949	4.4
375.12939	0.4
474.73776	0.4
651.21320	0.9
681.21930	63.9
682.22192	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	681.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26569	0.7
53.95677	0.7
59.01390	1.6
69.15058	4.1
69.15453	0.9
71.01380	1.7
72.99320	0.8
85.02973	0.9
93.03448	1.5
96.96013	0.8
101.02475	1.0
104.49759	0.7
108.02200	0.7
109.02959	6.9
117.03478	28.7
119.04249	1.2
119.05044	15.1
123.04545	1.3
133.02974	2.7
134.03752	1.0
135.04543	3.8
136.01665	6.1
139.03947	0.8
145.02966	100.0
146.03337	2.8
148.01709	1.6
149.02463	4.0
150.03185	1.1
151.04031	7.5
153.05569	2.6
159.04541	1.2
161.02466	7.8
161.06114	1.7
161.94287	0.8
163.04025	17.6
164.04787	1.0
166.02707	5.1
175.04047	1.2
177.05630	0.7
178.02730	5.3
179.03510	6.7
179.07140	1.4
181.05086	14.7
187.04091	1.6
193.05095	12.0
205.05045	1.1
211.06113	5.3
223.88387	0.9
254.05588	1.0
269.08054	1.7
270.08945	1.1
299.09201	0.9
307.08264	55.6
308.08667	2.1
313.10959	1.2
323.07675	1.5
329.10300	6.4
343.11917	2.2
359.11362	6.6
489.13748	1.5
501.13977	3.3
519.15161	2.4
542.58380	0.8
657.08899	0.8
681.21863	37.6
682.22229	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	681.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
69.48331	0.8
69.48739	1.2
71.01393	1.5
77.04012	0.6
82.96984	0.4
83.01385	0.4
85.02940	0.8
89.03973	0.5
96.96030	2.8
98.22659	0.7
100.55839	0.4
101.02514	1.0
105.03470	1.1
107.05036	0.6
108.02210	0.6
109.02984	1.9
113.02486	1.0
113.11369	0.3
117.03503	2.1
119.05115	0.4
121.02969	1.2
122.03786	0.5
123.00833	0.5
123.04563	0.9
129.75719	0.4
132.02174	2.5
133.02974	40.7
134.03809	3.0
135.04543	27.3
135.05615	0.5
136.01678	13.3
136.04926	0.8
137.02458	1.2
145.02954	1.8
147.04543	1.0
148.05345	0.6
148.47302	0.4
149.06125	1.5
151.04025	11.8
159.04510	0.9
160.01695	1.1
160.05280	0.8
161.02464	100.0
162.02817	2.4
163.04042	1.2
173.06059	0.6
175.04012	2.7
176.04758	1.1
177.05585	4.3
178.02765	0.8
179.03520	18.0
187.04044	0.6
188.04848	0.7
189.05533	0.6
191.07112	1.4
193.05109	1.6
203.03508	1.1
221.04594	3.7
263.05618	0.5
279.06644	1.1
280.05963	0.8
294.08978	0.7
298.08563	1.1
307.02066	0.4
307.08350	1.4
312.10141	0.7
313.10895	4.5
323.07748	27.1
324.08124	1.0
325.10791	0.5
327.12311	1.9
337.09229	0.9
343.11850	3.8
357.13632	0.8
357.87750	0.4
373.12949	4.4
375.12939	0.4
474.73776	0.4
651.21320	0.9
681.21930	63.9
682.22192	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	681.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	49.2
71.01388	27.8
72.99309	5.8
73.02956	3.1
77.19180	2.0
85.02954	6.3
89.02456	24.9
96.96018	64.9
99.04538	3.9
101.02449	18.7
109.02985	5.5
113.02460	7.7
119.03539	13.2
121.34675	2.0
133.02878	2.5
135.04507	7.9
141.59917	2.0
146.03760	2.8
161.02452	4.3
161.04651	3.0
179.03493	5.9
179.05627	5.1
179.07144	4.6
185.02431	3.0
197.04567	2.9
227.10857	2.0
228.11394	2.8
229.12367	5.6
239.14433	3.2
241.12173	2.6
241.16145	3.4
251.03514	2.1
251.10762	3.0
256.11008	5.9
257.15283	2.3
267.06589	2.9
267.13974	7.5
279.02881	2.8
285.14957	35.0
286.15555	2.3
289.12891	2.7
295.06039	3.3
296.06873	2.3
296.14050	4.9
297.14960	25.9
298.07532	2.3
313.14429	3.5
314.15265	58.2
315.16019	89.4
316.16400	6.2
321.04062	8.1
339.04947	7.1
519.22052	5.6
637.31110	2.6
639.26440	3.5
651.83850	2.8
681.27716	100.0
682.28143	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	681.423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17567	1.3
53.91904	1.3
56.57286	1.3
58.00616	1.3
59.01387	100.0
61.98819	3.9
69.13319	1.2
70.91761	1.2
71.01390	53.4
71.01789	2.6
72.99304	2.5
73.02956	1.6
79.49875	1.3
83.01395	2.9
85.02950	10.8
87.00887	1.6
89.02460	54.8
95.01384	4.1
101.02454	30.5
113.02464	20.3
117.30047	1.2
119.03514	26.5
131.03516	3.3
133.03015	2.4
135.04547	4.9
136.05324	4.9
143.03537	5.8
149.04532	1.8
150.89691	1.3
161.02455	4.8
161.04568	5.3
179.05647	12.3
205.03151	1.3
283.10870	2.9
477.31860	1.5
561.20935	1.4
681.42310	77.3
682.42273	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	683.141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42353	0.9
59.01374	0.8
69.42110	4.4
72.99318	4.4
80.14430	0.7
96.96021	4.7
108.02177	1.2
109.02962	26.2
121.02992	1.0
123.04507	2.0
133.02924	1.1
135.04535	3.1
137.02477	2.1
145.02962	1.4
148.01711	1.1
149.02446	2.8
151.04012	2.5
157.02902	0.9
159.04517	2.1
161.02477	2.4
165.01910	0.9
173.02446	1.7
175.03926	1.8
177.01923	1.0
179.03505	2.2
185.02437	20.4
186.03290	4.7
193.06638	1.3
193.96596	1.0
197.04558	4.0
197.06161	1.2
204.05792	0.9
209.06143	1.5
213.02031	2.5
213.05147	1.1
215.14548	1.0
219.04527	1.8
221.06107	3.8
223.04083	1.6
225.05583	2.5
235.04060	1.5
237.05640	3.2
239.07036	1.9
247.03957	1.8
248.04831	2.7
249.05588	8.8
250.06290	1.7
251.03526	5.8
252.04198	2.5
253.05019	1.1
253.61990	0.9
264.04297	1.9
265.05103	8.8
266.05609	1.4
267.06647	5.5
275.03552	1.6
276.04236	2.4
277.05045	11.6
278.05511	1.0
279.02994	17.9
280.03806	6.4
293.04590	16.5
294.05383	4.2
295.06110	17.3
303.03027	2.3
307.06070	1.0
308.06714	1.0
311.05667	1.8
321.04062	100.0
322.04578	8.9
339.05087	49.3
340.05408	2.4
361.09412	4.9
474.09177	1.4
519.09357	7.4
651.11169	1.5
683.14514	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	683.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99314	45.5
73.69408	0.7
91.05528	0.8
93.03467	3.3
95.05061	2.0
96.96024	1.4
104.45985	0.8
107.05029	2.9
108.02185	21.7
109.02962	5.0
117.03464	1.0
121.02954	8.0
122.03761	1.6
123.04538	35.3
130.50163	0.8
132.02182	1.2
133.02991	3.2
134.03780	5.5
135.04544	72.2
136.04878	1.8
139.03995	3.2
141.03462	0.8
145.02966	5.9
147.04549	2.4
148.01657	1.7
149.02458	21.1
150.03261	6.7
151.04031	16.9
157.02977	3.3
158.03754	1.9
159.04546	4.1
160.01674	1.8
161.02467	2.9
173.02487	1.7
175.04028	2.5
177.01973	1.1
179.03516	42.3
185.02458	37.0
186.03212	10.7
190.02733	0.9
193.06664	1.1
197.04567	71.2
198.04919	1.9
201.01944	1.7
208.05345	2.2
209.06125	2.3
211.04019	1.7
211.07756	1.1
212.04846	1.1
213.01961	1.5
219.04659	3.8
220.05351	4.0
221.06131	1.0
224.04855	1.5
225.05556	1.0
227.07237	1.2
231.04572	1.5
232.05328	2.1
233.06096	1.0
235.04042	3.4
236.04729	5.7
237.05602	3.0
238.06242	1.2
247.04008	6.5
248.04836	8.8
249.05530	3.1
251.03435	2.8
254.85283	0.9
255.06648	4.5
260.04788	3.0
261.05551	2.4
263.03482	5.0
263.07135	2.0
264.04269	12.6
265.05099	6.8
266.05933	4.8
267.06705	1.8
275.03543	5.6
276.04312	10.5
277.05096	6.6
278.05685	2.3
279.03015	7.4
283.06076	1.8
285.07697	6.4
289.05142	1.7
290.05859	1.1
291.03018	6.0
291.06549	3.0
292.03772	19.6
293.04559	20.4
294.05301	10.6
295.06152	1.4
303.03000	2.0
304.03735	7.0
305.04492	3.6
305.71463	0.8
307.06085	9.8
308.06671	1.9
309.07745	11.9
311.05569	2.2
317.04514	3.2
319.02377	4.2
320.03253	21.8
321.03915	4.3
325.07153	1.0
329.06693	50.1
330.06992	2.9
335.05630	73.0
336.05969	4.5
339.05231	2.5
347.07785	2.6
349.03442	2.4
353.06702	100.0
354.06863	5.8
359.07578	0.9
361.03510	1.4
381.07416	1.1
397.07166	1.8
398.07932	1.8
415.12161	1.6
425.06866	1.7
426.07196	1.6
441.09851	24.9
442.10306	2.1
457.09464	1.4
459.11035	2.7
485.08841	45.6
486.09396	6.2
487.09927	1.5
533.10846	6.8
534.10828	1.1
683.13965	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16216	2.1
60.43604	1.8
71.90383	1.8
72.99320	41.5
72.99734	1.4
82.20252	1.8
83.10029	1.8
93.03497	2.0
107.05009	2.6
108.02192	25.2
109.02973	9.3
117.03487	3.1
121.03001	8.8
122.03786	3.0
123.04535	39.9
123.05382	3.0
129.88774	1.9
133.02974	3.0
134.03741	7.5
135.04538	75.9
136.04861	3.2
137.90178	1.9
139.04071	4.3
145.02959	4.5
146.03746	1.8
147.04524	3.0
148.01656	2.2
148.52744	1.9
149.01637	1.7
149.02472	20.5
150.03214	6.2
151.04047	14.5
159.04500	4.5
161.02431	4.1
173.02467	2.1
175.04071	2.0
179.02031	3.4
179.03514	43.2
185.02451	45.5
186.03255	10.6
197.04570	65.9
198.04848	2.9
209.05998	3.0
219.04419	3.1
220.05290	2.5
235.04030	5.1
236.04810	5.6
237.05585	3.4
247.04028	3.5
248.04742	9.4
249.05606	3.9
251.03394	3.8
255.06631	5.1
260.04700	2.9
263.03561	3.1
264.04288	7.3
265.04950	10.3
266.05811	6.0
267.06738	2.4
275.03549	5.9
276.04214	12.3
277.05106	6.4
279.03012	6.2
279.06317	2.0
280.03378	2.3
285.07733	7.6
291.03149	4.6
292.03799	17.4
293.04602	20.5
294.05344	11.1
295.06082	3.5
303.02948	2.1
304.03818	4.3
305.04507	2.3
307.06219	9.8
309.07706	15.1
311.05972	3.1
319.02518	2.5
320.03323	18.9
321.03900	9.9
329.06662	50.5
330.06741	2.6
335.05655	66.0
336.06018	3.4
336.19498	1.8
339.05182	4.4
347.08102	2.3
349.03583	4.1
353.06671	100.0
354.06931	8.1
354.63132	2.0
409.34564	1.9
415.12140	3.1
441.09967	25.1
442.10513	2.6
459.11209	3.0
485.08801	43.7
486.09134	3.9
533.10925	7.4
552.92859	1.9
683.14453	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	683.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47243	0.3
59.01405	0.5
62.15828	0.4
71.01391	1.2
72.99311	7.6
80.90492	0.4
91.05553	0.5
101.02490	0.4
105.03461	0.5
107.05041	1.2
109.02938	1.0
113.02382	0.5
117.03493	0.4
123.04523	3.2
130.99333	0.4
132.02205	1.2
133.02972	24.6
134.03780	4.2
135.04539	83.5
136.04893	1.3
149.06129	0.5
161.02460	100.0
162.02779	2.6
175.04012	0.7
177.01714	0.4
177.05624	1.7
179.03513	74.2
180.03853	1.7
197.04549	9.4
197.06337	0.5
198.04861	0.5
203.03583	0.9
221.04520	2.5
233.22725	0.4
263.05713	0.8
273.21811	0.4
323.07745	27.0
324.08044	0.9
341.08951	1.9
359.07745	14.1
360.08087	0.6
485.10934	5.6
503.12015	31.0
504.12473	1.4
521.13147	2.0
538.63721	0.4
683.16211	19.8
684.16772	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	683.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92383	0.9
56.94763	0.8
69.50792	3.5
71.01392	1.1
72.99316	14.6
99.75204	1.0
107.05056	1.2
117.03487	2.6
117.87620	0.9
123.04524	5.4
133.02979	20.0
134.03761	5.1
135.04543	94.0
136.04849	3.3
145.03012	4.3
161.02463	100.0
162.02852	2.3
177.05605	1.4
179.03517	65.1
180.03818	1.8
197.04567	24.6
203.03601	1.0
221.04510	3.3
226.65169	0.9
307.08298	2.1
323.07767	24.7
341.08798	3.4
359.07730	9.9
442.45221	0.9
455.60004	0.8
462.92371	1.0
485.10922	3.7
492.18927	1.2
503.11975	64.4
504.12341	4.7
521.13068	31.6
522.13220	1.7
653.35339	1.2
683.16046	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	683.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65640	0.5
59.01373	0.7
72.98901	1.0
72.99314	19.8
87.00909	0.5
88.99845	0.4
90.48788	0.4
91.05536	0.5
96.96004	0.4
107.05035	1.3
109.02953	2.0
109.03633	0.4
112.98804	0.5
114.93580	0.4
117.03471	0.4
119.05117	0.4
121.02943	0.5
123.04529	6.1
133.02969	6.9
134.03748	4.6
135.04538	100.0
136.04863	2.1
145.02972	1.0
147.04541	0.9
149.00929	1.1
149.02406	0.4
151.04048	1.5
159.04507	0.4
161.02458	28.2
162.02800	0.7
163.03975	0.6
175.03984	0.5
177.01997	0.4
179.03510	37.4
180.03865	1.1
193.05049	1.5
197.04567	31.8
198.04916	0.7
250.96764	0.5
256.07541	0.6
266.05930	0.6
267.44946	0.4
271.09750	1.2
283.09900	0.6
294.05154	0.6
307.08279	0.8
309.07687	2.3
323.07755	1.1
327.08655	0.9
335.09259	0.6
341.08853	5.7
345.09775	2.8
353.06677	1.6
359.10236	38.5
360.10001	1.5
372.13181	0.5
389.08719	2.8
392.42935	0.4
485.13248	0.5
503.14224	1.2
507.12976	0.7
521.13049	23.0
522.13391	1.7
534.71344	0.4
683.18475	4.5
684.18445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.3
61.36396	1.8
61.98823	3.5
63.01478	1.8
63.59472	1.7
69.14313	13.2
76.86176	1.9
88.98808	2.0
106.15170	2.1
133.02982	21.5
134.03755	8.3
135.04543	73.7
137.02440	2.0
148.01669	5.3
156.77248	2.1
161.02464	2.2
177.01958	15.4
179.03510	62.9
207.03009	10.2
240.08109	2.3
255.13858	3.8
281.11740	2.5
283.13324	2.7
286.82611	2.0
317.21277	4.0
385.14420	2.5
399.16528	3.0
433.16745	2.2
443.15070	2.6
471.14331	2.5
473.16431	4.2
475.17596	4.7
485.15982	6.0
487.17834	24.5
488.18127	3.4
503.17145	100.0
504.17410	8.0
521.18231	31.6
522.18402	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	683.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71457	1.1
58.00597	1.4
59.01383	47.3
65.68434	0.9
65.89640	1.0
71.01388	29.2
71.40482	1.2
73.02946	1.7
83.01385	1.6
85.02965	4.3
87.00896	1.2
88.36653	1.0
89.02455	37.1
89.34204	1.1
90.96008	1.3
95.01392	2.3
101.02458	16.9
113.02452	11.1
119.03522	14.8
131.03528	1.3
135.04539	1.6
143.03543	3.3
143.89508	1.2
161.04549	4.1
179.05614	22.6
191.05682	1.6
300.66409	1.1
326.77435	1.1
341.10901	100.0
342.11282	3.1
417.33771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17245	0.6
59.01374	1.9
65.12166	0.6
69.69424	2.6
71.01388	0.9
72.99315	1.3
81.03467	2.6
87.45370	0.7
93.03473	2.4
99.04523	4.0
102.62742	0.5
112.48814	0.6
114.41531	0.7
117.03471	2.3
121.02972	4.0
122.03762	11.3
122.94544	0.7
123.04571	0.9
133.02997	5.7
134.03734	0.8
135.04539	34.3
136.01622	0.7
136.04820	1.8
149.02458	24.9
150.03242	78.6
151.03653	1.4
161.02458	13.9
164.04793	5.5
165.05583	100.0
166.05933	2.5
179.03528	3.2
179.22449	0.6
180.04285	6.0
195.06644	91.8
196.07001	2.3
249.11449	0.7
255.25830	0.7
263.12857	2.2
314.11633	2.4
323.07730	2.2
329.13986	11.5
359.07617	1.6
377.15939	2.1
396.15692	2.0
411.12817	1.0
411.18182	20.4
412.18439	2.4
459.20282	6.6
460.20187	0.8
485.10953	11.3
486.11032	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	683.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44036	1.3
54.08083	1.6
59.01389	53.4
61.98819	1.5
62.07763	1.2
66.71401	1.5
69.23892	6.0
71.01388	5.8
72.99315	4.5
80.05053	7.4
89.02465	4.5
101.02438	2.9
104.05102	2.5
106.06621	9.5
109.02912	2.6
119.03473	3.0
120.08195	4.3
121.05344	3.4
122.06139	20.4
130.06648	3.1
132.04552	2.3
133.02966	17.2
134.06148	49.3
135.04541	8.1
135.06520	1.7
136.96512	1.6
144.64180	1.5
146.06152	2.2
148.04106	2.4
149.02489	2.3
149.89929	1.7
152.07158	3.3
160.04111	3.9
160.06409	8.3
161.02501	14.1
161.04843	2.2
174.05630	6.3
177.01958	6.3
179.03525	4.1
190.05182	2.1
198.13126	1.5
200.07230	1.8
211.08824	2.1
213.10367	38.4
219.03171	1.7
223.08836	2.1
225.10371	5.7
226.11089	4.7
227.11824	4.1
236.09459	2.0
237.10301	2.2
239.11916	29.8
240.12354	1.8
241.13480	21.1
249.10199	2.7
251.11914	7.1
253.13513	2.6
265.09937	2.9
267.11502	3.7
277.09943	10.8
278.10510	3.0
279.11490	3.5
285.12473	78.7
286.12866	2.7
287.13892	2.1
291.07837	2.8
293.09711	2.5
293.12964	9.5
295.10895	6.0
305.09351	10.3
307.10910	5.4
316.14719	2.2
328.10931	4.7
337.12064	5.0
342.12537	3.9
343.13287	6.1
344.14059	5.3
354.12634	2.4
355.13110	8.7
356.14087	7.5
356.17935	2.2
357.14865	7.1
358.15631	31.0
365.11438	11.3
367.13013	3.7
368.14081	2.8
369.14630	4.2
370.11813	3.6
370.15707	6.5
372.17270	1.9
383.12347	2.1
384.13409	6.0
385.14221	2.9
397.14157	7.3
398.14752	2.8
399.15829	3.2
400.16733	21.1
412.16605	6.4
433.16849	1.8
441.57300	1.7
476.18234	1.7
490.20023	2.2
491.20670	7.7
503.17429	2.7
503.24551	4.3
505.22186	7.8
539.26691	7.9
547.23633	26.9
548.24146	2.6
565.24542	25.3
566.24963	2.9
579.25122	2.0
583.25513	2.0
591.22485	18.0
607.25702	85.2
608.25787	8.2
609.23358	3.6
610.24280	10.8
623.25153	5.9
639.28192	2.9
651.24670	100.0
652.25110	13.1
682.42523	4.8
683.27295	33.3
683.41986	3.4
684.27869	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	683.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	42.5
61.98837	2.7
69.50220	2.9
79.48230	0.5
80.05070	4.5
92.05079	1.1
94.06654	1.3
97.87754	0.6
104.05109	1.7
106.06648	7.3
108.04575	1.0
120.04572	2.0
120.08224	3.6
121.05370	3.6
122.06149	21.0
123.06487	0.8
130.06648	2.0
132.04590	1.6
134.06143	37.1
135.04553	0.9
135.06454	0.6
136.07640	0.7
146.06143	1.4
148.04045	0.7
148.07729	0.9
152.07161	3.1
152.71832	0.7
158.02480	0.7
158.06100	0.8
159.05684	0.7
159.37428	0.6
160.04063	2.5
160.06447	10.0
160.07655	1.0
161.02515	1.0
161.04855	1.6
173.04787	0.9
174.05618	5.0
190.05133	2.0
194.08241	0.7
197.07202	1.1
197.93582	0.6
198.12987	1.6
200.07172	1.0
202.69522	0.7
210.07893	0.6
211.08801	1.6
213.10361	44.4
214.10718	1.6
223.08882	2.0
224.09521	0.6
225.10359	4.3
226.11150	5.4
227.11940	4.7
233.07231	0.6
235.08786	1.0
236.09554	1.4
237.10397	1.6
239.11925	23.3
240.12463	0.8
241.13496	24.4
247.08659	0.6
249.10382	3.0
251.11946	5.7
253.13475	1.2
262.07510	0.8
263.08243	1.5
263.12085	0.8
264.09000	1.1
265.09894	1.4
267.11420	2.9
277.09848	10.9
278.10623	1.8
279.11368	2.0
283.10739	0.9
285.12485	96.4
286.12778	3.9
287.14096	2.2
291.07721	1.1
291.11404	0.7
293.09656	1.2
293.12973	12.0
295.10931	5.1
300.11429	0.7
305.09372	9.2
306.10077	1.7
307.10892	4.3
309.12338	0.7
314.12796	1.0
316.14560	2.7
321.12518	1.0
327.09900	0.8
328.10965	3.3
328.14404	1.4
330.12531	1.0
330.16116	0.9
332.17621	1.2
337.12054	5.3
340.14563	2.1
342.12534	2.8
342.16144	1.0
343.13312	3.3
344.14050	1.3
355.13037	5.8
356.14050	2.2
356.17899	1.4
357.14993	3.5
358.15634	23.2
359.16064	2.1
365.11481	13.2
367.13031	3.1
368.14078	1.2
369.14731	2.2
370.11862	2.6
370.15689	2.4
371.16544	0.9
372.17325	1.4
382.11761	0.8
382.15860	1.1
383.12311	0.9
384.13147	4.5
384.17358	1.6
385.14178	2.3
397.14108	9.0
398.14975	2.0
399.15704	1.8
400.16696	18.5
401.17044	1.4
410.14932	0.9
412.16718	6.4
443.14462	0.7
451.25439	1.0
461.16245	0.8
475.17749	1.5
479.24515	0.9
489.19467	0.9
490.20428	1.2
491.20898	3.5
503.24966	1.1
504.21652	1.0
505.22705	6.3
506.23071	2.0
519.24298	1.1
523.23425	1.0
539.26471	3.9
547.23547	23.1
548.23810	2.5
563.26385	0.8
565.24567	19.4
566.25110	1.7
573.21484	1.2
579.25909	0.7
583.25525	2.2
591.22516	13.3
607.25702	94.2
608.25970	8.1
609.23389	1.7
610.24719	3.7
611.25494	1.0
623.24915	3.2
633.23438	1.0
651.24701	100.0
652.24847	8.9
683.27277	18.4
684.27423	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	683.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99292	11.3
84.05146	9.9
102.05884	9.8
109.02933	17.7
121.67277	9.5
133.02921	12.8
135.04533	30.1
137.99104	10.2
161.02440	34.2
179.03441	16.1
185.02443	13.0
197.04593	11.3
197.08534	9.6
236.17955	10.5
285.34958	10.5
321.04108	18.7
467.31546	19.8
485.32828	100.0
683.34778	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	684.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35202	1.3
59.01396	1.9
62.73088	1.3
70.66084	2.4
71.01376	1.7
71.22086	1.4
72.99312	1.2
73.71208	1.6
93.03480	1.4
121.14313	1.5
133.02969	3.4
135.04521	4.3
161.02475	6.2
179.03494	2.3
183.13928	5.2
211.13416	100.0
212.13759	3.1
235.07999	1.8
246.14639	1.5
253.09312	3.5
378.34338	1.6
429.20987	1.8
447.22528	9.3
468.62091	2.0
485.32501	1.5
623.34149	5.0
641.35638	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	684.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
59.42633	1.5
61.98833	3.4
68.46579	1.9
72.73298	1.7
74.42442	1.8
135.04538	2.6
148.90855	1.6
152.02991	1.7
161.02472	3.4
162.83940	2.8
171.56352	1.6
174.39815	2.0
183.13902	5.5
191.12660	1.6
195.63927	1.7
197.04863	1.6
211.13417	100.0
212.13768	3.8
253.09326	3.8
253.27814	1.8
447.22464	9.6
561.60864	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	685.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23454	1.8
57.01957	2.1
59.01381	2.9
72.99319	10.3
81.03466	2.0
96.63291	1.8
96.96022	23.6
101.02419	2.1
108.02185	3.3
109.02962	32.7
111.01009	1.8
116.92851	2.5
121.02955	2.4
123.04504	4.9
133.02982	3.3
135.04544	15.6
137.02460	21.6
145.03026	2.3
147.04596	3.4
149.02481	3.6
151.04022	3.6
158.61787	1.9
159.04497	4.7
161.02458	6.6
165.01953	35.7
171.51210	1.9
173.02463	5.4
175.04057	3.2
179.03485	4.6
185.02475	27.9
186.03212	5.7
193.06557	2.1
197.04556	9.8
201.01814	2.6
219.02943	2.5
221.06085	7.5
232.05307	2.2
235.03995	3.4
237.05539	4.6
248.04855	3.2
249.05594	12.2
251.03432	7.3
264.04172	3.1
265.05109	9.4
266.05701	3.3
267.06625	6.3
277.05054	15.9
279.03085	17.0
280.03619	4.2
293.04608	24.2
294.05194	4.9
295.06152	23.8
303.03116	3.1
309.88708	2.3
309.94745	2.2
321.04074	100.0
322.04416	6.8
339.05069	31.9
345.06097	7.2
353.06680	4.2
368.67041	1.8
519.09296	8.2
649.39429	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	685.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
64.82545	0.9
69.69920	2.1
69.70309	1.9
72.99314	7.4
79.36083	0.8
93.03451	1.4
96.96022	24.8
98.95615	5.5
105.03465	0.9
107.05029	1.0
108.02190	3.2
109.02965	57.2
109.36891	1.0
110.03290	1.8
119.01391	2.0
119.05023	1.7
121.02967	5.7
123.00906	1.5
123.04536	2.9
133.02937	2.3
134.03772	2.3
135.04553	13.2
137.02509	4.3
145.02954	2.2
147.00903	8.3
147.04526	4.6
148.01663	1.5
149.02403	5.0
151.04039	3.9
157.02969	2.0
159.04526	5.7
161.02499	3.9
162.03172	1.5
163.04019	2.9
165.01927	2.6
173.02440	2.5
175.04030	1.3
177.01917	1.5
179.03523	4.6
183.79694	0.9
185.02463	28.4
186.03230	9.1
187.03880	0.8
190.02660	1.3
191.03513	2.2
193.06577	1.0
197.04576	1.6
208.05321	1.0
209.06064	2.5
211.07680	1.1
221.06068	2.9
224.04791	2.9
225.05611	4.5
227.07246	1.0
232.05237	1.1
237.05566	1.3
238.06432	0.8
239.07133	2.6
248.04842	1.9
249.05588	6.6
250.06210	2.3
251.03517	2.4
251.07040	1.2
252.04263	3.6
253.05104	1.0
265.05136	2.3
266.05786	2.5
267.06619	8.4
269.08173	2.2
271.06134	3.2
276.04196	2.2
277.05057	11.1
278.05746	1.3
279.03061	5.9
280.03778	7.2
283.06186	3.2
292.03760	1.0
293.04605	7.0
294.05313	1.9
295.06134	31.5
296.06403	2.1
299.05640	13.4
305.04327	1.1
321.00476	1.5
321.04053	14.3
322.04388	1.2
327.05029	7.7
335.05472	1.2
339.05115	74.9
340.05411	5.0
345.06174	100.0
346.06589	5.0
353.06772	2.9
357.06158	2.3
357.20624	1.2
487.10818	0.9
503.10123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36975	0.5
57.64268	0.5
60.99308	0.6
62.50175	0.5
66.10735	0.4
70.83453	0.5
72.99310	4.0
79.80327	0.5
88.98820	3.1
96.96004	4.0
98.21889	1.2
107.05026	0.5
108.02209	2.5
109.02965	20.6
113.82106	0.5
119.05054	0.7
121.02985	1.0
123.04543	1.9
133.02966	0.8
134.03720	1.1
135.04543	5.2
136.01695	1.4
137.02464	17.0
137.03513	1.1
145.03009	0.7
147.00967	0.9
147.04536	1.8
149.02458	1.5
151.04082	0.7
155.08459	0.6
157.02934	2.5
158.03764	0.8
159.04568	1.8
160.01584	1.0
161.02449	1.3
165.01949	44.6
166.02322	0.6
172.25647	0.5
173.02466	1.9
175.04065	0.8
179.03528	2.6
184.01701	0.9
185.02464	21.3
186.03185	3.8
193.06570	1.3
197.04567	2.3
209.06114	1.8
219.04596	0.8
220.05267	1.9
221.06102	4.6
223.04179	1.0
223.07436	0.6
224.04976	0.7
225.05537	1.3
232.05307	1.4
233.06277	0.7
235.03969	1.2
237.05457	2.8
239.07178	1.4
247.03967	2.2
248.04863	3.4
249.05608	9.5
250.02803	0.8
250.06000	1.1
251.03510	4.6
252.04233	0.7
254.05608	0.6
263.03177	0.7
264.04230	1.5
265.05038	6.9
267.06662	1.7
269.15570	0.6
269.81357	0.5
275.03543	1.6
276.04269	1.1
277.05093	11.4
278.05545	0.8
279.03040	12.7
280.03732	2.4
281.04468	0.7
292.03693	1.0
293.04617	15.7
293.07956	0.9
294.05148	1.1
295.06152	13.5
296.06543	0.7
299.05533	1.4
299.16464	0.6
303.03015	2.4
304.03638	0.8
321.04071	100.0
322.04422	4.4
327.04910	0.7
335.05627	0.7
339.05112	20.7
340.05563	1.1
345.06253	7.1
347.18784	1.5
353.06686	1.2
443.07553	1.0
503.09933	2.4
519.09265	4.7
551.24542	0.9
685.11993	2.4
689.71375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37625	1.0
59.01379	1.2
67.01894	1.0
71.01375	1.4
72.99309	7.4
80.02610	0.8
81.03420	0.9
88.84275	0.9
93.03462	2.9
96.96030	5.4
108.02169	1.9
109.02959	54.2
121.02930	2.8
123.04539	4.9
133.02986	2.6
134.03761	2.9
135.04541	21.2
137.02458	100.0
138.02876	1.3
139.03984	1.2
145.02968	1.3
147.04527	3.9
149.02443	1.9
151.04025	2.2
157.02937	4.9
159.04527	1.3
161.02460	3.5
163.00333	1.0
163.04034	1.1
165.01952	48.6
171.85742	0.9
173.02429	4.4
175.03969	1.7
177.01959	1.0
179.03502	9.1
182.17311	0.9
183.65773	0.9
185.02448	75.5
186.03218	12.0
190.99928	1.9
191.06909	1.0
193.04991	0.9
193.06676	1.7
197.04562	6.6
201.01912	1.2
207.02979	1.8
213.02055	1.3
219.04648	1.5
220.05374	1.8
221.06032	4.9
223.04007	1.8
224.61069	0.9
225.05507	1.3
232.05246	1.8
233.06058	2.2
235.03871	2.0
235.07709	25.0
237.05652	2.6
247.04033	1.3
248.04820	4.1
249.05579	11.0
251.03502	4.2
251.07185	2.0
252.04308	1.8
260.04739	1.0
261.05627	1.8
263.03360	1.2
263.04120	1.3
263.07147	13.2
264.04282	2.2
265.04971	6.4
267.06644	3.5
275.03384	1.6
276.04459	2.2
277.05063	11.7
279.03058	21.1
279.06363	2.7
280.03638	4.0
281.04428	1.2
289.05188	1.2
291.03058	1.2
292.03717	1.7
293.04617	18.6
294.05161	2.1
295.06110	49.7
296.06366	2.1
303.02942	2.3
305.04648	1.2
307.06155	56.4
308.06580	2.1
311.05771	1.6
319.02429	1.1
319.22812	1.4
320.03159	1.0
321.04053	94.4
322.04193	5.9
323.05615	8.1
329.06677	1.4
335.05695	3.4
336.85031	1.1
339.05112	19.5
340.05472	2.0
351.05368	1.6
353.06528	2.2
487.10526	38.7
488.10425	2.5
503.10455	1.3
519.09277	13.4
520.09540	1.2
533.10706	1.2
649.39948	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	685.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08022	0.7
54.23308	0.5
68.48851	0.6
69.37558	1.3
69.37946	1.6
72.99313	11.4
73.04990	0.6
87.00886	2.5
93.03460	0.6
97.02934	0.9
107.05058	2.3
108.02159	1.3
109.02934	4.2
112.98793	1.1
115.00384	2.3
122.03747	5.5
123.04549	5.8
124.01695	1.4
126.97015	0.6
133.02983	5.0
134.03764	6.8
135.04539	100.0
136.04855	2.6
137.02454	2.1
139.04034	6.7
145.02942	0.9
147.04543	1.7
148.05334	1.7
149.00880	1.0
149.02483	1.2
149.06169	0.8
150.03291	1.2
151.04025	1.1
153.01935	0.9
160.01747	1.2
160.99648	0.6
161.01135	0.6
161.02477	11.1
161.06085	2.2
165.01959	6.5
174.03302	1.1
175.04053	2.7
178.02757	0.9
179.03511	48.3
180.03897	1.3
193.05043	2.0
197.04568	21.9
197.06400	1.1
202.69170	0.6
226.06374	0.8
233.04518	1.5
237.05737	0.7
241.05032	1.2
242.05920	2.7
254.05840	2.6
255.06731	3.0
255.10123	0.6
257.05908	0.7
257.08041	3.3
265.05197	0.8
267.06845	1.2
268.07477	1.1
269.08185	5.4
270.08972	4.3
271.02585	0.9
281.07962	0.7
283.09866	1.7
285.11349	16.9
293.04419	1.1
295.04816	2.1
296.06998	4.2
300.02795	2.0
301.03497	0.9
311.09259	8.9
318.37650	0.7
329.10284	2.7
355.08276	14.9
356.08636	1.4
359.07758	6.4
373.09280	24.1
374.09763	1.1
387.09344	7.7
509.14642	9.1
510.15222	1.1
523.11908	0.6
553.13556	20.1
553.22192	1.0
554.13800	2.0
595.12994	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	685.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03516	1.1
72.99311	4.1
91.58385	1.0
91.84236	1.1
93.03441	1.4
99.08089	1.1
108.02191	11.8
109.02971	7.5
117.03439	1.4
121.02934	1.7
123.04536	18.2
133.02930	2.3
134.03729	1.7
135.04535	22.1
137.02458	1.6
139.04021	2.3
140.20337	1.1
145.02954	8.8
147.04517	2.8
149.02425	2.1
150.03242	5.6
151.04034	7.9
157.02971	2.5
159.04538	4.3
160.01666	2.1
161.02451	3.8
173.02454	1.6
175.03998	3.7
177.01947	2.0
179.03497	4.8
185.02463	35.8
186.03244	7.7
189.09219	1.7
191.05150	1.4
197.04619	3.6
201.01982	1.3
208.05287	2.3
209.06102	2.4
213.01936	1.2
219.04488	5.1
220.05370	6.0
232.05417	3.2
235.03999	4.5
236.04785	6.9
237.05586	3.1
238.06306	1.3
247.04027	6.4
248.04782	13.5
249.05557	4.0
250.02890	1.7
251.03508	2.9
252.04489	1.9
260.04761	4.6
261.05530	1.7
263.03531	6.5
263.07169	3.2
264.04227	11.5
265.05130	8.6
266.05872	6.8
267.06464	1.3
275.03494	6.2
275.37851	1.2
276.04257	13.7
277.05112	11.5
278.05753	1.4
279.03015	4.6
279.06320	1.4
280.03543	1.8
281.08163	1.3
283.06003	1.6
288.78613	1.2
291.03000	5.8
291.06662	3.5
292.03799	25.1
293.04572	16.2
294.05353	15.4
295.06122	6.0
303.03024	2.6
304.03839	5.8
305.04413	2.5
306.05365	1.9
307.06195	11.4
309.07651	18.3
310.07907	1.3
319.02490	4.3
320.03259	25.1
321.03922	8.5
321.07486	2.5
335.05630	64.1
336.05865	2.1
339.05215	8.7
353.06689	100.0
354.07034	3.0
417.13260	2.0
443.11526	3.7
461.12357	6.0
487.10413	68.1
488.10696	5.0
503.10004	1.9
505.11743	3.7
523.14233	3.4
533.10962	15.7
577.12390	1.2
712.04529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66777	0.4
61.07747	0.5
69.21311	2.9
71.12591	0.5
72.99318	1.7
83.95544	0.5
93.03464	11.3
96.96030	0.9
108.02157	0.8
109.02965	30.0
113.03970	0.7
115.05585	0.5
119.05038	6.8
121.03028	0.7
123.04519	0.9
133.02927	0.6
135.04543	5.9
137.02449	0.6
145.02950	2.2
147.04532	2.2
149.02469	1.5
151.04021	0.5
152.62303	0.5
157.02974	2.8
158.03772	0.9
159.04518	2.8
161.02510	1.4
163.03999	4.3
173.02460	1.6
175.04059	2.5
179.03510	0.9
181.05083	7.3
184.01657	0.6
185.02451	34.1
186.03200	7.4
193.06601	1.8
197.04645	1.1
201.01955	0.8
203.03506	0.8
204.05821	1.5
205.06627	0.9
209.06046	0.9
213.05608	0.9
219.04607	1.0
220.05225	1.2
221.06088	5.1
223.04021	1.4
223.07567	0.6
224.04811	0.8
225.05630	2.0
229.01532	0.6
232.05299	2.5
233.06013	4.3
236.04817	1.3
237.05632	2.1
237.09221	0.9
239.07106	1.0
247.04051	1.3
248.04750	3.6
249.05573	10.2
249.08018	0.7
250.02702	0.8
250.06342	1.1
251.03470	5.5
251.07224	1.9
252.04250	2.1
253.05042	1.3
254.05646	0.6
260.04785	1.6
261.05618	3.8
263.03479	1.3
264.04364	1.7
265.05057	7.8
266.05783	1.8
267.06686	3.7
275.03497	1.5
276.04303	3.0
276.97214	0.5
277.05057	15.5
278.02344	0.7
278.05576	1.4
279.03000	14.5
279.06607	6.3
280.03833	5.7
293.04587	11.3
293.07953	0.6
294.05093	0.8
295.06119	20.9
296.06409	1.2
297.11346	0.6
303.03101	2.2
304.03629	0.6
305.04572	28.6
306.04950	1.6
321.04053	100.0
322.04456	4.7
323.05643	19.2
324.06091	0.9
339.05099	32.7
340.05478	2.0
345.06168	0.9
353.06708	1.1
461.12646	0.7
477.11642	0.9
487.10431	15.6
488.10825	1.1
503.09872	34.4
504.10123	3.0
712.84210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60115	0.8
59.01377	5.7
71.01383	2.1
72.99315	6.2
73.02955	3.6
91.01796	0.9
93.03442	0.9
96.96017	1.0
101.02447	4.0
108.01408	1.1
108.02174	10.0
109.02979	9.8
120.58003	1.0
121.02981	2.0
123.04546	15.3
132.02184	1.0
133.02965	1.9
135.04524	11.8
136.58160	1.0
137.02451	1.2
138.10306	1.0
139.04004	1.6
143.03625	1.0
144.02217	1.0
145.02971	8.1
147.04539	1.6
149.02473	4.8
150.03230	4.1
151.04013	6.9
157.03041	1.0
158.03754	1.9
159.04486	2.9
160.01657	2.8
161.02434	4.9
173.02475	1.8
175.04012	3.3
177.01970	2.8
179.03569	6.1
185.02464	26.2
186.03300	5.8
197.04594	5.0
203.03624	1.1
203.05527	1.7
208.05316	2.4
209.06062	1.1
213.01932	1.8
219.04608	5.4
220.05258	5.0
221.06306	1.4
223.04118	1.5
224.04716	1.2
232.05267	2.6
235.03984	6.5
236.04778	8.6
237.05504	2.7
238.06308	1.6
247.04074	7.4
248.04805	14.8
249.05481	4.2
251.03465	2.6
255.83208	1.0
260.04770	4.3
261.05457	2.0
263.03500	4.9
263.07101	2.5
264.04312	17.8
265.05060	8.3
266.05847	6.4
267.06638	2.6
275.03506	7.8
276.04288	16.1
277.05042	11.8
278.05722	2.3
279.02991	4.6
279.06464	1.5
280.03568	1.3
281.08139	1.8
283.05960	1.1
291.03006	7.8
291.06607	3.0
292.03802	28.9
293.04584	13.5
294.05368	16.1
295.06088	3.8
298.40985	0.9
303.02979	3.8
304.03851	6.4
305.04495	3.6
306.05432	1.7
307.06241	15.4
307.09650	1.8
309.07733	16.9
319.02591	5.1
319.05850	1.8
319.22800	39.0
319.26523	2.2
320.03232	26.5
321.03931	7.9
321.07666	4.3
322.04376	1.2
333.24170	1.1
335.05621	49.1
336.05991	2.3
339.05154	5.1
353.06696	91.8
354.07098	2.9
361.23904	4.2
417.13510	3.1
443.11588	5.3
461.12454	10.0
487.10379	100.0
487.34006	3.4
488.10663	5.1
505.11542	7.2
649.38867	1.1
685.37939	1.1
707.70410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03516	1.1
72.99311	4.1
91.58385	1.0
91.84236	1.1
93.03441	1.4
99.08089	1.1
108.02191	11.8
109.02971	7.5
117.03439	1.4
121.02934	1.7
123.04536	18.2
133.02930	2.3
134.03729	1.7
135.04535	22.1
137.02458	1.6
139.04021	2.3
140.20337	1.1
145.02954	8.8
147.04517	2.8
149.02425	2.1
150.03242	5.6
151.04034	7.9
157.02971	2.5
159.04538	4.3
160.01666	2.1
161.02451	3.8
173.02454	1.6
175.03998	3.7
177.01947	2.0
179.03497	4.8
185.02463	35.8
186.03244	7.7
189.09219	1.7
191.05150	1.4
197.04619	3.6
201.01982	1.3
208.05287	2.3
209.06102	2.4
213.01936	1.2
219.04488	5.1
220.05370	6.0
232.05417	3.2
235.03999	4.5
236.04785	6.9
237.05586	3.1
238.06306	1.3
247.04027	6.4
248.04782	13.5
249.05557	4.0
250.02890	1.7
251.03508	2.9
252.04489	1.9
260.04761	4.6
261.05530	1.7
263.03531	6.5
263.07169	3.2
264.04227	11.5
265.05130	8.6
266.05872	6.8
267.06464	1.3
275.03494	6.2
275.37851	1.2
276.04257	13.7
277.05112	11.5
278.05753	1.4
279.03015	4.6
279.06320	1.4
280.03543	1.8
281.08163	1.3
283.06003	1.6
288.78613	1.2
291.03000	5.8
291.06662	3.5
292.03799	25.1
293.04572	16.2
294.05353	15.4
295.06122	6.0
303.03024	2.6
304.03839	5.8
305.04413	2.5
306.05365	1.9
307.06195	11.4
309.07651	18.3
310.07907	1.3
319.02490	4.3
320.03259	25.1
321.03922	8.5
321.07486	2.5
335.05630	64.1
336.05865	2.1
339.05215	8.7
353.06689	100.0
354.07034	3.0
417.13260	2.0
443.11526	3.7
461.12357	6.0
487.10413	68.1
488.10696	5.0
503.10004	1.9
505.11743	3.7
523.14233	3.4
533.10962	15.7
577.12390	1.2
712.04529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04155	0.6
59.01364	0.8
61.98844	0.8
62.21088	0.6
69.17695	4.0
72.99316	6.2
93.03506	0.9
96.95994	1.4
108.02184	8.4
109.02972	4.9
117.03481	0.7
119.05052	2.3
121.02987	1.2
122.03745	1.1
123.04546	13.3
133.02971	2.3
134.03746	1.9
135.04544	14.1
139.04048	0.9
145.03001	4.5
147.04544	1.2
149.02457	1.9
150.03249	5.2
151.04013	2.9
157.02943	1.2
158.03749	0.9
159.04535	1.4
160.01688	1.5
161.02426	6.6
163.04015	2.0
173.02429	0.9
175.03996	3.5
177.01915	1.3
179.03517	5.0
185.02451	24.0
186.03218	6.1
187.82561	0.7
193.06526	0.7
197.02364	1.1
197.04578	5.4
203.03661	0.6
207.04578	0.7
208.05255	1.2
211.03928	0.8
213.01938	1.4
219.04532	3.2
220.05357	3.7
221.05974	1.2
224.04674	1.1
232.05286	1.0
233.06183	0.7
233.69496	0.6
235.04013	3.5
236.04768	4.1
237.05450	1.1
238.06369	2.2
238.08792	0.6
247.04070	5.0
248.04802	10.5
249.05559	2.3
249.83392	0.7
250.02856	0.9
250.06281	1.3
251.03532	1.6
259.04095	0.7
260.04779	2.0
261.05609	0.6
263.03488	3.6
263.07266	0.9
264.04318	10.2
265.05057	5.0
266.03134	0.7
266.05737	3.2
267.06662	7.2
275.03543	4.7
276.04297	8.5
277.05017	4.8
278.02124	0.9
278.05573	1.1
279.03094	1.4
279.06540	1.0
281.08249	0.7
283.06223	1.1
291.03021	5.0
291.06659	2.4
292.03793	17.2
293.04605	12.6
294.05371	8.8
294.65723	0.7
295.05908	1.3
303.03046	3.1
304.03769	5.0
305.04520	2.0
306.05261	1.3
307.06158	9.6
308.06961	0.8
309.07663	8.6
311.05670	1.8
313.71298	0.6
319.02490	2.0
319.06082	0.7
320.03302	17.2
321.03925	2.4
321.07755	3.4
335.05649	35.8
336.05884	1.3
339.05182	1.1
351.05154	1.5
353.06696	100.0
354.07065	4.1
443.11478	3.8
461.12323	2.9
487.10416	49.4
487.34201	15.2
488.10742	3.0
533.10919	1.3
549.84503	0.8
685.37433	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	685.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
64.19314	0.7
65.50278	0.6
71.04085	1.1
72.99310	29.0
74.61601	0.8
89.03968	1.0
91.49085	0.6
93.03470	2.1
95.01396	1.0
95.05026	1.3
96.96003	1.0
105.03477	1.5
107.05036	1.7
109.02956	11.8
117.03468	3.0
119.05027	0.8
121.02970	6.0
122.06107	0.8
123.04527	11.9
132.02185	5.4
133.02968	37.6
134.03784	6.2
135.04539	72.0
136.04883	2.2
137.02448	1.0
139.04042	1.2
145.02963	3.5
149.02448	21.0
150.03242	9.7
150.56180	0.8
151.04028	5.8
158.03589	0.7
159.04451	1.6
160.01675	17.9
161.02460	100.0
162.02795	1.9
170.49445	0.7
173.02444	2.7
173.61418	0.7
174.03242	3.8
175.04013	19.5
178.02753	1.4
179.03519	36.8
180.03865	1.4
185.02435	1.2
193.05002	1.4
196.05338	1.2
197.04552	41.4
198.04834	1.2
201.01932	2.8
205.01430	2.1
209.06136	1.5
211.07648	1.3
221.06133	1.9
222.06964	0.7
223.07631	1.0
224.04720	0.7
237.05618	2.7
238.06329	1.2
239.07220	3.4
249.05624	2.2
250.06367	2.9
254.05898	1.4
255.06616	3.1
265.05038	1.6
266.05887	3.1
267.06628	42.0
268.07199	2.3
281.08047	1.3
283.06171	11.8
293.04425	1.2
311.05630	64.6
312.06097	4.0
313.07108	1.1
321.04117	1.5
329.06693	13.3
339.05209	1.5
341.06564	2.7
347.07690	4.0
359.07825	7.0
373.09305	6.2
491.10052	1.8
498.74442	0.9
505.11389	1.0
509.10919	78.4
510.11197	4.8
530.19324	0.8
562.21954	1.2
653.25983	2.1
685.30975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12246	0.3
63.45841	0.3
65.00121	0.4
67.18961	0.3
72.70476	0.3
72.99319	13.2
86.55693	0.4
103.30410	0.4
105.03478	0.4
107.05030	0.4
109.02957	1.0
121.02940	0.5
123.04552	5.6
132.02199	0.8
133.02977	17.8
134.03848	0.9
135.04546	20.1
149.02444	2.8
151.04036	0.7
160.01643	0.9
161.02469	100.0
162.02777	2.0
175.04042	1.3
177.01982	0.5
179.03528	13.9
180.03946	0.5
197.04575	19.4
221.04724	0.4
223.02617	0.6
245.57735	0.4
281.08084	0.7
295.98618	0.4
304.40558	0.5
311.05750	0.4
313.07272	0.5
325.07364	0.4
329.06595	0.4
330.21957	0.4
346.11838	0.4
359.07770	45.6
360.08267	1.8
373.09241	1.2
404.69003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50257	0.8
53.89707	0.7
59.01357	1.0
62.34366	0.6
67.71994	0.7
72.99318	29.7
75.24175	0.7
77.03996	0.7
78.15839	0.7
89.03976	1.5
93.03494	1.0
95.05093	1.0
96.96021	0.9
102.37416	0.7
105.03486	1.5
107.05021	1.0
108.02217	0.8
109.02937	3.5
113.44627	0.7
117.03486	6.2
121.02963	2.4
123.04543	14.4
132.02180	2.9
133.02975	30.6
134.03717	3.1
135.04541	44.4
136.04884	1.0
139.04039	1.3
149.02472	8.7
150.03230	3.2
151.04021	3.1
160.01665	8.5
161.02461	100.0
162.02818	2.3
174.03311	1.0
175.04037	9.3
177.01913	0.8
179.03517	29.9
197.04572	47.4
198.05008	1.0
211.07623	1.2
214.69781	0.9
221.06158	1.0
237.05496	2.1
238.06250	1.4
239.07204	1.7
244.68910	0.8
249.05571	1.1
255.06665	1.9
265.05023	1.5
266.05859	11.3
267.06601	8.3
281.08194	14.5
283.06116	4.2
297.07742	0.9
311.05646	17.9
312.06216	1.0
325.07202	14.8
329.06693	35.0
330.06827	1.0
331.56598	0.7
347.07761	3.7
359.07745	10.6
373.09424	5.2
491.09509	4.9
509.10889	19.6
510.11334	1.1
523.12567	14.6
524.12939	1.7
561.58795	0.8
601.70447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	53.9
59.03862	0.7
69.42951	3.6
72.99314	5.7
80.05084	1.0
94.06644	1.4
105.05866	1.8
106.06638	9.0
107.03787	3.4
109.02969	2.6
120.08206	30.9
121.02980	1.6
121.05344	0.9
122.06139	47.4
123.04538	3.1
130.06590	1.1
132.02208	0.8
132.04570	1.4
133.02966	7.9
134.06139	61.9
135.04541	16.9
136.07729	1.8
149.02461	6.4
150.03224	1.0
151.04004	1.8
152.07228	5.2
158.02504	0.9
158.06058	0.9
159.04573	1.1
160.01698	2.6
160.04059	1.4
161.02467	27.5
162.05751	1.0
174.05618	1.3
175.03986	4.7
175.16295	0.8
179.03506	9.6
180.03952	0.8
190.05177	2.7
194.08342	3.8
197.04555	9.0
211.12419	1.3
221.10791	1.6
223.08849	5.8
224.09517	2.8
225.10320	3.1
227.11893	1.6
229.90013	0.9
233.10706	1.0
234.08006	0.9
235.08820	2.7
235.12463	1.8
236.09567	4.6
237.10400	7.2
238.11153	3.7
239.11945	6.2
241.13428	1.5
247.12419	1.0
248.09369	0.9
249.06743	0.8
249.07559	0.9
249.10309	8.7
250.11076	1.4
251.08490	3.8
251.11896	13.4
261.10245	1.5
262.07388	1.7
262.11102	0.9
263.08344	7.9
263.11865	3.4
264.09021	13.0
265.09824	6.5
265.13446	1.9
266.05887	1.1
267.06628	9.9
267.11325	1.2
268.07114	0.9
276.08994	4.1
277.09818	12.9
278.10559	8.8
279.11414	37.1
280.12112	3.8
281.12897	0.9
283.06198	2.6
287.13962	2.7
290.10669	1.6
291.11417	15.6
292.09067	1.1
292.12198	4.7
293.09305	1.2
293.12793	1.4
294.09909	1.1
295.10941	3.2
295.14240	0.7
305.09326	7.3
305.12964	4.1
306.09827	1.5
307.10846	3.3
308.11633	0.9
309.12482	1.0
311.05643	10.5
311.13864	0.9
312.05930	1.8
319.22800	1.9
323.10422	5.4
324.11105	2.2
326.12848	1.4
329.06677	4.7
335.10553	0.9
337.11880	2.7
342.12271	0.9
342.16174	2.6
354.12476	1.2
355.13049	3.0
356.13910	1.8
356.17761	1.9
358.19266	2.7
359.07782	2.5
360.17392	1.9
365.11591	2.6
367.13226	1.5
368.13925	1.2
369.14673	2.0
370.15598	7.7
371.16196	2.4
372.17038	1.1
373.09277	1.6
383.16379	1.5
384.13229	1.0
384.17368	12.1
385.17984	3.8
386.14728	0.8
386.18863	6.2
397.14008	1.8
398.14856	2.8
398.19440	4.2
399.19708	1.6
402.18161	2.3
410.15036	1.6
411.15955	2.3
412.16730	3.3
414.18289	1.4
425.17279	1.8
426.18286	13.4
427.18854	2.7
428.16019	1.3
429.16870	1.0
430.17972	5.5
431.18146	1.6
443.18512	1.1
444.19379	10.7
445.19370	0.9
452.16107	2.2
453.17053	1.9
456.15277	1.0
458.20959	1.2
470.17236	3.8
471.18030	5.1
486.20435	13.9
487.21066	2.6
490.19714	6.6
502.20251	4.7
503.20337	0.9
507.23669	1.4
509.10922	16.6
510.11005	2.7
512.17700	1.0
530.19348	38.5
531.20160	20.5
532.19952	1.2
549.25195	7.1
562.21967	54.9
563.22583	6.3
567.26251	4.6
575.23328	1.4
593.24133	14.3
609.27240	28.7
610.27209	1.5
611.25348	1.4
625.26910	2.2
635.24817	1.1
653.26208	100.0
654.26617	7.6
685.28705	24.8
686.28790	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03436	0.7
59.01385	17.9
69.67702	1.4
69.68095	1.4
71.01385	15.7
72.99297	2.7
73.02944	5.0
74.91109	0.6
83.01396	3.9
85.02956	7.6
87.00858	1.1
89.02462	3.2
95.01432	1.7
96.96024	0.9
97.02950	2.0
99.00890	1.6
100.08731	0.7
101.02455	11.2
109.02957	3.7
111.00861	0.7
113.02457	5.4
119.03505	1.2
123.04485	1.4
125.02429	1.2
133.02934	1.3
135.04503	4.4
143.03557	0.8
149.02434	1.4
151.04066	0.6
159.04425	0.7
161.02469	3.0
161.04541	1.1
175.93358	0.7
179.03494	2.4
185.02446	2.4
197.04573	2.8
248.04744	0.7
249.05545	1.4
265.04990	0.7
277.05069	0.7
279.02957	1.2
280.03546	0.6
293.04602	2.0
295.06100	2.9
311.05267	0.9
319.22815	17.4
320.23135	0.7
321.04062	4.2
322.04312	1.2
339.05258	3.3
339.08847	0.6
340.05417	1.1
355.07434	0.7
359.07709	1.0
361.23764	1.8
415.24792	1.3
447.54681	0.7
463.27026	12.7
464.27127	1.0
481.28131	33.8
482.28345	1.9
523.29211	26.9
524.29510	1.8
625.32373	6.0
643.33447	18.7
643.41833	0.4
644.33893	0.8
646.69946	0.7
685.34460	100.0
686.34839	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	685.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.1
61.98840	4.7
69.23358	12.4
72.99316	7.2
96.96030	5.1
107.06271	2.2
109.02967	6.1
116.92840	4.9
119.05045	24.0
120.05369	6.3
123.04524	2.9
133.02968	5.0
134.03699	2.4
135.04535	24.5
144.47507	2.3
161.02454	18.1
162.02820	2.7
163.04056	11.6
164.04367	6.6
175.03963	3.0
176.34474	2.2
179.03477	11.4
185.02449	4.2
197.02184	5.0
197.04517	4.9
265.05231	2.5
283.05875	2.3
293.04514	7.2
294.96899	2.5
311.05588	6.3
321.04102	4.0
339.05151	3.7
487.34338	100.0
488.34576	13.3
685.37433	23.3
686.37164	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	685.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
72.99325	6.6
73.02961	1.6
92.70950	0.9
96.96037	2.3
101.02430	1.1
105.03482	1.0
108.02187	4.5
109.02966	19.2
117.03522	1.7
121.02990	4.6
123.04533	8.0
123.36656	1.1
132.02164	1.7
133.03003	6.8
135.04553	11.8
136.04851	1.1
137.02492	1.5
137.43169	1.0
145.02991	6.1
149.02458	3.6
150.03242	2.0
151.04013	3.4
158.06239	0.9
159.04623	2.3
160.01643	2.1
161.02469	18.9
173.02573	1.0
175.03986	1.9
177.02016	1.3
179.03496	5.1
185.02428	10.0
186.03136	2.7
191.05127	1.0
196.05371	1.1
197.02235	7.0
197.04546	4.0
197.06120	1.3
208.05293	1.4
208.87918	0.9
209.06049	1.2
211.07634	1.1
219.04485	1.8
220.05266	3.0
221.06142	2.5
235.03955	3.4
236.04756	3.5
237.05498	2.7
238.06281	1.9
239.07133	1.6
247.04025	3.1
248.04744	6.9
249.05544	5.2
250.06361	3.1
252.04214	1.3
260.04822	2.1
263.03485	3.7
264.04257	6.8
265.05014	4.5
266.05777	3.5
267.06641	27.9
268.07031	3.0
275.03516	2.9
276.04282	6.3
277.05042	4.6
279.02954	2.0
283.05838	1.5
291.03024	2.9
291.06458	2.1
292.03806	14.8
293.04498	6.2
294.05264	6.9
295.06021	1.0
303.03067	1.5
304.03632	3.6
305.04553	2.4
307.06204	7.2
309.04117	1.6
309.07559	8.4
311.05634	9.0
319.02533	2.2
319.22772	5.5
320.03336	12.0
321.07581	1.7
325.07190	4.3
335.05624	21.9
336.06082	1.6
353.06705	37.7
354.06937	3.5
359.07809	3.0
443.11465	2.8
461.12439	2.1
487.10403	37.7
487.34360	100.0
488.10712	5.7
488.34561	10.0
496.30991	1.1
505.11447	1.8
523.13434	1.1
685.16370	1.7
685.37213	18.2
686.37610	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	685.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.0
61.98840	1.8
62.51926	1.3
69.43692	5.5
72.99332	3.4
74.65892	1.5
101.02544	1.6
109.02959	1.7
119.05051	2.0
123.04451	1.6
133.02971	4.4
134.03700	1.6
135.04555	13.3
145.03082	1.8
149.02419	1.7
151.00403	1.5
151.04105	2.0
152.50638	1.7
161.02478	15.7
163.04022	1.9
175.04001	2.1
179.03554	5.1
187.93993	1.5
197.02209	1.7
197.04573	2.0
199.40370	1.5
345.60092	1.7
359.07870	2.1
375.10352	1.4
487.34372	100.0
488.34384	10.9
505.18347	2.7
520.94733	1.7
524.15161	2.3
603.39264	1.9
654.77942	1.9
685.37482	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	686.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
69.07524	2.0
73.70461	0.3
74.65544	0.2
86.57912	0.2
98.22694	0.6
102.74575	0.3
131.16844	0.3
139.07814	0.3
242.26828	0.3
383.00342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47151	0.9
59.01379	2.6
63.23629	1.0
67.45019	1.0
71.01375	1.1
72.99312	3.3
73.80214	0.9
76.43178	0.9
85.02999	1.1
93.03432	1.2
96.96014	3.2
105.03481	1.7
108.02213	1.5
109.02977	13.7
117.03442	1.1
121.02958	2.8
122.03781	2.1
123.04539	25.1
133.02975	20.3
134.03732	1.9
135.04539	39.6
137.02451	6.7
145.03046	1.7
147.04590	1.3
149.02467	16.2
149.06139	1.7
150.03236	13.5
151.04025	72.6
152.04332	1.7
161.02458	100.0
161.74207	0.9
162.02892	1.7
171.51064	1.0
174.03181	1.1
177.01976	1.9
177.05550	2.2
178.02582	1.4
179.03508	77.6
180.03818	1.9
185.02441	2.0
197.04524	2.6
203.03603	1.6
213.04048	3.7
221.04529	4.3
224.04703	1.2
239.07121	1.3
249.05637	3.0
250.06300	1.5
265.05042	2.0
266.05774	1.2
267.06647	24.7
268.07315	1.9
269.08160	1.6
278.05612	1.0
283.06088	2.3
293.04645	2.4
294.04916	0.9
295.06052	12.6
296.06387	1.1
311.05640	29.8
312.06155	2.3
313.07217	25.1
314.07352	1.3
321.03931	4.2
322.04242	1.1
339.04990	3.6
341.06769	5.6
375.07288	10.0
391.10394	3.9
475.10263	1.1
487.33948	1.3
491.09775	1.4
495.72244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95236	1.2
60.52977	1.2
72.99316	11.6
84.06094	1.5
93.03478	6.8
96.96067	2.4
108.02207	2.3
109.02968	56.0
121.02965	4.2
121.67531	1.6
123.04538	4.9
133.03026	3.1
135.04538	9.2
136.37370	1.7
137.02448	10.1
145.02899	2.5
149.02437	11.8
150.03223	4.4
151.04053	3.5
157.02945	3.2
159.04541	4.6
161.02464	6.1
165.05547	3.3
167.03477	1.8
173.02533	3.7
179.03471	12.2
185.02458	29.3
186.03246	9.3
194.05916	4.1
195.06631	4.4
197.04588	10.6
197.06091	1.9
209.06212	2.9
209.08250	4.4
209.66148	1.6
221.06113	4.5
224.04753	1.3
225.05643	5.7
239.07214	2.2
248.04942	2.0
249.05504	7.0
250.06166	2.7
251.03531	3.2
251.07417	1.8
252.04343	3.4
265.05063	2.6
266.05835	2.1
267.06598	8.3
269.08081	2.2
276.04071	2.2
277.05072	12.1
278.05447	1.5
279.02945	8.1
280.03769	10.0
281.06772	12.3
293.04523	6.9
295.06146	41.5
296.06604	3.0
300.21808	1.3
304.53592	1.3
321.04050	20.0
339.05124	100.0
340.05484	4.8
347.07687	21.4
473.08981	2.0
477.14050	14.0
519.09180	1.9
535.41626	1.6
556.48987	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	687.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95236	1.2
60.52977	1.2
72.99316	11.6
84.06094	1.5
93.03478	6.8
96.96067	2.4
108.02207	2.3
109.02968	56.0
121.02965	4.2
121.67531	1.6
123.04538	4.9
133.03026	3.1
135.04538	9.2
136.37370	1.7
137.02448	10.1
145.02899	2.5
149.02437	11.8
150.03223	4.4
151.04053	3.5
157.02945	3.2
159.04541	4.6
161.02464	6.1
165.05547	3.3
167.03477	1.8
173.02533	3.7
179.03471	12.2
185.02458	29.3
186.03246	9.3
194.05916	4.1
195.06631	4.4
197.04588	10.6
197.06091	1.9
209.06212	2.9
209.08250	4.4
209.66148	1.6
221.06113	4.5
224.04753	1.3
225.05643	5.7
239.07214	2.2
248.04942	2.0
249.05504	7.0
250.06166	2.7
251.03531	3.2
251.07417	1.8
252.04343	3.4
265.05063	2.6
266.05835	2.1
267.06598	8.3
269.08081	2.2
276.04071	2.2
277.05072	12.1
278.05447	1.5
279.02945	8.1
280.03769	10.0
281.06772	12.3
293.04523	6.9
295.06146	41.5
296.06604	3.0
300.21808	1.3
304.53592	1.3
321.04050	20.0
339.05124	100.0
340.05484	4.8
347.07687	21.4
473.08981	2.0
477.14050	14.0
519.09180	1.9
535.41626	1.6
556.48987	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	687.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
59.99520	0.2
60.40895	0.2
68.11945	0.2
69.33728	0.9
72.99308	0.7
89.04012	0.2
93.03461	0.5
104.02599	0.2
104.81175	0.2
105.03452	0.7
109.02969	1.2
120.01279	0.3
123.04533	4.0
131.04907	0.2
132.02184	1.0
133.02971	25.3
134.03415	0.4
135.04539	3.1
143.29825	0.2
150.03244	1.1
151.04039	4.9
159.04529	0.9
160.01636	0.5
161.02461	100.0
162.02791	2.8
163.04089	0.3
175.04012	0.6
179.03508	0.8
197.04530	0.7
269.08188	1.5
281.06787	0.4
313.07208	22.1
314.07669	1.1
359.07535	0.3
373.09378	0.3
477.14069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13749	0.3
57.23067	0.2
68.51729	0.3
69.36654	1.1
72.99316	22.6
107.05038	1.3
109.02990	0.7
117.03484	16.9
119.05035	2.2
123.04539	9.6
133.02931	0.7
134.03775	3.4
135.04543	74.0
136.04860	2.3
145.02969	100.0
146.03322	2.7
151.04036	0.9
161.02504	0.4
163.04016	2.6
171.58414	0.3
179.03520	27.6
180.03893	0.8
189.50151	0.3
197.04572	40.3
198.04964	1.2
202.00638	0.3
223.02554	1.1
298.73871	0.3
299.09198	0.4
339.05203	0.6
343.08252	25.4
344.08633	1.4
474.78516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
61.98837	0.8
62.16611	0.7
71.01389	1.0
72.51563	0.6
72.99318	47.0
77.46490	0.7
79.51936	0.6
81.03447	1.0
89.02431	0.8
95.05083	1.1
96.96014	0.9
98.21891	2.1
99.04543	1.5
108.02172	3.5
109.02966	86.8
110.03324	0.8
111.23145	0.7
116.92881	0.7
117.03465	2.2
119.05028	1.8
121.02991	5.8
122.03722	1.1
122.38726	0.7
123.04541	35.0
124.04874	1.0
129.03427	0.8
133.02997	3.4
134.03714	2.1
135.04544	34.3
137.02458	1.5
139.04071	1.0
141.03456	0.8
141.87390	0.7
145.02988	3.4
147.00867	1.8
147.04527	6.7
148.01698	1.2
149.02463	33.9
150.03235	1.5
151.04019	8.2
157.02968	8.2
158.03722	2.3
159.04530	11.9
159.95750	0.6
161.02444	5.7
163.00383	2.6
163.03984	1.4
164.01215	2.4
165.01904	1.0
167.97478	0.7
169.79512	0.7
173.02448	9.4
174.03220	1.3
175.04015	3.1
177.01988	1.0
178.02759	1.8
179.03531	29.4
179.05103	1.7
184.79840	0.7
185.02454	95.6
186.03209	13.7
187.03952	1.3
193.06569	0.8
197.04573	55.3
198.04938	2.1
199.01964	0.7
201.01955	1.2
203.03535	5.0
209.04523	3.7
211.06100	13.0
211.08037	0.9
221.06099	2.0
225.05429	1.0
237.05602	1.3
239.07219	1.2
247.04015	0.9
249.05602	2.1
250.06282	1.1
251.07219	0.7
253.05167	3.4
254.05910	1.0
265.05115	1.9
266.05893	1.7
267.06628	8.2
269.08279	2.6
271.10980	0.7
276.04370	1.4
277.05032	4.4
280.04031	1.0
282.05249	0.9
293.04559	11.6
293.09399	2.7
294.05130	1.2
295.06146	100.0
296.06476	4.7
309.03882	0.8
311.05630	11.6
311.66486	0.8
313.07190	6.6
321.04068	0.8
325.12009	1.5
326.04388	0.9
327.05118	0.8
339.09778	0.9
341.06418	0.9
344.05457	1.0
359.07733	15.6
360.08130	0.9
361.09357	3.3
391.10385	97.7
392.10733	6.2
469.33264	1.2
470.34119	0.8
487.34369	12.5
488.34634	6.0
489.35184	3.1
491.09872	1.3
526.17279	0.9
531.00073	0.8
655.14874	2.7
686.37787	1.3
687.16663	1.0
687.37689	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	687.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.2
71.01376	3.5
71.41063	2.8
72.99316	24.8
80.05078	3.3
85.84438	2.5
94.06635	5.3
95.05033	3.4
96.96028	2.7
101.02455	3.4
105.03481	5.0
106.06627	15.1
108.04559	8.8
109.02958	9.9
121.02982	3.6
122.06126	24.8
123.04510	12.9
132.04568	5.2
133.02977	38.0
134.06143	6.7
135.03494	4.1
135.04535	56.7
138.05615	7.3
150.05641	19.4
151.04027	9.9
152.07169	3.5
160.04077	8.4
161.02449	70.7
161.04573	4.0
162.02817	8.9
163.04121	3.3
171.10332	3.9
174.05655	4.1
177.01958	17.9
178.02641	3.3
178.05222	2.8
179.03508	24.7
179.10849	2.8
180.03836	3.0
185.02499	3.6
189.04321	5.8
197.04579	30.0
197.11839	22.5
198.04860	4.1
202.05157	6.8
209.11827	17.3
215.11934	3.1
229.01321	2.5
231.11212	3.0
234.07959	4.7
241.09935	8.8
249.10313	6.6
251.08304	3.3
251.11931	3.7
252.09013	21.0
253.09763	18.1
259.10992	5.6
265.09756	6.8
267.06729	3.9
267.11377	17.5
271.10962	8.8
277.09811	12.6
278.06970	5.7
279.07739	12.7
279.11765	2.7
285.12469	3.5
289.11966	13.6
293.09320	14.9
295.10864	55.2
313.07147	7.2
321.04071	10.4
321.08801	40.2
327.05075	3.5
333.10947	7.8
339.09946	21.4
359.07840	7.6
372.59598	3.6
384.13446	3.2
468.17548	11.5
477.19733	2.8
489.14252	4.3
579.22424	5.6
611.21478	43.5
612.21631	3.3
623.21619	10.5
637.19360	5.7
655.20392	100.0
656.20471	14.2
687.22955	26.3
687.32556	37.6
688.22882	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	687.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24290	2.5
59.01385	12.6
67.13492	2.5
67.88821	2.5
71.31988	2.4
71.42575	2.4
72.99323	18.8
80.05074	8.2
94.06654	10.4
102.72786	2.6
104.05082	5.1
105.03403	3.9
106.06642	17.1
108.04562	7.8
109.02976	3.4
116.92928	3.3
120.04565	3.1
122.06141	77.2
123.04544	7.2
132.04588	5.4
133.02974	19.1
134.03700	3.5
134.06093	6.1
135.04535	61.4
138.05629	6.3
142.47905	2.7
146.06107	2.6
148.03983	3.1
150.05707	14.6
151.04021	10.4
158.06180	3.8
160.04086	9.4
161.02475	41.5
162.02829	3.8
174.05644	5.6
177.01939	5.4
179.03510	23.1
186.05675	3.6
188.07135	3.4
189.04344	5.0
190.05121	3.3
197.04526	15.3
202.05110	4.7
213.10341	9.2
215.11813	4.1
223.08817	3.2
224.09480	2.8
225.10403	3.8
231.11255	3.5
237.10278	3.8
239.08118	2.9
239.11929	12.8
241.09857	5.2
241.13376	5.5
249.10439	5.9
250.07559	3.2
251.08289	8.3
251.11964	5.7
252.09134	18.4
253.09813	11.5
259.10983	5.2
263.08224	4.5
265.09839	12.2
267.06903	2.7
267.11411	14.1
271.10858	7.2
277.09851	9.9
278.06998	5.8
278.10245	3.0
279.07797	15.7
279.11438	4.4
281.09305	8.3
283.10718	3.1
285.12494	21.5
289.11938	10.2
293.09464	21.4
293.12555	5.3
294.10202	5.3
295.10931	50.5
296.11105	2.6
307.11057	4.3
313.06955	3.0
319.07837	2.9
321.08838	33.0
325.11957	6.3
327.05139	7.8
339.09836	17.8
340.14435	2.9
342.12360	3.2
358.15616	5.9
359.07663	10.9
384.13397	7.4
398.15088	6.6
400.16544	11.4
412.16711	6.6
428.16568	3.9
455.03625	2.8
456.15735	3.5
457.16101	2.9
468.17816	10.8
474.17007	6.0
535.23486	10.4
551.22888	8.0
561.21826	6.2
579.22675	36.8
605.20648	6.3
606.20764	2.9
611.21143	34.9
623.21539	63.2
624.22211	4.1
637.19525	4.9
655.20398	100.0
656.21765	9.8
687.22925	31.5
688.23627	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	687.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.6
60.36082	1.3
67.89832	1.3
72.99326	10.3
75.95479	1.6
80.05072	4.0
81.79893	1.4
104.05070	2.0
106.06630	4.0
107.03751	1.5
108.04579	10.7
108.08217	5.9
109.02973	1.5
120.04552	2.6
121.05358	11.3
123.04527	4.1
132.04549	2.2
133.03023	9.2
134.03651	1.7
134.06166	2.8
135.04564	16.6
136.04868	2.9
136.07703	100.0
137.08020	1.8
146.04878	2.2
151.04007	4.4
152.03490	1.9
154.84453	1.4
160.07613	1.6
161.02484	25.1
162.02777	5.9
174.05640	1.5
179.03496	8.4
180.03954	1.8
189.01936	1.4
190.05072	1.9
197.04565	7.0
199.08850	12.0
225.10387	7.3
227.11932	7.4
229.13390	2.3
237.10393	4.8
249.10406	1.6
250.07455	2.5
251.08147	3.3
251.11832	1.5
253.09798	4.7
263.08252	4.9
265.09848	4.9
271.10965	20.5
276.09042	2.1
277.09772	4.7
278.07031	5.6
278.10599	10.6
279.07764	4.3
279.11404	8.7
291.11255	2.0
293.09357	12.7
294.10135	2.4
295.10806	1.9
299.10477	2.6
307.10986	3.4
309.12579	2.0
329.06778	3.8
337.08295	4.0
339.13605	2.4
342.12399	2.1
342.16183	2.1
343.13269	2.3
344.14032	5.8
356.10297	2.1
356.14456	2.1
359.07843	3.4
360.08310	2.0
368.14053	2.3
370.11725	3.7
371.12775	4.0
386.15070	9.1
398.15134	8.3
426.18555	2.1
442.17737	5.4
443.18082	2.4
458.20844	3.1
460.18558	2.6
470.17261	8.7
471.18024	4.3
488.18381	42.8
489.19003	2.0
493.22675	4.2
502.19861	11.2
507.24216	2.4
534.22607	11.6
535.23541	36.7
536.23389	2.5
561.21680	12.5
567.26270	3.6
579.22467	47.2
580.23151	2.4
605.20508	3.4
611.25159	24.5
612.25995	2.2
618.55280	1.8
623.21564	16.7
637.23444	4.1
655.24219	50.6
656.24487	4.0
687.26648	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	10.6
59.25512	5.4
63.08228	5.3
71.04063	8.6
72.99320	11.9
78.33884	6.4
79.06958	6.4
96.96017	5.9
98.21773	5.4
100.00590	5.5
108.04557	12.5
108.08202	6.5
118.29593	5.3
120.40647	5.7
121.05291	10.4
133.02956	11.9
135.04585	26.9
136.06731	9.6
136.07701	100.0
154.46303	5.9
161.02446	43.5
173.23572	4.9
179.03552	10.9
197.04544	9.3
199.08838	9.1
209.11803	15.5
211.13417	12.0
212.09494	8.0
225.10248	11.1
227.11821	10.2
230.91132	6.2
239.91113	6.3
240.05994	6.5
243.15086	6.6
251.11653	6.2
253.09726	6.5
271.11005	29.1
277.09863	5.3
278.10632	9.8
279.11304	8.9
293.09277	16.5
344.14044	12.3
358.15445	6.0
386.15051	24.2
398.15131	7.0
413.26007	6.7
439.24338	6.7
488.18079	6.6
502.19879	16.7
534.22516	25.7
535.23608	38.4
561.21240	13.3
579.22656	57.4
611.25372	17.9
623.21167	24.8
655.23840	47.8
687.26459	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	687.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38968	1.0
55.01893	1.2
55.91976	1.0
59.01386	100.0
69.08021	2.9
69.08425	4.3
71.01389	35.5
72.99308	4.8
73.02962	11.1
83.01407	5.9
85.02957	8.9
85.03384	1.5
87.00861	2.0
88.34780	1.0
89.02454	29.3
95.01403	3.8
96.96014	3.1
101.02454	22.8
102.04543	1.0
109.02934	1.7
110.44991	1.1
113.02468	24.2
116.92877	3.3
119.03529	14.7
123.04504	1.7
125.02439	2.3
131.03505	2.4
133.02963	6.0
135.04553	6.0
143.03493	5.9
149.04553	3.0
149.30887	1.1
151.03995	1.8
161.02469	21.9
161.04524	7.8
162.02847	1.8
179.03549	3.1
179.05653	13.0
181.05074	1.9
197.04611	3.4
199.57716	1.0
231.04102	1.2
309.62814	1.2
313.07291	3.5
359.07999	1.6
583.31299	16.2
601.32275	20.9
602.32465	1.9
643.33282	5.4
687.39063	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	689.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70551	0.5
59.01176	0.4
59.01394	4.2
69.37580	2.2
71.01389	1.0
72.99318	13.1
73.02933	1.0
76.58465	0.5
82.95451	0.4
85.02960	0.8
89.02440	1.1
96.96030	6.2
101.02422	1.0
107.05033	0.8
108.04543	0.5
109.02945	2.2
113.02449	0.7
116.74817	0.4
117.03479	1.6
123.04543	5.7
132.02260	0.9
133.02974	18.3
134.03726	1.8
135.04544	39.6
136.04851	0.7
136.15878	0.5
137.02475	3.0
139.82268	0.6
142.62747	0.5
145.03021	0.5
149.02470	1.5
150.03224	1.2
151.04027	1.7
152.07214	1.0
161.02464	100.0
162.02817	2.7
175.04016	0.6
177.01935	1.4
178.18471	0.4
179.03519	19.7
197.04576	17.8
198.04948	0.6
231.73866	0.5
239.07324	0.6
255.06645	1.6
265.05035	0.5
267.06534	2.2
267.84427	0.5
269.08362	0.5
283.06204	0.8
285.07770	0.8
295.02676	0.4
295.06195	0.6
311.05713	6.8
313.07239	1.6
329.06717	9.6
331.08218	0.5
339.05502	0.5
341.08929	9.0
347.07721	0.5
359.07748	38.7
360.08041	1.8
377.08850	1.6
447.11044	0.7
491.09909	5.7
492.10144	0.6
509.10941	0.9
527.11963	2.1
550.22485	0.8
581.23743	0.7
588.50104	0.6
657.24725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60913	0.3
59.01389	4.5
60.18094	0.4
63.81359	0.3
63.98648	0.3
71.01372	0.6
72.99296	0.5
73.02991	0.3
74.48676	0.4
77.55845	0.3
80.16545	0.3
82.95435	0.4
84.48621	0.3
96.96013	0.7
101.02467	0.4
105.03474	0.5
109.02944	1.4
123.04543	2.6
132.02171	0.9
133.02972	26.0
134.03331	0.5
135.04558	2.4
149.02499	0.4
150.03233	0.6
151.04028	4.6
152.07225	0.4
159.04526	0.9
161.02461	100.0
162.02831	2.2
163.04097	0.4
171.10304	0.6
179.03520	1.2
197.04501	0.9
207.10229	0.5
208.92252	0.3
209.11885	1.6
225.11354	0.6
227.12860	0.4
269.08231	2.5
313.07211	26.3
314.07495	0.7
359.07690	0.5
391.05600	0.3
395.17386	0.4
466.79593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77016	2.7
52.20790	3.7
52.76474	3.0
54.17408	3.0
59.01379	14.5
65.28889	2.8
65.78998	2.7
69.06342	21.1
72.99316	29.0
80.05066	16.6
82.95430	14.7
83.01368	3.7
85.02978	3.4
89.03114	2.7
94.06635	5.0
96.96033	4.4
104.05112	5.4
106.06652	7.1
107.03788	4.3
108.04577	52.5
109.02950	10.1
117.03491	4.3
120.04568	9.0
121.05326	4.3
122.05310	5.2
122.06137	53.0
123.04521	9.3
124.01663	12.3
125.02449	24.2
132.04623	6.9
133.02956	24.7
134.06148	15.7
135.04550	56.4
136.04843	3.5
136.07629	5.1
137.02466	10.9
148.04034	8.8
149.02423	5.6
149.04761	3.9
149.99622	15.5
150.03207	3.4
150.05634	84.0
151.00383	6.9
151.03978	9.7
160.04095	7.4
161.02470	100.0
162.02853	6.2
162.05544	4.1
168.00647	28.4
169.01405	6.7
171.10303	14.6
174.05573	8.3
179.03543	31.0
188.07149	12.0
190.05121	3.9
197.04527	24.5
201.10297	5.3
209.11873	28.1
211.08887	5.7
213.10353	20.3
223.08818	5.4
225.10313	8.5
226.11218	3.2
227.13104	3.1
237.05513	3.7
237.10353	6.2
239.07397	2.8
239.11963	15.8
241.13493	13.9
243.11423	6.6
249.10439	4.7
250.07449	9.3
251.08266	9.7
252.08908	3.8
253.09766	14.2
255.06679	16.1
263.08322	5.6
264.09012	3.7
265.09769	15.2
266.10397	3.6
267.06628	9.0
267.11407	8.2
277.09787	7.5
278.07047	6.4
278.10510	6.0
279.07803	23.1
279.11133	7.0
280.08310	3.7
281.09402	4.0
282.09949	3.3
283.06229	7.0
283.10950	3.9
285.07898	6.6
285.12451	50.6
291.07922	6.4
293.09329	44.7
293.12936	11.3
294.10110	15.3
295.10977	24.6
306.10178	5.0
307.10880	8.6
311.05676	21.2
311.10132	5.4
321.08878	14.2
323.10388	3.5
329.06772	23.7
337.08307	24.2
338.09091	4.1
339.09601	5.3
343.13416	3.1
344.13928	8.1
353.11432	4.7
356.17963	4.2
358.15543	16.0
359.07745	21.3
370.11914	3.7
377.08817	10.5
384.13467	5.5
385.14343	6.8
386.11395	3.4
387.15854	4.4
398.15057	3.8
400.16837	19.7
412.16727	9.5
415.15375	10.9
416.16098	12.0
430.17618	8.6
442.13950	4.6
447.11005	5.9
456.15573	8.2
458.16891	5.5
459.14432	3.6
460.15134	14.4
461.15631	3.7
472.19086	4.7
474.16812	20.5
491.10007	5.7
501.15814	4.7
502.16183	27.1
503.32043	3.6
506.19577	23.1
509.11115	8.3
516.17804	29.8
521.22125	24.7
522.22186	3.9
527.11810	10.3
534.18799	9.5
548.20660	23.1
553.24652	19.5
563.23065	60.2
564.23615	3.6
565.21075	23.0
566.21594	12.6
595.25763	21.3
597.23572	80.2
598.24091	5.9
607.22070	47.4
608.22076	5.2
625.22992	14.3
629.26355	28.0
639.24725	92.2
640.25323	8.4
657.25928	44.4
671.27332	19.0
689.34711	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39324	44.4
67.31225	42.6
69.87096	40.1
80.78407	47.0
84.85136	50.2
120.81059	43.9
135.04553	89.0
179.03416	56.2
197.87318	62.6
209.11778	58.6
211.13368	100.0
291.70804	70.3
364.60312	51.0
457.73172	55.7
689.32477	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11909	2.5
59.01399	20.1
70.73183	3.3
71.01393	14.5
73.02950	3.2
74.49165	2.2
89.02463	13.4
101.02432	11.5
113.02444	7.6
119.03546	3.1
125.02467	5.4
132.52821	2.4
133.03011	2.4
135.04639	2.5
143.03535	3.0
157.08139	2.5
161.02448	4.9
175.40993	2.4
179.05663	2.9
222.65730	2.4
235.08276	6.5
255.23311	42.9
256.23315	3.0
282.38403	2.4
287.07614	2.7
397.13528	100.0
398.13934	3.3
415.14670	23.1
463.05923	2.7
653.37567	13.6
689.35272	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.7
61.98841	3.0
69.76517	4.5
69.76888	2.7
86.24287	2.0
90.21819	2.0
135.04546	5.2
161.02496	3.1
177.43869	1.9
179.03587	4.2
467.31631	18.6
485.32779	100.0
486.33054	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	690.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02990	1.0
61.98837	100.0
72.00938	0.6
72.99314	0.5
74.02447	0.3
93.03476	0.7
101.16804	0.3
116.05087	0.9
118.06667	0.6
119.05058	1.3
119.15778	0.4
129.10365	2.9
133.02885	0.4
133.05324	0.4
134.06091	0.8
135.04568	1.0
146.06139	0.5
155.08273	2.2
161.02509	0.8
162.05669	0.5
163.04089	1.1
165.08897	0.4
171.41281	0.3
179.03580	0.8
180.06705	3.1
185.02539	0.4
186.05653	1.1
187.05212	0.7
187.10924	0.4
197.04590	0.6
213.14035	0.8
249.16286	0.8
257.13126	1.1
268.09888	0.3
275.14175	0.6
293.04807	0.4
293.15195	1.9
321.04150	0.9
339.04965	0.4
343.18231	2.2
344.18738	0.4
421.17972	0.4
438.20389	0.4
446.20767	0.4
487.34644	0.7
609.27380	0.8
627.28271	22.3
628.28796	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	690.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.6
61.98842	3.2
65.05341	1.2
71.01386	3.2
72.99316	2.7
80.47647	1.4
89.02470	1.9
133.02975	3.9
135.04526	5.3
141.01581	1.5
161.02426	8.3
179.03519	3.3
193.83096	1.3
195.13939	1.5
197.11998	1.4
293.21213	16.1
386.40201	1.5
397.13373	3.7
415.14737	3.0
467.31601	7.5
485.32767	100.0
486.33102	8.9
647.37964	2.6
690.38855	5.3
709.20758	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	691.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44076	0.2
56.42251	0.2
56.94723	0.2
59.01387	7.7
63.17191	0.2
69.51463	0.5
69.51870	0.7
71.01386	0.5
74.85381	0.2
83.84956	0.2
98.21869	0.3
101.02467	0.4
105.03465	0.6
109.02955	1.0
113.02496	0.3
123.04556	3.0
132.02179	1.1
133.02971	24.5
134.03305	0.6
135.04579	0.3
146.98270	0.2
149.02382	0.3
150.03233	0.9
151.04025	4.8
159.04524	0.9
161.02463	100.0
162.02802	2.3
173.69873	0.3
179.03548	0.3
269.08185	2.4
291.18094	0.7
313.07208	25.1
314.07501	1.5
327.43643	0.2
407.99194	0.3
469.33295	0.5
492.54581	0.3
529.35266	1.5
548.50439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29399	9.0
59.01383	27.9
61.98833	18.4
70.69989	12.8
71.01366	10.8
109.06590	20.6
133.02977	33.2
135.04543	11.9
161.02484	100.0
161.04431	8.9
163.11383	15.5
207.10271	75.9
211.13454	95.3
225.11249	60.0
253.09253	15.5
303.00571	9.1
345.13095	7.7
383.22266	15.8
401.23169	15.1
443.19382	14.2
461.20206	26.1
487.34030	17.2
637.32422	80.8
638.32635	11.0
655.33386	73.4
656.34552	10.1
691.31183	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	691.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
61.98838	1.5
69.85014	3.7
72.99295	1.4
92.18696	1.1
96.96059	2.4
99.92601	2.2
105.67187	1.1
115.92091	2.3
116.92861	8.7
133.03011	1.6
135.04517	6.2
161.02484	4.5
179.03531	2.4
198.55753	1.3
211.97147	1.3
480.44748	1.4
487.34381	100.0
488.34613	7.6
562.98932	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	691.407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
61.98845	0.8
69.21294	2.4
71.01391	0.5
73.02945	0.5
79.82638	0.4
96.96053	1.0
97.65185	0.4
101.02461	0.8
116.92880	1.1
133.03006	0.8
135.04509	2.8
161.02448	1.5
172.78932	0.4
179.03517	1.6
251.34747	0.4
265.44305	0.4
307.60794	0.4
312.72653	0.4
316.72299	0.4
487.34360	100.0
488.34659	9.7
495.32675	0.4
511.06677	1.2
529.35107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59797	0.1
59.01385	2.1
60.66969	0.1
64.85961	0.2
68.46260	0.1
68.49084	0.2
70.45398	0.1
70.50069	0.3
71.01392	0.5
72.99317	0.2
73.02961	0.8
87.00974	0.2
89.02471	0.2
94.21452	0.1
96.96018	0.5
99.92559	0.2
100.93346	0.2
101.02457	0.5
106.87675	0.2
109.02954	0.1
113.02452	0.3
114.16929	0.1
116.92877	1.2
129.69864	0.1
133.02945	0.6
135.04526	0.9
156.71364	0.1
161.02461	1.7
179.03564	0.5
194.56473	0.2
239.07230	0.2
311.05676	0.2
344.71652	0.2
359.07941	0.2
377.28662	0.2
379.30344	0.3
391.30450	0.2
409.31186	1.1
421.31030	0.3
469.33176	1.8
470.33774	0.2
487.34351	100.0
488.34695	9.1
497.32565	0.2
529.35394	6.5
530.35828	0.7
540.86084	0.2
691.26703	0.2
691.40436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58279	1.0
58.02986	7.6
62.42424	1.3
63.64613	1.1
65.53784	1.2
67.63914	1.1
69.47344	5.1
71.60457	1.2
72.00900	2.0
73.81736	1.3
74.02477	16.1
86.02041	1.2
86.02504	7.1
87.05640	2.5
99.05641	13.4
101.07249	1.6
102.05628	1.8
109.02986	1.6
109.04109	3.0
111.05663	1.3
112.04092	2.5
123.05676	1.9
125.03613	1.9
127.05131	1.5
128.03551	44.1
135.04546	7.1
135.05659	3.1
137.02437	9.3
137.07196	1.4
141.06726	1.6
143.04636	53.7
145.06242	2.4
146.04646	4.6
147.69759	1.5
153.06700	2.0
154.98102	1.4
155.01706	1.6
155.98911	2.8
159.04593	1.6
161.02472	6.4
165.01851	1.5
166.09871	1.6
167.04587	1.7
167.98947	1.7
168.99675	1.3
169.02565	1.3
170.00455	21.2
171.01263	8.3
171.07748	3.6
178.98111	2.0
179.03340	2.8
179.04747	9.8
179.98883	6.9
180.99651	2.3
183.01199	3.0
185.05769	2.9
192.07793	1.5
195.01205	2.9
197.99947	17.2
210.08870	12.1
213.02283	42.2
227.03416	2.1
254.07886	17.9
272.08899	100.0
273.09299	3.2
294.90372	1.5
306.07611	5.4
316.04108	2.6
331.06479	10.0
338.88306	1.3
357.89786	1.1
360.03036	1.4
375.05511	6.6
456.10919	10.0
486.11899	2.2
495.99820	1.4
598.94250	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
74.77189	0.9
84.00941	2.0
96.20653	0.9
101.02464	1.2
135.04553	1.3
161.02420	1.8
204.05151	2.5
237.68826	1.1
355.22409	1.2
387.53140	1.2
487.34351	100.0
488.34760	9.7
548.28748	1.1
649.40387	2.1
692.40186	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	693.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80126	8.4
52.73149	8.7
56.54822	8.4
61.98812	9.7
62.84024	8.6
69.82899	34.3
72.99352	13.5
95.81252	9.9
96.95977	11.4
98.12110	9.6
98.22539	18.6
112.04058	9.8
116.92860	11.6
122.77640	10.0
123.04533	14.0
133.02943	38.2
135.04482	14.3
151.04062	22.9
161.02473	100.0
162.02849	15.3
169.56081	10.0
179.03604	12.1
618.37030	11.6
657.21844	26.8
693.19513	96.2
694.19446	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	693.241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01386	9.1
66.56181	0.2
70.47492	0.5
71.01386	4.5
71.47098	0.2
72.01767	0.2
72.99313	0.9
73.02962	0.8
75.30133	0.2
85.02961	4.2
87.00893	0.8
89.02455	3.0
89.03981	0.6
89.33655	0.3
95.01391	1.4
101.02474	1.5
104.02703	0.2
109.02959	1.2
113.02465	6.9
117.03509	1.7
119.03521	1.0
119.05053	0.4
123.04562	0.5
127.04023	0.5
132.02194	20.8
133.03072	1.1
134.03764	22.7
135.04620	2.3
137.02472	0.3
137.06119	0.6
142.49464	0.3
143.03525	0.5
147.04596	0.4
149.06100	2.8
152.04800	0.9
160.01683	74.6
161.02382	3.9
161.04533	0.5
167.07191	2.5
175.04030	100.0
176.04362	4.0
176.38538	0.3
178.02702	1.0
179.03510	0.8
193.05081	16.3
194.05482	0.4
197.04671	0.5
249.05632	0.3
265.05002	0.4
266.05814	0.3
267.06732	0.5
283.06180	0.4
285.07901	0.3
293.04553	0.5
295.06256	0.4
311.05652	0.6
321.04022	0.9
329.12552	1.5
339.05215	0.7
421.15292	0.4
432.57376	0.3
453.30481	0.3
457.16974	0.7
471.31186	2.3
475.18170	2.6
505.17188	2.4
517.19354	0.6
633.22235	1.8
634.21729	0.4
651.22986	12.8
652.23560	1.2
693.24042	21.1
694.24585	2.6
710.69580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
59.01385	9.0
66.54031	0.4
71.01389	5.5
72.99323	1.0
73.02959	0.6
83.01405	0.5
85.02960	4.4
87.00898	1.2
89.02457	2.8
89.03981	0.4
95.01382	0.8
96.96023	1.2
97.02952	0.4
101.02460	1.5
109.02975	1.6
113.02459	5.9
117.03446	1.8
119.03533	0.7
119.05064	0.5
123.04563	0.6
127.03979	0.4
132.02187	20.2
133.02957	1.2
134.03760	20.3
135.04620	2.5
147.04530	0.5
149.06090	2.6
152.04762	1.1
160.01678	71.3
161.02412	4.7
161.04579	0.7
162.03078	0.4
167.07137	2.5
175.04021	100.0
176.04366	3.6
177.05626	0.4
178.02826	1.0
179.03531	1.8
185.02380	0.4
193.05072	16.8
194.05397	0.6
197.04556	0.4
285.07571	0.4
289.12122	0.5
295.06174	0.6
321.04041	1.1
326.10507	0.3
329.12378	1.5
333.10974	0.7
339.05096	0.9
359.07785	0.5
457.17197	1.0
475.18204	3.1
495.07645	0.8
505.17120	3.1
513.08246	1.5
517.19385	0.6
585.10535	0.4
615.21381	0.4
633.22034	2.7
651.22992	10.9
652.23535	1.4
693.13544	0.7
693.24005	17.9
694.24554	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74308	5.6
55.51159	5.7
56.99490	5.6
57.98408	6.0
59.01377	22.3
61.98827	12.3
69.22533	14.8
69.22942	21.7
70.88432	5.2
71.01346	7.0
72.99326	15.2
75.48545	6.6
89.02464	8.0
102.95683	5.7
130.35342	5.4
133.02972	22.2
135.04561	37.6
136.75748	5.5
161.02461	49.7
179.03545	30.0
197.04633	8.0
209.11839	46.3
211.13408	100.0
227.12967	13.0
282.22653	6.5
313.52878	6.8
442.75238	6.3
447.22107	13.9
693.32385	31.3
694.33289	8.0
707.81488	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	693.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81226	1.1
69.18683	6.7
71.70557	1.1
72.00890	1.7
74.02472	1.8
78.73325	1.1
82.06635	2.6
93.03478	3.5
98.21881	2.1
109.02893	1.3
112.07704	2.5
116.05057	4.4
118.06651	4.6
119.05026	11.4
127.08826	1.3
129.10350	21.9
130.08777	3.2
134.06104	6.4
135.04517	3.7
139.08766	2.1
140.10832	2.4
155.08304	13.6
156.10359	1.7
158.11876	10.9
162.05618	1.2
163.04025	8.1
164.04335	1.5
169.09859	3.1
179.03505	1.5
180.06691	21.9
187.05165	5.3
187.10938	1.7
197.04562	1.7
213.14018	4.1
214.12558	1.5
231.14981	3.0
241.13437	1.9
249.16103	8.4
253.19217	3.3
256.14554	1.5
257.12961	6.7
271.20227	1.5
293.15036	13.5
309.19821	1.7
321.03946	2.9
352.20523	1.4
377.18573	1.8
421.17773	4.6
438.20358	1.5
513.77197	1.5
675.37744	2.7
693.38770	100.0
694.38953	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	693.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07340	1.1
58.00500	1.1
59.05555	1.1
61.98829	1.0
65.23476	1.0
67.36658	1.0
69.31222	6.2
69.50084	1.0
72.00917	2.1
72.99298	1.5
74.02481	1.9
75.06623	1.1
76.04891	1.1
82.06627	1.9
84.00869	1.2
93.03483	3.3
96.96014	1.8
109.02960	1.7
112.07699	1.6
114.09132	1.2
116.05058	4.1
118.06642	6.1
119.05031	10.4
125.68788	1.2
129.10362	21.5
130.08725	2.8
133.05336	2.5
134.06128	6.2
135.04543	3.6
136.07724	1.7
139.08788	3.3
140.10796	1.8
155.07124	2.0
155.08275	15.8
156.10329	1.7
158.11874	12.2
161.02475	1.6
162.05603	2.4
163.04021	6.2
169.09846	1.7
179.03551	1.8
180.06671	19.3
185.02365	1.6
187.05185	5.2
187.10934	1.9
197.04553	1.7
213.13971	4.4
216.13715	1.2
231.15001	2.8
247.14735	1.5
249.16060	8.6
256.14548	1.7
257.12958	6.1
259.14337	2.1
271.72235	1.3
275.13965	3.5
293.15076	13.0
309.19708	2.9
321.03870	2.8
326.22147	1.2
339.05243	2.7
352.20230	1.7
377.18655	1.3
394.21143	1.3
421.17545	3.2
438.20618	1.5
512.31030	1.3
584.59637	1.2
675.37579	2.6
693.38763	100.0
694.39276	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	693.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20106	0.5
65.34653	0.5
67.38814	0.4
96.96021	1.2
100.93136	0.4
107.11980	0.5
122.32755	0.5
140.94675	0.5
157.27306	0.5
204.11438	0.6
205.12259	0.8
221.15480	100.0
222.15836	4.9
262.08835	0.5
471.34848	16.0
471.41595	0.8
472.35022	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	695.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01084	4.9
59.01385	100.0
67.21130	2.2
71.01384	12.9
71.38487	2.4
87.00889	2.7
89.02467	14.8
99.00902	3.1
101.02451	5.4
113.02419	3.0
118.96624	19.0
132.98196	16.9
135.04529	4.4
141.00435	4.0
152.73889	2.5
154.97507	5.2
156.98137	12.8
156.99242	28.2
160.97731	15.4
161.04591	2.7
168.98222	2.6
172.97719	4.9
174.99245	10.3
179.05617	5.9
186.99191	5.5
191.05698	2.4
198.99266	6.4
201.02548	4.1
207.40227	2.1
210.99318	11.0
212.93835	2.7
215.98314	6.4
217.00322	20.3
226.98671	3.5
229.00261	5.1
230.95000	2.7
231.00719	8.5
243.03436	7.3
251.08018	2.9
254.95018	8.5
259.01437	13.4
272.95966	13.0
277.02393	3.9
290.96994	3.2
314.97223	15.9
326.96930	3.9
341.10916	54.2
342.11020	2.5
352.93430	3.1
356.98660	5.4
363.07675	4.9
369.66537	2.8
379.05737	6.7
400.96960	7.6
412.94293	2.8
417.00568	13.4
439.07748	74.0
477.03189	7.7
498.94263	4.7
536.97900	4.4
537.05084	19.7
555.66821	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	695.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.0
71.52691	0.5
72.99319	16.6
92.49007	0.5
98.21820	1.2
111.37952	0.4
123.04549	7.6
132.02211	1.1
133.02977	18.9
134.03761	0.5
135.04547	17.6
139.60248	0.5
148.04031	0.5
161.02466	100.0
162.02820	3.0
165.10260	0.5
179.03523	14.9
197.04579	20.7
198.04985	0.8
292.61548	0.5
298.12204	0.5
309.34842	0.5
359.07764	34.2
360.08057	2.2
431.19128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04085	0.8
57.03455	66.7
59.01384	9.5
65.98425	0.8
69.30228	2.7
69.30630	1.3
71.01379	1.6
72.99316	5.7
80.20201	0.8
84.20302	0.8
85.02965	1.8
96.96011	3.1
99.04533	65.8
99.92641	1.0
100.04860	1.0
101.02451	24.7
106.85611	0.8
109.02945	4.4
113.02506	0.8
122.06078	1.1
123.04543	2.2
125.02465	3.9
133.02966	7.6
134.03764	1.9
135.04562	15.1
136.04861	1.4
137.02477	1.1
145.03012	1.2
147.04520	0.9
149.02483	1.5
150.03197	1.3
151.04031	1.4
152.07193	0.7
160.01660	1.2
161.02530	29.3
161.04573	100.0
162.02815	4.8
162.04887	2.2
163.04079	1.1
175.03966	1.8
177.01964	1.2
178.02769	0.9
179.03532	8.4
180.03966	0.8
191.01944	1.1
195.65491	0.8
197.04517	4.6
237.05630	1.8
254.05563	1.0
255.06479	1.3
265.05002	2.4
266.05521	1.1
267.06516	1.9
268.07101	1.2
269.07953	0.9
277.04984	1.1
278.02206	1.2
278.05341	0.8
279.02988	2.9
279.06036	0.8
280.03793	1.3
281.00958	10.5
281.04163	1.3
283.06195	2.1
293.04608	5.1
294.01492	1.2
295.02573	1.6
295.05945	2.0
296.06851	1.6
308.03616	1.0
308.06900	4.2
309.00479	10.6
309.03821	1.8
310.01392	4.3
311.05579	5.2
311.09241	4.5
313.07132	1.5
314.07672	1.1
321.04077	4.1
322.04395	2.1
323.05707	1.3
323.09232	5.1
325.03549	1.5
326.08038	3.0
337.03522	1.2
338.07813	1.1
339.05161	2.1
341.10394	6.4
353.10339	2.8
359.07639	4.2
359.11560	1.7
360.08017	1.9
371.11426	22.9
372.11829	1.4
393.55173	1.0
469.33295	1.6
473.32483	2.5
487.34344	11.2
488.34152	0.9
489.34909	1.4
515.06238	7.5
517.07788	10.0
518.08209	1.6
521.18097	1.2
533.07117	1.1
533.18127	5.8
619.08832	2.1
651.11737	3.0
695.10364	2.2
695.22705	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	695.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69497	0.6
53.35317	0.6
55.58883	0.6
59.01388	2.3
69.20404	0.7
71.01393	3.2
73.02951	0.7
76.82298	0.6
78.87944	0.7
85.02953	1.6
98.22695	1.4
99.04718	0.7
101.02458	1.6
108.02171	1.5
109.02976	2.5
113.02464	1.2
113.73125	0.8
117.03500	1.3
121.02967	2.9
122.03750	1.5
123.04504	0.6
132.02190	22.5
133.03004	3.7
134.03761	26.7
135.04512	2.8
136.01682	34.7
137.02385	2.3
149.06082	5.2
151.04025	38.2
159.04495	0.8
160.01678	80.9
161.02415	5.9
162.02937	0.7
166.12384	0.7
175.04022	91.6
176.04539	4.2
178.02724	2.0
179.03506	1.9
183.90779	0.6
189.05573	1.3
191.07124	2.5
193.05084	19.0
197.04602	1.3
203.07147	0.7
217.05037	0.7
218.81989	0.7
250.25745	0.7
279.06387	1.1
294.08978	1.4
297.11301	1.0
312.10040	1.9
314.99768	0.8
323.54355	0.7
327.12463	6.7
332.24884	0.7
337.09323	100.0
338.09619	5.5
342.11072	1.2
343.11841	9.4
357.13464	13.4
358.13928	1.1
473.32861	1.4
514.34399	0.8
651.32507	3.3
695.23492	33.9
696.23907	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	695.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61860	1.1
56.88609	0.9
57.03455	1.2
58.00613	1.0
59.01387	70.7
71.01391	35.2
71.41286	1.2
72.99316	3.8
73.02958	5.0
77.11181	1.0
83.01396	3.3
85.02970	10.8
85.28242	0.9
87.00884	1.5
89.02454	28.5
95.01373	2.0
95.05036	1.2
99.04517	3.1
101.02453	21.1
107.05029	1.1
113.02475	12.8
119.03522	10.6
120.05845	1.7
121.05053	10.4
124.85722	0.9
133.02954	2.4
134.96936	1.1
135.04510	4.4
143.03488	1.7
149.06157	1.2
159.03032	1.0
161.02464	14.3
161.04526	6.0
161.09760	1.7
161.13390	15.5
167.84125	1.1
169.10237	1.2
172.34471	1.0
179.03555	1.9
179.05664	2.3
185.09709	1.1
187.11310	26.1
188.11703	1.2
197.04530	2.6
205.12376	17.5
229.12354	1.9
231.10178	1.5
247.13412	1.6
249.11330	4.1
263.03522	1.1
265.09290	2.0
282.88980	1.3
283.07355	1.7
283.10391	27.2
284.10458	1.0
310.72220	0.9
335.02087	1.9
359.07724	4.4
411.16602	1.6
459.61023	1.1
471.22336	4.3
515.21399	100.0
516.21771	7.5
695.27649	59.9
695.40131	1.6
696.27789	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	695.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
57.03439	1.3
58.00576	0.5
59.01386	27.2
61.84901	0.5
61.98830	1.0
67.90157	0.4
71.01388	23.5
71.05030	0.7
72.99309	1.7
73.02954	8.7
75.00872	0.6
83.01397	6.5
85.02458	0.9
85.02958	12.3
87.00872	0.8
89.02459	5.5
92.90763	0.5
95.01391	1.7
97.02975	0.5
99.00880	2.8
101.02454	34.9
113.02463	10.8
119.03487	0.8
125.02465	0.7
129.01915	0.6
131.03513	0.5
133.02945	0.7
134.03844	0.6
135.04536	2.0
143.03479	2.8
151.04022	0.6
159.03011	1.2
161.02472	3.3
161.04567	11.2
170.17853	0.5
179.03539	1.0
179.05600	1.0
209.04770	0.5
209.11861	2.3
211.13387	1.9
369.52988	0.5
411.28937	1.5
425.31094	0.7
441.30038	8.1
442.30594	0.7
447.59225	0.5
453.30167	4.7
454.30316	0.5
473.32767	23.2
474.33182	2.1
635.38043	100.0
636.38293	11.9
636.47931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97317	0.7
52.25022	1.0
59.49860	0.7
59.76329	0.6
60.64157	0.7
61.98831	1.1
71.30423	0.8
72.99316	3.6
93.03432	0.8
96.96025	6.1
97.96006	0.8
98.95609	1.6
100.61399	0.8
108.02164	1.3
109.02966	20.8
113.04022	0.8
121.02943	1.5
123.04515	0.9
134.02507	4.2
135.04520	2.5
148.04012	1.3
149.02428	1.8
150.03230	1.2
160.01756	0.9
160.04030	1.0
161.02414	1.8
173.96613	0.8
175.04068	1.4
185.02461	9.8
186.03238	2.1
188.03529	1.2
191.97351	0.8
193.06587	2.2
196.18445	0.8
197.04562	1.2
204.05788	1.2
209.06044	1.4
219.04515	1.9
220.05359	2.0
221.06056	5.3
223.03873	1.4
224.04756	1.1
225.05544	2.6
231.04463	0.9
232.05229	1.7
237.05624	2.0
247.03981	2.1
248.04712	2.2
249.05525	10.6
251.03510	3.6
252.04265	1.8
256.06039	1.2
257.06952	2.4
264.04376	1.9
265.05011	8.0
267.06613	3.5
268.06442	0.9
269.06888	2.2
275.03479	2.1
276.04263	1.9
277.05081	12.2
279.03003	12.6
280.03659	3.5
293.04544	14.6
294.05014	0.9
295.06149	8.9
297.38998	0.8
298.07059	1.2
303.03073	2.0
312.08655	1.7
321.04056	100.0
322.04486	5.3
330.06494	0.9
339.05072	24.7
340.05280	1.2
342.06168	1.2
343.85779	0.8
344.42764	0.9
356.07672	1.0
374.08823	26.0
379.44675	0.8
473.32700	1.0
645.59320	0.8
696.13666	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	696.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48062	0.7
54.83494	0.6
61.98838	100.0
67.61165	0.7
133.02991	4.6
134.03761	1.2
135.04546	1.7
161.02483	13.0
161.03796	0.6
206.66403	0.8
288.85474	0.7
355.55219	0.8
633.38092	26.0
634.38458	3.5
641.53467	0.7
694.39691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	41.6
61.98828	4.6
71.01383	24.3
73.02972	3.7
80.19288	2.3
83.01350	2.0
85.02977	5.2
87.00903	5.7
89.02458	25.5
93.98129	2.1
95.01358	2.7
97.02962	2.5
98.21857	7.7
101.02454	22.8
105.96529	2.2
113.02464	10.4
119.03506	7.8
125.02441	9.8
133.03004	2.2
133.04097	2.3
143.03481	3.8
156.18596	2.7
161.04533	5.0
179.05649	3.4
202.94296	2.2
235.08282	9.0
247.72508	2.5
255.23335	72.5
256.23846	2.7
287.07675	3.1
305.08795	5.8
397.13547	100.0
398.13824	2.5
415.14590	31.5
498.08633	2.2
653.37427	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	696.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	38.0
59.19950	2.7
61.98837	9.5
68.76753	2.8
71.01378	21.9
73.02960	3.5
78.98747	2.9
85.02976	5.4
87.00871	6.0
89.02454	25.7
97.03005	5.4
101.02475	23.1
103.81371	2.8
113.02502	10.9
116.92919	3.0
119.03505	6.7
121.02998	2.8
125.02467	9.1
135.04507	2.9
143.03510	4.8
161.04614	6.0
179.05606	6.1
184.37752	2.8
235.08273	12.8
253.09247	4.2
255.23323	74.1
256.23666	3.3
277.70963	3.2
287.07654	4.3
397.13541	100.0
398.13699	3.3
415.14581	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.9816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27975	0.6
59.01384	81.0
64.53690	0.7
69.71499	2.6
88.06932	0.6
93.71126	0.6
98.22550	0.8
132.98199	1.9
157.03554	3.2
159.01418	0.8
174.99258	28.9
201.02580	27.1
202.02768	0.9
217.00314	100.0
218.00645	1.4
237.54794	0.7
343.03748	2.2
345.37570	0.8
359.01508	84.5
360.01654	4.7
374.99161	6.2
501.02637	2.5
536.83917	0.7
568.92712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.0
61.98825	1.4
72.99306	3.1
75.00059	1.4
93.03462	5.6
96.96023	2.0
99.04552	1.3
105.03468	2.1
108.09448	1.4
109.02958	18.4
115.28468	1.3
119.05041	9.6
121.03050	1.4
123.04495	3.4
133.02966	4.2
135.04582	7.3
145.02953	1.6
147.04524	1.9
149.02455	4.4
150.03194	1.3
151.04030	4.3
157.02960	1.7
159.04518	2.5
163.04068	5.5
177.01982	3.0
179.03603	2.1
181.05070	7.7
185.02449	9.2
186.03238	1.8
191.05003	3.1
193.06590	4.1
197.04509	1.7
207.04562	3.8
209.06090	4.3
219.04553	6.1
220.05290	2.4
221.06059	6.4
232.05446	1.7
235.04071	7.3
236.04787	2.0
237.05525	8.3
247.03995	9.5
248.04742	5.4
249.05602	8.2
250.06328	3.3
251.03531	1.5
251.07014	1.6
263.03433	9.1
264.04266	3.4
265.05142	15.6
266.05676	2.9
267.06638	14.4
268.07294	2.3
275.03568	6.5
276.04257	3.2
277.05060	10.5
279.03030	5.2
279.06595	3.7
283.10019	1.5
291.02985	10.8
292.03772	2.7
293.04593	100.0
294.04968	4.9
295.06235	3.8
297.07626	1.6
311.05682	14.7
319.02509	64.5
320.02859	3.5
321.04041	18.5
323.05621	5.6
323.34756	1.7
337.03589	6.0
339.04941	6.7
427.08316	2.5
443.07626	2.3
471.07196	2.4
475.09872	2.4
489.08374	1.8
569.47729	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.0
61.98837	10.9
71.01392	8.2
72.99332	26.7
73.02946	7.8
87.56643	5.3
89.02440	8.1
101.02466	11.4
109.02965	20.3
118.33137	6.0
123.04524	6.1
133.02922	29.0
134.03778	10.2
135.04549	100.0
136.04834	7.3
141.83624	6.0
151.04047	7.3
161.02454	60.2
161.04539	10.3
162.02884	6.0
163.04010	6.9
171.10434	6.0
179.03540	54.2
179.72713	6.2
185.02458	10.7
186.03036	6.0
186.74995	5.5
193.05054	6.1
195.97299	5.2
197.04567	20.1
209.11795	6.5
211.49564	5.3
228.43648	5.4
241.09338	6.1
247.03961	8.8
279.02902	36.4
282.01511	6.5
294.01761	16.2
295.02426	18.3
306.01587	7.8
307.02432	15.0
309.04105	6.3
310.01007	8.3
319.02441	7.5
321.04016	6.7
322.01257	10.4
337.03491	19.9
339.05127	20.8
341.07858	7.3
370.53094	5.7
421.16428	5.5
456.92242	6.1
485.05188	24.9
487.34332	18.3
488.34601	21.1
517.07941	83.1
518.08594	5.8
665.09497	20.8
697.12054	64.4
698.12274	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24192	0.5
58.47691	0.7
63.32463	0.6
69.54343	0.9
69.54718	0.9
72.99316	49.9
84.58012	0.5
95.04982	0.7
98.21931	1.3
105.03497	0.7
107.04990	1.1
108.77087	0.6
109.02950	1.2
117.82015	0.7
123.04541	25.1
132.02182	3.9
133.02974	35.9
134.03789	5.9
135.04539	52.9
136.04840	1.4
149.06082	1.5
151.04007	2.9
160.01680	12.6
161.02463	100.0
162.02751	3.4
175.04018	16.6
179.03514	45.7
180.03868	1.3
193.05032	3.8
197.04572	50.6
198.04956	1.9
211.06091	4.6
224.05341	0.6
251.82443	0.6
269.75977	0.6
323.07620	6.4
337.09274	8.6
341.08453	0.8
359.07886	6.2
517.14001	1.1
521.13080	3.3
525.84473	0.6
535.14624	92.7
536.14850	6.5
697.17841	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	697.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79934	0.2
69.39124	1.0
72.99316	10.9
78.28106	0.2
89.03974	0.4
91.05548	0.5
93.03482	0.3
105.03460	0.4
106.04237	0.4
107.05043	1.9
109.02974	0.9
117.03503	0.7
123.04536	4.9
132.02171	1.3
133.01895	0.4
133.02977	20.4
134.03775	6.5
135.04541	98.6
136.04869	2.3
143.23972	0.2
151.04025	0.5
160.01692	1.8
161.02461	100.0
162.02802	3.2
175.04005	1.6
178.02901	0.3
179.03514	70.3
180.03859	1.9
193.05032	0.6
197.04567	16.0
198.04944	0.5
223.02522	0.7
275.24918	0.2
291.75760	0.2
323.07748	0.6
337.09250	1.3
359.07751	40.9
360.08072	2.2
373.09479	0.8
499.12411	0.4
503.11679	0.4
517.13605	6.3
518.13574	0.5
521.13049	3.2
522.12354	0.2
632.88031	0.3
637.30652	0.2
683.93689	0.3
697.17810	6.5
698.18036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.3
72.99313	7.8
77.17710	0.2
89.04012	0.4
98.21822	0.5
101.02480	0.3
105.03474	0.5
107.05051	0.6
109.02972	0.8
113.02490	0.2
117.03502	1.6
123.04534	3.8
124.30630	0.2
132.02191	2.4
133.01894	0.4
133.02974	21.7
134.03764	6.5
135.04544	32.2
136.01741	0.3
136.04872	0.5
137.22415	0.2
148.01657	0.4
149.06104	0.9
153.05519	0.2
160.00435	0.3
160.01685	4.7
161.02466	100.0
162.02817	2.1
163.04051	0.5
175.04028	7.2
177.05556	0.3
178.02765	1.5
179.03523	16.8
180.03860	0.3
181.05052	0.4
193.05096	4.5
197.04582	10.1
198.04974	0.3
203.03494	0.3
209.04652	0.3
210.33846	0.2
211.06157	0.5
217.04887	0.3
221.04572	0.4
254.05843	0.3
323.07779	5.5
324.08072	0.3
337.09335	4.4
341.08875	0.5
359.07758	27.1
360.08011	1.4
473.14566	1.5
475.12640	0.3
499.12531	21.0
500.12628	1.6
505.14136	0.4
516.12402	0.5
517.13385	2.7
518.13977	0.2
521.13104	1.1
534.14038	1.5
535.14801	0.9
666.23688	0.3
697.20050	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	697.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18397	0.7
72.99314	63.0
83.54769	0.7
107.05040	1.2
109.02934	1.5
114.00307	0.6
117.03471	0.8
122.03800	0.9
123.04536	21.5
131.25987	0.7
132.02158	1.9
133.02960	7.5
134.03769	6.5
135.04541	55.2
136.04860	1.4
151.04024	2.4
158.20035	0.6
160.01691	9.1
160.43689	0.7
161.02461	20.6
175.04028	10.7
178.02719	1.0
179.03513	48.7
180.03844	1.0
193.05043	2.1
197.04567	100.0
198.04918	2.2
200.81528	0.8
323.07782	1.3
337.09305	5.5
341.08731	1.3
359.09933	53.3
360.10144	2.3
517.13800	1.0
535.14630	99.2
536.15015	5.9
697.17493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
68.61046	0.4
71.01393	1.6
72.99330	0.6
73.02954	0.6
81.81723	0.4
85.02946	0.6
91.36160	0.4
93.03433	0.4
96.96016	1.2
98.21800	0.7
101.02447	1.0
105.03469	0.6
107.05035	0.9
108.02180	0.9
109.02953	7.5
111.00915	0.5
113.02483	0.8
117.03481	1.9
121.02980	0.5
122.03735	0.5
123.04559	2.4
132.02213	2.5
133.02974	40.8
134.03807	5.5
134.12097	0.4
135.04543	31.7
136.01678	4.5
136.04861	1.2
137.02448	1.3
139.03992	0.6
145.02933	0.5
146.03740	0.6
147.04526	0.6
148.01732	0.6
148.05356	0.7
149.02454	1.5
149.06064	1.6
150.03232	0.9
151.04042	4.1
153.05605	1.0
159.04556	0.5
160.01730	1.1
161.02464	100.0
162.02832	3.5
163.04025	1.8
164.04860	0.8
165.01961	0.6
165.05556	0.5
166.02739	6.0
167.03462	0.6
175.04016	3.7
177.01961	1.4
177.05574	4.6
178.02759	2.5
179.03514	19.4
179.10837	0.6
180.03857	0.8
181.05075	8.0
189.05594	0.6
193.05055	3.4
194.05644	0.5
197.04581	0.8
203.03531	1.7
220.03697	0.4
221.04588	3.6
249.55481	0.5
255.06715	0.6
263.05637	0.8
270.08868	0.6
280.05902	1.2
299.09180	0.6
323.07739	26.7
324.08109	1.6
329.10458	2.0
337.09424	0.9
343.11990	0.6
359.11487	2.1
499.12711	1.6
517.13654	4.9
518.14081	0.5
697.21423	60.1
698.09912	0.7
698.21741	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	697.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25780	1.0
53.94139	0.9
54.27616	0.9
59.01390	7.1
71.01393	4.0
72.99317	33.8
85.02976	1.9
99.04556	1.3
101.02473	2.8
107.05052	2.8
107.48952	1.0
108.02202	3.6
109.02955	4.4
113.02475	1.5
117.03471	2.5
119.05114	1.3
121.02972	4.0
122.03754	1.8
123.04542	18.1
132.02182	3.2
133.02969	33.2
134.03780	12.0
135.04546	86.3
136.01678	18.1
136.04872	2.2
137.02435	2.2
145.02962	8.9
147.04552	1.2
148.05391	1.2
149.02396	1.7
150.03209	3.6
151.04033	18.0
159.04459	1.3
160.01686	7.9
161.02467	100.0
161.06091	3.0
162.03065	6.8
163.04042	2.3
172.05370	1.3
172.90009	1.1
175.04033	12.4
177.05582	5.2
179.03531	51.4
180.03850	1.3
188.04871	1.5
189.05629	2.1
190.06410	2.0
193.05075	4.8
197.04587	36.8
197.06398	2.1
211.06116	2.5
253.05066	3.7
265.05020	1.4
266.05869	1.8
267.06631	3.3
269.04556	6.4
280.07288	1.5
281.04602	8.4
281.07941	1.7
283.06204	1.2
284.06976	3.5
287.22385	1.6
295.06128	1.4
296.06940	8.0
299.09387	6.2
307.08200	6.5
309.07574	1.1
311.09192	6.6
321.07645	1.4
323.07849	3.7
331.19165	1.4
336.09927	2.4
337.09277	8.0
339.12302	3.5
359.07388	17.2
360.07880	1.7
399.14285	1.4
408.69626	1.4
427.11682	1.7
442.14276	2.8
449.27124	5.7
457.17166	1.2
459.14078	1.6
460.15063	1.5
472.15619	2.6
475.18365	6.7
485.14865	2.9
487.14160	5.1
487.18872	1.1
490.15976	2.8
491.28564	4.0
499.12207	1.1
502.16547	5.4
505.18762	60.0
506.19199	4.3
517.18860	98.3
518.19122	7.7
521.12946	3.3
535.14380	55.4
536.14624	6.7
608.87744	1.2
611.33307	1.2
653.33942	10.6
661.31940	1.3
697.17719	6.3
697.30164	2.8
698.17834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
59.01132	1.2
59.01391	15.3
61.98833	1.7
63.43916	1.2
71.01374	5.3
72.99326	7.0
73.02961	1.7
85.02962	2.8
88.98849	1.5
96.96019	1.5
98.22646	2.6
99.04545	1.5
101.02451	4.9
107.05000	1.2
109.02930	1.4
112.98808	1.8
113.02415	1.4
117.03504	2.2
119.03606	1.4
119.05054	1.9
121.02965	3.5
123.04543	4.3
124.01596	1.3
125.02452	1.7
132.02194	25.3
133.02992	9.0
134.03767	28.3
135.04559	26.3
145.03004	1.6
147.04529	2.2
148.09393	1.1
149.06107	6.9
151.03983	1.6
153.83542	1.2
159.04535	4.1
160.01682	98.1
160.05276	8.9
161.02478	27.8
161.04530	1.4
161.06023	2.4
162.02797	1.8
163.03999	2.0
164.04825	1.9
173.06158	1.6
175.04027	100.0
175.07532	7.8
176.04407	4.7
177.05534	1.4
178.02621	1.8
178.06310	4.1
179.03520	18.8
179.73557	1.2
191.07208	1.6
193.05078	24.2
197.04582	10.2
217.05029	1.6
269.08215	8.9
271.09662	1.3
280.03433	1.4
281.08185	2.7
283.09775	4.0
299.09116	5.8
307.04501	1.6
309.04193	2.9
311.09354	11.0
314.11581	12.5
315.12326	3.1
326.11597	7.0
329.10306	2.0
329.14008	23.1
337.09326	94.1
338.09830	3.0
341.06537	2.1
341.13922	4.7
345.13428	3.5
359.07773	5.0
359.10428	1.8
489.27209	2.5
495.92874	1.4
503.12192	2.2
507.28299	10.3
525.29150	3.0
535.14648	10.3
545.49780	1.3
549.29297	1.6
567.30414	3.3
569.23114	1.6
697.25043	49.5
698.25604	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	698.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36569	0.6
54.49069	0.7
59.01286	17.6
59.01620	3.4
59.40315	0.6
62.64258	0.6
70.94036	0.5
71.01285	7.0
71.40614	0.7
72.99210	2.8
73.02879	1.2
73.03239	0.8
80.04999	1.5
81.34918	0.7
85.02843	1.7
89.02335	5.6
95.01244	0.7
101.02327	5.1
104.04961	1.0
106.06489	2.6
108.04495	1.2
113.02315	2.8
119.03391	1.5
122.06046	1.4
123.04395	1.4
131.03549	0.7
132.02150	0.7
132.04475	1.3
133.02791	3.3
134.03659	1.2
134.06145	12.7
134.07065	1.1
135.04543	9.6
136.04776	1.4
136.07555	1.5
146.06049	1.5
148.03900	0.9
152.07211	3.6
160.01482	0.7
161.02466	15.1
162.02821	4.0
174.05530	1.2
175.03854	1.2
179.03514	5.2
180.06444	2.8
188.07178	5.7
193.04933	0.8
197.04547	4.2
211.08601	1.8
217.80128	0.7
223.08568	0.8
223.12076	0.7
225.10126	2.8
227.11638	1.9
235.08592	0.7
237.10217	1.2
238.07341	1.8
239.11646	2.1
249.10234	1.5
251.08322	3.4
251.11790	1.6
252.09026	3.4
253.09795	6.7
263.07965	2.0
264.08771	1.8
265.09705	3.5
267.11374	5.2
274.00262	0.7
277.09644	2.9
279.07608	3.7
279.11185	4.9
291.07541	1.2
292.08566	3.1
293.09274	7.6
294.09836	2.4
295.10867	12.0
305.09122	2.3
307.10947	8.6
320.08109	0.8
321.08920	4.4
323.10388	1.1
333.08575	2.7
339.09882	3.7
339.72238	0.7
351.09921	3.2
359.07391	1.8
360.07809	1.6
372.17169	1.3
412.16403	1.0
414.17947	1.0
440.16046	2.8
442.18069	0.7
458.16968	1.3
468.15460	2.7
486.16672	1.9
499.12216	0.9
500.12811	3.3
620.22272	1.9
622.23944	1.4
638.23785	3.9
648.22150	2.0
666.23132	100.0
667.23492	9.2
698.25763	23.6
699.25879	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	698.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23219	0.1
59.01382	0.3
61.98836	100.0
72.99337	0.3
88.33893	0.1
133.02971	0.6
135.04541	1.9
137.02499	0.4
148.01680	0.2
149.02440	0.2
161.02466	1.9
171.78513	0.1
172.69197	0.1
179.03531	2.2
179.28366	0.2
181.17009	0.1
207.03059	0.5
225.04123	0.2
267.06595	0.2
311.05695	0.5
534.93469	0.2
638.39313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
61.98838	1.5
64.60130	1.0
68.99802	1.0
72.01181	1.0
72.99315	2.4
83.91091	1.0
96.96027	2.1
99.35363	1.0
105.03431	1.3
107.05021	1.7
109.02943	10.6
119.01408	2.7
121.02964	2.6
132.02139	1.1
133.02980	15.6
134.03729	4.3
135.04546	76.7
136.04828	2.5
137.02457	23.1
147.00885	4.3
147.70906	1.2
148.01694	11.4
149.02425	5.3
150.03261	5.4
161.02463	39.0
162.02800	2.3
165.44171	0.9
175.00371	2.4
177.01984	1.4
179.03516	100.0
180.03816	3.7
207.03015	29.6
209.11868	1.6
225.04076	17.0
267.06583	16.5
311.05664	21.4
312.05823	1.4
341.06525	5.6
387.07202	6.9
491.16101	1.2
514.02496	1.1
698.41174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1365
Annotation	Theaflavate B
Peak:m/z	Relative Intensity
58.83259	0.4
59.01368	0.4
61.98824	0.4
67.61681	0.4
69.25762	0.9
69.26167	1.0
72.99318	4.1
78.91881	0.4
81.03453	0.5
91.01889	0.4
93.03436	0.4
96.96059	0.4
100.92097	0.3
108.02185	1.9
109.02963	45.3
110.03303	1.3
112.21000	0.3
115.05595	0.5
116.92884	0.4
117.03477	0.4
119.01440	0.4
121.02959	0.9
123.04526	5.7
124.04927	0.4
125.12117	0.4
133.02969	1.6
134.03749	0.5
135.04546	8.3
136.01660	0.8
137.02458	1.7
141.03531	0.4
142.78249	0.3
145.02962	1.4
147.00958	0.8
147.04530	1.5
149.02454	2.8
151.04013	1.0
157.02942	1.8
158.03737	0.7
159.04530	2.7
160.01585	0.3
161.02473	5.9
162.02768	0.4
165.01932	1.6
173.02441	2.4
174.03233	0.8
175.04054	0.7
177.60324	0.4
179.03510	7.4
180.04170	0.5
185.02455	27.5
186.03223	7.8
187.03900	0.5
193.06589	1.1
195.04462	0.4
197.04524	2.6
197.06068	0.4
201.01868	0.5
206.02156	0.5
208.05341	0.6
209.06171	1.7
211.04266	0.5
211.05881	1.6
213.01935	0.5
220.05307	0.6
221.06181	2.4
223.04028	0.9
223.07617	0.7
224.04794	1.2
225.05582	4.5
232.05180	0.8
232.17816	0.4
237.05566	1.6
238.06400	0.5
239.07124	2.4
247.03833	0.6
248.04829	2.0
249.05589	6.0
250.06213	1.0
251.03566	2.7
251.07196	1.2
252.04346	3.3
253.05016	1.1
260.04700	0.6
265.05038	2.7
266.05914	1.7
267.03839	0.5
267.06653	5.6
269.08289	1.3
275.03412	0.5
276.04236	1.3
277.05087	11.9
278.05658	1.3
279.03018	11.0
280.03775	8.2
281.04294	0.6
285.12567	0.8
293.04581	7.4
293.07620	0.7
294.05252	1.1
295.06140	26.4
296.06482	1.8
303.03094	0.7
313.07257	1.0
321.04062	22.4
322.04672	2.2
339.05112	100.0
340.05408	6.5
341.06406	0.4
343.08228	0.5
359.07693	1.3
379.04449	0.6
475.10330	1.0
501.08371	3.1
503.09796	0.4
519.09222	0.8
527.28149	0.4
607.22498	0.5
639.24194	0.4
672.41162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01384	0.7
64.09252	0.6
71.76118	0.5
72.99313	6.0
81.03487	0.9
81.72743	0.6
104.70828	0.6
105.23643	0.5
108.02191	2.0
109.02962	50.9
110.03284	1.0
112.89371	0.6
121.02988	1.6
123.04525	3.5
124.87707	0.5
129.03464	0.8
133.02985	1.7
134.03670	0.8
135.04532	9.2
137.02501	2.9
145.03001	1.3
147.00890	1.1
147.04526	1.2
149.02464	4.0
151.04013	2.5
157.02936	2.0
158.03760	1.0
159.04559	3.0
161.02440	2.3
165.01932	4.1
173.02454	2.5
175.03964	0.6
179.03522	6.1
183.04404	0.6
185.02452	32.2
186.03226	10.3
188.79764	0.6
193.06599	0.8
197.04596	4.3
197.06068	1.2
200.84207	0.7
201.01959	1.1
209.06113	2.3
211.04262	0.7
213.05557	0.8
219.04733	0.6
220.05312	0.6
221.06139	3.5
223.03917	0.7
223.07726	0.6
224.04803	1.3
225.05591	4.1
232.05193	1.1
233.06003	0.9
235.03934	1.1
236.04788	1.1
237.05571	1.8
239.07094	2.0
247.04047	1.3
247.47897	0.6
248.04800	1.8
249.05606	7.4
250.06367	1.3
251.03546	3.9
251.07211	0.8
252.04367	3.2
253.05063	2.1
264.04205	1.4
265.05066	4.2
266.05698	3.0
267.06638	6.4
269.08182	2.2
275.03564	1.4
276.04242	1.9
277.05072	15.6
278.05667	1.4
279.03006	13.7
279.05975	1.2
280.03778	8.4
281.04379	1.1
292.03806	1.6
293.04544	11.3
294.05173	2.2
295.06140	30.5
296.06580	1.7
303.03006	0.7
307.06030	0.7
311.05643	1.3
313.07254	1.0
319.02591	1.1
320.03278	1.5
321.04044	36.1
322.04477	3.5
335.05542	3.6
339.05112	100.0
340.05383	7.1
353.06677	1.3
473.08914	1.1
475.10193	0.8
501.08307	3.5
503.10101	2.0
519.09766	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21985	0.4
63.59774	0.5
68.50391	0.5
72.99321	2.7
81.03456	0.5
100.08003	0.5
108.02193	1.4
109.02963	38.7
110.03262	1.0
115.05516	0.7
121.02953	1.3
123.04531	5.1
130.12688	0.5
135.04532	2.8
137.02444	1.3
138.28575	0.5
141.03505	0.5
145.02960	1.6
147.04535	1.7
149.02464	2.1
157.02974	1.4
157.26631	0.4
158.03746	0.6
159.04501	2.4
161.02428	0.5
165.01958	0.7
168.67049	0.4
173.02464	2.2
174.03259	0.6
179.03526	3.1
184.01517	0.6
185.02451	27.9
186.03218	6.9
193.06650	0.8
197.04559	2.3
197.06166	0.8
201.01804	0.5
206.02341	0.7
208.05226	0.4
209.06071	1.9
211.06062	2.3
213.01959	0.5
220.05278	0.7
221.06151	3.3
222.06917	0.4
223.04056	0.6
224.04817	1.5
225.05585	4.2
232.05486	0.6
233.05977	0.5
237.05563	1.2
239.07147	2.8
247.04027	0.8
248.04768	1.9
249.05580	7.5
250.06284	1.2
251.03574	2.9
251.07076	1.1
252.04280	3.2
260.04813	0.6
264.04300	0.6
265.05093	3.8
266.05832	1.6
266.69580	0.5
267.06653	5.6
275.03693	0.5
276.04291	2.0
277.05090	11.6
278.05756	0.9
279.03015	10.9
280.03763	7.3
292.03577	0.6
293.04630	7.6
294.05173	1.1
295.06152	25.5
296.06491	1.7
303.03210	0.8
304.04086	0.7
321.04056	31.2
322.04456	2.7
339.05106	100.0
340.05457	6.1
379.04639	0.6
439.01398	0.4
457.09271	0.6
501.08264	2.5
502.09064	0.5
503.09973	0.4
511.47427	0.5
519.09515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73518	0.4
69.73873	1.1
72.99307	2.9
73.05712	0.4
81.03459	0.6
93.03463	0.5
94.87820	0.3
95.99123	0.3
95.99773	0.3
98.21854	0.3
103.19337	0.3
108.02191	2.5
109.02966	40.6
110.03298	0.7
121.02978	1.5
121.05089	0.3
123.04546	4.7
124.04888	0.3
133.02988	0.4
135.04556	6.3
136.01668	0.6
137.02470	1.0
141.03487	0.6
145.02957	1.5
145.26123	0.3
147.00931	0.4
147.04509	2.3
149.02469	2.0
150.03166	0.3
151.04022	1.1
157.02957	2.0
158.03711	1.1
159.04561	2.5
160.01733	0.4
161.02463	0.9
164.01144	0.3
165.01987	1.1
173.02466	2.3
174.03276	0.9
175.03943	0.4
179.03502	4.6
185.02461	24.4
186.03241	7.1
187.03827	0.4
193.06598	1.4
195.04416	0.3
197.04578	2.8
197.06105	0.8
201.01942	0.8
204.05838	0.6
205.06548	0.4
206.02191	0.4
208.05324	0.7
209.06134	1.4
211.06142	1.4
213.01878	0.6
219.04510	0.6
220.05289	0.7
221.06094	3.1
222.06538	0.5
223.04065	1.1
223.07600	0.5
224.04814	1.4
225.05595	3.7
229.01343	0.3
232.05406	0.8
233.06216	0.5
235.04057	0.7
236.04745	0.6
237.05608	1.5
238.06311	0.5
239.07158	2.0
247.04036	0.6
248.04790	2.0
249.05595	7.2
250.02919	0.3
250.06264	1.3
251.03465	3.0
251.07289	0.5
252.04288	2.8
253.05006	1.1
254.73915	0.4
260.04718	0.6
264.04178	0.7
265.05032	3.3
266.05835	1.7
267.06656	4.7
269.04883	0.6
269.08246	1.6
275.03427	0.7
276.04239	2.0
277.05084	9.2
278.05695	1.1
279.03021	12.1
280.03793	5.9
293.02118	0.2
293.04593	8.7
294.05273	1.4
295.06152	22.3
296.06485	1.1
303.03000	1.0
304.03647	0.6
313.07370	0.5
319.02350	0.8
321.04068	31.1
322.04578	2.9
339.05118	100.0
340.05405	5.0
359.07544	0.7
379.04541	0.4
457.09579	0.3
475.10065	0.5
501.08371	3.7
502.08911	0.5
503.09909	1.0
519.09479	1.9
520.10590	0.4
699.13513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84564	0.9
51.10312	1.0
58.57355	1.0
69.80865	1.6
69.81199	2.1
72.68363	1.0
72.99314	13.3
75.06580	0.9
89.03969	1.2
93.03452	1.3
96.96012	2.1
108.02182	1.7
109.02964	87.7
110.03345	1.5
117.03482	3.2
117.34972	1.1
121.02933	2.9
123.04540	17.4
129.03502	1.2
133.02959	1.3
135.04538	17.8
141.03462	1.6
145.02957	3.1
147.04538	4.7
149.02434	5.4
151.04056	2.3
153.65958	1.1
157.02968	6.6
158.03735	1.5
159.04535	12.0
161.02443	1.6
163.04135	1.4
173.02463	9.1
174.03130	1.3
175.04092	2.8
179.03499	9.3
185.02454	100.0
186.03177	13.1
187.03973	1.4
193.06725	1.2
197.04564	11.7
197.06204	1.8
203.03508	2.8
209.05998	1.9
211.06133	4.0
219.04716	1.6
220.05272	1.1
221.06207	3.3
224.04655	1.4
225.05603	1.5
237.05473	3.4
239.07147	2.8
247.04094	2.0
248.04738	3.0
249.05562	6.8
250.06287	2.6
251.03461	2.0
252.04285	2.0
253.05101	1.5
264.04245	1.1
265.05096	7.2
266.05820	4.7
267.06662	21.6
269.08194	1.9
276.04379	2.0
277.05142	7.6
279.02997	5.8
279.06082	1.2
280.03812	2.8
292.03653	1.6
293.04593	34.8
294.05045	3.7
295.06137	82.1
296.06461	4.5
308.13586	1.2
311.05621	27.2
312.05817	2.2
313.07233	2.5
319.02252	1.5
321.04089	25.2
322.04340	2.2
324.32938	1.1
339.05124	15.6
341.06894	1.4
353.06519	2.1
359.07660	7.6
361.09439	9.7
457.09381	3.4
491.09894	3.1
519.09302	4.8
655.14380	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	699.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67308	2.4
61.98838	8.0
69.92996	8.3
72.99325	4.8
84.60392	2.5
105.69452	2.8
131.64160	2.7
133.02954	3.2
134.03757	10.4
135.04541	86.6
146.73802	2.7
149.81638	2.6
151.48521	2.4
161.02472	9.9
171.10291	5.2
179.02042	5.4
179.03517	67.0
228.45341	3.4
401.17441	5.9
417.17014	5.2
443.15228	3.1
445.16873	3.8
476.18457	17.4
504.10779	5.8
504.17944	85.0
505.18365	5.7
519.20251	100.0
520.20636	7.2
537.21393	19.8
699.24335	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	699.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04813	0.6
59.01383	2.1
61.98819	1.6
65.84769	0.6
72.99325	1.2
80.58974	0.5
88.17471	0.6
93.86317	0.6
96.96006	1.9
109.02943	1.6
119.05013	1.0
123.04540	1.1
124.01534	1.1
133.02939	2.5
134.03795	0.7
135.04538	4.3
151.04019	0.9
160.01697	0.8
161.02451	6.8
175.04016	0.9
178.73907	0.6
179.03490	2.6
197.02219	4.8
197.04649	1.0
237.05644	0.6
267.06503	0.6
293.04636	0.7
296.01971	2.6
303.61603	0.7
311.05731	1.1
313.07199	0.7
317.50946	0.6
321.04068	1.0
355.26654	1.2
359.08249	0.7
409.30841	1.0
411.29050	0.8
423.29163	0.8
441.29861	0.9
453.30151	6.1
483.31100	7.2
501.32281	100.0
502.32587	9.1
527.38062	0.6
643.34460	0.6
699.35413	14.8
700.35510	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.6
61.98835	100.0
69.90661	2.6
92.14321	1.1
98.21965	1.5
106.61340	1.2
107.75214	1.0
122.86289	1.2
161.93736	1.2
170.72267	1.2
334.25769	1.0
347.05432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93068	5.9
61.98834	6.6
70.20787	6.1
70.21105	10.3
78.95930	7.7
79.29308	6.7
80.09117	5.9
82.24868	6.6
85.60739	5.8
92.92816	6.4
98.21889	5.9
98.34648	5.7
183.27591	5.6
236.98138	6.9
255.23378	13.3
393.19305	6.9
493.03268	6.1
496.13712	9.4
571.18219	7.8
657.21985	15.0
700.22675	100.0
701.23663	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	701.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42195	0.3
59.01390	0.6
70.85071	0.7
72.99317	10.4
107.05065	0.8
109.02946	3.4
117.03448	0.5
121.02936	0.7
123.04529	4.8
132.02179	1.3
133.02974	20.8
134.03754	1.4
134.06102	0.4
135.04546	30.4
136.01645	0.8
136.04883	0.8
137.02419	1.1
145.02992	0.4
149.02472	0.9
151.04071	0.6
161.02466	100.0
162.02817	2.6
165.01927	0.6
174.03360	0.4
175.04002	0.5
177.01913	0.8
179.03522	21.5
180.03944	1.0
197.04570	15.4
197.06389	0.8
201.01996	0.5
219.02814	0.5
253.04915	0.5
262.88162	0.5
265.04941	1.0
269.39877	0.4
269.51099	0.4
281.04648	1.6
282.05368	2.9
295.06079	0.4
297.07715	2.9
311.05582	0.6
313.07047	1.0
321.04114	0.6
337.06985	1.0
340.05780	0.6
341.06671	12.1
342.06860	0.6
343.08286	1.2
359.07767	30.1
360.08203	1.1
367.04681	0.9
373.78583	0.4
389.08990	0.7
399.07373	0.9
414.01678	0.5
521.10699	1.4
539.12170	0.8
569.85315	0.5
627.24670	0.9
662.24481	0.4
729.42029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31794	0.9
55.66851	1.0
60.24047	0.8
72.99308	2.7
88.18824	0.9
93.03458	3.2
108.02152	1.0
109.02962	26.9
112.20090	0.9
121.02887	0.9
123.04513	1.8
133.34935	0.9
135.04541	7.5
137.02412	1.3
137.70404	1.0
145.03008	2.0
147.04529	1.9
157.02971	2.4
159.04506	2.9
160.01578	0.9
161.02475	1.4
165.01923	1.0
173.02483	2.5
175.04045	1.9
177.64452	0.8
179.03479	2.1
181.05151	1.1
185.02455	23.7
186.03221	4.8
197.04549	2.6
197.06128	1.1
204.05742	1.0
208.05307	1.1
209.06107	1.3
219.04567	1.2
221.06117	3.7
223.04037	1.4
225.05548	2.4
232.05196	1.3
236.04654	0.9
237.05496	2.1
239.07054	2.3
247.04083	2.2
247.55133	1.0
248.04779	2.3
249.05544	9.3
251.03490	6.0
252.04457	2.2
260.04727	1.0
264.04269	1.4
265.05087	7.3
266.05963	1.3
267.06671	6.1
275.03574	1.5
276.04416	2.5
277.05099	12.7
278.02374	1.0
278.05557	1.5
279.03036	17.7
279.06094	1.3
280.03806	4.3
292.03766	1.2
293.04611	12.8
295.06137	23.2
303.02951	3.7
305.04483	7.5
321.04056	100.0
322.04449	4.5
323.05585	3.8
339.05112	35.6
340.05289	1.5
503.09894	15.2
519.09357	24.2
520.09558	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	701.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90126	0.2
67.55631	0.3
72.99314	11.2
83.76141	0.2
89.04034	0.3
92.52879	0.3
95.05020	0.3
104.11314	0.3
105.03471	0.3
108.02184	1.0
109.02963	4.3
117.03474	0.3
119.01514	0.3
121.02992	0.7
123.04535	4.7
132.02162	1.1
133.02972	20.3
134.03740	1.1
135.04539	23.0
136.01709	1.3
136.04842	0.7
137.02451	1.5
147.00952	0.6
149.02428	0.6
150.03239	0.3
151.04051	0.8
161.02461	100.0
162.02802	2.5
165.01973	3.1
174.03268	0.4
175.03951	0.3
177.01929	0.8
178.02632	0.5
179.03517	20.6
180.04286	2.0
197.04576	14.3
197.56093	0.3
198.04947	0.4
201.01981	0.5
209.06000	0.4
219.02905	0.3
223.02478	0.6
237.05565	0.5
253.05013	0.4
265.05084	0.8
266.05707	1.3
267.06625	0.3
281.04541	0.8
282.05380	2.2
297.04285	0.4
297.07690	3.2
298.08200	0.4
313.07346	0.6
323.05832	0.3
337.07178	0.5
341.06656	6.8
342.07144	0.3
343.08304	1.7
357.06372	0.4
359.07767	28.0
360.08154	1.8
367.04663	0.3
402.85120	0.3
521.11133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27717	0.7
69.68182	1.0
69.68844	2.6
72.99313	3.7
79.45005	0.8
93.03468	5.9
99.04244	0.8
108.02191	0.8
109.02964	35.8
121.02988	1.2
123.04527	1.8
135.04544	11.3
145.02959	2.2
147.04547	1.9
149.02390	1.6
157.02945	2.2
159.04500	2.8
173.02441	2.2
175.04025	1.4
178.16957	0.8
179.03455	2.0
181.05113	1.0
184.01640	0.9
185.00865	1.7
185.02466	31.7
186.03233	6.8
193.06612	2.1
197.04572	3.1
200.10565	0.8
204.05798	1.0
209.06116	1.6
220.05220	1.2
221.06091	5.5
223.04013	1.4
223.07733	1.2
225.05594	2.1
229.01382	1.5
232.05260	2.2
232.39857	0.8
233.06096	2.5
235.03882	0.8
237.05478	2.5
239.07170	1.8
247.04013	1.8
248.04755	3.1
249.05580	12.4
250.02576	0.9
251.03552	5.7
251.07182	1.4
252.04205	2.2
260.04840	1.8
261.05646	1.5
264.04230	1.7
265.05078	9.9
266.05881	1.6
267.06686	4.5
275.03598	1.3
276.04294	2.3
277.05051	17.1
278.05655	1.4
279.02979	18.0
279.06519	3.4
280.03833	6.4
292.03586	1.0
293.04575	14.8
295.06113	26.0
303.02975	3.7
305.04532	8.9
308.19217	0.9
313.06491	1.0
321.04056	100.0
322.04398	3.1
323.05505	5.5
339.05087	26.3
493.11398	1.5
503.09924	8.0
504.10602	0.9
519.09344	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	701.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44054	0.8
57.01740	0.7
57.03442	2.7
59.01378	1.8
61.98830	1.0
68.13335	0.7
71.42697	0.8
72.99319	9.6
74.06163	0.7
96.96034	2.1
101.02477	0.9
102.52888	0.7
108.02187	2.3
109.02966	53.8
116.58202	0.7
121.02944	3.7
123.04542	4.6
133.02962	5.2
134.03760	1.7
135.04533	18.1
137.02460	1.5
145.02991	2.3
147.04546	2.7
148.01720	1.4
149.02472	2.7
150.03230	0.9
151.04044	6.5
157.02962	1.4
158.03705	1.0
159.04555	5.2
161.02467	15.7
173.02463	2.7
177.02008	1.0
179.03545	8.0
181.05042	1.1
182.28503	0.7
183.45627	0.8
185.02458	25.7
186.03235	7.7
195.02940	1.5
197.04584	9.9
197.06161	1.7
208.05281	1.0
209.06042	2.0
211.07785	1.4
221.06021	2.4
223.07597	1.2
224.04895	1.4
225.05560	6.0
236.04837	1.0
237.05670	0.9
239.07169	3.0
248.04839	1.1
249.05571	5.7
250.06288	0.9
251.03532	2.1
251.07237	0.8
252.04269	3.3
254.05988	0.9
255.06503	0.8
256.70047	0.8
265.05148	1.8
266.05869	1.8
267.06656	7.0
269.08261	2.6
276.04404	1.4
277.05078	11.2
278.05612	1.1
279.02972	6.1
280.03809	7.7
283.06213	1.3
285.07840	1.0
293.04782	3.7
294.05341	1.4
295.06137	37.2
296.06482	1.5
311.05649	1.2
321.04056	6.9
323.05576	1.0
329.06708	1.6
339.05127	100.0
340.05472	3.5
357.06323	2.9
359.07779	2.0
361.09338	14.6
377.08704	2.1
460.77750	0.9
503.09689	1.4
503.33807	3.2
519.09613	4.4
539.11987	3.3
701.36334	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	701.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16140	0.9
58.57427	0.7
59.01390	1.3
61.98832	3.4
71.01387	1.1
72.95800	0.8
72.99315	12.2
74.23595	0.9
82.95467	1.0
98.22623	1.7
102.43577	0.8
108.02120	1.0
109.02951	4.9
109.87125	0.7
114.50484	0.9
116.92866	0.9
123.04524	5.7
132.76004	0.7
133.02977	20.6
134.03760	1.4
135.04544	24.3
136.01688	1.0
136.04881	1.2
137.02458	2.8
151.04079	0.9
161.02463	100.0
162.02815	2.2
165.01917	3.3
177.02061	0.9
179.03506	21.9
180.04228	3.2
197.04576	15.1
200.86490	0.7
211.13336	1.1
252.66426	0.8
264.04742	1.0
265.05222	0.9
266.05832	1.3
267.06543	0.9
282.05511	1.3
283.10870	1.1
293.04559	1.3
297.07724	3.2
298.08359	1.1
321.04022	1.1
341.06595	4.7
343.08182	2.0
359.07758	28.7
360.07855	1.5
505.03882	0.9
521.10815	1.4
631.21844	1.6
663.24481	1.4
669.16699	1.9
701.19501	2.2
701.30963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84355	2.1
72.99311	10.8
93.03463	1.5
108.02215	0.7
109.02968	7.6
117.03480	0.7
121.02965	2.2
123.04540	10.7
124.01703	1.0
124.40965	0.5
132.02184	1.9
133.02977	24.6
133.88100	0.7
135.03514	1.0
135.04532	15.6
137.02458	4.8
138.03252	1.4
145.03032	1.0
147.04570	1.0
149.02460	5.7
150.03247	8.3
151.04013	9.0
161.02463	100.0
162.02780	3.0
165.01906	0.9
165.99677	0.7
166.02660	0.7
170.39774	0.6
173.02472	1.3
174.03273	2.5
179.03517	12.6
180.15431	0.7
181.05119	1.2
194.02275	0.7
195.03006	9.0
197.04578	5.6
197.06172	0.9
201.01897	1.4
209.04515	1.0
211.06160	1.5
212.03317	1.3
227.05591	3.6
233.51874	0.6
237.05608	1.4
244.45749	0.6
249.05476	0.7
253.04871	0.6
254.05896	1.3
255.06700	1.4
265.05008	1.9
266.05759	0.9
267.06659	4.6
281.04688	1.2
282.05362	2.3
283.06076	5.2
295.33249	0.7
297.07825	1.9
298.04886	0.9
309.04041	0.7
311.05646	22.8
312.06210	1.4
313.07092	3.1
341.06738	9.6
359.07751	24.7
360.07910	0.7
377.09003	1.2
389.08817	29.5
390.09274	1.3
399.07224	4.8
521.10895	7.3
539.11975	21.8
540.12360	2.1
551.11188	0.7
633.08234	0.8
730.17999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90658	0.7
57.03457	0.9
59.01382	1.9
66.55157	0.9
69.01608	0.7
70.79674	0.9
72.99319	18.4
77.25188	0.7
86.98414	0.7
93.03467	0.8
96.89861	0.7
96.96030	1.4
105.03511	1.1
109.02981	10.1
117.03482	1.8
121.02982	2.3
123.03723	1.3
123.04546	13.1
132.02167	1.8
133.02979	26.6
134.03690	2.4
135.04546	33.5
136.01666	1.3
137.02454	4.2
139.04005	1.0
145.02950	1.6
149.02448	6.4
150.03258	1.2
151.04031	3.5
151.09352	0.7
160.01704	1.3
161.02466	100.0
162.02882	2.3
163.04012	1.1
164.01141	1.1
165.01988	3.7
173.02431	1.7
174.03285	2.3
175.03970	1.8
178.02657	1.1
179.03522	30.3
180.04202	2.2
197.04578	19.8
197.06375	1.2
201.01952	1.4
205.01501	0.8
211.06117	2.7
219.02946	0.8
229.14470	0.7
253.05057	1.6
265.05069	1.9
266.05939	3.2
281.04544	4.6
282.05386	9.8
297.07724	6.5
298.04831	0.9
298.08249	1.3
311.05725	1.3
313.07288	2.3
326.04358	1.2
341.06671	26.1
342.07040	1.3
359.07748	33.0
360.08087	1.8
399.07208	6.2
503.33636	0.9
513.27808	1.2
521.10864	5.9
539.12030	39.5
540.12531	2.7
548.40808	0.8
592.76355	0.8
701.15125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18634	0.5
56.28790	0.6
72.99316	6.4
108.02207	0.6
109.02984	5.7
121.02972	2.1
123.04534	4.5
132.02161	1.8
133.02966	23.3
134.03697	1.2
135.04544	11.3
136.04871	0.7
137.02458	6.3
138.03241	1.7
145.03008	0.7
146.03693	0.7
149.02477	5.4
150.03236	10.8
151.04050	10.6
161.02464	100.0
162.02795	2.9
165.01952	1.1
173.02524	1.2
174.03195	1.5
179.03516	9.4
181.05051	1.0
195.03000	12.7
195.04668	1.2
197.04572	1.1
201.01884	0.7
203.03490	0.8
209.04436	1.1
212.03334	2.6
224.04649	0.8
227.05568	3.9
237.05675	0.8
249.05573	1.2
254.05745	0.7
255.06564	0.8
266.05624	0.8
267.06665	5.8
283.06177	6.0
311.05670	23.6
312.06284	1.3
313.07227	2.3
341.06717	2.4
343.08105	0.8
359.07748	10.3
360.08240	0.7
387.07605	0.7
389.08817	51.7
390.09082	1.4
400.36356	0.6
473.40137	0.7
501.32358	3.2
502.32571	1.7
503.33371	0.7
521.10724	5.2
539.12012	14.2
540.12311	0.7
546.18970	0.8
551.11823	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	701.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40835	0.1
72.91435	0.1
72.99310	2.1
78.08513	0.1
78.15216	0.1
91.01891	0.2
93.03468	0.3
101.04010	0.1
107.01392	0.2
107.05045	0.2
107.08095	0.1
108.02187	0.6
109.02963	21.6
110.03296	0.4
113.03962	0.6
115.05544	0.4
117.03483	0.1
121.02995	0.4
123.04565	0.9
131.05009	0.1
132.02171	0.1
133.02972	0.5
134.03737	0.6
135.04535	5.5
137.02452	0.5
141.03482	0.3
145.02946	0.9
147.04541	0.9
149.02458	0.9
151.04073	0.3
157.02991	1.1
158.03731	0.4
159.04520	1.3
160.01656	0.4
161.02454	2.1
162.03004	0.1
163.04114	0.2
165.07132	0.2
166.02724	0.3
167.05038	0.2
173.02452	1.5
174.03239	0.4
175.04048	1.2
175.05516	0.2
179.03529	1.3
181.05093	0.4
181.06531	0.1
182.03621	0.1
183.04578	0.1
184.01683	0.4
185.02454	13.9
186.03232	3.5
187.03922	0.3
191.05116	0.1
193.06580	1.8
193.08250	0.2
194.03873	0.1
195.04585	0.5
195.08197	0.2
197.04564	1.9
197.06165	0.3
200.01128	0.3
201.01949	0.7
203.03455	0.2
203.05061	0.2
204.05853	0.5
205.06584	0.5
207.04539	0.5
208.05298	0.2
209.06104	1.5
211.03865	0.2
211.07718	0.3
212.04781	0.2
213.01955	0.4
213.05539	0.2
214.02759	0.2
219.04620	0.8
220.05261	1.2
221.06082	3.9
222.03159	0.2
222.06534	0.2
223.04085	1.2
223.07651	0.4
224.04768	1.0
225.05614	2.2
226.02716	0.1
229.01454	0.8
231.04495	0.4
232.05272	1.0
233.06123	0.5
234.03145	0.1
235.04099	0.5
236.04695	0.7
237.02097	0.2
237.03197	0.2
237.05566	2.1
238.02673	0.2
238.06334	0.2
239.03401	0.2
239.07182	1.3
247.04036	1.7
248.04811	2.9
249.05582	8.2
250.02730	0.4
250.06247	0.8
251.03525	5.8
251.07011	0.4
252.04314	2.2
253.01611	0.3
253.04990	0.8
259.04071	0.2
260.04764	0.5
263.03516	0.6
264.04288	1.2
265.02191	0.2
265.05075	7.2
266.05777	1.0
267.06638	3.1
275.03430	1.3
276.04294	1.6
277.05072	11.1
278.02246	0.7
278.05621	0.9
279.03006	15.3
280.03745	5.1
280.92184	0.1
281.04361	0.4
291.02841	0.2
292.03818	0.8
293.04584	11.1
294.05038	0.8
295.06146	15.8
296.03494	0.1
296.06433	0.8
303.02979	2.2
304.03708	0.4
313.07196	0.4
319.02496	0.4
320.03345	0.3
321.04050	100.0
322.04382	3.5
323.05588	0.2
339.05106	25.8
340.05463	0.9
343.08347	0.4
458.23840	0.1
474.09515	0.2
475.10004	0.6
493.11185	0.3
503.09872	1.0
519.09344	23.6
520.09637	1.1
614.27252	0.1
620.47504	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	701.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	49.9
61.01591	2.0
63.39069	2.8
64.06374	1.9
65.90899	1.9
70.51506	3.7
70.78371	1.9
71.01386	36.9
73.02962	4.8
76.35516	2.0
79.92187	2.2
83.01391	2.6
85.02955	7.7
85.66683	2.1
87.00875	9.9
89.02453	55.4
93.79021	2.0
97.02967	3.4
100.45893	1.9
101.02461	33.3
113.02444	18.6
119.03504	9.7
125.02451	6.3
131.03448	3.0
142.29723	2.3
143.03513	12.5
161.04568	10.0
179.05618	35.0
203.05557	3.1
221.06673	12.2
341.10892	24.4
348.23041	2.5
383.11984	70.6
384.12320	4.6
410.33072	2.2
413.13211	2.7
443.14108	17.9
485.15063	15.5
503.16058	4.0
539.13904	7.7
665.21588	100.0
666.22083	11.9
701.07574	4.0
701.19250	39.1
702.19043	3.5
718.50043	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	701.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	49.4
61.98819	3.6
71.01375	41.1
71.42552	5.4
73.02943	8.4
85.02932	8.0
87.00887	9.8
89.02454	54.2
100.17622	4.5
101.02455	36.4
113.02444	15.8
119.03508	18.2
124.74650	3.7
135.04494	5.0
142.15005	3.5
143.03531	9.6
161.04520	7.3
179.05649	32.7
203.05618	6.2
221.06636	15.8
240.74567	4.7
247.98967	4.2
280.02774	3.8
321.04169	8.5
341.10834	25.2
342.29816	4.7
383.11932	54.3
443.14108	12.5
485.15256	12.4
539.13531	6.8
607.60864	4.6
665.21478	100.0
694.36255	3.8
701.19177	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	53.7
61.98839	21.9
67.05571	11.5
71.01379	33.8
71.41138	12.8
73.57429	11.3
89.02471	52.9
101.02461	41.6
110.72736	12.9
112.26077	13.7
113.02444	20.5
179.05582	20.7
184.06250	11.6
221.06674	21.2
321.03961	18.3
341.10892	33.9
383.11938	57.0
421.49283	12.2
485.15424	17.5
553.94861	15.6
618.49829	14.2
665.21613	100.0
701.19104	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99207	0.6
56.56549	0.6
58.43043	0.6
59.01388	25.2
61.98830	0.7
71.42407	0.7
72.99311	3.9
75.00046	0.5
80.05076	3.0
93.03455	0.8
94.06636	1.0
104.05080	1.0
106.06630	5.7
107.03764	1.8
108.04572	3.0
109.02972	10.9
111.25587	0.8
119.05051	1.2
122.06120	10.3
123.04546	1.5
132.04593	1.5
133.02975	3.1
134.06137	25.5
135.04550	9.0
135.74078	0.5
136.07693	3.8
137.02472	0.9
145.02957	1.1
146.06125	2.7
147.04547	0.8
148.04097	1.3
148.07654	1.3
149.02455	2.6
150.03226	0.9
151.03995	1.0
152.07185	4.3
159.04501	1.3
160.04060	1.9
161.02460	12.6
161.04575	0.8
173.02455	1.2
174.05640	2.0
177.01985	0.9
179.03537	3.7
180.06691	6.6
182.28903	0.6
185.02455	8.9
186.03122	1.9
186.05635	1.0
188.07190	11.8
190.05095	0.8
193.06514	0.8
194.08290	1.4
197.04565	2.8
211.08774	2.9
213.10373	1.3
221.06107	1.7
221.10991	0.8
223.08865	0.9
224.09399	0.8
225.10352	4.3
226.11147	1.3
227.11885	4.2
236.09457	1.1
237.10249	1.6
238.07391	1.0
239.11923	2.0
249.05309	3.3
249.10388	1.9
251.03510	2.1
251.08284	1.5
251.11885	3.1
252.09018	1.7
253.09814	6.4
263.08218	1.4
263.11801	1.0
264.08963	1.6
265.05170	2.8
265.09778	3.1
267.06674	1.9
267.11331	4.0
276.04248	1.1
277.05090	3.1
277.09818	4.7
278.10574	1.0
279.03003	5.1
279.07816	2.4
279.11404	3.4
280.03888	1.5
281.04144	0.8
281.09293	1.2
285.12491	1.4
287.14096	0.7
291.07858	1.4
292.08569	2.1
293.04611	5.2
293.09256	2.8
293.12784	1.1
294.10190	3.5
295.06076	7.4
295.10907	18.9
296.06628	0.8
305.09213	3.6
306.10080	0.9
307.10886	15.6
309.12280	1.4
311.05688	1.1
321.04083	19.0
321.08298	1.0
321.12305	1.1
322.04468	1.8
325.07178	0.8
339.05115	24.3
339.09329	1.2
340.05493	1.8
353.06815	5.5
357.06219	1.9
358.15741	0.9
359.07883	1.0
365.11423	0.9
374.18857	1.6
386.18994	0.8
397.14294	0.8
398.14508	0.9
400.16580	2.1
414.18558	3.8
426.14688	1.0
440.16037	0.8
442.17792	12.4
460.19168	1.6
474.40076	0.9
475.09970	0.9
486.16757	3.7
502.19916	45.1
503.09995	2.9
503.19800	3.3
518.19342	4.9
519.09253	2.6
539.13721	1.3
546.18872	100.0
547.19067	9.1
578.21509	35.2
579.21979	3.0
585.44135	0.7
607.25153	1.0
651.24908	1.1
669.25250	4.6
683.26929	0.9
701.28351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	57.1
66.74812	25.1
69.50642	100.0
79.16271	27.7
81.07432	27.5
94.43960	26.6
95.98936	27.3
102.89504	27.5
107.82507	29.6
130.44229	27.4
135.04526	53.5
161.02364	47.6
161.29344	28.9
222.95183	34.6
223.13431	37.1
233.48183	27.8
257.10791	32.7
288.26474	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	701.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
61.98834	1.1
69.17592	4.1
71.01368	0.7
72.99316	14.5
82.62592	0.6
89.02429	1.1
93.03456	1.0
94.98108	0.8
95.05056	0.8
96.96025	3.2
101.02465	0.9
105.03456	1.3
108.02233	1.0
109.02966	16.4
117.03477	1.3
119.05083	1.6
121.02980	5.2
123.04547	4.9
125.02414	0.7
133.02977	9.0
134.03703	2.5
135.04550	27.3
136.04881	1.1
137.02428	1.6
145.02975	1.8
147.00888	1.1
147.04539	0.9
148.01672	0.9
149.02481	1.8
150.03198	1.0
151.02861	1.2
151.04031	16.7
159.04501	1.8
160.01765	0.9
161.02470	30.1
162.02887	2.3
163.04034	1.9
163.57947	0.7
165.01955	0.8
173.02383	0.7
176.01227	0.9
177.01926	2.5
178.02733	0.7
179.03539	7.7
181.05103	2.7
185.02461	6.1
186.03284	2.2
195.03021	5.4
197.02234	7.7
197.04547	6.8
211.07683	1.1
221.06123	1.2
225.05632	1.0
239.07050	1.5
249.05544	1.6
250.06396	0.8
252.04161	1.0
253.05002	0.9
259.62506	0.7
265.05072	0.9
267.06598	3.7
269.08295	1.1
277.05045	2.4
279.02939	1.9
280.03796	1.7
283.06183	1.5
293.04553	1.5
295.06125	11.4
296.06400	1.3
311.05630	3.7
313.07205	1.2
316.85791	0.8
321.04028	2.8
339.05139	36.1
340.05389	4.5
341.06549	1.6
343.08151	0.8
345.06274	0.9
357.06174	7.9
359.07648	3.8
361.09183	5.8
377.08780	10.4
378.09341	1.0
444.45697	0.8
485.32819	7.9
501.31839	0.7
503.09726	2.4
503.33832	100.0
504.34152	4.6
507.09888	0.9
519.09290	6.1
520.09552	0.9
539.12054	13.6
540.12433	2.1
701.36884	17.9
716.51843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
69.37008	3.0
119.05063	0.8
121.97373	0.6
135.04536	3.0
161.02435	2.4
162.37718	0.6
163.04057	1.0
168.28528	0.6
179.03447	0.8
197.02283	7.1
197.04189	0.9
242.82275	0.7
265.10818	0.8
287.10229	0.9
295.06149	1.1
321.04004	2.6
325.08997	0.8
328.66577	0.6
331.44550	0.6
339.05276	0.7
398.49069	0.7
421.30884	1.0
443.31769	0.9
453.30258	3.2
459.34525	0.8
485.32544	7.4
503.33853	100.0
504.34030	7.0
701.36768	20.9
702.36774	1.9
720.22937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02616	1.0
54.17244	1.0
57.03445	2.9
59.01388	5.1
71.01390	2.2
71.42773	0.9
72.99326	5.7
78.69537	0.9
86.00007	1.1
89.21100	1.1
93.03460	1.2
96.96023	7.8
99.04514	2.1
101.02452	3.0
109.02926	5.8
110.03230	1.2
113.02508	1.0
121.02988	3.9
122.03795	1.5
123.04544	2.7
133.02951	8.6
134.03763	1.5
135.04549	16.2
136.04871	1.6
137.02466	3.1
145.02951	2.4
147.04506	2.4
148.01715	1.2
149.02457	6.2
150.03250	8.1
151.03970	2.4
161.02489	21.3
162.02748	2.4
163.04022	2.2
165.05562	1.9
168.66853	1.2
175.04071	1.5
179.03568	7.6
180.03833	2.5
185.00117	1.0
185.02420	1.4
191.03407	1.2
195.03001	2.1
196.03696	1.4
197.02289	8.1
197.04424	5.1
239.05522	2.5
267.06662	3.0
277.05142	1.5
281.04742	1.2
295.06268	6.9
295.09052	1.2
299.07758	3.1
311.05704	1.6
313.07251	4.9
321.04163	3.0
338.09698	1.3
339.05170	7.7
357.06055	3.6
359.07855	1.4
485.32950	11.6
503.09717	3.3
503.33850	100.0
504.34048	6.3
539.12402	2.0
701.25684	1.9
701.36920	27.8
702.37238	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	703.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32827	1.9
57.03441	2.3
59.01371	3.1
61.98841	4.0
62.35966	2.0
63.34497	1.8
69.37936	10.4
72.42766	2.0
72.99313	43.9
73.74417	2.2
85.03041	1.8
89.19581	1.9
96.96037	9.4
101.63302	1.7
103.68225	2.3
107.18505	2.0
109.02972	3.9
109.65460	2.2
117.03482	4.5
119.05029	3.0
123.04528	15.6
133.02954	10.5
134.03670	2.2
135.04549	62.5
136.04912	2.1
145.02957	16.6
149.06105	2.2
150.03236	2.5
151.04143	2.6
159.04372	2.1
161.02472	37.6
163.03961	4.3
165.05597	2.1
175.03951	3.0
179.03529	44.3
185.02475	7.2
197.04570	70.3
198.04973	3.9
267.06644	6.8
293.04630	4.1
307.08282	2.7
311.05603	8.8
321.04004	3.5
322.04282	2.2
339.05280	4.7
345.23019	2.2
359.10370	29.2
383.07779	6.2
487.12408	3.7
496.25412	2.1
503.33621	3.2
505.13599	100.0
506.13751	5.3
509.10690	2.7
667.17053	7.6
669.85126	2.4
734.96179	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	703.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
60.35690	0.3
60.52013	0.4
69.40298	2.0
72.99317	18.9
95.05038	0.4
96.96021	0.6
98.21917	0.5
102.05842	0.5
107.05005	0.6
108.98955	0.4
109.02950	2.5
111.74805	0.4
123.04546	8.6
124.04869	0.5
132.02206	0.9
133.02972	22.3
134.03346	0.9
135.04547	27.1
136.04866	1.7
137.02486	0.5
147.04494	0.4
151.04088	0.6
161.02464	100.0
162.02789	5.7
163.02957	0.8
169.25278	0.4
175.04054	0.5
177.01985	0.4
179.03517	17.4
180.03772	1.0
197.04568	20.4
198.04919	1.8
221.01248	0.4
223.02496	0.8
239.07149	0.5
249.05470	0.5
254.05853	0.8
255.06500	0.8
265.05121	0.7
267.06668	4.6
285.07684	0.8
293.04611	2.5
293.07849	0.7
311.05673	5.8
312.06268	0.5
323.04871	0.5
357.06268	0.9
358.06458	1.0
359.07755	31.5
360.07922	2.6
361.08463	1.2
403.12054	1.6
429.09641	2.3
447.11066	1.1
457.19955	0.4
491.09848	1.3
541.14758	1.9
574.02252	0.5
703.17828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.5
69.31773	0.8
69.32179	1.2
71.01397	0.4
72.99316	13.0
81.23502	0.3
89.03956	0.4
98.22571	0.5
105.03471	0.4
107.05005	0.5
109.02939	2.2
123.04531	5.7
132.02167	0.9
133.02972	22.6
134.03296	0.7
135.04546	14.6
136.04877	0.7
149.02477	0.4
150.03300	0.4
151.03990	0.7
161.02463	100.0
162.02814	4.5
177.02036	0.4
179.03510	14.1
180.03864	0.8
185.02498	0.6
197.04570	17.6
198.05080	0.5
219.03081	0.5
223.02556	0.5
249.05681	0.4
265.04889	0.5
266.05814	0.4
279.02805	0.7
286.99643	0.4
292.03757	0.3
293.04672	1.5
295.06125	0.8
321.03973	2.6
326.19159	0.4
339.05136	1.2
341.06714	3.4
343.07999	0.4
359.07761	58.7
360.08087	3.1
469.85327	0.4
521.10791	1.9
541.12500	0.5
561.18414	0.4
703.16809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33657	1.2
61.98835	7.2
71.26612	2.0
72.99319	14.1
86.09987	1.2
95.81237	1.2
99.30120	1.2
109.02958	1.9
121.02964	2.1
123.04520	3.2
132.02194	1.3
133.02982	25.6
135.04527	22.3
137.02452	5.8
138.03241	3.9
139.04036	2.2
149.02455	4.5
150.03264	4.8
151.04022	10.0
161.02463	100.0
161.24182	1.3
162.02898	1.4
166.02725	4.6
177.01912	6.8
179.03516	21.8
181.03554	2.3
181.05043	14.6
193.01419	1.3
194.02234	2.1
195.02986	8.6
208.03810	4.1
209.04570	6.8
227.05699	4.5
244.78419	1.4
313.07581	1.3
315.19662	19.2
343.07977	1.6
388.08084	1.5
389.08820	42.3
444.28122	1.5
647.29187	1.3
703.27539	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	703.311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95330	1.9
59.01380	2.4
61.98838	100.0
69.05129	16.0
73.96617	2.2
77.30603	2.2
77.95726	2.1
131.88281	2.3
135.04538	3.9
149.49745	2.5
161.02467	6.2
190.95898	2.6
207.10361	3.2
223.13495	5.3
223.72398	2.3
302.72986	2.2
457.62567	2.3
465.59299	2.8
649.32251	6.8
667.33051	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	703.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57089	60.5
70.91688	100.0
70.92039	95.1
71.77483	73.4
106.66380	69.7
111.74686	68.2
119.72868	72.2
123.61776	71.6
242.32748	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60552	72.0
86.27139	79.4
161.39307	77.0
224.54314	83.2
258.82657	82.6
281.61954	83.1
332.36526	87.4
383.35043	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	704.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47820	2.2
59.01382	9.2
59.57904	2.0
61.98846	14.0
71.43023	2.0
72.99323	2.5
80.05061	4.5
94.06670	2.5
96.95978	2.3
99.77006	2.1
104.05181	2.4
122.06154	32.0
132.04526	2.3
133.02997	7.0
134.06131	9.1
135.04546	9.2
148.04102	2.1
148.50760	2.4
152.07190	37.6
160.06340	4.9
161.02454	24.0
162.02786	6.0
169.37457	2.3
174.05595	4.4
178.40987	2.4
179.03520	5.8
190.05029	3.8
197.04607	2.7
213.10338	25.7
218.94861	2.3
239.11900	15.4
241.13443	13.8
245.12950	6.2
251.11913	3.6
262.96597	2.1
265.09753	2.9
271.77307	2.5
285.12497	47.0
293.12964	7.3
295.10901	7.0
313.12036	2.7
323.10339	8.4
342.12161	3.0
355.13019	3.2
356.17511	2.8
357.14667	3.0
358.15695	18.3
360.08212	3.7
382.12433	2.2
385.14380	2.5
400.16656	14.2
412.16531	3.1
497.26059	2.7
522.45374	2.7
523.23633	7.7
565.24536	63.5
566.24878	5.4
609.13739	5.2
609.23633	100.0
610.23950	7.7
641.26208	48.9
642.26636	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	704.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88277	0.2
58.56232	0.2
58.84346	0.2
59.55530	0.1
61.98835	100.0
68.61220	0.1
76.12453	0.2
89.59949	0.1
95.60872	0.2
96.83508	0.2
112.08525	0.2
132.63063	0.2
135.04532	0.2
155.03148	0.2
161.02496	0.4
216.54407	0.2
228.27075	0.2
476.15524	0.2
553.95758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64588	0.3
61.98835	100.0
69.69242	1.2
73.73615	0.3
92.18272	0.3
97.92779	0.3
125.01511	0.3
126.86977	0.3
135.04594	0.4
161.02455	0.6
179.03491	0.4
190.78302	0.3
421.42810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.15497	3.6
80.50637	0.5
98.21935	1.3
100.90057	0.5
102.15831	0.5
135.04576	0.8
161.02428	0.7
222.64192	0.6
243.79066	0.6
331.04102	0.5
709.16925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	36.1
61.98835	96.0
70.96518	5.8
101.02468	5.5
111.62851	4.6
112.88824	4.5
113.02463	13.6
118.66049	4.6
133.02974	9.9
135.04550	19.5
136.89554	4.9
140.31010	5.1
151.12177	4.8
161.02432	27.9
179.03514	8.2
283.75208	4.9
487.34436	100.0
488.34909	7.0
500.07373	5.4
501.35968	33.0
529.35480	24.3
559.36053	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	705.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15725	1.2
54.60308	1.1
59.64590	1.2
64.08935	1.5
69.31363	1.4
72.99332	6.3
73.92648	1.4
87.73119	1.2
93.03497	1.6
109.02959	36.0
110.03336	1.4
117.17426	1.2
121.02991	1.9
123.04567	3.7
123.25476	1.4
135.04538	9.4
139.65912	1.4
145.02892	2.0
147.04517	2.0
149.02432	5.4
150.03229	2.2
151.04086	1.6
154.01695	1.4
157.02953	3.0
176.56728	1.2
179.03502	6.0
185.02467	22.2
186.03191	7.0
193.06659	1.6
197.04532	6.0
197.06108	1.9
221.06120	1.9
225.05650	3.1
239.06956	1.5
248.04880	2.4
249.05630	6.2
251.03407	3.2
252.04128	1.7
265.04953	3.1
266.05829	1.7
267.06558	3.3
276.04340	1.7
277.05130	11.6
279.03070	13.1
280.03696	6.4
291.06171	1.5
293.04651	9.5
295.06192	23.0
296.06583	2.3
321.00519	2.5
321.04056	29.4
322.04684	3.2
329.06573	1.5
339.05106	100.0
340.05344	7.4
471.07333	4.5
473.08389	3.5
519.09290	2.0
669.12610	4.9
682.46167	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96042	2.6
59.01372	8.0
61.80160	2.7
67.22330	2.6
72.99315	15.6
87.12797	2.4
90.45737	2.3
90.99027	2.6
91.51480	2.4
96.96029	3.7
109.02968	49.2
111.38972	2.7
123.04518	10.1
133.02979	5.6
134.03804	5.4
135.04541	26.5
145.02904	3.5
149.02480	7.4
150.03195	4.3
159.04535	6.2
161.02438	4.3
173.02477	5.7
178.02776	3.4
179.03484	13.8
185.02454	32.1
186.03201	7.5
187.03850	2.7
197.04546	17.6
215.72278	2.9
225.05490	3.2
226.40059	2.7
230.51161	2.8
239.07066	3.0
248.04808	4.1
249.05557	10.6
250.06006	2.8
251.03616	7.0
252.04405	3.4
265.05020	7.4
266.05597	3.2
267.06601	7.8
269.08109	2.7
277.02438	2.6
277.05017	15.1
279.03055	25.0
280.03690	10.9
293.04651	16.7
295.06204	34.5
296.06387	3.3
319.02423	3.6
321.04044	75.7
322.04385	7.0
339.05118	100.0
340.05469	6.3
471.07050	4.4
507.11322	3.5
519.09521	4.3
534.65717	3.0
627.95026	2.9
669.12592	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	705.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72210	12.1
53.99709	10.5
59.01377	39.9
61.98838	100.0
72.99313	27.1
79.95749	9.9
80.96543	58.4
133.02989	40.8
135.04520	52.8
149.02481	14.5
161.02470	88.9
179.03511	38.7
188.92444	15.2
197.04524	14.3
207.10184	20.2
223.17906	10.9
225.00706	18.7
225.11304	28.3
235.54099	10.7
266.71106	13.9
311.05569	14.4
317.70374	12.3
400.74149	12.5
455.94168	11.0
553.26929	13.4
613.88104	15.8
651.29883	17.8
669.31122	12.5
705.31091	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.2
61.98837	100.0
69.81322	5.4
69.81651	3.7
72.20258	2.4
72.99298	2.3
80.96516	3.8
93.07299	2.6
98.03374	2.6
98.22594	3.3
100.57082	2.2
135.04527	4.5
161.02490	6.5
198.72516	2.3
199.40677	2.6
209.11841	13.6
223.13345	18.0
320.18863	2.5
435.65192	2.6
459.22284	6.3
704.30493	2.7
705.31915	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	705.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75447	2.8
53.25054	2.2
56.10802	2.7
59.01390	6.6
60.43935	2.7
61.98833	100.0
69.83212	9.3
79.89503	2.7
80.96530	7.8
82.18826	2.7
98.22026	5.0
99.92646	2.8
133.02995	3.5
135.04546	7.1
147.20015	2.7
161.02449	7.2
179.03474	4.4
204.29294	2.4
205.70737	2.5
209.11847	34.5
209.43401	3.2
219.14581	2.5
223.13379	24.5
225.00896	4.0
227.12947	9.8
309.94385	2.7
440.19455	3.3
445.20819	3.7
459.22137	4.1
632.96466	3.2
651.33850	3.8
705.32422	21.9
705.42902	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	705.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45977	0.4
59.01389	2.6
61.98832	2.8
71.01376	1.2
71.05046	0.8
72.99310	1.4
73.02955	1.6
73.34907	0.4
75.00875	0.5
77.97942	0.3
80.45269	0.3
85.02944	0.5
96.95993	1.0
101.02440	1.1
109.02981	0.7
113.02409	0.6
116.92878	0.5
120.08175	0.6
122.06114	2.3
123.04513	0.6
124.24686	0.3
132.18646	0.5
133.02972	2.9
135.04561	4.6
136.04918	0.5
150.05678	0.5
152.07181	2.4
161.02470	7.7
162.02795	0.9
168.64493	0.4
179.03525	2.0
179.72176	0.3
180.04097	0.4
197.04591	0.8
209.11832	2.7
225.10031	0.4
237.10393	0.6
263.08450	0.5
264.08978	0.6
267.06290	0.5
279.11414	1.3
308.03363	0.9
309.03613	0.6
313.06757	0.4
335.42377	0.4
355.26205	0.4
359.08414	0.4
363.26981	0.5
409.26849	0.5
409.31619	0.6
421.31253	0.8
423.29214	0.7
427.32132	0.6
439.31616	0.5
441.30054	0.9
444.19391	0.7
453.30118	13.0
454.30399	1.2
457.33292	0.8
471.31006	2.7
483.31152	9.3
484.31375	0.8
488.18576	0.8
501.32281	100.0
502.32672	8.1
513.32391	0.7
520.21198	1.4
567.25977	0.9
611.25146	3.6
643.27661	3.0
705.38672	11.8
706.38654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4232
Annotation	Gagunin A
Peak:m/z	Relative Intensity
55.01895	1.0
56.02277	0.9
59.01388	19.7
59.43388	0.7
69.50175	4.1
71.01389	6.9
73.02942	2.7
83.01399	1.2
85.02953	3.2
89.02468	2.1
89.14423	0.9
95.01354	0.8
101.02457	4.5
112.65404	0.9
113.02464	2.7
133.02982	1.0
135.04497	1.7
160.55385	0.9
161.02440	2.5
194.65813	0.8
218.34488	0.9
229.45389	0.9
269.21115	0.9
379.45908	0.8
386.77023	0.8
407.33081	1.7
437.34433	0.9
439.35815	1.8
462.57224	1.0
467.35507	6.4
483.34448	1.2
485.36432	11.7
486.37088	1.5
494.81104	0.9
501.35834	3.1
645.40143	2.6
646.40558	1.0
663.41595	4.8
705.42242	100.0
706.42474	11.6
709.38812	1.0
737.40454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98766	1.6
59.01381	4.4
61.10018	1.7
61.98835	27.6
63.39209	1.8
69.29803	9.4
72.99306	6.4
73.02956	2.3
80.05074	2.3
94.06633	3.9
98.21832	2.5
107.03766	6.6
109.02958	3.8
111.21471	1.9
120.08217	16.2
122.06135	63.6
132.04617	2.5
133.02989	7.0
134.03767	3.8
134.06099	5.1
135.04561	18.2
150.05453	1.9
151.88403	1.6
152.05994	3.5
152.07191	68.2
161.02467	25.0
162.02818	2.9
179.03548	9.9
185.02390	1.9
190.05127	4.2
197.04631	4.6
197.98555	1.6
202.74100	1.7
209.11829	6.0
223.08813	4.7
226.59778	1.7
237.10333	8.2
238.11116	2.9
239.12010	8.0
245.13036	2.4
249.10255	2.2
251.08232	2.8
251.11923	5.2
253.09755	2.5
263.08273	4.4
264.09183	8.9
265.09778	5.6
277.09772	2.5
278.10574	3.0
279.11444	28.3
280.12051	3.7
291.11456	6.7
292.12109	2.0
295.10925	2.0
311.05670	2.9
313.12009	2.2
321.04053	2.8
323.10336	6.3
325.12082	2.3
345.14978	1.8
355.13016	3.1
359.07697	3.6
360.16995	2.4
402.18262	6.5
430.17673	1.7
444.19485	8.3
445.20197	2.0
448.18790	5.2
454.30258	3.1
460.18530	2.1
461.19266	3.9
488.18344	15.8
489.18961	7.3
490.18918	1.9
501.32159	11.7
502.32538	11.1
520.20923	36.0
521.21759	2.7
567.26257	18.0
611.25171	100.0
612.25977	8.7
643.27777	70.7
644.28156	6.9
705.39386	2.6
706.38477	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	706.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10220	1.3
52.26831	1.2
58.73066	1.2
59.01373	3.8
70.08308	2.9
84.00934	1.4
101.02448	1.6
133.02931	1.8
134.60992	1.2
135.04515	2.5
161.02483	6.6
182.61011	1.4
261.82199	1.3
407.29471	1.3
415.67737	1.3
431.51288	1.3
439.32410	2.6
441.30502	1.7
453.30020	5.8
476.33850	1.5
483.31259	7.2
484.31451	1.4
501.32297	100.0
502.32593	9.7
503.33807	40.6
540.57343	1.4
663.37012	2.0
706.03168	1.6
706.38055	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	706.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35274	0.5
52.07491	0.6
59.01379	2.1
59.49596	0.5
69.48429	0.5
71.01389	1.0
72.99328	1.8
79.95697	0.5
84.00914	1.3
89.02474	0.7
96.96014	2.5
101.02457	1.1
109.02940	0.6
113.02457	0.9
116.92877	1.5
119.03457	0.7
133.02974	1.8
135.04539	2.9
139.03906	0.5
151.04080	0.7
161.02481	4.3
169.64064	0.5
179.03531	2.5
197.04515	0.7
204.05156	0.7
244.78639	0.6
423.29160	0.8
453.30087	4.6
483.31332	5.5
501.32294	100.0
502.32605	9.2
503.33835	0.8
663.37231	1.7
706.38416	3.7
707.39252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35274	0.5
52.07491	0.6
59.01379	2.1
59.49596	0.5
69.48429	0.5
71.01389	1.0
72.99328	1.8
79.95697	0.5
84.00914	1.3
89.02474	0.7
96.96014	2.5
101.02457	1.1
109.02940	0.6
113.02457	0.9
116.92877	1.5
119.03457	0.7
133.02974	1.8
135.04539	2.9
139.03906	0.5
151.04080	0.7
161.02481	4.3
169.64064	0.5
179.03531	2.5
197.04515	0.7
204.05156	0.7
244.78639	0.6
423.29160	0.8
453.30087	4.6
483.31332	5.5
501.32294	100.0
502.32605	9.2
503.33835	0.8
663.37231	1.7
706.38416	3.7
707.39252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98752	0.1
69.33147	0.4
69.33536	0.3
72.59109	0.2
72.99315	0.8
79.95750	3.4
88.78305	0.1
96.96021	100.0
97.95946	0.2
102.57915	0.1
109.02933	0.8
123.04523	0.4
127.30002	0.1
131.21509	0.2
135.04547	2.2
149.67488	0.1
151.00345	0.2
161.02444	0.3
175.04144	0.2
179.03542	0.6
197.04578	1.5
223.07523	0.2
239.07137	0.5
241.08755	0.4
255.03015	0.2
260.97943	0.1
266.46503	0.1
267.06558	0.7
271.02399	0.3
281.94800	0.2
285.07773	0.5
300.02744	0.7
301.03491	0.4
311.05612	1.0
329.06784	0.3
356.99326	0.3
396.55435	0.2
411.00278	0.4
491.10098	0.3
500.05499	0.2
503.62717	0.2
504.63098	0.1
509.10834	1.3
572.26385	0.2
609.14587	1.1
610.15198	0.2
642.55444	0.2
712.83228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94387	2.4
59.01377	6.5
60.80092	2.6
61.98829	2.7
69.21706	2.3
71.01395	2.8
71.51370	2.3
72.99313	19.9
93.01913	2.9
98.21870	11.1
109.02980	7.1
116.92873	2.7
123.04571	7.6
130.18277	2.4
133.02989	22.8
135.04559	27.6
147.86702	2.6
149.02463	7.8
150.03241	4.2
151.04022	2.6
161.01118	5.3
161.02470	100.0
162.02730	3.1
168.02696	2.7
179.03511	24.8
197.04565	27.4
267.06628	6.3
283.06079	6.1
311.05664	19.6
321.04037	4.7
329.06592	10.3
359.07788	54.4
360.07959	3.6
509.11127	29.2
521.11127	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	707.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
69.24583	4.8
72.99314	13.3
78.07674	0.8
78.91894	9.3
98.58850	0.9
107.39326	0.9
109.02958	6.0
109.80387	0.8
118.78432	0.8
121.02932	1.3
123.04489	5.1
129.86197	0.9
131.51062	0.9
133.02957	15.1
134.03749	1.0
135.04539	19.9
149.02455	7.5
150.03256	6.8
151.03979	1.2
161.02461	100.0
162.02818	2.9
173.02443	1.0
179.03516	15.2
185.02443	2.1
197.04578	18.7
249.05392	1.6
251.07213	0.9
266.05835	0.9
267.06625	8.2
279.02924	0.9
283.06082	2.0
293.04593	1.6
294.05118	1.0
295.05984	1.8
296.06360	1.0
311.05615	16.9
312.06296	2.0
313.07254	6.2
321.04166	7.1
322.04114	1.5
339.05112	3.8
359.07785	41.1
360.08240	2.2
439.36523	0.9
491.09933	2.0
503.33661	1.6
521.10938	3.3
671.14142	2.6
707.86279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60268	0.4
56.02384	0.6
57.70577	0.4
59.01387	9.1
60.79770	0.4
69.62437	1.8
71.01381	0.7
72.99314	15.8
89.02458	0.7
98.21878	0.5
104.77139	0.5
109.02975	1.1
113.02479	0.5
120.06153	0.4
123.04541	6.7
132.02144	0.9
133.02972	19.7
134.03738	0.9
135.04544	18.1
161.02460	100.0
162.02788	3.4
179.03513	13.8
180.03871	0.8
197.04567	24.5
198.04945	0.8
267.06653	0.8
311.05551	1.5
334.05438	0.5
359.07745	37.7
360.08060	2.4
509.10986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
62.74009	0.3
67.87093	0.4
72.99318	18.0
75.12125	0.4
92.32948	0.3
95.05012	0.4
101.72253	0.3
107.05027	0.6
109.02979	0.8
116.42309	0.4
123.04539	7.3
132.02193	1.2
133.02972	20.3
134.03749	1.0
135.04544	19.3
136.04857	0.6
151.03993	0.6
161.02461	100.0
162.02795	1.8
179.03520	16.0
180.38863	0.3
190.75972	0.4
192.54239	0.3
197.04579	24.0
198.04865	0.5
223.02554	0.6
233.51154	0.3
239.07150	0.5
267.06512	0.4
311.05695	0.7
358.26123	0.4
359.07761	33.7
360.08038	2.0
389.07767	0.5
509.10928	0.7
575.82288	0.4
592.55743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
62.74009	0.3
67.87093	0.4
72.99318	18.0
75.12125	0.4
92.32948	0.3
95.05012	0.4
101.72253	0.3
107.05027	0.6
109.02979	0.8
116.42309	0.4
123.04539	7.3
132.02193	1.2
133.02972	20.3
134.03749	1.0
135.04544	19.3
136.04857	0.6
151.03993	0.6
161.02461	100.0
162.02795	1.8
179.03520	16.0
180.38863	0.3
190.75972	0.4
192.54239	0.3
197.04579	24.0
198.04865	0.5
223.02554	0.6
233.51154	0.3
239.07150	0.5
267.06512	0.4
311.05695	0.7
358.26123	0.4
359.07761	33.7
360.08038	2.0
389.07767	0.5
509.10928	0.7
575.82288	0.4
592.55743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13532	2.9
59.01367	8.6
71.01382	5.6
72.99314	6.7
75.80711	2.9
83.72795	2.8
96.96008	3.9
101.02391	3.1
108.43069	2.8
109.02981	3.4
109.06593	11.7
123.04546	3.5
133.02948	8.5
135.04535	18.5
143.41888	2.9
149.02411	3.1
161.02446	31.7
163.11278	8.9
179.03484	11.1
180.07191	3.1
181.03149	3.3
197.04588	8.3
207.10295	42.8
209.11845	100.0
210.12158	3.9
225.11346	24.0
227.12929	22.6
235.08217	7.7
253.09262	17.0
321.04132	3.9
334.71356	3.7
359.07736	8.2
399.21680	6.5
417.22821	6.9
443.19189	7.7
445.20599	5.2
455.10272	3.4
461.20313	11.2
473.09445	3.8
562.90479	3.4
635.30951	25.2
653.31628	25.2
671.32959	39.4
672.33893	4.2
707.30426	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01377	1.6
69.16713	2.3
71.05016	1.0
72.99309	0.7
73.02916	0.5
80.88843	0.4
96.96017	2.6
101.02473	0.4
133.02980	0.7
135.04561	2.0
157.81868	0.4
161.02472	2.3
179.03516	0.7
197.04582	0.8
221.46474	0.4
320.12878	0.4
341.65372	0.4
359.08023	0.6
387.29108	0.3
421.31009	1.0
439.32162	0.5
443.31711	1.0
453.30112	3.6
454.30762	0.6
459.34677	0.7
485.32803	10.3
486.32913	1.1
501.32208	0.5
502.32718	0.6
503.33844	100.0
504.34189	11.8
694.76166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.4
61.98838	6.1
71.01382	0.8
71.05017	1.0
72.99293	1.2
73.02953	0.6
88.98820	1.0
92.73230	0.6
96.96043	1.2
101.02475	1.6
109.18563	0.6
121.70464	0.7
133.02989	3.3
135.04555	3.6
161.02469	8.0
162.02788	0.9
179.03508	2.2
197.04590	0.9
359.07462	1.1
369.27814	0.8
425.30444	1.7
467.31784	9.2
468.32196	1.3
485.32782	100.0
486.33090	11.2
675.34741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48855	0.2
54.17974	0.2
59.01387	2.4
68.99833	0.2
70.79540	0.2
71.01385	1.2
72.99305	0.3
73.02956	0.4
75.43917	0.2
83.01387	0.2
93.00910	0.2
97.02983	0.2
100.32705	0.2
101.02460	0.7
113.02473	0.5
124.11947	0.2
127.63772	0.2
133.02943	0.3
133.65817	0.2
135.04489	0.2
143.03590	0.3
161.02426	1.0
179.03490	0.5
203.05609	0.5
377.28540	0.7
379.30405	0.2
407.29630	1.1
407.34137	0.2
418.66925	0.2
437.30591	0.2
440.32516	0.6
455.31766	0.3
467.31717	0.4
484.31329	0.2
493.67932	0.2
501.31970	0.7
502.32672	4.3
502.40030	0.3
503.33841	100.0
504.34219	12.1
504.40189	0.2
517.35394	0.5
540.49432	0.2
545.34778	2.7
546.35059	0.4
575.36169	0.3
621.90942	0.2
664.38025	0.3
707.37714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27434	0.7
56.74481	0.7
59.01387	1.5
70.24801	0.7
79.77650	0.8
81.10387	0.7
84.00909	2.7
87.94250	0.7
94.61514	0.7
101.02440	0.9
126.02010	0.9
129.98424	0.8
142.54807	0.8
204.05179	1.9
382.25293	0.9
453.30090	1.1
461.96030	0.9
485.32623	5.7
503.33859	100.0
504.34122	10.4
665.39136	3.1
708.39648	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	708.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.1
66.35059	1.3
66.97755	1.6
71.01418	1.8
71.33437	1.7
72.99323	4.7
79.95742	2.9
80.80180	1.6
84.00923	2.4
90.92902	1.4
95.70612	1.6
96.96022	46.9
98.95602	2.9
109.02962	4.3
116.72479	1.6
122.06055	1.7
123.04562	1.8
133.02980	4.8
134.03717	1.8
135.04556	13.3
161.02502	7.9
175.03955	2.1
179.03493	4.1
185.02550	2.0
193.05096	2.5
197.04552	4.6
204.05179	3.3
225.26723	1.4
321.04080	4.7
336.10635	1.6
339.04984	1.7
392.88678	1.6
485.32855	8.5
486.33197	1.8
503.33835	100.0
504.34521	12.8
531.14545	2.2
545.35400	1.7
546.35217	3.0
578.15442	1.8
588.47552	1.6
608.19196	1.6
610.17444	5.8
665.39282	3.1
708.39551	8.5
734.98376	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	708.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36747	1.0
59.01370	3.4
61.98826	3.6
69.31585	1.7
69.31978	3.3
71.01369	1.8
72.99328	7.0
84.00901	1.3
96.96013	6.4
98.21951	1.7
99.92583	1.6
101.02409	2.0
109.02946	5.1
115.92104	1.5
116.92876	5.6
117.92869	1.5
117.97556	1.0
123.04534	2.3
133.02960	4.9
134.03693	1.5
135.04535	11.5
142.71823	1.1
151.03978	1.3
159.04463	1.1
161.02434	15.1
162.02789	1.3
179.03458	4.6
185.02486	2.6
197.04579	5.4
202.71603	1.1
204.05127	1.6
212.35295	1.1
243.97049	1.1
258.40390	1.2
265.05017	1.4
267.06616	2.0
279.02975	3.2
293.04626	4.5
295.06302	2.7
321.04083	6.1
339.05057	6.4
340.05362	1.6
359.07626	2.1
403.82126	1.3
485.32968	8.5
487.34213	4.5
503.33856	100.0
504.34113	12.5
547.16565	1.1
665.38751	2.2
708.39288	8.3
709.39630	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	709.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.2
72.99344	7.2
75.93898	3.7
80.05044	5.4
83.06939	3.1
101.02417	4.2
107.03755	3.5
109.02980	9.5
118.98097	10.0
122.06123	32.0
123.04540	5.8
133.02983	5.4
134.06119	11.3
135.04549	18.3
151.20314	4.4
152.07198	41.0
152.37489	3.3
161.02473	19.9
179.03522	9.2
185.02499	5.3
188.07193	4.1
197.04588	10.4
202.44713	3.7
213.10448	8.9
225.10274	4.7
239.11880	7.1
240.79311	3.9
241.13463	6.5
245.12978	7.1
251.11884	4.0
253.09697	6.8
265.09885	6.5
266.10715	3.8
278.07199	3.5
278.10498	4.7
279.07852	6.8
285.12534	18.4
293.09390	12.4
293.12943	6.0
295.06128	5.9
295.10883	12.5
321.04068	10.6
323.10471	6.5
337.08353	8.5
339.05035	6.4
358.15598	5.3
359.08020	4.9
400.16522	8.2
431.28857	4.3
459.18066	5.6
460.18585	5.8
474.20609	3.8
487.34274	39.7
503.17108	4.7
504.17676	14.8
518.19592	8.7
529.35577	7.7
550.21790	19.1
565.24438	31.7
597.27032	6.8
609.23676	20.7
641.26294	100.0
642.26245	14.8
673.28772	43.9
674.28638	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	709.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	44.5
62.97745	1.6
66.70896	1.9
70.64063	2.7
71.01398	15.3
72.99318	8.6
73.02955	48.5
83.01366	10.1
85.02969	4.3
89.02444	2.3
101.02454	28.8
109.02946	9.2
113.02463	2.6
123.04578	5.1
131.03545	2.1
133.02980	2.7
135.04524	12.3
137.02448	2.3
161.02527	2.7
161.04555	5.0
179.03535	7.5
185.02457	6.8
186.03093	2.4
190.99921	2.3
197.04568	10.7
212.12030	1.9
214.32037	2.0
225.16501	2.9
240.11617	12.3
241.16051	3.8
249.05823	2.6
249.62053	2.5
253.12305	3.3
254.13046	2.3
267.13889	2.5
267.16895	1.8
268.14731	4.6
269.15500	42.0
270.15744	3.4
271.09625	2.1
277.04980	2.2
279.03000	5.2
280.14755	5.1
281.15472	21.9
282.15646	2.2
283.13351	2.6
293.04620	3.2
295.06085	7.6
297.15106	3.1
298.15775	45.2
299.16534	78.4
300.16769	10.5
310.49207	1.9
321.03949	13.2
322.04395	4.5
339.05142	11.0
487.34512	4.6
562.91553	2.1
665.28217	100.0
666.28870	11.6
709.30109	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	709.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50602	0.7
52.11798	0.9
61.98829	0.9
63.67603	0.7
72.99310	11.0
81.03501	1.1
93.03475	1.3
95.05019	1.0
98.22699	1.4
105.03477	1.8
107.05031	0.9
108.02179	0.8
109.02969	1.0
121.02972	2.5
122.03732	0.9
123.04543	10.5
131.47023	0.9
132.02165	2.5
133.02972	37.0
134.03462	1.0
135.04570	5.8
151.04021	28.1
161.02464	100.0
162.02777	2.1
177.01805	1.8
178.02798	1.0
179.03522	5.4
187.64185	0.7
195.03105	1.4
211.68701	0.8
305.71951	0.8
313.07214	2.1
356.94281	0.8
420.89194	0.8
471.35959	0.8
547.29028	11.5
709.32532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	12.7
59.38691	5.7
69.26080	19.2
69.26476	8.9
80.10449	7.6
80.10915	5.6
85.35572	5.2
96.44524	5.0
101.02400	6.6
102.55865	5.8
115.57876	5.7
133.03020	8.3
135.04558	8.1
153.20448	4.9
161.02475	7.9
183.13895	10.9
193.12627	5.7
199.09789	22.2
207.10301	8.9
209.11734	6.4
211.13405	100.0
225.11325	9.5
253.09235	9.1
447.22427	9.3
709.35828	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	709.418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65489	0.2
59.01385	33.4
60.91105	0.2
70.64542	0.2
71.01386	1.0
72.99327	0.5
78.13116	0.2
83.07156	0.1
85.02955	0.4
85.19865	0.1
85.93188	0.1
89.02442	0.8
93.79037	0.1
95.01416	0.2
96.96011	0.2
97.54395	0.2
98.22609	0.4
101.01906	0.2
101.02452	1.1
109.02937	0.3
113.02469	0.6
118.98080	0.3
119.03528	0.5
120.84885	0.2
123.04558	0.2
125.89536	0.2
133.02989	0.6
135.04559	0.7
143.03557	0.3
161.02475	1.7
161.04561	0.4
162.02800	0.2
162.46562	0.2
179.03545	0.5
197.04601	0.5
221.06715	0.2
226.29677	0.1
267.06705	0.2
311.05637	0.3
359.07727	0.7
379.29858	0.3
409.31195	0.6
427.32190	0.2
467.31284	0.2
469.33374	1.2
487.34344	100.0
488.34665	9.2
497.32468	0.2
501.35611	0.3
509.11050	0.5
529.35394	0.8
649.39435	1.1
709.41937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.3
59.01389	37.1
61.98829	1.2
66.10240	0.4
69.09352	2.5
71.01387	1.6
71.05038	0.6
72.99319	3.2
73.02939	0.6
80.14986	0.3
85.02958	0.7
89.02466	1.1
96.96046	0.6
98.13881	0.3
98.22713	0.8
101.02449	1.8
109.02992	4.0
110.03316	0.6
113.02440	1.0
118.98067	0.4
119.03497	0.9
123.04516	1.8
133.02971	1.4
134.03729	0.6
135.04550	7.2
136.04852	0.8
137.02454	0.5
145.02977	0.5
149.02393	0.6
159.04472	0.3
161.02472	2.8
161.04611	0.7
162.02808	0.4
173.02419	0.5
179.03522	3.1
180.03806	0.4
185.02473	2.7
186.02956	0.5
197.04593	4.6
198.04918	0.9
249.05644	0.5
251.03316	0.4
265.05008	0.4
267.06778	0.5
276.50888	0.4
277.05078	0.9
278.05618	0.5
279.03030	1.4
280.03491	0.5
293.04544	1.2
295.06204	1.9
296.06418	1.0
321.04056	4.5
322.04480	1.3
339.05136	4.9
340.05484	2.4
341.06067	0.6
359.07758	1.0
386.41788	0.4
407.33405	0.4
418.83081	0.4
423.32672	1.0
425.34378	1.4
427.31897	0.6
439.32379	0.5
443.35803	0.6
469.33282	7.2
470.33694	0.6
483.07205	0.6
487.34363	100.0
488.34714	8.4
501.08295	0.7
502.09171	0.5
519.09393	0.9
605.35510	1.2
623.36841	0.9
649.38989	1.2
667.39227	0.5
709.42236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01126	0.5
59.01390	7.5
60.01780	0.3
60.99314	0.6
61.98836	1.1
69.06646	2.6
71.01385	0.8
72.99316	0.8
73.82500	0.4
75.62504	0.3
76.92702	0.3
88.98859	0.4
89.02454	1.0
90.70925	0.4
101.02470	0.6
103.64048	0.4
109.02969	0.5
113.02402	0.4
119.03543	0.6
119.04987	0.4
126.22189	0.4
133.02992	1.1
135.04550	2.2
161.02437	3.0
163.04050	0.4
179.03471	1.1
197.04506	0.7
209.11838	0.7
224.07230	0.4
321.04120	0.8
359.07715	0.6
369.27844	0.8
377.28351	0.6
393.31693	1.1
423.32739	1.6
441.33640	0.4
451.71423	0.4
469.33298	1.5
487.34357	100.0
488.34766	10.9
502.95831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07660	0.2
59.01380	0.5
61.98835	100.0
71.05964	0.3
72.99329	0.5
73.99110	0.2
99.58781	0.2
107.96556	0.2
109.02995	0.2
133.03017	0.7
135.04549	0.7
161.02483	1.3
162.02797	0.3
170.64723	0.3
179.03587	0.6
190.05905	0.2
195.99113	0.2
236.03644	0.2
329.29330	0.2
444.82822	0.2
487.33209	0.5
488.33911	0.5
729.52740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.6
70.54529	2.2
98.22647	5.0
112.27010	2.3
127.23666	2.3
146.61783	2.2
167.17012	2.3
171.10278	100.0
172.10663	5.2
177.45436	2.4
234.66257	2.1
246.90215	2.3
253.09325	3.5
277.21759	48.6
278.22089	2.7
391.45844	2.4
407.19397	3.4
479.91727	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	710.413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93099	3.2
59.01392	4.5
68.30154	3.2
69.57884	3.2
74.64748	3.1
75.33033	3.1
98.21909	10.2
101.02483	4.1
171.08798	5.9
171.10281	95.7
172.10686	5.1
221.42015	3.5
235.08334	4.3
253.09355	6.1
277.21756	100.0
278.22070	7.7
329.31012	3.1
408.68768	4.0
586.45050	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	711.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40457	1.4
62.81081	1.1
66.25685	1.4
67.14473	1.4
69.64113	3.7
72.99314	5.0
81.03468	1.7
90.16821	1.3
93.03447	1.8
95.05025	3.6
99.92596	1.6
105.03467	7.5
108.02147	1.6
109.02968	64.4
112.49816	1.3
114.94943	1.7
115.05578	1.5
116.92856	3.7
121.02994	7.6
122.03743	1.6
123.04538	11.6
133.02974	20.9
135.04483	7.9
137.02466	2.7
145.02951	3.4
147.04498	1.8
149.02458	20.1
150.03204	5.2
151.04018	15.3
157.02922	1.3
158.03735	2.7
158.93921	3.7
159.04543	5.3
161.02448	4.2
169.06619	2.4
173.02419	2.7
177.01965	12.7
177.62010	1.6
179.03522	2.7
180.85172	1.6
185.02451	28.7
186.03120	3.4
191.05009	4.3
193.06601	7.2
195.04596	2.1
196.05338	1.3
196.46504	1.3
197.04521	2.1
197.06116	2.4
201.89986	1.3
205.06570	1.8
207.04518	10.0
209.06133	6.8
211.07610	3.3
219.02684	1.6
219.04527	9.1
220.05310	3.2
221.06122	11.2
223.03981	1.8
224.04874	2.1
225.05643	2.3
235.03989	17.7
236.04651	4.2
237.05617	17.5
239.07118	5.6
241.05145	2.1
245.49294	1.6
247.04027	13.5
248.04700	5.2
249.05545	14.0
250.02682	2.0
250.06337	6.2
251.03529	5.0
252.04500	2.0
259.69339	1.4
262.02774	1.9
263.03506	32.3
264.04172	4.1
265.05112	24.2
266.05884	8.2
267.06644	29.5
269.04852	1.8
269.07944	1.5
275.03519	8.0
276.04251	5.6
277.05182	9.1
279.03046	8.0
279.05969	1.7
280.03876	2.4
280.33963	1.5
281.04144	1.6
291.03070	29.9
291.06454	4.0
292.03683	5.6
293.04593	100.0
294.05106	5.1
295.06143	19.6
303.03049	1.7
309.04169	1.7
311.05634	38.3
319.02499	84.0
320.02863	3.4
321.04062	44.4
322.04614	3.1
337.03525	10.4
339.05121	19.1
348.94553	1.4
395.48019	2.1
427.08252	2.3
445.09280	3.7
466.53683	1.5
471.06586	1.8
482.42831	1.8
489.08502	7.2
542.58209	1.4
619.94080	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	711.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25560	0.4
71.01386	1.0
72.99316	2.4
85.02955	0.6
89.03965	0.8
93.03461	1.3
95.05013	0.4
96.70236	0.4
105.03478	0.6
107.05032	2.0
108.02191	1.0
109.02977	4.0
113.46344	0.4
117.03490	1.4
119.05048	0.4
121.02970	1.0
123.04523	2.0
132.02213	2.8
133.02971	3.8
134.02713	0.9
134.03758	21.0
135.04543	100.0
136.04878	2.4
137.02463	2.6
139.04016	0.7
145.02977	1.3
149.02438	1.1
149.06091	3.9
151.04028	1.3
153.20815	0.4
159.04533	0.8
160.01669	11.1
160.05286	0.8
161.02457	5.5
162.02737	0.4
172.05316	0.8
173.06084	1.5
175.02496	0.8
175.04022	16.9
176.04478	0.7
177.01936	1.9
178.02739	7.2
179.03514	12.3
185.02432	1.1
188.78079	0.3
190.02821	0.4
191.03439	0.4
191.05124	0.5
193.05074	23.7
194.05415	1.0
197.04579	3.4
204.04257	0.6
207.04694	0.5
207.06625	0.4
217.05077	1.2
219.04584	0.6
219.06702	0.8
221.04359	0.5
227.81532	0.4
231.06618	0.7
235.04001	0.8
237.05450	0.8
247.04005	0.7
249.05600	0.7
251.03453	0.4
263.03491	2.9
264.04001	0.5
265.04999	1.0
267.06616	1.4
276.04370	0.3
279.03177	0.4
291.03018	1.6
293.04535	3.4
294.05182	0.4
295.06268	1.0
301.20209	0.4
307.08344	0.4
311.05713	1.8
311.13049	0.4
319.02457	3.7
321.04019	1.5
323.07828	2.3
335.01907	4.5
337.09341	14.1
338.09720	1.0
339.05176	1.3
355.11816	2.1
359.07651	0.5
373.09286	3.5
373.13071	1.0
374.09183	0.4
403.14154	0.6
471.07300	0.9
473.36426	0.4
503.33890	5.9
505.34573	0.8
517.14001	0.7
525.33978	0.4
526.29675	0.4
531.15149	19.1
532.15216	1.9
543.18829	0.5
549.16187	0.5
555.04327	0.4
631.47430	0.4
693.21429	0.4
711.19385	4.8
712.20306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12946	1.3
59.01375	6.9
71.01382	6.0
72.99294	2.8
75.00910	1.6
89.87827	1.3
93.03455	2.2
97.07511	1.6
101.02467	1.5
108.02174	2.7
109.02960	8.7
111.00913	2.2
113.02499	1.7
117.03482	24.3
119.05045	17.3
121.02916	3.2
121.63435	1.9
123.00887	2.0
123.04543	2.5
124.01652	1.8
126.19625	1.4
132.02190	3.8
133.02975	43.7
134.03793	7.0
135.04544	49.1
136.01686	10.0
137.02486	12.7
138.03044	1.5
139.03984	6.9
145.02975	88.9
146.03369	2.2
147.04515	4.4
149.02420	2.0
149.06087	3.1
150.03238	2.9
151.00360	4.3
151.04022	9.0
153.05487	2.0
159.04517	4.6
160.01733	8.5
161.02467	100.0
161.06088	2.9
162.02924	2.9
163.00406	4.5
163.04019	14.7
165.01981	1.8
166.02740	9.2
174.03232	1.7
175.04041	11.0
177.01936	3.3
177.05563	5.2
177.12918	1.5
178.02692	10.6
179.02069	1.8
179.03539	32.1
181.01392	3.6
181.05121	9.7
183.06577	1.9
185.02382	1.9
188.04735	3.3
189.05583	2.6
193.01434	9.5
193.05057	11.5
195.06544	1.5
196.03812	9.6
197.04575	2.7
208.03825	16.1
209.04517	4.7
211.06128	22.8
221.04564	4.3
223.06148	42.1
239.05595	4.2
241.07187	19.3
263.03513	3.0
293.04449	4.2
298.08374	3.1
299.09238	2.9
307.08279	48.9
311.05545	2.3
313.10855	16.1
319.02441	2.4
321.04013	2.6
323.07718	36.5
325.10513	2.0
335.02090	4.3
337.09219	13.9
343.11768	5.0
357.09775	1.9
358.10474	2.0
359.11172	3.7
373.12985	41.6
374.13364	1.5
389.12238	3.0
403.13879	2.0
479.73511	1.9
489.13837	3.3
519.15051	1.9
531.15155	4.7
548.14819	2.4
549.16425	2.2
626.99902	1.5
711.22980	67.9
712.23358	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	711.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
69.13704	4.2
71.01402	2.4
72.99306	1.5
73.02956	1.3
80.21764	1.0
85.02963	1.7
85.23676	0.8
89.03986	1.0
98.22694	1.7
101.02446	2.1
105.03464	1.9
105.69716	1.0
108.02213	3.1
109.02963	10.2
113.02483	2.2
114.39783	0.8
116.92893	5.7
120.02196	2.0
121.02964	3.0
123.04522	5.0
132.02197	16.7
133.02971	8.9
134.03763	28.6
135.04568	9.4
136.01669	12.3
137.02472	1.4
139.04047	0.9
145.02985	1.7
146.03799	1.2
147.04564	2.1
148.01682	15.4
149.02452	5.6
149.06102	7.2
150.03249	4.2
151.04034	13.2
153.05592	18.3
160.01682	76.3
161.02454	8.6
162.03244	2.2
163.04028	33.1
164.04736	2.8
165.05655	1.0
166.02748	10.9
171.76764	0.9
175.04021	84.5
176.04488	2.5
177.01953	5.8
177.05623	1.7
178.02733	36.1
178.08980	0.8
179.03485	5.0
181.05081	41.0
181.78795	1.1
182.05345	1.2
182.39214	0.8
185.02498	2.3
191.05186	1.2
191.07074	1.0
193.05081	100.0
194.05415	2.6
196.03677	1.0
197.04501	1.5
207.06433	1.2
209.04572	3.8
211.06137	75.4
212.06506	2.5
217.05080	2.0
219.04494	1.1
221.06163	1.9
235.04105	1.2
235.06244	1.1
253.05194	1.3
254.05843	6.3
255.06557	1.3
263.03519	2.6
265.04993	2.3
267.06586	2.7
268.07419	1.0
269.08194	7.5
270.08859	2.5
277.30396	0.9
283.09464	1.1
284.10693	1.3
285.11343	2.0
291.03040	1.8
293.04623	7.2
295.08667	1.3
298.08340	0.9
311.05597	3.0
313.10910	3.1
319.02399	4.2
321.04089	3.1
322.07043	1.0
323.07809	1.6
328.09381	1.0
337.09323	86.5
338.09656	3.8
343.11902	8.7
373.12933	3.6
489.14056	6.7
489.32504	1.2
519.15161	5.5
531.15247	13.2
532.15405	1.0
548.15314	3.0
549.16290	22.3
550.16730	1.7
711.22858	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	711.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06379	0.5
57.03440	0.7
59.01126	0.5
59.01382	2.3
66.91328	0.5
71.01391	2.5
72.99317	2.1
73.02979	0.8
79.87686	0.5
85.02969	2.0
89.03996	0.7
93.03473	1.3
96.96048	1.0
101.02483	1.5
105.03485	1.0
107.05045	1.8
108.02209	1.6
109.02959	23.5
110.77658	0.5
111.00847	0.6
113.02472	1.6
117.03463	1.7
119.05041	0.9
120.02151	0.8
121.02963	1.5
122.03783	0.9
123.04559	3.3
132.02193	22.0
133.02991	8.9
134.03760	39.4
135.04543	62.4
136.01678	12.4
136.04880	1.1
137.02426	2.2
139.04051	1.5
145.02974	1.7
146.03737	2.6
147.04530	2.2
148.01717	2.8
148.05315	0.9
149.02464	5.1
149.06097	10.0
150.03246	2.6
151.04019	11.6
153.05609	2.1
153.45244	0.5
160.01680	93.8
161.02466	11.3
161.04575	0.5
161.06053	0.9
162.03201	1.4
163.04045	5.9
164.01147	1.6
164.04773	2.4
165.01994	1.0
165.05643	1.2
166.01311	0.8
166.02734	16.3
167.03467	1.0
173.02466	0.6
174.03238	0.8
175.04025	98.7
176.04436	2.6
177.01961	2.8
177.05582	1.4
178.02730	8.9
179.03513	13.7
179.07109	3.6
181.05096	30.2
187.03903	0.5
189.05592	1.0
191.07283	0.8
192.04298	1.7
193.05084	30.3
197.04567	3.7
202.02701	0.9
207.06673	1.5
211.06097	4.1
217.05067	2.2
235.04018	1.1
235.06137	1.1
237.04121	0.9
254.05893	1.7
255.06612	1.4
263.03528	1.5
265.05142	0.7
266.05856	0.6
267.06656	1.5
269.08237	3.9
270.09006	2.0
277.07300	0.6
283.05756	0.6
284.10449	1.3
293.04779	2.5
295.06293	0.8
298.08475	1.0
311.05609	1.1
313.10846	1.7
319.02399	2.2
321.04123	0.9
322.06808	0.7
323.07831	2.5
325.11014	0.8
328.09567	1.0
329.10413	3.6
335.02127	1.4
337.09314	100.0
338.09677	3.7
343.11902	5.0
345.29868	0.6
345.82520	0.5
359.11343	5.3
373.08914	3.6
373.13092	2.2
465.83701	0.6
531.15100	9.9
532.15308	1.0
535.14673	0.9
625.68774	0.6
651.40015	0.8
711.22961	39.6
712.23462	3.8
732.13727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35117	0.9
53.61565	1.0
57.03454	46.1
57.50335	0.9
59.01383	12.6
59.93396	1.0
61.98843	2.1
71.43141	1.0
72.99300	1.2
73.02953	3.6
75.00879	1.3
81.03450	2.8
86.72908	1.0
87.47839	1.0
89.20032	0.9
93.52559	1.0
96.96021	1.4
99.04529	52.4
101.02454	10.8
103.22970	0.9
105.21638	1.1
109.77930	1.0
123.04558	1.7
125.02457	49.2
133.02919	1.3
135.04507	2.3
138.25311	0.9
149.06018	1.2
157.53752	1.0
161.02444	3.4
179.03560	1.5
218.85336	0.9
258.84198	1.1
319.22797	100.0
320.23068	5.5
333.24423	4.0
361.23810	4.4
423.76752	1.0
623.35187	1.2
716.65546	1.2
723.73853	1.1
723.88525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20307	0.1
59.01387	1.0
61.98837	100.0
65.92027	0.1
70.61699	0.2
70.62031	0.2
109.02965	0.4
126.68898	0.2
133.03017	0.3
135.04550	0.3
161.02536	0.4
172.95093	0.1
185.02592	0.2
193.26810	0.2
236.19139	0.1
279.02921	0.2
293.04749	0.4
294.05066	0.2
319.02591	0.2
321.04279	0.2
487.34399	0.2
488.34650	0.9
489.35040	1.1
490.35269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.9587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71412	0.5
59.01385	58.8
60.01698	0.6
71.40786	0.4
71.41183	0.5
73.09598	0.4
115.83635	0.4
132.98196	2.0
157.03609	0.5
174.99263	27.4
188.27191	0.5
201.02617	4.2
217.00316	100.0
218.00595	1.1
284.97522	0.5
332.98373	0.9
359.01514	10.1
374.99246	70.0
375.99826	1.4
517.00482	12.3
532.98419	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	0.2
72.99316	2.3
95.05025	0.2
98.22633	0.9
101.77499	0.2
105.03472	0.5
109.02972	2.0
117.03451	0.5
121.02952	0.4
122.03688	0.2
123.04549	1.1
133.02982	2.5
134.03732	0.3
135.04539	3.4
145.02982	1.2
149.02440	0.4
151.04005	0.5
159.04451	0.3
160.01627	0.3
160.19385	0.2
161.02464	2.2
163.04025	0.3
176.04660	0.3
177.01952	1.6
179.03503	1.4
185.02466	1.0
186.03174	0.3
197.04578	1.3
219.04530	0.2
220.05377	0.2
235.04065	0.6
237.05630	0.3
240.18605	0.3
248.04800	0.3
251.72681	0.2
253.05145	0.4
263.03519	36.0
264.03891	1.8
265.05005	0.7
267.06683	0.6
277.05231	0.3
279.02975	0.4
280.03537	0.2
291.03003	1.3
293.04614	1.4
295.06100	0.8
307.08347	0.6
309.04123	1.7
310.07446	0.2
311.05472	0.4
319.02307	0.5
321.04169	1.5
335.01996	100.0
336.02325	5.1
337.09552	0.3
339.05228	1.4
349.03610	0.3
363.83817	0.2
435.20468	0.2
471.07251	0.6
489.08258	0.9
503.16150	0.4
515.06329	0.7
517.07715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.1
61.98829	3.4
71.01372	7.8
72.99316	28.1
73.02932	2.3
81.03464	2.7
81.68306	2.3
85.02964	4.2
88.98801	8.8
101.02446	8.7
105.03496	2.5
108.02183	22.6
109.02965	48.0
113.02483	3.7
121.02962	5.0
123.04541	100.0
124.01817	2.3
124.04879	2.8
133.02986	8.1
134.03697	7.4
135.04552	55.8
137.02448	4.9
145.02962	5.8
147.04567	4.6
148.01736	2.5
149.02461	12.3
151.04037	14.0
157.02899	5.0
159.04532	10.7
161.02411	5.2
161.04509	2.7
164.01202	5.7
165.01959	5.8
173.02466	5.8
177.01956	3.8
179.03525	27.3
179.05038	2.7
179.05682	2.2
185.02454	59.4
186.03185	12.3
193.06616	2.6
197.04564	26.5
197.06166	3.2
201.01874	2.3
203.05539	2.1
209.06055	4.7
211.04137	4.3
211.06136	78.3
219.04575	5.0
220.05341	5.6
221.06107	7.0
235.04153	4.6
236.04788	5.9
237.05548	7.9
239.07098	2.4
247.03992	8.7
248.04884	12.7
249.05574	10.9
250.02736	2.2
250.06023	3.7
251.03561	10.0
251.06833	2.0
252.04161	2.6
263.03534	12.6
263.07416	2.6
264.04196	12.7
265.05017	15.5
266.05719	5.5
267.06635	10.8
268.06897	2.6
269.08124	4.9
269.19009	2.3
275.03464	6.4
276.04224	12.1
277.05173	14.3
279.03021	17.0
279.86536	2.1
280.03751	5.7
281.08237	2.1
291.02887	6.7
291.06381	3.6
292.03726	13.8
292.06546	2.0
293.04578	59.7
294.05194	16.0
295.06088	22.2
305.04486	3.4
307.06137	6.8
309.07742	10.1
311.05673	5.0
317.04309	2.2
319.02545	24.5
320.03189	18.7
321.04068	40.6
322.04739	4.4
335.01834	4.2
335.05627	45.1
337.03601	3.4
339.01285	3.1
339.05078	34.9
340.05658	2.6
353.06696	99.0
354.07037	5.9
359.07776	18.5
379.04657	3.6
471.11142	13.4
473.08572	5.2
483.07156	2.4
491.10190	3.1
515.10004	15.9
517.07819	13.6
533.10889	2.9
611.34210	4.7
671.36462	5.7
715.77325	2.5
743.33038	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	713.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83809	3.3
58.41751	3.6
59.01382	11.5
59.80391	2.8
61.98825	8.5
69.21975	12.2
69.22375	5.3
72.99326	29.3
86.60142	2.9
88.98770	4.1
92.44239	3.6
102.39516	3.2
102.73299	2.9
108.02204	21.1
109.02985	30.3
122.03788	3.8
123.04543	100.0
130.73366	3.3
134.03648	4.7
135.04553	87.5
137.02443	5.0
145.02959	7.5
149.02460	14.4
151.04016	12.1
151.51457	3.5
159.04495	12.7
161.02426	4.2
164.01144	6.1
165.01938	3.4
177.01949	4.5
179.03502	39.0
180.75505	3.4
185.02461	62.9
186.03220	11.6
197.04570	28.8
211.06133	70.1
219.04460	5.3
221.06137	5.5
235.03995	4.0
236.04901	5.1
237.05576	8.8
239.07063	3.4
247.03886	7.7
248.04697	10.2
249.05698	4.1
263.03622	5.3
264.04245	11.6
265.05057	13.3
266.05722	5.3
267.06561	7.8
275.03659	5.9
276.04245	9.6
277.05042	11.2
279.03000	12.3
280.03802	5.7
291.02994	5.5
292.03760	12.7
293.04614	38.6
294.05246	12.6
295.06094	17.6
295.61508	3.2
307.06097	5.2
309.07724	17.2
319.02487	8.7
320.03201	14.5
321.04025	33.4
335.05609	46.3
336.87393	3.3
339.05093	18.8
353.06686	96.4
359.07712	14.9
471.11035	19.4
489.12115	3.7
515.09802	27.2
517.07806	9.5
533.11346	4.9
563.56372	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	713.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90956	9.7
59.01387	27.2
60.99303	17.2
61.98826	16.7
69.44343	59.8
71.01387	14.1
72.99338	14.0
82.52151	13.4
83.89918	9.6
88.98811	100.0
89.02451	21.6
98.21896	20.5
133.02904	9.9
135.04535	30.8
144.23993	10.7
161.02452	44.1
162.02805	17.7
179.03525	12.5
185.00992	12.1
219.68132	12.6
279.23352	36.9
397.13449	72.7
415.14557	19.3
595.04999	13.3
713.35199	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.9
61.98826	27.2
62.85002	14.7
63.76750	15.2
69.33065	80.2
72.99319	25.2
89.02468	16.3
91.23676	14.7
99.04551	24.6
133.02997	27.4
135.04552	36.0
150.00551	16.1
161.02446	90.0
162.02692	18.9
179.03520	24.5
207.21919	20.0
218.54094	16.1
249.79008	17.5
279.23343	55.0
395.67343	19.7
397.13458	100.0
415.14941	27.0
417.86789	20.4
447.01773	18.3
713.35443	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	43.8
61.98834	2.5
62.75802	1.6
69.42599	7.9
71.01387	27.0
73.02959	5.5
83.01401	2.7
85.02966	6.6
86.23483	1.6
87.00881	5.7
87.65255	1.7
89.02456	28.3
97.02948	5.1
98.21888	3.1
101.02456	22.6
111.04485	1.7
113.02455	13.9
119.03513	7.5
125.02473	10.1
139.89552	1.6
143.03490	3.9
161.04559	4.3
163.49016	1.7
179.05573	4.0
218.86673	2.2
235.08241	10.0
255.23325	84.1
256.23648	3.3
287.07709	3.9
305.08667	4.6
317.76743	1.9
397.13559	100.0
398.13730	3.9
415.14551	34.4
653.37445	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	715.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58607	1.2
67.64718	1.1
69.34638	2.3
69.35040	4.5
72.99314	23.7
73.17990	1.3
79.63721	1.2
88.56712	1.1
89.03947	1.2
96.49588	1.2
97.15957	1.1
105.03506	1.6
105.44425	1.2
107.04993	2.5
108.02195	23.3
109.02944	8.2
119.05020	1.5
120.99139	1.4
123.04540	27.3
127.66231	1.2
133.02974	10.5
134.03827	6.0
135.04544	73.5
136.04889	1.2
144.02151	2.2
145.02953	11.9
146.03819	1.4
147.04515	2.4
149.02417	2.0
151.04021	2.2
157.02960	2.9
158.03687	1.9
159.04590	8.0
160.01669	2.4
161.02470	19.5
163.04013	4.3
164.04251	1.2
172.01842	1.3
173.02394	1.1
175.03999	3.1
177.01967	6.8
178.78151	1.3
179.03511	15.7
181.05051	4.4
182.30664	1.4
185.02446	54.8
185.04120	2.8
186.03212	11.4
195.10562	1.4
197.04585	18.2
209.06128	2.0
219.04439	2.7
220.05318	2.4
221.06142	1.8
235.03935	1.7
236.04759	3.5
237.05455	3.0
238.06235	2.0
247.04056	2.3
248.04674	7.2
249.05560	5.0
251.03476	1.9
255.06572	1.5
260.04889	2.1
263.03476	5.1
264.04160	6.8
265.04977	7.6
266.05817	6.6
267.06723	2.2
275.03528	3.8
276.04376	10.6
277.04977	9.9
279.03018	4.5
281.08282	2.9
283.09613	1.6
291.02988	3.4
291.06171	1.6
292.03842	16.2
293.04608	18.9
294.05322	17.0
295.05997	4.5
303.03131	1.8
304.03781	4.5
307.06168	8.6
309.07742	31.8
319.02515	2.0
320.03250	22.0
321.04050	13.2
327.08771	2.1
335.05643	100.0
336.05856	6.3
339.05084	3.8
353.06696	77.3
354.06848	4.2
359.07571	2.5
507.12903	8.6
526.80609	1.3
533.10968	71.4
534.11096	7.4
551.12030	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	715.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.3
61.98839	0.4
69.44019	1.4
71.01366	0.3
74.54417	0.3
101.02447	0.4
101.91940	0.3
104.05101	0.3
105.03473	0.5
106.06560	0.4
109.02972	1.1
122.06162	1.1
123.04559	2.8
132.02217	1.3
133.02980	23.2
134.06129	1.9
135.04575	0.8
150.03224	0.6
151.04036	4.8
151.27353	0.3
159.04553	0.4
161.02470	100.0
162.02815	1.9
167.63605	0.3
172.65147	0.3
177.01869	0.4
182.35760	0.3
188.07283	0.4
213.10156	0.4
239.11868	0.6
241.13354	0.4
265.09927	0.5
269.08273	2.0
277.09732	0.5
278.06918	0.3
279.07755	0.4
279.11496	0.3
285.12473	1.0
293.04517	0.4
293.09369	1.3
293.12805	0.6
295.10794	0.8
305.09344	0.6
306.10172	0.4
307.10916	0.4
313.07217	23.3
314.07611	1.2
337.08365	0.9
341.11035	0.3
365.11362	0.4
400.16830	0.7
414.18179	0.3
442.17963	0.4
456.19531	0.4
486.16696	0.4
516.21387	0.7
546.18744	1.0
547.23535	0.6
560.20502	1.9
592.22809	2.3
607.17474	0.3
607.25433	1.7
639.28210	1.7
651.24786	1.0
653.48846	0.3
683.27405	5.2
715.29730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	26.3
61.98826	1.1
70.51853	0.4
71.42467	0.6
72.99290	0.7
80.05069	2.1
92.05089	0.9
94.06578	0.8
102.33617	0.4
104.05073	0.4
105.03475	0.5
106.06653	4.0
107.03804	0.8
108.04556	1.0
109.02978	1.6
118.06696	0.5
120.04614	0.8
121.05353	1.0
122.06140	10.4
123.04536	3.1
130.06657	0.7
132.02139	0.6
132.04544	0.9
133.02971	24.0
134.06143	18.1
135.04535	1.6
136.07704	1.0
146.06137	1.3
148.04037	1.3
149.02409	0.5
150.03232	1.0
151.04027	4.8
152.07155	2.3
158.06065	0.8
159.04488	0.9
160.04065	1.0
160.06447	1.1
161.02463	100.0
162.02821	1.9
162.05589	0.5
174.05627	1.2
177.01836	0.6
179.03554	0.5
180.06691	1.4
185.02536	1.0
186.05661	0.6
188.07199	2.9
190.05055	0.5
194.08179	0.7
197.04561	0.5
198.12938	0.6
211.08800	1.6
213.10344	5.0
223.08908	1.5
224.09396	0.7
225.10329	2.8
226.11229	1.1
227.11960	2.2
234.07878	0.5
235.08891	0.6
237.10361	2.4
239.11908	5.6
241.13460	3.9
248.09761	0.6
249.10391	1.5
250.07547	2.2
250.11263	0.6
251.08296	1.3
251.12029	1.4
252.08972	0.6
253.09839	1.9
253.13533	0.9
262.07553	1.0
263.08350	1.4
263.11938	0.6
264.08966	0.9
265.09833	3.9
266.10602	0.7
267.11386	1.6
269.08243	2.4
277.09830	4.3
278.07031	2.6
278.10632	2.2
279.08221	3.2
279.11401	2.9
285.12476	11.8
287.14212	0.7
288.39511	0.5
291.07874	1.8
292.08606	1.6
293.09369	12.3
293.12967	4.2
294.10129	3.5
295.06009	0.7
295.10901	6.1
305.09323	4.4
306.10187	2.4
307.10855	5.6
308.11639	0.6
309.12436	0.9
313.07224	22.4
314.07312	1.1
321.04022	0.9
328.14713	0.5
337.08313	4.7
337.12045	1.2
338.09015	1.1
339.09857	0.8
339.13538	0.5
341.43356	0.5
342.12503	1.0
351.09912	0.6
355.12915	1.1
356.14005	0.7
358.15558	2.5
365.11325	1.6
367.13156	0.7
368.14072	0.7
370.15695	1.4
372.17099	1.1
383.12943	0.7
384.13644	2.1
385.14169	0.9
396.13535	0.7
397.14203	1.0
398.15128	1.9
399.16013	1.2
400.16507	4.1
412.16748	2.0
413.17456	2.2
414.18417	1.1
426.14587	2.1
440.16235	1.3
441.17050	2.1
442.17719	3.6
444.15631	0.8
456.19370	2.3
458.17142	1.2
460.18625	0.8
468.15741	2.0
474.20703	0.6
486.16736	3.6
500.18027	1.2
501.18976	1.8
502.19931	1.9
516.21484	6.4
518.19476	1.0
532.20984	0.9
545.18097	2.2
546.18842	9.9
547.23914	4.4
560.20398	18.1
561.20752	1.4
565.24365	2.5
577.20599	1.0
578.21521	1.9
579.26324	1.4
591.22491	2.1
592.23010	17.4
593.23431	1.3
607.25757	12.2
608.26245	0.6
610.23712	0.5
611.33868	0.7
623.25085	2.4
639.28351	13.3
641.26251	0.6
651.24768	7.9
652.25031	0.7
683.27258	40.3
684.27625	2.6
715.29761	6.6
716.30237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	52.6
60.92244	0.7
80.05077	5.3
84.86806	0.7
92.05121	0.7
94.06641	1.0
104.05097	2.1
106.06631	9.6
107.03768	2.2
108.04539	1.8
118.06641	0.8
120.04548	2.0
120.08180	1.0
121.05325	1.6
122.06139	24.0
123.04533	0.9
130.06667	1.7
132.04579	0.9
133.02988	6.7
134.06142	41.4
135.04521	1.3
135.06441	0.7
136.07715	1.6
146.06123	2.2
151.04015	2.0
152.07176	4.3
160.04066	2.4
160.06415	2.6
160.07648	1.0
161.02472	36.5
162.02774	1.0
162.05609	0.9
171.63148	0.7
173.04898	1.4
174.05630	4.2
179.03532	1.0
180.06740	3.8
186.05682	1.2
188.07191	7.5
190.05162	2.1
194.08229	2.7
198.12788	1.0
211.08777	2.6
213.10381	13.8
214.10657	0.8
214.12473	1.2
223.08763	1.9
223.12358	1.0
224.09570	1.0
225.10371	6.2
226.11143	3.2
227.11906	4.8
235.08788	2.5
236.09525	0.9
237.10391	3.6
238.07343	1.2
238.11223	0.8
239.08159	0.9
239.11928	12.4
240.12421	1.0
241.13489	10.8
247.08844	1.3
249.10379	2.7
250.07501	5.1
250.11110	1.1
251.08180	4.4
251.11931	4.9
252.08994	1.4
253.09901	4.5
253.13530	0.9
261.10486	0.9
263.08292	3.2
263.11887	1.5
264.08954	1.7
265.06772	1.4
265.09811	8.6
266.10617	1.8
267.11444	5.5
275.08264	1.0
276.08929	1.1
277.09802	11.4
278.06985	6.5
278.10605	4.9
279.07755	7.0
279.11374	5.3
280.08392	0.9
285.12463	26.5
286.12659	0.8
287.13931	2.1
291.07773	3.7
291.11258	1.5
292.08530	3.2
293.09344	26.3
293.12991	7.2
294.10107	8.2
295.10883	14.5
304.08685	0.9
305.09351	6.8
306.10049	6.4
307.10913	13.1
308.11551	1.1
309.12372	2.2
313.07166	8.6
314.07437	1.2
319.10861	1.5
320.08121	0.9
321.08859	1.4
321.12390	2.7
327.14395	0.8
328.11032	1.1
328.14694	0.8
330.16312	1.0
337.08331	14.5
337.12000	1.5
338.08920	3.1
338.13071	0.7
339.09818	2.2
340.14847	1.0
342.12433	1.7
343.13010	1.4
351.09827	2.6
354.12552	0.9
355.13168	3.1
356.14001	2.3
356.17883	1.5
357.15109	1.5
358.15622	7.2
365.11322	5.2
367.12808	1.1
370.11810	2.0
370.15698	2.6
371.16223	1.2
372.17160	2.3
374.18616	1.1
384.13208	3.7
385.14249	2.3
397.14200	3.3
398.15060	3.2
399.15808	3.0
400.16724	11.6
401.17279	1.4
412.17184	5.0
413.17560	1.9
414.18182	2.9
424.16672	1.3
426.14392	4.1
427.15692	1.2
440.16254	2.6
441.16797	5.0
442.17795	9.5
444.15668	1.6
445.16382	1.7
456.19302	6.6
458.17215	2.9
460.18793	1.3
468.15778	2.8
472.15161	1.5
473.19940	0.8
474.20193	2.3
485.15897	1.5
486.16736	8.8
488.21570	0.9
500.18292	1.8
501.19031	3.9
502.20035	5.7
505.22113	1.4
516.21460	15.8
517.20667	1.0
518.19177	2.4
520.21765	1.0
532.21094	1.4
539.26849	1.2
545.17700	4.5
546.18835	21.6
547.24194	8.4
560.20441	38.5
561.20660	4.3
565.24365	3.9
577.20569	1.2
578.21637	4.2
579.26184	2.2
591.22125	4.9
592.23053	38.8
593.23041	4.0
607.25720	31.2
608.25623	3.6
623.25024	6.3
639.28326	30.2
640.28748	4.0
651.24750	18.3
652.25049	2.9
683.27307	100.0
684.27716	12.6
687.95490	0.7
715.29968	19.1
716.30469	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	715.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15133	1.9
54.02114	1.8
59.01387	74.6
61.98818	5.1
64.92831	1.8
72.99320	9.2
80.05067	5.1
90.33009	1.9
94.06676	2.1
95.05030	4.1
96.95998	1.8
104.05053	3.3
105.03435	9.5
106.06639	16.4
107.03775	4.9
108.04561	3.6
109.02978	14.3
111.67055	1.9
115.33414	1.7
120.08168	2.1
122.06129	43.8
123.04491	5.7
130.06647	3.2
132.04482	2.7
133.02979	47.3
134.03841	2.2
134.06140	74.0
135.04553	19.3
137.02379	2.2
146.06131	5.1
151.04030	2.4
152.07202	4.6
152.81238	1.8
158.06093	2.2
160.04024	3.5
160.06427	3.3
161.02454	39.5
162.02773	3.4
174.05577	6.1
177.01947	30.4
179.03540	12.4
180.06689	4.5
185.02397	6.0
186.05705	3.4
188.07175	11.1
190.05157	2.5
194.08220	4.1
197.04610	9.8
211.08728	4.6
213.10391	17.0
221.06104	2.3
223.08737	3.9
225.10344	14.2
226.11078	5.3
227.11827	10.8
235.08752	2.6
237.10402	5.8
238.07516	2.8
238.11028	3.9
239.11920	21.7
241.13507	13.2
249.10257	7.1
250.07500	4.6
251.08250	5.8
251.12102	9.3
252.09038	3.0
253.09776	8.9
263.08188	5.2
264.09048	3.5
265.09863	10.6
267.06668	6.1
267.11334	6.5
277.09790	13.7
278.06949	6.3
278.10526	5.5
279.03012	3.0
279.07721	12.6
279.11371	8.5
280.08478	2.5
281.12897	2.7
285.12469	34.6
287.13925	2.8
291.07904	3.3
291.11295	3.1
292.08466	4.8
293.04416	4.2
293.09305	38.5
293.12936	7.9
294.10168	10.8
295.06027	6.0
295.10901	26.2
305.09317	10.6
306.10022	7.5
307.11005	17.1
309.12408	4.1
313.07101	3.0
321.04034	14.4
321.08469	3.1
321.12311	3.6
322.04422	3.0
337.04178	2.7
337.08282	19.4
337.11932	2.9
338.08945	3.9
339.04935	7.0
339.09439	2.2
340.14542	4.1
342.12369	3.5
343.13223	2.7
353.07117	2.1
355.13022	7.1
356.13913	4.0
357.14835	4.2
358.15692	17.3
359.07703	8.1
365.11374	7.0
367.12924	4.3
370.11850	3.4
372.17279	3.9
383.12616	2.3
384.13480	5.6
384.17572	3.6
385.14169	4.5
386.14975	5.3
397.14066	5.1
398.14972	7.8
399.15771	6.8
400.16693	20.1
401.17325	4.8
412.16623	5.8
413.17575	3.7
414.18234	6.8
418.17871	2.7
426.14465	5.1
440.16125	2.4
441.16956	8.9
442.17770	12.0
443.18430	2.8
444.15686	5.8
445.16321	6.5
456.19339	6.7
458.17236	6.6
460.18762	7.1
468.15387	3.4
474.20282	8.2
486.16583	11.3
491.21204	2.6
500.18506	4.9
501.19153	5.8
502.19806	5.6
505.22787	2.9
516.21478	14.0
517.19257	2.1
518.19269	4.3
519.09729	3.3
519.23419	2.4
520.20642	13.7
532.21466	4.9
539.26459	3.6
545.18481	5.9
546.18903	20.0
547.23950	15.1
548.24078	4.2
560.20447	59.2
561.20447	5.3
565.24896	12.1
577.20874	5.7
578.21277	15.0
579.26135	4.4
591.22424	12.9
592.23065	83.7
593.23523	10.5
607.25696	45.3
608.26001	6.7
610.24402	4.4
618.09833	2.0
623.25189	13.4
639.28192	27.6
640.28735	2.7
641.26398	2.5
651.24500	41.1
652.25006	5.2
683.17529	1.6
683.27240	94.4
684.27405	14.4
715.29895	100.0
716.29974	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	715.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	53.1
61.98830	2.1
62.35956	1.5
69.91854	1.4
70.34280	2.1
71.01385	4.3
72.99313	4.2
73.02949	2.8
80.05080	2.3
82.28043	1.7
84.46900	1.4
85.02984	2.2
100.15897	1.5
101.02462	3.4
106.06664	7.9
107.03808	2.2
108.04591	2.4
109.02957	5.1
113.02515	2.3
120.04528	2.8
122.06144	16.4
123.04559	2.1
133.02972	13.3
134.06140	35.9
135.04526	11.9
136.07716	2.7
146.06232	2.1
149.02455	2.6
152.07167	4.9
160.04114	1.9
161.02487	11.4
174.05643	2.4
177.01978	5.3
179.03491	5.5
180.06619	2.6
185.02446	2.1
188.07149	7.1
194.08278	3.1
197.04604	4.5
213.10309	7.2
215.37431	1.4
225.10355	5.6
226.10942	2.2
227.11815	4.7
235.08884	3.2
237.10373	3.6
238.11426	1.8
239.11931	7.3
241.13464	5.2
249.10315	3.4
250.07396	8.7
251.08215	5.5
251.11803	3.5
253.09915	3.0
263.08240	3.8
264.08890	2.2
265.09814	13.9
266.10507	3.4
267.06714	2.0
267.11279	3.9
277.09756	7.8
278.06989	14.3
278.10529	4.9
279.07770	10.3
279.11053	2.8
285.12469	13.8
291.07645	6.2
292.08548	2.7
293.09372	53.4
293.12717	4.1
294.10144	11.4
295.06094	3.0
295.10904	11.2
305.09283	5.4
306.10110	8.9
307.10919	11.8
307.72409	1.8
309.12454	4.0
320.11368	2.0
321.04099	4.5
321.12512	1.9
337.08380	24.0
337.12000	3.1
338.09103	4.4
339.05060	2.2
339.10202	1.8
351.09961	2.1
355.13113	2.0
358.15634	3.6
365.11520	2.5
370.15570	2.4
384.13449	4.2
384.17639	2.3
398.14926	2.3
400.16666	5.6
412.12494	1.9
413.17520	4.2
414.18268	3.0
418.17780	1.9
420.50510	2.0
424.16937	2.3
426.14603	6.1
440.16406	2.3
441.16931	6.4
442.17755	8.2
444.15314	1.8
456.19424	5.1
458.17133	2.4
472.14560	2.5
474.20337	2.8
485.15994	3.7
486.16504	6.5
500.18243	5.5
501.19006	5.5
502.19937	2.9
504.17938	1.9
516.21686	20.0
517.21570	1.7
520.47302	1.9
525.27216	2.7
532.21228	2.4
543.27350	2.2
545.17828	10.0
546.18866	16.8
547.23865	3.8
560.20428	91.0
561.20892	9.2
565.24963	3.0
577.20599	7.0
578.21002	2.8
585.29279	3.1
591.22632	3.7
592.23090	100.0
593.23193	6.8
607.25751	19.1
623.25366	4.8
627.30408	2.3
639.28235	15.3
651.24597	9.8
683.27240	61.3
684.27893	6.3
715.30096	12.0
716.30029	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	716.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56497	0.2
61.98835	100.0
69.68185	0.4
72.99319	0.7
103.55577	0.2
109.02951	1.7
117.85315	0.2
133.03006	0.2
135.04562	0.8
161.02493	0.3
173.02357	0.2
179.03621	0.4
182.59091	0.2
185.02443	1.6
186.03215	0.5
197.04631	0.6
212.51140	0.2
221.06070	0.3
228.09465	0.2
244.04985	0.2
248.04996	0.3
249.05695	0.7
251.03564	0.3
265.05136	0.3
267.06760	0.3
267.91983	0.2
277.05029	0.9
279.02975	1.2
280.03656	0.3
293.04703	0.7
295.06174	1.7
321.04068	7.1
322.04468	0.3
339.05176	2.1
519.09381	2.7
520.09875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38869	1.6
61.98827	5.9
72.99313	1.8
77.73631	1.3
82.21872	1.3
94.03220	1.4
109.02971	2.9
109.27958	1.4
109.60454	1.5
133.02975	1.9
135.04521	2.7
161.02455	4.6
162.21645	1.4
166.68375	1.4
183.13905	4.4
211.13409	100.0
224.70461	1.6
235.08356	2.0
239.55843	1.6
253.09248	3.7
293.04453	1.9
313.07092	2.3
321.04001	5.2
339.05005	2.5
357.06046	2.3
447.22400	14.3
517.78717	1.7
519.09326	3.2
623.34467	2.6
641.34991	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	717.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85371	0.9
53.14431	0.9
57.13028	0.8
70.70626	1.5
72.99316	4.2
74.93079	0.8
93.03450	1.0
95.58839	1.0
98.21950	1.0
108.02158	0.9
109.02957	29.2
121.03004	0.9
123.04513	2.4
135.04550	8.6
137.34950	0.7
145.03006	0.9
147.04546	1.8
157.02937	2.6
159.04527	3.0
173.02438	1.8
175.04022	1.3
179.03505	2.5
184.01691	1.2
185.02452	22.2
186.03220	4.6
193.06651	2.4
197.04570	2.1
209.06046	1.4
220.05379	1.7
220.55571	0.8
221.06100	4.0
223.03923	1.5
225.05594	2.0
235.04218	1.0
237.05495	1.8
239.07121	1.3
247.03995	2.2
248.04808	2.5
249.05608	6.7
250.02682	1.6
251.03496	6.7
252.04323	3.1
264.04141	2.0
265.05096	8.5
266.05960	1.6
267.06601	3.4
276.04474	1.5
277.05051	12.1
279.02985	15.6
280.03690	3.0
292.03848	1.2
293.04568	10.0
294.04962	1.5
295.06125	21.7
303.03204	1.7
321.04050	100.0
322.04376	6.0
339.05109	22.7
372.66376	1.0
475.10312	1.2
493.11307	2.2
519.09357	41.5
520.09583	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	717.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13875	2.5
69.14278	2.1
72.99311	9.6
73.64794	0.7
78.48668	0.6
87.09242	0.7
93.03470	0.7
93.06337	0.7
98.22679	1.6
105.03471	2.8
108.02182	2.1
109.02968	30.1
113.27055	0.8
121.02974	2.1
123.04549	9.2
133.02980	19.8
134.03392	0.8
135.03525	1.1
135.04535	19.6
136.04799	0.9
145.02980	0.9
147.04524	2.2
151.04016	9.6
157.02972	1.9
159.04521	2.9
160.01683	0.8
161.02466	46.4
162.02823	0.9
173.02435	2.6
175.04076	1.4
177.01987	4.1
179.03520	18.7
185.02455	18.5
186.03223	4.0
193.06522	1.4
197.04564	6.3
203.03453	1.3
219.04729	0.7
220.05359	1.6
221.06062	2.9
224.04619	1.2
225.05597	2.0
232.05367	1.3
237.05629	1.6
239.07158	2.5
247.04085	1.6
248.04831	3.0
249.05566	7.1
250.06224	0.9
251.03403	4.5
252.04263	2.0
260.90848	1.0
265.02271	0.8
265.05042	6.6
266.05737	1.0
267.06628	5.6
269.08490	1.1
276.04398	1.9
277.05069	11.4
278.05637	0.8
279.03012	15.1
280.03763	4.1
292.03815	1.0
292.57297	0.6
293.04605	9.3
294.04962	1.0
295.06174	21.3
296.06558	1.3
303.03021	1.9
308.42511	0.8
313.07294	6.4
321.04062	100.0
322.04391	4.5
339.05112	22.9
340.05463	1.7
357.06216	2.4
359.07709	7.0
493.11505	1.6
519.09393	37.5
520.09662	1.7
537.09998	0.9
567.97491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85004	1.0
63.69195	0.9
69.52468	3.6
72.99322	14.1
81.03445	1.1
82.17829	1.0
90.86905	0.9
93.03437	0.9
95.05006	1.6
105.03487	3.9
107.05106	0.9
108.02199	2.0
109.02963	31.7
121.02952	2.4
123.04538	9.6
133.02979	22.7
134.03792	1.6
135.04541	24.5
145.03012	1.9
147.04544	1.8
151.04030	10.8
157.02998	1.2
159.04530	3.0
160.74719	0.8
161.02466	49.9
167.88206	0.9
173.02457	3.3
175.03992	2.6
177.01973	7.1
178.02321	1.6
179.03539	16.5
185.02452	22.6
186.03264	5.0
193.06651	2.9
197.04611	6.5
209.06192	1.4
220.05209	2.0
221.06128	5.3
223.04018	1.2
224.04890	1.5
225.05612	3.2
227.03648	1.2
237.05626	1.6
239.07155	3.2
248.04800	3.2
249.05609	10.5
251.03482	6.8
251.07237	1.6
252.04208	2.9
253.04987	1.0
257.08173	3.4
264.04279	1.6
265.05112	10.3
266.05466	2.4
267.06683	4.6
269.08246	1.8
275.03589	1.9
276.04398	2.5
277.05020	13.3
279.03015	17.2
280.03717	5.3
293.04587	11.3
294.04932	1.9
295.06140	22.8
303.03116	2.1
313.07208	7.8
321.04074	100.0
322.04443	5.1
331.08273	1.6
339.05075	24.1
340.05585	1.1
357.06165	8.0
359.07745	6.2
393.08310	10.4
508.49045	1.1
519.09326	39.6
520.09497	2.2
537.10388	1.6
551.51624	1.1
555.11249	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	717.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31830	0.6
61.37780	0.6
63.73553	0.8
66.84174	0.6
72.99312	3.2
109.02964	26.1
121.02946	0.9
122.51932	0.8
123.04575	1.0
135.04539	7.3
159.04544	2.5
161.02452	1.1
173.02446	1.5
175.04082	1.0
179.03525	2.0
185.02444	19.7
186.03300	3.7
193.06606	1.1
197.04575	2.8
197.06200	0.7
205.06744	0.7
209.06142	1.0
219.04463	1.2
220.05334	2.1
221.06047	3.5
224.04823	1.2
225.05603	1.7
231.04396	0.8
237.05450	0.8
239.07124	1.2
247.03972	2.0
248.04808	2.7
249.05569	9.5
251.03500	4.8
252.04193	1.9
265.05130	6.6
266.05457	0.9
267.06638	3.2
275.03500	1.4
276.04242	2.2
277.05026	11.1
278.02420	1.0
279.03030	14.0
280.03717	3.9
292.03888	0.8
293.04550	12.0
295.06134	21.0
303.02911	2.4
304.03903	0.8
321.04053	100.0
322.04428	4.0
339.05127	25.1
340.05081	1.2
416.02484	0.8
472.92456	0.8
475.10263	1.3
493.11371	1.5
519.09381	34.9
520.09692	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83913	0.4
56.15034	0.4
61.52156	0.4
70.70846	0.7
72.99309	4.1
76.66113	0.4
82.38992	0.4
93.44071	0.4
107.01402	0.6
108.02189	1.1
109.02961	31.2
113.03990	0.6
121.02998	0.8
123.04533	2.4
134.03752	0.9
135.04543	8.0
141.03403	0.7
145.02962	1.3
147.00833	0.5
147.04512	1.6
149.02406	0.9
157.02953	1.8
158.03798	0.6
159.04460	2.5
161.02449	0.8
171.91783	0.4
173.02405	2.5
174.03215	0.6
175.04044	1.2
179.03511	2.5
184.01648	1.0
185.02454	25.8
186.03221	5.2
193.06636	2.5
195.04581	0.7
197.04535	2.0
203.03497	1.0
204.05904	0.9
205.06577	0.4
209.06102	1.2
213.05495	0.4
219.04501	0.9
220.05299	1.5
221.06113	4.6
223.04019	1.6
224.04686	0.7
225.05536	2.2
229.01466	0.6
235.04024	0.7
236.04738	0.7
237.05615	1.8
239.07167	1.4
247.03917	2.0
248.04797	3.1
249.05571	10.6
249.08020	0.8
250.02631	0.9
250.06212	1.2
251.03523	6.2
251.06216	0.6
251.07216	0.7
252.04224	2.9
253.05176	1.2
263.03668	0.5
264.04269	1.1
265.05087	8.2
266.05771	1.0
267.06595	4.5
275.03503	1.8
275.77368	0.4
276.04303	1.9
277.05057	15.1
278.02145	0.7
278.05539	0.8
279.03012	17.4
280.03766	5.0
292.03635	0.7
293.04593	14.5
293.07922	0.8
294.04800	0.5
295.06128	23.1
296.06577	0.8
303.02969	2.9
304.03638	0.5
313.06921	0.6
321.04041	100.0
322.04401	5.6
339.05081	22.6
339.09302	0.6
340.05487	1.4
493.11359	1.2
519.09375	24.7
520.09613	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1468
Annotation	Clinopodic acid I
Peak:m/z	Relative Intensity
54.25315	0.7
57.14160	0.6
65.03980	0.7
65.34539	0.5
69.21179	2.0
69.21581	1.3
72.99316	37.1
73.13865	0.5
79.05562	0.8
81.03462	2.5
93.03461	1.8
95.05040	3.2
98.22626	1.2
105.03477	3.3
107.05040	2.7
108.02174	1.8
109.02959	6.3
111.49969	0.6
121.02985	4.1
122.03744	2.3
123.00893	1.9
123.04544	33.6
124.04868	0.5
133.02975	19.9
134.03790	5.3
135.04553	20.3
137.02487	2.5
148.01649	0.8
149.01329	0.8
149.02438	3.6
150.03241	1.0
151.04030	100.0
152.04416	3.2
159.04501	0.6
161.02469	48.6
162.02853	1.4
167.03575	0.8
176.01192	1.1
177.01947	6.7
178.02696	5.2
179.03517	18.0
185.02477	2.1
195.02997	14.6
195.04645	1.0
197.04587	15.2
197.06378	1.0
198.04950	0.6
236.29053	0.7
239.07050	1.1
259.27658	0.7
267.06796	0.8
269.08252	0.8
277.05118	0.9
279.02942	1.3
280.03793	0.9
283.06165	1.2
293.04651	1.3
295.06213	3.3
311.05667	1.2
313.07245	7.9
321.04031	11.5
322.04367	0.7
331.08386	1.0
339.05200	4.4
357.06186	18.6
358.06561	1.7
359.07791	16.7
360.07990	0.9
375.07220	1.8
388.12524	0.7
393.08316	34.6
394.08640	1.7
519.09363	10.5
520.09534	1.5
537.10297	1.2
555.11481	65.7
556.11877	5.1
717.13654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87165	5.9
56.58904	5.1
59.01387	100.0
61.98838	71.3
69.22102	28.9
83.53165	5.8
84.17844	6.9
96.32217	5.6
109.02975	19.9
135.04552	13.9
148.53577	5.6
151.02327	6.5
161.02489	19.2
165.20230	7.3
185.02478	12.7
197.04659	5.9
212.98790	5.6
224.95856	6.1
267.06769	7.9
277.05121	6.5
279.02982	11.1
280.03888	6.9
295.06055	20.6
321.04166	78.4
339.05133	20.3
496.13977	18.6
510.15564	9.3
511.15833	11.2
519.09467	37.8
561.44238	6.9
571.18695	7.8
599.21808	30.5
657.22156	14.1
717.24475	90.2
718.24329	12.4
725.99548	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	718.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71803	0.2
59.01388	1.5
61.98837	100.0
69.09355	0.9
72.99329	0.3
73.41646	0.1
101.02451	0.1
109.02989	0.3
122.66488	0.2
139.35880	0.1
161.02502	0.4
185.02522	0.3
185.97354	0.2
269.62552	0.2
275.59985	0.2
295.06155	0.2
321.04190	0.6
322.04547	0.5
339.05316	0.2
374.47830	0.2
412.06552	0.2
460.63974	0.2
513.77673	0.2
520.10126	0.2
583.77692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.7
59.01388	43.2
61.98840	4.1
68.00835	1.4
69.61790	1.3
71.01397	30.7
72.99318	3.8
73.02954	4.4
74.79199	1.5
83.01377	2.9
85.02959	5.1
87.00883	7.2
89.02460	29.9
95.01374	2.1
97.02963	5.6
97.87760	1.4
101.02461	23.9
102.02769	1.5
109.02957	9.6
113.02466	11.2
119.02779	1.4
119.03513	9.5
125.02470	10.3
132.11418	1.4
135.04543	3.9
143.03500	5.4
161.04568	5.1
179.05608	5.9
185.02454	6.6
186.02940	3.4
221.06458	1.8
235.08243	10.3
249.05598	3.1
250.05714	1.5
253.09120	1.5
265.05090	2.1
277.04971	1.8
277.21777	81.6
278.05524	2.9
278.22095	2.8
279.02850	4.5
280.03537	3.3
287.07828	4.0
293.04517	2.9
295.06122	6.3
296.06314	2.6
305.08798	3.8
321.04065	19.1
322.04373	15.6
323.09680	2.0
339.05173	4.8
340.05438	4.9
397.13544	100.0
398.13892	6.2
415.09366	2.5
415.14612	38.6
457.54971	1.5
467.32150	1.4
519.09302	3.6
520.09680	11.6
536.99396	1.4
582.71936	1.8
663.26178	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	718.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.5
59.01384	44.3
61.98829	2.7
69.03466	1.8
71.01387	27.8
72.99320	2.4
73.02956	4.4
75.00886	0.9
76.65584	0.9
81.03479	1.5
83.01406	3.2
83.05051	1.1
85.02968	5.5
87.00877	5.2
89.02454	31.2
95.01424	1.8
97.02976	5.2
98.22688	2.1
99.00874	1.9
101.02446	21.3
109.02983	2.1
111.04522	1.2
113.02451	11.4
119.03533	7.5
125.02465	8.6
131.03535	1.1
133.05106	0.9
135.04523	1.4
143.03572	4.6
161.02512	1.5
161.04562	6.2
179.05629	5.2
197.04668	0.9
199.38316	0.8
221.06631	1.3
235.08292	10.9
253.09259	3.0
262.70602	1.0
277.21741	77.0
278.22064	4.0
287.07776	2.9
295.06049	1.3
305.08832	4.5
321.03949	2.2
322.04300	2.8
323.09802	1.8
379.12601	1.2
397.13519	100.0
398.13867	3.8
415.14581	33.3
416.14954	1.7
528.10602	1.0
555.87915	1.0
675.35840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13795	0.5
57.15345	0.5
59.28036	0.6
70.93817	0.6
72.99313	18.6
73.99679	0.5
74.33787	0.5
96.95988	0.9
109.02971	2.3
123.04544	7.2
132.02222	0.8
133.02977	22.6
135.04533	18.5
136.04849	1.2
147.04688	0.5
151.04053	1.0
154.67282	0.5
155.15189	0.5
161.02461	100.0
162.02791	4.4
163.02943	0.6
179.03511	15.0
180.03975	0.5
185.02518	0.7
197.04578	21.9
197.06395	1.3
198.05014	1.1
198.98553	0.5
225.05658	0.6
268.07169	0.7
277.05167	0.6
279.03040	0.6
280.03244	0.6
295.06033	1.0
296.06509	1.7
297.06824	0.8
305.12317	0.6
313.07086	0.9
314.07410	1.0
315.07913	0.7
321.03928	2.9
322.04517	2.6
323.04626	1.9
339.05228	3.0
340.05475	3.6
341.05826	2.1
357.06335	0.7
358.06631	0.8
359.07755	41.1
360.08170	3.6
519.09924	0.9
520.09882	2.0
521.10193	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	719.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93956	0.5
54.16535	0.5
72.99316	14.2
109.02979	2.2
115.65173	0.6
123.04548	6.1
133.02968	21.9
135.04539	19.7
135.05341	0.5
138.83260	0.5
143.46069	0.5
149.06104	0.8
151.04042	1.0
161.02458	100.0
162.02777	3.2
167.32146	0.6
179.03522	14.9
180.03917	0.5
187.04010	1.2
190.72687	0.5
197.04584	18.0
243.06647	1.1
255.06602	0.8
321.04153	1.1
341.06549	2.1
359.07745	37.9
360.08057	1.6
391.07755	0.5
477.12863	0.6
521.10748	0.6
539.11963	0.8
719.16553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66248	0.5
53.84547	0.5
54.46207	0.5
57.01771	0.5
61.37269	0.5
69.44416	2.1
70.29043	0.5
72.99318	18.1
75.15937	0.5
89.03998	0.5
109.02972	3.1
110.03298	1.0
110.50394	0.5
123.04549	7.9
130.74858	0.6
132.02182	0.8
133.02972	22.6
134.03693	0.6
135.04543	21.1
136.04813	1.1
151.04073	0.9
161.02463	100.0
162.02765	1.6
167.51508	0.6
179.02032	1.1
179.03522	15.2
185.02451	1.5
186.02936	1.0
197.04567	19.3
225.05664	0.6
238.05740	0.8
244.89517	0.6
252.03839	0.6
266.05511	0.6
277.05005	0.9
278.05215	0.9
279.03015	0.9
280.03427	1.1
280.39539	0.6
293.04507	0.9
294.04993	0.6
295.06094	1.3
296.06512	1.2
303.03003	0.7
321.04044	5.1
322.04416	5.7
323.04819	3.3
339.05164	1.1
340.05414	1.5
341.05588	0.8
359.07770	22.7
519.08978	0.7
520.09723	1.3
521.09796	1.9
523.28040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59814	0.3
55.13617	0.3
70.95767	0.4
72.99316	15.7
89.90182	0.3
105.03458	0.5
109.02954	0.4
123.04527	6.6
128.97133	0.3
132.02216	1.0
133.02968	20.6
134.03758	0.5
135.04543	17.9
136.04868	0.6
140.82391	0.3
151.04092	0.4
161.02458	100.0
162.02771	2.9
179.03508	15.0
180.03876	0.9
197.04561	21.9
198.04820	0.7
223.02592	0.6
299.89700	0.4
313.16638	0.3
322.04672	0.5
359.07758	36.9
360.08081	2.3
521.09723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65189	0.2
59.01382	1.8
61.98838	100.0
70.65017	0.3
70.65329	0.3
72.99361	0.3
78.02901	0.2
84.12218	0.3
91.58042	0.2
101.40892	0.3
110.44578	0.3
110.99584	0.2
124.56374	0.3
133.13411	0.3
135.04576	0.4
161.02533	0.5
181.84256	0.3
197.04611	0.6
318.44531	0.3
319.47760	0.3
602.22284	0.7
660.22791	0.6
678.10541	0.3
720.23425	2.9
721.22467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71118	0.2
55.34790	0.2
59.01387	1.8
61.98836	100.0
66.68687	0.2
66.95926	0.3
71.01409	0.2
79.89573	0.2
80.76918	0.2
82.95422	8.3
84.00936	0.8
84.95131	2.2
85.00437	1.9
98.22754	0.3
101.02478	0.2
120.12605	0.2
135.04570	0.6
161.02490	0.6
173.24663	0.2
179.03467	0.3
215.06340	0.2
279.82294	0.2
394.39764	0.3
636.38519	0.4
678.39941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61993	1.1
54.90878	1.3
59.01384	38.3
61.98846	6.7
69.53703	3.9
71.01390	26.0
72.99308	2.3
73.02961	4.5
81.19803	1.5
81.94158	1.2
83.01403	2.3
85.02964	5.3
87.00896	5.9
89.02463	24.8
95.01385	2.3
97.02962	2.8
98.21876	2.6
99.00899	1.9
101.02454	20.0
104.03379	1.5
113.02458	9.9
119.03541	8.4
125.02476	9.5
131.03549	2.2
135.04509	1.5
137.05251	1.4
143.03522	4.1
161.04585	4.1
179.05637	4.2
186.28265	1.5
221.06645	1.7
235.08235	8.6
253.09326	2.5
279.23312	81.8
280.23608	6.4
287.07718	3.7
305.08853	4.2
321.03833	1.7
355.69803	1.5
397.13522	100.0
398.13766	5.8
415.14584	34.2
457.60165	1.5
537.12085	1.7
537.23065	1.4
677.37354	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	720.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	47.9
61.98825	8.3
66.51502	2.1
69.03454	3.0
71.01395	28.4
71.41071	2.2
72.99317	5.8
73.02953	7.8
75.98898	2.5
81.03437	3.0
83.01408	3.4
87.00887	7.3
89.02446	23.3
97.03010	4.1
101.02455	22.4
113.02479	13.6
116.92840	6.2
117.92824	2.6
119.03526	10.0
125.02458	8.8
133.02954	8.0
135.04543	8.4
143.03502	3.4
161.02440	31.4
161.04591	6.8
175.33597	2.6
179.03488	9.0
179.05586	5.8
197.04578	5.5
235.08261	10.3
253.09155	4.2
253.53061	2.7
279.23322	93.4
280.23657	4.4
287.07806	3.5
305.08701	4.8
321.03751	3.0
359.07761	23.2
360.08295	4.2
397.13535	100.0
398.13821	5.6
415.14618	39.8
657.27234	5.0
750.53278	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	721.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23837	0.7
55.01873	1.2
57.03458	1.6
58.00584	0.8
59.01385	78.7
61.98838	1.7
71.01385	35.2
71.48928	0.6
72.53806	0.6
72.99304	3.2
73.02949	12.3
77.57281	0.7
79.92160	0.7
83.01396	4.5
85.02960	8.9
87.00897	1.5
89.02451	19.5
95.01405	2.9
96.96014	1.3
99.00923	0.9
101.02448	20.4
109.02933	1.3
113.02475	8.5
119.03520	7.8
125.02393	0.8
133.02977	4.9
134.03754	1.6
135.04536	6.5
143.03532	1.7
149.04616	0.9
156.48392	0.7
161.02466	12.9
162.02943	0.9
163.06294	0.8
164.06992	0.8
179.03488	2.7
179.05568	1.3
189.59062	0.7
197.04532	1.2
197.12042	0.7
266.05887	0.7
267.06833	0.8
267.76672	0.7
275.20056	1.5
321.04080	0.9
359.07788	1.3
437.25552	2.5
452.98138	0.8
453.55222	0.8
455.26678	3.7
481.22632	0.8
487.34451	2.2
497.27618	100.0
498.28088	7.9
499.30493	1.1
523.12488	0.9
677.34070	25.9
678.34033	2.4
721.22443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.7
56.91834	1.3
57.60822	1.3
59.01385	100.0
60.01711	1.5
61.98838	25.7
71.01384	17.5
72.99280	2.1
73.02948	11.0
78.91890	5.3
79.64718	1.5
83.01395	11.5
85.02963	11.2
89.02462	3.8
95.01392	3.3
97.02985	2.6
99.00887	3.5
101.02465	24.0
113.02466	8.8
125.02475	4.0
133.02898	1.6
135.04478	2.9
137.79196	1.5
143.03493	4.5
161.02466	3.8
161.04520	3.1
228.73010	1.5
370.48825	1.5
398.67755	1.6
411.29129	1.8
441.30154	11.6
442.30615	1.7
453.30038	6.5
473.32773	30.0
474.32846	3.9
617.36993	22.1
618.37183	4.6
629.46234	1.8
635.38049	42.9
636.39032	9.3
660.92120	1.6
666.72662	1.8
677.39172	49.4
678.39606	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	721.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36333	0.6
59.01384	100.0
60.01731	0.9
61.98834	5.7
71.01390	10.5
71.05032	1.2
72.99352	1.0
73.02955	3.4
83.01395	1.0
85.02966	3.8
95.02680	0.7
96.96013	1.1
101.02464	3.8
110.42359	0.7
113.02496	2.8
118.48763	0.7
133.02974	1.3
135.04593	3.2
143.03506	1.3
159.03073	1.0
161.02490	2.9
161.04572	6.7
173.95114	0.8
179.03569	2.1
181.76045	0.7
197.04616	1.6
203.05652	6.7
228.67473	0.8
282.71185	0.7
423.29388	1.0
425.27136	2.3
437.27155	2.1
441.30185	9.8
453.30124	3.4
457.29727	3.5
473.32776	60.3
474.33038	7.2
509.90424	0.8
515.34161	2.3
617.37292	2.4
677.39178	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	721.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58807	1.4
59.01382	12.1
63.93949	1.6
71.01391	6.7
73.84008	1.4
81.03442	2.4
83.05049	3.2
83.11385	1.8
85.02991	1.6
89.02442	3.2
97.02947	5.6
99.00924	1.7
101.02445	5.7
104.83712	1.6
109.05902	2.6
109.06606	33.6
110.03748	2.5
113.02464	3.1
135.08195	5.2
161.09700	3.2
163.11334	21.0
181.12375	2.7
189.09158	3.0
207.10283	100.0
208.10670	3.7
223.21413	1.8
225.11369	34.5
235.08165	2.5
253.09288	12.0
277.21753	82.8
278.22028	2.5
299.15009	1.6
419.83878	1.7
443.19284	6.4
461.20328	12.8
572.54413	1.9
573.37933	1.6
721.41779	34.4
722.41785	2.5
751.91864	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	721.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79489	1.9
59.01394	15.2
65.77633	1.8
71.01390	7.2
75.81231	2.2
83.05060	4.0
85.02948	2.5
89.02474	3.1
93.85503	2.1
95.05040	1.9
97.02966	4.8
99.00925	1.9
101.02470	6.9
109.06609	27.5
113.02457	2.9
118.35688	1.8
135.08183	2.6
157.95088	2.0
163.11304	22.3
181.12328	2.3
189.09259	2.7
201.64232	1.8
207.10294	81.2
208.10612	3.5
209.11858	2.4
225.11336	35.3
235.08284	6.2
252.67995	2.0
253.09265	13.2
277.21759	100.0
278.22153	4.4
331.79300	2.2
443.19492	3.7
461.20175	9.2
721.41699	30.2
722.41632	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	721.4177
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
55.01889	0.9
57.03433	1.1
57.95470	0.6
59.01383	19.2
61.98832	1.6
71.01381	4.5
72.99297	0.8
73.02959	5.0
82.73057	0.6
83.01403	1.4
85.02959	1.9
86.48863	0.8
87.04523	0.8
89.02467	1.5
99.00863	2.0
101.02468	2.7
109.02978	0.7
110.91691	0.6
113.02471	1.6
116.92870	0.7
123.04543	0.8
123.08237	0.7
133.02965	0.8
135.04538	2.8
136.60181	0.6
161.02441	2.6
311.23807	0.8
327.23038	0.6
359.07797	0.9
387.75336	0.6
499.34427	1.7
501.35870	1.0
517.35394	4.2
559.36688	5.1
661.39807	4.1
679.40594	4.0
721.41748	100.0
722.42261	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	723.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87289	2.1
59.01387	4.8
62.71611	1.7
71.41514	2.8
72.99304	19.2
74.53694	1.9
81.03452	4.1
96.96066	2.2
99.04527	7.6
101.13351	1.9
108.02195	8.1
109.02965	73.0
110.03336	2.3
119.05030	4.5
121.02973	3.5
122.03787	2.9
123.04549	9.7
133.02939	3.1
134.03766	5.1
135.04541	29.9
136.01642	2.7
145.02960	8.6
146.03749	5.7
147.04550	24.6
149.02415	3.6
151.04018	5.0
157.02957	2.7
158.03793	4.4
159.04527	35.5
161.02444	6.1
165.05577	2.5
173.02460	5.2
179.03459	12.7
185.02444	37.9
186.03210	8.5
187.04062	2.3
188.04790	6.2
188.72800	2.2
197.04544	14.7
203.03564	4.3
203.07204	4.9
221.06125	3.2
225.05748	3.5
237.05464	3.9
237.14648	2.1
239.07153	3.7
243.06677	2.1
248.04764	6.5
249.05618	7.3
250.06288	2.5
251.03577	5.5
252.04213	3.2
253.05127	4.2
264.04138	2.7
265.05042	5.8
266.05576	4.6
267.06631	9.0
268.07346	2.4
269.08173	5.4
275.03513	2.9
276.04266	3.1
277.05118	13.5
278.05634	2.7
279.03052	15.4
280.03699	4.2
291.06412	100.0
292.03857	2.8
292.06866	4.6
293.04544	10.0
294.05258	4.2
295.06149	34.9
296.06491	3.4
301.01343	5.6
301.07486	2.0
313.07047	4.4
317.04202	5.6
321.04071	57.5
322.04324	8.2
335.05441	32.1
339.05112	28.4
339.12500	5.5
340.05310	2.3
353.06281	2.3
361.03265	9.8
379.04318	13.2
391.81204	2.0
499.10144	81.5
499.19693	21.3
500.10468	4.0
519.09314	5.6
525.08374	6.3
543.09137	45.5
544.09460	3.1
559.08893	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	723.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.3
62.15615	0.5
71.01402	0.8
71.05009	0.6
71.54718	0.4
89.02427	0.6
96.96019	0.5
101.02435	0.9
103.62769	0.6
104.19318	0.5
109.80457	0.5
133.03001	0.6
135.04546	0.7
156.38663	0.5
161.02449	0.9
187.98360	0.4
248.29929	0.5
293.75204	0.6
321.04828	0.5
355.26346	0.8
364.27579	0.6
409.31262	0.9
423.28775	0.9
439.32245	1.2
441.29965	0.6
453.30154	6.5
457.33780	0.5
483.31149	8.8
484.31168	0.7
501.32294	100.0
502.32483	9.1
513.32593	1.0
676.65094	0.6
726.32635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83695	0.2
57.03445	0.3
59.01385	3.8
64.75977	0.3
68.86237	0.3
71.01390	2.0
73.02909	0.5
75.71299	0.3
80.02671	1.0
81.03465	1.1
83.01339	0.4
83.05037	4.7
83.47446	0.2
84.02180	0.6
87.00928	0.4
89.02448	2.3
95.05016	0.6
96.56494	0.3
97.06569	0.3
98.22636	0.6
101.02452	1.9
109.06597	0.4
113.02429	1.2
119.03481	0.4
125.06097	0.6
127.85784	0.3
135.08191	0.9
138.79085	0.3
143.03525	0.3
161.02519	0.4
161.04553	0.9
162.31873	0.3
163.11310	3.7
165.12843	1.9
179.05675	0.4
181.12354	0.7
191.10797	0.9
209.11850	100.0
210.12177	3.5
211.13289	0.3
225.11586	0.3
227.12926	11.0
235.08252	1.0
253.00443	0.3
253.09300	7.6
277.21759	47.0
278.22067	2.7
445.20825	1.0
659.52197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20647	0.4
55.01866	0.4
59.01380	5.1
60.75859	0.4
65.90347	0.3
71.01394	3.1
73.02943	1.2
80.02705	0.9
81.03459	0.9
83.01391	0.5
83.05026	3.3
85.02939	0.7
87.00854	1.0
89.02447	1.9
98.21838	0.7
101.02452	3.1
110.40893	0.4
113.02451	1.4
124.01461	0.4
135.08167	0.5
145.05029	0.7
146.85049	0.4
161.04550	1.4
163.11356	2.9
165.12848	1.6
181.12433	0.6
191.10835	0.5
200.17258	0.3
202.66029	0.4
204.07762	0.4
209.11850	75.3
210.12204	2.5
216.92696	0.4
227.12904	10.9
235.08263	6.0
253.09334	8.5
254.09627	0.5
277.21759	100.0
278.22125	5.8
448.32837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.5
61.04206	0.6
63.17707	0.8
69.28503	2.7
69.28915	1.0
72.99306	1.7
84.00925	1.4
85.06748	0.7
95.58849	0.6
109.02980	1.1
113.02468	0.9
123.04608	0.7
133.02962	2.4
134.03795	0.9
135.04558	7.0
145.02927	0.8
149.06149	0.9
161.02472	8.2
177.09845	0.6
179.03537	2.8
180.86032	0.6
180.99353	0.7
185.02461	0.9
186.75621	0.7
193.36374	0.6
197.04659	1.8
204.05231	1.0
291.06647	0.8
295.06207	1.2
321.04034	1.3
343.00046	0.7
359.07355	1.3
381.05508	0.8
407.30072	1.3
501.32465	6.0
519.33344	100.0
520.33630	9.1
561.34412	1.8
681.38593	2.3
724.39386	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	725.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72857	0.2
57.03454	7.2
59.01378	2.9
71.01386	3.0
72.99308	1.1
73.02940	1.3
81.07089	0.8
83.01378	0.3
83.05038	0.5
85.02974	1.3
93.03473	0.4
94.82552	0.2
95.05025	1.8
99.08168	36.1
100.08536	0.4
100.47794	0.2
101.02462	1.6
105.03464	0.8
109.02961	2.4
109.06599	1.0
113.02473	1.4
123.04536	74.5
124.04881	1.1
127.07666	47.9
128.08003	0.9
129.05594	33.6
130.05913	0.6
135.04555	1.8
136.04927	0.3
138.03236	1.2
153.05591	42.3
154.01433	0.2
154.05894	0.8
159.02992	0.5
159.04555	0.4
160.58873	0.3
161.02489	0.4
161.04584	4.1
171.06650	10.3
179.03496	0.5
185.02457	1.1
186.03204	0.3
189.07715	3.2
197.04652	0.7
207.06805	0.3
209.94270	0.3
249.05556	0.3
251.03622	0.4
271.29858	0.3
277.05023	0.5
279.03049	0.9
280.03763	0.5
285.09830	15.2
293.04581	0.8
295.06284	1.2
314.15042	0.3
315.16068	0.6
321.04092	3.2
322.04410	0.6
323.04935	0.3
339.05121	1.8
340.05472	0.4
439.16077	0.6
457.17197	100.0
458.17551	6.5
503.33871	1.1
519.09485	0.3
681.28070	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	725.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96415	1.2
51.99141	1.2
59.01385	75.8
64.55813	1.0
69.23740	2.8
69.24154	3.7
71.01387	43.9
72.99306	2.0
73.02967	2.9
73.85797	1.3
79.05521	1.2
80.79244	1.1
83.01395	2.3
85.02958	8.0
87.00880	2.6
89.02453	40.1
95.01382	2.4
99.04536	4.1
99.33990	1.1
101.02454	21.9
107.05009	2.0
109.02936	1.6
113.02460	12.3
119.03505	16.6
120.05853	1.2
123.04474	1.6
131.03473	1.9
133.05060	1.5
135.04523	4.2
143.03580	2.1
151.06139	17.7
161.02477	7.0
161.04510	2.5
161.09676	1.6
161.13353	12.7
169.10136	1.1
169.94498	1.5
175.06094	2.7
175.39316	1.4
179.05653	7.7
185.13330	1.6
187.11307	24.5
188.11703	1.6
205.12340	14.6
209.86807	1.1
219.14049	1.3
229.12315	3.3
231.10349	2.4
247.13354	2.8
249.11308	7.4
256.99182	1.2
295.10376	7.0
298.61304	1.4
313.07602	1.6
313.11383	26.0
359.07861	1.5
411.16736	1.3
501.23355	3.5
532.83838	1.4
545.22461	100.0
546.22998	7.1
725.28735	75.1
726.28876	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	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74896	0.2
52.94487	0.2
56.02097	0.2
59.01384	32.7
61.55731	0.3
64.56022	0.3
71.01388	0.7
71.05041	0.6
77.49194	0.3
101.02457	0.6
109.02985	0.3
109.06104	0.2
113.02489	0.4
119.03514	0.4
130.12065	0.3
132.01221	0.2
133.02957	0.4
135.04573	0.8
161.02464	1.9
179.03508	0.3
197.04501	0.4
359.07800	0.7
387.29208	0.3
409.31052	0.3
421.31256	0.4
439.32803	0.3
443.31793	0.8
453.30038	2.5
458.01373	0.3
459.34641	0.6
473.32916	0.3
485.32809	7.6
486.32916	1.2
503.33832	100.0
504.26871	0.5
504.34192	7.6
512.02264	0.3
545.34729	0.7
665.39252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78582	0.3
59.01385	36.3
71.01388	1.3
72.99318	1.5
89.02454	0.6
94.82797	0.4
96.95980	0.4
98.21826	0.7
101.02437	0.9
107.05059	0.5
109.02952	0.8
113.02444	0.8
119.03529	0.4
126.03626	0.3
133.02945	1.2
135.04529	3.1
136.04837	0.5
161.02467	4.8
162.02815	0.5
179.03500	1.5
180.03908	0.3
197.04559	2.0
200.92104	0.3
209.11693	0.4
262.22684	0.3
272.15726	0.3
277.05035	0.3
279.02972	0.3
281.27173	0.3
295.05981	0.7
321.03995	1.2
339.05115	0.4
359.07684	1.4
439.32364	0.5
441.33740	0.8
443.31741	0.7
445.44232	0.4
455.25070	0.4
459.34808	1.6
485.32870	8.7
486.33054	0.8
488.72974	0.3
503.33838	100.0
504.34195	10.7
545.34918	1.2
621.34668	0.4
665.39008	4.1
666.38727	0.6
725.40387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96988	1.2
59.01386	20.0
61.98832	7.6
71.01389	8.3
71.18434	1.4
71.43265	1.5
72.99306	3.5
73.02961	1.3
85.02952	2.9
88.01186	1.5
89.02460	5.9
96.96021	2.3
101.02462	6.8
113.02453	3.7
119.03500	2.3
127.81265	1.2
133.02989	4.5
135.04544	7.7
136.05264	4.7
149.06059	1.6
161.02457	9.1
162.02725	1.7
164.38730	1.2
179.03496	3.7
196.87019	1.3
197.92728	1.3
209.11880	1.5
214.15349	1.4
232.74213	1.3
276.08221	1.8
320.48752	1.4
336.32312	1.6
437.30298	2.0
453.30139	4.0
455.31625	21.4
456.31906	2.7
485.32751	2.4
488.96478	1.6
503.33807	23.7
504.33942	3.1
584.27435	1.6
665.39197	100.0
666.39307	17.5
681.37933	3.8
683.31659	2.2
725.34003	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	725.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	32.3
60.99321	0.4
61.91382	0.2
61.98828	0.4
69.63306	0.3
71.01381	0.8
71.05019	0.8
72.99321	1.7
73.02943	0.3
85.02982	0.3
88.98829	1.7
89.02448	0.4
96.96022	0.5
101.02456	1.0
109.02972	0.8
111.73267	0.2
113.02471	0.3
117.03477	0.9
119.03500	0.5
119.05022	0.3
123.04538	0.6
133.02960	2.0
134.03740	0.5
135.04552	2.9
136.04852	0.3
137.02460	0.3
145.02956	2.4
146.03372	0.3
161.02470	5.7
161.04530	0.5
162.02794	0.3
164.71353	0.2
166.02727	0.4
167.81316	0.3
177.56131	0.2
179.03560	1.4
180.03719	0.3
181.05090	0.3
188.52893	0.3
197.04524	1.2
267.06595	0.3
307.08240	0.9
321.03900	0.7
359.07819	1.4
360.08502	0.4
377.28430	0.3
403.14059	0.6
437.29999	0.3
443.31699	0.6
453.30167	0.3
459.35019	0.9
485.32779	8.4
486.33173	0.7
503.33853	100.0
504.34158	9.1
545.34869	0.8
665.39075	0.6
725.41870	0.6
726.40887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49008	0.2
57.03444	0.2
59.01385	33.1
60.01706	0.3
71.01410	0.6
71.05035	0.6
85.30333	0.1
88.55350	0.1
89.02466	0.5
98.21800	0.3
98.37691	0.1
101.02445	0.8
104.07977	0.2
113.02451	0.3
115.97173	0.2
119.03527	0.6
133.02907	0.3
135.04544	0.6
142.16364	0.2
151.00722	0.2
161.02484	1.2
175.04185	0.2
179.03502	0.3
190.60381	0.1
229.26637	0.2
255.07260	0.2
355.26431	0.2
359.07581	0.4
367.26740	0.2
377.28406	0.2
379.29770	0.2
387.28903	0.2
391.29816	0.2
407.29828	0.2
409.30896	0.4
419.29373	0.2
421.31067	0.5
423.29245	0.3
425.30676	0.2
435.29214	0.4
439.32254	0.3
443.31830	0.6
453.30109	2.4
454.30579	0.4
459.34729	0.3
471.31332	0.2
485.32782	7.7
486.33295	0.9
499.12802	0.2
503.33832	100.0
504.34143	10.5
545.34827	0.8
614.52100	0.2
665.39563	0.9
725.41516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31069	0.3
56.22869	0.3
58.75555	0.4
59.01387	21.9
61.98837	1.7
71.01376	1.1
71.43382	0.3
72.99313	1.0
73.02945	0.4
75.00874	1.2
77.47902	0.3
85.02969	0.6
96.96025	1.1
101.02458	1.0
113.02480	1.6
131.51985	0.3
133.02954	0.9
135.04556	2.2
151.03960	0.4
161.02475	2.8
161.04547	0.7
163.04034	0.4
179.03519	1.1
197.04640	0.5
239.39359	0.3
275.29111	0.4
317.21252	0.5
359.07822	0.5
369.06207	0.4
377.28125	0.4
389.09027	0.3
407.29843	0.5
455.31769	0.9
467.31586	0.7
503.33847	100.0
504.34143	12.3
504.41547	0.7
517.35962	0.4
535.31415	1.2
545.34741	3.8
546.35455	0.6
553.32007	0.7
564.11584	0.6
595.33313	0.5
665.39105	1.2
666.40002	0.5
725.41058	0.6
747.20898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
60.00475	0.4
61.98839	5.1
66.28543	0.4
69.52276	1.8
71.01376	0.5
72.99314	7.4
99.04559	0.4
105.03495	0.5
107.05027	0.8
109.02942	0.7
117.03502	0.5
123.04539	0.5
132.02206	1.5
133.02974	33.4
133.45201	0.4
134.03815	2.6
135.04544	60.8
136.04881	2.0
137.02463	0.4
147.01280	0.4
161.02464	100.0
162.02831	2.9
178.88315	0.4
179.03519	48.3
180.03885	1.7
194.06070	0.5
197.04584	0.8
207.06955	1.1
208.07690	1.6
209.04877	1.1
211.06412	0.4
221.04771	0.5
223.06401	0.8
224.07146	2.1
226.05125	1.6
234.05640	1.1
235.06421	4.6
236.07198	6.5
237.07915	0.6
238.05020	2.0
239.05981	2.2
240.06665	2.0
241.07372	0.9
242.08171	0.6
250.05110	4.8
251.05869	7.8
252.06615	7.1
253.07339	0.8
254.04477	0.6
254.08240	4.4
256.06161	1.3
262.05084	1.7
263.05905	9.9
264.06564	3.7
267.05493	0.5
268.06192	3.3
269.06992	1.2
270.04099	0.7
270.07578	0.8
279.05536	0.8
280.06122	3.1
281.06982	1.4
282.07742	2.8
284.05701	1.2
284.08945	0.6
285.89310	0.4
288.05167	0.7
295.04987	1.4
296.05695	5.2
297.06573	0.5
298.07236	16.3
299.07639	1.0
307.04898	16.4
308.05646	2.3
310.07339	1.1
312.05042	0.6
313.06027	3.6
314.06665	1.5
315.07501	0.6
316.08286	8.7
321.04022	0.6
323.04388	2.2
324.05188	2.3
325.05948	9.4
326.06647	3.2
328.08322	2.8
340.04703	0.6
340.08270	2.8
341.05261	0.7
342.06421	1.8
343.06836	2.9
352.04657	4.8
358.05380	0.7
358.09375	6.7
359.08932	0.6
370.05762	1.4
384.07446	1.8
488.10013	0.4
490.11252	1.5
503.33737	1.0
504.34024	0.5
520.12531	11.6
521.13300	0.6
524.40894	0.5
532.08899	7.1
533.09338	0.8
546.10431	1.8
564.11530	76.2
565.11761	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	727.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.6
60.01712	0.6
60.40886	0.4
61.22602	0.4
61.98830	1.3
69.24262	2.5
70.17214	0.4
71.01386	0.9
72.99316	11.9
85.02985	0.5
92.72643	0.3
101.02429	0.5
105.03499	1.0
107.05056	1.7
108.02206	0.6
109.02972	1.5
110.35675	0.4
117.03477	0.6
123.04536	7.6
125.22060	0.4
132.02185	1.2
133.02974	24.2
134.03775	5.0
135.04541	80.4
136.04872	1.7
141.15419	0.4
147.04578	0.8
149.02480	0.5
149.06136	0.7
151.04024	1.0
153.05608	1.8
161.02463	100.0
162.02800	3.1
163.04010	0.7
171.95981	0.5
175.00368	0.6
175.04095	0.5
177.01920	0.8
179.03517	53.8
180.03851	1.8
190.02754	1.2
191.03600	0.5
193.05026	0.5
197.04576	16.1
198.04979	0.7
205.05023	1.3
252.26508	0.5
253.05045	0.5
267.06586	0.5
307.06210	0.6
359.07755	38.1
360.07916	2.4
367.10266	1.2
373.09409	0.7
389.08746	0.7
454.30823	0.6
457.55176	0.5
485.32745	0.6
486.33261	1.8
503.33786	5.5
504.34155	17.6
505.34494	5.7
547.14502	3.7
547.22247	0.9
548.14740	0.5
727.18750	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	727.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.0
69.26399	2.0
69.86868	0.3
72.99309	6.4
78.31223	0.3
82.55714	0.3
82.76295	0.3
89.04015	0.4
91.05521	0.6
98.21840	0.7
99.22889	0.4
100.36712	0.4
107.05042	1.9
108.02181	0.5
108.50294	0.4
109.02966	1.8
117.03480	0.6
123.04535	3.6
132.02173	1.2
133.02972	11.1
134.03766	6.7
135.04538	100.0
136.04886	1.9
145.02985	0.7
149.02480	0.6
150.03242	0.6
151.04042	1.3
159.04477	0.5
160.01686	0.7
161.02458	60.1
162.02846	1.8
163.04132	0.5
164.04730	0.5
175.04013	1.3
176.01123	0.6
177.01924	0.4
179.03511	46.2
180.03802	1.2
185.02454	0.5
190.02768	2.0
191.03545	2.0
193.05074	1.5
197.04570	9.9
198.04878	0.5
205.05156	2.4
209.04477	0.5
222.55923	0.4
223.05966	0.6
266.00577	0.4
266.05881	0.4
292.03751	0.5
293.04672	0.4
307.02814	0.5
307.06235	1.2
309.07648	0.7
337.09210	0.7
341.08932	0.9
353.08911	0.7
359.07727	28.8
360.08044	1.6
367.10318	3.0
373.09195	0.9
416.83197	0.4
504.34271	0.7
505.34891	0.5
521.13007	3.4
535.13623	0.4
547.14655	9.3
548.13745	0.4
565.15796	3.2
727.18768	7.6
728.19403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98801	0.6
57.03427	0.7
58.90134	0.5
59.01385	26.3
59.88086	0.5
71.01023	1.0
71.01391	14.4
72.99323	2.9
73.02943	1.4
81.03487	1.0
83.01398	0.8
85.02962	4.5
88.61440	0.5
89.02451	5.1
93.03446	0.8
95.01389	1.5
95.05044	0.7
99.00890	0.7
100.60489	0.5
101.02453	5.6
108.02188	46.2
109.02969	35.7
113.02454	3.1
119.03500	0.9
121.02946	2.3
121.06648	0.6
123.04545	3.1
133.02969	4.9
134.03770	1.3
135.00841	1.1
135.04543	7.5
136.04855	0.8
137.02441	1.6
145.02975	0.7
147.04512	0.9
150.03246	0.6
151.03998	2.9
152.01167	56.2
153.01955	21.3
157.72639	0.6
159.04561	0.9
160.01689	1.6
161.01097	0.9
161.02454	14.9
161.04543	1.2
161.13341	1.8
162.02766	2.4
163.03978	2.2
165.01930	2.3
175.03967	1.7
177.01930	1.6
178.02705	0.5
179.03517	3.7
180.03642	0.7
185.02444	1.7
187.11275	3.3
193.05029	0.9
197.04565	3.2
198.04906	0.8
205.12408	1.0
262.18082	0.5
263.03210	0.6
265.05069	0.9
267.06650	0.8
277.04987	0.7
292.03790	1.1
293.04495	1.3
294.05316	0.7
295.06088	1.6
297.14886	0.6
307.06058	1.6
309.07648	1.3
315.07278	15.6
316.07639	1.1
321.04095	1.0
339.05029	1.5
353.06531	1.3
357.06201	1.8
359.07724	6.0
360.08041	2.2
399.49219	0.6
417.08868	0.5
450.28711	0.6
503.19324	7.5
519.09290	1.1
527.58765	0.6
547.18188	11.0
646.30865	0.5
665.22736	0.6
727.24597	100.0
728.24915	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	727.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41392	1.5
57.02090	1.7
59.01385	54.7
69.20440	10.9
72.99310	2.2
80.05069	5.9
82.15942	1.6
86.08121	1.8
104.05121	1.6
106.06655	10.6
109.02986	1.8
120.08192	3.2
121.05377	2.2
122.06127	21.0
130.06731	3.1
133.03004	2.4
134.06142	42.8
135.04523	6.5
135.06528	2.6
146.06111	3.2
148.04001	2.2
152.07195	3.7
160.04117	2.7
160.06409	10.3
161.02446	8.6
161.04736	2.0
162.02875	1.6
174.05614	5.3
179.03406	3.7
182.09642	1.8
186.05576	2.0
190.05070	2.5
211.08902	2.7
213.10349	38.9
223.08627	3.5
225.10257	5.4
226.11121	4.3
227.11963	5.6
229.08302	1.6
239.11874	28.1
241.13521	21.1
249.10429	1.9
251.11922	8.0
263.08145	2.6
265.09946	2.7
267.11353	4.0
277.09863	10.5
278.10611	3.2
279.11389	3.1
285.12460	81.6
286.12805	4.3
293.09726	2.8
293.13040	7.6
295.10904	6.0
305.09293	8.1
306.10022	2.6
307.10977	4.5
315.14349	1.9
316.14529	2.0
321.04092	3.3
328.10867	5.8
337.11917	4.1
340.14725	3.2
343.13245	5.0
344.14120	3.7
355.12997	7.8
356.13913	6.5
356.17700	2.0
357.14844	5.5
358.15656	25.7
359.15933	2.6
365.11459	10.2
367.12836	3.2
369.14716	4.1
370.11591	2.3
370.15652	3.6
372.17032	2.6
382.15747	2.4
384.13464	4.5
385.14166	2.9
397.13959	8.0
398.14780	3.4
399.15543	2.1
400.16714	19.8
412.16592	3.7
476.18790	2.7
479.25058	1.9
490.20731	2.0
491.20605	8.2
505.22641	6.0
506.23236	2.9
530.84595	2.0
539.26666	5.0
547.23572	25.2
548.23938	4.5
565.24609	22.6
566.24921	2.5
583.26208	3.7
585.57465	1.8
591.22430	17.7
592.22809	3.7
607.25757	90.3
608.25995	13.7
609.23657	4.0
610.23950	10.1
623.25293	2.9
639.27875	3.4
651.24683	100.0
652.25012	17.6
683.27417	31.7
684.27368	5.0
754.74817	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36488	1.2
59.01383	53.0
62.75710	1.6
70.73233	2.0
80.05071	6.5
94.06626	2.5
106.06618	7.5
120.04556	2.1
120.08199	2.9
121.05332	3.0
122.06142	21.2
134.06139	42.4
135.06572	2.0
146.06149	2.9
152.07259	3.1
160.04062	2.6
160.06439	12.1
174.05605	5.6
190.05066	3.7
211.08807	2.6
213.10347	50.6
214.10620	2.7
223.08749	2.5
225.10287	4.2
226.11096	4.8
227.11868	4.5
239.11909	24.1
241.13509	27.0
242.13785	1.6
249.10420	2.5
251.11902	6.6
263.08209	2.4
267.11368	3.6
277.09857	12.5
278.10461	4.0
279.11429	3.1
285.12469	98.2
286.12909	7.2
287.14175	2.0
293.09518	2.7
293.12909	13.2
295.10883	5.7
305.09317	6.9
306.09909	1.5
307.10904	4.8
316.14511	2.1
327.10391	1.8
328.10782	2.7
337.11902	6.1
340.14493	2.3
342.12442	3.7
343.13174	4.2
344.13995	2.6
355.13068	6.5
356.13831	2.2
357.14960	3.4
358.15604	25.6
359.16122	3.4
365.11432	19.2
366.12021	3.0
367.13196	2.5
369.14600	2.4
370.15616	3.2
384.13464	4.3
396.13065	2.4
397.14209	8.8
400.16730	17.1
401.17218	2.0
412.16721	5.0
490.19638	2.5
491.20718	3.0
505.22311	4.4
506.23068	2.1
539.26361	2.6
547.23486	29.5
548.24011	4.2
565.24561	23.3
566.24927	4.3
591.22681	16.8
591.31561	2.4
592.22272	3.0
607.25616	100.0
608.25952	20.0
609.23242	1.6
610.24402	3.1
623.25531	3.6
651.24591	98.7
652.24866	20.7
683.27362	14.0
684.27203	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	727.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53692	0.7
55.01875	0.8
59.01126	1.1
59.01389	17.4
64.78362	0.8
64.95158	0.9
71.01401	6.1
72.99305	2.8
73.02940	3.7
75.72369	0.8
83.01392	1.9
85.02947	2.5
89.02442	2.0
90.64307	0.9
99.04546	1.3
101.02435	4.2
113.02500	1.7
123.04523	1.2
133.02951	4.4
134.03690	1.0
135.04559	4.9
161.02470	13.5
161.05934	0.9
177.01955	1.2
179.03447	3.9
197.04477	1.1
216.11528	1.0
265.05103	1.1
285.18509	1.0
299.20169	11.8
300.20697	1.0
315.19699	1.3
317.21243	34.7
318.21503	1.8
359.07684	3.4
359.22375	1.3
401.23624	1.2
461.25351	8.5
479.26544	100.0
480.26834	5.1
521.27606	42.1
522.28003	1.6
623.30920	1.2
651.23871	1.1
683.32898	72.2
684.33472	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	728.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76766	0.2
51.34385	0.2
52.78921	0.2
54.25211	0.2
59.01383	0.8
61.98835	100.0
62.98535	0.2
67.81787	0.2
70.82917	0.3
71.01381	0.4
82.35239	0.2
87.00948	0.2
89.02482	0.3
95.83531	0.2
117.59608	0.2
139.02081	0.2
163.48961	0.2
201.02559	0.3
244.29755	0.2
283.35397	0.2
342.11429	0.2
383.11877	0.3
563.44281	0.2
608.12646	0.3
665.22052	0.5
668.23126	0.4
728.21252	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66583	0.1
59.01382	0.2
61.98835	100.0
69.54269	0.4
72.71654	0.1
96.20396	0.1
97.96275	0.1
98.22586	0.3
179.05705	0.2
181.89513	0.1
184.37944	0.1
196.85027	0.1
246.67233	0.1
259.46295	0.1
274.14352	0.1
310.65973	0.1
328.27179	0.1
383.12302	0.2
508.25458	0.1
626.16248	0.1
628.35577	0.2
665.21790	0.5
728.21234	1.5
728.55341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.1
60.01721	0.3
61.98835	100.0
72.99325	0.3
87.36169	0.2
89.04004	0.2
93.03479	0.2
95.05048	0.7
95.14784	0.2
97.25224	0.2
105.03489	0.8
109.02979	0.8
123.04513	0.4
133.02963	5.8
135.04578	0.8
137.18138	0.2
138.73642	0.2
151.04066	0.3
161.02472	1.4
177.01945	3.2
177.96794	0.2
179.03604	0.6
180.04074	0.2
197.04628	0.4
267.06726	0.4
294.05374	0.2
308.06686	0.2
309.07724	0.2
359.08008	0.3
360.07892	0.2
487.33618	0.3
488.33600	0.3
503.34241	0.7
504.34250	3.1
505.34561	3.5
506.34738	4.3
512.46051	0.2
570.48260	0.2
661.07733	0.2
733.07397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	3.0
63.03856	2.5
69.81670	4.2
69.82060	5.2
72.99323	17.8
77.03972	2.1
77.14772	1.9
77.82152	2.2
78.28436	2.2
79.80591	2.0
81.03464	2.9
85.33323	1.9
93.03474	3.9
95.05035	3.7
105.03476	8.4
108.02203	5.5
109.02966	100.0
110.03299	2.4
117.51270	2.1
121.02980	10.1
123.04533	16.9
133.02982	37.8
134.03741	6.9
135.04532	45.5
136.04015	4.7
136.04924	4.7
137.02498	4.4
138.37460	2.3
145.02980	9.4
146.03778	3.1
147.04510	12.9
149.02484	10.8
150.03247	24.7
151.04021	24.2
158.03821	4.1
159.04509	17.4
161.02451	34.5
163.04126	2.8
166.05147	3.0
173.02448	8.9
174.03242	3.3
175.04016	5.9
177.01994	15.2
179.03534	17.4
181.06607	2.6
183.08026	3.1
184.05350	3.3
185.02467	42.8
186.03271	7.5
190.02856	2.3
191.03539	3.5
193.06691	6.9
196.05376	5.2
197.04579	6.1
197.06105	2.9
198.03297	2.1
199.07574	2.5
201.01756	5.4
208.05270	3.9
209.06122	26.7
210.06813	8.1
211.04164	3.4
211.07654	44.3
212.04811	3.8
213.01924	2.9
213.05603	4.3
219.04539	7.1
220.05219	3.6
221.06122	13.0
224.04803	7.1
225.05627	7.9
227.07083	5.6
228.04358	5.0
229.05170	3.9
231.06560	2.7
235.04037	6.5
236.04774	6.1
237.05611	34.9
238.06332	4.7
239.03395	5.0
239.07170	23.6
240.04352	7.3
241.05211	3.3
243.06734	3.3
247.04002	3.8
248.04839	6.7
249.05559	13.3
250.06381	5.9
251.03568	6.7
252.04402	4.0
253.05087	18.1
254.05885	7.4
255.06656	67.7
256.03860	4.0
256.06891	3.6
257.04572	5.4
257.08112	3.5
263.03583	9.8
264.04358	3.2
265.05051	32.4
266.05746	5.9
267.06686	34.3
269.04590	9.6
269.08224	8.6
271.06177	9.7
275.03250	3.8
276.04211	4.2
277.05109	15.1
279.02930	10.6
280.03760	9.2
281.04590	19.6
283.06155	30.3
285.07568	4.4
291.03070	7.0
291.06418	2.3
293.04645	35.6
295.06149	50.1
296.06488	3.3
299.05606	6.0
301.07217	6.4
309.04083	35.2
311.05640	25.5
313.07056	3.3
315.05243	2.7
319.02448	7.5
321.04074	51.3
325.03589	9.1
327.05121	9.9
329.06821	2.9
329.77518	2.3
337.03662	2.6
339.05109	69.2
340.05386	6.2
345.06235	41.0
346.06805	2.7
353.02945	2.7
359.07611	9.3
361.02747	3.0
363.07324	16.2
371.03915	4.7
381.06097	4.2
389.05170	34.9
389.10260	12.7
438.37158	2.4
445.09750	2.8
519.09424	21.3
520.09949	3.6
530.79681	2.5
531.99054	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	729.111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93327	2.2
56.76717	1.9
57.02139	1.9
72.99312	11.1
77.03981	2.0
81.03425	2.2
93.03459	4.0
95.01387	3.6
95.05024	3.7
101.69231	2.2
105.03467	6.1
108.02176	4.6
109.02958	70.2
110.03268	2.4
119.05104	2.6
121.02954	12.7
123.00926	2.7
123.04538	13.3
125.02450	4.4
126.45931	2.4
133.02979	18.0
134.03580	2.3
135.04546	15.5
137.02428	5.4
145.02965	5.9
147.04568	4.9
149.02441	18.6
150.03230	4.5
151.04019	15.5
159.04515	10.7
163.04016	4.7
171.16945	2.3
173.02425	7.1
175.04045	3.1
177.01927	6.7
179.03514	5.0
180.61346	2.4
185.02434	36.2
186.03183	3.6
191.05045	5.7
193.06566	7.1
197.04527	5.5
197.06177	2.9
201.01959	2.8
207.04489	6.3
208.05273	2.7
209.06061	11.5
219.04524	6.1
220.05295	2.5
221.06073	12.8
223.04018	5.8
223.07661	2.6
224.04800	4.8
225.05573	5.4
235.04004	16.4
236.04727	2.3
237.05563	22.0
238.06181	2.6
239.07172	10.8
247.04050	12.5
248.04724	9.9
249.05614	14.3
250.02296	2.3
250.06279	8.4
251.03470	13.4
252.04175	4.0
253.04947	2.6
255.06491	2.7
263.03549	26.9
264.04086	7.1
265.05054	44.2
266.05743	5.0
267.06607	42.3
269.08136	3.5
275.03503	4.5
276.04059	2.5
277.05002	8.4
279.02853	7.0
280.03833	3.2
281.04538	3.4
283.06146	4.7
291.03122	21.4
291.06131	4.6
292.03662	4.0
293.04575	100.0
293.07974	4.8
295.06192	24.6
307.06189	2.7
309.03967	22.5
311.05670	37.6
317.04834	2.5
319.02490	48.3
321.04050	45.5
322.04578	5.2
337.03635	10.7
339.05017	21.1
351.04971	6.4
355.04520	4.2
356.94879	2.2
391.81332	2.5
445.09592	4.6
489.08493	4.4
519.08740	4.3
642.66461	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	729.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.8
69.17335	0.5
71.01380	0.1
72.99315	16.8
73.02946	0.3
73.99671	0.1
77.03973	0.1
78.36025	0.1
85.02946	0.1
88.36921	0.1
89.03968	0.2
91.05540	0.2
93.03421	0.1
96.85164	0.1
101.02420	0.2
105.03481	0.3
107.05032	0.4
109.02957	0.8
115.01878	0.1
122.03742	0.2
123.04538	6.8
124.04858	0.1
132.02200	1.0
133.02969	19.8
134.03677	0.5
135.04541	17.4
136.04810	0.3
137.02351	0.1
149.02469	0.1
151.04045	0.5
161.02458	100.0
162.02791	2.2
179.03513	15.0
180.03824	0.4
181.81221	0.1
197.04565	22.3
198.04895	0.6
201.72034	0.1
223.02370	0.5
233.14961	0.1
241.05179	0.1
244.64546	0.1
267.06757	0.1
279.08572	0.2
280.08878	0.2
293.04565	0.3
309.04083	0.1
311.05621	0.1
321.03909	0.2
339.04877	0.1
359.07739	36.3
360.08121	1.9
564.95563	0.1
729.14893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92995	0.3
55.67781	0.3
58.63975	0.3
59.01386	7.6
67.50851	0.3
69.36728	1.7
69.68034	0.3
71.01382	0.9
72.99316	15.0
80.75822	0.3
85.02946	0.4
89.02428	0.4
101.02440	0.7
105.03448	0.6
109.02974	1.8
113.02455	1.0
114.15681	0.3
123.04536	6.2
132.02185	0.9
133.02969	18.9
134.03725	1.0
135.04539	16.9
136.04881	0.5
149.02495	0.4
151.04008	0.8
159.04506	0.3
161.02463	100.0
162.02820	2.3
177.01990	0.5
179.03506	14.2
180.03787	0.4
197.04565	22.2
198.04832	0.4
220.05420	0.4
221.06099	0.5
223.02550	0.5
230.44316	0.3
235.04199	0.5
237.05624	0.8
263.03464	0.5
265.05017	1.3
267.06610	1.2
291.03165	0.6
293.04565	2.9
295.06046	0.8
309.04166	0.6
311.05630	1.2
319.02493	1.4
321.04132	0.9
359.07755	37.6
360.08102	2.2
527.80408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53578	0.6
57.03453	100.0
58.03769	0.6
59.01384	97.3
61.98833	3.8
63.34040	0.8
69.11113	0.6
71.01389	15.5
71.01785	0.7
72.99313	3.8
73.02952	6.8
78.95884	0.9
81.03458	1.6
83.01386	2.6
85.02952	5.0
87.00910	0.8
89.02457	7.8
89.60737	0.6
95.01383	1.3
99.00836	1.0
99.04529	76.0
100.04848	0.7
101.02457	35.5
107.05031	0.7
108.02162	0.8
109.02956	4.8
113.01724	0.8
113.02455	12.3
119.03491	3.3
121.02914	1.7
122.03719	1.2
123.04470	2.0
124.01623	1.0
125.02467	8.3
131.03468	0.9
132.02144	1.2
133.02980	6.3
134.03621	2.1
135.03635	0.7
135.04538	10.3
136.01604	2.1
137.02402	1.0
143.03514	3.1
147.04453	1.2
149.02457	5.5
149.04456	1.3
150.03244	7.7
151.04033	3.0
153.05525	1.0
160.01590	2.5
161.02509	14.8
161.04562	34.5
162.03091	4.2
162.04524	1.1
163.03914	2.2
164.04694	1.9
165.04369	0.7
165.05592	9.7
166.02628	0.8
172.85841	0.6
175.03905	2.9
177.01956	1.3
177.05586	13.2
178.02489	0.6
179.03555	5.3
179.05569	4.4
181.04993	1.2
190.02597	1.4
191.03210	1.0
193.01392	0.9
193.04962	1.4
195.05064	0.7
195.06638	10.2
197.04619	3.5
197.06056	1.0
203.05508	0.7
205.04961	0.9
221.06413	0.9
237.07712	8.7
239.07097	0.7
257.11511	0.9
265.04736	1.0
267.06363	1.2
269.08087	1.2
270.08691	1.8
277.05139	0.7
277.10873	3.4
279.02621	0.8
284.06787	0.9
285.11053	2.7
286.08179	1.0
293.04291	0.8
295.06027	0.7
298.07993	1.6
299.08844	2.3
311.08841	1.3
313.10434	1.7
314.07471	2.9
321.03787	1.6
325.10556	1.3
326.07660	1.2
326.11304	1.4
329.10300	6.4
339.04495	0.8
341.10315	8.8
342.10507	0.7
344.12640	11.1
356.12540	4.3
358.08960	0.7
359.07303	3.6
359.14987	25.9
360.07822	0.8
360.15002	1.0
371.14996	21.5
372.14957	1.3
389.16025	0.7
507.19434	1.3
517.18768	3.9
537.21381	11.8
538.20605	0.9
549.12482	0.7
565.29041	2.6
583.31372	10.6
585.23431	13.3
586.22388	1.6
601.32410	4.4
625.32404	3.0
627.24609	11.5
628.22998	1.6
643.33319	6.0
667.27716	7.9
668.27240	1.0
729.26312	4.1
730.27606	0.8
757.61798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	58.0
72.99322	3.5
80.05103	1.7
94.06634	2.4
98.22631	4.0
105.05836	2.3
106.06638	11.7
107.03786	5.6
109.03001	2.4
109.68369	1.6
120.08213	28.0
122.06139	57.8
133.03035	4.3
134.03839	2.3
134.06143	59.6
135.04559	5.7
136.07704	2.6
152.07181	6.8
160.04143	2.3
161.02452	8.8
174.05626	2.4
179.03482	2.5
190.05051	2.4
194.08266	2.1
197.04576	2.0
200.07262	1.9
202.05038	1.8
220.30760	1.8
221.10858	2.0
222.08081	2.3
223.08815	7.0
225.10353	2.4
235.08739	2.5
236.09673	5.0
237.10320	7.8
238.11011	3.0
239.11942	7.3
245.63931	2.3
249.10320	7.6
250.10986	2.0
251.08258	3.8
251.11943	16.3
261.10294	2.3
263.08313	7.6
263.11685	3.3
264.09033	12.3
265.09818	6.8
265.13177	1.9
276.09000	3.9
277.09885	12.2
278.10571	7.0
279.11432	37.8
280.11917	4.0
283.11172	1.9
290.10733	2.0
291.11435	17.5
292.12192	6.2
295.11023	3.7
305.09348	5.3
305.12811	4.1
307.10989	2.9
311.13797	1.9
321.04126	5.4
322.09210	2.1
323.10382	5.5
337.11826	2.9
342.16415	2.1
355.12939	3.4
360.17352	1.9
363.64380	1.9
365.11584	3.2
369.14832	2.5
370.15649	4.8
371.16171	4.1
384.17386	11.8
385.17795	3.6
386.18909	11.4
398.14667	2.5
399.19873	2.9
402.17892	3.4
411.15768	2.5
411.65753	1.7
412.16699	4.4
413.17282	2.1
426.18341	13.8
427.19077	2.4
430.17755	6.5
431.18292	2.7
444.19165	13.2
454.56149	1.9
456.15619	2.4
457.22928	1.9
471.18018	5.3
486.20361	12.8
487.21237	2.8
490.19864	7.5
502.19818	4.6
530.19427	38.1
531.20074	14.9
549.25336	8.6
562.22034	63.6
563.22443	7.0
567.26190	4.7
593.23834	17.4
609.27264	31.0
610.27100	2.5
625.27246	3.5
653.26208	100.0
654.26874	13.8
685.28864	37.1
686.28851	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	729.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13954	2.6
55.08413	2.5
59.01381	37.1
72.99319	19.1
98.22630	6.7
106.06626	4.3
108.02227	3.0
109.02953	13.6
120.08237	22.7
122.06136	32.6
123.04540	8.2
133.02994	23.0
134.03766	8.2
134.06136	40.2
135.04555	50.1
136.04915	2.9
137.02470	4.7
149.02470	6.4
151.04022	8.8
152.07176	5.3
156.61000	2.7
161.02463	53.7
162.02818	6.5
178.02707	4.3
179.03502	32.1
180.03796	4.5
180.40671	2.7
185.02444	8.3
190.05115	2.8
197.04613	15.9
198.05106	2.9
221.10806	3.1
223.08867	3.9
228.44901	2.7
237.10258	3.8
238.77956	3.1
239.11938	6.3
249.05722	3.5
249.10367	6.7
251.11861	9.1
254.26251	3.1
263.08383	4.2
263.11932	3.0
264.08923	6.0
265.05151	5.0
265.09766	5.4
267.06610	2.9
276.09021	3.6
277.09772	12.3
278.10583	4.1
279.02985	5.1
279.11316	18.8
280.12305	4.0
291.11496	11.6
292.12167	4.2
293.04517	7.9
295.06070	10.0
305.09079	3.0
305.13113	2.7
307.10757	4.1
319.22601	6.5
321.04074	21.5
322.04401	3.4
323.10379	3.6
335.05548	4.0
339.05151	10.3
359.07526	5.8
370.15500	4.8
371.16565	3.0
381.05743	3.5
384.17157	10.1
386.18607	7.3
420.91107	2.9
426.18207	6.1
430.18039	3.5
444.18982	6.1
467.59619	3.8
468.10193	5.3
471.17828	4.8
480.26492	4.2
486.20398	11.8
490.20187	3.8
513.07983	6.2
530.19421	18.2
531.19910	15.7
549.24817	7.8
562.22076	17.3
563.22528	3.9
593.24194	12.8
609.27234	26.7
611.25244	3.0
653.26160	100.0
654.26392	15.7
685.28290	19.6
693.12067	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67116	0.2
60.03032	0.2
66.22942	0.2
68.36931	0.2
71.28844	0.2
79.99847	0.3
93.03472	0.3
109.02969	1.0
119.05038	95.9
120.05367	1.8
121.02984	0.5
123.04527	0.4
133.02989	0.7
135.04532	0.9
137.02478	0.3
137.86073	0.2
143.13071	0.2
149.02457	0.5
151.03996	0.8
159.11339	0.2
161.02368	0.3
163.04025	100.0
164.04337	2.5
165.01913	0.5
175.02206	0.2
177.01982	0.6
179.03598	0.2
211.07649	0.6
223.06126	0.5
237.05470	0.2
253.05019	0.2
256.62891	0.2
258.10785	0.2
264.76529	0.3
265.05026	0.4
267.06818	0.3
283.06226	0.3
309.04236	0.3
311.05597	0.4
325.09305	15.1
326.09613	0.6
541.36676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72762	0.6
58.97549	0.6
61.79833	0.6
70.31062	0.7
72.99319	12.4
76.70684	0.6
82.00081	0.7
85.02995	0.8
92.05080	0.9
96.04521	0.8
108.02178	1.7
108.04577	2.1
109.02966	52.6
110.03313	0.9
116.02676	0.8
120.04523	1.3
121.02982	1.5
122.02496	6.5
123.04527	2.1
134.03755	0.8
135.04539	9.8
136.04054	8.4
138.05594	1.2
141.03519	0.8
145.02960	2.3
147.04539	2.1
148.04108	3.9
150.79111	0.7
157.02957	3.3
158.03708	1.1
159.04543	7.0
159.65396	0.8
161.02490	1.0
166.05130	7.7
173.02438	4.3
174.03247	0.8
175.04047	1.9
177.01984	0.7
179.03473	3.7
185.02464	40.5
185.86765	0.8
186.03239	6.9
192.02824	0.9
193.06606	1.5
197.04547	4.1
203.03510	2.1
205.06635	1.3
209.06061	1.6
210.04164	3.9
220.05287	0.9
221.06161	3.6
223.04100	0.9
224.04825	1.2
225.05553	2.8
229.01590	1.0
232.05182	1.3
237.05629	2.7
239.07178	2.0
247.03902	1.7
248.04803	2.5
249.05547	7.7
250.06279	0.8
251.03590	4.9
252.04279	1.7
253.05165	1.9
254.05878	0.8
258.68054	0.7
264.04291	1.3
265.05032	8.8
266.05725	1.6
267.06665	4.7
268.28998	0.7
275.03647	1.3
276.04236	2.1
277.05078	12.2
278.05582	0.9
279.03036	14.5
280.03766	5.5
292.03653	1.0
293.04599	11.9
294.05096	1.4
295.06137	57.2
296.06418	3.0
303.02881	3.4
310.86197	0.7
313.07254	3.3
321.04068	100.0
322.04401	4.9
339.05103	25.7
493.11426	9.2
519.09418	46.0
520.09705	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	731.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38360	0.4
68.99829	0.6
70.58648	0.4
72.99316	2.4
85.61487	0.4
93.03476	1.4
105.03420	0.6
106.38459	0.5
108.02186	1.9
109.02962	51.7
110.03265	1.0
121.02974	6.1
123.00899	1.4
123.04525	1.6
124.01650	0.5
133.02980	1.8
135.04527	3.2
137.02455	2.6
138.03177	0.7
139.04051	0.9
141.03513	0.6
145.02919	2.5
147.04546	1.8
149.02444	6.3
151.04041	1.2
157.02959	2.8
158.03815	0.9
159.04558	4.7
161.02446	2.0
167.03493	1.5
167.04979	0.6
173.02489	2.5
174.03285	0.6
175.03964	0.5
175.69635	0.5
177.01939	0.5
179.03496	2.1
184.01721	0.6
185.02448	32.5
186.03224	8.8
193.01418	3.2
193.06592	1.3
197.04572	1.3
208.05272	0.8
209.06094	2.1
211.07623	0.9
220.05402	1.2
221.06070	4.0
223.03998	0.7
223.07695	0.7
224.04813	1.6
225.05542	4.3
232.05208	0.6
235.03986	0.6
236.04816	1.0
237.05565	1.9
238.06354	0.6
239.07172	2.9
247.03926	1.4
248.04971	2.8
249.05588	9.1
250.02808	0.6
250.06387	1.7
251.03468	3.2
251.07201	1.1
252.04384	3.3
253.05022	0.9
260.04858	0.8
264.04428	0.5
265.05032	4.1
266.05750	2.4
267.06662	7.8
269.08136	2.4
270.50177	0.5
275.03473	0.6
276.04251	1.7
277.05057	12.9
278.05609	1.8
278.99982	0.8
279.03003	9.1
279.05930	0.8
280.03799	7.7
293.04593	10.6
294.05167	1.2
295.06143	42.4
296.06406	2.3
303.02832	1.1
311.05664	0.7
313.07272	0.7
321.04053	34.5
322.04318	1.8
335.05734	1.1
339.05099	100.0
340.05426	4.8
353.06696	0.5
489.08206	5.7
519.09448	0.6
533.11554	0.6
561.04462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38617	2.5
53.20955	2.6
53.21228	2.1
63.70777	2.4
69.03476	4.1
69.68548	9.2
72.99317	12.1
72.99699	2.4
75.51109	2.3
81.03461	7.2
93.03473	3.6
95.05080	3.2
105.03475	7.5
107.04984	2.5
108.02227	11.9
109.02964	86.5
117.85405	2.2
121.02972	6.4
123.04553	13.5
133.02974	34.3
135.03624	3.8
135.04552	46.2
136.01755	3.2
137.02455	24.4
147.04543	2.5
149.02408	5.9
151.04008	39.7
159.04561	3.8
161.02451	60.9
169.06555	3.2
173.35883	2.2
174.03230	5.4
177.01955	23.5
179.03499	16.8
180.05840	2.8
181.06616	6.2
195.03058	4.1
195.04706	2.4
197.04541	18.2
197.06100	6.0
208.05325	3.2
209.06139	12.1
211.04100	2.5
211.07700	4.3
224.04793	8.8
225.05635	11.0
235.04012	47.9
236.04691	6.1
237.05600	21.2
239.07137	3.2
241.05043	10.3
250.13495	2.3
251.03424	3.2
252.04324	6.8
253.05064	51.9
254.05699	2.5
255.06616	3.3
263.03479	7.3
264.04575	2.5
265.04977	13.5
267.06586	4.1
269.08200	9.9
281.04556	30.7
283.06085	10.1
291.03000	71.0
292.03513	6.1
293.04269	3.1
295.06082	3.2
309.04059	100.0
310.04495	5.1
311.02859	2.6
311.05661	28.1
313.07318	2.9
355.04398	2.3
357.06198	3.9
359.07785	17.2
377.08566	3.6
384.68124	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	731.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55305	1.3
71.41706	2.0
71.53755	1.4
72.99327	9.3
80.79598	1.3
81.03435	1.3
87.23943	1.4
108.02203	2.8
109.02965	86.4
110.03278	2.9
121.02960	4.6
123.04545	8.0
129.03502	2.1
133.02975	5.2
134.03711	2.1
135.04538	28.1
137.02444	5.6
145.02948	5.3
147.04530	5.3
149.02484	6.0
151.04008	2.8
157.03000	5.9
158.03777	2.6
159.04547	14.8
159.59946	1.5
161.02422	6.8
167.03584	2.1
173.02519	6.7
175.04016	4.9
177.02023	1.7
177.05609	1.9
179.03522	10.1
179.83409	1.5
185.02454	64.6
186.03207	12.2
193.06616	1.6
197.04604	10.3
197.06200	2.2
203.03581	4.4
205.47559	1.4
209.06062	2.8
220.05402	2.7
221.06146	7.6
224.04854	2.8
225.05571	4.9
229.26260	1.3
235.03935	2.1
236.04701	2.6
237.05597	6.4
238.06223	1.6
239.07202	2.9
247.03940	2.7
248.04683	4.7
249.05681	11.0
250.06348	3.1
251.03519	4.9
251.78738	1.4
252.04256	2.8
253.05016	3.4
260.04874	2.0
263.03391	1.8
264.04221	2.4
265.05060	11.4
266.05713	5.9
267.06583	10.5
268.07074	1.4
269.08151	3.9
275.03656	1.5
276.04294	3.6
277.05124	15.5
278.05722	1.9
279.03079	12.5
279.05942	2.4
280.03680	6.2
292.03693	1.8
293.04584	40.9
293.07941	2.1
294.05133	7.5
295.06149	100.0
296.06412	6.9
303.02954	2.7
309.07550	1.6
311.05722	5.2
313.07230	6.2
319.02594	8.3
319.81311	1.5
320.03232	2.1
321.04062	63.6
322.04413	4.6
329.97989	1.5
335.05685	2.4
337.03592	3.2
339.05121	62.7
340.05447	4.1
353.06665	5.9
383.43173	1.5
467.32645	1.6
489.08060	3.5
493.11642	8.5
519.09467	13.5
533.11249	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	731.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86428	2.0
56.85141	1.7
67.07820	1.5
72.99300	13.9
94.33803	1.6
95.92739	1.9
106.02700	1.5
107.05054	2.2
108.02183	30.7
109.03018	2.9
123.04535	28.2
134.03757	4.7
135.04536	69.2
141.03552	1.9
145.02997	11.4
146.03758	2.6
147.04568	2.8
151.04108	1.6
157.02948	4.9
159.04533	6.8
160.01686	2.6
168.74725	1.5
175.04100	3.3
179.03517	13.3
185.02463	49.2
185.04118	2.8
186.03244	15.5
197.04527	13.4
200.10982	1.8
205.43993	2.0
219.04637	2.2
220.05382	4.1
226.65231	1.7
235.04059	3.2
236.04802	5.6
238.06389	3.4
247.04021	4.3
248.04797	12.1
249.05571	5.1
251.03378	1.8
260.04834	3.8
260.69278	1.6
263.03815	3.4
263.06912	2.4
264.04279	11.5
265.04996	9.3
266.05930	7.1
267.06970	1.8
275.03589	6.2
276.04269	14.9
277.05136	8.8
279.03003	2.5
281.07938	1.9
283.09793	2.0
291.02945	4.2
291.06262	2.3
292.03833	22.2
293.04626	21.9
294.05298	18.2
303.02844	3.1
304.03824	4.6
307.06122	8.3
309.07742	23.7
319.02539	3.1
320.03259	22.6
327.08658	2.2
335.05630	100.0
353.06699	65.4
354.07074	2.9
382.62741	1.8
507.13025	3.0
533.10968	70.8
534.11041	3.7
551.12000	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	731.163
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96927	0.4
70.48333	0.9
70.86400	0.5
72.99322	5.2
81.03478	0.6
108.02193	2.5
109.02966	55.2
110.03310	1.4
115.05550	0.8
121.02979	1.9
121.32227	0.4
123.04522	4.3
133.02997	0.6
135.04532	3.9
137.02449	0.9
145.02972	1.9
147.04510	2.1
149.02452	5.2
149.49997	0.5
157.02925	1.5
158.03769	0.8
159.04538	4.1
161.02457	0.6
173.02408	1.8
174.03131	0.6
179.03539	3.1
185.02457	24.9
186.03221	7.1
187.03717	0.9
197.04556	5.3
197.06137	0.9
208.05388	0.9
209.06081	1.9
211.04156	0.7
211.05980	0.8
220.05139	0.6
221.06100	2.8
223.04153	0.7
223.07628	1.1
224.04826	2.4
225.05547	4.7
238.06439	0.8
239.07114	2.9
248.04808	1.4
249.05568	5.7
250.06319	2.0
251.03488	2.6
251.07117	0.9
252.04306	3.7
253.04919	1.2
259.15704	0.5
265.05045	1.0
266.05862	2.0
267.06631	6.9
268.07126	0.6
269.08221	1.9
276.04242	1.0
277.05084	11.3
278.05591	1.6
279.02975	5.6
280.03806	7.4
281.04276	0.5
293.04526	3.1
294.05280	1.1
295.06155	34.0
296.06430	3.3
321.04126	5.9
322.04620	1.0
339.05124	100.0
340.05457	9.8
359.07861	1.2
391.10324	6.2
417.34668	0.5
474.46832	0.6
533.10754	0.6
548.77612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19226	1.4
52.00622	1.4
59.01383	8.4
60.33575	1.8
71.01376	2.6
72.61211	1.7
72.99317	32.7
76.71435	1.5
86.86417	1.5
93.03463	1.7
96.95987	1.6
98.86461	1.4
103.82278	1.5
107.05056	2.2
108.02189	19.8
109.02976	6.8
113.02448	2.3
116.18874	1.7
117.03423	1.9
121.02959	2.8
123.04543	29.0
133.02968	16.1
134.03784	6.8
135.04549	81.2
136.04874	2.6
137.02507	2.8
145.02977	8.0
146.03802	4.0
147.04549	6.5
149.02451	3.2
150.03319	1.8
151.03999	3.0
152.07216	1.8
157.02946	3.0
158.03743	1.6
159.04529	8.8
160.01645	3.8
161.02467	47.2
162.02805	2.5
166.52591	1.6
175.04056	4.4
177.01932	3.9
179.03528	26.1
181.09334	1.6
185.02473	43.1
186.03264	9.6
191.03433	2.0
193.01425	3.4
197.04570	26.2
197.06346	1.8
198.04959	1.7
205.01476	1.9
219.04660	2.0
220.05243	2.9
221.78084	1.5
235.03954	2.0
236.04935	3.6
237.05684	2.2
238.06400	2.0
238.14137	1.7
247.04213	2.2
248.04784	8.3
249.05627	3.2
251.03761	2.3
263.03403	2.6
263.07401	2.3
264.04221	8.4
265.05127	8.9
266.05832	4.7
267.06488	3.1
269.08102	2.5
275.03491	2.1
276.04312	7.0
277.05121	10.8
279.03287	3.7
283.09781	2.6
291.03070	2.7
291.06476	2.5
292.03860	10.5
293.04575	18.6
294.05313	15.2
295.06070	5.1
303.02887	1.6
304.03668	3.0
307.06131	6.6
309.07748	23.0
313.07104	3.7
319.02332	3.0
320.03281	18.9
321.04080	7.6
327.08795	8.6
335.05637	100.0
336.06079	4.3
339.05136	6.3
339.09583	1.9
353.02396	3.2
353.06696	67.7
354.06934	4.8
357.06265	5.8
359.07489	11.8
371.07639	4.9
371.12463	5.2
506.13931	5.1
507.12933	6.0
533.10931	87.3
534.11371	9.0
541.26440	2.9
551.11841	7.1
569.12335	2.7
601.28625	2.0
662.93536	1.8
758.86407	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47816	0.4
69.88379	1.1
72.09616	0.5
72.99316	7.5
78.37255	0.4
81.03470	0.9
85.06403	0.5
89.05080	0.5
93.03474	1.2
108.02186	1.5
109.02959	58.2
110.03323	0.8
115.05553	0.8
121.02950	1.6
123.04524	6.0
129.03473	0.7
133.02988	1.6
134.03789	0.6
135.04543	6.2
137.02423	0.8
142.53336	0.5
145.02992	2.0
147.04518	1.8
149.02443	6.7
151.04024	1.8
157.02979	1.5
158.03696	1.1
159.04543	5.3
161.02457	1.9
164.01039	0.6
173.02493	2.1
174.03288	0.5
174.05199	0.5
177.02049	0.5
179.03511	5.7
185.02444	32.4
186.03210	10.3
193.06598	0.8
197.04564	9.0
197.06157	0.9
201.02080	0.5
205.06583	0.5
208.05299	1.0
209.06116	2.5
211.04089	0.7
211.06125	1.7
221.06039	2.9
223.04080	0.6
223.07722	1.1
223.24156	0.4
224.04788	1.5
225.05577	5.3
234.56558	0.5
235.04074	0.6
236.04901	0.6
237.05537	0.8
238.06331	1.0
239.07104	2.6
248.04720	1.4
249.05573	5.7
250.06310	2.2
251.03526	2.1
251.07106	1.6
252.04256	4.3
253.05070	1.2
254.05887	0.6
255.52893	0.5
260.04761	0.7
265.05124	1.7
266.05823	2.4
267.06638	8.4
269.08182	2.5
276.04266	1.4
277.05045	13.0
278.05646	1.0
279.03018	7.1
280.03812	8.5
293.04562	3.7
294.05258	1.1
295.06131	41.7
296.06442	2.1
313.07123	0.5
321.04059	7.9
322.04407	0.6
339.05096	100.0
340.05453	4.1
359.07651	1.4
391.10367	16.1
392.10440	0.8
519.09015	0.7
533.11163	1.0
651.38434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07788	0.7
59.01389	3.0
61.98827	1.3
71.01388	1.4
72.99309	6.2
96.96021	1.6
105.03484	0.9
105.80096	0.9
108.02202	2.4
109.02971	39.4
117.03560	0.8
121.02953	2.3
123.03786	1.0
123.04524	5.1
133.02972	7.4
134.03780	2.1
135.04549	17.1
137.02478	1.3
145.02966	2.5
146.03722	0.9
147.00859	0.9
147.04529	2.4
149.02464	2.6
151.04004	3.6
157.03004	1.5
158.03749	1.9
159.04553	8.5
161.02472	19.7
162.02850	0.9
163.04083	0.9
173.02469	2.0
175.04129	1.2
177.01958	1.7
179.03526	7.5
185.02469	24.9
186.03201	5.5
193.01450	1.1
193.05066	1.0
193.06641	1.5
197.04591	4.7
197.06149	0.9
198.04895	0.8
201.01871	0.9
203.03468	6.0
209.05879	1.2
213.05453	1.1
221.06166	2.7
224.04781	1.9
225.05626	3.7
229.01373	1.7
237.05501	2.2
239.07233	3.1
248.04919	1.3
249.05521	6.5
250.06354	1.1
251.03494	3.0
251.07249	1.3
252.04285	4.3
253.05112	1.4
265.05063	2.7
266.05753	2.1
267.06601	5.4
269.08154	1.6
276.04276	2.3
277.05066	14.5
278.05569	1.0
279.03018	17.5
280.03766	9.0
281.04593	1.0
283.10886	1.7
292.03976	1.4
293.04626	8.0
294.05222	3.5
295.06174	21.7
295.10983	1.1
296.06528	1.8
309.07693	2.6
313.07135	3.4
320.03137	1.4
321.04059	23.0
322.04388	1.8
335.05774	5.9
339.05112	18.4
340.05505	1.0
353.06598	6.1
357.06335	0.9
359.07681	5.6
438.64197	0.8
507.12802	5.8
533.10901	100.0
534.11224	9.7
551.11780	1.0
572.94788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90824	1.0
57.03431	1.2
59.01388	18.1
61.98811	2.8
70.47605	2.0
71.01393	4.9
72.99315	52.4
73.02978	1.4
80.25471	1.1
85.02985	1.6
93.03484	1.4
96.96007	1.6
101.02448	2.2
105.03483	1.8
107.05047	2.3
107.54800	1.1
107.74354	1.0
108.02182	7.2
109.02969	16.9
113.02476	2.8
117.03461	1.4
119.08170	1.0
122.03755	2.4
123.03625	1.5
123.04540	29.4
125.02471	1.4
133.02040	1.6
133.02972	17.4
134.03777	6.1
135.04543	74.0
136.04865	4.0
137.02469	3.0
145.02983	4.6
146.03703	1.4
147.04546	3.2
149.02548	1.8
150.03235	1.3
151.04057	6.2
157.03020	1.6
158.03720	1.3
159.04559	4.8
160.01735	1.4
161.02463	55.3
162.02855	3.5
173.02432	1.6
174.05641	1.3
175.04079	2.2
177.01952	3.0
178.02670	2.5
179.03517	36.5
180.03802	2.7
185.02444	12.5
186.03110	3.4
191.03491	1.6
197.04575	34.9
198.04816	1.7
203.03535	3.7
220.05339	1.3
235.04021	1.8
240.04326	1.6
248.04674	1.7
249.05511	1.7
250.06641	1.2
252.04105	1.4
253.09908	1.7
255.06697	3.3
264.04266	2.9
265.05112	2.4
266.05783	3.2
267.06607	4.0
267.11450	2.9
268.07504	1.8
269.08176	3.1
270.08624	1.4
276.04239	5.0
277.05203	5.5
277.10016	1.5
279.03055	2.8
279.07852	1.9
280.08618	8.7
283.10922	6.0
292.03873	3.1
293.04556	7.1
294.05307	7.0
295.06161	6.1
295.10913	31.8
304.03796	1.3
307.06091	2.4
309.07721	7.2
310.07980	1.5
313.07144	8.6
320.03281	6.0
321.04126	6.9
322.04163	1.5
327.09015	4.3
327.13480	6.0
331.08163	1.8
335.05643	24.5
336.05923	1.3
339.05078	4.7
339.09833	5.6
353.06726	17.3
354.07349	1.4
357.06198	9.9
359.07663	4.6
371.08228	2.0
371.12579	4.5
373.26086	2.6
379.21292	2.5
398.66577	1.1
457.14108	2.2
464.22278	1.2
493.16235	2.1
501.13760	1.5
507.12842	2.4
523.25336	6.4
533.10468	14.1
533.16046	14.6
534.10474	1.5
534.17279	1.9
537.15320	18.6
541.26605	5.3
551.11420	2.3
569.17841	100.0
570.18170	7.0
583.27112	1.2
601.28705	1.9
731.24640	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	731.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98995	0.9
57.34500	0.9
59.00733	0.9
59.01387	10.0
61.98824	1.4
71.01390	2.0
72.99309	8.0
73.02958	1.6
77.03987	3.0
85.02980	1.7
89.04012	2.6
93.03459	1.5
95.05046	8.0
96.96037	1.5
98.22636	3.8
101.02443	1.8
105.03481	18.1
109.02960	22.2
113.02483	1.4
117.03522	1.9
121.02982	4.8
122.03793	0.8
123.04560	5.9
132.02214	1.6
133.02975	100.0
134.03644	1.9
135.04535	24.0
136.04802	1.1
137.02473	2.3
145.02988	2.1
147.04581	1.9
149.02458	4.3
150.03188	1.2
151.04025	4.0
159.04590	1.6
160.01691	2.7
161.02472	23.6
162.02837	1.6
175.04050	2.6
177.01953	66.8
178.02409	2.5
179.03561	9.2
180.03896	1.1
185.02525	3.8
193.01450	2.0
197.04587	4.9
221.06281	1.4
222.06883	1.3
239.07191	3.9
249.05626	1.6
250.06467	2.4
252.77538	1.0
267.06659	12.4
277.05029	2.2
279.03134	1.7
280.03751	1.2
294.05457	1.1
295.06061	6.0
311.05557	1.8
313.07245	1.8
321.04034	1.5
335.05890	1.3
336.07092	0.9
339.05103	17.1
353.06808	4.7
357.06180	8.5
359.07800	2.0
360.45203	1.0
371.07993	1.3
390.46838	0.9
533.10767	5.7
601.28894	2.9
677.93762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18871	4.1
59.01377	9.7
60.99311	6.3
61.98829	19.4
67.38865	4.0
69.17692	20.3
71.94881	4.1
86.39630	4.4
88.98796	29.3
122.06145	26.6
132.21657	4.2
134.06155	7.8
135.04547	13.2
152.07176	32.9
161.02499	8.3
190.05157	4.6
213.10356	22.6
239.11877	11.4
241.13509	12.3
245.13045	8.9
285.12500	48.2
286.12915	4.9
293.12973	7.0
323.10565	8.5
335.05621	5.6
358.15799	8.6
400.16544	12.8
523.23492	10.0
565.24390	57.6
566.24731	9.3
609.23541	100.0
610.23926	17.9
641.26282	48.6
642.26117	7.6
695.18225	6.3
737.80377	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	731.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03455	1.6
59.01385	84.4
60.01703	0.9
61.98828	2.4
61.99750	0.7
69.03448	1.2
69.13247	5.2
71.01391	23.0
72.99313	11.8
73.02561	1.4
73.02950	12.7
74.66894	0.8
75.00893	0.8
81.03432	1.3
83.01389	9.1
83.05022	3.0
85.02957	13.0
87.00881	2.5
89.02444	8.8
95.01387	3.1
95.05010	1.0
96.95990	1.5
97.02956	2.6
98.22694	1.5
99.00896	5.1
101.02457	18.5
105.03453	2.2
107.05016	1.1
108.02156	1.1
109.02964	6.3
111.00890	1.0
112.01646	0.9
113.01706	1.6
113.02457	17.2
119.03487	3.0
121.02968	2.2
123.04530	6.0
125.02460	7.7
129.06662	0.8
131.03514	1.0
132.02176	1.3
133.02968	28.0
134.03749	2.5
135.04544	23.3
136.04861	1.7
137.02429	1.0
143.03490	5.9
147.04510	3.4
149.02484	1.9
150.03291	1.5
151.04024	9.2
155.03586	0.9
155.95212	0.8
159.04509	2.4
160.01649	1.2
161.02464	100.0
161.04390	6.0
162.02863	4.2
163.03972	0.9
173.02371	1.0
175.04019	3.0
177.01939	3.9
178.02670	1.0
179.03520	8.8
179.05043	1.0
179.05551	0.8
185.02394	1.5
190.05112	0.9
191.03419	1.2
193.01408	1.6
195.03061	1.3
197.04587	5.3
221.06702	1.3
229.01479	1.3
235.17088	0.8
238.95387	0.7
238.98677	0.7
249.05504	1.5
250.06415	1.2
253.05206	1.0
265.04984	2.3
266.05865	2.3
267.06647	2.6
268.07458	1.0
269.08252	1.7
271.09760	1.1
272.43448	0.8
277.04956	1.4
283.06229	1.0
283.10919	4.6
287.07761	1.8
292.03952	1.0
293.04724	1.7
294.05371	4.4
295.05988	2.5
295.10843	1.2
309.07535	1.9
313.07202	20.6
314.07440	2.1
316.06342	0.9
321.04086	1.7
327.05246	1.0
327.08597	4.0
331.19040	1.3
331.49838	0.8
335.05591	2.7
338.04233	1.5
339.04990	1.9
353.06714	15.7
354.07281	1.1
357.06128	1.9
359.07669	2.7
359.11893	0.9
371.07730	2.2
389.08350	1.8
397.22180	2.0
439.23499	7.4
481.24371	1.0
501.12903	1.8
505.24197	1.6
507.18121	1.1
523.25690	1.8
533.10516	12.9
534.10919	2.4
541.26611	18.7
559.27502	10.5
569.13031	5.9
570.13214	1.1
583.27881	6.6
601.18939	1.6
601.28735	32.2
602.29034	2.2
643.29907	5.3
699.18939	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74844	4.1
59.01409	5.4
59.42121	4.1
61.98840	13.7
62.65117	4.0
68.26530	4.6
69.55685	17.7
72.99310	41.7
80.70187	4.6
96.96017	5.2
109.02975	75.1
110.03314	7.8
121.02898	6.0
123.04544	19.2
123.25619	4.2
133.02992	15.4
134.03705	6.4
135.04541	59.9
145.03033	5.5
149.02493	12.4
158.03780	4.6
159.04538	9.9
161.02455	18.6
173.02461	6.6
179.03468	31.6
185.02448	62.8
186.03114	10.7
197.04559	37.7
221.06149	10.3
226.07323	6.9
248.04671	9.5
249.05490	16.8
251.03403	8.7
252.04153	6.7
265.05075	13.0
266.05881	4.7
267.06546	8.0
277.05038	18.9
279.03033	18.0
280.03650	11.7
293.04544	30.7
294.04987	10.6
295.06009	49.1
296.06409	14.0
319.02472	6.9
319.22934	4.9
321.04080	95.1
322.04416	15.5
339.05096	100.0
340.05460	13.1
349.24084	4.8
358.09290	9.7
390.21497	5.1
519.09302	7.0
533.11066	7.0
570.16248	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.98834	33.9
68.56934	0.7
72.99316	7.5
73.54805	0.7
81.03458	0.7
86.66855	0.6
93.03426	0.8
96.96016	0.7
105.55904	0.7
108.02171	1.3
109.02963	36.2
110.03292	1.7
121.02987	1.3
123.04562	3.1
133.02971	1.2
135.04561	8.3
136.04965	0.8
137.02470	0.8
145.02931	0.9
147.04541	1.6
149.00046	0.7
149.02451	4.7
150.03221	2.6
151.04050	0.9
157.02930	1.4
159.04536	3.1
161.02399	0.8
167.58299	0.7
173.02446	2.0
179.03496	5.2
185.02449	23.6
186.03171	7.0
191.03520	1.2
193.06577	0.9
195.93768	0.7
197.04544	7.1
198.04866	1.2
209.06036	1.5
211.07796	0.9
219.04482	1.0
221.06065	3.2
224.04826	1.0
225.05544	3.8
232.05418	1.0
237.05574	1.8
239.07130	2.2
247.04076	1.1
248.04810	2.3
249.05606	6.6
250.06310	1.2
251.03491	3.2
252.04283	2.9
253.04857	1.4
259.00342	0.7
260.04614	1.0
264.04370	1.1
265.05032	3.9
266.05832	1.6
267.06616	6.1
268.06989	0.9
269.08075	0.9
276.04224	2.3
277.05048	11.8
278.05585	2.1
279.02994	15.1
280.03723	8.7
281.04340	1.0
293.04581	10.0
294.05029	1.7
295.06152	26.0
296.06567	3.5
303.02951	0.8
321.04047	42.3
322.04459	6.2
329.06683	1.4
339.05112	100.0
340.05450	11.5
340.89111	0.7
471.07083	5.4
472.07828	1.1
473.08801	2.5
519.09607	2.5
669.12579	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	732.122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63925	1.9
58.67607	1.9
59.01390	4.8
59.51215	1.7
61.98821	3.6
64.93903	1.6
68.32362	2.0
72.99318	17.4
108.02175	3.4
109.02962	46.6
110.03287	3.1
111.29728	2.1
116.82469	2.1
116.92882	7.4
117.92902	2.5
121.02951	3.2
123.04552	10.3
124.04870	2.0
133.03000	4.0
134.03778	2.9
135.04532	21.7
136.04871	2.3
145.02927	2.6
147.04491	2.9
149.02469	7.2
150.03242	2.8
151.04034	2.4
159.04524	5.3
160.04848	1.8
161.02451	6.8
173.02412	5.1
179.03520	13.3
179.07909	1.8
185.02444	32.5
186.03142	10.9
197.04572	19.5
201.02036	2.2
221.06044	4.8
225.05611	4.6
237.05539	2.8
239.07018	2.2
247.03972	2.2
248.04791	2.5
249.05717	11.3
251.03510	4.2
252.04359	3.8
265.05087	6.3
266.05396	2.4
267.06567	7.0
269.08258	3.2
275.03275	1.9
276.04077	2.6
277.05093	14.5
278.05637	2.2
279.03046	17.0
280.03745	6.1
281.04297	2.0
292.03830	2.3
293.04523	17.6
294.05014	5.7
295.06131	36.7
296.06360	4.4
321.04080	58.0
322.04364	7.5
335.05548	2.3
336.05865	2.6
339.05124	100.0
340.05432	9.0
353.06378	3.4
471.07141	5.8
473.08701	2.2
519.09119	4.9
669.12860	13.7
706.59595	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	732.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
63.71251	0.2
71.41398	0.3
83.26736	0.2
100.46978	0.2
133.03053	0.2
135.04633	0.3
161.02541	0.4
183.92220	0.2
189.99023	0.3
209.11870	0.7
211.13507	0.8
252.42004	0.2
304.64038	0.2
343.24759	0.3
378.07181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31664	0.5
59.90745	0.5
62.81316	0.5
67.28664	0.4
71.43095	0.5
72.99318	11.5
74.38831	0.4
77.03973	2.8
89.03989	1.6
93.03480	1.2
95.05032	7.7
105.03474	19.7
107.05056	2.5
109.02966	10.0
117.03444	1.1
121.03020	2.5
122.03728	0.8
123.04539	8.9
124.96751	0.5
125.02458	1.1
128.76091	0.5
132.02176	1.3
133.02972	100.0
133.73611	0.5
134.03372	1.9
135.04541	19.4
137.02428	1.1
145.02927	1.0
147.04562	1.0
149.02475	2.8
150.03259	1.0
151.04030	5.4
159.04512	1.1
161.02460	73.9
162.02829	2.0
175.04005	0.8
177.01949	54.1
178.02272	1.3
179.03506	15.3
185.02382	0.9
193.01393	1.5
195.03041	4.9
197.02824	1.0
197.04578	16.5
197.06374	1.0
211.02565	0.5
211.07683	0.7
221.06194	0.6
222.06816	0.6
225.05576	0.5
237.05823	0.5
239.07137	2.0
241.08684	0.8
250.06244	0.6
257.08179	0.6
265.05136	0.6
266.05573	0.6
267.06656	7.2
269.08441	0.6
285.11255	0.8
295.06097	1.1
311.05652	1.3
311.08948	0.6
313.07205	0.8
355.08212	1.2
359.07782	25.3
360.08014	1.0
439.38358	0.6
535.12561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98351	1.2
59.01392	5.7
72.99316	12.3
74.88432	1.1
107.05048	1.6
108.02203	1.3
109.02957	2.0
114.05372	1.2
123.04546	6.1
127.75526	1.0
132.02042	1.0
133.02977	18.4
134.03804	5.6
134.06042	1.0
135.04550	89.1
136.04839	2.7
149.02504	1.9
161.02475	100.0
161.88434	1.1
162.02805	4.5
179.03528	57.6
180.03865	2.3
197.04584	17.5
329.06619	1.5
335.05679	1.5
336.05698	1.7
337.09378	1.8
359.03119	2.1
359.07721	43.0
360.08258	2.4
468.89703	1.2
517.13416	8.1
535.11914	3.1
697.17834	23.7
698.17786	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	733.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37886	1.6
57.11549	1.4
58.85644	1.4
59.01389	11.5
60.32944	1.5
62.01827	1.5
71.01395	1.7
72.99317	51.6
73.02960	2.9
73.99666	1.6
85.02957	1.7
89.02441	2.0
107.05078	1.8
108.02222	1.6
109.02966	12.6
113.02465	1.7
121.02986	2.2
123.04559	20.7
133.02962	14.4
134.03740	5.1
135.04546	61.0
136.04869	3.0
149.06076	1.8
151.04053	4.6
160.01675	8.0
161.02469	40.5
162.02890	3.4
175.04027	8.1
177.01962	1.9
179.03523	42.7
180.03931	1.5
185.02420	7.8
186.03223	2.7
193.05022	3.6
197.04565	77.2
197.06380	3.8
198.04927	2.0
225.05490	2.0
277.05078	3.7
279.02826	1.8
280.03757	2.1
295.06174	8.3
301.10788	1.6
321.03986	3.2
337.09375	4.1
339.05099	18.1
359.10168	33.1
360.09979	2.0
375.27658	2.2
413.12738	1.7
535.14587	100.0
536.15149	11.5
543.28149	4.6
697.17487	4.5
705.85266	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	733.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60952	0.4
55.68524	0.4
59.01378	0.4
72.99324	2.8
93.03469	0.6
96.96013	4.1
103.30093	0.4
108.02196	1.8
109.02963	50.3
110.03297	1.6
115.05587	0.6
115.54802	0.4
121.02979	1.1
123.04536	1.7
133.02982	1.6
135.04541	4.8
136.04889	0.6
137.02444	0.8
145.02969	1.5
146.03685	0.5
147.04588	1.3
149.02480	2.2
151.04066	1.1
157.02951	1.5
158.03847	0.7
159.04546	5.2
160.04860	0.7
161.02483	3.0
173.02440	2.3
174.03114	0.8
175.04018	0.6
179.03522	2.4
185.02452	26.6
186.03209	8.1
187.03987	0.4
191.03461	0.4
193.06555	0.7
197.04546	1.8
201.01955	1.0
202.02185	0.7
203.03487	1.4
203.21196	0.4
207.04369	0.6
209.06029	1.8
221.06090	2.1
222.06783	0.6
223.04114	0.7
223.07648	0.7
224.04823	1.5
225.05527	4.4
232.05257	0.6
233.05978	0.4
235.04181	0.4
237.05566	0.8
239.07202	2.4
248.04924	0.8
249.05577	5.0
250.06142	1.7
251.03529	1.9
251.06731	1.1
252.04263	3.6
253.05013	1.3
260.04721	0.4
264.04163	0.5
265.05023	1.4
266.05795	2.2
267.06622	6.3
268.07101	0.6
269.04733	0.7
269.08276	3.3
276.04236	1.3
277.05051	12.0
278.05322	1.9
279.03018	8.2
280.03763	8.3
281.04208	1.2
293.04608	4.3
294.05005	1.6
295.06116	28.5
296.06418	2.8
297.06723	0.8
313.07101	2.5
321.04053	10.7
322.04471	5.4
323.04700	3.1
335.05426	0.6
339.05106	100.0
340.05420	8.2
341.05859	0.8
353.06479	1.0
359.07721	0.7
503.09885	4.9
509.14395	1.5
510.14658	0.5
519.09625	0.8
521.09888	0.9
534.10974	0.9
535.12457	20.6
536.12860	1.8
725.51666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84303	0.6
59.01377	1.3
61.88747	0.6
63.01465	0.7
72.99318	4.1
73.99665	0.6
78.46172	0.6
81.03480	1.2
91.26436	0.7
93.03469	1.6
98.21893	1.6
101.02474	0.8
107.05141	0.9
108.02207	2.4
109.02965	68.6
110.03308	3.5
115.31151	0.7
119.47681	0.6
121.02953	1.3
123.04530	2.7
133.02959	1.4
134.03755	0.6
135.04546	11.5
136.04874	2.5
137.02457	1.8
145.02982	1.6
146.03687	0.6
147.04533	1.8
149.02441	2.0
151.04034	1.2
157.02986	2.1
158.03777	2.0
159.04533	6.8
161.02466	2.8
173.02469	2.3
174.03259	1.2
175.03972	0.8
176.81021	0.7
179.03503	4.4
185.02460	32.1
186.03229	8.2
197.04553	3.6
197.16428	0.8
198.04999	1.0
203.03520	3.0
208.05292	0.7
209.06096	2.6
211.07660	0.9
220.05238	0.9
221.06081	2.1
223.04080	0.9
223.07625	0.8
224.04807	2.4
225.05582	6.0
228.90225	0.8
235.04030	1.3
236.04759	1.3
237.05708	1.0
239.07140	3.1
246.99536	0.7
247.04080	1.2
248.04724	1.8
249.05573	7.4
250.06204	2.4
251.03500	2.1
251.07114	1.5
252.04268	5.0
253.05037	1.0
265.04968	2.7
266.05807	3.0
267.06650	9.0
268.06937	0.9
269.08240	3.6
276.04199	2.8
277.05051	15.8
278.02502	0.6
278.05627	2.0
279.03043	12.4
280.03745	12.7
281.03833	1.3
292.03848	2.2
293.04538	7.0
294.05054	4.0
295.06134	41.1
296.06290	3.1
309.07733	1.3
310.07861	1.1
311.05536	1.1
313.07193	2.0
320.03275	3.0
321.04016	19.3
322.04333	5.5
323.04782	0.8
335.05655	8.2
336.05969	5.4
337.06332	5.0
339.05112	100.0
340.05371	7.0
341.05472	1.0
353.06812	4.1
354.07138	4.2
355.07184	2.4
392.98419	0.7
413.97095	0.6
468.40295	0.6
493.11465	1.2
503.09918	2.4
509.14209	3.4
519.09430	1.1
519.99268	0.6
520.08929	0.8
533.11151	1.9
534.11517	3.8
535.12396	45.2
536.12781	4.5
543.28143	1.0
564.19373	0.7
637.79224	0.8
733.25812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50755	0.4
64.70937	0.5
72.99318	14.9
95.05099	0.5
107.05022	0.6
109.03033	0.6
123.04540	7.1
124.04863	0.6
132.02191	0.7
133.02975	21.5
134.03728	1.2
135.04541	20.6
136.04874	0.9
151.04021	0.6
157.39520	0.5
159.04681	0.5
160.01640	0.8
161.02461	100.0
162.02824	3.8
175.04004	0.7
177.01909	0.9
179.02031	1.0
179.03532	14.8
179.05098	0.8
180.03859	0.9
193.05090	0.9
197.04573	19.1
198.04922	0.6
223.02432	1.0
290.96072	0.4
323.07651	0.5
344.35461	0.4
359.07751	33.6
360.08060	1.4
499.12808	0.9
535.12018	0.7
546.76923	0.5
576.32129	0.7
697.17731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68490	1.0
54.12423	1.1
56.45815	1.1
59.01392	2.2
61.98832	2.9
72.99319	19.0
74.70186	1.0
85.29368	1.0
98.00187	1.2
104.21307	1.2
109.02978	11.3
120.09717	1.1
121.02998	2.4
123.04537	7.3
132.02223	2.0
133.02972	17.7
134.03749	3.2
135.04541	26.8
136.04819	1.7
140.20845	1.1
149.02463	8.2
150.03261	6.5
151.04070	2.5
160.01709	3.6
161.02463	100.0
162.02841	3.7
174.03252	1.2
175.04030	4.4
177.01918	1.3
179.03522	19.8
182.38486	1.1
185.02502	4.2
186.03201	1.3
197.04564	20.0
197.06171	2.1
198.04996	1.5
198.43076	1.1
221.06047	1.3
249.05536	1.8
265.05063	2.0
267.06729	7.4
277.05057	3.2
279.03177	1.5
283.06021	2.0
293.04559	2.3
295.06195	4.0
311.05627	13.9
313.07217	5.2
321.04047	10.0
322.04501	3.5
339.05020	4.4
350.94656	1.4
359.07764	37.8
360.08157	2.0
487.34494	1.6
491.09613	1.6
676.25262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26142	3.4
54.58296	2.9
59.01373	7.2
61.98844	5.7
68.77471	2.2
69.19769	16.4
72.99322	19.4
77.11379	2.7
78.31599	2.5
82.95422	65.1
84.00941	2.9
109.03005	4.0
109.17570	2.7
123.04544	5.9
133.02960	25.1
134.03647	5.1
135.04546	26.2
139.20894	2.8
149.02461	7.9
150.03261	6.7
160.01720	3.9
161.02467	100.0
162.02724	3.7
179.03499	22.3
197.04546	31.7
197.88101	3.1
267.06628	8.1
283.06052	6.2
311.05597	19.9
329.06854	8.3
359.07822	48.8
360.08170	4.5
487.34570	3.3
491.10245	6.0
509.10925	40.9
671.14313	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	734.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
60.77755	0.5
61.98832	1.9
65.43078	0.5
66.09207	0.5
66.92009	0.4
71.88822	0.6
72.99312	11.9
109.02971	2.2
121.02965	0.6
123.04523	4.7
126.69231	0.5
132.02248	0.8
132.46797	0.5
133.02974	16.9
134.03755	1.5
135.04539	25.5
149.02473	3.0
150.03206	1.0
151.03966	0.9
161.02460	100.0
162.02771	2.4
175.03871	0.6
177.02016	0.7
179.03503	18.1
197.04573	15.4
237.05630	0.7
249.05371	0.5
266.05789	0.6
267.06635	4.5
276.95947	0.5
283.06082	1.7
311.05634	15.1
312.06131	0.8
313.07309	2.9
337.03394	0.7
359.07745	41.7
360.08200	1.7
403.65106	0.6
447.11234	0.8
491.09854	3.7
509.11142	0.7
521.11139	1.1
671.14325	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	734.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94603	0.7
59.01393	3.0
61.98832	3.1
71.21793	0.7
72.99317	12.2
91.03579	0.6
103.44995	0.6
109.02973	3.8
121.02962	1.1
123.04552	4.2
132.02185	1.5
133.02968	17.7
134.03754	1.1
135.04541	19.1
149.02458	8.0
150.03238	6.7
151.04076	0.8
160.01636	1.4
161.02461	100.0
162.02808	1.9
175.04065	1.0
179.03525	14.0
179.05099	0.8
197.04561	17.6
214.82718	0.6
267.06668	8.0
283.06134	1.7
311.02341	1.3
311.05652	14.5
312.06326	1.3
313.07217	5.9
357.06171	0.8
359.07758	44.5
469.33328	0.9
472.01440	0.8
472.72321	0.8
487.34576	2.3
491.09869	1.4
521.11133	3.4
529.35486	1.2
671.14368	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	734.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19780	0.1
53.60971	0.1
55.90499	0.1
58.41091	0.1
59.01385	0.2
59.41477	0.1
61.06227	0.2
61.08413	0.2
61.98836	100.0
62.05874	0.1
69.70461	0.5
72.99294	0.3
88.57475	0.1
98.39075	0.1
120.03143	0.1
127.31968	0.1
133.03000	0.2
135.04562	0.6
153.29240	0.1
161.02461	1.2
179.03566	0.2
197.04684	0.3
202.60625	0.2
240.05493	0.1
302.36142	0.1
359.07932	0.4
473.08438	0.2
621.14221	0.1
707.89001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37263	1.5
59.01387	20.9
61.98833	6.6
69.08353	12.5
71.01397	8.0
72.99298	2.5
73.02963	12.1
73.42065	2.3
78.89349	1.6
81.03468	1.6
83.01382	4.3
88.98827	5.6
98.21910	4.5
101.02452	12.3
113.02459	4.0
125.02454	2.5
132.02182	22.7
133.02953	5.1
134.03748	19.9
135.04539	4.2
149.06075	2.8
160.01669	65.9
161.02452	14.4
167.07057	1.8
175.04022	100.0
179.03575	3.1
193.05107	19.1
196.61974	1.7
203.05547	3.7
225.72325	1.9
359.07739	6.9
487.27283	3.4
487.34311	67.9
488.34494	5.7
497.32455	2.2
501.36108	3.6
529.35431	16.2
530.36005	3.8
606.00684	2.3
612.25873	2.2
613.77002	2.0
644.28088	2.5
675.23578	2.9
693.23969	10.6
734.41504	3.6
735.25146	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	735.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88848	0.6
69.16523	2.6
69.16936	1.9
72.99318	17.1
74.14777	0.7
84.96935	0.7
97.31067	0.6
98.21804	0.6
100.08912	0.7
105.03484	0.7
107.05058	0.9
109.02963	3.2
116.54995	0.6
121.02984	1.9
123.04557	6.2
132.02191	1.1
132.39806	0.7
133.02977	21.7
134.03767	1.4
135.04543	24.7
136.04890	0.7
147.04523	0.8
151.04033	1.6
159.04550	1.7
161.02464	100.0
162.02847	2.8
173.02412	0.8
174.03397	0.6
177.05499	1.0
179.03526	15.7
185.02530	0.7
195.08174	0.9
197.04561	18.3
213.50108	0.6
220.05345	0.7
221.06190	0.8
223.07674	2.5
239.07153	1.9
249.05608	1.7
251.07146	3.2
253.05016	1.1
265.05124	1.1
267.06689	3.9
269.08218	0.9
277.05057	2.0
293.04636	2.0
295.06128	10.0
296.06360	0.8
297.03976	1.7
311.05719	1.4
313.07098	1.7
321.04053	4.4
339.05118	41.2
340.05469	1.9
357.06204	2.2
359.07751	56.3
360.08127	2.5
516.44696	0.8
519.09351	34.1
520.09766	2.5
537.10760	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	735.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13811	0.4
57.74025	0.4
64.29035	0.5
70.93807	0.8
72.99317	17.4
93.03433	0.5
99.00886	0.6
107.05048	2.4
109.02962	10.0
115.05547	0.9
117.03477	1.2
123.04550	8.4
133.02994	3.5
134.03778	5.2
135.04543	100.0
136.04875	2.1
138.42867	0.4
147.08171	0.5
151.04033	0.9
155.05737	0.5
159.04585	1.2
161.02470	16.4
161.06032	0.6
169.04532	0.4
177.05486	0.7
179.03517	25.1
179.08751	0.6
180.03908	0.7
185.02499	2.9
185.06071	1.2
197.04572	23.8
197.06386	1.1
198.04953	0.8
203.03661	0.8
206.07420	0.5
211.07683	0.6
213.09297	0.9
215.10872	0.8
221.04601	1.6
222.06882	1.9
223.07660	8.1
225.09186	2.4
229.72200	0.6
232.99126	0.5
239.07098	3.4
241.08728	7.1
249.05603	2.1
250.06285	0.7
251.07144	6.7
267.06644	3.5
269.08249	4.9
269.31818	0.5
277.05161	1.8
285.07773	3.4
287.09338	0.7
293.04617	1.3
295.06143	9.4
296.06494	0.8
311.05634	0.6
313.07245	5.2
321.04065	1.5
339.05118	10.8
340.05399	0.7
357.06287	2.8
359.07803	8.3
360.07999	0.5
365.31601	0.5
449.12567	1.0
465.12073	2.2
475.10312	2.4
493.11523	2.3
519.09503	1.7
537.10352	2.2
555.11743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35538	1.9
72.99319	15.7
84.05518	0.4
100.66250	0.4
105.03527	0.6
107.05036	0.7
108.02210	0.5
109.02963	6.9
121.02930	0.5
123.04542	7.0
132.02159	1.1
133.02969	19.1
134.03687	1.3
135.04541	28.1
136.04868	1.3
145.03011	0.4
147.04543	1.2
151.04036	1.7
159.04533	1.4
161.02460	100.0
162.02783	3.5
177.01921	0.7
179.03510	18.4
185.02444	2.5
197.04565	22.0
198.04901	1.2
221.06131	0.6
223.07674	1.4
224.04558	0.5
225.09195	0.5
238.10255	0.4
239.07111	0.7
241.08800	0.7
249.05516	0.9
251.07144	1.0
267.06647	1.1
268.07028	0.4
269.08163	0.8
277.05142	1.4
279.03052	0.8
293.04599	1.2
295.06110	7.0
296.06442	0.8
311.05692	0.6
313.07217	2.1
321.04095	6.8
339.05106	5.7
340.05411	0.5
357.06186	3.4
359.07755	58.8
360.08075	4.5
475.10431	0.7
493.11670	0.8
519.09485	5.7
520.09521	0.5
537.10388	1.6
717.14948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.4
61.98833	0.9
69.42156	1.5
69.42555	2.4
71.01374	0.9
72.99317	24.9
72.99707	1.6
93.03496	1.0
94.80279	0.8
96.00890	0.9
96.96024	2.0
98.71089	0.8
101.02560	0.9
105.03481	1.7
107.05017	2.0
108.02132	1.6
109.02957	6.8
110.54346	0.8
117.03443	1.8
119.05109	0.9
121.02968	1.5
122.03748	2.1
123.04543	11.6
124.04877	0.8
125.15136	0.8
133.02974	13.2
134.03777	9.3
135.04541	100.0
136.04858	4.5
137.02458	14.5
145.02946	1.8
147.04524	2.5
149.02458	4.0
149.06110	2.2
150.03226	8.0
151.04013	3.8
159.04517	4.3
160.05257	1.0
161.02460	39.9
161.06096	1.3
162.02843	2.6
165.05609	7.6
175.04015	0.8
177.01973	1.7
179.03520	36.7
180.03925	2.5
181.05138	1.1
185.02446	1.6
197.04565	33.6
198.04892	1.7
219.03285	0.9
223.02455	1.7
223.07799	1.1
240.04486	0.9
241.08763	1.1
249.05602	1.2
251.07205	2.6
267.06638	2.5
269.08328	1.8
280.07449	1.5
281.08130	1.2
282.09003	1.8
295.06125	6.0
295.09564	1.6
296.06253	1.2
296.10562	2.7
297.11383	6.1
311.05661	2.4
311.12897	2.2
313.07233	3.3
317.25870	1.1
321.04095	3.0
337.06323	1.0
339.05051	6.1
341.10437	1.1
351.12424	1.2
357.06314	2.4
359.07755	22.5
360.08157	2.7
445.16617	6.1
489.16034	0.9
493.11728	1.3
493.18683	8.9
519.09485	4.6
519.16699	8.0
520.09558	0.9
520.17151	1.1
537.11407	1.2
537.17902	17.7
538.17834	1.9
597.19952	1.9
717.21924	10.6
718.22638	1.9
765.26709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11480	0.7
59.01384	1.9
69.40074	2.9
72.98899	1.5
72.99315	30.5
77.03959	0.7
93.03497	1.2
95.05039	1.0
96.96015	1.0
105.03455	1.3
107.05035	2.2
108.02171	1.9
109.02978	9.4
117.03429	1.4
119.05033	1.3
121.02976	1.1
122.03728	2.2
123.04533	16.6
132.02226	1.1
133.02979	21.3
134.03801	9.7
135.04543	100.0
136.01697	1.2
136.04846	3.6
137.02467	15.6
143.04884	0.7
145.02983	2.0
146.03658	1.1
147.04486	0.7
149.02409	3.9
149.06076	1.9
150.03250	10.0
151.04044	4.3
156.70097	0.6
158.57603	0.6
159.04523	4.6
161.02460	88.3
161.06067	1.8
162.02795	4.0
164.04771	0.6
165.05553	7.4
173.06010	1.0
177.01939	2.2
179.03517	43.2
180.03981	1.5
185.02434	3.2
186.03244	0.8
195.03111	0.7
195.06599	1.2
197.04573	39.5
198.04951	1.1
203.03473	0.9
221.06166	1.1
223.02431	2.6
223.07686	1.1
239.07085	1.6
241.08690	0.8
245.47917	0.8
249.05453	1.3
251.07111	1.8
263.07388	1.0
265.04962	0.7
267.06555	2.7
269.08185	1.2
277.04718	1.0
280.07397	1.2
281.08188	2.6
282.08948	1.6
293.04584	1.8
294.05054	0.7
295.06125	4.9
295.09760	2.3
296.10547	1.4
297.11383	6.7
311.05298	1.6
311.12766	2.0
313.07089	2.3
321.04102	7.2
322.04218	0.7
336.05774	1.5
337.42557	0.7
339.05096	5.6
341.10367	1.9
357.06235	2.7
359.07748	53.9
360.08194	4.5
412.06305	0.7
437.92606	0.7
445.16583	4.7
475.10773	0.7
493.11975	0.9
493.18707	7.6
510.19122	0.7
519.09149	5.0
519.16620	6.9
520.09521	0.9
529.26477	1.3
537.10596	1.1
537.17816	14.6
538.18042	1.1
717.22107	10.6
718.22223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37402	0.9
57.44094	0.8
59.01387	10.0
60.30923	0.7
61.54828	0.7
70.83333	0.7
71.01395	4.5
72.99307	4.9
73.02943	1.2
76.01960	0.8
85.02966	2.3
87.00878	1.4
89.02445	1.1
98.21854	1.3
101.02482	1.5
109.02962	5.8
113.02460	3.0
117.03481	1.2
123.04536	2.5
123.82264	0.7
124.04871	1.1
125.02429	0.9
132.02196	22.3
133.02950	3.3
134.03764	24.4
135.04582	5.4
136.04939	1.1
147.04568	1.3
149.02483	1.2
149.06116	2.8
151.04065	1.6
152.04759	1.2
156.16891	0.8
159.04471	1.0
159.41446	0.7
160.01672	75.3
161.02457	8.7
162.02791	2.3
163.04114	0.8
167.07182	1.6
172.29201	0.7
173.02406	0.7
175.04021	100.0
176.04338	2.3
178.00253	0.7
178.02745	1.2
179.03487	4.8
184.40297	0.8
185.02499	4.1
186.03120	1.5
190.56607	0.7
193.05078	15.2
197.04562	5.3
198.04817	1.0
217.91786	0.9
244.39204	0.8
252.04117	0.8
268.06635	0.8
277.04938	1.1
279.03000	2.5
293.04553	1.6
295.06174	3.6
312.05942	0.9
321.04062	9.2
322.04532	2.0
339.05069	5.4
340.05557	0.9
359.07690	2.7
360.08246	1.4
499.17905	1.0
505.16995	1.9
517.19122	2.5
519.09570	1.1
547.18402	2.8
675.23175	1.8
693.24219	8.9
735.25348	15.7
735.39154	1.7
736.25909	1.6
768.80322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.8
60.55714	0.3
61.98811	0.4
67.56319	0.3
69.30441	1.4
69.97304	0.3
71.01389	3.5
73.02953	1.7
83.01410	0.5
85.02947	1.6
87.00893	0.7
89.02467	1.6
89.03969	0.5
95.01414	0.7
98.09698	0.4
101.02470	1.8
104.02670	0.3
105.03466	0.4
105.06064	0.3
109.02966	0.6
113.02480	3.4
117.03455	1.8
127.04000	0.5
132.02194	21.9
133.02911	1.4
134.03764	21.3
135.04530	1.0
137.06105	0.7
149.06117	2.9
152.04779	1.6
160.01686	70.8
161.02405	4.6
162.02887	0.4
166.97176	0.3
167.07185	2.6
175.04028	100.0
176.04395	2.5
178.02762	1.1
179.00542	0.3
179.03517	0.8
193.05086	17.3
194.05347	0.6
197.04823	0.4
223.33704	0.4
259.06116	0.4
311.11432	1.0
329.12473	0.4
359.07800	0.5
360.08057	0.8
365.82840	0.4
371.13474	1.1
429.80032	0.4
436.03482	0.4
464.15900	0.4
487.34412	0.5
499.18054	0.5
517.19525	2.3
530.35681	0.8
547.18304	1.7
675.23236	1.5
693.23956	10.5
694.24585	1.2
735.25085	17.8
736.25519	2.6
759.87866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.3
61.98835	8.4
69.15736	11.4
73.56285	1.7
75.88580	1.7
80.05072	6.7
85.06177	1.7
94.06668	3.5
107.03793	5.5
118.96493	1.8
122.06142	35.1
129.60315	1.7
132.04587	2.5
133.02902	2.5
134.06133	10.5
135.04576	2.8
136.51257	2.2
152.07196	51.8
161.02492	8.4
174.05669	4.0
175.03981	2.4
179.03589	2.7
188.07240	5.4
211.08850	2.5
213.10333	8.1
225.10480	2.0
226.11148	2.5
227.11771	2.6
237.10341	2.3
239.11903	9.8
241.13422	6.2
245.13014	6.5
251.12030	2.9
253.09929	2.9
264.09088	1.9
265.09879	5.4
277.09937	2.5
278.06946	5.3
278.10458	2.9
279.07837	5.0
285.12466	25.8
293.09363	15.6
293.13159	6.1
294.09769	4.7
295.10834	14.1
307.10867	2.4
323.10434	5.1
325.12164	2.6
337.08374	10.2
356.17603	2.6
358.15768	7.8
382.15698	2.2
400.16748	10.9
412.16513	2.5
422.04813	2.2
432.19412	2.6
459.17902	5.9
460.19101	9.6
471.30869	2.2
474.20465	2.3
476.17841	2.8
486.16562	2.6
503.17343	5.0
504.17786	13.1
518.19690	11.0
523.23486	3.3
547.48285	1.9
547.60077	2.2
550.21991	24.6
565.24713	33.8
566.25201	4.7
590.93103	2.2
597.27252	8.4
609.23608	23.9
641.26263	100.0
642.26483	8.4
673.28821	48.1
674.29150	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	736.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03621	0.2
61.98835	100.0
69.73418	0.5
69.73804	0.6
86.16833	0.2
93.19715	0.3
98.21850	0.5
127.37312	0.3
135.04538	0.5
165.59166	0.2
179.03564	0.3
186.15625	0.3
211.13318	0.5
242.52179	0.3
244.48653	0.3
255.48576	0.3
266.29721	0.3
276.45667	0.2
322.29575	0.3
343.98294	0.3
508.76352	0.3
559.35925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.267
Annotation	Ligupurpuroside C
Peak:m/z	Relative Intensity
59.01384	14.3
62.02016	0.2
63.17285	0.3
69.21938	1.2
69.22353	0.4
71.01386	6.0
72.99315	0.3
73.02953	0.3
83.01383	1.2
84.29096	0.3
85.02960	1.3
89.02456	4.5
93.03465	0.8
95.01396	0.8
99.04510	0.3
101.02438	2.5
104.43922	0.3
113.02477	2.0
117.03476	0.3
119.05038	96.6
120.05347	2.9
126.37637	0.2
131.03452	0.3
161.13370	1.3
163.04022	100.0
163.50389	0.2
164.04373	3.7
179.05609	0.7
187.11308	4.0
188.11580	0.3
205.05209	0.3
205.12297	1.3
229.12383	0.5
231.10269	0.4
245.93974	0.3
247.13348	0.3
249.11412	0.6
255.10304	0.3
273.11096	0.3
291.12311	0.3
325.09222	3.3
333.13309	0.3
337.48740	0.3
393.15570	1.6
411.16702	0.5
434.98474	0.3
513.21320	6.6
514.21667	0.5
557.20331	8.9
558.20514	1.1
573.21704	0.9
737.26630	13.0
738.26825	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	737.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01923	0.6
59.01387	19.4
59.60231	0.6
59.63496	0.6
70.08597	0.6
71.01388	7.6
72.99321	1.4
78.42043	0.6
82.51063	0.6
83.01398	1.7
84.15659	0.7
85.02956	2.3
89.02464	5.7
91.05509	0.5
93.03486	0.9
95.01408	0.6
96.96036	1.3
101.02448	3.5
107.05037	0.7
109.02888	0.7
113.02457	2.1
117.03439	0.9
119.05042	100.0
120.05386	2.3
126.90379	0.9
135.04553	2.0
145.02966	1.2
147.04494	0.5
161.02438	1.9
161.04549	0.6
161.13356	1.1
163.04028	95.2
164.04405	3.1
165.18347	0.7
179.03539	0.6
187.11331	4.0
205.12325	1.4
229.12369	0.9
249.11362	1.4
273.11328	0.9
279.82602	0.6
300.00598	0.6
309.11325	0.7
319.16583	1.2
325.09210	2.6
331.17395	1.2
393.15433	2.9
513.21381	5.7
557.12335	1.1
557.20386	14.2
558.20367	1.6
573.21722	1.2
589.19916	0.7
599.12488	0.6
737.26794	13.5
738.26459	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	737.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98836	77.5
69.16801	2.3
71.01383	17.3
71.34199	2.8
72.99329	19.3
73.02959	14.1
81.03482	2.4
82.30865	2.3
83.01411	8.6
85.02961	21.1
95.01371	4.0
96.96070	4.5
97.02984	3.7
101.02465	16.8
109.02954	7.7
111.00866	4.7
113.02481	12.2
123.04546	7.5
124.01724	3.9
125.02447	14.6
133.02991	18.5
134.03763	3.4
135.04550	29.8
143.03522	5.3
151.04008	3.0
161.02461	68.8
161.04486	3.5
162.02914	4.6
175.03972	4.2
179.03482	16.7
197.04570	21.1
228.75671	2.6
293.04623	3.8
321.03912	7.6
339.04797	3.1
359.07822	13.1
385.25970	7.9
403.26871	4.2
529.30267	30.9
547.31281	73.3
548.31610	5.1
565.32489	27.0
589.32416	11.4
607.33508	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07590	2.9
59.01089	3.0
59.01387	58.5
61.53751	2.5
71.01392	27.3
73.02958	5.0
79.39048	2.5
85.02966	5.1
87.00923	5.2
89.02458	20.3
97.03013	3.5
101.02464	17.4
106.10443	3.3
113.02467	9.4
119.03551	7.9
125.02441	6.7
141.01746	8.4
143.03485	3.8
161.04497	6.3
235.08278	8.3
253.44200	3.1
279.23309	83.2
282.57617	3.0
305.08813	5.6
361.37955	3.6
397.13528	100.0
398.13617	4.3
415.14642	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	737.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.6
61.98812	2.6
63.36829	1.8
64.49238	2.3
69.03472	2.8
69.20579	4.6
69.20992	8.3
71.01387	4.1
96.34746	2.1
111.12569	2.2
113.02399	2.1
118.00147	1.9
125.09685	2.1
153.12845	2.6
161.02472	2.6
161.09663	3.0
167.40851	1.9
175.20767	2.4
179.10777	4.4
197.11858	87.5
219.69714	1.9
241.10887	4.3
261.08353	2.3
277.21811	29.6
459.18704	2.4
477.20053	3.8
606.90479	2.3
628.85925	2.4
693.44098	2.3
737.41327	100.0
738.41858	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	737.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87233	2.5
59.01382	9.2
59.94420	2.4
66.39896	2.3
67.87280	2.3
69.88352	8.2
71.01387	3.8
80.53599	2.4
81.52055	2.2
89.02445	3.2
101.02435	4.1
151.11333	3.3
161.02490	3.4
161.09760	5.2
179.10773	4.4
180.42001	2.2
197.11853	42.1
253.09425	3.7
277.21780	54.8
278.22321	3.2
303.55203	2.9
626.74335	3.0
737.41309	100.0
738.41547	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	737.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	18.0
75.93067	0.8
81.03462	5.1
83.05039	14.3
83.45782	0.7
98.22667	1.9
133.02945	1.6
135.04521	2.4
136.04848	0.7
150.03343	0.7
156.10384	0.8
161.02477	3.3
172.67143	0.8
179.03506	1.7
192.56755	0.6
197.04535	0.7
197.79761	0.7
207.15013	1.4
224.17752	2.4
225.16116	12.1
225.18225	1.1
243.04163	0.6
303.74008	0.7
309.21555	0.7
341.29379	0.8
367.27158	1.0
433.31641	0.9
450.34085	1.2
451.32889	8.1
550.43866	1.2
638.25250	0.7
659.48688	2.1
677.49768	100.0
678.50049	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	738.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92450	0.2
59.01394	0.2
60.07089	0.2
61.98838	100.0
72.99307	0.2
104.70316	0.2
109.02979	0.5
123.64986	0.2
159.04498	0.3
213.83713	0.2
279.23352	0.2
291.06534	0.8
296.44531	0.2
299.11801	0.2
318.06839	0.2
335.05475	0.3
399.13965	0.2
456.38565	0.2
515.09851	0.8
559.08923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40578	0.1
61.98836	100.0
71.01404	0.1
83.97784	0.1
98.21893	0.3
98.99683	0.1
162.80141	0.1
209.11807	0.3
222.15112	0.1
227.13141	0.1
328.36029	0.1
515.77771	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54417	1.8
56.87935	2.2
59.01373	2.5
71.32159	1.9
72.99320	18.0
93.03453	3.8
96.96014	17.3
98.21897	5.5
108.02232	2.8
109.02965	88.1
110.03318	3.8
121.02973	9.0
123.04555	10.5
129.03540	2.4
133.02943	6.8
135.04556	33.1
145.03001	4.5
146.03764	4.9
147.04547	29.6
158.03667	3.3
159.04521	47.8
161.02484	11.5
173.02478	6.6
177.32422	2.1
179.03458	14.1
185.02449	31.8
186.03099	8.9
197.04562	13.4
203.03517	4.1
209.05997	2.5
219.02657	10.5
221.06174	2.5
222.06912	2.9
225.05530	2.6
239.07191	2.5
248.04791	4.0
249.05521	6.1
251.03410	2.3
251.07013	2.6
252.04387	2.3
253.05153	3.3
265.05112	4.3
266.05795	5.6
267.06638	20.1
268.07214	3.7
269.08069	5.1
276.04208	4.3
277.05066	8.1
278.02277	2.7
279.03043	11.4
280.03711	5.6
291.06412	100.0
292.06708	4.9
293.04535	9.2
294.05328	4.4
295.06171	37.4
296.06403	6.9
307.03656	3.1
311.05698	18.4
313.07159	5.2
317.04355	11.8
321.04105	43.0
322.04340	11.2
335.05414	38.7
339.05130	33.0
340.05325	6.7
361.03363	20.4
379.04532	14.1
399.06921	2.8
491.10001	20.5
508.26398	2.7
515.09601	75.9
516.09943	6.4
519.09412	5.4
531.06635	3.5
541.07471	16.7
559.08563	45.4
560.08893	3.8
575.05597	2.7
678.50049	17.3
679.51025	4.8
739.12720	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	739.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07741	15.1
54.54678	17.2
57.44811	14.7
59.01381	99.8
61.98833	100.0
71.01387	26.6
82.95434	42.3
83.93056	15.6
96.67245	18.9
96.96021	68.7
123.78491	18.7
133.03008	25.0
135.04538	58.8
161.02414	47.4
179.03606	23.3
207.10301	39.0
209.11819	83.9
222.58798	20.8
227.12880	19.6
252.38994	17.6
265.27921	18.7
272.78842	21.6
291.06403	24.5
515.09479	29.4
635.30573	26.7
653.31604	28.4
671.32941	29.2
679.40179	27.6
739.33923	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	739.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92220	0.4
59.01372	1.7
60.99314	16.8
71.01360	0.6
72.99326	0.6
73.98665	0.4
75.76552	0.4
88.98816	100.0
89.02451	4.0
89.99127	0.5
96.96019	0.4
103.16949	0.4
135.04567	1.2
161.02457	1.5
179.03563	0.6
180.09932	0.4
197.04703	0.5
367.84589	0.5
447.25885	0.5
447.50067	0.4
549.32684	0.7
609.34796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	9.0
61.98826	2.3
70.56982	4.7
71.01382	6.1
71.05020	2.4
72.27621	2.4
72.99321	2.7
77.22179	2.4
88.16235	2.2
90.34397	2.1
96.95969	2.4
97.02980	3.3
97.06599	2.4
99.00894	8.5
101.02448	4.6
125.09759	4.7
125.64018	1.9
128.15793	2.8
133.02969	6.8
135.04497	3.7
161.02457	17.0
163.11278	5.4
171.10252	9.0
181.05032	3.7
181.12386	15.9
199.13417	19.2
207.10323	31.0
217.00516	2.0
225.11362	55.1
243.12404	10.6
253.09341	4.5
277.21747	43.7
291.06332	3.2
461.20435	4.7
515.09399	2.7
558.43213	2.3
721.41327	3.1
739.42816	100.0
740.43872	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	739.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28530	3.1
59.01381	10.3
61.98835	3.8
63.16568	3.5
70.19999	7.3
70.20338	4.4
71.01387	11.7
73.02950	4.4
89.02457	4.8
95.01423	3.0
97.02954	4.3
99.00870	11.3
101.02468	3.6
125.09747	6.4
129.16901	3.7
135.04547	3.3
147.04475	3.8
161.02454	6.3
163.11256	7.6
171.10294	19.1
180.20917	3.6
181.12363	14.0
199.13368	9.6
201.11285	4.1
207.10277	30.5
225.11320	57.4
235.08162	3.9
243.12489	4.9
244.86003	3.4
253.09360	4.8
253.12233	3.7
277.18732	5.3
277.21750	94.1
278.21997	5.3
279.23404	4.1
291.06342	10.2
336.93393	3.5
461.20389	6.8
515.09827	5.4
721.41443	8.7
739.29498	4.8
739.42694	100.0
740.43250	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	740.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20005	1.3
55.29687	1.5
55.41857	1.3
56.74512	1.4
57.54411	1.6
59.01388	2.8
61.98837	3.3
69.64596	1.4
71.42423	1.9
72.99310	4.5
86.16512	1.4
96.96030	2.0
109.02972	1.9
117.03475	1.4
133.02951	10.1
134.03801	7.5
135.04541	100.0
136.04865	2.0
161.02477	26.0
162.02888	1.8
179.03505	47.8
180.03961	1.7
236.24574	1.6
251.05872	4.3
252.06601	8.2
262.05170	1.9
280.06100	4.4
310.07190	1.7
312.08899	1.9
321.06552	2.1
322.07172	2.5
340.08237	10.9
356.07822	2.6
384.07120	2.3
471.96008	1.6
502.11630	2.9
528.10449	1.5
546.10425	12.1
571.12213	1.4
578.13074	77.9
579.13190	6.3
686.98401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46450	0.2
58.79857	0.2
61.98838	100.0
94.96932	0.2
109.02975	0.4
147.04645	0.2
159.04588	0.3
279.54254	0.2
291.06244	0.2
292.06949	0.3
427.59085	0.2
516.09998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.3
60.51554	0.3
61.98837	100.0
71.29321	0.3
79.75426	0.3
85.03048	0.3
98.72086	0.3
107.91979	0.2
109.02984	0.6
167.99940	0.2
280.23508	0.3
288.28397	0.3
291.06531	0.5
314.39526	0.3
437.38162	0.3
515.10046	0.3
516.10376	0.5
546.21899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.7
61.98817	1.7
77.03969	1.7
80.07896	1.0
102.76583	1.0
121.02966	100.0
122.03273	1.2
135.25906	1.0
141.01709	4.0
165.01944	74.5
166.02255	1.7
181.06586	2.4
191.03467	1.6
193.94867	0.9
225.05603	0.9
243.43733	0.9
344.28131	1.0
354.11264	0.9
357.06216	9.7
364.56323	1.0
741.14526	5.2
745.82672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83107	1.9
59.01378	5.1
61.98846	21.7
70.42241	4.1
72.99294	3.9
76.90693	2.3
79.95738	2.5
81.95321	2.2
86.69173	2.2
90.03517	4.6
96.96025	100.0
97.95966	2.8
98.95604	45.6
98.96434	8.5
99.92603	15.3
115.92088	3.8
116.92883	21.5
120.87855	2.0
122.06131	8.9
133.02979	5.1
134.06142	4.3
135.04527	4.7
137.02470	3.9
138.51962	2.3
150.06841	4.3
152.07195	4.7
161.02461	16.1
179.03531	5.9
192.66162	2.2
225.10294	3.3
238.07509	4.3
239.08286	5.8
241.09825	5.8
253.09799	5.8
254.10565	2.4
255.11412	17.8
322.00412	2.4
324.01810	2.3
325.02808	4.2
336.02148	11.1
337.02985	15.8
338.03287	2.6
340.05164	12.1
354.03091	7.6
355.03918	3.1
367.03867	3.3
384.04166	18.5
423.02829	3.0
493.35153	3.0
543.11566	3.0
560.10938	3.3
587.13635	8.1
588.14709	2.9
604.10791	2.4
611.14984	2.4
615.13489	3.4
617.14478	3.0
628.14612	2.5
629.14954	12.3
643.16400	12.5
647.15961	5.9
661.17755	26.5
662.17755	4.4
665.14465	2.4
673.14136	4.9
675.15680	36.3
676.16241	6.4
679.19202	22.9
680.18378	3.8
687.15131	4.7
691.14630	4.8
693.16748	12.5
694.17242	3.0
697.42157	5.2
705.16437	14.8
706.16663	2.8
719.14758	14.7
723.17419	13.7
737.16077	4.4
741.18677	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	741.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	1.9
61.49310	0.8
69.76799	2.9
71.01395	2.8
72.99334	1.1
80.66096	0.8
83.01431	0.7
85.02981	1.7
89.63010	0.7
91.01920	2.1
91.53262	0.7
93.03473	1.4
96.96037	1.2
101.02489	1.8
108.02173	2.3
109.02969	20.8
111.79536	0.9
113.02437	1.0
117.03492	0.8
119.01414	5.9
119.05066	0.9
121.02966	4.9
122.03762	1.2
123.00925	1.6
123.04562	3.3
126.31743	0.7
132.02184	0.7
133.02991	1.6
134.03760	4.5
135.04549	13.6
136.01682	13.3
136.04994	0.8
137.02502	1.9
138.03314	0.9
139.00426	0.8
139.04073	1.3
143.72980	0.8
145.02934	0.9
146.03740	3.6
147.00909	5.1
147.04510	1.7
148.01707	3.1
149.02467	16.7
150.03278	4.0
151.04030	13.2
153.05602	2.4
160.01674	2.3
161.02499	5.5
161.06113	1.7
162.03230	2.4
163.04002	9.2
163.05200	0.8
164.01147	0.9
164.04805	15.4
165.02003	3.0
166.02734	19.6
167.03474	1.8
167.75433	0.7
175.00389	31.6
175.01950	1.5
175.04028	3.2
176.01059	2.8
177.01917	1.1
178.02744	2.8
179.03587	5.6
179.05617	1.2
179.07147	9.8
181.05096	38.5
181.46133	0.8
182.05440	1.6
189.01990	1.0
190.02742	82.2
191.03320	4.0
193.01421	1.3
193.05089	6.2
197.04649	1.3
205.05075	76.5
206.05453	3.6
208.03740	2.0
209.04590	1.8
211.06184	3.3
221.08165	1.2
223.06140	17.4
247.06099	1.9
254.05917	2.6
255.06639	1.0
265.07291	0.8
269.08289	3.8
270.08936	1.1
284.10577	0.9
313.07245	0.8
313.10852	1.2
328.09467	1.5
329.10431	3.5
337.09396	3.0
343.11871	6.8
352.07840	1.2
353.09042	0.9
359.11514	3.8
367.10364	100.0
368.10791	6.0
403.14059	11.3
480.36890	0.8
741.24097	41.4
742.23914	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	741.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70213	1.6
59.01381	5.8
65.00359	1.9
69.16676	10.0
71.01395	3.8
72.99316	3.5
74.80854	1.6
83.51785	1.6
83.82168	1.5
85.02950	2.3
93.03446	2.3
96.96031	2.9
98.21914	4.4
101.02454	3.3
105.03467	2.0
108.02250	3.4
109.02969	4.9
112.25871	1.5
119.01410	2.9
120.02168	2.5
121.02962	7.5
122.03774	2.1
123.04514	7.4
124.01658	1.9
132.02173	7.9
133.03004	8.3
134.03766	13.8
135.04539	20.5
136.01682	9.8
139.04047	9.1
145.02948	3.1
146.03735	4.2
147.00876	3.9
147.04546	3.2
148.01703	16.3
149.02480	17.3
149.06093	4.8
150.03221	5.4
151.00372	1.6
151.04062	14.3
153.05617	14.6
160.01691	30.3
161.02472	14.6
162.03169	4.7
163.04036	35.2
164.04803	15.1
165.05559	2.2
166.02756	11.3
167.03552	3.3
174.98973	2.7
175.00397	27.1
175.02556	1.7
175.04045	31.0
177.01883	3.5
178.02728	25.0
179.03564	11.6
179.07109	6.0
181.01506	2.6
181.05095	29.8
190.02748	71.9
191.03392	2.6
193.03285	3.8
193.05083	67.1
196.03766	7.0
197.04559	3.4
205.05075	62.3
205.92996	2.0
207.06664	2.9
209.04594	5.2
211.06142	80.4
223.06129	15.1
241.07152	2.2
254.05904	5.8
269.08301	8.0
285.07718	2.9
313.10724	3.5
325.09256	2.1
328.09369	2.0
337.09286	46.0
340.08194	3.2
343.11816	12.3
357.09827	2.3
359.11188	2.2
367.10355	100.0
368.10733	6.3
373.12906	7.1
374.08774	3.1
402.08319	3.6
403.14139	2.2
493.24136	2.2
509.11017	2.2
519.14612	2.8
536.01801	2.0
549.16028	4.1
561.16473	9.6
579.17279	36.3
741.24042	19.7
742.24530	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	0.4
57.03447	0.4
58.45745	0.3
59.01386	19.4
61.98827	0.6
71.01390	9.2
72.99326	1.9
73.02962	0.5
80.81670	0.3
83.01395	1.4
85.02959	2.6
89.02454	7.1
89.02993	0.3
89.10081	0.4
93.03446	0.4
95.01426	0.4
95.05049	0.9
96.96012	1.1
98.95595	0.6
101.02451	4.9
105.03454	1.0
107.05038	0.6
108.02186	24.6
109.02985	2.8
113.02470	3.8
119.03512	3.6
120.05813	0.6
121.02975	0.7
122.03790	0.4
123.04539	12.5
133.02972	5.8
134.03807	1.9
135.04532	5.0
137.02466	0.5
143.03506	0.9
145.02972	0.7
149.02512	0.6
149.06105	2.1
151.04008	0.6
152.01172	54.4
153.01698	0.7
161.02472	5.4
161.04570	0.9
161.09778	0.7
161.13379	3.2
167.03511	100.0
168.03850	2.2
169.10199	0.5
174.01833	0.4
175.00323	0.4
177.01898	3.1
179.03543	2.4
179.05693	2.6
179.10805	1.2
185.02512	1.1
187.11314	6.3
197.04530	1.7
205.12344	3.4
209.04515	0.8
219.02872	0.6
229.12306	0.8
231.10170	0.6
245.12193	0.4
247.03874	0.4
247.13461	0.5
249.05635	0.5
249.11313	1.7
255.09874	0.4
259.13406	0.4
267.06628	0.7
271.13394	0.4
273.11539	0.7
277.04938	0.5
279.02884	0.8
291.12393	0.6
293.04691	0.7
295.06226	1.2
297.11316	0.4
315.12378	1.9
321.04022	3.4
329.08740	0.9
333.13303	0.9
339.04971	2.0
349.16583	0.6
358.09561	0.5
359.07480	1.7
375.14221	0.5
381.05859	0.8
385.14911	1.0
386.08554	0.4
392.22116	0.4
393.15588	4.9
394.15790	0.4
402.08203	0.9
411.16708	1.2
517.20764	3.2
518.21088	0.4
561.19855	12.7
562.19922	1.2
573.21997	4.0
741.26184	22.8
742.26227	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	741.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.9
61.98823	12.7
67.64812	4.1
70.90649	6.0
70.90998	5.1
72.99307	4.9
73.02957	49.9
77.86065	4.7
82.95419	9.1
96.88351	5.2
96.96015	6.8
106.06659	7.4
122.06164	18.6
123.04597	5.1
132.54750	4.9
134.06142	35.2
135.04555	8.8
135.37111	5.1
160.06438	10.6
161.02466	21.6
162.76515	4.8
211.13435	10.4
213.10333	43.8
226.11226	5.6
239.11868	24.0
241.13522	22.8
251.11852	7.0
282.71921	5.8
284.58676	5.2
285.12466	84.1
293.12878	11.9
305.00446	5.0
305.09314	6.3
307.10995	5.6
337.11963	5.2
343.13461	7.7
352.75735	5.5
357.14792	6.8
358.15646	20.5
369.14743	5.5
379.12787	8.8
400.16589	16.8
412.16266	7.1
461.67181	5.4
547.23724	28.4
553.27771	7.4
579.26105	19.5
591.22461	14.5
621.27179	79.2
622.27771	9.9
655.32764	6.5
665.26294	100.0
666.25806	7.2
697.28961	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	741.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.9
71.01402	0.3
71.05015	0.6
72.99314	0.3
82.40765	0.3
85.02988	0.4
85.40147	0.3
89.02460	0.4
98.21815	0.7
101.02423	0.3
104.21019	0.2
109.02968	0.7
113.02491	0.3
123.04556	0.4
133.02930	0.3
135.04524	0.8
151.04051	0.3
161.02454	1.6
167.03516	1.0
179.03528	0.4
197.04497	0.4
201.01797	0.3
209.04607	0.4
258.94534	0.3
269.58887	0.3
272.13647	0.3
292.69672	0.2
313.07315	0.3
321.04309	0.6
339.05161	0.8
359.08148	0.3
377.28467	0.9
381.05859	0.4
389.28665	0.3
407.29688	2.3
411.28851	0.5
451.28555	0.4
459.31085	0.6
475.33841	0.3
501.32242	6.6
502.32849	0.7
509.89642	0.3
519.33331	100.0
520.33679	8.6
561.34314	2.2
681.39160	1.3
733.96014	0.4
741.40924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
61.98827	1.2
71.26524	1.0
72.99295	2.0
82.95408	1.6
84.95157	0.8
85.02973	0.9
88.98833	0.8
91.45375	0.8
96.96010	3.4
100.07687	0.7
123.04521	1.1
133.02948	2.4
134.03743	2.2
135.04518	2.5
135.08083	1.0
149.06042	5.4
150.06876	73.7
151.07231	1.7
161.02448	8.1
161.09787	2.1
162.06870	1.6
163.07664	11.0
164.08444	15.2
177.09196	1.1
178.09975	1.4
179.03531	2.6
179.10786	38.1
180.11102	1.1
193.05077	1.9
195.35808	0.9
197.04497	1.0
245.83566	0.8
283.10938	1.3
298.31299	0.7
311.25970	2.3
313.20419	1.5
313.23859	20.7
314.24173	1.0
314.58624	0.9
398.41605	0.8
468.23917	1.0
475.34354	6.2
478.32953	3.3
492.34686	8.3
493.35422	28.9
494.35764	2.4
507.36670	1.2
535.36255	1.0
579.14050	1.4
612.60016	0.9
655.40869	1.9
697.41736	100.0
698.41974	9.9
736.01953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27980	1.4
63.52930	1.4
65.12945	1.5
69.21213	9.0
72.44085	1.4
72.99327	10.7
93.03496	2.0
106.04645	1.7
108.02167	2.4
109.02968	75.9
121.02972	8.8
121.05910	1.5
123.04548	3.3
124.64180	1.5
129.91559	1.5
134.02513	1.5
135.04524	5.3
145.02942	3.4
146.02512	1.9
147.00906	1.7
147.04535	3.3
149.02446	5.5
157.02975	3.5
159.03346	1.5
159.04550	6.5
162.01964	4.8
163.02827	3.6
173.02478	3.8
175.02808	3.3
185.02454	38.9
186.03246	11.0
191.02216	3.4
193.06618	4.1
193.14995	1.6
197.04625	1.9
197.06221	1.6
200.36662	1.8
209.06154	3.1
220.05202	2.8
221.06142	6.1
223.04124	3.3
224.04832	2.0
225.05641	5.8
232.05151	2.5
234.04048	1.7
236.04718	2.4
237.05534	4.7
239.07150	3.6
241.36209	1.5
247.03929	1.6
248.04843	5.0
249.05519	13.3
250.06267	2.8
251.03476	7.1
251.05785	2.5
252.04433	3.3
253.05196	1.9
264.04413	2.4
265.05048	8.0
266.05667	2.3
267.06674	10.0
268.06238	3.8
269.07370	2.9
276.04324	4.1
277.05066	20.1
278.05923	2.4
279.03012	16.5
280.03714	7.2
280.06448	3.3
281.06961	4.1
282.07626	3.7
284.09277	2.0
292.03619	2.7
293.04584	22.2
294.05057	2.8
295.06149	31.8
296.06281	2.2
303.03058	3.5
308.05771	1.9
310.07336	2.1
312.08759	2.9
319.02594	2.5
321.04077	81.0
322.04349	4.4
328.08524	2.2
339.05115	100.0
340.04974	3.8
340.08301	6.4
356.07669	3.8
358.09402	14.6
384.07364	3.1
386.08765	5.1
402.08362	31.5
403.07156	2.0
521.22955	1.7
647.88593	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	742.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.6
67.77168	0.8
70.34601	1.9
72.98943	1.2
72.99323	8.9
81.03466	0.9
93.03464	2.2
108.02193	2.3
109.02965	52.0
113.94298	0.8
118.66763	0.9
121.02956	9.8
123.04533	3.6
132.25792	1.0
135.03554	0.9
135.04515	4.2
137.02460	1.5
139.04018	1.4
145.03003	1.3
146.02513	1.7
147.00853	1.3
147.03378	1.1
147.04456	4.1
148.04088	1.1
149.02419	5.2
151.04037	0.8
157.02930	2.4
159.04488	4.5
161.02539	1.7
162.01973	5.7
163.02768	2.6
164.07088	1.0
173.02419	3.4
174.01863	1.0
175.02715	5.0
175.04053	1.0
176.03510	1.4
178.05011	1.2
179.03555	1.1
184.01683	1.3
185.02446	35.5
186.03226	9.1
187.03909	1.0
190.01437	1.9
190.05252	1.0
191.02266	4.2
192.03004	2.5
193.06583	2.2
195.04626	1.0
200.01231	1.0
204.05876	1.3
206.04645	1.0
209.06108	2.8
211.04066	0.8
213.01883	1.2
219.04446	2.0
220.05263	2.2
221.06088	8.4
223.04057	2.0
224.04976	1.7
225.05563	3.1
232.05231	1.3
235.04128	1.5
236.04884	1.5
237.05527	2.5
239.07301	1.2
247.04008	2.4
248.04761	5.3
249.05559	12.2
250.06235	3.0
251.03465	5.9
252.04280	3.9
253.05190	1.5
260.04938	1.1
263.03436	1.6
264.04245	1.8
265.05075	8.9
266.05734	2.0
267.06714	8.0
268.06281	2.4
269.07007	1.3
270.07846	1.5
272.09393	1.3
272.63916	0.8
275.03671	1.1
276.04333	3.8
277.05066	16.4
278.05652	1.5
279.03027	18.2
280.03738	6.9
280.06296	2.8
281.06879	4.4
282.07639	2.1
284.09369	1.3
292.03564	1.3
292.06482	1.4
293.04614	19.8
294.05090	2.2
295.06131	24.3
296.06042	1.4
296.09216	2.4
297.06451	1.3
303.02966	2.3
308.05679	1.4
310.07196	1.2
311.05499	1.1
312.08801	3.5
313.07193	1.0
319.02502	4.7
320.03076	1.2
321.04053	100.0
322.04272	6.1
324.08795	3.2
326.06598	1.7
328.08350	1.9
339.05106	46.1
340.05756	1.6
340.08621	8.3
346.09387	2.7
356.07764	5.1
358.09302	13.6
384.07309	3.5
386.08798	7.3
402.08322	41.9
403.08548	1.7
404.09808	4.2
420.09592	1.0
510.40112	0.9
668.13983	2.3
680.13892	1.4
742.14783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90823	0.8
64.12684	0.8
72.99313	7.2
86.60748	0.8
93.03480	1.9
98.22638	1.5
108.02196	2.3
109.02966	37.8
121.02977	6.0
123.04559	3.1
133.02922	1.0
135.04498	2.8
136.03973	1.0
139.04063	1.1
139.15005	0.8
145.02969	1.8
147.03380	1.2
147.04559	3.0
148.04068	1.1
149.02469	3.2
151.04059	0.9
157.02954	1.1
159.04512	3.6
160.04045	1.6
161.02510	1.5
162.01993	3.8
163.02795	1.9
173.02487	3.4
175.02715	4.1
175.04059	1.8
176.03522	1.4
179.03464	1.2
185.02455	30.1
186.03183	6.3
190.01550	1.1
190.05112	1.2
191.02252	3.7
192.03056	2.4
193.06606	1.3
195.04500	1.0
196.05299	0.9
206.04642	1.3
209.06097	1.9
211.07867	0.9
219.04520	1.4
220.05286	1.3
221.06108	5.5
223.03969	1.4
224.04852	1.1
225.05539	3.0
232.05246	1.4
236.04674	1.5
237.05624	3.3
239.03777	1.0
239.07091	3.0
247.04012	2.0
248.04762	3.6
249.05583	9.4
250.06175	1.2
251.03581	5.9
252.04434	3.3
263.03592	1.4
264.04181	1.8
265.05099	7.6
266.05908	2.3
267.06659	5.7
268.06192	2.2
275.03513	2.5
276.04285	2.8
277.05075	11.8
279.03018	18.8
280.03705	4.5
280.06296	2.0
281.04263	1.0
281.07028	4.3
282.07767	1.0
284.09341	1.2
288.81186	0.9
292.03568	1.8
293.04562	17.7
294.05124	1.4
295.06171	21.5
296.06308	0.9
297.06537	1.6
303.03195	1.5
304.03888	1.2
311.05554	1.5
312.08792	1.8
319.02478	5.5
321.04059	100.0
322.04312	5.9
324.08917	2.1
326.06537	1.0
328.08328	1.9
339.05084	40.5
340.08621	6.7
342.09894	1.6
346.09381	1.5
356.07666	4.4
358.09338	10.9
368.07690	1.5
384.07214	3.1
386.08905	6.6
402.08307	46.4
403.08621	2.8
404.09979	4.7
668.14197	2.8
771.59131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
60.43216	0.8
68.18938	0.8
69.35021	4.2
72.99328	6.8
79.77970	0.8
86.07480	0.9
93.03448	1.1
99.06042	0.9
108.02162	1.2
109.02962	39.0
113.03946	1.1
121.02981	8.5
123.04539	3.9
135.04506	2.0
137.02469	1.8
139.04071	1.8
145.02975	2.1
147.04538	3.5
148.04095	1.5
149.02464	5.6
157.02931	2.7
159.03256	1.1
159.04524	4.1
161.02513	1.5
162.01944	4.8
163.02779	2.2
165.07043	0.9
173.02458	3.5
175.02740	3.3
175.04109	1.4
176.03535	1.3
180.25563	0.9
185.02448	32.6
186.03207	7.5
190.01398	1.1
190.05058	1.5
191.02295	3.6
192.03026	1.9
193.03720	1.3
193.06601	2.5
197.06116	1.3
206.04759	1.1
207.04549	1.0
208.05457	1.0
209.06142	1.9
213.01917	1.0
213.90137	0.8
219.04526	1.2
220.05249	1.8
221.06099	5.2
223.04037	1.2
224.04877	1.3
225.05562	3.0
234.03918	1.1
235.03935	1.3
236.04878	1.4
237.05560	2.8
239.07210	1.4
240.07111	1.2
247.04024	2.1
248.04776	3.7
249.05573	10.1
250.06433	0.9
251.03537	5.6
252.04303	2.4
252.06622	1.1
253.04956	1.5
257.06763	1.1
263.03519	2.0
264.04135	1.2
265.05011	7.5
266.05811	0.9
267.06772	5.2
268.06189	2.1
269.07037	1.7
272.09387	0.9
275.03513	1.7
276.04224	2.2
277.05075	12.1
279.03012	17.2
279.05905	1.3
280.03662	5.0
280.06363	1.6
281.06836	4.7
282.07825	1.5
284.09360	1.3
284.69601	1.0
292.03845	1.0
293.04568	16.2
294.04962	1.6
295.06146	24.2
296.06232	1.4
296.09393	2.3
297.06354	1.4
303.02975	1.8
308.05554	1.6
310.07327	1.1
311.05670	1.7
312.08975	2.1
313.07022	1.0
319.02466	3.7
321.04068	100.0
322.04337	5.0
324.08771	1.5
328.08215	1.8
339.05106	38.6
340.08487	8.5
341.08710	0.9
346.09439	1.8
356.07779	4.0
358.09341	12.2
384.07315	4.4
386.08762	5.9
402.08325	43.6
403.08630	3.9
404.09802	3.6
420.10226	1.2
668.14075	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	743.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18845	3.1
69.19271	3.9
76.33348	1.0
81.03441	2.3
108.02174	3.4
109.02968	100.0
110.03303	1.8
111.38084	1.1
117.03487	1.2
119.05070	1.2
121.02948	3.5
123.04518	2.2
124.01688	2.1
129.03513	1.2
131.83952	1.0
133.03004	2.0
135.04474	1.7
144.21471	1.3
145.02985	4.0
146.03773	3.0
147.04565	8.8
148.01601	1.5
149.02426	1.8
150.53976	1.1
151.03996	2.6
157.02956	1.8
158.03712	3.2
159.04539	25.3
163.04074	1.1
167.03488	3.0
173.02446	3.8
175.03972	1.8
177.01961	4.6
179.03516	1.3
183.04567	1.1
183.08038	1.3
185.02461	21.0
186.03284	6.9
186.04736	1.4
191.03444	1.1
195.04492	1.9
197.06108	3.2
199.07671	1.3
203.03468	4.1
207.02930	2.1
207.04671	1.4
209.06123	7.2
210.06900	1.5
211.04018	1.9
212.04680	1.5
213.02013	1.3
215.03519	1.3
221.06099	3.3
224.04787	3.6
225.05643	9.5
227.03513	2.4
228.04233	3.0
229.01450	1.4
235.04044	3.4
236.04813	2.7
237.05708	6.5
238.06258	1.9
239.03459	1.6
239.07092	3.2
240.04276	3.5
241.05069	1.7
243.06575	2.3
249.05563	5.0
250.06236	1.7
251.03485	1.8
252.04150	3.8
253.05080	12.0
254.05840	5.7
255.03078	1.3
255.06419	1.6
256.03714	1.7
257.04431	1.4
263.03455	2.2
264.04242	2.6
265.05035	5.0
266.05692	1.7
267.06625	5.2
269.05093	1.5
269.08188	16.5
271.06161	2.3
277.05042	8.1
279.02942	4.6
280.03775	6.7
281.04575	17.2
284.03207	7.0
285.07623	2.9
293.04755	2.6
295.06180	20.3
297.04053	1.4
297.07620	2.1
299.05606	4.6
309.03943	3.3
311.05676	2.5
312.05981	1.7
313.07230	24.5
314.04340	4.9
314.07562	1.7
315.04977	3.0
321.04044	6.4
323.05557	4.9
327.05170	6.7
328.05658	1.7
329.06650	3.8
339.05121	50.1
340.05405	2.2
341.06680	19.0
357.06311	2.4
359.07785	15.0
371.04007	1.8
385.05777	7.2
403.06735	98.2
404.07047	6.8
613.60809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45897	0.4
68.40095	0.4
69.20560	2.6
72.99313	2.0
73.49059	0.4
91.82784	0.4
93.03440	0.6
96.96044	0.5
108.02193	0.6
109.02957	18.6
110.03329	0.5
121.02954	1.3
123.04542	0.9
133.02979	0.8
135.04507	1.4
145.02975	0.9
146.03760	0.7
147.03358	0.6
147.04515	1.9
148.01706	1.4
157.02956	1.2
158.03667	0.8
159.04523	4.0
161.02499	0.6
163.04077	0.4
173.02490	1.2
174.03185	0.8
175.03967	0.5
176.78496	0.5
177.01959	1.0
179.97276	0.5
183.04501	1.1
184.05247	0.5
185.02446	10.2
186.03172	1.8
186.57312	0.5
196.05244	0.8
197.06053	1.3
207.02957	1.5
208.05202	0.7
209.06087	2.1
211.04018	1.6
213.05467	0.7
221.06148	0.8
224.04877	0.9
225.05568	5.9
226.06406	1.1
227.03555	0.8
227.07233	0.7
228.04251	1.5
235.03960	1.1
236.04805	3.5
237.05579	3.1
239.03424	1.0
239.07016	0.6
240.04350	1.3
241.05086	1.9
243.06587	1.0
249.05447	2.3
251.03540	1.1
252.04314	1.2
253.05026	7.5
254.05826	7.2
255.02966	1.6
255.06467	0.8
256.03790	2.4
263.03677	0.9
264.04282	2.8
265.05118	2.4
266.05597	0.5
267.03009	1.0
267.06619	1.7
269.05130	0.8
269.08224	3.1
270.05374	3.0
271.06180	1.6
277.05090	1.7
279.03018	1.3
280.03772	3.0
281.04575	9.3
282.05362	2.6
283.06137	0.8
284.03253	1.4
285.07733	1.3
293.04568	3.6
294.05283	0.6
295.06110	11.4
295.09363	0.6
296.06476	0.7
297.04236	0.5
297.07629	0.5
299.05594	1.7
309.04272	0.8
311.05560	1.4
313.07230	10.1
314.04379	3.8
315.05103	3.5
316.05573	0.5
321.04037	8.5
322.04535	1.2
323.05637	4.6
327.05145	1.8
329.06638	7.5
330.07410	0.7
331.08334	1.1
333.06174	2.0
339.05063	8.1
340.05475	0.6
341.06702	14.6
342.07166	0.9
357.06024	1.0
359.07773	4.3
385.05664	5.4
389.04916	1.4
403.06723	100.0
404.07034	5.8
405.08392	1.1
421.07971	1.5
595.94965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99548	1.2
69.67740	4.2
72.99312	6.2
81.03516	1.8
98.21940	1.3
108.02180	4.9
109.02966	100.0
110.03291	2.0
119.05012	1.6
121.02972	4.1
123.04523	3.3
124.01609	1.5
125.29481	1.1
133.02985	1.5
134.03758	1.3
135.04538	4.1
137.02473	2.5
141.03409	1.5
145.02972	2.7
146.03787	1.2
147.04530	4.7
149.02406	2.8
156.02225	1.6
157.03001	2.3
158.03717	3.3
159.04530	19.5
164.01167	1.4
167.03566	1.9
167.05008	1.3
173.02466	3.9
174.03146	1.6
175.04129	1.6
183.04543	1.6
185.02455	25.9
185.05975	1.5
186.03210	5.5
193.06520	1.7
196.05365	1.2
197.06116	3.2
199.07695	2.3
209.06082	6.9
213.05605	1.5
221.06055	4.0
224.04744	1.7
225.05547	10.1
226.06442	1.4
227.07094	2.3
235.03996	1.5
237.05626	3.2
239.03548	1.2
239.07204	2.0
241.05193	2.6
243.06612	3.1
249.05646	4.9
250.06232	2.9
251.03464	2.5
252.04199	3.6
253.05077	11.6
254.05815	4.4
255.06564	3.0
264.04294	1.6
265.05118	4.7
266.05792	2.1
267.06662	5.6
269.04654	3.2
269.08170	12.9
271.06158	5.7
277.05075	10.3
278.05563	1.6
279.02966	6.7
280.03790	7.7
281.04617	5.6
282.05273	2.5
283.06204	3.4
285.07571	2.0
287.05609	1.8
293.04504	8.7
294.05200	2.8
295.06161	24.2
296.06427	1.5
297.04114	6.2
299.05820	1.6
301.07376	3.3
309.04013	3.1
311.05563	2.0
313.07175	10.6
314.04294	1.7
319.02420	1.3
321.04053	18.7
322.04395	4.5
323.05499	2.1
327.05029	4.7
329.06805	6.3
333.06192	1.7
339.05096	51.2
340.05405	4.7
341.06650	21.1
343.04605	2.3
353.06570	1.4
357.06192	3.4
359.07809	5.3
371.04016	1.4
385.05716	3.5
387.08823	1.3
389.05151	2.9
402.08530	1.4
403.06729	70.9
404.07175	3.2
421.07721	4.8
519.09174	1.3
533.11621	1.7
655.13867	1.3
666.56470	1.4
708.75812	1.3
743.12720	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	743.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.6
65.81316	0.5
68.99851	0.7
70.15689	0.6
72.99335	4.3
80.73251	0.6
81.03460	1.0
91.01851	0.7
93.03473	0.7
95.01399	0.8
95.05013	0.6
98.22637	1.1
107.01385	2.1
107.08498	0.6
108.02203	4.3
109.02963	36.6
111.00909	0.9
119.01358	0.8
121.02977	1.7
123.00913	3.3
123.04540	3.4
124.01665	1.2
129.03473	0.6
132.02184	0.6
133.02945	1.7
134.03741	1.5
135.00900	4.5
135.04533	11.3
136.01663	2.4
137.02463	2.0
145.02994	1.2
147.00757	0.7
147.04544	3.2
149.02480	1.4
150.03207	0.6
151.04021	2.3
157.02959	4.6
159.04523	2.5
161.02457	2.4
162.99001	1.4
163.00389	29.3
164.01170	100.0
165.01563	2.1
167.03511	1.0
173.02414	3.3
175.04083	0.7
179.03529	4.9
185.02446	59.4
186.03209	9.0
190.99872	2.7
193.06609	1.4
195.03009	4.3
195.04550	1.0
197.04527	4.3
205.06598	0.7
206.02185	1.2
209.06052	1.6
219.04597	1.5
220.05267	1.6
221.06100	3.6
223.02489	47.1
224.02773	0.9
225.05508	0.9
229.01401	1.1
232.05299	0.7
233.01076	0.8
236.04776	0.8
236.96269	0.6
237.05598	2.2
239.07109	1.2
247.04016	2.0
248.04776	2.8
249.00468	2.4
249.05580	9.9
251.03484	2.6
252.04254	1.1
253.05109	1.2
263.03516	1.0
264.04257	0.9
265.05347	3.7
267.06677	3.3
269.08286	1.2
271.14713	0.5
275.03461	1.3
276.04257	2.1
277.05090	10.4
278.02313	0.9
278.05481	1.1
279.03027	17.9
280.03577	2.4
281.04218	0.7
291.03015	0.7
292.03787	1.3
293.04568	15.6
294.05020	1.3
295.06137	37.7
296.06528	1.6
303.03033	1.8
304.03909	0.8
313.07202	1.2
319.02402	2.1
320.03366	0.9
321.04053	85.4
322.04373	4.7
335.21967	0.6
339.05096	14.0
340.05249	1.0
386.95868	0.6
403.06760	2.0
441.06149	1.1
469.05978	1.2
519.09326	10.7
520.09192	0.6
545.07544	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
61.94151	0.5
69.20305	3.8
71.01353	0.6
72.99355	1.3
77.03977	3.5
89.03986	1.6
93.03481	1.4
95.05040	7.7
105.03474	22.9
108.02205	0.5
109.02966	17.0
109.03703	1.1
117.03510	1.5
121.02981	2.7
123.04560	2.8
124.65087	0.5
132.02188	0.9
133.02972	100.0
134.03275	1.3
135.03606	1.0
135.04544	9.6
137.02498	3.3
140.96690	0.5
145.03015	1.4
148.01758	0.8
149.02455	2.6
150.03215	0.7
151.04047	0.9
158.77385	0.6
159.04578	1.0
161.02473	5.3
163.00443	0.6
164.01157	0.8
177.01956	70.4
178.02336	1.2
179.03522	9.5
185.02431	1.0
193.06721	0.8
207.02977	3.6
211.07616	1.4
221.06120	1.6
222.06819	0.6
225.04071	4.6
235.23170	0.6
237.05592	0.6
239.07208	2.5
249.05550	0.6
250.06400	1.9
253.05009	0.6
266.05814	1.0
267.06647	10.4
268.07043	0.6
272.32797	0.5
295.05981	0.8
295.53598	0.6
319.33624	0.5
321.04120	0.9
339.05243	0.8
358.09384	0.9
362.40369	0.6
387.07437	0.7
723.35175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99299	1.4
81.03456	0.8
85.43111	0.7
91.01890	1.1
92.33191	0.9
93.03465	1.7
93.53020	0.8
101.03415	0.8
107.01473	0.9
108.02189	3.9
109.02963	100.0
110.03262	2.1
119.04926	1.1
121.02944	4.1
123.04536	3.2
124.01640	1.5
129.03497	1.1
133.02904	2.0
135.04550	1.5
137.02409	1.1
145.02988	4.2
146.03769	1.2
147.04538	8.9
149.02470	2.0
151.03990	2.2
157.02951	1.8
158.03693	3.6
159.04533	24.4
161.02452	3.3
163.04112	1.3
167.03513	3.0
167.04913	1.0
173.02429	2.7
174.03249	1.1
175.04005	1.2
177.02011	3.8
179.03481	1.6
183.04610	1.3
185.02470	20.8
186.03226	5.5
191.03613	1.0
193.06616	1.1
196.05296	1.3
197.06113	2.4
198.03090	0.9
203.03519	3.6
207.02943	1.8
209.04420	1.2
209.06113	6.3
210.06546	1.1
211.03983	2.1
212.04884	1.6
215.03572	1.2
219.04623	1.4
220.05293	1.0
221.06056	2.5
224.04811	2.4
225.05536	6.9
226.06271	1.2
227.03542	1.7
227.07301	2.0
228.04295	3.5
233.08435	1.6
235.04012	3.3
236.04752	2.3
237.05708	6.0
238.06343	1.5
239.03542	1.2
239.07190	2.8
240.04224	2.7
241.05043	2.8
243.06563	1.8
248.04691	1.2
249.05524	4.3
250.06192	1.1
251.03534	3.0
251.07254	1.1
252.04228	4.0
253.05077	11.5
254.05846	4.9
255.06677	2.2
256.03815	2.6
263.03485	3.0
264.04224	1.5
265.05060	5.5
266.05826	1.4
267.06613	7.1
268.03745	1.1
269.04996	1.4
269.08200	15.8
271.06165	3.7
276.04407	1.1
277.05182	6.1
279.03064	3.7
280.03757	6.9
281.04590	16.9
282.05096	1.8
283.06131	1.6
284.03183	4.3
285.07703	1.9
293.04544	3.6
295.06119	20.4
296.06635	1.3
297.07486	2.1
299.05609	5.6
309.03986	3.2
311.05652	3.9
312.06454	1.0
313.07211	24.3
314.04169	2.7
314.07578	1.3
315.05121	2.3
316.05988	2.3
321.04077	7.2
323.05594	4.5
324.06244	1.4
327.05167	6.5
329.06717	2.8
331.08109	1.6
339.05109	54.0
340.05420	3.0
341.06656	18.8
342.07001	1.2
357.06131	3.8
358.09390	2.8
359.07788	16.3
360.08163	1.5
371.04141	1.7
385.05716	8.0
389.05136	1.2
402.08395	1.9
403.06741	85.0
404.06931	4.7
421.07431	1.3
463.69342	0.9
637.13550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78672	0.4
63.89225	0.4
69.18810	0.4
72.99316	2.0
79.53875	0.5
83.65896	0.4
88.79259	0.4
91.08560	0.4
91.69707	0.4
108.02186	1.3
109.02970	21.3
110.03296	0.4
121.02975	2.2
123.04520	1.0
133.03008	0.7
135.04575	1.5
145.02939	1.2
146.03825	0.6
147.04509	2.4
148.01695	0.8
149.02486	0.9
151.04001	0.8
157.02962	1.4
158.03775	0.7
159.04538	4.9
161.02550	0.5
162.03168	0.5
164.01184	0.5
173.02454	1.7
174.03183	0.6
175.04008	0.6
177.02000	1.5
179.03598	0.7
183.04518	1.0
185.02455	13.4
186.03163	2.0
187.03926	0.6
191.87521	0.5
193.06493	0.7
195.04582	0.7
196.05356	0.7
197.04512	1.1
197.06119	1.5
199.04143	0.4
203.03430	0.7
207.02942	2.2
208.05238	0.6
209.06116	2.6
210.06850	1.0
211.04024	1.4
212.04866	0.8
213.01996	0.4
213.05580	0.7
219.04755	0.6
220.05296	0.7
221.06125	0.8
221.80687	0.4
225.05589	4.6
226.06282	1.5
227.03578	1.4
227.07178	0.9
228.04297	2.1
235.04060	1.2
236.04767	3.8
237.05563	3.2
239.03593	1.9
239.07092	0.8
240.04324	1.4
241.05153	1.9
243.06607	1.1
248.04842	0.6
249.05634	1.2
251.03572	0.8
252.04263	1.2
253.05098	7.3
254.05891	7.9
255.02995	1.3
255.06628	1.1
256.03699	1.9
257.04535	0.8
263.03543	0.8
264.04276	3.7
265.05157	3.4
266.05658	0.7
267.03085	1.4
267.06662	1.9
269.04712	1.4
269.08246	4.2
270.05270	2.9
271.06116	1.7
272.63959	0.5
277.05029	2.3
279.03168	2.2
279.06439	0.6
280.03732	2.7
281.04562	10.3
282.05295	2.7
283.05966	1.0
284.03329	1.0
285.07675	1.5
293.04562	3.1
295.06158	13.0
296.06503	1.2
297.07590	1.1
298.04892	0.7
299.05667	2.3
309.03839	0.6
311.05606	1.0
313.07245	11.3
314.04395	4.5
315.05139	4.3
316.05841	0.7
319.02762	0.6
321.04068	9.3
322.04300	0.8
323.05536	4.0
327.05048	2.3
329.06659	8.0
331.08331	1.6
333.06113	1.5
339.05121	8.7
341.06689	20.2
342.07098	1.0
357.06104	1.2
359.07745	4.6
367.04663	0.8
385.05655	5.5
389.05185	1.9
403.06741	100.0
404.07104	4.5
405.08258	1.2
405.35294	0.5
421.07877	1.4
515.08136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
71.17433	1.2
72.99316	100.0
90.82962	1.2
101.38024	1.5
105.35410	1.3
109.02946	5.3
119.04994	2.3
121.02966	4.3
123.00911	2.9
123.04517	4.7
129.03476	1.4
133.02971	9.0
134.03746	1.8
135.04527	11.5
137.02490	2.4
138.03223	3.8
145.02982	6.2
146.03751	22.9
147.04541	54.5
149.02406	1.6
150.03218	5.3
151.03979	3.8
159.04527	11.9
161.02466	21.0
162.03246	9.4
163.04007	12.0
164.04745	2.1
165.01955	1.8
173.02426	4.2
175.03955	4.0
179.03543	4.5
186.69791	1.4
190.02731	17.5
191.03517	21.7
197.04536	2.6
203.03564	1.6
209.06038	1.2
210.06665	1.3
220.03705	1.3
225.05608	7.8
227.07138	1.9
229.01324	1.7
229.04379	1.4
235.06049	1.7
237.05621	4.7
243.06638	1.3
246.20866	1.3
249.62579	1.4
253.05075	10.0
254.05632	1.6
255.06580	5.1
257.04672	1.8
265.05133	6.2
267.06500	1.7
271.06186	12.3
281.04517	7.6
282.05228	2.4
283.06116	18.6
286.08487	9.8
293.04617	1.9
295.06049	3.6
296.06760	3.5
297.07550	3.2
298.05322	2.3
298.08493	15.7
301.10843	31.6
309.04047	5.8
311.09222	3.4
313.07492	1.5
313.10831	35.0
326.04337	1.9
328.09341	2.5
329.10324	2.2
331.11914	7.3
332.11957	1.7
339.08704	6.6
341.06586	3.8
342.07263	3.6
357.09824	58.7
358.09995	3.6
375.10858	93.3
376.11093	3.9
383.07858	6.4
401.08820	46.8
401.13315	1.1
402.08884	1.7
419.09857	79.6
420.10141	4.1
461.10898	1.4
521.12592	1.6
537.14185	2.6
563.11816	1.5
581.14575	22.9
582.13733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72034	0.4
59.01122	0.6
59.01388	5.1
67.01912	0.6
69.10960	0.9
69.11358	2.6
72.99321	0.6
95.04994	0.8
96.95980	0.5
107.03822	0.5
108.04548	0.8
109.02934	0.6
115.30332	0.4
116.92873	0.4
120.04552	1.6
121.05338	2.3
122.06136	5.8
133.02948	1.6
134.06149	3.6
135.04527	2.5
135.06934	0.8
136.07701	9.0
137.47733	0.4
160.06371	0.6
161.02457	2.8
161.07222	1.1
162.05542	0.5
171.11778	1.9
177.01817	0.6
179.03506	1.2
190.05106	1.6
197.04599	0.5
198.09247	1.7
199.10040	1.3
214.12376	11.8
215.12776	0.4
226.07471	0.6
227.08316	2.1
228.09064	0.5
229.09842	4.0
230.11909	3.7
237.05594	0.5
241.09850	6.0
242.10629	16.6
243.10732	0.5
256.12115	0.7
257.12985	83.0
258.13248	4.1
267.06573	0.4
283.10892	0.7
287.82059	0.4
301.11957	100.0
302.12268	5.3
315.19809	1.1
333.20767	3.4
337.11996	1.3
358.09656	0.5
397.14056	5.1
398.14603	0.5
495.26315	0.7
495.36603	0.5
537.27222	2.0
553.36182	0.4
606.48853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52748	39.3
73.10110	41.8
80.80883	41.2
86.89474	40.3
95.53027	42.1
98.21853	72.2
109.53964	56.2
160.66635	41.4
167.65085	41.8
211.13408	100.0
220.83440	44.0
222.30887	55.1
277.21851	63.6
333.71155	41.7
420.52548	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65093	0.6
59.91237	0.6
70.93664	1.1
72.99319	29.4
93.03459	1.3
109.02979	3.2
121.02972	7.6
122.03746	1.0
123.04543	20.4
123.57741	0.6
124.83337	0.6
131.40108	0.6
132.02194	1.3
132.46030	0.6
133.02969	16.1
134.02452	1.0
134.03737	1.4
135.03436	1.1
135.04539	14.1
136.04033	1.9
146.02495	4.5
147.03297	2.4
147.04517	0.8
148.04053	5.1
149.01404	0.6
149.02463	3.7
157.33884	0.6
160.04036	2.7
161.02467	42.6
162.01851	1.1
162.02989	1.0
163.02705	1.4
163.94461	0.6
165.04309	0.6
175.02728	2.6
175.04062	0.7
176.03520	1.0
178.05099	3.4
179.02063	0.9
179.03529	8.1
186.01988	0.8
190.01454	0.8
190.05180	1.0
191.02261	1.9
192.03075	1.1
214.05113	0.9
224.07195	0.7
231.85468	0.7
239.05917	1.8
240.06674	1.3
242.04698	0.8
251.05917	1.5
252.06918	1.2
253.05147	1.0
253.07431	1.2
254.04764	0.8
255.05388	3.0
256.06177	1.4
257.06934	7.2
258.07776	0.9
264.06720	0.9
267.05441	0.7
268.06119	4.9
269.06924	6.5
270.04935	0.9
270.07712	6.0
272.09265	13.1
280.06299	4.3
281.04364	1.1
281.07031	10.3
282.07709	7.5
284.09442	1.5
296.09320	4.5
297.06519	3.7
298.07224	1.0
301.06024	0.9
306.35825	0.7
308.05661	6.1
310.07224	1.4
312.08908	6.5
325.06039	1.7
326.06851	2.2
328.08310	1.0
334.09384	1.2
339.05157	0.8
340.08307	18.0
341.07025	1.0
346.09335	13.9
347.09424	1.1
353.23691	0.7
356.07773	2.9
358.09351	100.0
359.09778	6.6
368.07916	0.8
384.07227	3.2
402.08322	42.0
403.06613	6.4
420.09494	6.0
421.08069	2.5
508.12549	20.8
509.12952	1.8
515.56018	0.7
520.12512	10.5
521.12970	0.7
538.13910	3.6
546.10651	2.6
564.11511	1.2
577.04608	0.7
582.12689	14.8
583.12256	2.6
756.90631	0.7
758.27130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
61.65080	0.6
61.98829	0.7
69.48325	0.6
71.01382	0.8
72.98906	1.5
72.99317	30.8
93.03471	1.3
96.96008	1.5
101.54874	0.7
105.03424	0.8
108.02209	0.7
109.02969	6.8
121.02975	6.8
122.03733	1.2
123.04546	19.9
132.02225	1.2
133.02982	20.1
134.02477	0.8
134.03745	2.3
135.03467	0.9
135.04549	19.6
136.04065	1.5
137.02493	0.7
145.02943	1.7
146.02525	3.3
147.03276	2.4
147.04396	0.9
148.04074	3.1
149.02490	3.0
150.03296	1.2
151.04044	1.2
159.03253	0.9
159.04497	1.1
160.01675	1.8
160.04074	2.7
161.02464	43.1
162.02965	1.3
163.02780	1.8
163.04041	0.6
164.03493	1.0
165.05629	0.7
169.06606	0.6
174.05701	0.7
175.02724	2.6
175.04065	2.0
176.03511	1.0
178.05103	3.2
179.03517	9.7
185.02386	3.0
190.05060	0.9
191.02232	2.0
192.03094	1.0
193.05098	1.0
195.06615	0.7
197.04587	1.9
209.06198	0.6
209.08206	0.9
216.69679	0.7
223.04022	0.7
234.04166	0.7
235.04005	2.7
239.05902	1.8
240.06760	0.9
241.07057	0.6
248.04739	0.6
249.05580	0.8
251.05962	1.9
252.06943	1.1
253.05116	1.5
254.04700	1.7
255.05533	2.1
256.06134	1.5
257.04611	1.0
257.06955	4.5
262.05103	0.7
263.03714	1.0
264.04080	0.8
264.06754	1.1
266.05093	0.6
267.05487	1.2
268.06064	5.2
269.06921	7.2
270.07660	5.4
272.09296	12.9
279.02951	1.1
280.06262	3.8
281.04376	1.3
281.07028	9.6
282.07721	9.1
284.09381	2.6
293.04611	1.0
295.06177	6.5
296.06198	1.2
296.09271	5.0
297.06586	3.0
298.07556	0.8
301.05994	1.1
308.05692	4.3
310.07184	1.4
312.08862	7.9
313.07050	1.0
321.03998	1.5
323.05646	1.2
324.08762	1.0
325.05981	2.5
326.06729	2.4
328.08231	0.8
334.09473	1.6
335.02060	1.2
336.02148	0.8
337.09238	1.7
338.09900	1.7
339.05127	1.5
340.08279	18.5
341.06589	3.1
343.07108	0.8
346.09326	14.3
349.03488	1.0
351.04871	0.9
356.07794	2.1
358.09351	100.0
359.09753	5.0
367.04654	2.1
368.07925	1.7
374.08698	0.9
384.07141	4.9
384.11050	0.6
385.05676	2.0
402.08328	40.5
403.07660	2.6
410.08618	0.9
420.09384	6.1
461.84241	0.7
485.08304	0.7
493.11826	0.8
508.12552	15.2
509.12979	1.3
520.12445	9.7
521.12866	1.5
524.11078	0.7
538.13281	4.1
546.10461	2.7
551.08801	0.8
564.11664	1.8
565.10071	2.8
582.12634	14.6
583.12164	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21181	0.8
72.99303	4.1
87.35037	0.7
108.02194	1.5
109.02966	42.2
110.03294	1.1
121.02989	1.4
123.04501	2.1
135.04533	7.3
137.02446	1.1
145.03043	1.5
147.04515	1.8
149.02499	1.4
151.03993	1.1
157.02911	2.1
158.03810	0.7
159.04561	4.1
161.02470	1.3
173.02461	2.7
175.03993	2.2
179.03555	3.5
184.01675	0.8
185.02460	31.7
186.03250	5.6
193.06602	0.9
197.04597	3.6
203.03571	1.5
220.05247	1.0
221.06123	2.3
224.04922	1.3
225.05589	2.6
226.34134	0.7
229.01604	0.8
232.05222	0.9
237.05565	1.6
239.07123	1.6
247.04227	1.5
248.04747	1.9
249.05606	6.5
250.02693	0.8
251.03473	3.8
252.04178	2.0
253.05013	1.7
264.04285	1.4
265.05072	4.7
266.05939	1.0
267.06650	3.9
269.08328	0.7
275.03415	1.0
276.04257	1.4
277.05087	10.6
278.05646	1.5
279.03061	13.5
280.03711	6.1
293.04587	10.4
293.07608	1.1
295.06149	44.6
296.06482	2.7
303.02982	3.2
313.07333	2.0
321.04071	100.0
322.04428	5.6
339.05142	30.6
340.05606	2.2
359.69366	0.8
450.31604	0.7
475.67050	0.8
487.16943	0.8
493.11276	3.4
503.10059	1.0
519.09406	31.4
520.10040	4.3
738.93103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77327	0.7
72.99320	4.3
80.21590	0.6
83.02344	0.6
92.08283	0.7
98.22675	1.9
108.02193	1.1
109.02966	47.1
121.02940	1.5
123.04525	2.0
134.03761	0.8
135.03633	0.9
135.04553	10.5
137.02525	0.8
145.02969	1.7
147.04518	2.6
149.02454	1.0
157.02950	2.4
158.03731	1.4
159.04532	5.5
160.01715	0.7
161.02493	0.9
173.02449	4.1
175.04018	1.4
179.03522	3.3
181.05064	1.1
185.02460	38.4
186.03214	8.3
193.06662	1.0
195.04474	0.6
197.04565	2.7
203.03539	2.6
204.05757	0.8
209.06126	1.2
220.05299	0.9
221.06082	4.7
224.04910	1.3
225.05594	2.7
229.01274	0.9
229.05922	0.7
232.05212	1.0
236.04924	1.0
237.05592	2.3
239.07253	1.7
247.04077	1.8
248.04817	3.0
249.05583	8.5
251.03418	5.8
252.04276	2.0
253.05046	1.6
265.05112	6.8
266.05746	1.5
267.06662	3.2
275.03506	2.0
276.04285	2.0
277.05093	12.4
278.05597	0.8
279.03021	16.1
280.03854	5.3
293.04639	12.0
294.05225	1.5
295.06131	49.2
296.06583	3.4
303.03006	2.5
313.07236	1.8
319.02588	1.8
321.04071	100.0
322.04404	7.0
339.05136	28.5
339.09296	1.1
340.05426	2.5
431.64603	0.8
455.01123	0.7
493.11356	4.1
503.09595	1.7
519.09430	33.5
520.09778	2.8
538.63049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90166	0.7
66.91450	0.7
69.23842	3.3
72.99324	3.9
73.97873	0.7
79.23790	0.8
87.86163	0.7
98.21901	1.7
108.02142	1.5
109.02960	41.1
110.70482	0.7
121.02956	1.1
123.04550	2.3
131.58151	0.7
135.04541	8.3
141.03362	0.8
145.02975	1.3
147.04523	2.2
149.02464	1.2
157.02982	2.2
158.03751	1.1
159.04536	5.3
173.02394	4.4
175.04030	2.6
179.03461	2.7
185.02454	32.6
186.03244	7.2
189.36983	0.8
193.06625	1.7
197.04568	3.4
203.03600	2.2
204.05908	1.1
209.06139	1.3
221.06117	3.5
224.04701	0.9
225.05646	1.3
229.01460	0.9
235.28773	0.8
236.04768	0.8
237.05565	1.8
239.07079	1.8
247.04079	1.5
248.04749	3.0
249.05603	7.2
251.03516	4.7
252.04272	1.4
253.05144	1.3
264.04083	1.0
265.05045	4.6
267.06659	2.6
275.03558	1.0
276.04187	1.0
277.05048	11.2
278.02225	1.2
278.05325	1.0
279.02994	14.1
280.03696	4.3
293.04578	10.3
295.06134	46.4
296.06488	4.3
303.03033	1.5
313.07111	2.5
319.02487	1.0
321.04050	100.0
322.04419	7.5
339.05115	24.2
340.05557	1.3
354.29446	0.9
493.11523	5.1
494.11053	0.8
519.09332	31.3
519.17004	1.7
520.09540	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	745.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.0
61.98830	1.4
70.14984	0.5
71.57519	0.4
72.99314	5.7
73.02919	0.6
73.99628	0.5
91.01919	0.8
96.96040	0.8
98.22717	1.1
100.61178	0.5
106.06660	0.6
108.02177	1.7
109.02966	48.7
110.03316	1.0
118.65424	0.5
119.01402	0.6
121.02950	2.0
122.06143	1.1
123.04524	2.3
132.02106	0.6
133.02962	3.3
134.03429	0.4
134.06165	2.7
135.04544	5.0
137.02454	0.9
145.02956	1.7
146.03766	0.6
147.00824	0.6
147.03444	0.6
147.04527	1.7
148.01668	2.3
149.02475	1.8
151.04013	0.6
152.07173	0.6
157.02977	1.4
158.03700	1.0
159.04523	5.0
161.01256	0.8
161.02463	7.1
162.02788	1.2
173.02452	2.3
174.03285	0.9
174.93552	0.6
177.01956	0.8
179.03511	4.2
180.06686	0.8
185.02455	23.5
186.03242	7.9
188.07208	1.6
197.04552	1.8
197.06145	0.6
207.03021	2.1
208.05327	0.9
209.06087	1.6
221.06158	1.8
223.07587	0.9
224.04803	2.7
225.05602	5.2
225.10254	0.7
227.11835	0.7
235.04115	0.7
236.04860	1.0
237.05547	0.6
239.07251	2.6
247.29001	0.5
248.04781	1.2
249.05544	5.7
250.06377	1.9
251.03458	1.7
252.04381	3.6
253.05173	0.8
253.09857	0.9
265.09860	0.5
266.05811	2.4
267.06699	8.0
267.11465	1.4
268.06616	0.7
269.08264	1.9
272.09125	0.6
276.04425	1.1
277.05099	11.0
277.09756	0.7
278.05652	0.7
279.03000	4.7
279.07980	0.7
279.11249	0.6
280.03683	7.6
281.04236	0.7
282.07236	0.7
293.04633	2.4
295.06155	39.0
295.10849	2.4
296.06403	2.4
307.04840	1.6
307.10959	2.5
308.05289	1.4
313.07080	1.1
321.04163	4.4
326.07043	0.6
331.07983	0.7
339.05109	100.0
340.05261	6.9
341.08377	0.8
346.09262	1.2
358.09317	4.9
359.09814	4.5
384.07339	2.6
385.07578	2.1
397.14194	0.9
402.08304	1.6
403.08386	1.2
404.49652	0.5
442.17801	1.5
480.08743	0.5
493.11264	0.7
502.19815	5.3
509.12875	1.4
521.12695	1.5
546.10681	1.1
546.18927	13.5
547.10913	0.6
578.21588	5.4
583.12628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01203	0.5
58.07216	0.6
65.57433	0.5
71.40726	0.6
72.99316	4.7
106.50397	0.5
108.02166	1.7
109.02957	44.0
110.03243	0.8
113.03974	0.8
121.02964	1.2
123.04516	1.7
133.02873	0.7
134.03717	0.9
135.03619	0.9
135.04552	11.3
145.02963	1.7
147.04503	2.1
149.02408	1.2
149.76698	0.5
157.02956	2.5
158.03687	0.8
159.04538	5.9
161.02441	0.8
165.00470	0.5
165.89490	0.6
166.02673	0.8
173.02425	4.4
175.04044	1.6
179.03537	3.3
181.05084	0.9
184.01610	0.8
185.02455	34.4
186.03214	6.6
188.28671	0.5
193.06584	1.6
197.04547	3.4
197.06154	0.8
203.03467	2.2
204.05910	0.6
208.05194	0.7
209.06116	1.6
214.02321	0.6
219.04637	0.7
220.05266	0.7
221.06119	2.8
223.03952	1.2
224.04816	1.0
225.05620	2.2
229.01535	0.9
232.05301	1.8
237.05560	1.5
239.07213	1.5
240.28865	0.6
247.04019	2.0
248.04739	2.5
249.05569	7.7
250.06262	1.2
251.03546	5.0
251.05852	0.6
251.07253	0.9
252.04312	2.2
253.05127	1.8
260.04752	0.8
263.03659	0.7
264.04202	1.5
265.05032	5.4
266.05783	1.2
267.06659	3.6
275.03442	1.3
276.04318	2.3
277.05069	11.1
278.02448	0.6
278.05740	1.5
279.02997	15.1
280.03729	5.3
293.04596	12.3
294.05304	0.9
295.06137	49.1
296.06409	2.9
303.03000	2.3
313.07153	2.5
319.02490	0.7
321.04053	100.0
322.04349	5.7
332.57559	0.6
339.05103	25.3
340.05295	1.5
475.10147	0.8
493.11606	4.1
519.09351	33.3
520.09644	3.5
539.75183	0.6
546.24579	0.5
550.98761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98855	1.1
69.91303	2.4
71.97298	1.0
72.99318	12.5
73.58126	1.4
81.25228	1.0
89.21140	1.0
91.44604	1.0
91.79713	1.1
94.28898	1.1
96.42751	1.1
98.22592	1.6
108.02159	1.8
109.02962	71.6
110.53596	0.9
117.03522	1.4
121.02975	3.2
123.04536	4.5
133.02979	3.3
134.33513	0.9
135.03603	1.9
135.04541	16.9
137.02528	1.0
140.46054	1.0
145.02975	2.6
147.04517	3.9
149.02480	1.4
151.85228	0.9
157.02966	4.6
158.03801	1.5
159.04536	12.9
161.02489	5.9
162.02805	1.3
173.02402	7.7
174.03183	1.0
175.04059	4.3
179.03510	7.4
185.02449	63.1
186.03207	8.6
187.03851	1.3
197.04549	4.2
203.03505	5.5
221.06096	1.7
224.04794	1.6
225.05603	1.6
226.24060	1.2
228.19029	1.0
239.07166	1.7
248.04733	1.5
249.05576	3.8
251.06953	1.3
253.05118	3.4
265.05145	2.3
267.06570	3.6
269.08096	1.3
276.04294	1.2
277.05005	5.1
279.02863	2.4
280.03683	2.1
293.04712	3.4
295.06134	100.0
296.06430	7.1
313.07129	6.5
321.04025	12.4
331.04089	1.1
339.05142	3.6
346.09134	1.3
347.09885	1.2
358.09277	9.5
359.09641	5.8
366.63113	1.1
402.08264	2.8
403.08325	3.6
493.11584	8.2
509.12698	2.3
519.09479	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	745.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69471	0.6
72.99324	5.3
81.25321	0.6
107.05029	0.8
108.02230	1.5
109.02963	50.4
113.04000	0.7
121.02984	1.1
123.04518	1.8
133.02988	1.8
135.04541	10.3
137.02440	1.6
138.03282	0.9
145.02966	1.6
147.04507	2.1
149.02438	0.9
157.02977	2.6
158.03664	0.9
159.04507	5.6
161.02449	1.0
166.02856	0.6
173.02446	2.8
174.03201	0.9
175.03978	1.5
177.01958	1.3
179.03549	3.1
185.02454	34.4
186.03217	7.1
187.03918	0.8
193.06622	2.2
197.04553	3.7
203.03569	2.2
204.05762	0.7
209.06081	1.5
210.91603	0.7
213.02042	0.7
220.05353	1.3
221.06139	4.0
223.04010	1.6
225.05582	2.9
232.05357	1.1
236.04765	0.9
237.05589	1.7
239.07210	1.9
247.03984	1.4
248.04822	2.5
249.05551	7.5
250.06206	1.3
251.03572	5.0
252.04182	3.2
253.05048	1.5
260.04968	0.7
264.04276	1.8
265.05072	6.4
266.05722	1.7
267.06607	4.9
269.08063	0.7
269.63855	0.6
275.03543	1.3
276.04300	1.8
277.05051	10.7
278.05582	0.6
279.03015	15.7
279.05945	1.2
280.03824	6.2
292.03775	1.1
293.04611	10.8
294.05145	1.9
295.06143	46.1
296.06522	2.3
303.03046	1.7
313.07248	2.0
319.02496	1.3
321.04062	100.0
322.04428	5.4
339.05106	26.5
339.09286	1.1
340.05505	1.9
493.11316	4.2
494.12286	0.8
503.09799	0.9
519.09351	31.5
520.09723	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	745.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10672	1.1
57.14906	1.0
59.01375	1.6
64.22562	1.1
65.70145	0.9
70.15584	1.0
72.99313	9.4
80.73949	0.9
91.76591	1.0
93.03466	1.3
95.05047	1.0
96.39211	0.9
98.19190	0.9
108.02174	4.0
109.02962	61.1
110.03276	2.7
111.05281	1.1
117.03484	1.2
121.02941	4.3
123.04545	7.6
133.02960	7.1
134.03751	1.9
135.04552	15.1
137.02426	3.4
141.03468	1.3
145.02982	3.4
147.04521	3.4
149.02455	3.5
150.03278	1.9
151.04022	3.8
157.02953	3.1
158.03763	1.1
159.04567	7.8
161.02457	4.4
165.01881	1.2
165.05568	1.6
166.02734	1.5
173.02475	3.7
175.03976	3.3
177.01865	1.6
179.03551	4.7
181.05116	2.4
185.02452	41.0
186.03242	8.3
190.02695	1.4
191.03319	1.1
193.06514	2.2
195.02966	2.7
195.06540	1.4
197.04533	9.0
203.03482	2.2
207.02815	1.2
207.04578	1.2
208.05298	1.3
209.06067	2.9
211.03966	1.4
219.04405	1.3
220.05273	1.4
221.06126	5.6
223.04233	1.4
223.07712	1.2
224.04712	2.2
225.05589	3.5
235.04010	1.5
236.04703	2.1
237.05498	3.5
239.07089	3.2
247.03941	1.3
248.04794	4.0
249.05574	11.0
250.06137	2.4
251.03586	6.0
252.04208	4.6
253.05009	2.5
263.03415	2.6
265.05103	8.3
266.05713	3.6
267.06650	6.7
268.06900	1.4
275.03458	2.9
276.04245	2.8
277.05072	14.9
278.05518	4.0
279.03036	18.4
280.03732	7.8
283.09671	1.1
291.03073	2.3
292.03760	3.3
293.04599	13.2
294.05069	4.9
295.06137	52.7
296.06409	3.0
303.02902	2.0
304.03693	1.2
307.06058	3.4
308.03299	2.9
309.07645	3.7
313.07175	3.5
319.02505	1.4
321.04062	100.0
322.04385	8.2
323.05435	5.9
327.08698	3.4
329.06830	1.1
335.05591	1.2
339.05106	56.6
340.05325	6.0
341.06097	3.0
342.05975	1.5
349.03503	3.3
353.06726	6.6
367.04431	2.3
367.10065	1.7
403.07159	1.1
405.07980	2.9
493.11621	2.5
503.09796	4.3
519.09326	28.9
520.09576	2.8
547.08972	1.9
565.09863	3.0
583.21979	1.2
745.13727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
61.98813	1.9
63.45066	1.3
69.06060	1.2
69.47187	3.3
69.47598	3.0
72.99316	29.3
73.99666	1.8
80.45895	1.3
80.48808	1.4
93.68320	1.3
94.69001	1.2
96.28668	1.6
96.96034	2.4
101.02482	2.1
107.05048	1.6
108.02184	1.9
109.02966	23.8
110.03384	1.3
121.02966	9.8
123.04556	18.2
124.01642	1.5
124.04853	2.6
133.02965	14.2
134.03482	4.3
134.79977	1.3
135.04549	74.1
136.04889	5.0
137.02432	1.6
142.63989	1.4
145.02995	1.8
146.02565	1.5
147.03369	1.7
147.04527	4.5
148.01659	2.3
149.02444	5.0
151.04030	4.1
159.04509	3.9
160.04060	1.6
161.02481	33.9
162.02890	7.8
163.03989	2.2
167.03558	1.6
173.02473	2.4
175.04068	1.8
177.01942	3.3
179.03513	37.3
180.03894	2.0
181.06534	1.5
185.02477	11.5
186.03162	2.4
187.04039	3.8
196.05356	1.7
197.04526	3.3
197.06094	3.3
201.01900	1.8
207.03012	2.6
208.05357	1.8
209.06128	4.0
211.04063	3.2
211.07851	1.4
212.04657	1.7
213.05550	2.2
223.04005	2.5
224.04744	3.5
225.05580	7.2
227.03506	3.9
227.07184	2.1
228.04303	7.8
235.04086	5.1
236.04805	6.1
237.05576	6.2
239.03482	1.9
240.04143	3.1
241.05042	4.0
243.06606	6.2
249.05530	3.0
251.03590	3.5
252.04265	3.0
253.05098	13.1
254.05840	6.9
255.02991	3.5
255.06415	2.5
256.03806	4.3
257.04532	2.4
257.06863	2.3
259.06052	2.7
261.07870	2.8
263.03558	3.7
264.04269	11.9
265.04953	5.2
267.02936	2.2
267.06552	1.7
268.06006	2.0
269.04346	2.3
269.06888	4.8
270.05124	3.2
270.07697	2.6
271.06064	5.4
272.09274	6.9
273.09814	2.7
277.05106	3.9
279.03088	2.8
280.03745	4.8
281.04532	16.1
281.06985	4.5
282.07571	6.0
284.03281	3.0
285.07623	2.7
289.07178	3.3
292.03790	2.2
293.04462	2.7
295.02859	2.1
295.06161	28.4
296.06250	2.6
296.09351	2.8
299.05637	5.4
309.04099	4.1
311.05704	2.9
313.06940	11.7
314.04379	6.7
315.05142	4.7
321.03973	3.2
323.05634	28.1
324.05994	2.2
325.06912	1.7
327.05151	5.2
329.06561	8.0
331.08170	1.6
333.06134	17.0
339.05130	33.3
340.08630	6.8
341.06454	29.1
341.12903	1.4
342.06818	3.0
343.08139	2.6
346.09354	7.2
347.09668	5.6
353.06659	1.7
358.05243	2.6
358.09421	41.4
359.10004	29.0
367.04706	19.6
384.07074	1.7
385.05597	7.1
402.08319	15.5
403.06674	100.0
404.07285	7.2
411.09448	1.6
420.09378	2.1
421.07825	39.5
422.08401	2.3
469.98724	1.4
508.12329	4.9
509.12784	9.8
521.12152	6.1
539.13898	3.0
539.28668	3.7
546.09869	1.7
547.09235	2.4
565.09918	7.6
582.12549	3.3
583.11499	29.5
584.11975	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	745.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.1
65.72195	0.8
69.40904	2.5
71.01380	2.8
72.99316	13.7
81.03484	2.1
83.01353	1.2
85.02996	1.1
89.02455	2.2
89.05120	0.8
98.22636	1.7
101.02449	1.5
103.93410	0.8
105.03439	0.9
109.02966	6.5
113.02497	0.8
121.02946	1.0
122.03725	1.2
123.04556	6.5
133.02986	17.8
135.04533	19.1
135.05510	1.6
135.11832	5.7
137.09747	9.0
150.03258	1.3
151.03989	1.1
161.02464	100.0
162.02834	2.2
165.05591	1.4
177.01900	2.2
178.70050	0.8
179.03528	13.2
179.10789	92.9
180.11115	4.5
185.02429	3.3
197.04567	25.1
205.08717	13.4
206.09146	1.2
223.09798	3.9
267.06769	1.2
277.05066	1.8
279.03134	1.2
293.04581	1.7
295.06293	3.9
311.10477	0.9
321.04041	7.7
339.05219	5.9
359.07751	43.6
360.08081	2.9
385.15070	78.8
386.15479	5.7
481.17966	0.9
488.14606	0.9
503.09909	1.8
558.57953	0.9
745.25684	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
64.24612	0.9
69.70842	2.9
70.17981	0.8
72.99305	3.9
82.95392	0.8
91.01927	1.3
93.03461	0.9
95.01447	1.0
96.96004	2.1
98.21923	1.3
108.02191	5.4
109.02961	81.5
110.03259	1.2
120.02191	1.9
121.02993	1.9
122.03783	1.6
122.06158	2.1
123.00895	1.1
123.04531	8.4
124.01645	1.0
132.02151	1.4
133.02979	3.9
134.03743	3.2
134.06104	2.4
135.04547	5.7
136.01675	45.1
137.02408	3.4
146.03758	4.6
147.04462	2.2
148.01653	10.6
149.02495	5.1
149.06105	1.5
150.03235	9.0
151.04024	28.9
152.01180	0.9
152.07190	0.9
153.05585	8.3
160.01648	1.9
161.02463	10.5
161.06020	1.2
162.03223	2.1
163.02727	1.5
163.04024	21.7
164.01155	5.8
164.04803	3.2
165.01945	3.8
165.05568	1.1
166.02737	41.0
167.03415	3.0
177.01892	1.3
178.02727	6.8
179.03549	5.6
179.07156	3.5
180.06728	1.0
181.05077	55.3
188.07162	1.5
192.30138	1.0
193.05066	11.0
197.04524	2.1
226.06342	1.2
249.03192	1.5
254.05760	1.3
265.05066	4.2
266.05832	1.8
267.06662	2.8
267.11356	1.3
268.07352	1.1
269.08249	1.4
271.06073	1.2
277.04984	1.7
279.06625	1.3
280.07324	1.9
281.08310	1.4
282.05399	5.4
283.06055	1.8
291.06509	1.5
293.04501	4.1
294.05331	1.6
295.05975	1.2
295.10904	2.2
296.06503	1.3
297.07675	8.2
298.08301	1.5
305.08408	1.0
307.10873	1.4
308.06998	7.6
309.07666	2.4
309.11319	1.0
312.10022	5.1
313.07126	1.1
313.10764	1.9
315.08640	1.8
321.04138	1.3
323.09262	13.4
324.09775	0.9
326.07858	1.5
328.09848	1.2
338.07971	1.4
339.05148	2.0
341.10327	3.7
353.10388	6.2
359.07800	1.7
371.11221	3.8
429.13583	5.0
430.14133	1.8
442.17596	1.2
444.15619	2.7
473.16211	2.2
502.19763	6.5
503.17154	7.6
509.14896	1.2
523.16339	1.2
524.16376	1.5
533.18243	100.0
534.18652	7.3
535.15558	5.6
539.28595	1.4
546.18896	12.5
551.19373	7.7
565.17297	9.1
566.17267	1.3
578.21649	6.9
583.18378	6.2
745.25049	80.9
746.25299	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.1
66.70511	0.5
72.92101	0.5
72.99318	2.0
82.54272	0.5
93.03458	3.0
95.05037	0.6
105.03460	0.7
109.02979	0.9
116.53101	0.5
117.03528	0.7
121.02955	4.5
122.03757	13.6
122.04632	0.8
123.04524	2.0
133.02988	4.2
133.70410	0.5
134.03748	0.6
135.04555	4.5
136.01682	11.2
137.02458	1.8
145.02972	0.8
149.02460	12.2
150.03246	89.0
151.00345	2.7
151.04057	12.3
161.02486	5.2
162.03183	0.7
163.04070	0.7
164.04848	3.5
165.05589	100.0
166.02742	7.9
166.05893	3.6
175.04074	1.7
177.01961	1.7
179.03520	1.7
180.04301	5.7
181.05092	9.2
190.06340	1.0
195.06645	97.3
196.06987	2.9
197.04507	1.2
223.06067	0.7
229.01526	0.6
295.06180	0.7
313.07028	0.6
321.03860	0.9
329.10306	1.0
339.04977	1.2
342.11221	1.0
357.09744	1.5
357.13452	7.0
359.07687	1.0
372.12051	1.8
387.14520	24.3
388.14978	1.2
522.13501	0.6
535.20038	2.6
547.13318	1.5
583.22015	18.0
584.21808	1.6
738.48877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36840	0.9
54.03820	1.0
57.03447	0.9
59.01381	3.1
61.98845	9.3
71.01356	1.0
72.99315	3.1
80.61938	1.0
90.55023	1.0
93.03477	5.7
95.05010	1.3
97.47817	0.9
104.87888	0.9
108.02162	1.8
109.02972	4.1
121.02975	15.6
122.03761	19.8
123.00915	1.5
123.04539	4.1
133.02992	8.8
134.03740	1.9
135.04559	15.8
136.00703	1.7
136.01694	22.1
137.02415	4.5
146.03700	1.8
147.04526	1.8
149.02472	28.5
149.06088	2.2
150.03252	97.4
151.00359	4.7
151.04044	26.8
152.01140	1.6
160.05374	1.0
161.02452	10.4
161.06152	1.2
162.03185	2.3
163.03986	3.1
164.04872	7.3
165.05600	100.0
166.02759	15.5
166.05957	3.3
167.03497	3.3
172.05405	1.9
174.03229	1.2
175.00381	1.2
175.04008	4.5
175.07643	1.4
177.01894	2.9
177.05521	3.1
177.06947	1.0
179.03539	3.0
180.04338	6.8
181.05096	21.2
185.02472	1.5
189.05605	2.9
190.02765	1.7
190.06355	6.6
193.05052	1.6
195.06662	60.4
196.06917	1.9
197.04654	2.7
205.05083	2.8
205.08617	1.4
221.08086	1.3
229.01384	1.3
238.75160	1.1
251.13222	0.9
265.05093	1.8
266.05890	1.7
267.06628	2.1
282.05408	1.6
293.04803	1.2
295.06018	2.1
309.07840	1.4
313.07175	1.9
315.08871	2.1
321.04071	2.2
325.07053	1.4
327.08545	1.2
329.10300	3.6
339.05078	3.4
342.11053	1.3
356.12625	2.2
357.09628	5.2
357.13489	9.9
359.07785	2.7
367.05237	1.2
367.10043	2.4
372.12094	3.1
373.13284	2.2
386.13605	1.9
387.14545	51.4
388.14871	4.0
486.44446	1.0
505.18716	4.1
517.18616	2.4
535.19800	68.9
536.20355	7.0
565.20197	1.8
583.22009	35.6
584.22406	3.8
746.98224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36840	0.9
54.03820	1.0
57.03447	0.9
59.01381	3.1
61.98845	9.3
71.01356	1.0
72.99315	3.1
80.61938	1.0
90.55023	1.0
93.03477	5.7
95.05010	1.3
97.47817	0.9
104.87888	0.9
108.02162	1.8
109.02972	4.1
121.02975	15.6
122.03761	19.8
123.00915	1.5
123.04539	4.1
133.02992	8.8
134.03740	1.9
135.04559	15.8
136.00703	1.7
136.01694	22.1
137.02415	4.5
146.03700	1.8
147.04526	1.8
149.02472	28.5
149.06088	2.2
150.03252	97.4
151.00359	4.7
151.04044	26.8
152.01140	1.6
160.05374	1.0
161.02452	10.4
161.06152	1.2
162.03185	2.3
163.03986	3.1
164.04872	7.3
165.05600	100.0
166.02759	15.5
166.05957	3.3
167.03497	3.3
172.05405	1.9
174.03229	1.2
175.00381	1.2
175.04008	4.5
175.07643	1.4
177.01894	2.9
177.05521	3.1
177.06947	1.0
179.03539	3.0
180.04338	6.8
181.05096	21.2
185.02472	1.5
189.05605	2.9
190.02765	1.7
190.06355	6.6
193.05052	1.6
195.06662	60.4
196.06917	1.9
197.04654	2.7
205.05083	2.8
205.08617	1.4
221.08086	1.3
229.01384	1.3
238.75160	1.1
251.13222	0.9
265.05093	1.8
266.05890	1.7
267.06628	2.1
282.05408	1.6
293.04803	1.2
295.06018	2.1
309.07840	1.4
313.07175	1.9
315.08871	2.1
321.04071	2.2
325.07053	1.4
327.08545	1.2
329.10300	3.6
339.05078	3.4
342.11053	1.3
356.12625	2.2
357.09628	5.2
357.13489	9.9
359.07785	2.7
367.05237	1.2
367.10043	2.4
372.12094	3.1
373.13284	2.2
386.13605	1.9
387.14545	51.4
388.14871	4.0
486.44446	1.0
505.18716	4.1
517.18616	2.4
535.19800	68.9
536.20355	7.0
565.20197	1.8
583.22009	35.6
584.22406	3.8
746.98224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93007	0.6
59.01387	27.2
69.49911	2.3
80.05069	3.1
83.95185	0.6
94.06626	0.9
104.05061	1.3
106.06637	6.8
107.03761	1.4
108.04576	3.5
108.08184	0.6
109.02981	0.9
118.06651	0.8
120.08245	0.6
122.06130	11.1
130.06642	1.3
132.04565	1.1
134.06139	25.6
135.04526	2.1
135.06467	0.8
136.07672	3.3
146.06120	3.2
148.04013	1.0
148.07687	2.4
152.07182	5.2
158.06087	1.0
160.04012	2.0
160.07729	1.0
161.02437	2.9
162.05641	1.1
174.05595	2.2
176.07199	0.6
180.06683	7.8
185.02676	0.6
185.62994	0.6
186.05658	1.4
188.07191	13.7
194.08292	1.6
197.10849	0.8
200.07161	0.6
205.74020	0.6
209.10988	0.7
210.07993	1.0
211.08760	2.5
213.21851	0.6
223.08823	1.6
224.09596	1.4
225.10306	3.5
226.11008	0.9
227.11934	5.3
235.08745	1.3
237.10327	2.3
238.07503	1.5
238.51057	0.5
239.11899	2.5
249.10248	2.5
251.08290	2.1
251.11946	2.4
252.09003	2.1
253.09853	6.6
254.10324	1.0
263.08200	1.4
263.11789	0.9
264.09109	3.1
265.09869	3.8
266.10648	1.4
267.11389	4.7
277.09940	5.0
278.10504	1.6
279.07870	2.7
279.11420	4.0
280.08731	0.8
280.11884	0.9
281.09344	1.0
285.12466	1.5
289.09882	1.1
291.07779	1.0
292.08615	2.9
293.09366	4.9
293.12827	1.3
294.10092	3.1
295.06128	0.9
295.10901	22.5
296.11292	2.0
305.09424	3.1
306.10040	1.1
307.10922	16.8
308.11353	1.9
309.08835	1.1
309.12473	1.5
321.08673	1.6
321.12378	1.5
322.13205	0.9
323.10556	1.0
337.11896	0.7
339.05435	1.0
339.09711	1.3
351.09833	0.6
358.15558	1.0
372.17270	1.7
374.18750	2.0
383.12091	0.8
385.10147	0.9
385.14722	0.7
386.15002	1.0
400.16550	2.6
414.18347	3.7
415.18527	0.8
418.17664	1.7
427.15356	0.7
440.16464	1.0
442.17792	13.2
443.18097	1.5
458.17191	1.2
460.18875	2.3
468.15573	1.9
474.20245	0.9
486.16687	3.6
487.17194	0.9
502.19888	41.5
503.20413	4.4
518.19421	3.6
536.20178	1.2
546.18866	100.0
547.19263	16.0
550.21881	1.3
566.05280	0.6
578.21484	46.5
579.21808	8.1
607.25793	1.7
651.24908	2.5
669.25757	4.5
701.28058	3.1
705.56366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	27.3
69.47420	3.7
72.99306	2.5
80.05055	3.8
104.05082	1.4
106.06636	6.1
107.74530	0.9
108.04563	2.8
109.02967	2.1
121.01262	0.9
122.06171	4.4
122.06930	0.9
123.04562	1.8
133.02971	2.2
134.06134	25.9
135.04565	6.3
136.07661	2.9
146.06093	3.3
148.04031	2.4
148.07663	2.1
152.07166	4.4
160.04085	2.4
161.02454	7.5
174.05577	3.2
179.03510	2.5
180.06709	5.6
185.02361	1.3
186.05597	1.4
188.07181	16.0
194.08211	1.3
197.04594	2.4
206.29860	0.9
211.08673	2.4
223.08865	1.3
224.09566	1.1
225.10367	5.4
226.10997	1.3
227.11925	5.4
235.08702	1.2
237.10332	1.7
238.07442	1.6
239.11874	1.9
249.10329	2.3
251.08275	2.0
251.11938	3.3
252.08887	1.5
253.09885	6.2
263.08255	1.3
263.11877	1.4
264.09039	1.5
265.09760	2.5
266.10498	1.3
267.11398	5.6
276.49637	1.1
277.09857	6.6
278.10361	1.9
279.07681	3.8
279.11377	3.7
280.11679	1.0
290.89383	1.1
291.07864	1.3
292.08490	2.0
293.09335	4.4
294.10101	3.2
295.06021	1.3
295.07523	1.6
295.10907	27.2
296.11374	2.0
305.09351	3.9
306.10065	2.4
307.10892	18.0
308.11136	1.1
321.04117	1.5
321.08521	1.9
321.12335	2.7
339.05188	2.5
340.56445	1.1
367.08035	1.8
372.17062	1.3
374.18665	2.3
376.88184	1.0
386.18701	1.0
396.17322	1.2
398.15012	1.2
400.16534	2.1
409.70648	0.8
414.18243	3.6
418.17664	1.5
427.15475	1.1
442.17767	11.3
443.18225	2.1
458.17639	1.1
460.18793	2.9
468.15613	1.9
486.16681	2.4
502.19955	35.2
503.20193	4.0
518.19281	1.8
536.20197	1.1
539.28992	1.1
539.61493	0.9
546.18890	100.0
547.12305	1.8
547.19360	11.7
578.21497	47.5
579.21973	6.7
650.81946	1.0
746.04077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26726	2.1
56.64109	1.7
59.01374	2.3
71.41534	1.9
72.99320	30.8
93.03486	2.8
108.02168	3.3
108.21140	2.1
109.02963	90.7
110.03297	16.5
111.03407	3.0
121.02942	5.9
123.04541	11.2
133.02963	22.7
134.03760	5.8
135.03506	3.3
135.04535	66.9
136.04886	4.0
137.02443	12.8
145.02945	3.0
147.04573	3.7
148.01622	4.3
149.02417	4.6
150.03285	2.6
151.04030	3.8
157.02968	4.9
159.04558	11.5
161.02464	100.0
162.02768	4.5
173.02446	5.1
174.03055	2.8
175.03931	2.7
177.01845	3.3
179.02046	4.0
179.03519	47.8
180.03900	5.5
181.05101	3.1
185.02457	50.4
186.02942	23.0
187.03488	4.2
195.03140	2.0
197.04593	27.9
198.04865	3.0
203.03529	3.0
206.06262	1.9
207.03026	7.3
209.06113	3.8
210.06882	2.5
221.05983	3.6
224.04718	2.5
225.04073	9.5
225.05939	2.7
237.05612	2.8
239.06929	2.8
248.04904	2.5
249.05637	10.7
250.06131	4.5
251.03481	5.0
252.04173	3.9
253.05138	4.0
265.05133	6.1
266.05731	4.2
267.06598	9.9
268.06924	4.9
275.03613	2.5
277.05069	12.7
278.05438	6.1
279.03052	14.8
280.03659	11.6
281.04196	3.5
282.04584	2.3
293.04443	14.1
294.04965	7.2
295.06140	54.7
296.06436	31.1
297.06854	12.9
313.07260	6.0
314.07602	2.7
321.04053	68.8
322.04391	26.5
323.04614	6.3
339.05096	49.2
340.05453	40.9
341.05753	22.1
342.06976	4.5
343.07214	3.4
359.07742	22.8
387.07217	31.7
403.06668	2.6
519.09277	18.7
520.09760	9.0
521.09607	2.5
549.10840	9.5
566.10291	2.7
567.10883	3.8
659.29645	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	747.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53719	0.6
59.01379	1.5
61.98827	1.1
64.24393	0.6
69.08447	0.7
69.82822	2.1
72.99316	13.8
76.31773	0.5
77.95113	0.6
80.96106	0.7
82.95383	0.7
89.04003	0.9
91.05554	0.6
93.03481	1.4
96.96028	2.0
98.22573	1.3
101.02507	0.8
107.05046	1.6
107.51285	0.6
109.02986	3.7
117.03468	1.9
121.02995	3.8
123.04533	4.1
125.13043	0.7
133.02982	10.6
134.03770	7.3
135.04544	100.0
136.04861	2.7
137.02464	2.7
138.03249	1.3
145.03004	0.6
147.00870	0.8
149.02464	5.1
150.03214	2.0
151.04018	6.4
153.00182	0.9
154.00867	1.0
155.01772	1.0
161.02464	44.0
162.02823	1.8
166.02736	1.9
174.73247	0.6
176.01147	1.4
177.01947	2.1
178.02753	1.5
179.03513	21.9
180.03821	1.1
180.99680	2.4
181.05090	5.0
183.01236	2.1
185.02547	1.1
186.02965	0.7
193.01454	1.6
195.03030	1.7
197.04568	7.5
221.06033	0.7
239.07219	1.8
253.05023	0.9
265.04996	0.9
267.06638	1.2
268.07285	0.7
281.04510	0.9
282.05429	0.7
283.05969	1.0
283.58942	0.7
287.03708	0.8
293.04706	1.3
295.06219	1.2
296.06583	0.8
311.05704	2.9
313.07358	1.0
321.04059	2.2
323.05688	1.1
324.06180	0.7
325.06488	1.1
329.06543	1.4
330.99481	0.7
339.05124	18.1
340.05481	1.9
341.06573	2.9
342.07016	1.0
343.08093	1.9
355.04614	1.7
357.06296	1.6
359.07837	6.2
361.09259	4.0
369.06042	2.7
378.87405	0.7
386.08981	1.0
387.07205	21.1
405.07837	1.0
423.03922	3.4
423.09360	1.8
429.09558	0.8
430.10413	1.0
473.09055	2.5
489.51318	0.7
491.09845	10.1
492.10306	1.6
517.07910	0.7
519.09412	4.2
523.12256	2.3
549.10309	3.5
567.11310	2.2
585.06738	4.5
585.13293	3.9
586.07385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.8
69.49190	5.5
71.01388	1.5
72.99316	10.2
80.91692	2.2
87.92383	1.2
93.03484	1.7
96.96035	4.0
100.37167	1.1
107.05127	1.0
108.02219	2.5
109.02972	25.5
110.03301	4.2
117.03470	1.1
121.02955	3.3
123.04546	6.1
133.02994	7.1
135.04549	28.2
136.04866	3.2
137.02461	2.3
144.55569	1.0
145.02948	2.0
147.04417	1.3
149.02461	2.9
150.03249	6.9
151.03947	2.4
157.03055	2.6
158.03726	1.3
159.04544	4.5
161.02458	9.4
165.05605	1.7
165.15166	1.1
166.02716	1.7
173.02448	3.2
174.03117	1.2
175.03905	2.2
177.01924	2.3
179.03548	10.6
180.03830	1.5
185.02437	18.8
186.03029	7.7
187.03534	1.2
192.99568	1.2
193.01408	1.9
193.06654	1.6
193.55473	1.1
195.02991	2.3
195.06627	1.6
195.08267	2.0
196.07098	1.7
197.04561	9.0
197.06055	1.6
198.04999	1.3
211.07805	1.5
214.02499	1.4
220.05280	1.8
221.06044	3.7
222.06876	1.9
223.07671	4.5
224.04913	1.4
225.05586	2.5
225.50430	1.3
236.04866	1.3
237.05528	3.2
238.06194	1.6
239.07156	5.0
247.04109	1.7
248.04710	2.3
249.05624	8.9
250.06140	3.7
251.03481	3.6
251.07127	5.1
252.04286	2.3
253.04726	2.6
265.05057	5.8
266.05688	3.3
267.06668	12.7
269.08060	1.5
276.04300	1.9
277.05084	12.4
278.05350	1.9
279.03079	11.0
279.05927	2.0
280.03653	7.0
293.04636	15.5
294.05130	3.8
295.06122	28.3
296.06528	6.6
297.06906	2.1
311.05585	3.7
321.04050	55.6
322.04391	11.6
323.04736	3.0
329.06580	1.5
339.05106	100.0
340.05371	14.9
341.05573	4.8
353.06735	4.1
386.73160	1.4
432.25217	1.3
473.09372	1.3
504.09811	1.4
519.09369	31.1
520.09644	4.5
521.09296	1.5
549.10425	36.2
550.11188	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	747.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	2.2
69.21278	8.3
71.79680	1.3
72.99320	19.6
93.03502	1.6
95.05046	1.5
98.21954	2.6
98.48649	1.7
105.03483	3.6
107.64379	1.3
109.02962	29.9
121.02974	3.2
123.04530	11.3
124.01760	2.0
133.02974	24.5
134.03683	2.0
135.04549	37.2
136.04816	1.7
136.12901	1.2
137.02463	5.5
139.04018	1.8
139.11885	1.4
145.02942	2.4
147.04578	3.0
149.02417	3.5
150.03210	3.3
151.04045	12.1
157.03001	4.0
159.04547	5.9
161.02464	74.5
162.02843	2.8
165.05585	2.3
166.02718	3.0
170.47166	1.3
173.02509	4.0
177.01840	7.3
178.02356	1.6
179.03516	27.4
181.05113	4.6
185.02469	25.0
186.03191	4.8
191.03529	3.1
197.04573	17.9
220.05360	2.2
221.06107	4.8
223.04008	2.1
229.01331	1.6
237.05557	3.6
247.04085	2.0
248.04872	2.9
249.05614	8.7
250.02835	2.0
251.03482	4.9
252.04314	2.2
265.05103	7.9
266.02234	2.0
267.06726	4.9
276.04114	2.7
277.05154	8.6
279.02972	13.4
280.03873	4.2
292.03793	4.3
293.04568	14.2
295.02805	2.5
295.06061	18.5
303.03168	2.2
309.04031	4.0
310.04776	2.3
313.07193	3.0
319.02466	3.3
321.04065	100.0
322.04373	5.9
325.07349	3.7
335.01996	7.2
336.02731	7.6
339.05087	29.1
340.05478	3.4
343.08228	4.6
351.05106	30.8
357.06009	2.3
359.07730	12.8
369.06143	7.1
389.08911	5.4
409.56552	1.4
423.09213	5.6
519.09387	26.8
520.09430	1.9
523.12708	2.0
549.10425	23.1
550.11255	1.9
585.13000	3.4
638.01385	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	747.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21346	0.6
55.92793	0.7
56.23270	0.6
72.99309	0.8
78.50839	0.6
81.03460	0.7
88.97092	0.8
97.58314	0.6
97.94864	0.7
98.22699	1.6
108.02184	1.8
108.40939	0.5
109.02963	28.0
109.03709	1.5
113.03904	0.7
123.04523	2.0
135.04561	1.7
137.02448	1.9
145.02950	1.2
147.04523	1.4
149.02385	0.9
150.03215	3.3
151.04037	1.9
157.02986	1.7
159.04535	3.3
173.02393	1.9
174.03207	1.0
179.03575	1.0
185.02455	19.2
186.03215	5.1
187.03954	1.1
193.06517	1.8
195.02966	1.3
195.04558	1.2
209.06068	2.4
219.04594	1.5
220.05396	1.7
221.06097	5.4
223.04039	1.5
224.04816	1.0
225.05605	3.1
228.95404	0.7
232.05376	1.1
235.03914	0.7
236.04747	1.0
237.05540	2.5
239.07111	0.8
245.29211	0.6
247.04034	2.6
248.04733	3.1
249.05569	9.6
250.02820	1.4
250.06157	1.0
251.03528	5.1
251.07115	0.7
252.04283	3.8
259.31998	0.7
260.04901	1.2
264.04352	1.0
265.05054	7.2
266.05890	1.3
267.06607	3.9
275.03522	1.9
276.04324	2.0
277.05048	11.6
279.03015	12.9
280.03818	5.0
292.03821	1.3
293.04596	9.7
294.05063	0.7
295.06125	18.8
296.06430	1.2
303.02954	3.5
313.07449	0.9
321.04059	100.0
322.04413	5.9
339.05121	23.9
339.09296	1.0
383.65936	0.7
505.11542	1.0
519.09625	1.0
523.12537	1.5
549.10449	35.8
550.10852	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	747.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14574	0.4
69.33813	1.8
69.34195	0.8
72.99313	14.2
87.46071	0.4
93.03470	1.5
107.05047	0.7
109.02972	1.5
118.98158	0.6
120.73613	0.4
121.02990	3.0
122.03764	0.7
123.00903	0.6
123.04546	3.0
124.01640	0.6
131.01392	0.6
132.02190	0.7
133.02974	17.7
134.03700	1.2
135.04541	29.1
136.01720	0.7
136.04865	0.6
137.02469	3.5
138.03249	4.3
139.04005	1.7
148.01733	0.5
149.02475	3.9
151.04024	3.0
161.02461	100.0
162.02763	2.5
163.04016	0.9
165.02023	0.9
166.02722	7.8
176.92821	0.4
177.02008	1.2
179.03516	32.3
180.03819	0.7
181.05083	18.6
182.05394	0.4
193.01454	1.1
197.04564	8.7
203.03642	0.4
207.03004	1.9
214.45799	0.4
225.04056	1.5
232.13806	0.4
284.07034	0.5
299.09232	1.9
343.08267	14.1
344.08624	0.7
359.07724	19.7
360.08154	0.7
387.07297	0.8
482.84131	0.4
585.12439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.0
70.77695	1.4
71.01379	2.3
72.56074	0.7
72.99319	12.7
81.90768	0.9
89.02437	1.9
101.02544	0.9
109.02959	3.2
119.03540	1.3
121.02948	1.1
123.04534	3.0
133.02956	5.2
134.03763	1.4
135.04539	17.1
137.02435	1.4
147.04539	1.1
149.02454	1.8
150.03233	2.3
151.04044	1.2
160.13190	1.0
161.02467	17.8
165.05531	2.5
175.04047	1.6
177.05550	1.3
179.03510	7.5
180.55423	0.8
191.03314	1.0
197.04601	4.2
200.36084	0.9
212.04691	0.9
227.03503	1.8
227.07097	1.3
228.04308	1.3
229.05141	5.4
230.05812	1.2
238.06285	1.0
239.07269	1.1
241.05070	3.2
242.05853	1.9
242.90117	0.9
243.03041	5.7
243.06628	4.6
244.03717	3.1
245.04541	2.9
245.08174	3.9
246.05380	1.5
254.05827	1.7
255.06688	4.9
256.03897	1.4
256.07355	1.1
257.04645	7.9
257.08173	2.3
258.05307	7.4
259.06137	9.7
260.06906	9.9
261.07663	2.7
265.05103	3.0
266.05884	1.9
267.06534	3.4
269.04581	1.8
269.08160	1.3
270.05264	1.0
271.06134	4.2
272.06949	4.7
273.07693	9.2
274.08444	4.2
275.09042	1.1
283.06091	2.3
284.07025	2.2
285.04727	1.2
285.07727	3.8
287.09235	2.2
289.07159	1.7
290.07959	2.2
295.06165	2.1
299.09207	2.7
300.06674	1.3
302.08017	1.7
311.05576	1.6
317.06607	3.6
329.06616	3.1
333.06183	9.6
334.06897	5.6
343.08179	1.5
345.05698	1.4
346.06912	1.6
347.07745	2.4
349.09158	1.4
359.07864	5.0
361.09109	4.5
369.06342	1.3
377.08609	1.2
391.06683	2.4
405.08109	2.6
408.07010	6.4
423.09387	100.0
424.09659	5.8
486.40216	1.0
567.10834	1.1
585.12531	34.6
586.12805	4.7
653.49170	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
62.60559	0.8
69.27020	4.5
72.99314	10.0
82.83774	0.8
85.71024	0.8
96.96017	0.9
108.02232	1.5
109.02964	15.0
110.03323	2.0
115.05597	0.9
121.03021	1.5
123.04537	3.2
124.01685	9.8
133.03029	0.8
134.03809	1.4
135.04550	15.4
137.02490	1.7
139.04013	3.9
145.02972	1.4
147.04607	1.1
148.69597	1.0
149.02446	1.8
150.03185	0.8
151.00409	0.9
151.03986	2.3
154.52016	0.9
157.02951	2.0
158.03629	1.0
159.04500	3.7
161.01254	0.8
161.02412	4.6
173.02469	3.5
175.03943	1.5
179.03561	7.5
181.05232	1.0
185.02457	32.5
185.04123	1.8
186.02937	4.6
193.06757	1.0
197.04556	7.5
197.06172	1.1
203.03485	2.1
213.01886	0.9
219.04538	1.6
220.05278	0.7
221.06120	1.6
225.05591	1.1
229.01459	2.6
236.04803	1.6
237.05470	1.8
238.02565	0.8
239.03444	1.0
247.04041	1.2
248.04840	1.2
248.26627	0.8
249.05534	3.5
251.03485	2.3
252.04286	2.0
254.05750	1.0
263.03525	1.9
264.04388	4.5
265.05048	3.6
266.02234	6.4
266.05539	1.5
267.02979	2.2
267.06415	1.8
268.03497	0.9
275.03525	1.1
276.04123	1.4
277.05026	4.4
278.05783	0.9
279.03024	4.7
280.03757	3.7
281.04376	1.5
291.03033	4.0
292.03745	6.9
293.04572	13.3
294.01770	2.7
294.05273	7.1
295.02493	10.7
295.06067	10.3
296.03125	1.0
296.06448	3.5
297.06790	2.1
307.02472	2.6
307.06067	1.7
308.03387	3.9
309.04074	10.0
310.04822	7.3
319.02444	8.4
320.03134	2.3
321.04068	21.7
322.04312	4.3
323.05035	2.6
325.07196	10.3
335.02011	22.6
336.02765	37.0
337.03018	1.1
339.05136	9.5
340.05475	3.5
341.05475	1.4
351.05121	100.0
352.05316	4.5
353.06796	1.0
354.03757	2.8
369.06177	19.9
370.06689	1.3
383.07800	1.6
451.59064	1.0
519.09430	5.0
520.09625	0.9
521.22900	0.9
523.12488	2.5
549.10431	42.5
550.10968	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	747.158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.1
61.98837	1.0
69.31650	1.9
69.32034	2.1
72.99315	17.2
74.64523	0.9
82.95472	1.0
93.03464	1.1
95.05049	2.5
96.96006	2.0
101.02430	1.1
105.03460	5.3
107.05054	2.8
108.02159	0.9
109.02969	9.8
117.03474	0.9
121.02979	2.8
122.03754	4.3
122.91837	0.7
123.04541	8.1
132.02182	3.8
133.02975	41.7
134.03780	11.6
135.04541	100.0
136.04836	1.9
137.02441	4.9
138.03200	1.5
139.03993	2.0
145.03006	1.3
147.00844	1.0
147.04512	2.4
148.01678	4.3
149.02460	7.6
150.03273	4.8
151.04024	7.1
159.04507	3.5
160.01663	8.4
161.02464	73.1
162.02922	2.1
163.04129	1.1
165.01878	0.8
165.05617	1.8
166.02748	2.7
175.00404	1.5
175.04015	0.8
176.01149	1.9
177.01976	15.5
178.02710	3.6
179.03513	30.0
181.05096	6.9
185.02467	1.5
191.03543	1.0
193.01460	2.2
193.06712	1.1
194.02148	1.5
195.02928	3.3
197.04565	10.7
207.02995	2.2
209.04567	1.1
220.09673	0.8
221.04442	1.7
253.05057	1.2
265.05048	1.2
267.06567	2.2
268.06958	0.9
275.89087	0.8
293.04572	1.6
295.06073	1.7
296.91953	0.8
299.09079	0.9
311.05682	2.9
313.07047	1.9
321.03952	2.6
325.07144	1.7
339.05017	2.5
341.06516	1.9
343.08276	5.8
355.04465	1.1
359.03690	1.5
359.07791	18.4
360.08289	1.5
361.09354	3.5
369.06064	4.0
373.09259	4.9
387.07236	36.5
388.07465	2.1
423.09399	3.1
455.22946	2.1
519.08966	1.0
523.12518	19.3
524.13129	1.1
549.10461	4.1
567.11462	39.2
568.11792	4.4
585.12390	5.2
701.36969	1.1
747.15875	3.1
750.39429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.8
71.01418	1.2
72.99317	27.1
73.63221	0.9
77.76834	1.3
80.05063	1.1
93.03442	3.1
95.05051	2.4
101.02471	1.3
102.35791	1.0
105.03477	12.6
106.06642	1.9
107.05038	2.1
109.02979	10.4
121.02982	8.6
121.03729	1.4
122.06143	2.7
123.04536	9.4
132.02255	1.6
133.02969	62.2
134.03810	2.5
134.06143	6.9
135.04541	34.5
135.05513	2.1
135.06392	2.3
136.04924	1.3
137.02489	5.8
138.03273	4.0
139.04092	1.8
149.02472	14.5
150.13493	1.1
151.04034	12.8
159.04491	1.8
161.02463	100.0
162.02808	3.6
166.02655	6.6
177.01939	29.7
178.02638	1.5
179.03523	31.5
180.06659	1.9
181.05095	22.9
181.06596	1.0
188.07225	2.3
193.01505	7.0
193.03046	1.1
197.04596	18.1
221.06288	1.2
253.09482	1.4
267.06754	6.1
277.09860	1.3
294.09888	1.3
295.10791	3.6
296.11276	3.4
307.10742	3.6
308.11227	2.7
313.07095	2.0
321.03986	2.2
339.05161	1.7
339.52692	1.1
343.08206	6.9
349.36682	1.2
355.04700	4.6
357.06403	1.4
359.07748	48.3
360.08167	1.8
423.09384	18.7
424.09735	1.2
442.18008	1.9
443.18094	1.6
444.18399	1.5
502.19858	3.6
503.19867	8.0
504.20343	4.9
520.20355	1.4
546.18793	6.2
547.19183	17.6
548.19379	13.3
553.09833	2.3
579.21722	6.5
580.22607	6.9
585.12500	19.5
586.12573	1.6
589.15369	1.3
671.26434	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	747.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42029	5.0
72.99336	11.0
109.02953	10.8
121.02985	7.4
122.92383	4.7
133.02969	10.4
135.04530	17.4
137.02461	7.0
138.03224	8.7
149.02498	21.7
159.04549	6.3
161.02516	26.6
166.02728	14.2
169.76065	5.1
179.03557	12.8
181.05000	6.6
183.04550	10.4
185.06201	9.2
187.70764	4.3
196.05385	7.8
197.06073	9.3
199.03946	6.3
201.09059	5.0
211.04031	13.1
211.07729	7.5
224.04922	7.0
225.05537	8.4
227.03664	7.6
234.80629	4.2
237.05573	6.7
239.03586	27.8
239.07166	10.7
240.04309	13.9
241.05066	18.9
243.02997	6.8
249.05663	9.7
250.06259	4.4
253.05002	9.2
254.05803	8.6
255.06631	5.5
257.04471	5.9
265.05057	10.3
267.03156	38.6
267.06607	47.0
269.04718	4.9
271.06241	6.5
273.04105	7.8
276.30130	4.5
282.05417	6.5
283.02448	6.6
283.06140	17.8
285.04083	17.0
293.04633	24.0
296.51825	4.9
311.05646	100.0
311.08972	8.5
312.81897	4.6
343.08261	5.7
355.04626	60.7
380.44180	4.8
387.07077	11.3
390.70966	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	747.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27994	0.2
56.50771	0.3
59.01383	0.9
69.29282	1.1
69.29698	0.4
71.01385	0.7
72.99313	22.6
73.99622	0.3
78.82130	0.2
82.43533	0.3
89.02444	0.8
89.03970	0.3
91.05522	0.4
95.05035	0.3
107.05029	1.8
108.02222	0.5
109.02962	5.2
113.02443	0.4
117.03478	0.7
119.03497	0.3
122.03732	0.4
123.04536	10.6
132.02174	6.2
133.02960	1.2
134.03767	7.4
135.04538	100.0
136.04860	2.9
147.04477	0.5
149.02502	0.4
149.06102	0.3
150.03224	0.8
151.04030	0.7
157.98755	0.3
159.04523	0.5
160.01671	27.4
161.02464	3.5
165.05566	0.7
175.04019	46.6
176.04356	1.7
177.01968	0.7
178.02725	0.5
179.03513	31.1
180.03856	1.1
185.02449	3.0
186.03093	0.8
193.05049	2.4
195.06604	0.4
197.04567	33.8
198.04883	0.9
221.06027	0.3
223.02419	0.5
225.05496	0.3
239.06982	0.3
248.04816	0.5
249.05605	1.0
250.05882	0.3
265.04895	0.7
267.06714	0.7
277.05106	1.5
278.05527	0.3
279.03024	1.9
280.03687	0.9
293.04651	1.4
295.06046	2.9
309.07742	0.3
311.09225	0.4
321.04071	9.6
322.04391	1.2
329.10336	0.7
339.05087	4.5
340.05438	0.8
355.08008	0.4
373.09302	24.4
374.09616	2.2
519.09393	2.6
549.10449	2.9
603.80072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	22.0
69.41146	4.6
71.01022	1.7
71.01384	19.3
73.02950	3.3
83.01463	1.0
85.02950	3.9
85.53399	0.9
85.67821	1.0
87.00871	4.5
89.02456	14.1
91.11221	1.1
97.02946	1.3
98.21870	2.1
98.99393	6.9
101.00950	2.3
101.02449	12.6
110.38111	1.0
113.00959	2.5
113.02459	9.8
113.07401	0.9
119.03516	3.0
125.00964	2.6
125.02431	2.9
126.98859	1.6
131.71477	0.9
139.99672	2.1
140.99403	2.1
141.00464	25.7
141.01674	3.9
143.03481	2.6
153.00452	8.7
153.01700	5.7
155.02000	1.4
161.04550	2.1
165.00505	1.0
165.01723	5.1
167.02011	5.0
168.99937	1.4
179.05592	5.8
183.01485	3.5
195.01320	4.5
201.02451	1.1
203.05661	1.3
207.01427	2.4
213.02567	1.2
221.06743	3.4
225.02530	3.1
238.24315	1.2
240.36490	1.0
243.03639	9.3
261.04605	3.1
273.04742	3.0
287.06122	1.4
303.05817	5.1
315.05811	2.4
341.10898	3.8
345.06833	2.8
363.08911	1.4
383.11975	12.0
405.09033	68.4
406.09357	4.9
423.09952	17.3
435.10089	1.6
443.13962	2.3
465.11029	100.0
466.11118	9.5
485.15042	2.1
499.04654	1.0
507.13190	3.1
525.13049	4.6
665.21527	20.2
666.21582	1.4
687.19196	31.8
688.19226	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	747.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.2
58.00596	1.4
59.01386	72.8
64.02622	1.2
66.49944	1.0
69.03452	1.5
69.49289	3.0
71.01389	67.8
72.01775	1.0
72.02180	1.2
72.99316	1.5
73.02957	11.1
74.99394	1.3
75.00869	1.7
80.91692	12.7
81.03471	3.1
83.01452	2.7
85.02950	13.1
87.00886	18.1
87.04520	1.6
89.02458	53.3
95.01401	2.7
97.02944	6.2
98.99407	4.2
99.00864	3.8
101.02453	48.8
102.98878	1.6
109.02955	2.3
111.00703	2.6
113.00948	1.6
113.02466	33.9
119.03522	9.1
125.00974	2.7
125.02462	11.4
126.03207	1.4
126.98869	1.4
130.98372	1.2
131.03522	3.7
139.03995	1.9
139.99704	1.4
140.00993	1.0
141.00464	25.4
141.01730	17.7
142.00526	1.5
143.03510	14.2
143.61256	1.3
143.99182	2.6
149.04584	1.3
153.00444	8.6
153.01706	23.4
155.02055	1.6
155.03256	1.7
161.04535	7.3
163.00188	1.5
165.01698	13.7
167.01956	3.7
167.03296	2.8
168.99919	2.3
169.01222	1.3
179.05621	26.3
183.01387	2.1
183.02791	3.4
195.01453	3.8
195.02797	3.9
201.02505	1.4
203.05623	4.3
212.14363	1.2
213.02354	1.9
220.23886	1.2
221.06693	12.8
225.04146	6.8
235.08340	1.6
243.05174	22.3
261.04684	2.8
273.06024	6.6
285.05841	3.3
287.06165	1.7
303.05667	6.8
315.05737	2.6
323.10040	1.9
341.10989	12.8
345.07297	4.8
363.09201	10.6
364.42664	1.2
365.86093	1.3
383.11963	43.5
384.12344	2.0
387.09036	4.1
405.09503	100.0
406.09357	7.0
423.04575	0.8
423.10013	20.2
424.09995	1.5
435.10928	2.3
443.14087	8.9
447.11319	4.4
465.11035	82.7
466.11270	10.1
485.15036	5.9
503.16104	2.6
507.13324	7.1
525.13409	4.8
665.21539	67.1
666.21796	7.3
687.19586	77.7
688.19830	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	747.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
57.03467	1.3
59.01385	100.0
71.01385	10.7
72.99318	14.0
73.02946	4.0
83.01382	1.1
85.02960	5.1
87.00895	1.3
89.02448	1.5
93.03475	0.9
95.01409	1.3
95.05065	1.7
99.00931	2.0
99.04533	1.2
101.02453	7.4
105.03458	3.9
109.02972	10.5
113.02479	4.3
121.02974	2.4
123.04565	5.1
132.02176	0.9
133.02980	33.8
134.03668	1.6
135.04549	31.3
136.04909	0.9
137.02470	2.5
138.03195	1.3
139.04024	1.4
143.03484	1.2
143.10796	2.7
146.03856	1.2
147.04530	1.5
148.75563	0.7
149.02478	3.4
150.03174	1.2
151.04022	3.3
159.03056	1.0
159.04524	2.3
161.02463	74.8
161.04390	5.9
162.02841	4.1
163.04070	1.1
165.05534	1.1
174.03200	1.0
175.04030	1.8
177.01933	15.5
179.03525	18.2
180.03731	1.3
181.05112	4.1
185.02513	0.9
187.04057	1.4
189.01944	0.9
191.03558	1.3
195.02919	0.9
197.04568	13.6
200.01103	1.0
219.03041	1.7
237.05573	1.2
239.07082	1.4
241.04988	1.4
242.02899	0.8
242.05580	1.1
249.05537	1.4
255.06839	1.4
257.08209	1.4
259.02399	1.2
265.05011	2.7
267.06613	5.1
269.04678	1.0
269.10431	2.9
277.05209	1.1
281.04489	2.1
287.15128	2.1
292.03809	0.9
293.04547	3.3
294.05386	1.3
295.06003	4.7
299.05679	0.9
299.09183	1.2
305.16040	8.1
309.04071	4.3
310.04898	4.1
311.05539	3.6
311.11319	2.1
313.07129	2.5
319.02673	1.3
321.03964	2.3
325.07153	8.1
326.07385	1.1
331.08286	2.0
336.02777	1.7
337.03317	2.2
339.05042	3.1
343.08307	6.3
347.17114	11.2
351.05197	5.0
357.06030	1.2
359.03238	1.1
359.07742	20.0
360.08102	2.6
369.06107	7.5
373.05753	1.3
385.09476	2.0
387.07275	1.9
405.08167	4.3
475.10257	1.2
583.43146	0.9
585.12524	7.4
586.13165	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	749.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22542	1.2
58.24160	1.0
65.03961	3.7
72.99316	13.8
81.03471	5.9
93.03467	13.9
95.01400	2.5
95.05019	4.0
100.30810	1.0
105.03471	7.8
107.05050	2.3
108.02195	10.5
109.02964	67.4
110.03305	1.5
112.94040	1.2
117.03481	2.5
121.02973	44.6
122.03335	1.3
123.04558	17.3
133.02039	2.0
133.02974	24.5
135.04532	14.4
136.01660	5.2
137.02460	100.0
138.02798	2.5
139.04036	3.5
143.09473	1.2
145.03058	1.4
147.04535	5.0
149.02454	24.3
151.02856	2.4
151.04031	38.7
151.05251	2.2
159.04460	1.4
161.02464	39.8
162.02750	1.3
165.01958	4.8
166.02795	2.0
167.03513	7.4
173.02441	1.7
175.03993	2.4
177.01935	15.5
179.03522	13.8
181.72386	1.1
185.02393	1.7
192.39458	1.3
193.01427	45.3
194.01756	3.2
195.03107	2.5
195.04721	1.4
197.04572	3.8
211.02473	16.0
213.05647	3.3
221.06334	1.6
225.05753	1.7
241.05089	11.0
247.02512	4.4
253.05142	5.6
254.05598	2.4
267.06589	3.3
269.08127	1.4
280.90759	1.1
283.06213	1.9
285.07571	1.7
297.04230	1.4
313.07205	5.8
315.49738	1.3
321.04269	1.4
329.06522	2.5
339.05246	7.3
359.07690	5.3
369.71048	1.4
373.05713	3.2
375.07120	2.3
417.82578	1.2
519.09326	4.3
724.76428	1.4
774.54688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91127	1.3
56.50846	1.4
60.43489	1.5
61.38407	1.2
65.03963	2.2
69.27813	7.6
72.99308	15.7
77.03992	1.6
77.23013	1.4
81.03472	6.3
93.03461	16.9
95.01399	3.2
95.05043	3.7
105.03470	8.5
107.05055	3.4
108.02211	7.7
109.02973	66.3
117.03451	1.3
121.02974	47.5
123.04543	16.8
125.02406	1.5
133.02977	26.1
135.04553	15.0
136.01671	5.0
137.02458	100.0
138.02795	1.8
139.04021	2.4
145.02979	2.2
147.04530	4.4
149.02477	24.0
150.02859	1.7
151.04027	42.5
161.01114	2.3
161.02460	42.6
162.49763	1.5
165.01973	3.8
166.02663	3.3
167.03482	8.0
173.02446	1.6
175.04022	3.4
177.01947	18.6
177.05594	1.8
179.03506	21.5
185.06123	1.5
193.01431	49.2
194.01797	2.7
195.03049	2.6
197.04492	4.3
203.03391	1.4
211.02457	17.2
211.04262	1.4
213.05692	3.0
219.03035	2.3
225.05486	2.6
239.07031	1.5
241.05083	11.5
247.02536	5.2
247.05313	1.6
249.05434	1.5
253.05222	7.3
255.06569	1.7
263.61456	1.4
265.05112	2.2
267.06662	3.7
283.06256	2.1
285.07748	2.8
295.06110	2.8
313.07220	5.1
329.06781	3.4
330.60626	1.5
339.05121	9.6
359.07703	9.6
373.05695	1.9
375.07254	2.4
505.14926	1.6
519.09186	5.3
696.70624	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	749.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
70.97846	0.3
71.40775	0.3
72.99315	33.2
78.65459	0.3
93.03468	0.6
95.05049	0.3
106.62569	0.3
107.05019	0.6
108.02184	0.5
109.02964	14.2
110.03319	0.4
117.03468	0.5
119.05062	0.7
121.02978	4.8
122.03777	0.9
123.04544	4.9
124.04906	0.3
129.03500	0.6
131.05028	0.3
132.02129	0.4
133.02979	4.1
134.03745	1.0
135.04539	18.4
136.04936	0.5
137.02463	13.6
137.06055	1.7
139.04019	0.4
145.02960	2.9
146.03734	2.3
147.04538	15.6
148.05005	0.5
149.02496	3.4
149.06099	10.5
150.03291	1.8
151.04041	1.0
152.17667	0.2
158.03734	0.3
159.04524	2.6
160.01654	0.6
161.02457	16.3
162.03195	3.4
163.02728	0.6
163.04037	8.3
164.04411	0.2
165.05621	1.5
173.02443	1.1
174.03172	1.5
175.04024	7.4
175.05498	0.5
177.01930	0.5
179.03502	5.0
180.03897	0.6
189.01868	0.4
190.02747	3.3
191.03516	17.3
191.54572	0.2
192.03870	0.4
193.01656	0.3
193.05069	3.3
193.06693	0.4
195.03008	0.4
195.55667	0.3
197.04543	4.1
197.06116	0.5
198.04881	0.5
199.07553	0.4
203.03525	2.9
204.04015	0.4
209.06160	0.5
211.04117	0.2
211.05971	0.4
211.07719	0.7
213.05595	0.5
219.02850	0.3
221.06148	1.2
223.07571	0.6
224.04831	1.0
225.05551	2.3
226.06364	0.5
227.07245	0.4
237.03777	2.5
238.06438	0.6
239.07175	2.6
240.07805	0.3
241.05145	0.7
242.05840	3.6
243.06615	1.0
248.04858	1.1
249.05608	4.2
250.06329	0.6
251.07089	1.3
252.04262	0.8
252.07930	0.4
253.05092	1.5
254.05869	3.9
255.06760	1.4
257.08212	7.8
258.08618	0.5
259.09848	0.5
263.03891	0.3
265.05090	1.8
266.05829	2.0
267.06622	9.2
268.03796	1.2
268.07193	1.0
269.04639	1.8
269.08240	9.3
270.05338	1.2
270.08020	0.3
276.04416	1.2
277.05081	12.8
278.05835	2.5
280.03796	0.6
281.04395	0.4
282.05328	0.4
283.06168	4.0
284.06708	0.9
285.07709	0.7
287.09277	3.1
293.04639	1.4
294.05322	2.4
295.06140	29.8
296.06610	1.8
298.05063	0.3
304.03323	0.3
313.07205	100.0
314.07547	5.0
321.04047	0.8
331.08258	9.5
332.08511	0.6
339.05167	2.4
357.06177	41.9
358.06537	2.2
359.07657	2.2
360.08038	0.6
361.08548	0.4
375.07135	1.4
389.08899	0.8
407.09677	0.4
435.09341	1.1
475.10379	2.3
493.11612	1.0
519.09515	1.9
537.10529	0.4
551.11377	0.4
555.11475	25.4
556.11755	1.8
587.14069	13.6
588.14423	1.1
588.59583	0.3
717.14386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
70.97846	0.3
71.40775	0.3
72.99315	33.2
78.65459	0.3
93.03468	0.6
95.05049	0.3
106.62569	0.3
107.05019	0.6
108.02184	0.5
109.02964	14.2
110.03319	0.4
117.03468	0.5
119.05062	0.7
121.02978	4.8
122.03777	0.9
123.04544	4.9
124.04906	0.3
129.03500	0.6
131.05028	0.3
132.02129	0.4
133.02979	4.1
134.03745	1.0
135.04539	18.4
136.04936	0.5
137.02463	13.6
137.06055	1.7
139.04019	0.4
145.02960	2.9
146.03734	2.3
147.04538	15.6
148.05005	0.5
149.02496	3.4
149.06099	10.5
150.03291	1.8
151.04041	1.0
152.17667	0.2
158.03734	0.3
159.04524	2.6
160.01654	0.6
161.02457	16.3
162.03195	3.4
163.02728	0.6
163.04037	8.3
164.04411	0.2
165.05621	1.5
173.02443	1.1
174.03172	1.5
175.04024	7.4
175.05498	0.5
177.01930	0.5
179.03502	5.0
180.03897	0.6
189.01868	0.4
190.02747	3.3
191.03516	17.3
191.54572	0.2
192.03870	0.4
193.01656	0.3
193.05069	3.3
193.06693	0.4
195.03008	0.4
195.55667	0.3
197.04543	4.1
197.06116	0.5
198.04881	0.5
199.07553	0.4
203.03525	2.9
204.04015	0.4
209.06160	0.5
211.04117	0.2
211.05971	0.4
211.07719	0.7
213.05595	0.5
219.02850	0.3
221.06148	1.2
223.07571	0.6
224.04831	1.0
225.05551	2.3
226.06364	0.5
227.07245	0.4
237.03777	2.5
238.06438	0.6
239.07175	2.6
240.07805	0.3
241.05145	0.7
242.05840	3.6
243.06615	1.0
248.04858	1.1
249.05608	4.2
250.06329	0.6
251.07089	1.3
252.04262	0.8
252.07930	0.4
253.05092	1.5
254.05869	3.9
255.06760	1.4
257.08212	7.8
258.08618	0.5
259.09848	0.5
263.03891	0.3
265.05090	1.8
266.05829	2.0
267.06622	9.2
268.03796	1.2
268.07193	1.0
269.04639	1.8
269.08240	9.3
270.05338	1.2
270.08020	0.3
276.04416	1.2
277.05081	12.8
278.05835	2.5
280.03796	0.6
281.04395	0.4
282.05328	0.4
283.06168	4.0
284.06708	0.9
285.07709	0.7
287.09277	3.1
293.04639	1.4
294.05322	2.4
295.06140	29.8
296.06610	1.8
298.05063	0.3
304.03323	0.3
313.07205	100.0
314.07547	5.0
321.04047	0.8
331.08258	9.5
332.08511	0.6
339.05167	2.4
357.06177	41.9
358.06537	2.2
359.07657	2.2
360.08038	0.6
361.08548	0.4
375.07135	1.4
389.08899	0.8
407.09677	0.4
435.09341	1.1
475.10379	2.3
493.11612	1.0
519.09515	1.9
537.10529	0.4
551.11377	0.4
555.11475	25.4
556.11755	1.8
587.14069	13.6
588.14423	1.1
588.59583	0.3
717.14386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99319	16.2
87.63087	0.9
93.03476	2.0
95.05013	1.2
108.73164	1.1
109.02962	11.6
121.02973	3.5
123.04543	6.6
128.43538	1.1
132.02246	1.2
133.02968	20.3
133.03902	1.8
134.03758	1.6
135.04541	45.4
137.02493	1.2
138.03235	2.3
139.04024	1.1
145.03027	1.5
147.04503	1.0
149.02551	1.8
151.04010	2.1
153.36255	0.9
154.09074	0.9
159.04530	1.6
161.02461	100.0
162.02824	4.4
166.02664	2.3
167.29398	1.0
172.55188	1.0
173.02435	1.9
177.01997	1.1
179.03513	24.9
181.05096	6.3
185.02438	6.3
185.33914	1.1
186.02904	1.8
195.26746	0.9
197.04581	17.1
221.06255	1.3
225.05739	1.2
239.07195	2.3
249.05573	2.3
250.06314	1.0
251.07140	1.8
253.63885	1.0
265.04974	2.0
266.05969	1.5
267.06653	5.1
277.05087	3.6
279.03061	1.8
280.03653	1.9
293.04578	2.8
294.05176	1.6
295.06198	15.6
296.06503	1.9
311.05795	1.7
313.07263	2.8
321.04053	13.9
322.04465	3.0
339.05133	50.8
340.05463	5.3
343.08221	3.1
357.06021	1.5
359.07761	42.6
360.08026	3.5
361.09363	8.0
429.61752	1.1
475.09998	2.3
489.08441	1.5
519.09363	29.0
520.09717	4.1
551.11859	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	749.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41659	1.0
72.99315	20.7
81.09505	1.0
108.02204	2.4
109.02966	52.1
110.03305	2.6
111.36040	1.0
121.02979	6.8
123.00855	1.3
123.04518	6.2
124.01677	1.4
133.02963	3.6
134.03680	1.8
135.04558	18.7
137.02466	4.8
145.02962	3.3
146.03741	1.0
147.04544	10.1
149.02473	5.0
149.06096	7.1
150.03247	1.6
151.03979	2.1
157.02942	3.5
158.03720	1.2
159.04530	6.5
161.02441	10.0
162.03252	1.9
163.04070	5.2
167.03491	1.3
169.17189	1.0
173.02408	3.5
174.03188	2.6
175.04039	6.1
179.03537	6.8
185.02455	26.9
186.03180	6.9
187.03796	2.0
191.03516	6.7
191.23218	1.0
193.05074	2.3
197.04565	4.9
201.01958	2.2
203.03452	2.4
208.05316	1.9
209.06053	2.3
219.03021	1.7
221.06061	3.8
221.65581	1.0
224.04799	3.1
225.05591	4.0
227.03491	1.3
229.01393	2.9
237.03914	2.4
238.06416	2.1
239.07117	3.4
242.05833	1.6
243.03029	1.2
248.04816	3.1
249.05553	10.5
250.06157	2.2
251.03511	3.8
251.07036	2.2
252.04193	2.6
253.05070	3.8
254.05812	2.6
257.08221	3.9
264.04034	1.4
265.05084	4.8
266.05624	3.6
267.02963	1.8
267.06601	11.4
269.08246	5.2
275.03372	1.3
276.04236	3.3
277.05084	19.9
278.05624	2.9
279.03076	8.4
280.03812	7.9
281.04263	1.5
283.06113	2.2
285.07516	1.2
293.04575	11.1
294.05228	4.6
295.06152	66.3
296.06491	6.5
297.06799	1.5
301.34052	1.1
309.07562	1.5
311.05478	1.8
313.07211	45.8
314.07449	2.0
321.04077	35.2
321.07779	1.5
322.04498	7.4
323.04620	4.2
324.05267	2.8
331.08212	6.3
339.05109	100.0
340.05450	8.8
342.05823	1.1
357.06165	19.5
358.06259	1.1
359.07816	3.5
417.59732	1.2
435.09653	1.2
475.10251	8.0
489.08096	8.3
493.11459	3.8
519.09448	13.6
520.09747	1.8
551.12054	2.0
555.11304	8.4
587.14160	13.7
619.21753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46500	1.3
72.99313	18.6
93.03457	1.4
109.02962	16.9
113.28644	1.3
121.02972	3.5
123.04568	9.1
133.02013	1.0
133.02963	25.1
135.04544	29.8
137.02435	2.0
147.04546	2.1
149.02483	2.6
151.04037	3.1
159.04510	4.1
161.02461	100.0
162.02818	3.6
173.02435	1.6
179.03522	21.1
185.02490	8.0
185.64503	1.3
186.03169	2.7
197.04570	18.4
197.06163	2.0
201.02098	1.5
204.64207	1.4
211.07651	1.4
225.05687	1.8
237.05540	1.8
239.07242	2.8
249.05579	5.2
251.07162	3.4
252.04272	1.8
264.03894	1.4
265.05124	3.2
267.06534	5.2
269.08258	2.9
276.04321	1.7
277.05145	7.4
279.03052	3.1
280.03784	4.2
293.04599	4.7
295.06131	22.6
296.06320	2.6
311.05551	3.2
313.07150	5.9
321.04053	11.6
322.04486	1.8
330.89749	1.4
339.05099	68.4
340.05585	6.1
357.06296	3.2
359.07755	57.0
360.08188	2.8
443.23907	1.5
474.31659	1.5
489.08237	2.7
493.11865	1.7
519.09454	39.7
520.09491	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53323	1.8
59.01381	1.7
71.01385	2.0
72.99313	32.4
85.02912	1.7
87.00888	2.3
93.64852	1.3
105.03483	1.7
107.05042	1.8
109.02947	12.0
115.00365	2.8
121.03001	3.3
123.04531	15.4
133.02977	24.8
134.03746	1.9
135.03520	1.9
135.04535	38.8
137.02460	4.2
145.02948	3.3
146.03625	1.7
147.04539	4.1
148.01718	7.9
149.02443	3.2
149.06088	7.1
151.04015	4.3
159.04436	3.3
161.02460	100.0
162.02812	8.0
163.04039	4.2
173.02415	1.9
175.02475	5.9
175.04024	7.0
176.04382	1.5
177.01912	2.0
179.03520	25.3
187.03821	1.7
191.03516	18.5
193.01422	3.9
195.02890	1.5
197.04576	46.0
198.04974	1.7
203.03569	2.3
219.03050	4.6
225.05505	1.9
229.01544	2.0
249.05603	2.6
250.06113	2.2
265.05148	1.9
266.05780	1.9
267.06784	3.7
269.08197	2.9
270.05331	1.6
276.04080	2.0
277.05087	7.1
280.03787	1.8
287.09363	1.8
293.04672	2.0
294.05237	2.7
295.06140	22.0
296.06754	1.9
309.07819	2.8
311.05573	4.7
313.07199	29.4
321.04016	8.0
322.04517	3.3
331.08267	3.3
339.05167	8.8
339.78903	1.6
353.06357	3.7
357.06226	12.8
359.07776	27.8
360.08206	2.9
371.07565	3.1
389.08823	17.0
519.09216	5.4
555.11688	7.8
587.13855	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	749.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14277	1.5
57.86406	1.7
59.01372	6.3
61.98833	37.2
69.38716	1.7
70.67817	1.8
88.98797	2.0
90.64629	1.8
106.06629	5.5
122.06126	6.2
132.04564	3.6
134.06129	21.2
134.43523	1.9
135.04546	2.8
148.04080	2.6
152.07181	3.7
160.04097	2.3
161.02487	5.6
190.05142	6.1
197.04608	1.8
206.12727	1.9
213.10358	6.5
223.08829	2.8
223.16891	1.7
225.10310	5.5
227.11890	2.1
239.12079	8.8
240.12491	3.5
241.13417	2.3
249.10249	3.6
251.11858	3.7
261.10223	5.9
263.08386	2.4
263.11682	5.0
267.11450	2.2
273.10263	2.2
277.09747	4.4
279.11441	2.9
285.12512	5.9
289.09625	5.3
295.10733	2.9
305.09271	4.1
307.10699	43.0
323.10184	3.2
337.11844	2.7
342.12354	3.1
357.14850	3.0
370.15753	2.3
380.13794	3.9
397.13922	5.3
404.13516	3.0
412.16711	4.0
422.14810	7.8
434.14975	6.2
490.20572	2.8
569.21411	6.3
586.47009	2.2
591.22687	2.4
613.20709	28.0
614.20422	3.8
627.25061	3.9
629.23865	3.5
631.21027	3.8
645.23358	30.0
646.23773	4.8
663.23248	17.4
664.23798	4.5
673.22845	100.0
674.23108	13.3
705.25397	52.3
706.25751	7.3
718.15308	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	750.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11489	2.3
57.34197	2.2
70.53807	4.5
71.01357	3.1
95.37003	2.4
155.22961	2.6
211.13419	100.0
212.13782	5.1
235.08365	2.7
247.08653	2.8
253.09296	6.0
277.21747	48.5
278.22302	3.1
447.22385	6.7
479.41394	2.8
520.87891	2.6
545.30688	3.1
762.12238	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	751.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92924	0.8
59.01385	8.8
59.58532	0.7
65.62441	0.9
68.12552	0.9
69.47649	3.5
71.01377	1.2
72.99314	24.5
98.22721	1.5
107.05028	2.6
108.02215	1.2
109.02961	35.6
110.03305	0.9
117.03477	0.8
121.02977	1.7
123.04545	12.5
128.25224	0.8
131.05034	1.6
133.02968	3.5
134.03740	5.2
135.04536	100.0
136.04851	2.6
137.02460	1.5
145.03015	2.2
147.04530	2.4
149.02486	2.2
149.06049	4.8
151.04037	2.9
159.04494	1.5
161.02466	12.1
161.06172	1.4
163.04042	0.9
173.02501	1.4
175.03984	6.9
179.03513	17.4
179.04958	0.8
183.08116	0.8
197.04561	40.3
197.06070	2.4
201.01965	5.3
211.03989	1.3
211.07689	3.1
213.05597	1.7
213.09178	2.0
215.07230	2.1
221.06215	1.1
223.00101	0.7
223.02373	1.6
223.07642	2.0
237.05511	1.5
239.03462	1.0
239.07143	10.0
240.04276	1.0
241.05061	1.2
241.08768	5.9
243.06758	1.4
249.05626	1.2
255.06454	1.1
257.08258	1.9
265.05115	13.4
266.05527	0.9
267.06638	29.0
268.06992	1.0
283.06137	2.8
285.07712	25.4
286.08298	0.9
293.04602	8.5
295.05981	1.0
303.08765	5.4
309.04224	1.3
311.05652	27.6
312.06158	1.2
313.07153	1.0
314.07349	0.9
329.06729	8.8
337.03198	0.8
345.57443	0.8
347.07727	1.2
355.04535	1.9
359.07748	4.0
377.08728	0.9
447.10864	1.9
465.11923	6.6
481.11411	1.2
483.12943	1.9
491.09875	22.7
492.10159	1.4
509.10913	56.9
510.11426	3.2
527.12250	1.4
535.08551	1.1
754.16040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12992	0.5
57.05932	0.4
59.01374	1.8
65.03975	4.4
65.90858	0.5
67.01905	0.6
72.46783	0.5
72.99315	4.3
77.03975	0.5
81.03461	10.0
89.77397	0.5
92.50672	0.5
93.03464	1.6
95.01397	0.6
95.05049	2.8
96.39855	0.5
105.03473	3.1
107.05048	3.9
108.02187	13.8
109.02965	100.0
110.03311	1.9
119.04973	0.6
121.02980	5.4
122.03783	0.9
123.04546	12.5
133.02985	13.7
134.03751	0.9
135.03519	0.7
135.04538	13.5
136.01703	2.9
137.02470	13.2
139.04073	0.8
145.02979	1.0
147.04434	0.5
149.02472	5.9
151.04030	47.9
152.04330	1.3
157.21967	0.5
159.04514	0.8
161.02441	9.2
163.04118	0.6
169.45207	0.5
170.46440	0.5
174.03215	1.1
175.04053	1.2
177.01953	21.5
178.02348	0.8
179.03516	7.2
185.06123	1.5
193.01393	0.7
193.05110	1.1
195.03040	6.0
195.04604	1.1
197.04561	3.6
197.06117	0.7
207.03012	0.6
213.05620	4.7
223.04057	0.7
224.04967	1.0
239.07190	0.9
240.04268	0.5
241.05084	16.6
242.05597	0.8
253.35893	0.6
265.05350	0.5
267.06638	3.9
269.08176	1.3
283.06140	1.4
285.07629	2.9
292.03287	0.5
302.91916	0.5
311.05728	2.5
329.06552	0.9
331.08124	0.8
349.01300	0.8
359.07901	1.8
395.01706	1.0
429.13901	0.6
509.11087	1.4
656.43243	0.6
674.15454	0.6
699.72382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
57.17614	0.4
59.01382	3.0
62.37606	0.4
66.11797	0.4
68.80286	0.5
69.35535	0.5
72.99315	21.4
73.84179	0.4
82.95603	0.4
99.04557	0.6
105.03574	0.6
107.05051	0.7
108.02186	0.7
109.02963	8.8
115.19348	0.5
123.04536	9.2
123.05396	0.8
132.02200	0.7
133.02972	19.8
134.03719	2.1
135.04536	37.7
136.04866	1.7
137.02434	0.6
147.04526	0.9
149.06085	1.5
151.03943	0.7
159.04526	0.6
161.02460	100.0
162.02820	2.2
175.04004	1.7
179.03520	19.3
180.03882	0.9
182.09149	0.5
185.41737	0.5
197.04564	30.0
198.04889	0.6
201.02060	0.9
201.18463	0.5
211.07643	0.8
213.09372	0.6
213.88989	0.5
215.07239	0.5
223.02504	0.7
223.07617	0.9
239.07231	2.4
240.07771	0.5
241.04985	0.6
241.08694	1.0
246.56833	0.6
253.05397	0.5
257.08105	0.5
265.05014	2.6
267.06674	5.4
268.07181	0.7
283.06198	0.6
285.04599	0.9
285.07663	4.9
286.08145	0.6
293.04688	1.8
296.06516	0.5
303.08813	0.9
305.69901	0.5
311.05673	4.1
312.05807	0.7
313.07184	1.3
314.07483	0.8
329.06610	1.8
341.06189	0.6
359.07745	37.5
360.08139	2.6
465.11945	1.2
491.09949	4.6
509.10919	10.3
510.11237	1.3
521.09875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	72.8
61.03545	7.7
61.98811	15.0
62.53278	6.8
69.25753	37.9
71.01373	9.4
72.99306	8.2
73.02956	9.0
82.64378	7.8
101.02396	8.1
106.70141	7.8
122.06115	27.3
133.02980	18.0
134.06129	38.2
135.04535	24.1
150.03354	8.6
161.02444	64.6
179.03490	23.7
197.04694	9.5
239.68864	7.0
249.10202	21.1
267.88281	7.8
277.09808	13.6
278.10599	18.3
279.11365	20.8
291.11411	20.6
301.09583	14.9
305.09286	11.5
336.08432	8.7
345.08450	23.0
359.07422	22.2
375.15350	8.3
384.17090	10.0
426.18115	12.9
448.16434	21.4
452.15521	18.0
471.17606	8.8
487.34277	72.3
492.15350	15.6
493.16147	11.7
529.35217	30.4
542.17969	18.8
545.33002	23.6
552.17383	23.2
553.17871	9.8
557.89056	9.5
584.20129	100.0
585.20972	17.2
615.22260	26.3
647.24634	40.5
665.24756	23.4
675.24274	72.6
707.27124	91.1
708.27014	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	751.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.7
59.01385	27.8
65.15065	1.2
69.03439	2.3
69.18970	8.0
71.01393	19.3
72.99307	4.3
73.02950	6.9
83.01396	4.2
85.02952	5.6
87.00891	5.2
89.02451	2.2
96.96033	7.9
97.02962	1.4
98.84776	1.2
99.00906	2.2
101.02445	5.6
109.02973	8.0
110.03278	1.6
113.02465	4.6
125.02462	4.0
133.02960	3.3
135.04547	4.8
143.03496	1.9
145.03096	1.4
147.04515	1.2
153.13019	1.2
161.02461	4.0
161.04575	1.2
173.02466	1.5
179.03539	4.5
185.02461	5.5
197.04567	3.3
230.57813	1.4
255.19658	20.7
265.05106	2.0
277.04962	2.1
279.02972	1.8
295.06076	4.8
321.04065	11.3
322.04416	2.7
339.05020	7.5
399.23837	8.0
417.24988	22.2
441.25241	1.7
459.25797	6.7
487.34286	1.3
561.28748	3.5
579.30200	2.7
603.30713	8.9
621.31482	13.3
663.32385	100.0
664.32831	11.3
765.73285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
57.03454	0.8
59.01387	100.0
60.01717	0.8
69.38705	1.0
71.01392	9.4
73.02952	3.7
73.03323	0.4
83.01413	1.0
84.89242	0.3
85.02962	5.4
87.00902	0.5
89.02454	0.6
95.01398	0.7
99.00900	1.4
101.02453	7.3
113.02458	4.0
119.98146	0.4
127.04455	0.3
133.02924	0.6
135.04605	0.8
141.86598	0.3
143.03487	0.6
152.46843	0.4
159.02971	0.9
161.02521	1.1
161.04550	3.7
179.03572	0.6
179.55258	0.3
181.12274	0.3
289.16605	11.1
290.16977	0.6
331.17664	3.1
344.06543	0.4
359.07526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
59.61631	0.5
61.98846	0.8
71.01389	1.3
72.99312	4.1
75.00880	100.0
76.01202	0.9
77.28161	0.4
78.22199	0.4
87.18674	0.4
89.02457	1.4
101.02447	0.8
105.49306	0.6
118.38832	0.4
157.98288	0.4
166.05298	0.4
181.61540	0.6
235.08229	0.7
265.94333	0.5
277.21780	3.7
397.13504	5.6
415.14636	1.5
487.03378	0.5
525.86029	0.6
550.75110	0.6
633.79834	0.5
647.13190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96268	2.5
57.03447	2.4
59.01383	36.4
68.12063	2.9
70.50121	5.0
71.01389	9.6
73.02956	8.1
85.02954	3.3
98.22644	2.7
101.02454	8.2
113.02443	4.3
126.71172	2.4
131.03545	2.8
131.04526	2.3
133.02985	5.2
135.04558	5.2
161.02533	13.2
190.77394	2.4
193.23285	2.6
203.05676	4.0
220.74438	2.5
255.19678	5.5
417.24976	9.3
459.25803	25.5
460.26624	3.7
469.33035	4.1
487.34238	13.0
503.33777	100.0
504.33963	14.5
529.35327	32.6
530.35889	4.6
545.34894	40.3
546.34845	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	751.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	95.3
60.01721	0.5
61.98836	1.0
62.29755	0.4
62.42834	0.4
71.01385	2.4
72.99319	0.9
73.02956	6.5
73.12637	0.4
83.01405	1.4
85.02968	0.7
96.96001	0.7
97.87733	0.4
98.15504	0.5
101.02464	4.9
109.98667	0.5
110.67429	0.4
113.02471	1.0
113.80468	0.5
131.03545	0.5
133.02991	1.3
135.04579	2.2
146.18971	0.4
161.02487	3.2
161.04575	0.9
167.56429	0.5
179.03539	1.1
197.04709	0.6
203.05754	0.8
359.07767	0.8
409.31183	0.8
487.34357	100.0
488.34708	11.8
497.33066	1.0
501.35846	1.7
503.33087	0.5
529.35449	11.9
530.35596	1.7
545.33496	1.9
546.33887	0.6
691.39984	0.7
751.42847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10855	1.0
60.73746	1.0
68.86656	1.1
72.99323	1.8
87.88783	0.9
98.14576	1.1
108.02171	17.6
109.02969	37.0
110.03326	1.3
112.93606	1.0
121.02986	3.6
122.03773	3.8
123.04523	15.9
134.03806	1.8
135.04530	31.6
145.02956	16.2
146.03751	30.3
147.04449	2.5
150.03242	4.4
151.04082	1.2
158.03786	5.1
159.04536	29.0
160.04883	1.5
161.02527	1.7
164.89830	1.0
173.02208	1.5
178.02692	1.4
179.03539	2.6
185.02457	9.2
186.03212	1.8
197.04709	2.1
201.01720	3.3
203.03519	1.4
205.01146	8.7
219.02750	29.2
220.03157	1.1
239.07149	1.9
248.04826	1.2
249.05547	4.3
250.06332	1.8
265.05075	3.4
266.05811	2.6
267.06638	21.0
268.07269	4.1
279.02744	1.2
283.09756	10.2
289.04840	2.5
290.05643	78.8
291.05960	5.4
293.04550	4.4
294.05222	1.7
295.06137	2.6
305.07962	18.9
309.07657	2.4
316.03683	1.9
321.04077	8.8
322.04349	1.4
327.08755	22.1
328.08984	2.0
339.05063	2.5
349.06906	21.0
353.06747	2.2
375.04886	3.0
393.05957	72.5
394.06219	4.8
452.54422	1.2
485.11920	1.8
516.80176	1.2
529.11169	28.1
530.11469	3.3
573.10168	100.0
574.10559	12.3
722.59027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97562	11.1
59.01377	13.0
60.99298	4.5
65.44917	2.3
69.09381	10.6
69.09805	6.3
71.01392	3.8
72.99307	23.2
88.98820	29.9
89.02494	3.0
96.96008	9.9
101.02477	2.8
101.04108	2.0
108.03294	5.0
109.02975	21.8
122.03760	2.3
123.04543	5.1
130.08788	12.7
133.02991	13.5
134.03708	7.8
135.04544	100.0
139.33725	2.5
145.02971	2.5
146.03734	2.1
150.03218	5.5
151.04051	5.6
156.21291	2.3
159.04559	2.8
160.19897	2.7
161.02486	24.5
179.03505	26.6
197.04585	13.0
239.07144	3.3
243.08087	3.2
251.07310	2.4
262.01883	3.3
267.06686	2.8
276.10422	2.8
303.13376	2.6
308.09424	2.4
311.05545	2.4
320.09305	9.0
321.03839	3.4
331.69171	2.3
346.07156	5.2
359.07535	2.5
364.08151	12.2
442.06097	3.8
459.16452	3.0
467.16144	3.5
477.16953	4.1
511.15741	6.4
519.09106	5.4
527.16882	6.4
529.16809	2.8
544.12567	10.9
555.19269	16.8
570.45416	2.8
573.15784	10.7
631.23157	2.3
649.38568	4.7
675.21759	6.5
709.21313	4.5
717.22418	3.9
753.20325	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	753.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97562	11.1
59.01377	13.0
60.99298	4.5
65.44917	2.3
69.09381	10.6
69.09805	6.3
71.01392	3.8
72.99307	23.2
88.98820	29.9
89.02494	3.0
96.96008	9.9
101.02477	2.8
101.04108	2.0
108.03294	5.0
109.02975	21.8
122.03760	2.3
123.04543	5.1
130.08788	12.7
133.02991	13.5
134.03708	7.8
135.04544	100.0
139.33725	2.5
145.02971	2.5
146.03734	2.1
150.03218	5.5
151.04051	5.6
156.21291	2.3
159.04559	2.8
160.19897	2.7
161.02486	24.5
179.03505	26.6
197.04585	13.0
239.07144	3.3
243.08087	3.2
251.07310	2.4
262.01883	3.3
267.06686	2.8
276.10422	2.8
303.13376	2.6
308.09424	2.4
311.05545	2.4
320.09305	9.0
321.03839	3.4
331.69171	2.3
346.07156	5.2
359.07535	2.5
364.08151	12.2
442.06097	3.8
459.16452	3.0
467.16144	3.5
477.16953	4.1
511.15741	6.4
519.09106	5.4
527.16882	6.4
529.16809	2.8
544.12567	10.9
555.19269	16.8
570.45416	2.8
573.15784	10.7
631.23157	2.3
649.38568	4.7
675.21759	6.5
709.21313	4.5
717.22418	3.9
753.20325	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	753.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	9.6
59.01386	7.4
59.65161	0.2
61.05909	0.3
62.31538	0.3
70.18388	0.5
71.01394	0.3
71.47354	0.2
72.99317	15.7
84.63409	0.2
85.02962	0.3
88.61440	0.2
91.76365	0.2
96.94733	0.2
99.04533	8.1
101.02460	2.4
105.03461	0.3
107.05066	0.3
109.02950	0.5
113.02446	0.4
117.03471	0.3
123.04542	6.5
125.02462	4.1
132.02185	0.9
133.02974	19.9
134.03697	0.6
135.04539	17.7
136.04854	0.4
142.66550	0.2
151.04036	0.6
161.02463	100.0
162.02818	1.8
179.03519	13.4
180.03897	0.3
197.04572	22.0
198.04974	0.3
223.02536	0.6
249.13470	1.7
291.14645	1.4
293.04822	0.2
331.17783	0.5
359.07767	38.9
360.08069	1.3
393.17731	4.3
443.86139	0.3
464.87677	0.3
754.31244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.2
62.41216	0.3
71.01422	0.3
71.43593	0.3
72.99315	14.4
75.34431	0.4
83.48497	0.3
84.62074	0.3
107.05013	0.3
109.02973	0.5
123.04539	7.0
132.02206	1.0
133.02969	18.8
134.03723	0.5
135.04536	17.4
151.04053	0.4
157.89462	0.3
161.02461	100.0
162.02794	2.2
179.03519	14.8
180.03833	0.6
197.04568	20.1
198.04987	0.3
199.31300	0.3
256.03873	0.4
257.04608	1.2
265.21231	0.3
329.17398	0.3
359.07755	39.3
360.08179	1.6
483.28732	0.3
681.24432	0.3
701.04425	0.4
753.28168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.7
60.46678	0.3
66.11398	0.3
71.01389	3.9
72.99311	1.2
73.02972	0.3
83.01402	1.1
85.02943	1.0
89.02459	2.0
91.05549	0.4
91.41625	0.3
95.05016	0.7
101.02445	1.5
102.94961	0.3
103.53334	0.3
105.03466	1.0
107.05072	0.8
109.02944	1.2
113.02433	0.8
117.03454	0.4
119.03503	1.2
121.02940	0.4
123.04544	1.2
133.02974	5.1
134.03806	2.8
135.04541	100.0
136.04892	1.5
145.02963	0.4
149.06137	0.5
151.04088	0.9
161.02457	7.6
161.13394	1.1
177.01942	2.6
177.05557	0.7
179.03514	36.8
180.03833	0.8
187.11357	2.4
197.04506	1.1
198.75681	0.3
205.12421	1.6
221.04646	1.5
229.12442	0.5
231.10350	0.4
249.11369	0.8
251.05721	0.8
267.06754	0.4
281.06744	1.4
297.09805	3.8
341.08859	1.8
359.07761	5.4
359.11996	0.6
393.15622	1.3
395.05481	0.5
411.16415	0.4
418.10159	0.4
485.21844	5.1
486.22217	0.6
529.20844	9.2
547.21771	1.0
573.11450	0.7
573.20966	3.3
591.20929	1.5
709.27216	6.6
710.27484	0.5
743.57471	0.4
753.26093	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	753.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	71.3
59.01388	24.8
71.01393	3.4
72.99315	15.2
73.02953	7.6
81.03468	4.6
82.59207	1.4
83.01402	27.8
85.02989	1.6
96.96033	3.6
98.21892	3.3
99.00793	1.6
99.04534	32.4
101.02453	28.6
109.02990	7.9
112.75552	1.5
113.02448	2.0
121.02985	7.9
122.03761	8.7
123.04544	9.9
125.02473	11.8
127.87544	1.7
133.02977	24.8
135.04550	27.0
143.03470	4.2
145.02989	3.1
146.03767	1.9
147.04535	4.8
151.04005	1.9
159.04529	4.5
161.02467	100.0
161.06082	3.8
162.02827	5.1
162.06845	2.1
165.05562	11.2
169.36841	1.5
179.03572	20.6
179.07114	4.4
191.07072	2.0
197.04576	14.6
203.03560	2.5
219.02765	2.8
221.04564	3.5
247.28879	1.7
267.06699	1.7
281.06650	3.1
290.05725	7.5
298.12259	1.7
305.08221	2.4
313.07147	3.8
313.14471	2.1
323.08093	1.7
327.08505	1.7
328.13086	4.5
341.08768	1.6
343.15680	10.3
346.14166	5.5
349.06763	1.7
359.07767	35.0
360.08148	2.4
361.16602	74.5
362.17017	3.2
373.57968	1.6
393.05829	5.0
403.17670	21.1
435.15854	1.7
443.20981	20.7
445.18875	9.1
474.24438	1.7
505.20840	29.0
506.21170	2.8
529.11523	2.1
573.10193	8.7
591.20886	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	753.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.7
60.46678	0.3
66.11398	0.3
71.01389	3.9
72.99311	1.2
73.02972	0.3
83.01402	1.1
85.02943	1.0
89.02459	2.0
91.05549	0.4
91.41625	0.3
95.05016	0.7
101.02445	1.5
102.94961	0.3
103.53334	0.3
105.03466	1.0
107.05072	0.8
109.02944	1.2
113.02433	0.8
117.03454	0.4
119.03503	1.2
121.02940	0.4
123.04544	1.2
133.02974	5.1
134.03806	2.8
135.04541	100.0
136.04892	1.5
145.02963	0.4
149.06137	0.5
151.04088	0.9
161.02457	7.6
161.13394	1.1
177.01942	2.6
177.05557	0.7
179.03514	36.8
180.03833	0.8
187.11357	2.4
197.04506	1.1
198.75681	0.3
205.12421	1.6
221.04646	1.5
229.12442	0.5
231.10350	0.4
249.11369	0.8
251.05721	0.8
267.06754	0.4
281.06744	1.4
297.09805	3.8
341.08859	1.8
359.07761	5.4
359.11996	0.6
393.15622	1.3
395.05481	0.5
411.16415	0.4
418.10159	0.4
485.21844	5.1
486.22217	0.6
529.20844	9.2
547.21771	1.0
573.11450	0.7
573.20966	3.3
591.20929	1.5
709.27216	6.6
710.27484	0.5
743.57471	0.4
753.26093	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	753.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81805	1.5
59.01384	11.7
61.98841	2.7
71.01382	7.5
78.91910	2.3
81.03474	4.4
83.05028	6.3
83.26295	1.6
85.02963	1.8
87.00857	2.1
89.02460	4.8
95.05038	1.6
97.02979	5.1
97.06622	3.0
99.00880	1.8
101.02454	5.5
109.02991	1.9
109.06606	23.1
110.03777	1.8
111.08163	3.3
113.02449	2.8
123.04529	2.4
125.09736	2.9
135.04546	2.0
135.08197	3.8
137.97484	1.6
161.04630	3.2
163.11308	18.6
165.12807	1.8
171.10228	2.6
181.12285	4.1
185.11899	2.3
197.11832	17.3
207.10280	52.3
208.10678	1.8
209.11848	100.0
210.12254	4.3
211.13431	4.7
225.11356	18.7
227.12912	11.9
235.08253	5.5
245.19032	5.2
253.09312	19.1
289.18124	22.0
291.19650	10.4
291.41779	2.0
307.19150	19.9
309.20792	31.6
355.41226	1.5
443.18842	2.1
445.21524	1.8
461.20535	7.6
668.62231	1.7
735.39392	1.8
753.40503	21.0
754.41412	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	755.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	5.1
59.01380	13.5
69.70206	8.4
71.01389	3.4
81.03464	12.0
83.01383	4.0
85.76981	2.1
89.02445	4.3
95.01334	2.7
95.05010	3.1
97.02969	5.1
98.21980	3.4
99.04533	7.3
106.90121	2.2
108.02194	18.9
109.02967	80.6
109.03709	5.7
110.31965	2.3
111.00932	4.1
121.02974	13.6
123.00895	3.9
123.04532	6.4
125.02475	33.2
135.00870	7.9
137.02464	39.6
138.03268	5.6
147.04506	3.6
147.69850	2.7
148.01659	3.3
149.02454	42.5
151.03969	3.7
152.02922	2.6
161.02429	6.2
163.00369	12.2
164.01167	8.7
165.01947	57.8
166.02715	12.7
167.03529	67.9
167.04860	2.4
174.03242	5.9
175.00269	2.7
175.04001	14.8
176.01225	5.9
176.86049	2.6
177.01929	10.8
179.03549	3.9
187.04018	3.0
190.99883	22.5
191.03525	7.4
192.00684	7.4
193.01440	70.3
194.01770	2.6
195.04549	3.1
198.03137	2.5
199.04054	15.8
201.02013	4.8
211.03955	4.1
216.04089	3.5
217.01456	3.4
217.05072	17.1
223.03954	9.1
229.05067	3.0
239.03484	3.1
241.05055	20.1
242.02063	2.6
243.02933	7.3
255.03185	2.9
257.04529	5.1
259.06088	9.0
267.03000	66.3
268.03271	6.2
284.03229	10.4
285.04062	93.9
286.04330	3.3
303.05154	65.8
309.04208	3.4
329.08728	22.9
339.07147	9.8
355.06650	18.5
379.06934	3.6
438.08029	3.8
439.08954	6.0
447.09473	37.7
448.09912	3.6
465.10483	55.4
466.10965	3.5
489.10458	26.5
507.11584	11.2
531.11377	13.9
541.11328	5.7
549.12579	100.0
550.13110	11.6
583.37372	3.0
601.14209	9.2
651.15985	11.6
669.16919	10.7
711.17682	34.3
718.14996	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	755.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	6.6
62.18298	2.0
66.97259	1.6
67.13122	1.9
67.63975	2.0
69.68169	3.9
69.68523	5.4
71.01384	4.2
72.35263	2.1
72.99294	2.1
74.01019	1.9
81.03461	4.6
82.26614	1.7
87.00873	2.0
88.97301	1.7
89.02458	2.1
98.21841	3.3
99.04553	2.0
107.01396	2.7
108.02175	5.1
109.02958	35.6
121.02946	4.2
123.04575	4.4
125.02440	19.8
135.00888	7.6
135.04538	12.4
137.02446	15.8
138.03288	2.3
148.01729	2.7
149.02454	29.1
159.04517	1.9
161.02481	10.0
163.00391	9.9
163.04022	3.7
164.01155	7.4
165.01942	25.5
166.02719	9.8
167.03522	21.9
173.02454	2.6
175.04021	8.6
176.01161	4.3
177.01973	3.6
179.03517	4.1
179.04959	2.2
183.04491	3.2
185.06013	2.3
189.01880	2.1
190.02673	2.3
190.99875	36.8
191.03476	6.2
192.00648	8.4
193.01425	55.7
197.04587	3.1
199.04019	11.6
201.01965	3.6
211.03986	5.1
212.04790	2.7
213.05559	2.6
215.03531	2.1
217.05086	4.3
219.03001	2.3
223.04085	10.0
227.03409	9.8
229.05046	3.3
239.03397	3.1
240.04156	2.4
241.05087	10.3
255.02991	24.6
257.04562	6.6
267.02997	100.0
283.02548	29.2
284.03271	40.7
285.04050	93.4
286.04309	3.2
292.35977	2.0
303.05032	4.7
309.04224	4.8
327.04980	2.3
329.09000	11.0
339.07306	10.7
351.13080	2.7
355.06732	29.7
377.08774	5.5
378.06415	2.2
438.07974	4.3
439.08698	9.0
446.08731	3.2
447.09402	50.3
448.09106	3.4
464.35663	1.9
465.10394	24.6
489.10550	6.5
531.11328	16.3
541.11987	3.2
542.59894	2.4
549.12445	14.1
593.15186	72.2
594.16016	2.1
601.14270	14.3
711.18060	11.0
755.19867	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	755.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87056	0.6
55.50443	0.5
59.01383	6.8
60.26960	0.5
60.99310	13.1
62.62809	0.5
64.54303	0.5
70.77763	0.8
71.01389	5.1
78.95920	0.6
85.02972	0.4
87.00890	2.3
88.98811	100.0
89.02441	8.0
89.99142	0.9
96.96040	0.7
101.02451	4.6
107.26160	0.5
113.02467	2.2
119.03509	0.9
125.02448	0.5
141.23589	0.5
143.03490	1.0
160.64954	0.5
161.04655	0.7
175.89014	0.5
179.05661	3.8
197.82787	0.5
203.05867	0.6
221.06648	1.7
304.84918	0.5
313.00290	0.5
341.11011	2.8
383.11945	6.1
405.09155	0.6
443.14096	0.8
463.05130	0.6
485.15234	1.4
665.21716	8.1
666.22040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47858	0.8
55.01879	1.6
59.01385	60.2
60.99325	1.2
69.03491	1.2
71.01386	39.3
73.02946	10.0
73.30992	0.8
75.00871	1.3
78.64182	0.9
83.01391	1.8
85.02950	9.1
87.00883	13.2
88.98809	6.6
89.02452	96.4
90.02771	1.2
91.11198	0.9
95.01408	1.4
97.02961	2.3
98.21894	2.8
99.00898	1.7
101.02449	39.4
111.00901	1.1
113.02467	18.1
119.03530	9.3
125.02446	4.6
129.91873	0.9
131.03516	3.1
141.01956	1.2
143.03520	11.2
149.04561	1.1
161.04604	6.8
171.41003	1.0
173.90585	0.9
179.05630	30.3
203.05614	5.0
204.06316	0.9
214.90428	1.1
220.27634	0.9
221.06664	12.9
281.08801	1.8
287.42078	0.9
311.09909	1.2
323.09869	2.7
341.07019	1.8
341.10898	24.6
342.11264	1.2
383.11960	59.3
384.12238	3.6
413.13440	1.2
443.14041	14.5
485.15176	14.6
503.16226	3.8
665.21521	100.0
666.21704	8.8
667.21527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.7
61.98832	3.2
67.96375	1.0
69.35979	5.3
70.16479	0.9
71.01407	5.6
72.38127	0.9
72.99300	3.4
87.00877	3.5
88.98830	3.4
89.02473	1.5
91.01868	1.6
93.03460	2.0
95.01390	1.3
96.96027	2.6
101.02448	3.5
103.00372	2.8
107.04979	1.2
109.02962	2.7
112.98811	4.8
113.02442	1.8
119.01393	4.3
121.02946	4.7
123.04536	1.7
124.01697	1.2
125.02400	1.1
130.99895	1.4
132.02150	3.7
133.02966	5.4
134.03690	3.9
135.04561	9.9
136.01678	25.2
137.02441	3.9
147.00883	4.1
149.02454	12.4
150.03238	2.6
151.00436	6.6
151.04022	32.8
159.04539	1.4
160.01686	8.6
161.02478	9.3
162.03159	2.2
163.04016	2.6
164.04823	14.9
166.02719	20.5
167.03514	1.7
167.10765	9.5
175.00385	23.9
175.03990	13.9
176.01071	1.8
177.01907	3.4
177.05611	1.5
179.03510	4.2
179.07123	3.7
181.05122	19.8
190.02734	60.8
191.03435	2.9
193.01480	1.4
193.05003	3.0
205.05080	69.3
206.05687	1.9
207.06592	1.3
208.03812	1.4
209.04541	2.4
221.08139	1.5
223.06143	15.6
233.61067	1.3
247.06059	1.8
251.05533	1.9
282.09943	2.7
299.11450	9.3
337.09387	12.3
357.09549	5.2
357.13821	5.9
367.10364	100.0
368.10715	3.2
372.12198	4.0
373.12964	7.5
387.14529	20.8
403.13959	2.2
593.26251	1.5
651.39905	3.9
669.40588	3.0
699.99615	1.5
755.25586	30.5
756.26190	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	755.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03456	0.4
59.01386	100.0
60.01722	0.5
61.98837	2.2
69.42075	1.0
69.42457	1.1
70.64891	0.4
71.01389	7.1
72.73993	0.5
72.99339	0.8
73.02953	3.4
83.01403	1.7
85.02967	3.7
88.98802	0.6
89.02482	1.0
90.08089	0.4
95.01441	0.6
96.96013	3.1
99.00899	0.8
101.02453	8.4
105.03500	0.4
109.02962	0.6
110.82845	0.5
112.98898	0.6
113.02456	2.8
123.04536	0.6
133.02997	1.4
135.04526	2.7
147.09563	0.4
155.33708	0.4
159.03026	0.8
161.02446	2.5
161.04524	2.3
177.43181	0.4
179.03497	1.4
194.95988	0.4
197.04871	0.4
215.48434	0.4
216.16701	0.4
291.18158	14.2
292.18335	0.4
299.11310	0.7
333.19156	5.0
423.21130	0.4
507.85901	0.5
511.58636	0.5
696.56622	0.5
747.75049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.9
60.99315	16.6
64.35096	0.4
65.61971	0.3
71.01390	1.6
72.99325	0.9
87.00886	1.1
88.00400	0.8
88.98817	100.0
89.02456	9.3
100.13046	0.4
101.02430	0.7
108.00446	0.4
113.02453	0.7
119.05123	0.4
120.76831	0.4
121.02995	0.9
126.31670	0.4
133.02997	1.0
134.03764	0.7
135.04535	3.1
137.06119	1.2
161.02446	3.5
161.13390	0.5
162.02692	0.5
163.03955	0.5
166.06360	3.2
175.29002	0.4
179.03549	1.4
181.05116	2.4
181.08748	2.8
187.11349	1.1
197.04642	0.9
205.12355	0.7
234.10838	0.4
264.19034	0.4
343.10184	0.5
351.02982	0.5
359.07651	0.8
575.25470	3.3
755.29767	1.4
785.62311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75625	2.8
59.01387	50.6
61.98837	100.0
69.44324	11.1
71.01396	20.7
71.54535	2.6
72.99319	9.6
73.02966	8.8
73.34775	2.6
75.69395	2.5
82.95426	7.0
83.01405	3.6
84.08133	2.7
85.02959	11.3
87.00895	3.4
88.98814	9.0
89.02477	3.2
89.52892	2.4
94.98029	3.7
96.96024	9.9
99.00877	3.1
101.02453	16.0
103.84981	2.7
109.02986	4.3
113.02464	12.4
119.05081	6.8
123.04515	2.6
133.02965	20.7
134.03737	4.8
135.04539	35.9
143.03473	3.0
149.02493	3.2
160.01668	13.1
161.02477	34.6
162.70943	2.9
163.04076	5.3
166.02780	6.9
175.04019	16.4
177.01982	3.1
179.03558	14.9
181.05077	18.6
193.05095	4.8
197.04585	7.1
198.94592	2.5
321.04095	4.9
337.09402	16.1
339.05185	4.2
359.07870	3.9
473.08658	6.3
489.34457	3.7
507.35605	6.0
531.33136	4.0
532.33624	7.8
533.34015	17.9
593.22552	14.9
651.39716	49.9
652.40167	4.7
669.40558	31.1
670.40991	4.0
671.00671	2.9
711.41699	12.6
755.25519	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38366	78.1
70.68745	91.1
70.69067	100.0
80.15755	81.8
89.06058	72.5
115.92151	72.0
138.20926	81.6
185.67137	89.2
400.45370	85.0
651.61371	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	756.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68410	3.4
72.99303	6.3
78.81059	0.7
88.98833	2.1
94.90559	0.9
96.96038	1.4
109.02960	28.8
121.02953	1.7
123.04460	1.1
135.04546	9.0
147.04541	1.3
149.02463	1.4
157.02931	1.8
159.04550	3.8
161.02461	1.2
173.02484	1.7
175.04041	1.1
179.03577	2.3
185.02441	22.1
186.03154	3.7
193.06573	0.9
197.04553	3.9
209.06100	1.6
220.05226	2.2
221.06120	3.5
225.05582	2.5
232.05594	0.9
237.05542	1.8
239.07190	1.7
247.03946	1.5
248.04785	2.3
249.05586	8.4
251.03497	3.8
251.07260	0.9
252.04315	1.5
264.04214	1.4
265.05048	7.0
267.06674	3.4
275.03635	1.2
276.04208	2.3
277.05035	11.0
279.02991	13.3
280.03656	4.6
292.03995	1.1
293.04602	13.3
294.05051	1.1
295.06143	21.2
296.06335	1.9
303.03070	1.6
321.04065	100.0
322.04391	4.9
339.05093	27.9
340.05472	3.4
491.46265	1.1
493.11533	2.4
519.09381	38.3
520.09515	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	757.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14799	1.8
59.01375	6.7
59.62929	1.9
59.92592	2.0
67.21275	1.9
71.41073	2.1
72.99304	5.0
73.02946	4.8
74.28548	1.9
85.29280	1.9
85.51803	2.2
96.96032	2.8
101.02434	2.9
108.02184	61.2
109.02982	16.7
110.03371	1.9
121.03000	2.0
123.04539	35.7
124.01668	2.8
133.02992	2.5
135.04523	6.5
137.02429	3.5
145.02962	12.4
146.03757	14.0
147.04538	12.8
148.01776	2.6
151.03983	2.7
157.03015	3.4
158.03723	5.4
159.04521	60.1
161.02411	5.1
167.03436	2.4
171.04582	2.2
173.02463	3.0
175.03981	3.9
177.01924	4.2
179.03458	4.2
183.04591	3.9
185.02469	25.9
186.03201	7.4
187.03990	2.3
197.04465	3.3
197.06090	5.6
198.03090	1.9
201.32700	1.9
207.02983	3.3
209.06168	13.9
211.03928	5.3
212.04773	3.6
213.05498	2.3
221.05988	2.6
224.04858	4.5
225.05614	10.1
227.03415	3.3
228.04311	6.1
235.04170	4.5
236.04802	5.6
237.05548	15.1
238.06339	3.0
239.03494	3.3
239.07137	2.3
241.04987	5.7
243.06616	7.7
249.05618	3.2
251.03511	2.3
252.04248	3.9
253.05119	21.9
254.05884	7.8
255.02963	3.1
255.06601	3.8
256.03995	2.6
263.03384	4.2
264.04376	5.7
265.05069	12.1
266.05759	5.7
267.06732	11.2
268.07379	4.0
269.04507	2.8
271.05978	9.8
276.04208	2.5
277.04968	5.2
279.02969	5.7
279.06525	2.1
280.03476	5.1
281.04584	26.4
281.07782	3.1
282.05173	3.9
283.06281	4.2
283.09726	8.4
284.03198	4.9
287.05585	4.2
293.04620	14.4
294.05365	7.5
295.06134	17.5
296.06573	2.3
299.05692	4.9
309.04187	4.6
309.07626	8.3
311.05426	3.4
313.07184	29.4
314.04303	4.6
314.07690	3.0
315.05148	4.8
321.04138	11.5
323.05603	10.2
327.05017	7.8
327.08658	33.8
329.06631	7.2
333.06204	3.1
339.05109	9.9
340.05106	2.7
341.06656	38.8
353.06641	71.0
354.06946	4.2
357.06174	5.1
359.07764	24.4
360.07813	2.0
385.05655	8.1
403.06729	100.0
404.07150	4.8
421.07642	2.4
471.31400	11.3
472.31412	4.6
641.32300	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	757.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
71.43118	0.9
72.99305	1.5
75.32526	0.6
77.03976	3.2
89.03957	1.5
93.03472	1.4
95.05038	8.4
96.96028	6.6
105.03479	19.2
109.02969	15.9
117.03516	1.5
121.02967	2.6
123.04572	2.4
131.48813	0.7
132.02226	1.6
133.02975	100.0
134.03258	1.0
135.04538	3.1
149.02475	2.2
151.03975	0.9
158.03683	0.8
159.04541	0.7
161.02448	7.0
177.01953	73.4
178.02301	1.1
179.03610	1.7
197.04558	1.2
211.07631	1.0
222.06783	0.7
223.07906	0.8
239.07132	3.4
250.06433	1.6
266.05890	1.2
267.06635	13.6
268.06900	0.8
294.49155	0.7
311.05725	0.8
523.28937	0.8
550.80505	0.7
583.53973	0.7
596.61414	0.7
651.98810	0.7
699.74030	0.7
708.14935	0.7
738.06958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.2
61.98800	0.6
69.43061	2.5
72.99290	0.7
74.73986	0.5
82.95412	0.6
96.96037	3.5
116.92843	2.4
123.04485	0.5
133.02946	1.2
134.06108	1.6
135.04504	1.2
135.64368	0.6
161.02457	4.5
179.07147	1.3
190.05078	1.6
198.09219	2.4
212.05791	0.6
212.10921	0.5
214.08804	0.8
224.09587	1.0
226.07428	1.9
228.09050	3.9
239.11931	10.8
241.09842	78.1
242.10179	3.6
243.11386	1.5
255.11411	1.1
256.12186	42.3
257.12427	1.8
277.10031	0.7
300.11224	9.9
315.13538	100.0
316.13843	4.7
323.10342	1.0
329.17651	1.1
337.12076	1.9
359.07416	0.9
394.12112	0.6
397.13986	6.2
398.14832	1.0
605.24243	1.1
637.27051	2.0
650.76813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18761	31.4
53.28043	31.1
70.33762	100.0
72.02772	36.2
78.52418	33.7
90.14024	34.7
112.59029	36.0
230.95064	34.8
253.31635	35.5
261.25986	42.3
263.31586	38.8
274.59213	32.7
277.21713	39.2
461.20505	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.0
64.05836	5.2
64.68574	4.8
69.26885	32.7
71.48901	6.2
97.07484	5.5
98.22652	12.7
104.25449	5.3
105.78532	5.7
109.06602	16.2
163.11328	11.6
189.09230	11.1
207.10280	99.3
220.21133	6.0
225.11299	27.7
253.09344	17.9
277.21771	100.0
278.22009	7.9
443.19086	20.1
461.20340	17.0
555.89282	6.7
623.97546	7.0
660.74268	8.0
721.41992	56.4
722.42010	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	757.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.7
61.98827	7.7
70.53928	5.5
70.54244	4.5
88.98819	4.1
95.80362	3.4
109.06626	8.7
134.52834	3.6
207.10291	63.8
225.11383	16.9
231.28424	3.3
235.08199	6.9
253.09229	11.3
277.21759	100.0
278.22046	6.5
310.66498	3.4
314.15054	4.6
443.19250	6.1
461.20599	5.1
503.54120	4.2
513.31165	4.4
539.83484	4.1
721.41718	40.0
722.41730	7.4
757.39886	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	758.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.0
61.98830	13.7
69.84982	1.3
72.99318	20.6
79.95741	1.8
89.18336	1.4
94.06632	4.7
96.96027	74.5
98.22704	2.8
98.95604	2.2
106.06639	5.6
107.03770	7.4
107.05032	1.4
109.02908	2.4
116.92934	1.7
121.02994	4.4
122.06147	21.0
123.04527	5.8
124.07692	1.5
132.04614	1.7
132.08258	3.1
133.02985	8.0
134.03764	3.7
134.06163	11.9
135.04550	28.8
136.04846	1.5
149.02464	3.5
150.05592	1.4
152.07187	36.9
160.04073	2.2
161.02483	20.7
162.01894	1.9
174.05635	1.6
175.02792	2.3
179.03531	10.5
197.04561	5.9
222.07764	2.8
236.09451	1.6
249.10423	1.5
249.14090	1.6
250.11049	1.9
251.11876	5.3
263.11966	2.0
265.13553	2.5
268.06201	1.4
269.07089	2.1
275.12021	3.3
276.08948	2.2
277.09827	6.2
277.13330	2.8
281.06860	2.5
282.07742	3.1
290.10559	4.4
291.11362	3.8
293.12939	6.0
296.09317	1.9
297.06647	2.0
305.12875	9.0
308.05664	1.5
309.00812	1.3
312.08908	1.9
319.10934	9.3
321.12436	1.8
323.10434	1.7
326.06641	1.8
328.08212	1.5
331.10818	3.6
335.10538	1.9
337.12100	6.2
340.08261	6.3
346.09393	1.5
349.11871	5.3
356.07700	2.1
358.09369	26.6
359.09607	1.5
363.09763	2.6
381.10840	6.0
384.07092	1.8
393.10681	2.0
402.08292	25.8
403.08496	4.0
456.19708	1.8
474.20459	2.1
482.16977	3.1
484.18912	4.4
500.18121	4.7
502.20013	3.2
518.19330	6.3
520.12433	1.5
522.14178	1.9
528.17908	15.0
546.18848	42.7
547.19336	3.2
552.14655	2.2
560.20300	6.6
578.21588	3.9
726.23102	100.0
727.23450	16.3
758.25787	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	759.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	21.4
69.17937	3.5
69.18332	1.3
72.99305	6.7
88.98814	100.0
108.02186	15.7
109.02965	13.1
121.02930	1.3
123.03735	1.3
123.04545	14.0
133.03038	0.9
135.04541	8.1
141.65186	0.8
145.02985	3.3
146.03735	1.4
147.04529	2.9
148.01662	2.9
149.02411	2.1
157.02985	1.3
158.03763	1.0
159.04561	5.8
161.02501	1.5
179.03555	7.0
181.83951	0.8
185.02449	28.7
185.04109	1.6
186.03241	6.8
193.06656	1.1
197.04552	9.0
197.13223	0.8
207.03000	3.9
209.06184	1.5
221.06120	1.6
225.05576	1.9
237.05537	2.4
239.07053	0.8
249.05673	3.2
251.03516	2.3
252.04224	1.6
265.05057	7.1
266.05740	2.5
267.06638	2.7
276.04330	2.4
277.05054	5.3
279.03061	8.2
280.03748	2.3
292.03525	1.0
293.04596	11.6
294.05328	10.0
295.06104	10.0
304.80173	0.8
309.07709	37.8
310.08017	2.4
321.04044	19.7
322.04401	2.4
327.08878	1.6
339.05106	43.4
340.05423	2.5
353.06689	46.0
354.06992	3.1
519.09375	2.1
669.12323	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	759.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87973	0.9
55.14645	0.7
59.01383	1.6
68.54554	0.8
69.80499	0.9
72.99322	6.7
93.03450	1.7
96.96008	3.3
98.81864	0.7
108.02180	3.5
109.02961	6.7
115.71483	0.8
119.05009	1.3
120.91769	0.7
121.02966	2.9
123.04528	4.8
125.41994	0.8
133.02975	2.8
134.03737	1.6
135.04533	15.4
137.02432	1.2
145.03012	1.4
147.04573	1.2
147.10680	0.8
149.02466	1.1
149.06137	1.0
159.04524	2.7
160.01680	1.3
161.02463	4.0
163.03995	1.5
173.02451	1.4
177.01968	1.2
179.03523	4.3
181.05075	2.3
185.02411	8.0
186.03178	3.4
187.04001	2.8
197.04576	6.6
204.95695	0.7
207.02802	0.8
209.09810	0.9
221.06197	1.2
222.06590	0.9
225.01639	0.8
235.07671	2.7
237.05556	1.1
237.09302	2.7
238.06375	2.1
248.04915	1.3
249.05515	2.1
250.06325	2.1
253.08755	2.4
261.05557	1.3
263.07120	2.8
264.04327	1.3
265.05048	2.7
265.08652	2.2
266.05759	3.0
267.06476	1.6
276.04214	1.6
277.05099	2.1
279.03098	1.7
279.06491	1.2
280.07257	1.2
281.08194	8.7
291.06631	3.1
292.03867	1.5
293.04602	5.5
294.05280	5.3
295.06140	3.5
307.06183	2.4
308.06815	1.0
309.07733	23.0
320.03290	1.8
321.04083	6.0
325.07150	1.9
327.08768	1.2
335.05612	8.7
339.05139	5.7
340.05682	0.9
353.06699	100.0
354.07004	5.7
379.04602	1.4
397.05823	1.2
460.20724	0.8
484.42795	0.9
507.13028	1.6
517.11292	7.1
533.10895	46.3
534.11285	2.9
551.12305	0.8
631.99780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00891	1.1
59.01376	3.6
59.17653	0.9
72.99314	49.7
74.51398	1.1
91.01888	1.7
91.05508	1.2
93.03432	1.8
107.05045	2.1
108.02181	31.1
109.02979	11.9
115.97205	1.1
117.03460	3.2
121.02975	3.4
122.03807	2.1
123.04541	37.6
132.02156	1.8
133.02971	2.9
134.03769	6.9
135.04543	97.2
137.02470	3.3
138.03285	2.2
144.02203	4.1
145.02971	32.6
146.03746	5.9
147.04538	4.5
149.02396	3.0
150.03230	2.8
151.04050	3.3
157.02948	3.3
158.03754	3.4
159.04538	13.9
160.01730	4.3
161.02481	5.7
162.98518	1.0
163.04092	1.2
165.05542	1.2
166.02739	2.9
173.02440	3.5
175.03987	2.8
179.03510	34.4
181.05099	4.4
185.02460	61.6
186.03230	14.7
197.04575	85.1
208.05313	1.2
209.06111	3.1
210.06940	1.8
219.04509	3.2
220.05327	3.2
221.06079	4.2
224.04831	1.8
233.06104	3.0
235.04167	2.5
236.04799	4.7
237.05595	3.3
238.06313	4.6
247.03969	3.9
248.04782	8.3
249.05658	9.5
251.03601	3.5
252.04250	3.0
260.04779	1.5
263.03595	3.9
263.07077	1.6
264.04355	9.0
265.05075	17.0
266.05841	17.1
267.06577	7.0
275.03464	4.5
276.04211	12.9
277.05054	22.6
278.05685	2.6
279.02884	3.9
281.08188	2.9
283.09784	6.3
291.03116	4.6
291.06616	3.4
292.03839	17.1
293.04599	29.0
294.05341	38.6
295.06021	4.5
303.03131	1.5
304.03775	3.9
305.04462	1.1
307.06161	8.4
309.07693	100.0
310.08014	2.9
311.05573	4.3
319.02466	2.5
320.03253	16.9
320.06714	1.4
321.04053	11.6
322.04440	2.1
327.08749	15.8
331.96796	1.2
335.05621	96.2
336.06027	2.6
339.05072	5.8
353.06671	74.7
354.07065	2.8
507.13016	29.9
508.13733	1.4
517.11584	1.9
519.09625	2.5
533.10931	47.4
534.10986	1.8
551.12268	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	759.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	19.5
72.99310	11.9
84.66874	1.1
88.98814	93.9
98.21899	3.3
108.02181	33.2
109.02966	21.3
110.03209	1.2
111.73125	1.2
117.03532	1.4
119.01357	1.5
123.04530	28.8
133.02902	1.5
134.03804	1.8
135.04536	16.7
137.02470	2.0
145.02975	6.8
146.03740	3.7
147.00894	2.8
147.04550	3.9
148.01694	6.3
149.02412	2.0
151.04005	2.0
157.02983	3.5
158.03720	2.4
159.04529	15.6
173.02470	2.7
175.00323	1.7
175.04037	1.3
179.03526	12.9
185.02460	50.8
186.03217	14.2
197.04573	16.5
197.06175	1.9
207.03000	7.9
223.07506	1.6
237.05629	1.9
238.06392	2.1
247.03821	1.8
248.04744	1.8
249.05583	5.8
250.02946	1.3
251.03423	4.2
251.71545	1.4
252.04160	2.2
264.04254	1.6
265.05084	20.2
266.05737	6.8
267.06635	3.5
276.04288	2.8
277.05029	8.2
279.03027	12.5
280.03638	3.8
283.09769	3.4
285.63715	1.3
292.03748	2.0
293.04584	21.9
294.05347	20.4
295.06058	13.3
303.02914	1.5
309.07727	75.9
310.07999	4.6
321.00610	2.2
321.04105	31.7
322.04443	2.5
327.08640	2.7
335.05667	1.4
339.05121	39.8
340.05447	3.3
353.06705	100.0
354.06985	5.3
519.09491	8.0
669.13049	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75695	0.4
56.06465	0.3
59.01387	0.6
59.04052	0.4
64.14444	0.4
72.99316	14.8
73.02927	0.5
101.06091	1.3
108.02188	39.7
109.02990	10.9
121.14280	0.4
123.04537	6.1
132.02205	0.9
133.02974	20.1
134.03667	0.7
135.04547	17.7
136.04861	0.9
151.04031	1.3
152.01169	26.2
153.01962	7.3
161.02461	100.0
162.02827	2.9
163.03987	1.1
177.01917	0.7
179.03516	14.8
185.02472	0.5
197.04570	23.4
198.04929	1.2
223.02556	0.8
228.96761	0.4
267.78140	0.5
292.03848	0.5
293.04352	0.4
309.07809	0.7
335.05618	0.7
353.06610	0.5
357.06293	0.9
358.06229	0.4
359.07761	48.0
360.08124	2.8
391.33344	0.4
399.12994	39.6
400.13498	3.6
401.13577	0.6
445.11484	0.4
533.11078	0.6
558.65729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	42.0
66.34657	1.0
70.75700	1.5
80.05078	3.7
84.88499	1.0
104.05051	1.6
106.06637	10.2
107.03728	2.0
121.05297	1.8
122.06147	19.9
130.06660	1.6
132.04552	1.3
133.02986	4.5
134.06143	38.3
136.07697	2.7
146.06125	2.9
152.07202	3.9
158.06152	1.4
160.04095	2.7
160.06421	2.2
161.02470	19.9
162.05519	1.2
174.05583	3.4
180.06667	2.4
186.05687	1.3
188.07115	5.3
194.08246	3.9
211.08728	2.2
213.10368	10.9
223.08864	1.5
225.10349	6.7
226.11136	3.1
227.11971	4.0
237.10403	2.6
239.11874	12.2
241.13461	8.9
249.10373	3.6
250.07463	2.6
251.08321	3.6
251.11913	3.3
252.08963	1.3
253.09822	4.0
262.07657	1.7
263.08282	2.9
264.09094	2.4
265.06277	1.3
265.09769	8.6
266.10556	2.2
267.11487	4.2
277.09821	11.2
278.07428	6.2
278.10184	5.7
279.07700	6.6
279.11340	3.9
285.12476	26.4
291.07764	2.9
292.08618	2.5
293.09354	24.4
293.12924	6.9
294.10178	7.2
295.10950	11.0
296.11066	1.2
305.09415	6.1
306.10165	6.6
307.10931	12.0
308.11459	1.1
309.12497	3.4
313.07242	4.9
319.10983	1.4
321.12436	2.7
337.08304	16.8
337.11905	2.5
338.08963	2.0
339.09775	1.9
342.12637	1.4
344.17953	1.3
351.09860	2.1
355.13074	2.3
356.14215	1.9
356.18021	1.4
358.15768	6.7
365.11438	4.8
370.15707	2.5
371.16507	1.7
382.16321	1.7
384.13281	1.8
385.14191	2.2
397.14120	3.4
398.15265	3.4
399.15915	2.8
400.16644	12.4
412.16702	4.0
413.17450	2.0
414.18115	3.4
418.17584	1.8
426.14551	4.2
440.16055	3.2
441.17114	5.2
442.17731	8.7
456.19415	4.7
460.19214	1.8
468.15662	2.7
472.15106	1.6
473.19598	2.4
474.20554	2.1
485.15802	2.1
486.16827	7.0
500.18402	2.2
502.19873	4.7
504.18033	1.4
505.22470	3.2
516.21442	13.3
518.19257	1.7
532.21173	1.3
545.17981	4.6
546.18915	19.1
547.23828	7.5
560.20459	34.2
561.20728	3.2
565.24774	3.3
577.20459	2.6
578.21613	2.6
579.26593	2.4
591.22729	4.4
592.23041	41.5
593.23340	4.0
607.25739	28.0
608.26282	2.0
623.25067	7.4
639.28284	33.6
640.28729	3.3
641.26837	1.8
651.24713	17.6
652.25049	2.8
683.27295	100.0
684.27521	13.1
684.89502	1.4
715.29803	20.7
716.30383	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	759.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	65.9
69.40055	18.1
72.99328	4.2
80.05043	6.7
84.79152	3.4
84.95106	8.6
95.69673	4.0
98.22616	6.3
106.06627	15.1
107.03691	3.7
108.04541	3.9
120.72495	3.8
122.06120	38.9
123.58636	4.6
133.02966	5.2
134.06140	54.9
135.04543	8.0
152.07182	8.6
160.03998	7.7
161.02466	18.3
161.04776	4.0
174.05666	7.2
179.03659	5.0
180.06694	7.1
188.07211	7.1
190.05083	4.1
211.08826	3.9
213.10287	10.0
215.56406	3.8
225.10443	8.7
227.11942	7.0
233.41383	3.4
237.10474	6.7
239.11853	21.2
241.13428	10.0
249.10452	4.8
250.07539	5.6
250.11491	3.9
251.08337	6.3
251.11787	3.7
252.08908	4.4
265.09879	12.1
267.11490	5.8
277.09912	7.5
278.06952	12.5
278.10605	6.3
279.07782	11.5
279.11371	7.1
285.12494	27.3
293.09317	26.6
293.12656	5.5
294.09995	10.5
295.10834	17.3
300.38104	3.6
305.09378	6.3
306.10049	6.0
307.10773	17.8
337.08298	23.7
357.14566	4.3
358.15463	8.0
365.11395	4.7
367.12787	4.5
369.14926	3.9
370.15912	5.0
371.12146	4.0
371.16556	3.8
372.17258	7.6
384.07495	4.0
384.13290	7.0
385.14221	4.7
399.15637	7.4
400.16901	18.1
401.17419	4.9
413.17252	3.7
414.18185	5.0
434.83829	4.4
440.15839	4.8
441.16644	6.3
442.17883	12.8
458.17276	5.0
460.19324	6.5
472.14990	3.9
474.20670	6.6
486.16525	6.5
501.18893	7.1
516.21429	13.3
520.20807	10.4
532.21619	4.1
546.18915	19.9
547.23645	7.3
560.20447	36.9
561.21069	6.8
565.25214	6.5
577.20941	4.7
578.21539	13.9
591.22144	8.2
592.23108	83.4
593.23621	6.0
607.25732	29.8
623.25226	10.6
639.28363	22.6
651.25061	33.2
652.25409	4.0
653.63757	4.5
683.27332	90.6
684.28314	7.5
715.29913	100.0
716.30206	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	759.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93722	1.9
59.01382	40.0
66.36803	1.9
69.18792	13.0
72.28859	2.5
72.99315	4.7
80.05045	2.5
106.06641	5.4
107.45656	2.3
122.06127	12.5
130.06664	2.4
133.02953	10.6
134.06134	30.3
135.04527	5.4
146.06126	2.4
161.02466	35.0
165.83139	2.3
174.05614	3.8
179.03503	3.6
188.07196	6.0
194.08282	2.8
213.10364	6.0
225.10204	5.2
227.11876	3.9
237.10327	4.4
239.11911	6.7
241.13539	4.3
249.10333	3.0
250.07458	7.8
253.09880	4.6
263.08331	4.3
265.09848	11.9
267.11365	5.4
277.09851	10.4
278.06894	10.8
278.10568	4.3
279.07758	15.9
279.11105	3.7
285.12573	10.2
291.07834	8.2
292.08490	3.1
293.09412	47.5
293.12833	4.3
294.10101	12.0
295.10950	7.8
305.09326	5.2
306.10004	6.7
307.10889	7.4
337.08313	23.8
338.08939	3.8
356.14105	3.0
365.11349	3.2
370.15817	3.1
383.12622	2.7
398.14978	3.8
400.16650	4.1
412.12506	3.2
413.17331	6.9
426.14511	5.4
441.17047	6.7
442.17798	7.2
456.19296	8.1
486.16571	7.9
500.18518	4.2
501.18842	4.4
502.19998	3.6
516.21613	16.1
545.18097	8.6
546.19049	12.1
547.23431	6.8
560.20410	86.8
561.21014	8.0
577.20544	4.8
578.21198	5.1
592.23053	100.0
593.23431	11.6
607.25543	10.3
623.24799	3.5
639.28430	16.8
640.28467	3.0
651.24438	8.3
683.27319	67.4
684.27448	8.8
715.29816	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	761.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.1
67.47235	1.7
69.62104	5.2
69.62484	3.3
72.99322	18.8
93.03476	1.8
96.96034	2.7
98.22707	1.5
109.02985	4.7
117.03471	1.7
123.04565	8.9
133.02969	25.9
135.04536	29.0
145.02945	1.9
149.02502	2.7
150.03268	4.2
151.04021	2.6
161.02464	100.0
162.02829	2.6
167.79308	1.6
179.03506	20.6
186.31812	1.6
197.04562	23.4
267.06641	7.5
273.45694	1.7
283.06210	3.8
311.05621	16.4
326.08090	1.7
329.06708	5.6
359.07730	49.7
376.59555	1.7
438.10300	1.9
491.09885	3.4
509.10977	29.5
521.10522	2.4
671.13666	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	761.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.3
60.99320	1.5
70.07441	1.0
72.99315	12.7
88.98814	6.9
103.83816	0.8
109.02962	3.7
110.40318	0.8
121.02968	1.1
123.04559	4.3
133.02971	17.7
134.03662	0.9
135.04544	19.0
137.02568	0.8
149.02469	9.0
150.03259	6.7
151.04015	1.7
161.02461	100.0
162.02826	4.4
163.11743	0.8
177.02010	1.1
179.03510	14.6
180.03854	1.3
197.04549	14.5
197.06157	1.2
206.97595	0.8
209.76836	0.9
265.04987	1.0
266.05820	1.0
267.06650	8.0
268.07245	1.0
283.05930	1.2
284.04129	0.7
293.04742	0.9
311.05655	14.6
312.06204	1.5
313.07254	5.3
357.06012	1.1
359.07767	41.3
360.08081	2.7
491.10181	1.0
521.11066	2.0
671.14221	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	761.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45847	1.0
60.99308	4.6
69.38006	4.9
72.99316	11.8
73.16542	1.0
88.98817	12.6
92.69596	1.2
102.19881	1.0
109.02956	3.5
116.05757	1.0
123.04536	3.2
133.02965	16.6
133.10870	1.3
135.04533	17.0
149.02463	7.6
150.03262	7.9
161.02460	100.0
162.02876	2.2
177.01929	1.4
179.03542	14.3
197.04562	18.1
206.42273	1.0
247.99144	1.1
267.06567	10.9
283.06100	2.1
293.53372	1.1
311.05676	14.8
312.06329	1.9
313.07230	5.3
340.49146	1.1
359.07755	44.9
359.69553	1.3
360.08316	1.5
373.92438	1.2
499.86041	1.0
521.10925	2.9
761.38934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
60.99313	2.8
63.41289	0.9
65.99433	1.1
72.99322	9.6
88.98813	11.6
96.95992	0.9
98.21860	1.8
102.55845	1.0
109.03057	2.2
113.49210	1.0
123.04539	3.9
124.81274	1.1
132.02167	1.3
133.02083	0.8
133.02968	19.3
134.03735	1.4
135.04543	27.2
149.02486	2.0
161.02463	100.0
162.02803	3.2
179.03522	18.9
179.12846	1.1
189.12679	1.1
197.04564	17.3
200.49879	1.2
267.06686	7.3
283.06119	1.7
306.42853	1.0
311.05618	18.9
313.07135	2.3
337.03580	1.6
359.07770	53.4
360.08020	2.4
491.09363	1.9
497.08310	1.0
521.11133	1.3
646.17419	1.0
671.13953	1.3
736.74939	1.3
736.89520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19638	0.9
62.68319	1.1
68.25807	1.0
69.06306	5.2
69.06717	1.7
72.76523	0.9
72.99313	8.7
79.05470	1.0
91.01874	1.1
93.03452	1.7
95.05032	1.4
96.96029	1.3
107.57719	1.1
108.02187	38.7
109.02983	5.6
115.05536	1.9
123.04536	28.7
127.43027	1.0
133.02979	3.2
135.04547	10.6
137.02463	5.8
138.03209	1.8
138.36368	1.1
140.34698	1.3
141.03482	1.2
144.02151	1.2
145.02957	10.7
146.03697	2.1
147.04527	2.9
148.96205	1.1
149.02432	2.7
150.03238	33.5
151.04016	8.9
153.05573	1.0
157.02942	3.3
158.03722	1.8
159.04512	10.0
160.01703	1.7
161.02478	1.8
165.05611	5.7
173.02466	1.9
174.21051	1.0
175.03961	3.6
179.03452	5.1
185.02457	65.1
186.03239	16.4
195.03012	8.3
197.04527	4.1
201.01868	1.2
209.04541	3.7
209.06242	1.3
212.03232	2.1
219.04543	2.3
220.05289	2.8
221.06041	1.9
227.05594	4.7
233.06027	1.3
235.04030	3.3
236.04718	4.8
237.05620	2.3
238.06268	2.0
247.03925	2.5
248.04810	8.5
249.05573	4.2
251.03490	2.5
252.04213	1.4
260.04749	3.9
263.03436	4.2
263.06955	1.4
264.04309	8.8
265.05066	11.7
266.05801	8.4
267.06561	1.7
268.07129	1.1
275.03482	4.3
276.04279	11.2
277.05081	11.7
279.03021	4.8
281.08124	2.4
283.09674	1.8
291.02994	4.8
291.06470	1.7
292.03790	15.4
293.04578	26.6
294.02191	1.7
294.05353	22.1
295.05832	3.8
303.03091	1.7
304.03748	3.6
305.04504	1.1
307.06174	9.0
309.07700	33.9
310.08029	2.8
319.02304	3.1
320.03281	18.7
321.04010	8.8
327.08725	3.7
335.05630	100.0
336.06104	5.8
339.05142	4.4
353.06680	93.9
354.06992	5.9
407.09714	2.3
503.10193	1.2
519.09436	1.3
533.10669	4.9
537.14026	8.3
563.12018	94.8
564.12604	7.3
581.13123	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	761.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
61.98839	1.8
71.74028	0.7
72.99316	12.3
78.34648	0.8
79.00291	0.7
82.07095	0.7
93.03503	0.9
94.98067	0.9
96.96030	6.2
105.03484	1.8
107.05053	0.9
108.01468	1.5
108.02187	25.7
108.02914	1.7
109.02955	2.6
115.05546	1.0
117.71066	0.8
123.04541	22.2
132.02237	1.2
133.02957	8.9
134.03784	5.1
135.04536	62.4
136.04906	2.0
137.02449	4.1
138.03226	0.9
144.02205	1.0
145.02975	7.2
147.04524	2.8
149.02382	1.2
150.03204	3.1
151.03979	3.8
157.02962	2.8
158.03760	1.9
158.13521	0.9
159.04524	7.4
160.01663	3.2
161.02451	10.6
162.02763	1.4
163.04109	1.1
165.05547	1.2
166.02879	1.1
173.02403	1.2
175.04068	4.6
177.02003	4.1
179.03511	14.8
181.05086	1.3
185.02446	47.4
186.03218	11.0
195.02953	1.5
197.04544	10.1
204.05901	0.9
208.05313	1.0
209.06158	1.1
219.04497	2.2
220.05290	2.7
224.04681	1.3
225.11334	0.9
229.01294	1.0
232.05228	1.0
233.06039	1.4
235.04033	2.9
236.04782	4.3
237.05589	3.6
238.06427	1.8
247.04079	3.7
248.04797	9.0
249.05525	3.6
250.02554	1.0
251.03546	1.8
259.04108	1.0
260.04788	2.0
263.03555	2.8
263.07224	0.9
264.04263	8.3
265.04999	7.8
266.05872	6.9
267.06485	1.6
275.03455	4.4
276.04327	11.3
277.05112	8.3
278.05768	1.1
279.02960	3.3
281.08136	2.1
283.09650	1.7
291.03024	4.9
291.06436	1.8
292.03821	14.8
293.01190	1.1
293.04547	20.2
294.05359	18.1
295.05972	2.1
303.02951	2.5
304.03735	4.7
307.06110	9.5
309.07706	26.7
310.08017	2.1
319.02469	3.7
320.03278	21.5
321.03790	1.6
327.08832	2.1
335.05627	100.0
336.06067	6.6
339.05252	1.2
353.06683	63.0
354.06958	3.2
407.09805	1.8
507.12854	4.5
533.10919	70.6
534.11255	6.5
551.11877	4.5
563.12219	3.6
564.12402	1.1
642.96185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.8
59.01372	2.7
62.40444	1.4
63.91747	1.2
71.19688	1.2
72.99310	7.7
75.97554	1.2
77.03946	2.1
82.95429	2.9
89.03971	2.2
93.03465	1.6
95.05042	8.4
98.21834	3.3
99.04521	3.4
101.02444	1.7
105.03481	21.0
109.02971	14.5
112.19915	1.3
121.02991	2.2
122.03756	4.7
123.00888	2.6
123.04521	7.1
132.02231	1.4
133.02977	87.6
134.03336	2.3
135.04532	13.2
136.01675	1.7
137.02463	3.2
138.03239	2.5
139.04056	1.9
139.14833	1.3
145.02963	1.8
149.02522	6.6
150.03250	34.3
151.00359	5.0
151.03990	3.0
153.05579	4.4
161.01089	2.5
161.02466	51.4
162.02888	1.8
163.00407	4.7
164.01151	2.0
164.04776	2.3
165.01906	3.5
165.05589	32.4
166.02715	12.9
166.05850	1.3
177.01945	67.9
178.02635	5.8
179.03561	8.7
180.04301	4.6
181.01460	12.5
181.05078	20.5
183.06757	1.9
191.43526	1.2
193.01434	31.4
193.05084	4.7
194.02153	1.4
195.06651	27.6
196.03818	21.5
197.04524	8.8
207.02972	12.5
208.03783	46.7
209.04393	2.0
211.06137	54.4
222.05244	6.9
223.06140	100.0
224.06467	2.9
239.05530	18.2
241.07127	7.3
250.06252	1.8
267.06683	10.8
304.22305	1.3
359.07712	12.8
360.08047	2.2
373.12851	4.5
377.12488	3.1
403.14182	2.3
407.13641	8.7
419.13730	6.4
437.14572	1.7
581.18793	5.2
598.19080	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	761.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11684	42.7
60.12447	43.0
60.41245	41.3
60.69165	50.8
64.06154	50.9
67.87702	44.0
99.32851	43.9
116.92834	57.0
135.52835	43.8
153.33304	56.3
177.48558	45.8
185.11880	80.1
211.13460	100.0
261.17242	50.0
277.21622	93.5
309.88617	47.7
380.50748	46.2
776.85956	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54583	0.5
61.98836	54.1
72.99339	2.7
96.96024	2.1
108.02183	1.2
109.02966	37.5
110.03278	0.6
113.37193	0.5
115.05540	0.7
121.02966	0.8
123.04544	4.3
133.02966	0.8
134.03679	0.7
135.04546	5.3
136.01672	0.6
137.02437	1.4
145.02934	1.1
147.04553	1.4
149.02449	2.0
151.03996	0.8
157.02963	1.2
159.04536	2.6
161.02548	1.0
161.71660	0.5
164.01146	0.6
172.82710	0.5
173.02432	1.9
174.03181	0.5
179.02010	0.7
179.03500	4.5
185.02460	24.8
186.03206	7.2
193.06570	0.7
193.11075	0.6
197.04498	2.6
201.01962	0.6
209.06119	1.9
211.06154	1.4
213.01930	0.8
220.05251	0.7
221.06110	2.5
224.04829	1.0
225.05586	4.0
227.30104	0.5
229.01521	0.8
236.04588	0.6
237.05589	1.1
239.07179	2.3
247.04036	0.8
248.04736	1.2
249.05554	6.4
250.06218	1.0
251.03601	3.1
251.07118	0.9
252.04376	1.9
253.05168	1.2
253.63687	0.6
265.05103	2.2
266.05823	1.9
267.06659	4.6
269.07944	0.6
276.04218	1.7
277.05066	12.2
278.05685	0.7
279.03024	10.7
279.05963	1.0
280.03799	7.3
292.03848	0.6
293.04562	7.0
294.05106	1.0
295.06161	28.0
296.06445	1.5
303.02963	1.1
321.04065	34.3
322.04593	2.9
339.05121	100.0
340.05435	5.9
359.07596	0.8
371.09152	0.5
371.15643	0.6
501.08362	3.3
502.08826	0.9
519.09381	5.7
520.09589	0.7
699.13416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45262	0.7
61.98840	23.4
72.99324	3.0
76.78848	0.6
96.96020	1.1
98.21854	1.1
104.43720	0.6
108.02190	1.4
109.02969	39.0
110.03352	1.1
117.60422	0.6
121.02974	1.1
123.04567	4.4
135.04555	6.0
137.02510	1.1
138.14333	0.6
145.03017	1.4
147.04530	1.9
149.02464	1.2
151.04019	1.2
157.02951	1.9
159.04491	3.0
161.02487	1.1
165.01941	0.9
173.02510	1.6
174.03174	1.1
179.03528	5.4
185.02457	27.7
186.03217	8.2
197.04590	2.3
209.06148	2.0
211.06149	2.2
220.05338	1.1
221.06148	1.6
224.04756	1.5
225.05659	3.7
233.06256	1.0
237.05469	0.7
238.06279	0.9
239.07137	2.4
247.03972	0.7
248.04842	1.6
249.05583	5.6
250.06360	1.4
251.03542	2.4
252.04324	2.1
253.05000	1.2
263.03448	0.7
265.05072	2.6
266.05872	1.7
267.06693	5.0
269.08176	2.0
276.04297	1.9
277.05106	11.5
278.05386	0.9
279.03055	9.3
280.03696	7.0
293.04559	7.5
294.05307	1.3
295.06134	28.7
296.06693	1.2
303.02829	0.9
313.07272	0.9
321.04074	24.4
322.04556	2.4
339.05121	100.0
340.05524	6.3
379.04813	1.3
475.10233	2.4
501.08307	5.0
503.09970	1.3
519.09399	1.7
699.13629	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	762.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98817	7.5
66.40705	4.5
71.01387	9.5
73.56889	4.5
101.02453	14.1
378.01874	5.1
473.32993	7.4
515.86383	6.0
617.36920	8.4
635.37689	12.7
643.96844	5.9
659.37555	28.7
670.94080	5.3
677.39105	40.4
719.40039	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	763.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
57.03444	1.6
59.01385	73.8
71.01386	51.6
71.41445	1.4
72.99323	2.9
73.02950	9.9
75.00877	1.4
75.05785	1.0
78.95911	68.7
79.95733	1.1
81.03465	1.5
82.00365	1.0
83.01408	2.2
85.02961	13.3
87.00881	14.8
88.53299	1.0
89.02453	59.6
94.92502	2.9
95.01398	3.3
96.92210	4.5
96.96046	18.3
96.96967	90.4
97.02966	2.9
99.00896	1.8
101.02454	46.1
109.02959	1.7
110.21225	1.1
113.02459	21.1
119.03514	10.9
125.02463	7.2
131.03491	1.5
141.01903	1.3
143.03497	11.9
161.04565	9.7
168.99107	2.1
179.05618	28.7
180.99167	1.2
203.05647	4.7
221.06679	16.3
259.02298	3.3
281.08636	1.1
301.02411	1.1
323.09753	1.9
341.10925	20.9
379.06516	1.6
383.12006	53.3
384.12457	1.4
385.03751	1.0
413.12936	1.6
421.07178	7.3
443.14114	13.4
481.01556	1.3
481.08856	2.6
485.15302	11.9
503.16360	5.0
523.11169	1.2
665.21521	100.0
666.21692	4.1
703.17072	12.3
763.18945	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	763.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
59.01385	68.8
69.33260	5.4
71.01389	46.9
72.99290	1.2
73.02950	8.8
78.95914	68.3
83.01414	2.0
85.02954	10.1
86.01434	1.1
87.00877	13.6
89.02452	54.7
94.92528	3.1
95.01402	2.6
96.92230	5.7
96.96046	18.8
96.96970	100.0
97.02959	2.4
98.22710	1.4
99.00870	2.7
101.02455	40.9
101.09481	1.1
113.02464	21.6
119.03500	10.1
125.02443	5.8
129.29132	1.3
131.03526	5.3
143.03520	10.0
149.04622	1.6
155.70908	1.1
161.04515	8.3
168.99069	1.6
179.05629	27.5
180.99176	1.5
199.00398	1.2
203.05669	5.3
211.00125	1.4
221.06721	12.3
259.02246	4.7
281.08804	1.4
319.04361	1.2
323.09860	1.8
341.10876	18.0
379.06989	1.5
383.11993	56.7
384.12393	2.1
405.08929	1.3
421.07416	9.0
432.56146	1.3
443.14072	11.4
447.63672	1.3
481.08859	5.0
485.15314	10.6
503.16360	2.7
513.60406	1.5
523.11188	1.6
665.21533	97.2
666.22015	6.5
703.17548	11.7
763.19336	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	763.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59996	0.3
59.01384	4.8
59.89299	0.3
60.00178	0.3
61.98840	0.4
71.01395	1.2
71.25661	0.4
72.99337	0.4
73.02963	0.7
77.03957	0.3
81.03470	0.3
85.02942	0.6
87.00912	0.3
89.02465	0.6
89.03967	0.3
101.02440	0.6
105.03458	0.9
109.02982	0.7
113.02456	0.8
115.01923	0.7
117.03497	0.8
118.82239	0.3
119.03567	0.5
123.04501	0.5
132.02168	4.0
133.02972	51.2
134.03819	2.1
135.04536	9.3
137.02478	0.6
149.06129	0.4
152.04849	0.3
153.33524	0.3
160.01668	0.4
161.02463	100.0
162.02785	2.8
178.02748	0.3
179.03505	5.2
181.88036	0.3
188.04671	0.3
197.04558	0.4
229.72064	0.3
272.85382	0.3
359.07712	0.4
447.94803	0.3
533.16217	1.6
597.24890	0.3
643.19952	0.6
703.22107	0.4
707.68842	0.3
721.23523	3.3
761.43018	0.3
763.24634	33.9
764.25433	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	763.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03718	4.5
54.57959	4.8
59.01382	18.8
60.99297	6.9
69.30152	25.0
71.01395	4.5
72.99317	14.4
88.98807	28.4
96.96042	8.0
98.21909	9.4
107.03774	5.2
109.02969	4.6
113.02428	6.1
119.05074	7.8
122.06115	33.8
123.04516	7.4
133.02983	13.8
134.06172	9.4
135.04555	26.2
152.07193	44.3
161.02454	43.5
162.02850	16.3
163.04004	7.1
176.15025	4.4
179.03525	13.1
180.60249	4.6
197.04446	8.3
213.10275	11.4
239.12000	7.5
253.10214	4.7
279.07462	4.6
285.12534	26.7
293.09375	14.2
294.09918	6.6
295.11008	8.8
307.10950	7.0
321.04080	12.6
323.10602	5.8
337.08328	10.7
359.07761	6.3
361.07977	6.0
400.16251	9.5
460.18997	10.0
504.17722	11.0
517.20190	5.3
518.19214	13.4
550.21869	26.0
565.24774	34.8
609.23462	24.6
615.65833	5.2
641.26154	100.0
642.26697	15.3
673.29028	68.7
674.28894	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	763.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68325	2.3
54.19978	2.1
59.01388	100.0
61.98818	4.0
71.01390	8.0
78.83677	2.6
81.04960	2.8
85.47099	1.8
98.30302	2.3
133.02928	2.4
135.04501	2.3
138.00668	2.1
153.01602	2.5
190.50726	2.3
194.55191	2.2
196.04364	2.3
200.37462	2.1
203.05638	2.8
278.75580	2.6
325.33447	2.5
473.32907	2.8
515.33813	31.5
535.74579	2.3
578.29089	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	763.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	4.7
64.41117	3.0
68.85812	2.3
69.17063	10.0
69.17467	5.6
69.80892	2.5
70.61803	2.4
71.88422	3.4
91.66075	2.8
121.10242	6.2
125.09695	3.2
138.40974	2.8
167.87727	2.5
185.11859	6.8
195.45625	2.8
291.19690	82.8
292.19937	4.0
307.28848	3.2
311.19113	2.7
401.90256	2.7
471.34796	100.0
472.35089	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	764.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73550	2.0
59.01364	6.4
61.86943	2.5
61.98836	3.2
71.01392	6.1
89.02477	2.3
96.95997	10.8
97.02986	4.5
97.60638	2.1
101.02423	4.4
109.06614	10.5
163.11322	8.6
189.09424	2.8
207.10286	43.4
225.11339	12.7
235.08257	5.2
253.09285	9.7
277.21747	100.0
278.22055	6.5
284.17651	2.6
356.09500	2.5
461.20435	3.9
494.49112	2.4
703.18634	2.6
721.41492	19.1
722.41980	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	764.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	10.8
69.32748	3.8
69.33155	7.3
71.01377	3.9
81.03438	2.6
97.02968	2.3
98.22630	4.0
101.02469	5.9
109.06618	20.7
113.02441	3.2
133.02960	5.1
134.33470	2.3
135.08157	2.5
146.25026	2.1
161.02458	11.5
163.11357	12.8
188.14479	2.4
189.09282	3.5
207.10281	100.0
208.10587	2.5
225.11365	30.0
235.08179	4.0
253.09309	14.6
277.18729	4.5
277.21738	66.8
278.22119	3.5
443.19421	4.5
461.20078	11.2
721.41785	30.7
722.42590	3.5
787.41949	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	765.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73402	1.3
62.01697	1.4
62.07486	1.3
71.40714	1.6
72.99320	12.9
96.96030	2.6
109.02956	9.4
121.02961	2.6
123.00696	1.5
123.04526	6.1
124.42197	1.2
126.51550	1.2
133.02975	27.0
134.03743	1.4
135.04539	25.8
137.02444	4.2
148.01718	1.5
149.02509	1.6
150.03210	3.8
151.04053	7.9
159.04518	2.1
161.02457	100.0
162.02818	2.9
173.02461	1.7
178.13673	1.5
179.03490	19.2
185.02475	3.4
191.03535	1.8
195.02937	7.9
197.04561	13.3
212.03250	2.0
221.06276	1.6
223.07663	1.8
227.05640	1.6
239.07158	2.1
240.04384	1.5
249.05574	2.3
251.07242	3.5
253.05026	2.1
266.05719	1.9
267.06534	5.1
277.04980	1.8
293.04489	3.6
295.06134	17.8
297.04156	3.7
311.05563	2.8
321.04266	7.5
322.04617	1.8
339.05106	48.3
340.05432	4.1
343.08237	1.8
357.05838	1.5
359.07751	24.8
360.07840	1.6
369.06079	3.1
389.03979	2.3
389.08798	30.7
519.09393	23.1
519.58734	1.4
521.08942	1.8
549.10443	19.7
550.10699	2.2
567.11572	3.4
568.38995	1.5
568.49097	1.6
747.14716	1.7
794.97253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29909	4.0
59.01383	14.3
61.98833	15.8
67.30765	4.5
70.64394	4.9
72.99307	8.0
78.91923	4.4
80.05077	4.4
96.95990	4.2
101.02496	4.7
104.05083	5.6
106.06647	7.2
108.92709	4.8
119.05035	8.6
119.08894	4.1
122.06135	5.7
132.04553	6.2
133.02977	6.6
134.06142	25.4
135.04575	8.6
152.07135	8.8
161.02469	22.6
163.04066	6.9
179.03513	9.1
190.05132	20.4
195.59866	3.9
197.04565	9.5
224.22586	3.6
239.11884	10.4
249.10370	6.3
277.09784	5.3
295.97461	4.5
298.82141	4.3
305.09299	11.4
323.07761	12.7
325.12360	4.2
337.12051	8.0
355.12924	9.9
398.15070	5.8
493.19431	4.9
585.18732	6.8
629.17804	14.9
645.20929	9.2
647.18219	9.8
661.20258	7.5
679.20874	85.5
680.20972	6.9
689.20093	100.0
690.20319	7.6
721.22107	77.1
721.41321	7.1
722.22437	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	765.356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84007	0.3
60.99315	17.2
61.98830	0.7
68.70816	0.3
71.01398	0.4
78.13617	0.3
80.53426	0.3
87.00896	1.1
88.00423	0.8
88.98819	100.0
89.02454	12.1
98.22793	0.5
114.82964	0.3
118.01694	0.3
128.47488	0.4
135.04440	0.4
139.55524	0.3
143.81151	0.3
277.21768	0.5
397.13409	0.9
481.43155	0.4
730.60608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74431	0.6
60.99313	18.1
61.98844	0.6
66.02532	0.4
76.03531	0.5
88.00441	1.0
88.98816	100.0
89.02450	9.4
98.22684	1.4
135.04549	0.6
170.59120	0.5
181.92441	0.6
216.59302	0.5
253.74081	0.6
397.13675	0.8
440.01862	0.6
504.92062	0.6
543.86737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.8
69.22303	8.2
71.01408	1.7
75.08920	1.4
83.05023	5.3
98.22602	3.6
101.02469	2.0
161.02440	1.6
163.11293	4.1
165.12849	2.6
174.76360	1.7
185.11763	1.6
209.11842	100.0
210.12173	3.1
227.12915	18.1
235.08160	2.1
253.09291	9.6
277.21741	54.9
278.22238	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	766.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39504	2.4
59.01380	3.6
69.52443	10.2
80.69279	1.8
83.05023	3.1
85.03036	1.9
98.22612	4.4
136.79984	2.0
149.38875	1.9
150.03223	2.8
154.43082	2.2
156.02756	2.1
161.04568	2.9
163.11391	3.1
209.11855	71.3
214.81017	2.6
223.01735	2.3
227.12903	14.2
235.08229	4.4
253.09348	8.0
275.62170	2.0
277.21768	100.0
278.22076	3.2
353.43781	2.1
493.10284	2.7
790.46216	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	767.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85994	0.2
67.81413	0.2
70.02753	0.2
72.99318	0.4
79.95748	4.1
81.13341	0.2
87.45912	0.2
96.96023	100.0
99.41006	0.2
109.02950	2.0
123.04576	0.4
123.78065	0.2
135.04556	0.8
140.14728	0.2
147.04549	0.2
149.02449	0.4
151.04062	0.3
159.04512	0.4
179.03506	0.4
180.03723	0.2
185.02478	1.1
186.03175	0.3
197.04620	0.5
219.02757	0.5
249.05574	0.3
251.03592	0.4
265.05206	0.2
267.06720	0.3
277.05127	0.4
279.03067	0.6
291.06363	0.8
293.04654	0.4
295.06046	1.0
313.07346	0.2
321.04001	2.3
322.04697	0.4
335.05350	0.2
339.05133	1.5
427.06702	0.4
445.07996	0.4
519.09406	0.4
543.08984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65926	0.1
72.99307	0.2
74.35039	0.1
74.77979	0.1
78.95909	0.1
79.95745	3.7
79.96217	0.2
94.98106	0.1
96.96021	100.0
97.95981	0.1
98.95573	0.1
101.57356	0.1
109.02946	0.8
121.02991	0.1
132.54997	0.1
133.02905	0.1
135.04527	0.3
149.02437	0.2
150.03253	0.2
154.18515	0.1
159.95303	0.1
161.02458	0.3
179.03519	0.3
185.02499	0.7
186.03235	0.2
225.05527	0.1
248.04945	0.2
250.02577	0.1
262.32443	0.1
265.05008	0.2
267.06628	0.2
277.05121	0.3
279.03055	0.5
280.03677	0.2
293.04529	0.3
295.06100	0.6
319.46774	0.1
321.04010	0.8
339.01318	0.2
339.05103	2.1
381.77875	0.1
385.02521	0.3
509.10910	0.1
515.03076	0.4
523.16315	0.1
557.04156	0.1
669.12701	0.2
767.09216	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	767.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07764	0.1
59.01355	0.1
59.75790	0.1
60.23840	0.1
60.43304	0.1
64.69255	0.1
79.95745	3.8
96.96020	100.0
97.95963	0.2
98.22675	0.3
104.23235	0.1
105.03535	0.1
109.02972	0.5
135.04556	0.2
149.02478	0.1
185.02409	0.4
210.14499	0.1
249.87941	0.1
277.05048	0.2
279.03052	0.3
293.04651	0.2
295.06146	0.4
321.04041	0.7
328.77402	0.1
339.05054	1.3
383.59250	0.2
473.09161	0.1
515.02911	0.2
537.81201	0.1
577.32135	0.1
669.12909	0.2
707.06824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.0
61.98836	59.5
63.15171	0.9
71.40932	0.9
72.99315	53.5
96.95998	2.4
97.06613	4.0
109.02962	3.9
114.51307	1.2
121.02974	6.3
122.03829	1.1
123.04527	2.8
127.42455	0.9
132.02240	1.7
133.02982	30.2
134.03699	4.3
135.04547	18.7
137.02486	2.4
146.03743	2.1
149.02460	11.4
150.03242	8.3
151.04034	2.4
158.03705	1.1
159.04524	1.3
159.08098	1.2
161.02464	100.0
162.02782	2.9
172.05342	3.6
173.06102	5.0
174.03307	1.3
174.06929	1.3
175.04037	2.6
175.07660	3.3
178.02777	5.1
179.03508	16.1
185.02448	1.0
187.04059	1.8
187.07661	24.2
188.08000	1.6
190.06363	3.7
197.04568	5.4
201.05563	2.7
201.09238	2.8
202.06432	5.0
203.07167	1.4
203.10764	1.4
205.08611	1.9
213.09232	4.7
215.07150	1.9
219.10303	13.0
220.10580	1.3
229.08740	4.1
231.10278	15.0
245.08109	1.3
249.05762	1.1
254.05569	1.0
267.06631	7.3
268.07635	1.6
275.09323	9.4
277.05090	1.2
283.06229	1.8
291.08755	2.7
293.10352	49.0
294.10614	2.0
311.05682	14.4
312.06277	1.2
313.07239	3.6
321.04071	2.4
339.05072	1.2
359.07755	6.4
407.11566	1.2
425.12347	2.3
443.13458	1.4
453.11743	2.3
455.13535	61.6
456.13925	6.2
569.14496	1.2
587.15472	1.4
605.16339	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.4
59.01385	77.5
69.03458	1.9
71.01392	50.6
71.41216	2.1
71.68625	1.2
72.99297	2.6
73.02953	11.3
73.23650	1.4
81.03475	1.8
83.01381	1.6
85.02955	10.0
87.00879	16.7
87.89489	1.4
89.02457	58.3
93.34175	1.2
95.01395	4.3
96.45055	1.4
97.02965	2.4
99.00870	2.0
99.04594	1.6
100.02364	1.5
101.02453	55.2
102.02745	1.8
106.13263	1.4
113.02470	22.9
117.01030	1.6
119.03511	10.9
125.02456	7.8
131.03513	3.9
143.03519	10.2
146.69643	1.6
149.04567	3.3
161.04584	9.9
179.05632	34.3
203.05644	5.7
221.06714	12.5
272.95395	1.6
281.08652	1.5
323.09851	3.7
341.10858	25.7
342.11111	1.4
347.20651	1.5
369.67807	1.5
380.15683	2.0
383.11996	60.4
384.12274	5.3
413.12897	1.7
425.12717	1.8
443.14139	12.5
458.29593	1.4
485.15240	14.5
503.16043	5.0
665.21558	100.0
666.21918	9.6
666.44421	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54250	1.5
56.03012	1.6
59.01384	95.4
63.54132	1.6
69.25650	3.3
69.26057	8.2
71.01386	50.6
71.10447	2.0
72.99316	2.7
73.02952	10.2
75.00846	2.0
83.01425	2.8
85.02954	12.9
87.00893	18.6
89.02451	67.9
95.01411	5.3
96.96028	2.8
97.02966	4.1
101.02452	62.3
113.02461	28.7
119.03489	13.8
125.02451	7.1
131.03491	4.2
143.03546	12.5
159.01555	2.8
161.04544	8.4
179.05646	35.1
201.02596	5.1
203.05652	5.4
214.00175	1.7
221.06650	14.4
301.02573	3.9
323.09872	3.0
341.10855	31.9
383.06998	4.1
383.11948	71.5
384.12469	2.6
425.13379	2.5
443.14099	15.4
444.14661	2.1
485.15063	14.3
503.16159	2.9
507.05841	1.9
514.78247	2.1
665.21552	100.0
666.21844	8.3
669.22394	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	767.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
59.01386	24.1
71.01384	9.5
72.99319	1.1
73.02921	0.9
83.01395	1.5
85.02955	2.8
89.02460	6.6
95.01390	0.9
96.96017	18.5
98.22662	1.9
98.95609	7.4
98.96435	1.2
99.92601	0.8
100.95318	0.6
101.02454	5.9
108.67979	0.6
109.03001	0.8
112.74724	0.7
113.02454	2.9
118.16702	0.7
119.03541	3.1
119.05027	0.9
121.02948	0.9
121.12234	0.6
123.04540	0.9
133.02980	3.6
134.03758	54.0
135.04477	2.8
137.02464	3.1
138.53387	0.6
139.03955	0.8
143.03526	0.6
149.06104	15.3
160.01654	1.6
161.02441	2.2
161.13383	3.3
163.04259	0.6
175.03999	2.1
175.68100	0.6
176.04819	2.5
178.02740	30.5
179.03374	2.0
179.05505	1.0
187.11339	5.2
191.07115	2.2
193.05084	100.0
194.05443	2.3
205.12411	3.4
207.06648	1.1
229.12379	1.5
235.06108	5.8
249.11353	2.4
265.07199	2.2
295.08337	3.1
315.12463	1.0
321.03983	1.3
339.05380	0.7
355.10431	9.3
393.15555	2.5
411.16495	0.9
543.22412	10.3
545.34857	5.5
561.23828	1.4
563.96716	0.7
573.22009	1.8
587.21313	11.2
587.29865	1.1
605.23016	1.6
663.35712	4.0
674.16547	0.7
681.36426	3.2
723.38104	1.3
731.07361	1.3
767.27747	19.1
768.28711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
59.01386	24.1
71.01384	9.5
72.99319	1.1
73.02921	0.9
83.01395	1.5
85.02955	2.8
89.02460	6.6
95.01390	0.9
96.96017	18.5
98.22662	1.9
98.95609	7.4
98.96435	1.2
99.92601	0.8
100.95318	0.6
101.02454	5.9
108.67979	0.6
109.03001	0.8
112.74724	0.7
113.02454	2.9
118.16702	0.7
119.03541	3.1
119.05027	0.9
121.02948	0.9
121.12234	0.6
123.04540	0.9
133.02980	3.6
134.03758	54.0
135.04477	2.8
137.02464	3.1
138.53387	0.6
139.03955	0.8
143.03526	0.6
149.06104	15.3
160.01654	1.6
161.02441	2.2
161.13383	3.3
163.04259	0.6
175.03999	2.1
175.68100	0.6
176.04819	2.5
178.02740	30.5
179.03374	2.0
179.05505	1.0
187.11339	5.2
191.07115	2.2
193.05084	100.0
194.05443	2.3
205.12411	3.4
207.06648	1.1
229.12379	1.5
235.06108	5.8
249.11353	2.4
265.07199	2.2
295.08337	3.1
315.12463	1.0
321.03983	1.3
339.05380	0.7
355.10431	9.3
393.15555	2.5
411.16495	0.9
543.22412	10.3
545.34857	5.5
561.23828	1.4
563.96716	0.7
573.22009	1.8
587.21313	11.2
587.29865	1.1
605.23016	1.6
663.35712	4.0
674.16547	0.7
681.36426	3.2
723.38104	1.3
731.07361	1.3
767.27747	19.1
768.28711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80726	0.6
55.96882	0.6
59.98242	0.6
61.98822	0.7
66.58090	0.6
69.00024	0.6
78.48398	0.6
110.18900	0.7
128.27847	0.7
135.04517	1.2
171.10286	7.4
204.67030	0.6
205.19536	0.7
216.49393	0.7
246.63490	0.7
277.21753	8.7
278.22052	0.8
295.22806	45.0
296.23154	2.6
471.34830	100.0
472.35181	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	769.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43750	0.2
55.99636	0.2
59.01380	0.9
62.78308	0.2
71.01395	0.4
72.99319	0.6
73.02930	0.3
79.95755	3.6
81.95324	1.0
85.02965	0.3
93.96711	0.2
94.14450	0.2
96.49757	0.3
96.96024	100.0
97.95955	1.6
98.21883	0.6
98.95609	24.4
98.96434	3.7
99.92608	0.6
103.93515	0.2
109.02969	1.2
113.02482	0.3
121.03036	0.4
123.04577	0.5
135.04543	0.7
149.02480	0.4
151.03978	0.5
159.44304	0.3
173.02393	0.3
179.03561	0.6
185.02478	0.8
186.03108	0.3
197.04596	0.5
219.04538	0.5
226.81337	0.2
233.96342	0.3
247.04147	0.4
249.05412	0.4
262.67618	0.2
265.05017	0.4
275.04135	0.3
277.05173	0.3
293.04633	0.6
295.06158	0.7
321.04007	2.0
339.05112	1.3
340.05295	0.7
350.99762	0.5
389.24173	0.3
405.54074	0.2
434.28412	0.4
470.00107	0.3
473.08728	2.2
519.08997	0.3
577.32422	0.3
578.32684	0.7
659.03046	0.6
661.04791	1.8
662.05096	0.3
689.04077	0.8
703.02600	0.4
705.03491	0.3
733.03333	2.4
734.02808	0.6
751.04382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95916	0.1
61.66169	0.1
61.85233	0.1
63.15134	0.1
71.91933	0.1
72.01289	0.1
72.99324	0.1
73.28540	0.1
74.01359	0.1
79.95744	3.6
79.96214	0.2
96.96022	100.0
97.95956	0.2
98.95605	0.5
98.96500	0.1
109.02966	0.8
110.03228	0.1
123.04518	0.1
132.58324	0.1
135.04544	0.4
159.04517	0.2
161.02440	0.1
164.83455	0.1
179.03545	0.2
185.02493	0.4
186.03180	0.1
197.04608	0.3
249.05618	0.2
265.05090	0.2
277.05096	0.4
279.03058	0.3
280.03632	0.1
292.06949	0.1
293.04514	0.3
295.06177	0.6
312.72705	0.1
321.04059	2.7
322.04462	0.3
335.33813	0.1
339.05026	0.9
340.05347	0.1
519.09418	3.1
520.10059	0.4
639.38794	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	769.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
60.04825	0.1
61.98835	1.5
65.51896	0.1
69.37194	0.6
72.99319	0.3
79.95750	3.5
85.67360	0.1
96.96024	100.0
97.95986	0.2
101.02477	0.2
101.64664	0.1
133.02983	0.7
135.04530	1.0
149.02611	0.2
161.02457	2.6
179.03479	0.6
197.04561	0.5
311.05594	0.4
321.04117	0.2
358.98608	0.2
359.07788	0.9
367.01572	0.3
379.01440	0.2
509.10956	0.3
529.04376	0.3
558.39063	0.2
709.08948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18263	0.1
58.37370	0.1
58.84292	0.1
71.24200	0.1
72.99313	0.2
77.05096	0.1
79.95744	3.5
96.96022	100.0
97.95953	0.2
98.95621	0.1
109.02975	0.2
132.94273	0.1
133.02913	0.2
135.04567	0.3
161.02464	1.4
179.03560	0.2
185.02455	0.2
197.04604	0.4
229.32317	0.1
264.49731	0.1
267.06683	0.2
311.05487	0.2
313.07065	0.1
321.04135	0.4
359.07687	0.6
360.08316	0.1
558.05243	0.1
742.45013	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	769.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41872	0.3
59.01368	0.3
59.11876	0.3
72.99313	2.2
77.90685	0.3
79.95744	2.9
96.96022	100.0
109.02972	1.2
115.66068	0.4
123.04550	0.4
133.02989	0.5
135.04546	2.0
143.36627	0.3
161.02458	2.5
179.03525	1.3
185.02451	0.7
186.03084	0.4
197.04584	2.3
257.86652	0.3
267.06555	0.6
272.20071	0.4
277.05194	0.5
279.02930	0.4
293.04550	0.5
295.06210	0.7
311.05933	0.4
321.04089	3.1
322.04269	0.7
339.05115	1.5
359.07849	1.2
519.09094	0.9
667.69287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43078	0.1
57.44231	0.1
59.63821	0.1
62.79242	0.1
63.08526	0.1
64.19820	0.1
69.08853	1.0
72.99315	0.8
79.95743	3.9
85.93726	0.1
96.96020	100.0
97.95979	0.2
98.22607	0.4
98.95605	0.6
109.02933	0.4
123.04523	0.2
124.59856	0.1
133.02951	0.4
135.04521	0.6
149.02486	0.2
155.73975	0.1
161.02454	2.0
179.03548	0.5
185.02463	0.4
197.04645	1.0
218.51286	0.1
223.41211	0.1
240.95123	0.1
249.05565	0.1
253.59113	0.2
267.06683	0.2
293.04620	0.2
295.06107	0.1
311.05627	0.5
321.04105	0.8
322.04593	0.2
329.06812	0.2
339.05145	0.3
359.07858	1.2
359.63065	0.2
509.11057	1.6
512.29724	0.1
521.10956	0.3
671.13855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98841	0.2
69.31824	0.3
69.32231	0.5
71.01375	0.2
73.02943	0.7
78.76024	0.1
79.95744	4.0
85.82866	0.1
96.96021	100.0
101.02474	0.4
109.02975	0.8
109.03622	0.2
117.73093	0.2
119.31652	0.2
128.42636	0.1
135.04549	0.4
143.10802	1.1
144.11122	0.3
151.04004	0.2
161.02443	0.7
179.03549	0.3
185.02400	0.8
249.05598	0.2
277.05014	0.5
279.03195	0.3
293.04654	0.7
295.06226	0.4
313.13947	0.2
321.04044	1.8
333.00735	0.4
339.05164	1.1
473.08817	6.2
474.09171	0.6
529.04761	0.3
542.88165	0.2
665.09875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40267	1.5
72.99330	1.8
76.07367	1.6
79.17943	1.6
82.68999	1.6
96.96017	49.2
108.02159	2.5
109.02959	59.9
121.02943	2.6
123.04539	2.3
129.03508	2.3
134.24512	1.9
135.04538	5.6
137.02383	2.7
145.02954	6.9
146.03766	5.4
147.04535	20.2
148.73355	1.7
151.04083	1.6
158.03650	2.1
159.04529	37.4
161.02391	1.7
163.00139	1.7
173.02486	4.7
185.02463	14.9
186.03168	3.1
197.04567	2.2
203.03551	3.1
249.05615	2.9
250.06262	1.9
251.07138	1.7
253.05122	2.4
265.05109	2.3
267.06540	4.7
268.07391	3.1
269.08206	4.5
276.04297	3.7
277.04987	3.2
278.02347	2.2
278.05649	1.9
279.02917	2.5
291.06400	100.0
292.06784	5.1
293.04575	3.0
294.05035	1.6
295.06174	13.0
296.06424	2.2
301.01157	6.9
317.04425	9.9
321.03995	9.6
335.05374	34.1
336.05478	2.8
339.05142	5.5
361.03366	9.9
379.04373	13.9
545.10651	49.9
546.10626	2.6
559.08112	2.9
571.08514	3.1
589.09576	35.2
590.09845	2.2
677.03119	2.1
755.81989	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	769.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20298	0.4
68.12272	0.4
68.89075	0.5
69.64075	1.3
72.99317	8.1
79.95771	0.7
90.04008	0.4
91.87034	0.4
92.17149	0.4
96.96021	19.4
105.03465	0.6
109.02991	0.7
121.02959	0.8
122.03725	0.6
123.04562	2.7
132.02193	1.1
133.02975	24.8
134.03743	3.1
135.04536	4.3
137.02446	0.6
139.04010	0.5
149.02446	0.8
150.03308	0.7
150.46507	0.4
151.02849	0.9
151.04019	11.9
152.04398	0.5
159.04536	0.6
161.02463	100.0
162.02811	2.6
177.01923	0.4
178.02739	5.6
179.03499	3.3
195.02974	0.6
213.67859	0.4
231.10193	0.5
232.31557	0.4
275.09277	1.1
293.10352	15.0
313.07251	6.6
335.83716	0.4
455.13510	18.2
456.13791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	66.6
71.01385	9.2
71.50970	0.7
72.99294	1.9
73.02946	1.3
75.00883	2.0
83.01351	0.7
85.02969	1.7
88.98817	0.8
89.02463	4.4
95.01406	0.8
96.96015	2.3
101.02453	4.4
103.00464	3.8
103.01504	23.1
108.02189	2.4
113.02460	2.7
119.03504	1.7
119.05029	2.2
121.02943	0.9
123.04547	4.1
126.65695	0.8
130.53023	0.8
133.02940	2.4
134.03778	1.3
135.04538	12.8
136.05327	10.2
150.03203	0.8
151.04010	1.9
151.07680	4.3
161.02463	8.6
161.13344	2.8
175.03954	0.8
177.01897	0.9
179.03511	1.8
187.11302	5.1
195.06645	100.0
196.06955	2.8
196.08662	0.8
197.04521	1.4
205.12299	1.3
229.12344	1.1
339.11084	0.9
349.16556	3.3
357.11911	12.7
359.07742	1.8
545.24005	8.9
589.22974	10.0
659.56952	0.9
665.37579	1.2
769.29309	11.8
770.29889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09622	0.3
55.44680	0.2
56.65895	0.3
57.03455	0.3
59.01387	3.9
61.98833	0.6
62.82310	0.2
67.05109	0.2
69.50918	0.7
69.51329	0.8
71.01398	0.7
72.99315	1.2
73.02945	1.0
79.95753	3.6
83.01389	1.0
87.00892	0.8
96.96021	100.0
97.06564	0.5
97.95966	0.5
101.02458	0.8
102.96023	0.2
103.90105	0.2
107.05037	1.3
109.02979	1.0
112.98806	0.5
113.02521	0.3
119.05087	0.4
120.05840	0.8
121.02973	0.5
122.03761	0.4
123.04571	0.6
125.00286	0.3
133.02982	2.0
133.06509	0.3
134.03806	0.3
135.04523	3.8
136.01674	11.1
136.92451	0.3
137.02432	0.5
141.05623	0.4
145.02980	0.3
147.04449	0.3
149.02441	0.6
150.03166	0.3
151.04028	11.1
151.99551	0.3
152.04358	0.3
159.04575	0.3
161.02464	7.1
161.04506	0.3
161.09773	2.7
161.11015	0.4
161.13412	1.6
162.02794	0.6
163.04120	0.3
163.66800	0.3
166.61842	0.3
179.03555	2.2
187.09702	0.5
187.11263	3.3
189.09265	1.8
197.04649	1.3
198.04990	0.4
201.52202	0.3
205.12318	2.0
207.10330	0.5
219.02829	0.3
223.13411	0.6
230.35779	0.3
231.10382	0.3
249.11342	2.0
267.06601	1.0
267.12360	0.7
291.12424	0.4
297.11496	0.4
311.05615	1.2
312.10074	0.5
321.03784	0.3
327.12482	1.5
333.13397	0.3
339.05029	0.4
341.06653	0.4
342.11267	0.5
343.11859	0.8
351.14435	0.3
357.13455	6.5
358.13779	0.6
359.07809	2.0
360.08124	0.3
411.16794	1.4
505.34479	0.3
509.11078	1.7
629.86475	0.3
671.14246	1.0
672.15240	0.3
753.83112	0.3
769.30853	7.2
770.32098	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.9
66.23221	0.7
69.43119	1.9
69.43510	1.0
72.99321	20.9
82.14792	0.7
89.51498	0.7
91.50796	0.7
96.96024	15.1
98.22661	1.3
119.83814	0.8
132.02184	2.6
133.02974	36.3
134.03435	0.9
135.04556	15.2
157.05922	0.7
161.02469	100.0
162.02785	2.5
173.16257	0.7
179.03511	12.5
220.65230	0.7
250.19554	0.7
252.06720	2.7
254.08308	0.8
264.06702	2.7
266.08167	1.1
268.06314	0.9
270.07867	1.6
279.05478	1.0
280.06165	2.5
282.07632	1.1
296.05698	1.8
298.07190	3.3
300.08801	1.0
307.04898	2.0
308.05743	3.8
310.07379	0.7
311.07883	0.7
314.06827	2.8
314.10529	0.8
316.08347	2.0
324.05234	1.0
325.05878	2.9
326.06696	2.5
328.08243	1.2
329.09091	1.2
342.06265	3.5
342.09930	0.9
344.07730	1.0
354.09882	1.5
360.08179	0.8
370.05743	8.0
372.10962	2.9
382.09338	2.8
385.08118	3.4
388.06796	24.4
389.07062	1.9
400.10483	9.0
403.09137	7.1
418.11499	30.0
419.11874	1.8
428.09854	1.2
442.19958	0.7
446.10968	28.2
447.11423	1.4
512.04797	0.7
580.14209	2.1
592.41956	0.8
608.14178	93.0
609.14636	9.1
643.01746	0.9
761.47119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91657	0.6
61.98839	100.0
76.45073	0.7
93.75923	0.6
109.60509	0.6
203.28149	0.7
203.64352	0.6
258.01129	0.7
545.59174	0.7
771.38214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
61.98840	1.7
69.17776	3.3
72.99324	2.0
78.36625	0.6
79.95758	2.9
81.95322	1.2
95.05972	0.7
96.96025	100.0
97.95942	2.8
98.95605	30.1
98.96436	5.6
99.92604	7.4
100.93391	1.3
101.02512	0.9
105.03429	0.7
109.02975	1.0
113.02470	0.6
115.92136	1.4
121.02972	1.3
132.02148	3.7
133.02998	4.1
134.03777	4.0
135.04527	4.8
145.02965	1.2
147.00888	0.7
149.02443	4.9
150.03209	1.0
151.04068	1.0
157.85455	0.6
160.00435	1.0
160.01688	12.3
161.02451	6.2
162.02805	1.0
167.07175	0.7
175.04024	10.9
176.07159	0.6
179.03485	2.4
193.05074	3.9
197.04578	1.0
204.96021	1.0
205.96686	1.5
207.17874	0.6
215.95203	10.0
216.95990	2.3
217.96788	4.2
219.94664	1.2
219.98294	1.0
228.96062	1.1
231.94740	1.4
232.95464	1.7
233.96254	2.2
234.96884	1.0
243.94730	8.8
244.95306	1.3
245.96265	5.2
260.95001	1.2
261.95905	0.9
280.98965	0.6
291.98386	1.9
303.98297	0.7
304.99139	3.6
305.99991	1.5
307.00772	0.9
315.98245	1.1
317.99915	2.2
319.97879	2.6
323.00195	0.9
331.97775	2.4
332.13791	0.6
332.98578	3.5
333.99454	6.3
335.00070	1.3
336.97903	1.0
337.98956	1.1
343.97910	1.7
345.99371	2.3
349.99152	1.3
350.99619	6.8
352.00079	1.0
359.07779	1.2
359.97308	2.4
360.98148	16.3
361.98901	26.3
362.99155	1.8
364.97583	2.3
371.97278	1.0
377.98325	1.3
378.99261	4.2
380.00006	2.6
382.98959	1.4
389.98425	3.5
392.97217	3.0
393.97574	0.7
394.98895	1.1
405.97897	1.0
410.98184	0.9
424.99881	1.3
467.02075	1.3
479.02286	1.1
485.03439	1.0
487.34232	2.8
497.03217	1.0
499.01126	0.8
505.17273	2.1
512.01917	1.5
523.01660	1.5
529.02509	4.0
530.03369	0.8
541.02484	1.7
555.00549	2.2
557.01764	1.7
573.01373	5.6
610.71588	0.6
629.05402	2.1
645.05060	0.9
647.06110	1.1
673.03918	0.8
691.05554	7.3
692.04712	0.6
693.24042	0.8
734.92554	0.4
735.04840	12.5
735.24896	7.7
736.04791	1.2
750.23401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.5
63.78416	1.1
67.75114	1.1
70.45241	2.3
71.01398	2.6
72.99317	4.5
73.02950	2.0
79.95744	5.7
89.02446	1.5
93.03481	1.3
96.18416	1.1
96.96023	100.0
97.95948	2.9
98.94953	1.8
98.95606	32.9
98.96442	5.7
99.92603	13.5
100.93378	2.1
109.02958	2.3
110.37330	1.3
115.92090	1.8
121.02988	2.4
123.04501	3.2
133.02953	2.7
135.04567	6.4
145.02982	3.7
149.02454	6.5
161.02473	6.2
173.02455	10.0
174.03134	1.9
179.03539	4.9
185.02425	3.4
191.95192	1.4
197.04570	2.5
204.96033	10.0
208.86804	1.2
217.96750	4.7
219.04507	2.2
219.98286	2.0
221.06073	2.1
231.94713	6.5
232.95488	23.8
233.96201	4.7
234.96913	1.4
237.05554	2.4
247.03979	3.7
249.05547	2.2
259.04031	1.5
261.95743	1.7
265.05045	1.7
276.04352	1.3
277.04996	3.2
279.03088	1.4
280.99017	3.7
293.04526	3.4
293.99921	6.1
307.00729	4.6
307.97842	2.1
308.98572	4.5
309.99484	2.9
321.04236	2.9
321.99374	3.0
323.00372	2.9
333.99338	3.1
335.00208	11.5
337.99054	1.8
338.99457	2.4
344.98703	1.6
348.98044	2.8
349.98932	2.4
350.99686	26.1
352.00229	2.2
354.99039	2.8
359.00430	1.4
359.97305	1.4
361.98846	2.3
366.99182	1.8
376.97659	14.1
377.98318	2.9
378.99033	9.8
382.98624	4.5
394.02917	2.0
396.00659	1.4
410.02271	2.9
410.98270	3.0
425.00793	1.5
426.02295	1.7
438.01730	2.7
439.02554	1.5
450.01968	4.8
451.02847	3.5
452.03998	1.6
466.01608	4.1
467.02179	4.9
468.03195	2.2
473.08841	3.0
474.08914	3.7
475.09308	2.2
478.01752	9.1
479.02411	15.4
480.03610	2.8
493.00217	7.4
494.01199	10.0
495.01791	21.6
496.02374	3.9
496.98972	1.3
499.01700	2.3
508.99652	1.6
511.01205	3.5
522.00446	2.3
523.01318	12.0
524.02325	2.2
524.99487	4.5
527.00848	7.0
528.01654	6.6
539.00446	2.6
547.29138	1.9
555.00238	2.4
609.22168	2.6
629.05682	8.7
645.05328	3.3
647.05951	6.6
673.04523	26.1
674.04462	2.3
717.03046	2.9
735.04535	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	771.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92215	1.0
59.01388	11.3
69.30077	2.6
69.30484	3.3
71.01397	1.9
71.05024	3.3
72.99330	1.2
77.03961	1.7
89.02438	1.4
95.05049	2.9
97.02969	9.8
101.17702	1.2
109.02972	11.9
121.02973	6.1
123.04568	1.4
133.02995	1.6
133.15828	1.0
135.04538	3.5
137.02463	21.9
139.04028	62.9
140.04346	1.6
149.02380	1.3
151.00328	1.1
153.01950	25.7
153.05638	2.4
161.02480	4.8
163.00409	2.9
163.04030	5.6
164.01216	2.7
165.01952	100.0
166.02264	2.6
179.03543	2.3
181.05058	1.9
189.01964	2.3
191.03569	1.5
193.04980	1.4
195.03021	2.2
204.47058	1.1
205.05142	1.8
207.03000	2.4
215.03421	1.3
271.02393	1.8
300.02649	1.6
301.03455	1.8
307.04330	1.8
315.07272	1.2
325.09467	1.3
349.96347	1.3
351.07162	2.6
387.09369	2.3
411.09503	6.0
429.10419	86.4
430.10840	4.6
540.60260	1.1
547.11060	2.4
560.62122	1.3
565.12524	2.6
757.60022	1.2
771.20013	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	771.1997
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.87318	0.4
63.02415	0.6
65.00340	0.7
73.24149	0.5
96.09510	0.4
107.01403	1.8
109.02959	1.3
121.02985	1.5
133.02962	1.1
135.04602	0.9
137.02536	0.9
147.00865	0.7
151.00388	9.4
163.00427	1.1
165.01913	1.2
171.04626	0.7
175.00444	1.0
175.04071	0.8
178.99879	3.0
179.03593	0.7
199.04088	2.5
201.01973	1.3
203.03391	0.6
215.03506	1.6
226.02919	1.0
227.03517	3.5
229.05106	0.8
242.02361	0.6
243.03024	4.9
254.02237	1.1
255.02989	6.5
271.02518	58.0
272.02878	1.4
299.02008	100.0
300.02756	30.1
301.03564	41.7
302.04056	1.7
343.04727	1.8
452.12491	0.7
462.08054	13.0
463.08777	4.9
463.88828	0.6
609.14667	33.9
610.14966	1.8
771.19934	54.2
772.20026	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	771.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10625	0.6
59.01392	5.1
60.99304	1.7
61.18622	0.7
61.27476	0.6
61.30616	0.6
72.99318	12.1
78.19045	0.6
82.95420	1.0
82.98209	0.7
83.01421	0.9
88.98815	8.8
96.96030	1.9
98.21761	1.0
101.02475	0.7
106.06671	0.6
107.05051	1.6
109.02996	1.0
116.92859	0.9
117.03529	0.9
123.04523	4.2
133.02977	21.1
134.03755	3.2
135.04541	60.1
136.04832	1.4
149.02458	1.1
161.02463	100.0
162.02817	2.4
163.00394	1.4
164.04797	0.6
166.02777	1.2
174.72897	0.6
175.00351	2.0
178.02779	2.1
179.03517	37.7
180.03922	0.8
187.11328	0.9
190.02733	5.3
193.01448	1.9
193.05072	2.9
193.26900	0.7
196.03723	0.7
197.04562	14.2
197.13431	2.1
205.05092	4.8
208.03862	1.7
211.06075	3.6
223.06154	6.9
229.96637	0.7
241.07143	5.6
315.12430	1.6
337.04184	0.7
359.07736	34.8
360.08072	1.4
367.10312	8.5
403.14041	0.8
411.16779	3.1
455.36060	0.6
521.12897	1.2
573.19696	1.2
591.21088	4.8
609.18774	1.8
771.25116	17.6
772.25970	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43164	0.5
59.01393	3.5
61.98833	1.4
63.24400	0.6
66.68191	0.6
71.01396	0.8
71.42731	0.6
72.99316	10.1
77.50620	0.5
82.90540	0.5
83.01389	0.8
84.16759	0.6
88.98792	0.8
96.96026	1.0
107.05041	1.8
109.02951	0.7
109.10590	0.6
123.04551	3.0
132.02222	1.0
133.02972	12.2
134.03766	6.3
135.04544	100.0
136.04874	1.4
151.04027	0.7
161.02466	55.9
162.02831	1.2
179.03519	49.6
180.03865	1.3
187.11211	1.0
189.09258	1.1
197.04578	10.7
266.90054	0.7
294.50574	0.7
332.91098	0.6
339.23636	0.6
341.08765	1.9
359.07724	23.3
360.08115	1.3
411.16785	4.4
478.88617	0.6
521.13068	5.3
591.20929	18.2
592.21375	1.6
609.21948	6.7
771.25214	15.4
771.38446	1.1
772.24902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.1
61.98829	6.0
68.64348	1.6
69.13000	3.3
69.13396	10.5
72.99316	60.3
79.95733	1.9
94.25392	1.7
96.96022	56.5
98.95602	24.1
98.96453	3.8
99.92597	6.1
107.05051	2.9
109.02997	4.0
121.02931	3.1
122.22224	1.8
123.04530	21.7
133.02975	14.3
134.03757	4.4
135.04543	99.2
136.01657	2.8
136.04857	4.4
145.02962	1.9
149.02507	2.8
149.09723	3.3
151.03986	5.4
161.01115	2.8
161.02463	45.9
161.09735	1.9
162.03021	3.0
175.04056	2.0
179.03520	67.3
180.03871	2.4
181.05138	1.9
197.04579	92.3
204.96019	2.2
217.96954	2.0
232.95518	7.3
233.96451	2.6
247.04004	2.4
249.05496	1.9
293.04535	2.6
293.99820	1.8
321.03876	2.6
323.00180	3.1
323.07663	1.9
339.05353	2.7
350.99512	5.1
359.10254	27.9
373.09326	4.9
376.97485	3.8
378.99280	3.7
387.14661	5.5
411.16306	2.3
479.02429	4.6
494.01025	3.9
495.02011	4.2
521.12585	2.1
524.01740	1.9
547.21326	2.4
567.22266	3.9
573.12012	2.1
573.19690	9.6
591.21082	4.1
609.21936	100.0
610.22406	8.9
673.04236	3.1
771.24945	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	771.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43444	0.3
69.43836	0.3
72.99304	0.3
78.98360	0.1
79.95749	3.7
90.62475	0.1
96.96022	100.0
97.96007	0.2
98.21762	0.2
110.50967	0.1
114.93388	0.2
121.85911	0.1
122.06152	0.3
126.78904	0.1
133.02985	0.3
135.04532	0.5
146.66367	0.1
152.07153	0.4
155.97414	0.2
161.02475	0.3
161.04532	0.1
163.04057	0.1
179.03531	0.2
189.37419	0.1
197.04555	0.5
278.06870	0.1
359.09811	0.2
380.95090	0.1
609.22296	0.4
641.26196	0.6
673.28802	0.6
679.20459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	23.0
62.90675	0.5
69.23797	3.0
71.01392	10.9
72.99293	1.5
73.02942	1.1
79.67542	0.5
83.01394	2.6
85.02972	3.3
89.02460	8.0
95.01398	3.7
95.05013	0.8
96.96022	1.3
101.02470	5.1
102.16470	0.6
107.05053	0.7
109.02969	1.1
113.02463	4.0
119.03497	4.3
123.00898	20.3
123.04513	0.9
133.02960	3.0
135.04543	5.0
138.03244	11.3
143.03580	0.8
145.03033	0.9
151.03941	0.7
153.05579	4.3
161.02452	5.6
161.04559	1.4
161.13354	4.9
165.05402	1.0
166.99870	22.1
167.53831	0.6
168.00459	1.0
177.01956	2.1
179.03537	2.1
179.05644	2.6
181.05040	1.3
182.02228	66.4
183.02803	2.3
187.11267	5.9
197.04568	100.0
198.04895	2.5
199.55063	0.6
205.12341	6.0
206.97574	0.9
229.12334	1.1
231.10271	1.1
249.11415	2.9
257.04660	2.0
273.11249	1.5
291.12366	0.9
297.11359	0.7
315.12311	1.5
333.13382	1.6
359.09250	0.9
392.11945	0.6
393.15530	7.7
411.16406	1.0
547.21844	6.0
548.22083	0.9
573.21820	9.2
591.20984	8.3
592.21478	1.2
771.27319	18.3
772.27435	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	771.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.5
59.01385	48.3
67.81843	1.2
71.01391	23.4
72.99318	4.1
73.02959	1.3
76.45152	1.2
78.01115	1.7
83.01400	6.4
85.02952	4.0
87.00844	1.5
89.00340	3.4
89.02452	24.2
91.01908	2.0
94.58551	1.1
95.01411	3.3
95.05059	1.7
95.18888	1.2
96.96027	3.7
97.02952	1.3
99.00892	1.1
99.04513	2.1
101.02447	12.9
106.00621	2.6
109.02998	2.0
111.00927	1.2
113.02473	9.7
119.03508	10.2
121.02967	36.9
123.00916	3.0
123.04553	1.8
131.03389	1.1
133.02971	3.1
135.04553	5.8
138.03223	5.3
139.03984	2.2
143.03529	2.7
152.09830	1.2
153.05595	27.4
161.02466	6.6
161.04562	2.1
161.09799	1.3
161.13391	10.4
166.99855	3.5
179.03505	2.8
179.05605	11.3
182.02286	8.1
183.02977	1.3
185.13422	1.5
187.11316	13.4
192.98184	1.1
197.04570	100.0
198.04884	1.5
205.12398	12.2
211.06078	1.5
211.11295	1.2
224.03365	2.0
229.12340	4.5
239.05571	10.0
249.11380	10.3
255.10338	1.7
261.42374	1.1
273.11368	3.1
291.12366	4.7
297.11420	1.3
311.05502	1.5
315.12390	4.4
333.13409	2.5
359.10345	1.4
393.15579	18.2
411.16595	3.7
429.17413	3.1
530.28522	1.2
531.67963	1.3
547.21997	5.3
573.21875	24.1
574.22467	1.3
591.21082	12.4
685.40161	1.7
771.27722	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	771.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90593	0.5
57.03449	0.8
59.01384	100.0
60.01729	0.5
63.78695	0.4
65.32238	0.4
70.49786	0.7
70.50127	0.6
71.01385	18.8
72.99310	0.9
73.02953	8.0
83.01404	3.5
85.02963	7.5
87.00891	0.7
88.98835	1.3
89.02454	9.1
93.89060	0.4
95.01418	1.7
96.96015	4.5
97.02988	0.9
98.95615	1.3
98.96445	0.5
99.00898	1.2
101.02456	12.3
113.02460	13.3
116.92896	0.6
119.03553	3.3
125.02475	1.4
131.03519	0.9
133.03020	1.9
135.04561	3.8
140.56664	0.5
143.03528	3.6
147.37828	0.5
149.04611	1.1
154.41228	0.5
159.03096	0.8
159.04433	0.5
161.02521	3.1
161.04579	8.9
161.05869	0.7
179.03532	1.7
179.05580	2.5
197.04588	0.6
203.05678	1.1
221.06738	0.6
225.45615	0.4
359.07819	0.7
383.07852	0.7
401.23672	0.4
411.18530	0.6
419.24399	3.1
437.25601	1.9
479.26654	1.8
563.29016	1.7
581.29535	6.0
582.29950	0.7
599.30951	2.8
623.30750	2.5
641.31665	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	771.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
59.01387	28.4
69.03454	0.9
70.24525	0.5
70.25008	0.6
71.01389	7.4
72.99322	1.1
73.02955	21.0
73.03374	1.1
78.14824	0.6
78.74510	0.5
81.07072	0.6
83.01385	5.4
85.02955	0.9
96.96027	10.6
97.02960	0.9
98.95604	5.0
98.96445	0.8
101.02450	19.9
101.23737	0.7
113.02455	4.0
116.10242	0.6
125.02460	2.9
126.90450	1.3
131.03523	1.9
132.02180	0.8
133.02936	1.8
134.03694	2.0
135.04529	2.3
143.03500	2.1
149.02455	0.7
155.03496	1.9
160.01717	4.2
161.02484	3.7
161.04568	2.3
175.04021	5.7
178.66922	0.8
179.03497	1.3
180.81334	0.6
193.05086	0.7
197.04596	0.9
203.05640	6.2
215.95135	1.0
243.94687	1.2
333.99442	0.8
350.99860	0.8
360.98120	1.2
361.98776	2.5
409.31528	0.7
469.33572	1.1
487.34357	100.0
488.34665	6.9
497.32980	4.7
501.35904	4.8
509.32809	1.7
529.35352	21.5
530.36066	1.3
559.36548	1.5
589.37506	0.8
693.23914	0.7
727.33527	1.1
735.04193	1.1
735.25262	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	771.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	52.9
61.98851	53.6
68.35868	38.7
68.88738	39.4
70.34198	88.7
93.07140	40.8
124.10841	41.0
161.02496	48.8
175.04254	40.2
197.13773	45.4
223.13464	100.0
293.21277	50.9
502.75571	42.5
557.52136	48.6
665.32678	44.6
724.88159	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60624	0.3
69.48623	1.0
83.33225	0.4
83.47649	0.3
90.57098	0.4
131.28389	0.4
142.18213	0.4
198.74316	0.4
227.10793	2.8
299.20200	100.0
300.20544	5.2
337.50882	0.4
417.33124	0.4
452.13281	0.4
471.34592	2.6
519.10773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27480	1.5
72.99312	3.5
82.73579	1.7
89.92462	1.4
102.63238	1.6
131.00237	1.4
133.02959	2.0
134.03777	3.4
135.04546	5.3
145.03049	1.7
149.97742	2.4
161.02454	5.3
167.98819	3.5
177.97284	7.8
178.97945	2.0
179.03465	1.8
188.96437	2.5
190.97992	9.9
193.96637	2.4
195.98386	2.5
204.95914	8.8
205.97820	2.2
206.97510	59.3
207.97881	6.5
218.97588	1.9
221.96269	3.5
222.97087	11.2
223.97746	2.2
232.95363	2.6
234.96997	5.9
249.95789	1.9
250.96486	14.9
251.96767	2.0
263.11237	1.5
265.95044	1.9
283.00983	1.9
295.00577	2.8
296.01288	3.1
297.99286	2.2
304.93939	2.5
308.98364	2.5
311.00162	26.4
312.00931	7.9
313.98764	1.7
320.98447	3.6
321.99350	13.4
323.00107	30.5
324.00906	65.6
325.01553	11.4
326.99716	2.5
337.98801	2.7
338.99692	9.3
340.00351	38.0
341.01016	6.8
349.98950	3.2
350.99258	1.9
352.00275	2.3
354.99106	7.7
355.99881	10.4
365.98343	18.2
366.98953	6.2
367.99899	99.9
369.00485	16.9
370.00848	4.8
383.99377	66.1
384.99966	5.4
386.00897	5.0
393.97803	3.6
403.01126	3.9
411.98898	89.1
412.99530	21.1
414.00168	21.8
426.97626	2.7
427.98334	6.6
429.99979	15.8
444.98523	8.6
445.98999	7.9
448.00748	4.6
548.04114	7.2
564.03882	7.4
574.01642	1.9
592.03107	58.5
593.03345	5.1
610.04193	100.0
611.04712	9.4
749.09210	1.7
772.07379	30.8
773.07904	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	772.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.1
68.99827	1.4
71.13731	1.2
72.23558	1.3
72.99310	7.0
73.26112	1.5
87.00904	7.2
97.02964	2.6
109.02956	4.0
111.00897	1.9
111.18459	1.3
112.98830	19.9
117.03482	2.8
123.04470	1.3
132.02206	2.1
133.02939	2.6
134.03767	36.1
134.47919	1.4
135.04515	5.2
137.02455	5.9
139.04021	11.2
140.04399	4.2
144.87747	1.4
145.03011	1.6
149.02492	2.5
149.06094	9.5
151.04034	1.8
153.01949	7.4
160.01729	9.5
161.02457	10.4
162.03220	11.2
163.04057	3.0
165.01961	19.6
166.02296	6.0
175.04007	11.1
176.04733	2.8
177.05563	4.4
178.02742	4.7
179.03491	2.9
190.02734	7.1
191.07118	5.6
193.05116	14.8
202.02737	4.3
205.05037	7.4
218.02283	2.5
219.06621	3.9
220.24886	1.5
230.02153	3.1
233.04556	41.4
235.06038	2.3
245.04517	3.5
267.02795	1.4
283.22189	1.6
285.04001	2.6
289.03583	3.0
301.03400	1.5
307.04639	100.0
308.04956	3.9
429.10413	10.2
430.10684	11.0
720.14966	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62498	0.8
59.18347	0.7
72.99315	2.5
96.95995	0.8
108.02193	2.8
109.02966	37.6
121.02974	3.1
123.04491	2.0
124.01662	1.4
133.03004	1.0
135.04535	2.1
137.02408	1.1
145.02943	1.4
147.04567	2.0
149.02422	1.4
157.02982	1.1
158.03835	1.2
159.04530	10.3
160.01689	1.5
161.02448	3.4
161.41464	0.9
167.03618	1.6
173.02388	1.7
175.03986	1.6
179.03528	2.1
185.02470	11.4
186.03185	2.3
194.05759	1.0
195.06648	1.3
197.04433	1.4
197.06081	2.0
207.02892	1.9
211.04050	1.6
212.04842	1.4
213.05663	1.5
215.03503	1.0
224.04723	1.7
225.05537	1.8
227.03404	2.1
229.05083	1.7
235.04063	0.9
237.05699	2.0
239.03389	2.1
240.04242	2.6
241.05089	3.7
243.02831	1.0
243.06596	0.9
248.81989	0.8
249.05516	1.5
251.03471	3.2
252.04372	1.2
253.04991	2.4
254.05777	1.1
255.03004	3.0
256.03738	2.3
257.04565	2.9
258.05383	1.3
259.06039	1.6
265.05066	2.3
267.02994	5.5
267.06445	1.9
268.03702	4.8
269.04593	3.7
269.08197	12.5
270.05313	3.4
271.02618	1.1
271.06168	2.2
273.03870	1.0
277.05084	3.7
279.02969	5.9
280.03793	2.9
281.04395	1.0
285.03882	1.9
286.04761	2.4
287.05551	1.6
288.06418	1.3
293.04688	2.5
294.05127	1.2
295.02512	2.3
295.06107	9.2
296.03348	10.0
296.06406	1.6
297.04105	6.4
299.05597	2.7
301.03748	1.3
310.04721	1.2
311.05478	4.2
312.06378	2.1
313.03848	1.0
313.07233	5.1
314.04343	2.0
314.07684	1.1
315.05197	4.0
321.04053	12.0
322.04276	1.4
327.05136	5.5
328.05896	5.2
329.06647	2.7
339.05078	19.0
340.05426	1.8
343.04617	6.7
344.05292	8.0
345.06110	3.3
346.06790	1.5
347.07816	1.2
353.06619	1.1
356.05368	13.8
357.06122	6.9
359.07730	1.6
371.07663	13.3
375.07065	2.0
387.06985	1.4
389.08832	9.7
400.07651	1.1
401.04980	2.5
415.06723	3.5
417.08209	1.7
433.07782	100.0
434.08148	6.0
435.09137	1.2
543.32666	0.9
685.16089	2.1
729.14508	1.7
793.17169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99311	4.1
77.08295	1.8
96.96018	11.0
98.21832	6.6
101.63778	1.7
109.02964	100.0
110.03303	2.8
122.41190	1.5
122.73381	1.6
123.04533	2.4
131.57178	1.6
135.04530	7.4
145.02946	2.6
147.04590	7.9
157.02979	7.1
158.03763	2.6
159.04538	26.8
173.02463	3.1
176.07423	1.7
179.03479	4.2
185.02449	60.0
186.03140	9.8
187.04004	3.4
197.04532	3.0
213.05576	2.0
214.11237	1.7
221.06108	2.9
224.04831	2.5
225.05630	3.3
229.69485	1.6
233.04637	4.6
233.08533	24.9
236.05026	2.2
237.05666	2.8
241.05063	8.5
247.04065	2.0
248.04691	1.8
249.05565	4.9
251.03510	15.2
252.04279	4.6
253.05046	5.3
265.05127	3.3
266.05560	2.7
267.06522	4.8
269.04797	4.6
269.08182	34.8
277.05032	7.6
279.02921	9.6
280.03802	7.7
283.06186	2.4
287.05667	1.8
293.04529	7.9
295.06131	31.2
296.06711	1.8
309.04333	1.9
311.05649	18.3
313.03976	2.1
313.07089	9.6
321.04077	31.7
322.04581	2.7
329.06689	7.0
339.05099	51.4
357.06119	11.7
375.07391	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	773.137
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48976	3.2
67.58528	2.9
72.99307	10.9
75.46889	2.9
78.28778	3.0
82.31140	2.9
96.96023	6.3
104.52145	2.8
109.02964	100.0
110.03305	3.6
110.39306	2.9
113.40074	2.8
123.04525	6.5
127.43968	3.7
135.04538	13.7
145.02989	3.6
147.04509	4.0
157.02989	4.3
158.03754	3.8
159.04533	22.1
161.02393	3.5
179.03542	5.0
185.02463	48.5
186.03209	10.1
225.05664	5.3
237.05719	3.6
241.05231	6.6
251.03593	17.6
267.06467	4.8
269.04449	4.5
269.08203	22.1
270.08310	3.7
277.05054	7.9
279.03052	8.9
280.03687	8.8
281.04193	4.4
293.04544	8.7
295.06174	33.9
311.05652	15.9
313.07095	8.0
321.04053	40.0
322.04547	6.3
329.06793	8.2
339.05161	51.4
340.05475	5.2
357.06189	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	773.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04798	0.4
55.01857	0.6
59.01385	24.8
69.18901	1.0
69.19312	1.8
71.01393	7.6
72.99326	0.6
73.02953	24.8
75.33533	0.5
83.01403	6.6
85.02959	2.1
89.02459	2.0
90.03470	0.5
101.02455	15.3
109.02946	0.8
113.02438	2.7
119.03526	1.1
131.03499	0.9
135.04567	1.2
137.61128	0.5
137.88034	0.5
138.67747	0.5
143.03502	1.0
149.04570	1.4
161.02449	0.8
161.04581	2.5
179.03406	0.6
197.04445	0.8
203.05614	0.5
221.09766	2.5
249.09271	3.8
276.07938	33.2
277.08713	100.0
278.09000	4.1
295.06271	0.8
321.04114	1.4
322.04529	0.8
330.92514	0.5
339.05084	0.9
481.15070	1.8
487.34229	1.3
643.20471	1.9
685.21466	20.4
686.21490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73314	1.5
59.01387	4.7
69.63745	5.7
71.01417	1.8
72.99316	2.5
79.95755	5.6
82.29505	1.4
96.96024	100.0
97.95978	2.1
98.94965	2.9
98.95615	36.8
98.96447	6.0
99.92585	9.2
107.03853	1.3
109.03004	1.5
114.87307	1.4
115.92079	1.6
116.92875	21.3
122.06165	2.0
133.03018	4.1
135.04558	4.0
150.05719	1.6
152.07190	2.8
161.02480	5.7
177.01962	1.5
179.03506	1.4
190.77592	1.4
270.83502	1.4
329.87292	1.7
452.07068	1.8
468.06598	1.8
482.08377	2.5
483.09406	1.7
508.05798	2.0
510.07690	2.7
511.08081	2.5
512.09314	5.4
528.09021	1.7
539.07977	2.5
556.08331	3.5
570.10065	3.4
571.10187	6.7
587.13873	2.2
588.11053	1.6
600.10858	2.1
601.11371	2.3
614.08813	4.1
615.13324	9.4
629.11121	3.1
632.10712	2.4
633.14795	9.6
675.15869	5.9
706.15778	1.8
719.14874	3.1
737.19403	2.2
769.19342	1.9
773.21368	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	773.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	10.5
59.01384	10.4
69.27168	0.6
69.27576	1.4
71.01395	0.5
72.99314	16.2
73.02965	0.3
85.02968	0.5
99.04530	12.5
101.02454	2.5
107.05048	0.6
109.02953	1.0
123.04533	7.4
125.02464	6.1
132.02156	0.5
133.02966	22.1
134.03664	0.4
135.04541	18.5
143.03490	0.7
151.04063	0.7
161.02463	100.0
162.02744	2.6
172.02931	0.3
179.03519	14.4
180.03896	0.4
184.11018	0.4
194.67595	0.3
197.04562	21.1
198.04880	0.5
214.69937	0.3
269.10342	1.1
311.11383	2.5
312.87512	0.4
315.08948	0.3
321.04135	0.5
351.14685	0.5
359.07745	41.2
360.08136	2.4
407.62405	0.4
413.14496	3.2
472.76807	0.4
606.85852	0.3
642.77405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	7.1
73.02568	4.4
73.02959	59.2
80.05091	4.8
96.95977	4.6
106.06650	8.5
122.06147	20.9
129.26376	2.5
133.03052	3.4
134.06149	37.6
135.04538	6.4
146.06096	2.4
152.07172	2.9
160.06348	2.8
161.02408	7.3
174.05647	3.4
179.03452	3.8
188.07195	5.8
211.08768	3.0
213.10345	13.2
225.10313	4.3
226.46744	2.6
227.11914	4.8
237.10242	2.5
239.11905	10.5
241.13448	8.5
242.09703	2.7
248.40726	3.1
250.07556	2.8
251.12061	3.1
253.09756	3.5
255.97516	2.5
263.08264	5.3
265.09818	10.0
267.11615	3.8
277.09888	6.8
278.07007	6.3
278.10571	5.5
279.07867	6.8
279.11240	5.3
285.12500	21.8
291.07968	3.4
293.09338	22.0
293.12817	6.8
294.09976	5.5
295.10956	11.6
305.09311	8.8
306.10147	5.3
307.10919	10.1
321.08813	3.3
337.08548	13.0
337.12006	3.5
358.15628	7.3
368.14090	2.7
379.13028	3.9
399.15839	3.7
400.16580	10.0
412.16983	3.5
440.15753	3.3
441.16830	6.0
442.17529	9.2
456.19574	5.5
486.16833	5.9
516.21344	2.9
530.22626	13.7
532.20941	3.0
547.23431	10.2
559.19830	3.5
560.20416	13.3
574.22040	35.0
579.25879	3.6
591.22626	9.6
606.25244	33.7
607.25507	4.4
621.27454	22.1
623.25281	7.2
648.43195	2.9
653.30145	28.6
654.30060	2.9
665.26141	16.0
697.28864	100.0
698.29065	10.2
729.31848	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	773.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03454	1.4
59.01385	100.0
64.27802	0.6
69.03483	1.0
71.01389	24.2
72.99332	2.2
73.02954	11.5
83.01406	2.3
85.02956	7.3
87.00881	1.9
89.02461	13.5
93.03458	0.7
95.01407	2.8
96.96015	0.9
97.02971	1.2
98.22729	1.0
99.00916	1.0
101.02457	14.0
109.02995	0.8
113.02467	17.3
116.01706	0.6
119.03505	5.6
124.01734	0.7
125.02472	2.4
131.03555	1.0
133.03000	1.9
135.04556	4.8
138.94183	0.5
142.53528	0.7
143.03468	5.0
149.04532	1.4
161.02499	3.6
161.04552	8.8
161.05690	0.8
162.02849	0.6
179.03633	1.9
179.05586	4.1
197.04709	1.5
203.05634	0.9
246.23491	0.6
353.78482	0.6
359.07959	0.7
374.83441	0.7
382.26556	0.7
411.84857	0.8
474.60059	0.7
565.30530	2.7
583.31116	17.5
584.32251	1.2
601.32245	8.4
625.32501	3.9
643.33392	10.4
685.35297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91227	0.3
61.98824	0.5
71.01393	0.4
78.95912	2.8
79.95740	3.4
94.92524	1.2
96.92233	2.2
96.96021	100.0
96.96906	4.0
108.25461	0.3
161.02505	0.7
205.73842	0.3
261.40106	0.4
277.21884	0.5
397.13516	0.9
435.08325	0.8
453.09323	1.4
713.30603	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	773.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74340	0.2
55.33607	0.2
59.01382	0.5
61.98857	0.3
71.01382	0.6
78.95914	3.5
79.95743	3.4
85.93819	0.2
89.26414	0.2
90.05148	0.2
93.11145	0.2
94.92513	0.7
94.98136	0.3
95.31428	0.2
96.92235	1.4
96.96022	100.0
96.96906	3.4
97.02991	0.2
97.96001	0.4
101.02464	0.2
109.27192	0.2
113.02468	0.2
118.96657	0.3
147.20502	0.2
159.78424	0.2
168.98184	0.3
182.99959	0.3
277.21780	0.7
291.04211	0.3
361.04520	0.4
375.18634	0.3
397.13605	0.7
407.17612	0.7
433.72598	0.2
435.08444	1.0
436.08875	0.2
453.09430	2.1
713.30652	2.6
746.86957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62782	3.0
61.98826	6.2
69.82690	4.0
83.52998	2.9
91.02312	3.0
96.96027	3.8
98.21860	6.6
135.04582	4.6
149.02415	6.5
154.63281	3.6
157.41574	3.3
161.02444	27.3
164.04765	5.5
171.10252	3.1
176.04805	17.7
179.03505	30.7
179.07121	10.2
191.07217	8.4
194.05829	32.7
209.08215	100.0
210.08578	4.5
315.19742	14.7
357.29410	3.3
389.59116	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	773.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	39.0
69.41630	25.4
69.42018	34.2
89.43963	12.6
205.57329	13.7
207.10330	61.3
211.13422	14.0
225.11221	19.1
253.09283	22.7
279.61472	14.4
280.44525	14.7
293.21295	100.0
309.05576	13.0
382.36804	16.0
396.26791	13.0
737.41040	36.6
773.39508	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	774.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56044	1.2
69.10455	3.3
69.10871	3.6
72.99311	23.7
75.14030	1.0
87.03552	1.1
97.06220	1.2
107.76362	1.1
108.02193	1.4
109.02960	46.2
118.06644	2.1
121.02966	1.7
122.02499	1.5
123.04526	4.6
135.04536	10.7
136.04060	7.2
137.04768	1.2
145.02945	1.4
147.03296	2.4
147.04468	2.7
149.02400	1.6
150.03223	2.7
150.05598	3.4
151.04018	1.3
157.02989	1.3
158.03731	1.1
159.04507	8.0
160.04059	1.2
161.02493	1.9
162.05637	8.1
164.77945	1.0
166.05081	3.2
173.02431	4.2
175.04047	1.4
179.03516	4.0
180.06680	2.9
181.55640	1.2
185.02444	31.6
186.03163	5.8
192.06738	2.7
192.45370	1.2
193.06456	1.9
197.04532	2.8
203.03506	2.5
210.07719	7.8
221.06157	3.3
223.03925	1.2
225.05580	2.7
236.05743	3.0
237.05589	1.9
239.07143	1.4
247.03909	1.1
248.04820	3.1
249.05635	6.8
251.03516	4.7
252.04190	1.9
253.04953	1.2
254.06715	18.7
264.04236	1.5
265.05020	6.1
267.06570	4.3
276.04272	2.1
277.05148	9.7
279.03003	16.0
280.03632	4.3
293.04556	8.7
294.05280	2.2
295.06119	45.7
296.06500	2.2
303.03021	1.7
313.07220	3.9
315.60919	1.2
321.04056	100.0
322.04327	3.5
335.05658	1.2
339.05084	23.1
340.05582	2.2
353.06494	2.6
372.54398	1.1
493.11215	6.6
519.09332	51.9
520.09601	3.5
533.10840	1.5
606.22302	1.1
612.41272	1.0
776.11609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01006	1.8
61.07113	1.7
63.89860	1.8
70.92013	1.8
71.39913	1.6
72.99328	4.6
76.16245	1.6
93.03513	1.9
96.96020	15.7
97.12216	1.8
98.21815	4.5
109.02959	100.0
110.03336	2.1
115.05538	1.7
121.02978	2.2
123.04536	3.8
133.02940	4.0
135.04541	8.5
137.02466	2.9
145.03029	3.7
147.04536	7.9
148.66135	1.9
149.02444	4.2
150.03165	2.9
151.03978	6.1
156.56433	2.1
157.02998	3.9
158.03761	4.4
159.04568	21.7
161.02448	5.1
165.05598	4.4
173.02473	5.9
175.04053	5.1
179.03572	3.2
181.05122	2.0
185.02446	50.8
186.03203	11.4
193.06551	2.4
197.04617	2.1
202.02733	2.9
203.03514	2.7
209.06172	2.9
220.05403	2.1
221.06114	4.5
224.04669	1.9
225.05608	5.3
227.03554	2.9
237.05714	4.3
239.07076	3.7
247.04211	2.4
248.04744	4.6
249.05569	9.7
251.03523	4.1
252.04333	2.5
253.05168	2.3
254.05963	3.4
265.05081	5.9
267.06726	5.5
269.04956	2.5
269.08176	29.4
277.05045	15.0
279.03046	14.0
279.06061	2.1
280.03799	7.0
281.04486	2.5
282.59723	2.2
293.04529	14.4
294.05292	2.3
295.06155	49.1
296.06598	3.7
299.05658	2.4
311.05844	1.9
313.07178	4.9
314.95062	1.8
319.02786	3.0
321.04050	77.1
322.04272	4.0
323.05231	2.5
339.05103	59.1
353.06940	2.8
359.07721	5.3
373.09277	2.1
403.06543	4.4
433.08383	2.5
434.08121	3.6
435.08875	2.8
493.88406	1.9
533.11627	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	775.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66091	0.3
61.17123	0.3
66.72639	0.3
71.47031	0.3
72.99301	1.1
81.03463	0.5
81.16484	0.4
82.24412	0.4
98.21886	0.8
108.02178	1.8
109.02962	41.1
115.05529	0.6
121.02970	0.8
123.04513	0.6
129.03418	0.4
133.02945	0.4
135.04546	1.1
141.03519	0.5
141.04585	0.4
145.02997	0.7
147.04544	1.5
149.02484	1.2
152.01205	1.9
157.02945	1.4
158.03740	0.7
159.04539	4.3
161.02408	0.6
163.00366	1.8
164.01207	2.1
167.03487	1.4
173.02441	2.1
177.01953	0.6
179.03467	1.2
183.08160	0.4
185.02457	20.4
186.03210	5.8
190.99904	0.9
193.06491	0.6
197.04532	0.5
205.01421	0.5
208.05334	0.9
209.06099	1.6
211.07631	0.6
220.05331	0.5
221.06099	2.3
222.01675	0.6
223.02478	1.6
223.07593	0.7
224.04802	1.6
225.05598	3.6
237.03941	2.3
238.06358	0.6
239.07149	2.3
248.04753	0.8
249.05597	4.4
250.06252	0.9
251.03427	2.0
251.07231	0.4
252.04195	2.0
252.25653	0.4
255.05188	0.9
265.05087	1.5
266.05719	1.1
267.06625	5.9
269.08237	1.8
276.04282	0.8
277.05069	8.8
278.05756	1.1
279.03033	4.8
280.03751	6.6
281.04105	0.5
293.04581	3.8
294.05115	0.5
295.06152	22.0
296.06500	0.8
313.07062	0.5
321.04065	11.5
322.04312	0.4
339.05109	100.0
340.05487	5.4
359.87595	0.4
551.11761	1.3
577.09949	3.8
578.10321	0.5
745.11285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81679	5.2
72.99310	5.9
98.21874	12.1
107.45152	4.4
109.02956	53.7
123.43552	5.5
123.75833	5.8
135.04547	97.7
137.02438	31.8
148.01692	24.3
149.00697	5.8
161.02490	9.5
161.06076	5.3
171.47911	6.0
179.03511	100.0
185.02455	26.2
186.03178	6.5
189.07689	17.1
207.02985	41.4
225.04013	55.0
225.05748	5.0
277.05045	10.8
279.03085	9.9
280.03772	7.1
295.06155	25.5
321.04141	27.3
339.05084	74.0
369.06216	7.9
387.07211	7.7
554.94537	6.5
637.56561	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	775.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
65.20245	0.4
68.68448	0.4
69.41237	1.1
69.41621	1.5
72.99319	2.0
93.03488	0.6
105.03493	1.7
106.04335	0.5
107.05061	1.7
108.02169	0.7
109.02963	2.0
111.00928	0.6
117.03477	1.0
121.02960	1.1
123.00931	1.0
124.01724	0.5
132.02188	0.8
133.02972	11.5
134.03769	7.1
135.04544	100.0
136.04869	2.1
137.02466	5.4
139.03998	0.6
148.01657	2.8
149.02435	2.4
151.04021	0.8
161.01105	1.0
161.02466	20.0
162.02823	0.5
163.00340	0.7
165.12354	0.5
166.02736	1.3
177.01961	1.9
179.03516	78.4
180.03835	2.8
181.05116	3.3
193.05011	0.8
197.04495	0.7
199.03951	0.6
207.02997	5.7
211.03938	0.7
212.04903	0.5
213.05467	0.7
214.02643	1.3
224.04735	0.7
225.03906	3.7
225.05913	0.4
226.02771	0.7
227.03496	0.9
229.05060	0.6
233.04535	0.6
240.04274	1.6
241.05043	1.9
242.02187	2.4
243.03023	2.1
252.04214	0.8
253.01268	0.6
253.05122	1.2
254.02263	3.1
255.02954	0.9
257.04520	0.7
261.03934	1.1
267.03189	0.6
268.03769	2.1
269.04550	4.0
270.05276	1.8
271.06039	0.8
279.03021	0.9
280.03726	0.9
283.06238	0.9
285.04025	2.6
285.07492	0.7
286.04663	1.0
287.05539	0.6
295.06070	0.5
296.03098	1.1
297.04086	1.3
299.05630	0.7
299.09174	0.6
301.03632	0.6
301.07059	2.3
311.05634	2.7
312.02765	1.6
312.06174	0.8
313.03607	12.3
314.04099	2.3
321.04327	0.7
329.06650	1.3
330.03848	1.0
331.04498	1.7
333.06006	1.2
339.05157	3.1
340.05923	3.8
341.06421	0.9
343.08243	4.2
345.06122	1.5
356.05429	1.0
357.06177	9.3
358.06778	1.1
371.07727	9.3
372.08011	1.1
375.07147	1.0
387.07379	2.3
389.08838	2.3
401.05118	5.9
409.05646	0.5
415.06650	1.9
419.06180	1.1
433.07779	6.0
451.08765	1.3
463.08591	0.6
489.55090	0.5
519.09308	4.4
520.09601	0.8
521.19940	0.5
551.03796	0.9
551.11920	12.3
581.09381	2.4
595.10626	1.8
613.12177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	27.5
69.13478	43.5
83.66923	7.3
98.22604	20.4
135.04565	10.0
194.63448	7.5
209.11835	100.0
227.12820	17.0
253.09346	16.3
293.21432	50.4
330.98923	8.2
357.19925	8.5
400.41452	8.3
421.51489	8.5
445.20258	8.8
569.93170	9.4
775.40704	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	29.4
79.01609	12.5
81.96543	14.4
154.37242	12.6
171.10283	29.4
201.13747	12.9
207.10194	28.9
225.11339	87.8
277.21750	100.0
278.21677	15.0
461.20267	15.9
695.40002	18.6
721.41833	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86837	34.5
61.98832	41.4
69.74484	100.0
77.15780	26.5
98.21919	43.1
100.65288	29.1
135.04524	31.4
145.26430	27.8
161.02446	45.3
211.13483	42.9
212.36116	30.1
248.61552	30.4
588.59296	38.2
761.10950	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	775.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74159	99.2
63.39835	75.3
67.31297	83.2
71.28970	100.0
87.82160	81.6
135.63754	83.1
140.68423	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38079	0.3
65.75396	0.4
66.44952	0.4
70.79891	0.3
72.99312	12.0
76.03222	0.4
81.03445	0.4
88.79982	0.3
93.03457	1.3
93.42434	0.4
95.05042	0.5
105.03490	0.7
107.05049	1.0
108.02182	0.7
109.02963	8.0
110.03750	0.4
121.02966	3.2
122.03758	1.1
123.00900	1.0
123.04541	4.1
124.01651	0.8
132.02208	1.4
133.02972	22.1
134.03725	1.6
135.04538	31.5
136.01727	0.5
136.04872	0.8
137.02454	6.8
138.03246	6.4
139.04033	2.0
147.00888	0.4
148.01724	0.5
149.02440	4.6
150.03229	1.7
151.04018	7.7
153.05611	0.4
159.04510	1.1
161.02460	100.0
162.02777	2.8
163.04056	0.9
165.01953	0.9
165.05650	0.4
166.02744	8.9
173.02431	0.5
177.01978	0.7
179.03514	28.2
180.03896	0.5
181.05087	17.3
182.05479	0.5
185.02466	3.7
186.03264	0.6
193.01416	1.5
195.03003	5.1
195.04655	0.6
197.04559	1.9
197.06168	0.4
199.03918	0.4
207.02998	1.7
209.04480	0.5
212.03278	1.7
221.06110	1.1
224.04803	0.8
225.03864	0.8
225.05858	0.7
227.05675	3.2
237.05666	0.4
239.07019	0.5
248.04889	0.4
249.05547	1.7
251.03508	0.8
263.03461	0.5
264.04321	0.6
265.05038	1.0
267.06595	1.0
275.03543	0.5
276.04306	0.4
277.05042	2.7
278.76028	0.4
279.02908	2.3
280.03729	1.2
284.06961	0.5
293.04498	2.6
295.06116	3.6
297.07797	1.7
299.09308	1.7
308.03375	0.5
311.10205	0.4
321.04001	5.4
323.05527	0.6
339.05099	10.0
341.06519	0.8
343.08224	10.8
344.08804	0.7
353.86646	0.4
359.07697	1.7
367.04547	3.7
381.05933	0.5
385.05612	1.2
389.08804	14.7
389.13870	0.8
390.09061	0.8
393.07098	0.4
459.11084	0.8
477.11710	0.5
503.09964	8.2
504.10898	0.6
565.09717	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	777.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42030	1.0
72.99317	4.9
73.28898	0.7
76.59921	0.7
83.61255	0.7
88.53065	0.8
96.96021	3.9
98.95589	0.7
108.02189	2.1
109.02962	61.5
110.03297	0.9
112.63104	0.8
115.05552	1.2
121.03016	2.5
123.04551	2.0
124.01672	1.4
135.04552	6.4
137.02446	2.1
138.03183	0.9
145.02965	2.6
147.04568	3.1
149.02448	1.2
150.03271	1.3
157.02988	3.4
158.03773	1.1
159.04521	5.9
161.02463	2.9
173.02386	4.7
175.03963	1.4
179.03563	3.2
184.01624	1.2
185.02458	39.4
186.03230	10.3
187.01071	0.9
187.04039	1.0
188.56363	1.0
193.06606	2.6
197.04538	2.2
197.06096	1.3
199.03857	1.0
201.01833	0.9
204.05716	1.0
208.05457	0.9
209.06082	3.6
213.01976	1.4
219.04523	1.1
220.05264	2.4
221.06085	5.8
223.04083	1.0
223.07611	1.0
224.04857	1.7
225.05556	4.7
225.15440	0.8
232.05215	1.3
235.04012	1.1
236.04721	0.9
237.05594	2.5
239.07063	2.7
247.03947	2.2
248.04776	3.2
249.05559	13.9
250.06261	2.2
251.03406	5.4
251.07274	1.0
252.04250	4.5
253.05095	1.5
260.04745	0.9
263.03546	1.2
264.04221	1.6
265.05066	7.4
266.05670	2.4
267.06604	10.5
269.08282	1.5
275.03406	1.6
276.04272	3.0
277.05078	20.8
278.05634	2.0
279.03033	16.4
279.06342	1.0
279.07117	0.7
280.03781	11.6
281.04309	1.7
281.08215	1.1
292.03745	1.2
293.04572	19.9
294.05136	3.2
295.06122	37.6
296.06534	3.4
303.03064	1.5
306.05112	1.2
307.06171	1.1
309.07828	1.5
310.08112	1.6
311.05417	1.0
313.07278	1.2
319.02563	1.4
321.04056	53.8
322.04480	4.6
334.04807	1.5
335.05771	1.5
336.02563	1.0
339.05099	100.0
340.01785	1.3
340.05344	6.6
351.05081	3.0
353.06720	6.4
354.07138	7.0
355.07196	5.5
381.06091	4.0
433.12766	1.0
459.10852	5.7
477.12054	2.9
503.09933	40.0
504.10266	5.2
519.09534	5.0
521.10791	1.3
533.10486	1.2
534.11456	2.6
535.11755	5.4
542.15094	1.0
549.10614	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	777.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
69.12257	6.8
70.20171	0.9
72.99319	36.4
98.22708	1.9
107.05052	2.3
108.02238	1.2
109.02975	16.5
121.48064	1.0
123.04545	15.8
131.05060	1.1
133.02975	20.3
134.03802	7.4
135.04544	95.3
136.04857	2.4
147.04514	2.2
151.04024	1.2
157.06622	2.6
159.04538	1.3
161.02466	100.0
162.02817	1.3
175.04016	1.3
179.03529	34.2
180.03851	1.2
183.04553	3.1
185.02464	1.1
191.49236	1.0
197.04573	58.5
198.04868	1.5
222.06920	1.3
223.07637	3.1
239.07166	1.7
249.09283	3.0
250.06396	2.1
251.07080	2.9
263.07059	1.1
265.08716	12.3
267.07101	1.6
267.10312	8.4
269.08282	1.5
275.07217	1.0
285.35397	1.0
291.06546	2.1
293.08203	20.1
294.08682	1.6
295.06088	2.9
297.07251	1.2
309.07690	4.2
311.09222	6.8
319.06113	2.4
327.08777	4.3
337.07236	13.2
339.04797	1.4
341.06744	1.3
355.08279	8.5
359.07767	48.0
381.06192	22.0
382.06543	1.2
399.07141	5.2
410.08420	1.1
491.13730	3.2
505.17032	1.1
517.11511	8.1
535.12231	2.4
579.11542	24.6
580.11914	3.1
597.12408	2.0
746.98950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.168
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45260	1.0
64.37561	1.0
72.99297	1.9
75.44990	1.0
80.72842	1.0
93.03487	1.1
109.02966	58.9
110.03352	1.8
121.03001	1.8
123.04571	2.2
135.04521	4.3
137.02394	5.7
145.02989	1.4
147.04503	2.7
149.02431	1.8
150.03227	3.0
157.02968	2.4
159.04427	5.4
166.72871	1.0
173.02467	4.1
174.03146	1.1
175.03951	1.3
179.03500	1.5
179.63002	1.0
184.01636	1.6
185.02455	39.3
186.03180	9.2
187.03638	1.3
193.06616	2.8
195.04597	1.4
197.04573	2.2
201.02028	1.3
203.04990	1.5
204.05840	1.3
205.06581	1.1
209.06088	2.8
211.07784	1.1
213.01958	1.5
220.05228	1.6
221.06166	7.0
224.04819	2.5
225.05576	6.3
232.05313	1.7
237.05531	4.0
239.07159	3.8
247.03992	2.0
248.04826	3.7
249.05585	16.2
250.06259	1.6
251.03452	8.3
251.07152	1.2
252.04164	4.2
253.04904	2.2
260.05038	1.2
263.03589	1.3
264.04269	1.5
265.05023	9.8
266.05756	2.5
267.06656	8.8
275.03342	1.5
276.04303	3.3
277.05069	22.3
278.05618	3.7
279.03006	22.1
280.03772	11.9
281.04553	2.4
292.03824	2.5
293.04611	18.6
294.05231	1.4
295.06143	42.1
296.06393	2.9
303.03000	3.8
321.04044	88.3
322.04355	7.9
339.05109	100.0
340.05508	9.5
349.07123	2.1
351.05127	1.6
375.42792	1.2
381.06042	5.5
459.11050	11.1
460.11664	1.7
477.11935	4.0
493.10861	1.3
503.09863	84.5
504.10300	10.2
512.86902	1.1
517.16125	1.1
519.09332	3.8
549.10370	13.7
550.10248	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.4
63.89822	0.4
70.74974	0.6
71.01394	1.8
78.95912	100.0
87.00884	1.1
88.73343	0.5
89.02463	1.6
101.02451	1.4
110.89942	5.0
110.98545	52.4
113.02480	0.7
154.20845	0.4
159.53101	0.4
179.05685	1.3
341.10843	1.6
383.11948	3.4
443.14151	0.8
470.99005	0.5
485.15216	0.7
665.21783	7.1
666.21844	0.8
696.61682	0.5
777.20758	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	777.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	54.2
65.29340	1.0
69.22137	7.3
71.01386	16.9
72.99321	2.2
73.02953	56.5
83.01395	15.0
85.02941	3.6
88.65671	1.1
89.02460	3.8
92.24018	1.2
97.02985	1.8
101.02451	31.6
109.02950	3.9
113.02457	5.1
119.03511	1.5
120.06002	1.1
123.04521	1.5
125.02406	1.5
131.03503	3.1
135.04552	2.5
135.15373	1.2
143.03470	2.7
149.04555	2.1
161.04535	5.7
194.07466	1.6
197.04582	1.6
207.11780	3.4
222.06900	8.0
236.08397	4.5
249.09233	5.9
250.10065	4.6
251.10785	58.4
252.11032	1.7
252.96147	1.1
262.09985	7.9
263.10767	49.3
264.11078	3.0
275.30121	1.1
279.10278	1.4
280.11081	39.2
281.11844	100.0
282.12158	4.1
295.06104	1.3
321.04041	4.6
322.04449	1.8
335.12814	1.3
339.05045	3.2
340.05573	1.4
425.16043	3.1
437.25906	1.3
467.17084	1.7
485.18048	2.0
531.08105	1.4
629.22351	1.4
647.23450	5.1
689.24518	60.6
690.25464	2.7
772.71423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
59.62009	0.4
69.09823	1.0
69.10233	1.5
71.01376	0.5
72.99314	16.4
91.05548	0.4
93.42737	0.3
98.22704	0.8
105.03445	0.4
107.05078	0.4
108.02200	0.4
109.02946	1.4
123.04524	6.8
131.49808	0.4
132.02176	0.5
133.02966	20.1
134.03772	0.8
135.04538	21.1
136.04884	0.5
140.66740	0.3
151.04068	0.5
161.02457	100.0
162.02798	2.5
179.03506	16.0
180.03917	0.7
197.04567	22.2
198.04907	0.8
223.02420	0.6
267.10416	0.5
293.08365	0.7
327.08978	0.4
337.07126	0.6
359.07739	44.5
360.08087	2.3
381.06079	0.9
399.07254	0.5
519.84515	0.5
579.11383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29210	0.3
59.01386	12.7
59.10686	0.3
61.98845	0.5
66.03845	0.3
69.49867	0.6
69.50277	0.9
71.01386	2.9
72.99338	0.5
73.02940	1.4
81.03469	0.4
83.01413	0.5
85.02961	1.4
86.26849	0.3
87.00883	1.1
89.02460	0.8
89.03991	0.9
95.01444	0.4
96.96017	0.3
98.21984	0.7
101.02445	1.1
108.02186	0.4
109.02950	0.8
111.46071	0.3
113.02464	1.3
116.92894	0.3
117.03486	3.3
119.05043	0.5
122.03793	0.3
123.04575	0.6
125.02463	0.5
127.04039	0.8
132.02187	32.9
133.03041	2.5
134.03757	41.9
135.04121	0.5
137.02446	0.6
137.06152	0.8
147.04518	0.5
149.06102	4.4
152.04811	1.4
160.01675	96.0
161.02112	3.4
162.03027	0.4
167.07143	2.5
169.05095	0.4
174.03140	0.4
175.04022	100.0
176.04355	2.7
178.02769	1.5
179.03522	0.5
193.05077	35.5
194.05368	1.0
241.08934	0.4
311.11288	1.0
353.12381	0.4
371.13388	1.1
413.14111	0.3
463.15891	0.5
476.63428	0.3
481.16867	0.4
529.17670	0.3
537.35132	0.4
547.18311	17.6
548.18646	1.2
559.20038	0.4
589.19147	1.7
657.22015	2.4
675.23254	0.8
693.24078	0.9
717.24146	1.3
735.12256	0.4
735.25122	7.1
777.26166	14.2
778.26556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50169	0.3
59.01389	3.1
69.21405	2.6
72.99314	15.9
76.06557	0.4
76.65446	0.4
78.91917	0.8
96.96032	2.5
98.22654	0.9
103.90020	0.4
105.03497	0.5
105.34782	0.5
107.05032	0.4
109.02946	1.5
118.68609	0.4
123.04545	6.5
132.02203	0.7
133.02974	20.6
134.03813	0.8
135.04541	20.3
136.04865	1.1
145.02986	0.4
151.03986	0.9
154.28101	0.4
161.02458	100.0
162.02788	3.0
172.66808	0.4
179.03514	16.8
180.03923	1.3
181.18620	0.4
197.04572	21.3
198.05055	0.6
244.83824	0.6
296.06369	0.5
331.17728	0.4
347.20322	0.5
355.08340	0.5
359.07745	43.9
360.08063	2.9
371.87363	0.4
381.06021	0.6
528.82080	0.5
615.13440	1.0
751.45111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11153	0.3
59.01382	1.9
72.99317	19.7
107.05041	1.1
109.02958	3.8
117.03504	0.5
123.03622	0.4
123.04538	8.2
132.02190	1.0
133.02972	20.2
134.03703	1.3
135.04543	31.7
136.04857	0.7
151.04050	0.7
161.02461	100.0
162.02786	2.4
175.04044	0.4
179.03503	20.0
180.03806	0.4
183.04523	0.8
197.04568	26.6
198.04962	0.7
222.06883	0.4
223.02538	0.7
223.07707	0.9
224.08310	0.4
249.09227	0.5
250.06377	0.6
251.07169	0.7
265.06195	0.3
265.08658	1.8
267.07541	0.4
267.10190	2.0
268.10489	0.4
272.35556	0.4
276.07538	0.4
293.08224	3.1
295.06009	1.1
300.02747	0.4
309.07684	0.9
311.09244	1.3
319.06131	0.6
321.40665	0.4
327.08722	0.7
329.10251	0.5
337.07053	1.8
355.08136	1.3
359.07755	42.7
360.08075	1.9
381.06140	3.5
399.07034	0.5
463.09045	0.4
517.11536	1.0
535.12616	0.4
579.11542	4.9
580.12085	0.7
786.89752	0.3
791.90204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70507	0.4
54.92054	0.4
59.01390	3.5
59.70229	0.4
59.94382	0.3
69.38289	2.0
71.01421	0.4
72.99316	18.4
107.05039	0.8
109.02953	2.3
123.04543	8.7
132.02151	0.6
133.02966	21.7
134.03754	1.2
135.04541	27.6
136.04871	1.0
151.03967	0.8
157.60175	0.4
161.02460	100.0
162.02771	3.6
179.03505	16.7
180.03935	0.8
183.04498	0.5
197.04573	24.1
198.04919	1.0
223.02449	1.0
251.07196	0.8
265.08673	0.9
267.10291	1.0
284.82422	0.4
291.54282	0.5
293.08279	1.7
295.06149	0.5
311.09262	0.7
327.45892	0.4
337.07263	1.2
359.07758	41.8
360.08087	3.4
381.06262	1.7
399.07321	1.5
553.12939	0.5
579.11511	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	777.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.7
59.24522	0.4
68.55844	0.3
71.01382	0.5
71.43056	0.4
72.99316	16.2
78.30811	0.3
81.03451	0.4
90.67721	0.3
91.05521	0.4
96.96025	0.7
107.05041	0.6
109.02957	2.4
121.03011	0.4
123.04543	7.1
132.02177	1.4
133.02968	21.4
134.03751	0.9
135.04535	18.6
136.04866	0.5
151.04047	0.7
159.04611	0.4
161.02463	100.0
162.02823	2.7
179.03517	15.7
179.05115	0.8
180.03862	0.6
185.02448	1.4
197.04576	21.4
198.04945	0.9
277.05084	0.7
279.03043	0.7
295.06125	1.7
321.04044	2.9
331.17563	0.4
339.05103	2.1
357.06097	0.7
358.06570	0.7
359.07742	39.7
360.08035	1.9
410.04538	0.4
423.15561	0.4
503.10129	0.7
519.09082	0.8
536.54651	0.3
592.35944	0.4
594.87610	0.4
766.95807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	8.6
64.45599	5.8
70.97480	8.5
87.32694	6.9
104.26299	6.6
135.04536	9.2
140.58806	6.4
201.11366	61.7
202.11826	6.3
203.89265	6.6
209.11855	93.8
227.12920	17.7
235.08391	10.9
253.09341	19.6
277.21762	100.0
278.22119	10.3
437.19928	8.5
445.20859	12.0
471.34521	8.3
501.85876	6.4
532.71704	6.6
537.28070	7.0
635.73572	6.7
683.12695	7.3
717.65161	7.9
726.64270	6.8
777.41821	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	778.44
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.8
59.42339	2.0
61.98841	3.4
62.39901	2.1
68.96232	2.2
71.01379	4.5
71.42686	3.4
72.97232	2.1
81.36009	2.2
89.02460	2.8
179.14427	2.8
187.99591	2.1
195.13937	11.1
205.12350	8.1
223.13399	100.0
224.13759	4.1
235.08374	3.3
253.09314	15.9
275.20050	4.0
293.21262	88.1
294.21552	3.3
459.22421	11.6
735.43658	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	779.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
72.99315	17.5
77.02829	0.3
93.03503	0.5
95.05047	0.5
105.71452	0.4
106.55341	0.4
107.05043	0.6
109.02974	2.1
110.22686	0.3
121.02988	2.5
122.03779	0.7
123.04539	6.5
123.05380	0.5
124.01685	1.0
124.04832	0.4
132.02202	1.3
133.02974	20.2
134.03682	1.5
135.04538	37.8
136.04875	1.8
137.02469	1.2
137.05072	0.4
138.03236	2.1
139.04024	1.3
148.01659	0.5
149.02448	3.0
150.03235	0.5
151.03995	1.2
153.05569	0.7
159.04536	0.6
161.02460	100.0
162.02797	5.6
163.02859	0.5
163.04184	0.5
166.02742	2.9
175.04071	0.7
179.03514	42.4
180.03873	1.6
181.05115	5.4
197.04570	18.6
198.04921	1.4
199.05164	0.4
203.03505	2.9
225.04042	2.0
247.02530	0.6
287.43484	0.4
293.08228	0.4
299.09299	1.7
343.08264	6.7
344.08621	0.4
357.08398	0.3
359.07748	27.6
360.08087	2.8
361.08237	0.7
382.05981	0.4
383.06879	0.3
387.07266	0.7
490.40738	0.3
581.12244	0.7
753.44373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	80.3
69.03467	2.0
71.01391	23.4
72.99322	3.5
73.02954	77.6
81.03464	0.9
81.65466	0.8
82.17927	0.8
83.01396	17.1
85.02953	5.1
85.03411	0.7
89.02457	4.6
95.49989	0.8
96.96059	1.3
97.02959	1.6
98.21906	2.7
99.00842	1.1
101.02458	50.1
109.02985	2.7
113.02475	8.1
116.12904	1.0
119.03500	2.2
125.02461	1.7
130.87758	0.9
131.03539	3.0
135.04532	2.6
143.03473	4.0
149.04597	3.3
155.03468	1.2
159.04608	1.1
161.04579	11.2
179.03467	1.4
182.18890	0.8
185.02499	2.1
186.02943	1.0
191.43248	0.8
196.08961	3.4
197.04570	1.7
203.05539	0.9
207.11781	1.9
209.13387	6.6
222.06938	5.6
222.10428	0.8
223.07704	6.4
224.08417	7.1
225.12863	3.9
227.66229	0.9
236.08397	1.5
237.09196	6.2
238.09923	2.2
249.09212	1.6
251.10802	47.8
252.11333	4.8
253.12364	64.6
254.12631	3.3
263.10788	17.7
264.11514	3.6
265.12360	28.6
266.12680	2.0
279.02957	0.9
279.10336	1.8
281.11868	97.1
282.12570	32.4
283.13422	100.0
284.13766	4.3
295.06116	1.8
321.04080	5.9
322.04596	1.2
339.05188	1.8
427.17703	2.6
469.18726	2.8
487.19598	5.3
529.20776	1.3
631.23901	2.2
649.25122	9.3
691.26141	89.1
692.26434	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	779.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.5
59.01386	100.0
60.01711	0.8
71.01384	5.9
73.02956	2.8
83.01411	1.6
85.02951	3.2
89.02464	0.5
95.01418	0.7
98.15984	0.4
98.22691	0.9
99.00889	1.3
101.02450	7.2
112.98848	0.6
113.02464	3.5
133.02985	0.7
135.04555	1.9
138.08025	0.4
159.02980	0.6
161.02467	1.5
161.04565	3.9
291.18213	5.8
315.18204	6.5
333.19281	2.9
357.19223	7.1
358.19754	0.6
372.46036	0.5
411.72107	0.5
502.08475	0.5
789.94562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16085	0.7
59.01386	100.0
61.98835	1.9
70.64626	1.4
73.43327	0.8
75.00884	1.5
75.40479	0.8
80.23136	0.8
102.52580	0.7
102.95720	2.7
103.00388	2.9
103.01507	68.8
107.88612	0.8
135.04539	3.0
161.02431	0.9
179.03452	1.7
246.38240	1.0
286.56482	1.1
384.19556	1.0
779.07056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01719	0.5
66.09048	0.4
66.31886	0.3
74.08312	0.3
75.00894	1.1
94.92574	0.4
102.12526	0.4
102.95715	1.5
103.00389	3.8
103.01510	66.6
123.95190	0.3
132.73975	0.3
135.69395	0.4
161.02383	0.6
162.33272	0.4
188.21840	0.4
228.58638	0.3
365.97095	0.4
654.89685	0.4
785.99939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84551	1.4
59.01388	100.0
60.01690	1.7
61.98836	3.2
69.74797	3.3
69.75149	3.5
71.01386	6.4
72.63606	1.5
73.02951	3.6
83.01427	3.8
85.02940	2.1
87.10422	1.5
89.02457	2.5
101.02456	10.1
113.02455	4.6
125.02512	2.0
154.60059	1.6
167.84311	1.5
172.04578	1.4
179.03513	1.9
196.29170	1.7
216.06248	1.6
242.15977	1.9
441.30176	1.8
473.32733	4.1
515.33820	1.8
599.36029	2.2
617.37024	5.6
635.37988	9.5
659.37915	13.7
677.38995	19.3
678.39282	4.0
719.40106	6.5
720.65088	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	779.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28210	0.7
68.30771	0.7
97.84248	0.6
156.23666	0.7
200.67654	0.7
223.02893	3.3
259.10223	0.7
281.00735	0.7
291.09207	7.6
307.12381	4.3
329.72540	0.8
394.40909	0.8
471.34827	100.0
472.35104	9.6
527.17163	0.7
565.58368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.7
65.73630	0.4
66.79358	0.4
67.49370	0.5
70.92385	1.0
71.05024	1.3
83.04993	0.5
119.74823	0.6
121.10224	1.6
135.04553	0.5
147.94394	0.5
154.83200	0.4
171.10309	1.9
220.14647	0.5
231.21060	0.6
275.20221	6.3
293.21222	13.5
294.21588	0.8
318.75244	0.5
393.31467	0.6
423.32645	1.2
425.30710	1.6
437.30695	1.1
441.33533	0.8
467.31729	14.4
468.32425	0.7
485.32776	100.0
486.33200	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	781.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	50.2
71.01388	13.7
71.95286	1.2
72.99321	3.0
73.02955	17.5
83.01400	4.5
85.02953	6.2
86.00106	1.4
87.00894	4.0
89.02461	7.4
92.87404	1.3
95.48594	1.3
96.96001	4.0
98.21797	2.9
99.00917	2.0
100.82821	1.4
101.02454	25.8
109.02965	5.4
111.23158	1.3
113.01977	1.0
113.02480	10.3
119.03506	5.9
125.02412	2.5
131.03500	5.5
132.89827	1.4
133.03004	2.3
135.04526	5.7
143.03543	3.4
149.04561	6.2
155.03589	1.6
159.74510	1.3
161.02434	4.1
161.04564	16.1
166.58931	1.4
173.27861	1.3
179.03546	2.0
179.05675	3.4
185.02400	2.5
197.04535	3.1
199.49280	1.5
203.05646	8.7
221.06676	28.6
229.16019	4.3
229.41948	1.7
249.05418	1.3
257.19122	43.8
258.19403	3.5
263.07739	28.7
267.06500	1.8
277.05011	1.8
279.02963	2.3
285.18634	100.0
286.18912	5.9
287.20233	2.0
293.04382	1.5
295.06033	4.1
305.08817	28.5
309.18494	2.3
321.04016	10.3
322.04520	2.2
323.09857	1.6
339.05054	5.4
563.36957	1.4
574.49896	1.5
633.29236	3.0
651.30170	10.7
693.31122	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	781.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
56.38042	0.5
57.03453	0.4
58.46277	0.5
59.01385	31.3
69.03458	1.0
69.19265	2.9
71.01386	10.7
72.81724	0.6
73.02953	7.5
83.01394	2.7
85.02957	5.4
87.00868	1.0
89.02455	2.0
95.01372	1.2
97.02969	1.5
99.00880	1.4
101.02459	8.1
108.72806	0.5
113.02462	9.3
119.03568	0.6
125.02476	3.1
126.57540	0.5
126.83323	0.5
133.01834	0.6
143.03503	2.2
161.04581	3.9
203.05713	0.8
221.06644	0.6
285.22263	100.0
286.22552	3.8
321.04208	0.7
408.49268	0.5
489.28641	1.4
591.31818	6.0
609.32831	3.4
633.33026	3.5
651.33948	22.6
651.44867	1.2
652.34302	1.9
693.34802	14.9
694.35150	1.2
737.59772	0.6
756.94189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01391	47.1
72.99343	4.7
82.15089	2.8
85.02966	14.1
85.99828	3.1
89.02451	34.7
95.01411	5.7
96.96043	5.8
98.22701	6.1
99.04548	12.7
101.02460	18.7
109.02953	6.0
113.02460	16.1
119.03519	10.7
123.04515	3.8
133.02957	4.9
134.11258	2.9
135.04547	17.9
137.09753	4.4
143.03471	3.4
157.02383	6.5
157.06665	2.8
161.02470	15.7
161.04523	4.5
161.09796	4.5
161.13380	24.0
164.55365	2.6
179.03485	8.0
179.05594	8.5
180.87740	3.2
185.13336	4.7
187.11296	61.2
197.04559	6.9
205.12320	33.9
206.12576	3.3
229.12332	10.1
231.10384	4.7
247.13359	6.9
249.11353	46.0
280.47583	2.9
291.12509	12.7
306.61633	3.0
321.04059	5.2
321.13644	5.3
351.14493	30.0
411.16574	36.2
413.53360	3.5
429.17661	14.1
487.34296	3.6
496.29868	3.6
531.20990	9.9
532.23706	3.1
591.22162	14.8
601.30298	39.3
635.61664	3.2
781.36627	44.3
782.36877	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	781.4392
Annotation	cimifoetiside A
Peak:m/z	Relative Intensity
55.01927	0.3
57.03488	0.4
58.00637	0.3
58.35298	0.1
59.01120	0.8
59.01446	10.3
60.08000	0.1
62.10671	0.1
69.34280	0.8
71.01462	4.9
72.99023	0.2
72.99384	0.6
73.03033	0.6
78.90379	0.2
80.77308	0.1
83.01398	1.1
85.02959	1.8
89.02457	4.1
93.03554	0.2
99.00900	0.9
99.42540	0.2
101.02460	6.4
113.02457	2.5
114.02823	0.2
116.92928	0.3
119.03504	1.8
123.04678	0.2
125.02544	0.3
128.70377	0.1
129.02007	0.3
131.03519	5.8
133.02992	0.7
135.04553	0.9
137.02576	0.3
143.03587	0.3
149.04550	1.2
149.05688	0.1
157.02496	0.5
161.02492	1.4
161.04681	0.7
161.13475	0.4
164.19730	0.1
177.02000	0.3
179.03651	0.4
179.05841	0.2
187.11313	1.2
191.05624	2.9
197.04639	0.3
205.12488	0.7
229.12531	0.3
247.36960	0.2
248.17464	0.1
249.11356	0.9
256.03531	0.2
291.12540	0.2
351.14603	0.6
379.30209	0.5
391.30286	0.5
393.31726	0.3
409.31265	1.3
411.16638	0.6
421.31055	0.3
427.32446	0.2
429.17719	0.2
463.32520	0.2
469.33344	0.9
481.33105	0.2
485.32803	0.2
487.34344	100.0
488.34717	8.3
497.32718	1.9
501.35910	5.5
502.36133	0.4
509.32709	1.0
529.35382	20.8
530.35681	2.1
531.20575	0.3
559.36530	1.4
571.36926	0.2
573.34387	0.4
591.23352	0.4
601.30237	0.8
619.38293	0.4
631.38214	0.3
649.39471	0.4
661.39703	1.5
781.34235	0.3
781.44525	0.5
782.37476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86575	3.0
70.64438	5.8
71.01405	2.9
80.96547	4.1
92.11745	3.0
101.72135	3.3
105.20980	2.6
165.01843	2.7
169.09941	3.0
183.13913	4.0
208.50768	3.2
211.13405	100.0
211.15369	6.0
212.13640	3.9
235.08226	5.8
253.09302	7.3
277.21762	92.4
277.24670	6.0
278.22079	6.2
369.30850	3.4
447.22318	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	784.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.17944	0.2
116.92883	1.0
195.72646	0.1
214.78302	0.1
216.08868	0.1
366.87152	0.1
442.40997	0.1
540.80170	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	784.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.92226	0.8
116.92887	0.4
144.46510	0.3
156.51129	0.3
180.05655	0.3
235.47206	0.3
246.69273	0.3
270.17145	0.3
432.34879	0.3
454.73331	0.3
605.53381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.173
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32192	0.4
69.18338	0.7
69.18754	1.5
98.22626	0.8
108.82921	0.3
108.90205	4.4
111.23234	0.3
113.25278	0.4
120.02196	4.9
121.02972	100.0
122.03306	2.0
135.04539	0.4
165.01952	2.6
181.06570	1.8
191.03517	2.2
209.04575	58.8
210.04895	1.1
211.14174	0.4
225.05612	3.5
234.70290	0.4
246.64291	0.4
255.41760	0.5
301.08224	0.4
313.07233	4.0
357.06274	1.8
401.08789	10.1
402.09164	0.5
575.11456	0.5
706.38989	0.4
741.14124	0.4
785.17700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56839	16.2
61.98835	100.0
69.50842	18.2
69.82392	31.8
69.82744	22.7
71.30859	19.5
116.49649	16.1
135.04529	19.3
141.32921	15.1
157.62413	15.5
161.02478	87.6
177.32533	17.8
223.13399	31.2
313.07114	30.1
471.35129	19.4
491.22076	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	786.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11862	3.0
71.41019	2.9
72.99310	10.0
74.74659	2.6
81.00172	2.7
84.61556	3.0
85.56830	3.2
92.46176	3.4
109.02983	8.6
133.02945	11.1
134.03691	7.6
135.03441	5.0
135.04527	100.0
135.68364	3.0
136.04031	9.6
137.02467	6.3
148.04018	8.6
149.02464	6.3
150.61005	3.1
161.02449	25.1
173.01181	6.1
177.01970	8.6
179.03517	53.9
179.52368	3.2
185.02444	8.7
197.04510	5.0
198.01889	4.5
202.01385	6.8
207.03052	4.2
209.04410	5.0
220.03743	4.2
232.02478	20.2
261.04160	6.1
282.04019	4.8
295.05911	5.1
296.05914	8.3
297.06351	7.7
300.08942	3.5
308.05371	3.2
321.03873	17.6
323.04337	7.9
334.03503	21.2
335.04263	11.2
338.06775	3.6
339.04904	6.0
355.06943	18.7
362.08893	20.5
366.06281	8.7
367.06848	20.9
368.07394	4.9
370.09277	6.1
382.09412	38.3
398.08682	6.2
426.08002	5.2
430.07990	4.2
444.09363	82.9
445.09555	5.0
462.10376	10.4
524.12091	10.0
592.11151	6.9
606.12720	46.3
607.12689	4.6
624.13599	83.9
625.14117	5.9
655.59705	3.9
720.53149	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	786.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
71.60286	0.1
88.33347	0.1
183.46034	0.2
277.87592	0.2
583.15039	0.2
776.57611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
84.47389	0.2
98.22661	0.5
452.21286	0.1
530.75208	0.2
621.61407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.9
61.96893	0.3
69.61428	0.3
71.01385	0.8
72.99318	16.1
73.02949	2.6
83.01401	0.6
85.84772	0.3
88.98828	0.2
89.02464	0.4
93.03478	0.4
96.96011	0.9
101.02472	1.3
109.02957	0.7
109.71423	0.3
113.02454	0.8
118.45200	0.3
119.03485	0.3
122.03751	0.4
123.04543	6.8
129.51659	0.2
131.03484	0.3
132.02223	0.9
133.02975	21.4
134.03775	0.6
135.04546	17.7
136.01660	0.5
136.04831	0.5
149.04703	0.3
150.03258	2.6
151.03999	1.2
161.02464	100.0
162.02798	3.1
165.05603	2.7
166.02815	0.3
173.00427	0.3
177.01942	0.3
179.03522	15.5
180.03889	0.6
181.05109	0.4
195.06726	2.3
197.04573	22.1
198.04916	0.6
216.12773	0.3
223.02452	0.3
224.13966	0.3
332.00668	0.2
357.06415	0.3
359.07755	40.2
360.08069	1.6
387.14587	1.2
531.96545	0.3
589.19934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.7
61.98825	1.2
66.20642	1.0
69.50494	4.5
71.01387	16.3
72.99336	2.5
73.02948	7.7
83.01404	3.5
85.02969	7.6
87.00882	2.1
89.02470	7.2
94.01573	1.0
94.06634	1.7
95.01405	1.8
96.96039	1.8
98.21882	1.2
99.00900	1.1
101.02443	7.2
106.06639	6.6
107.03751	2.1
109.02963	1.2
110.29195	1.0
111.84569	1.1
113.02470	6.4
118.00375	1.1
119.03516	2.0
120.08194	3.6
122.06137	20.3
132.04559	1.7
133.02942	4.3
134.06142	45.7
135.04556	5.7
135.06462	1.5
141.68045	1.2
146.06149	1.4
148.07716	1.7
150.05626	1.2
152.07236	6.1
158.02496	3.0
160.04007	2.6
161.02434	5.3
161.04582	1.9
162.02815	1.1
177.01921	1.3
179.03461	2.4
190.05133	8.1
192.06700	2.1
197.04578	1.1
211.31763	1.0
221.10890	6.3
223.08769	2.4
225.10365	3.5
227.11934	1.2
234.08026	1.1
235.08748	1.8
236.09561	2.7
237.10345	4.2
238.10994	1.2
239.11911	4.3
247.08615	1.1
248.09444	1.7
249.06633	1.9
249.10370	7.2
251.08199	3.3
251.11867	4.0
252.09006	1.0
261.10306	2.5
262.07562	2.2
263.08234	6.7
263.11887	2.4
264.08960	6.8
265.09937	7.2
269.13016	2.3
275.08334	1.1
276.09003	3.1
277.09875	11.3
278.10602	3.2
279.11374	14.4
281.12570	1.1
289.09839	2.1
291.11435	9.0
292.12119	2.2
295.10812	1.2
296.11594	2.5
301.88583	1.2
303.11801	1.2
305.09375	16.3
309.12314	1.4
317.09164	2.2
318.15915	1.5
321.08978	1.2
321.12549	1.5
323.10434	3.3
337.11957	6.0
342.16119	6.0
360.17087	2.4
368.14038	1.4
370.15778	2.5
372.17175	4.1
384.17130	1.5
386.14893	2.9
386.19131	2.1
398.15067	1.9
412.16437	1.8
426.18253	3.3
428.16129	1.8
430.17511	1.5
452.16156	2.5
453.16425	1.3
470.17346	2.4
471.17645	1.4
472.18909	4.8
490.19897	1.2
522.22668	1.4
588.23492	1.8
592.23303	1.6
593.24237	2.7
604.23230	2.0
625.26190	2.1
632.22540	10.6
633.23016	4.2
664.25165	100.0
665.25543	12.5
713.28516	6.7
714.29657	1.7
755.29419	36.5
756.29700	3.8
787.32019	47.3
788.32312	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	787.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97092	19.2
61.98827	59.8
69.00999	22.3
71.01363	23.6
74.35851	25.9
98.21826	52.9
166.95525	24.8
207.10280	100.0
209.11867	45.3
225.11333	77.9
249.28281	23.7
260.13568	26.4
289.18109	71.1
307.19232	69.1
326.59717	26.4
411.97256	25.4
461.20752	35.1
545.17139	28.5
724.03595	27.7
733.38428	34.1
751.39288	69.9
787.37421	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90998	7.9
61.98835	100.0
69.49926	31.5
72.99315	9.7
107.44624	8.2
161.02489	15.8
167.52773	7.0
223.13516	15.8
259.94675	9.2
309.20718	18.1
440.04901	9.5
451.34320	8.9
733.44836	9.9
787.41168	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	787.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92215	0.5
66.51603	0.5
68.30126	0.5
71.27697	0.6
76.80734	0.7
78.59544	0.5
78.68919	0.6
165.09230	0.7
177.09248	1.0
179.10812	0.6
190.09996	1.2
204.11575	0.6
217.74944	0.5
223.66560	0.6
241.12428	1.5
260.09393	0.6
272.14166	0.6
285.18668	3.4
287.20135	1.0
297.18777	1.7
315.19675	100.0
316.19934	4.3
334.16354	0.5
471.34845	13.9
472.35297	1.0
585.74719	0.6
623.67218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86820	0.5
58.63985	0.4
61.98840	0.6
70.96241	0.6
70.96611	0.8
78.63621	0.5
90.87067	0.4
201.09270	1.5
214.09827	0.5
268.22736	0.5
285.18646	53.9
286.18942	2.7
315.19690	100.0
316.19937	4.7
471.34882	1.3
650.11432	0.5
751.55060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11217	1.2
69.11622	0.6
106.33237	0.3
143.67683	0.3
191.58113	0.3
228.11642	0.3
230.13133	0.7
238.93024	0.3
243.13878	0.7
256.12650	0.3
277.06067	0.3
285.18649	2.5
315.19675	100.0
316.20007	5.1
361.10883	0.3
471.34845	17.3
472.35318	1.4
599.95776	0.4
659.71417	0.3
817.13287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39251	0.9
58.27826	0.8
60.99316	22.1
66.28100	0.9
69.16043	5.9
72.99316	3.0
80.33951	0.9
88.98817	100.0
93.41279	0.9
103.40678	0.9
109.02961	23.2
121.02905	1.0
121.88130	1.2
123.04536	3.7
133.03052	1.2
135.04530	6.2
145.02954	1.2
149.02432	1.1
151.04039	1.5
159.04579	1.5
161.02498	1.8
173.02472	1.2
179.03479	3.3
185.02444	16.1
186.03189	4.3
197.04547	3.1
211.06091	1.2
221.06096	1.5
225.05600	1.5
239.07236	1.4
249.05551	3.2
251.03511	1.9
252.04317	1.4
265.05148	1.9
267.06622	3.5
277.05029	5.5
278.05649	1.0
279.03046	7.0
280.03708	4.1
293.04617	3.8
295.06137	16.8
321.04059	21.4
322.04480	2.2
339.05115	66.6
340.05441	3.4
501.08316	3.7
519.09253	2.1
570.08820	1.0
587.44592	1.0
699.13330	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	789.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	19.7
72.99296	1.1
74.96849	0.4
88.98814	100.0
95.50566	0.5
96.96040	1.1
97.55318	0.4
109.02961	10.6
116.92905	0.6
123.04524	1.5
135.04549	3.1
147.04579	0.7
159.04547	0.8
161.02527	0.6
162.57953	0.4
173.02417	0.8
179.03485	2.1
185.02464	6.2
186.03215	1.6
197.04578	1.6
204.97859	0.5
221.06168	0.7
225.05507	0.5
249.05626	1.3
250.06470	0.5
252.03976	0.6
261.10886	0.5
265.05081	0.8
266.06015	0.6
267.06619	1.2
277.05179	2.4
279.02945	3.3
280.03796	1.5
293.04672	2.0
293.07730	0.5
295.06161	7.5
321.04080	11.5
322.04422	1.0
339.05103	30.1
340.05365	1.6
501.08234	1.2
519.09503	2.7
667.65631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.3
58.88756	0.2
59.01376	0.6
65.99937	0.3
69.52617	0.5
69.53001	0.6
72.99316	16.0
89.27009	0.3
90.21378	0.2
98.97261	0.3
105.03455	0.5
107.05094	0.4
109.02946	0.6
115.89626	0.2
117.49186	0.3
123.04545	6.4
132.02162	1.1
133.02971	20.9
134.03648	0.4
135.04539	17.1
151.04082	0.4
160.01547	0.3
161.02460	100.0
162.02824	2.6
175.00760	0.3
179.03513	14.2
180.03818	0.4
197.04573	19.9
198.04974	0.4
198.10463	0.3
205.12433	0.4
208.36099	0.3
223.02544	0.5
232.03349	0.3
249.11305	0.3
270.14252	0.3
357.06161	1.2
358.06662	0.5
359.07742	39.1
360.08069	1.7
488.81262	0.3
654.01807	0.3
776.73138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47860	0.2
57.76112	0.2
59.01366	0.7
69.14945	0.4
69.15349	1.2
71.01398	0.4
72.99315	16.3
98.21799	0.4
107.05038	0.4
109.02958	0.5
123.04536	6.8
130.76094	0.2
132.02141	1.1
133.02968	20.1
134.03693	0.9
135.04539	17.9
136.04904	0.7
151.04044	0.5
156.23653	0.2
161.02458	100.0
162.02779	2.0
177.01923	0.3
178.02307	0.2
179.03514	14.5
180.03848	0.5
196.07407	0.2
197.04564	20.9
198.04959	0.5
205.12268	0.3
219.02986	0.2
223.02530	0.5
232.03294	0.2
248.05380	0.2
249.11281	0.3
276.93222	0.2
292.39883	0.3
335.80273	0.2
339.01663	0.2
357.06198	0.9
358.06522	0.9
359.07739	40.4
360.08072	2.1
384.19238	0.2
526.66461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	45.1
63.37222	0.8
69.61111	2.7
69.61494	1.6
71.01390	8.4
71.47890	0.8
79.44263	0.8
85.02956	1.7
89.02458	8.3
98.22612	1.0
101.02460	6.1
113.02450	3.5
119.03517	3.2
121.02985	1.6
129.49306	1.0
135.04570	1.4
149.02487	1.0
151.04034	0.8
161.02452	1.5
163.04062	1.0
163.11287	2.1
165.01939	1.3
205.02859	1.2
207.10240	7.8
223.05957	1.0
252.03020	1.3
298.38751	1.1
364.68890	0.9
387.16641	100.0
388.16852	2.9
450.01413	0.9
730.80872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	59.2
68.99557	45.9
71.46040	14.6
74.03258	14.3
78.94897	14.5
91.48853	15.0
97.93692	14.2
109.06592	22.8
112.89661	44.4
112.98577	40.8
114.93429	15.8
116.92855	27.5
153.39319	14.5
161.02509	19.7
163.11327	17.4
197.11855	25.8
207.10284	85.0
209.11873	33.1
225.11275	26.8
235.08228	29.1
253.09244	28.0
291.19644	21.7
297.20181	13.6
309.17624	17.0
309.20648	100.0
320.09528	14.2
348.35245	15.4
460.37848	15.7
488.70059	15.7
569.06482	22.3
753.40472	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	53.8
67.97485	64.0
68.33870	47.2
79.95502	52.2
81.86835	50.4
206.96881	53.8
209.11832	100.0
284.43564	55.8
304.75815	53.8
563.41028	52.9
575.48383	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49104	1.3
71.41483	1.2
71.41883	1.3
72.99312	36.1
80.21456	1.3
91.05547	6.2
93.03421	1.5
103.95246	1.3
104.95972	1.4
107.05023	3.4
108.02148	3.1
109.02229	2.6
109.02968	51.8
109.03704	2.9
110.03327	1.3
119.05046	5.5
121.02984	2.9
122.03758	1.4
123.04522	3.7
134.03748	1.6
135.04543	26.4
137.06084	11.5
145.02847	1.6
147.04568	12.1
149.02512	1.7
157.02998	2.2
158.03766	1.5
159.04530	5.3
163.04037	5.3
165.04280	2.6
165.05582	24.1
173.02455	4.8
179.03506	12.6
185.02457	33.1
186.03210	6.5
191.03520	5.3
193.06538	1.7
197.04535	10.3
197.06088	1.9
209.04501	7.1
220.05225	2.2
221.06007	4.3
225.05695	2.4
237.05663	2.7
239.07120	1.7
244.07216	1.4
247.03828	1.5
248.04787	3.1
249.05574	9.0
250.06128	1.9
251.03479	5.1
252.04298	2.8
253.03558	5.3
265.05133	9.3
266.05701	2.2
267.06699	7.3
268.99789	1.5
269.08127	1.9
271.04614	71.2
272.04956	2.3
277.05164	13.0
278.05576	1.8
279.03070	16.6
280.03583	4.9
293.04575	12.4
294.05316	1.7
295.06168	35.9
296.06485	3.4
303.03012	1.8
321.04071	100.0
322.04538	11.7
339.05109	28.0
340.05301	2.9
432.15881	1.7
493.11542	5.2
505.11600	4.3
519.09399	63.4
520.09717	6.0
521.09863	1.8
531.09613	3.2
537.10211	3.3
717.65997	1.4
791.15222	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	791.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
57.88271	0.9
59.01385	100.0
69.03460	1.5
71.01385	21.3
72.99316	9.9
73.02953	52.0
74.03313	0.9
83.01398	10.6
85.02962	4.8
89.02462	8.8
98.21786	1.2
101.02455	36.1
107.05058	1.2
113.02456	13.6
119.03516	4.6
123.04536	3.4
125.02455	1.7
131.03517	3.1
132.02194	1.3
133.03027	1.6
134.03784	3.3
135.04538	34.2
136.04893	2.1
143.03549	3.1
149.04562	5.4
150.03294	1.1
152.44928	1.0
160.01669	10.3
161.02531	6.7
161.04559	15.0
163.00314	0.9
175.04012	15.3
179.03508	11.2
179.05693	1.1
197.04567	9.8
197.25903	0.9
203.05609	1.4
204.11874	0.9
221.06776	5.2
313.16681	1.4
331.17578	2.8
359.07733	1.3
361.16980	1.0
373.09476	7.0
373.18738	4.7
457.43048	0.9
466.55286	1.0
520.98157	1.0
548.32294	0.9
608.73077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	18.1
93.60050	9.8
116.92865	11.1
135.04485	13.1
161.02390	13.9
174.97012	12.7
188.36214	12.6
197.11841	15.7
209.11893	100.0
227.12910	26.5
258.41098	12.2
276.05667	11.0
309.20764	47.1
323.23398	12.1
354.38904	14.0
377.28296	10.7
791.39874	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03285	12.2
61.73430	9.4
61.98811	37.5
70.71494	16.9
116.92859	37.7
135.04518	16.4
161.02502	15.7
197.11880	35.7
209.11847	100.0
211.13556	13.6
227.12869	29.9
253.09225	29.4
291.19839	18.0
309.20724	81.8
458.29230	12.2
487.34314	15.5
791.40753	35.7
800.14624	11.5
810.17761	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	791.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58939	40.2
61.98828	47.0
66.76348	29.1
69.22474	86.6
69.22882	100.0
82.01021	34.7
106.51514	31.9
117.40267	29.0
135.04550	44.1
140.83856	30.0
157.09435	32.8
161.02490	86.8
186.03136	28.8
211.13512	43.2
267.62979	31.1
286.94696	30.0
293.21423	60.4
297.15244	40.9
342.24777	29.4
791.44025	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	20.9
62.77883	16.8
71.17774	25.0
77.75921	17.0
93.04649	17.5
108.39954	17.7
109.49796	19.8
145.28551	17.6
153.62611	21.0
161.26631	18.5
173.83994	17.0
209.11877	100.0
242.18457	18.6
277.21753	72.3
341.68591	19.2
477.54758	20.0
499.20352	19.5
810.76373	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	792.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94578	1.1
61.98828	3.2
69.18900	6.9
71.05036	1.3
71.93533	1.1
72.63623	1.3
79.84772	1.0
81.64570	1.1
83.53741	1.0
98.22669	2.5
100.41803	1.1
115.05986	1.2
135.04514	1.4
184.41672	1.4
190.59416	1.1
209.11824	5.0
211.13359	1.1
397.64868	1.2
456.24774	1.3
467.31491	2.1
469.33136	8.8
487.34348	100.0
488.34671	11.0
792.39905	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	793.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.53990	0.2
70.26707	0.2
73.02957	0.7
75.00868	1.0
75.30882	0.2
98.22709	0.3
99.00872	0.3
99.92595	10.9
100.92630	0.3
101.21566	0.2
114.93424	0.7
116.92876	100.0
116.97265	7.0
117.01955	1.6
117.92888	2.6
143.50356	0.1
315.38910	0.2
335.17523	0.6
338.48868	0.2
591.81049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
61.98835	0.2
63.79858	0.1
73.02959	1.1
75.00877	1.3
97.83007	0.1
98.22643	0.4
99.00892	1.0
99.92598	12.0
100.92606	0.3
100.93243	0.2
101.06437	0.1
102.24087	0.1
111.09499	0.1
114.93431	0.4
116.92876	100.0
116.97258	5.6
117.01950	2.2
117.92885	3.2
154.87029	0.1
155.13493	0.1
204.05571	0.1
228.78793	0.2
335.17612	0.5
397.13742	0.2
426.13315	0.1
544.17926	0.1
651.31097	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	795.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12542	0.1
59.01363	0.2
72.99313	0.3
76.75352	0.1
79.95744	3.9
94.98093	0.1
96.96021	100.0
97.95976	0.2
116.89547	0.1
133.02991	0.3
134.03755	0.2
135.04546	2.4
136.04863	0.2
143.83794	0.1
149.02414	0.2
150.03250	0.2
160.01665	0.1
161.02496	1.4
165.05574	0.1
178.02707	0.1
179.03531	1.1
191.00319	0.1
197.04611	0.3
234.99324	0.6
277.00180	0.3
353.03409	0.2
359.07660	0.6
359.99951	0.1
379.03186	0.2
397.02695	0.2
470.83951	0.1
517.13721	0.1
540.77832	0.1
555.08185	0.4
697.17621	0.4
735.12408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
63.83624	0.7
65.21389	0.8
71.01392	1.6
72.99314	11.1
79.95746	0.9
85.02969	1.1
93.03465	30.0
94.03802	1.4
96.96020	26.0
98.00119	2.7
100.82861	0.8
105.03498	0.7
108.02181	28.3
109.02971	15.2
121.02996	0.8
123.04552	5.5
128.03555	2.1
128.90207	1.8
131.44247	0.8
132.54874	0.8
133.02969	14.9
134.03720	1.8
135.04538	19.9
135.05510	1.3
136.04897	1.8
137.02458	57.9
138.02802	1.1
146.03777	3.7
147.04520	3.5
151.04036	1.6
152.01170	46.8
153.01961	18.3
161.02460	69.2
162.02792	2.5
163.03984	1.0
165.01985	1.1
174.03314	1.1
175.04034	2.7
179.03523	13.3
193.05061	1.0
197.04565	14.4
218.02225	4.5
219.02998	11.7
229.01443	1.3
233.04573	1.6
239.86778	1.0
265.07303	0.9
266.05820	3.2
281.08023	1.2
283.09909	1.1
294.05411	1.9
297.06143	8.9
309.07703	3.2
315.07214	12.3
316.38007	0.9
334.24884	0.9
353.06668	11.6
359.07733	25.0
360.08047	1.6
367.08221	2.0
385.09308	5.4
395.08072	1.1
435.09357	100.0
436.09769	7.5
489.12137	2.0
533.10895	3.1
539.14801	0.8
565.13342	3.6
636.81531	0.9
742.61481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	70.0
69.03465	1.6
71.01394	18.9
72.99338	2.6
73.02956	65.2
74.03308	0.8
81.03507	0.8
83.01400	16.1
85.02950	4.5
87.00906	0.8
89.02470	4.5
96.96009	1.1
97.02990	1.5
99.00902	0.8
101.02461	38.2
109.02968	3.5
113.02481	6.9
119.03537	2.7
123.04555	1.4
127.54417	0.7
131.03584	2.5
133.03015	2.0
135.04541	4.3
141.33371	0.7
143.03552	3.5
149.04539	3.5
161.02496	4.8
161.04556	8.7
179.03551	1.7
185.02489	1.3
186.02972	0.7
197.04681	2.1
202.29326	0.7
203.05591	1.2
212.12077	3.7
221.06631	1.7
225.16579	3.9
239.10757	1.0
240.11594	14.4
241.16003	4.4
253.12402	6.8
255.14107	1.0
265.12320	4.6
266.12955	0.8
267.13940	4.4
268.14667	5.6
269.15494	47.9
270.15854	2.9
271.09857	2.0
276.07828	0.9
277.05655	0.7
277.08759	3.5
280.14734	7.7
281.15512	28.5
282.15805	1.6
283.13406	3.8
293.04691	2.0
294.05353	0.8
295.06149	2.1
297.15121	2.8
298.15799	54.5
299.16556	91.1
300.17007	4.8
303.02554	0.7
319.02441	1.0
321.04086	5.5
322.04630	1.3
339.05145	2.5
359.07782	1.2
443.20917	1.9
485.21616	1.0
503.22971	4.1
545.24426	1.2
584.18091	0.8
625.19116	1.6
647.27271	1.5
653.43018	0.7
665.28552	6.7
677.28534	0.8
707.29285	100.0
708.29675	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	795.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.3
67.56170	0.2
69.03460	0.4
70.55311	0.4
71.01395	1.3
75.00881	1.2
76.71122	0.2
83.01396	0.3
85.02957	0.6
87.00887	2.0
96.53851	0.3
99.00944	0.3
101.02443	0.4
105.03474	0.4
109.02913	1.2
113.02482	1.3
123.04547	3.1
125.02435	0.4
127.00366	0.4
132.02180	1.1
133.02974	23.9
134.03304	0.4
135.04518	0.3
141.01953	0.8
142.91206	0.2
143.03514	0.3
150.03218	0.9
151.04044	4.5
159.04536	0.8
161.02464	100.0
162.02783	2.9
162.88452	0.2
163.04048	0.4
201.04030	1.5
203.03598	0.4
203.05606	0.7
217.12332	0.6
233.15465	3.8
269.08200	2.0
313.07217	26.6
314.07568	1.3
489.77756	0.3
640.13324	0.3
750.39752	0.3
750.54761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.1
65.31117	0.1
72.99321	0.2
77.73715	0.2
78.95908	0.2
79.95744	4.2
84.42271	0.1
85.26586	0.1
96.13591	0.1
96.96023	100.0
97.95932	0.2
97.96472	0.2
98.95606	0.3
98.96454	0.2
109.02962	1.1
126.90511	0.2
135.04552	0.5
140.45731	0.1
174.82962	0.2
179.03542	0.4
185.02420	0.8
186.03276	0.2
197.04575	0.2
233.87067	0.1
249.05794	0.1
251.03523	0.2
265.05121	0.2
277.05011	0.3
277.20410	0.1
279.03052	0.6
281.04196	0.1
293.04691	0.3
295.06137	0.8
301.21744	0.2
321.04044	1.0
322.04279	0.2
339.05112	1.8
340.05536	0.3
515.03021	0.2
519.09229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37683	0.3
69.38085	0.4
69.92403	0.1
72.99308	0.3
73.84913	0.1
78.95918	0.2
79.95746	3.8
82.09959	0.1
89.46037	0.1
94.98106	0.1
96.96025	100.0
97.95960	0.3
98.95609	0.5
104.08690	0.1
109.02966	1.4
113.58761	0.1
123.04537	0.2
133.02922	0.1
134.82942	0.1
135.04570	0.3
139.94273	0.1
151.03999	0.1
157.03040	0.1
161.02446	0.2
173.02417	0.2
176.04785	0.1
179.03537	0.4
185.02455	1.1
186.03230	0.3
247.82909	0.1
249.05586	0.3
277.05063	0.4
279.03119	0.7
280.03778	0.3
293.04648	0.5
294.05206	0.2
295.06116	1.0
307.77081	0.1
319.02759	0.2
321.04102	1.1
333.00842	0.3
334.98639	0.2
339.01288	0.2
339.05124	2.9
340.05768	0.2
351.01901	0.2
364.99786	0.2
375.97165	0.2
415.03632	0.3
426.00742	0.1
448.73773	0.1
501.08673	0.2
513.05206	0.2
515.02972	0.7
557.03772	0.2
566.49390	0.1
737.08331	0.4
797.10394	0.1
801.53796	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21386	0.7
59.01385	1.7
65.00333	1.2
65.20086	0.7
68.02458	0.8
68.99838	1.6
69.39052	1.9
69.39465	2.7
72.99315	7.2
79.21700	0.8
82.47173	0.7
84.99316	5.9
87.00896	5.6
93.03463	2.5
111.00913	1.3
112.98827	100.0
113.09773	1.9
113.99141	1.0
117.03488	2.8
119.05042	85.8
120.05357	1.8
121.02953	2.0
123.04544	1.4
128.00467	0.7
130.99902	1.0
133.02951	1.8
134.93388	1.0
135.04543	2.3
143.04961	1.1
143.10796	1.8
145.02966	16.6
145.32834	0.8
147.04538	12.3
149.06094	1.8
158.56660	0.7
159.10286	17.2
160.10661	1.1
161.02490	6.1
161.06108	4.0
163.04030	87.6
164.04376	1.8
164.08011	0.8
164.30972	0.8
171.04564	1.7
173.11835	4.9
175.04016	7.8
177.05528	1.6
179.03481	1.5
183.10329	4.1
187.04054	1.2
189.05597	2.4
197.04611	0.7
201.11353	4.5
203.03525	30.1
204.03773	1.6
205.05128	2.8
215.00279	1.6
215.03482	6.6
225.03711	0.8
229.10843	1.6
233.04568	2.5
255.03017	1.1
255.08742	3.6
259.02533	2.4
273.09921	1.6
277.03568	75.2
278.03879	3.8
283.02448	3.3
284.03232	2.2
285.04169	4.1
358.28235	0.8
359.07550	2.3
437.14462	3.4
489.10486	4.0
593.13257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43507	0.7
57.03458	1.8
59.01387	100.0
60.01713	0.9
65.07859	0.7
69.03455	3.6
69.24880	2.0
69.25289	2.4
71.01391	40.5
72.99305	1.9
73.02956	25.8
75.00887	0.9
81.03470	4.2
83.01392	9.1
83.05063	1.5
85.02962	18.8
87.00884	7.5
89.02463	10.4
89.44453	0.7
93.03498	2.3
94.63832	0.9
95.01419	4.4
95.09525	0.7
96.96025	5.1
97.02979	4.8
98.22624	1.3
98.95596	1.1
99.00919	3.5
99.04559	1.6
101.02450	16.4
101.03091	0.9
103.04061	1.6
107.01433	0.7
108.02216	2.0
109.02990	7.1
111.00900	1.1
113.02462	25.0
117.71880	0.8
119.03548	3.0
119.05064	0.8
121.02967	4.2
122.03757	10.4
123.04567	2.1
125.02469	10.0
125.73381	0.7
127.04053	5.1
131.03540	1.4
131.89421	0.8
133.02998	1.6
134.03796	3.5
135.04529	5.3
136.01715	1.1
137.02495	1.0
141.02008	1.5
143.03543	6.2
145.05164	2.0
147.04529	1.1
149.02470	24.2
149.03606	1.5
149.06122	2.7
150.03249	51.8
151.03897	2.1
155.03539	8.3
161.02460	3.7
161.04536	5.0
162.03351	1.2
163.04041	1.5
163.06209	2.2
164.04837	5.2
165.05588	34.0
170.19592	0.9
177.05582	0.8
179.03564	1.9
179.05655	0.9
180.04367	2.8
190.83185	0.8
195.06641	10.6
197.04671	1.6
203.05650	17.5
210.86073	0.7
237.07907	1.2
282.09012	5.2
282.48840	0.9
291.50253	0.9
297.11337	12.8
311.11395	1.2
315.12650	1.3
321.04193	1.1
329.12936	1.7
336.45697	0.8
339.05344	0.8
371.13654	3.7
447.64319	0.9
456.61453	0.8
459.16974	3.3
475.18195	1.9
477.17963	2.6
499.18481	1.4
501.18118	2.3
507.18781	0.9
517.12701	0.8
517.19049	4.4
519.18713	22.5
519.25830	1.5
520.19446	2.2
531.19037	1.1
549.20221	2.7
559.20654	3.3
561.20386	2.0
567.20874	10.1
609.22156	1.1
611.21753	1.9
629.22925	1.5
647.23462	5.7
648.24500	0.8
665.24658	17.7
666.25653	2.0
677.24823	3.4
695.26715	1.6
707.25665	20.6
708.26263	1.0
713.27496	1.4
737.27130	1.4
749.27423	1.8
755.27380	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.1
58.91920	0.1
59.01387	15.2
60.01707	0.1
69.25703	0.1
69.57636	0.4
71.01390	1.0
73.02964	0.6
75.00883	0.1
83.01414	0.1
85.02956	0.5
87.00881	0.2
87.27566	0.1
89.02458	0.1
89.03977	0.1
93.03488	0.1
95.05028	0.2
101.02440	0.8
105.03465	0.4
108.02181	0.2
109.02956	1.0
113.02460	0.4
115.01890	0.2
122.03766	0.2
122.14359	0.1
123.04546	3.2
132.02223	1.1
133.02974	24.9
134.03293	0.7
135.04532	0.5
139.03941	0.1
143.03578	0.1
145.53964	0.1
149.02531	0.2
150.03246	0.7
151.04030	4.4
151.05246	0.2
159.04491	0.5
161.02464	100.0
162.02792	3.5
163.02863	0.2
163.04106	0.2
177.01883	0.2
179.03535	0.3
203.03467	0.2
269.08200	2.3
269.10873	0.2
290.94702	0.1
313.07220	24.7
314.07620	1.3
315.07834	0.3
359.07507	0.1
379.21295	0.2
397.22543	0.6
405.24988	0.2
439.23474	0.8
473.12585	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.8
61.98823	1.7
63.59260	1.4
71.01385	3.0
73.02942	10.0
83.01378	2.4
97.68873	1.4
101.02477	8.4
109.02915	1.8
113.02492	1.8
119.07439	1.3
125.02519	2.3
127.93877	1.5
152.08435	1.7
185.30182	1.4
203.05630	4.0
205.12337	5.1
209.15469	1.8
301.21762	100.0
302.22195	5.4
309.17035	5.6
315.23468	2.0
338.40302	1.4
405.52585	1.6
465.74997	1.9
487.34427	2.0
622.81635	1.7
669.19458	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	797.325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
59.01385	25.8
60.01736	0.2
68.99807	0.1
69.03472	0.6
71.01389	9.8
72.22906	0.1
72.99327	0.7
73.02959	5.2
76.97585	0.2
81.03488	0.3
83.01404	2.6
85.02960	4.4
87.00894	1.1
89.02451	1.5
94.38174	0.2
95.01397	0.9
96.96032	1.8
97.02978	1.3
99.00893	1.1
101.02454	7.9
109.02943	1.3
111.00907	0.4
113.02461	7.6
115.04008	0.2
119.03548	0.4
123.04546	0.3
125.02459	2.8
131.03516	0.6
133.03035	0.2
135.04541	0.9
137.02473	0.2
143.03513	2.5
151.04018	0.2
159.03033	0.4
161.02486	0.5
161.04576	2.8
179.03590	0.5
179.05559	0.3
185.02426	0.5
185.04530	0.2
186.02852	0.3
187.11331	0.3
197.04547	0.5
203.05742	0.9
221.06685	0.9
245.06697	0.3
249.05583	0.3
263.07840	0.3
265.05103	0.3
269.19125	0.7
271.16565	0.2
277.04892	0.2
279.02994	0.3
280.03723	0.3
285.18817	0.2
287.07770	0.6
293.04532	0.3
294.04938	0.2
295.06174	0.4
300.26605	0.2
301.21750	100.0
302.22101	6.3
305.08792	0.3
321.04138	2.1
322.04462	0.4
339.05142	0.6
340.05469	0.3
347.09457	0.2
401.04337	0.2
463.27063	0.3
466.47531	0.2
505.28342	0.9
519.09601	0.3
538.07239	0.2
589.30383	0.2
607.31165	4.7
607.69733	0.2
608.31750	0.5
625.32416	3.2
626.34229	0.2
649.32379	3.4
650.32922	0.5
667.33411	19.1
668.33807	2.1
709.34467	10.3
710.34827	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	797.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.0
71.01385	5.5
71.24401	1.1
72.99322	5.0
73.02942	3.7
79.95754	4.5
81.89216	1.0
83.01386	2.1
85.02956	2.6
89.02448	1.1
96.96023	100.0
101.02477	6.6
109.02962	10.0
113.02444	4.6
121.02997	1.2
123.04536	2.3
125.02459	2.5
126.90467	4.7
135.04515	6.8
143.03474	1.1
145.02950	1.0
147.58572	0.9
149.02415	1.0
151.04124	1.8
159.04456	1.2
161.02367	1.2
161.04553	2.0
168.71780	1.0
173.02563	1.0
179.03468	2.1
185.02428	5.7
186.03015	1.3
197.04536	3.4
203.05574	1.0
221.06448	1.5
247.03995	1.2
249.05530	1.3
277.05130	2.8
279.02924	3.5
280.03326	1.8
283.20691	81.8
284.21054	4.3
293.04507	2.8
294.04962	0.9
295.06033	6.9
296.06683	1.3
301.18317	1.6
301.21747	31.3
302.21976	1.4
321.04056	16.1
322.04422	3.3
339.05148	10.2
340.05606	1.2
471.07172	1.1
519.09320	2.4
607.31323	3.9
649.32233	3.9
667.33441	18.1
709.34381	9.6
710.34979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48355	1.8
57.03450	3.6
59.01386	86.6
60.01697	1.8
61.98831	5.1
69.03466	3.6
69.37035	8.1
71.01392	38.6
72.99307	4.4
73.02956	13.2
75.91144	1.9
83.01398	12.5
85.02958	21.9
87.00890	5.0
89.02468	6.4
95.01404	4.4
97.02973	8.0
98.21857	3.4
99.00897	7.4
101.02444	28.0
109.02954	3.4
112.01660	2.2
113.02464	21.1
119.03522	1.7
121.02910	1.8
125.02473	9.9
127.04002	2.4
133.02954	6.3
134.03769	2.2
135.04544	9.9
143.03548	7.5
149.02452	2.1
150.03276	2.7
161.02489	16.0
161.04562	5.9
179.03535	4.3
197.04573	3.3
202.06380	1.9
223.14409	1.9
248.73837	1.8
301.21762	100.0
302.22095	6.2
343.23093	2.4
344.69995	1.7
374.02423	1.9
379.68643	2.2
385.23859	2.4
412.75806	1.9
427.25003	3.1
445.26086	20.4
463.27188	11.0
505.28375	14.2
505.35754	2.7
589.30176	5.7
598.82166	2.3
607.31281	29.7
625.32599	15.0
649.32440	21.7
667.33453	96.8
668.33881	7.4
709.34564	18.1
710.35266	2.2
774.19916	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36152	2.9
61.41967	2.5
61.98823	2.7
66.28208	2.5
69.94673	9.0
87.43585	2.5
96.16896	2.5
111.08185	6.9
135.04457	4.1
137.45633	2.3
161.02467	3.5
169.12225	3.7
185.11339	2.9
197.11835	43.2
211.13313	6.2
218.04201	2.5
225.10579	2.8
241.26291	2.7
291.19736	12.5
296.08670	2.8
301.21750	4.5
309.20755	100.0
310.21103	7.3
469.33160	12.4
487.34387	67.4
488.34381	6.7
790.75732	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	798.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98837	100.0
62.98535	0.2
70.23650	0.4
71.01412	0.2
72.99335	0.2
73.02956	0.3
82.01272	0.1
85.92723	0.2
91.13925	0.1
96.96026	0.6
101.02479	0.3
102.59889	0.1
110.20905	0.1
110.38313	0.1
113.02459	0.2
133.03001	0.2
135.04486	0.7
160.01666	0.2
161.02458	0.5
175.03999	0.3
179.03560	0.3
197.04588	0.2
274.01813	0.1
321.04474	0.2
378.59363	0.1
417.49088	0.2
487.34341	5.0
487.40982	0.3
490.68176	0.2
529.35419	0.4
735.25787	0.2
755.04968	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	798.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01082	0.5
59.01386	13.2
61.98838	100.0
64.34077	0.2
68.99818	0.3
69.03457	0.3
71.01385	3.5
72.99320	0.6
73.02954	9.8
76.61504	0.2
81.03468	0.3
83.01396	2.5
85.02988	0.6
87.64177	0.2
96.57115	0.3
96.96072	0.3
97.02966	0.4
99.00903	0.3
99.04495	0.2
101.02460	12.7
105.01957	0.2
113.02469	1.6
119.03548	0.5
125.02451	1.5
131.03535	1.5
135.04535	0.9
143.03528	0.8
155.03502	1.0
159.85172	0.3
161.02463	0.6
161.04575	1.4
179.03612	0.4
200.49261	0.2
203.05646	3.8
238.27045	0.2
238.32239	0.2
247.60704	0.2
409.31290	0.8
410.05457	0.2
463.32477	0.3
469.33478	0.6
487.34348	66.8
488.34601	5.2
497.32941	2.3
501.35617	2.1
509.32986	0.8
529.35394	14.7
530.35693	1.4
559.36377	0.9
571.36224	0.4
573.34259	0.4
589.37714	0.9
631.38849	0.6
691.40631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.29535	0.8
69.29942	1.1
70.24155	0.4
74.34984	0.4
78.43503	0.5
104.48885	0.4
140.85098	0.4
378.29984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69040	0.4
69.07587	1.3
69.07996	2.3
74.76806	0.5
79.61552	0.5
116.92883	0.9
116.97272	0.8
168.95093	0.5
185.00754	0.5
194.07408	0.9
199.98756	0.9
206.34349	0.5
207.11809	1.6
222.06882	4.7
236.08475	3.6
251.10786	46.6
252.11134	2.3
262.09921	0.6
263.10785	19.3
264.11102	1.6
279.10205	1.1
280.11002	1.5
281.11847	100.0
282.12097	4.8
296.74539	0.6
702.26691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77746	1.4
59.01387	20.3
71.01389	7.6
72.99323	4.1
73.02971	1.5
79.95751	4.7
83.01431	1.7
85.02956	3.2
96.96021	100.0
97.02936	2.1
98.22636	2.7
98.95603	30.3
98.96424	4.2
99.92564	2.8
101.02463	5.6
109.02973	6.2
113.02459	5.0
125.02491	2.1
135.04536	4.5
151.04044	1.6
161.02478	3.2
161.04582	2.8
179.03531	5.1
185.02484	2.9
235.86823	1.5
239.07060	1.8
277.05017	2.3
293.04556	2.4
295.06061	3.9
321.04034	8.1
322.04205	2.2
339.04941	5.4
383.52438	1.6
487.34283	3.0
495.01678	2.6
507.29480	2.3
609.32813	7.5
627.34344	2.2
669.34998	9.0
691.05536	2.9
711.36005	2.4
719.05676	2.2
763.03394	8.5
764.04065	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	799.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
77.34341	0.1
79.95744	3.8
89.61662	0.1
96.96022	100.0
97.95961	0.3
98.21864	0.2
106.87167	0.1
109.02952	0.7
135.04562	0.2
153.97522	0.1
157.03110	0.1
185.02504	0.5
201.74577	0.1
247.52415	0.1
265.04950	0.1
268.78354	0.1
277.05005	0.2
279.03128	0.4
293.04535	0.2
295.06091	0.6
303.88684	0.1
321.04050	2.4
339.05191	0.5
465.34692	0.1
503.09897	3.0
519.08984	0.6
532.00439	0.1
636.61688	0.2
653.25104	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35767	0.1
61.51640	0.1
66.35266	0.1
71.41750	0.1
72.99301	0.3
78.46047	0.1
78.95922	0.2
79.95744	3.5
86.39265	0.2
96.96020	100.0
97.95975	0.2
98.95632	0.2
109.02972	1.0
110.07689	0.1
123.04526	0.2
135.04532	0.5
147.21706	0.1
147.55391	0.1
151.04028	0.1
161.02472	0.2
173.02536	0.2
179.03548	0.3
185.02451	0.6
197.04649	0.3
198.96480	0.1
221.05981	0.2
224.95930	0.1
237.05554	0.2
249.05714	0.1
251.03583	0.2
276.04272	0.2
277.04968	0.2
279.03024	0.3
280.03723	0.2
293.04636	0.6
294.05194	0.2
295.06097	0.5
321.04099	1.9
322.04272	0.5
332.48767	0.1
339.05228	0.9
353.06677	3.1
519.09357	0.8
550.25665	0.2
627.89038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	62.2
60.43443	1.7
69.03483	2.3
70.25209	4.1
71.01387	44.4
72.99297	3.9
73.02956	9.9
83.01429	3.0
85.02973	4.4
87.00889	15.2
88.04053	2.0
89.02452	53.3
97.02941	1.9
101.02454	35.7
113.02468	21.8
115.00390	16.0
119.03477	8.6
125.02468	4.9
131.03511	3.3
132.03014	3.1
133.01447	38.7
133.05080	3.8
141.00513	1.8
141.01794	2.9
143.03535	7.9
153.00482	1.8
161.04573	7.3
179.05620	26.2
199.00984	5.5
201.02644	1.9
203.05611	2.7
221.06636	12.9
296.99255	1.8
341.11035	11.9
341.14487	2.1
383.11975	47.3
384.12231	2.5
443.13898	5.3
457.05170	3.7
485.15302	4.8
503.15869	2.5
517.07422	3.6
539.13702	2.3
656.49927	1.8
665.21490	100.0
666.21796	7.8
701.19025	25.0
739.14502	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	799.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
68.32039	0.5
69.03469	1.3
69.32806	2.4
71.01389	24.1
72.99316	8.2
73.02953	67.7
74.47354	0.6
75.00867	0.8
83.01390	14.9
85.02969	4.4
85.61784	0.5
89.02466	7.2
95.01408	1.3
96.96021	10.1
97.02943	1.2
101.02453	43.4
113.02468	13.7
117.03480	6.0
119.03508	4.6
119.05083	1.7
123.04521	3.0
125.02493	1.6
127.35628	0.6
131.03510	4.8
133.02966	4.8
134.03809	1.1
135.03497	1.0
135.03743	0.5
135.04544	27.5
143.03534	4.8
145.02966	31.5
146.03250	0.8
149.04562	8.4
155.03551	1.6
161.02475	19.5
161.04541	14.0
163.04073	2.5
179.03519	10.3
181.05098	5.1
189.12866	6.2
193.32019	0.6
197.04588	12.3
203.05746	2.1
221.06638	3.6
310.00604	0.6
343.08258	12.8
344.08856	1.0
407.80396	0.6
549.57959	0.6
574.05597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01386	25.0
61.98833	1.4
63.51497	0.5
69.03458	0.8
71.01391	7.8
72.99307	3.4
73.02960	3.8
79.95732	4.7
81.95333	1.5
83.01406	2.4
84.29813	0.7
85.02952	5.9
87.00887	1.2
88.09517	0.7
89.02463	2.3
94.79591	0.6
95.01385	1.3
96.96022	100.0
97.02931	1.1
97.95980	2.8
98.95605	46.3
98.96438	7.4
99.00896	1.0
99.92586	5.4
101.02438	4.8
108.02209	0.6
109.02963	3.9
113.02459	4.7
115.92112	0.8
116.92839	1.0
123.04546	1.2
125.02467	1.5
134.03743	0.8
135.04559	4.5
137.02428	1.0
140.36411	0.6
143.03534	1.5
145.02991	2.1
149.02481	1.5
151.04034	2.0
158.03688	0.7
161.02399	0.8
161.04585	1.4
163.00439	2.9
173.02469	1.1
174.17752	0.7
175.03897	0.7
179.03552	4.0
185.02490	1.3
186.03043	1.0
197.04643	0.9
209.06134	0.7
210.51410	0.7
217.96837	0.8
219.94827	1.0
221.06273	1.3
226.02678	0.7
233.96204	1.1
235.04114	1.3
237.05551	0.9
247.04088	2.3
248.04535	1.0
248.95032	0.9
249.05580	1.0
263.03671	1.2
264.04074	0.8
265.05130	1.6
267.06680	0.8
275.03635	0.8
277.05164	1.0
279.03003	1.1
290.98456	0.6
293.04544	2.8
295.06149	1.1
319.97629	0.7
321.04022	3.0
321.99484	0.9
337.99048	1.7
339.05170	2.2
346.96533	0.9
347.97354	1.3
348.97943	1.0
349.98816	1.4
353.98352	0.8
364.97534	1.1
365.98276	1.1
374.95868	0.7
375.96701	1.1
377.98340	1.4
393.97424	0.7
399.25104	0.7
410.98349	0.9
438.02179	0.8
447.27563	1.0
452.00092	0.9
464.00262	1.3
466.01672	1.1
468.52090	0.7
479.99335	1.3
481.00192	1.0
482.01251	1.7
486.84222	0.6
488.34833	1.1
494.01514	1.1
507.29700	1.3
507.98801	0.9
539.00641	1.4
541.02295	1.7
591.32025	0.9
609.32886	6.9
627.34271	2.4
651.33942	2.3
669.35199	7.8
670.35675	0.9
689.04010	1.1
691.05615	8.4
692.05530	1.8
711.36218	1.7
719.05469	1.9
720.05182	1.0
735.04327	0.7
763.04010	11.7
763.17291	0.6
764.04132	5.2
781.05450	5.1
782.05096	0.9
799.06256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01384	100.0
62.84755	0.9
63.05093	0.9
65.54064	1.0
67.53365	1.0
69.23212	6.2
71.01022	1.7
71.01389	22.0
72.99309	2.7
73.02936	2.1
76.08493	1.0
83.01380	1.7
85.02962	5.5
88.53137	1.0
89.02457	19.5
95.01417	1.1
96.96018	3.6
98.21845	2.1
98.95622	1.2
101.02451	13.7
109.02961	1.9
113.02444	6.1
119.03513	8.1
119.93912	0.9
133.02936	2.0
135.04541	3.9
145.10324	1.3
150.39075	1.1
159.46785	1.0
161.02480	6.4
161.09590	0.9
161.13362	3.4
163.11276	7.4
164.04730	1.2
165.25816	1.2
177.01961	1.1
179.03458	2.0
179.43120	1.0
187.11278	6.2
197.04521	2.5
205.12282	2.7
207.10278	16.3
241.73631	1.0
251.63939	1.0
329.28189	0.9
359.07483	2.0
387.16635	70.3
388.16974	3.2
575.28577	29.2
576.29108	2.0
619.27582	28.7
620.27979	2.6
799.34033	48.4
800.34235	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	799.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
58.00600	2.0
59.01384	83.2
60.01685	0.9
69.57447	2.0
69.57845	3.6
71.01387	45.5
72.99312	6.3
73.02955	9.2
78.95923	1.1
79.05524	1.1
83.01405	5.4
85.02956	17.7
87.00895	1.4
89.02457	22.5
95.01389	3.2
95.05043	3.7
96.96015	5.4
97.02941	1.1
99.00893	4.4
99.04545	2.5
101.02452	25.9
101.03109	1.7
107.05022	2.3
109.02975	2.3
113.02460	17.6
116.92866	1.2
119.03524	5.7
120.05810	1.3
122.67963	1.1
133.02977	2.5
134.03755	1.4
135.04533	7.1
143.03529	1.6
144.23320	1.0
149.02481	1.9
150.03253	1.9
157.06609	2.1
159.03047	1.9
159.08170	1.0
159.11798	1.4
161.02490	6.5
161.04564	8.1
161.09775	2.4
161.13362	17.0
165.05562	2.2
169.10263	2.1
172.08948	2.3
179.03551	2.9
179.05679	2.0
179.07265	1.0
180.65044	1.0
185.09727	1.3
187.11295	48.1
189.12817	2.2
189.38187	1.2
205.12363	22.9
206.12503	1.0
225.15044	1.5
229.12387	3.0
231.10277	5.5
247.13420	1.1
249.11417	6.0
359.07742	1.5
387.20258	22.8
411.16602	4.5
575.32166	7.1
619.31299	100.0
620.31732	7.9
637.28711	1.6
667.25220	1.6
799.37720	60.4
800.38104	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	800.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03501	0.8
69.87838	0.9
72.98905	1.2
72.99315	22.5
81.03471	0.9
96.96027	4.4
108.02217	1.5
109.02967	53.6
121.02914	2.1
122.02492	0.8
123.04544	2.7
133.02965	1.4
135.04532	10.0
136.04074	6.3
137.02478	1.0
138.05576	0.8
141.03494	1.4
145.02946	2.0
147.03291	2.2
147.04385	1.7
148.04065	5.0
149.02428	2.0
150.03168	1.3
150.05669	7.0
157.02950	3.8
159.04533	7.2
160.04016	0.9
161.02446	2.5
162.05585	4.0
173.02428	3.7
175.04053	1.8
175.13904	1.0
179.03520	3.4
185.02461	38.0
185.04128	2.1
186.03227	9.1
192.06667	3.1
193.06512	1.7
197.04546	2.4
200.07135	3.1
203.03529	2.6
209.06018	1.4
218.08279	3.1
220.05231	2.0
221.06076	3.1
225.05550	3.3
232.05551	1.0
236.09363	5.3
237.05560	1.4
239.07173	1.3
246.20305	1.0
247.04016	1.4
248.04750	2.7
249.05562	9.0
251.03442	3.9
252.04263	3.0
253.05113	2.0
259.04022	1.0
262.07111	0.9
264.04196	1.7
265.05084	4.8
266.05740	1.5
267.06558	4.8
269.08356	1.5
275.03534	2.4
276.04224	1.7
277.05048	11.9
278.05402	1.7
279.03058	15.2
280.03836	6.5
280.08246	10.0
293.04590	11.3
294.05298	1.8
295.06152	56.7
296.06525	1.4
303.03030	2.7
313.07230	4.2
321.04059	100.0
322.04379	2.5
339.05115	43.8
340.05435	2.2
489.08054	2.0
493.11530	7.4
519.09381	46.9
520.09528	2.3
537.09711	1.2
558.14166	1.2
558.98932	1.1
602.13190	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	800.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.29787	3.1
69.30199	1.6
74.78280	0.8
98.22599	2.0
116.92833	1.0
135.04591	1.5
161.02383	1.0
186.29561	0.9
197.04507	1.1
412.91724	1.1
578.26239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
72.99301	0.6
79.95750	3.5
81.95331	1.4
89.26093	0.3
96.96021	100.0
97.95947	2.5
97.96466	0.4
98.22801	0.5
98.95605	36.3
98.96430	6.0
99.92600	2.7
100.93370	0.8
102.06082	0.2
107.44404	0.2
109.02947	1.8
114.18585	0.2
115.92105	0.7
121.02987	0.3
135.04549	1.0
140.53606	0.3
145.02962	0.4
159.04471	0.3
161.02454	1.9
162.02884	0.3
163.04123	0.5
181.05103	0.7
185.02515	1.2
186.03076	0.3
191.95151	0.7
205.96829	0.3
217.96761	0.8
221.06039	0.4
232.05458	0.4
232.95639	0.3
233.96260	0.9
234.96965	0.3
235.97523	0.3
247.03944	0.5
261.95810	0.9
265.05185	0.3
276.04071	0.4
277.04996	0.6
279.03033	0.4
293.04697	0.4
295.06082	1.1
296.06393	0.4
321.04071	3.4
322.04404	1.8
323.04761	0.8
332.98383	0.3
333.99265	0.4
339.05185	1.2
343.08081	0.4
343.97903	0.3
347.97345	0.6
348.98059	1.0
349.98926	0.5
352.00708	0.5
375.00000	0.7
375.96417	0.4
376.97610	1.1
377.98291	0.6
378.99258	0.4
394.98273	0.5
404.00101	0.5
404.97110	0.5
406.98608	0.5
450.02045	0.6
451.03317	0.4
452.03726	0.7
467.02570	0.4
468.03299	0.6
494.01254	0.4
495.01349	0.6
497.03589	0.6
503.10031	0.5
504.10223	0.7
505.10477	0.8
511.01123	0.6
512.02258	0.5
519.09442	2.2
520.09491	1.3
521.09900	1.7
524.01764	0.3
557.01788	0.3
573.01923	0.7
601.01080	0.4
765.06354	1.6
766.05627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02148	0.5
59.01382	11.0
65.00299	0.9
68.99831	2.3
69.11785	1.1
69.12189	1.5
72.98907	0.6
72.99312	9.4
83.01379	0.7
84.99323	0.9
87.00887	11.6
87.30094	0.4
90.63042	0.4
93.03497	0.9
94.83573	0.5
101.96932	0.4
103.00401	1.8
111.00894	2.8
112.98069	0.7
112.98823	11.1
117.03461	5.7
119.05037	71.0
120.05396	1.2
121.02951	3.4
123.04514	2.2
127.00395	2.0
129.03450	2.1
130.04338	0.5
130.99881	3.0
131.05031	1.0
133.02975	3.9
133.06606	1.4
135.04532	4.3
143.05025	2.9
145.02968	28.6
147.04538	19.3
147.05420	0.3
149.00923	6.7
154.99835	0.8
158.85803	0.4
159.04599	0.7
161.01100	0.7
161.02455	12.4
161.06058	4.5
163.04019	64.7
164.04376	1.2
166.87276	0.5
171.04547	1.6
175.04019	16.5
176.04413	0.5
179.03467	2.1
183.36089	0.4
189.05579	2.9
197.04593	2.5
203.03516	56.9
204.03833	1.6
205.05107	1.8
215.03523	9.1
215.05559	0.5
219.02907	0.5
231.03011	0.5
233.04532	3.3
259.02518	3.4
277.03546	100.0
278.03882	2.4
282.56375	0.4
295.04593	51.8
296.04895	1.4
325.85724	0.5
359.07788	4.9
373.09021	0.6
552.17407	0.5
554.40338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18631	2.8
59.01134	2.8
59.01390	46.5
69.84315	8.4
69.84656	2.7
71.01389	22.8
72.99291	3.4
76.27678	3.1
76.28101	2.8
85.02946	7.2
89.02462	17.4
96.96003	3.2
101.02440	11.4
106.06637	6.8
108.21725	3.1
113.02451	6.2
119.03484	3.4
122.06070	5.1
134.06126	41.9
135.04509	9.2
140.13573	2.9
152.07201	7.9
161.02432	9.2
168.61572	3.2
179.03543	3.7
204.59532	3.6
239.11916	3.9
354.12323	5.2
368.14059	5.1
370.15555	7.8
382.11826	6.9
383.12817	5.2
394.11627	3.0
396.13596	4.3
398.15094	42.3
410.15015	12.7
488.18347	3.7
545.21790	3.3
643.43787	2.8
681.29974	3.4
697.28265	3.3
701.30560	3.2
725.28381	100.0
726.28625	8.6
757.31091	30.0
769.27252	21.5
801.30048	56.0
802.30981	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	801.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.7
57.32484	1.4
59.01386	100.0
63.49336	1.5
69.03438	1.7
71.01392	31.0
71.30217	1.3
72.99316	3.3
73.02953	15.5
80.20365	1.3
83.01400	8.5
85.02962	17.4
87.00919	3.1
89.02456	8.5
95.01388	2.9
96.96021	64.1
97.02956	2.6
98.95596	3.5
99.00904	3.4
100.12730	1.4
101.02457	30.0
109.02960	5.8
110.93255	1.5
111.00883	1.8
113.02457	17.4
119.03513	5.1
125.02473	5.7
131.03510	6.1
133.02954	2.7
135.04495	3.3
136.52397	1.6
139.22173	1.5
143.03505	6.0
159.03111	1.9
161.02457	4.3
161.04564	15.5
171.62495	1.6
179.03561	1.8
179.03949	2.0
179.05602	16.2
185.02464	3.7
187.43558	1.7
195.66634	1.5
197.04671	2.7
203.05582	13.0
221.06682	14.9
229.22456	1.8
245.06712	1.5
263.07690	15.8
280.03589	1.7
295.06125	3.6
305.08759	5.4
321.04028	6.8
339.05215	4.8
359.07599	1.7
467.30249	2.0
509.31348	2.3
519.09058	2.0
611.34076	3.4
629.35168	5.1
653.36005	3.0
671.36456	34.2
672.37305	4.2
713.37537	15.1
714.37604	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	801.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75310	1.8
59.01385	100.0
62.87718	2.4
69.12982	5.0
69.13386	7.5
71.01386	29.9
72.99294	3.2
73.02955	13.7
83.01402	9.3
85.02956	14.7
89.02463	6.9
95.01392	3.7
97.02927	2.8
98.22623	4.1
99.00925	5.2
101.02451	26.9
107.93227	2.0
109.02977	4.9
111.00902	2.5
113.02459	20.4
125.02448	8.8
135.04546	3.7
143.03535	7.6
161.02385	2.9
161.04564	9.3
179.03497	3.4
179.05702	3.7
185.02487	4.1
197.04637	2.1
199.61264	1.9
221.06682	3.5
250.88596	2.1
263.07706	4.0
279.02716	3.2
295.05984	2.4
296.13663	2.1
321.04071	5.5
339.04968	2.9
361.10910	2.2
401.27081	4.2
449.29028	3.0
467.30179	7.4
509.31073	6.8
593.33478	2.4
611.34308	33.3
629.35065	14.5
653.35461	8.1
671.36450	36.9
672.37170	2.2
713.37616	7.3
794.76123	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	801.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29962	2.1
59.01384	100.0
69.17825	12.0
71.01392	37.1
72.99311	2.9
73.02953	22.2
73.44877	2.0
83.01380	9.2
85.02979	12.3
87.00879	6.6
89.02439	17.4
95.01390	3.7
96.96030	3.5
97.02954	3.0
98.21860	3.5
99.00870	2.9
101.02444	34.4
103.54317	2.1
109.02979	2.6
113.02460	19.2
119.03510	7.2
125.02423	4.8
131.03525	5.8
135.04539	4.2
143.03510	4.4
149.04539	5.8
161.04602	19.7
179.05653	13.8
203.05676	8.8
209.48531	1.8
210.91318	2.0
221.06633	18.4
228.23627	2.0
245.06673	2.0
263.07712	15.1
265.77841	2.0
268.79694	2.1
294.66367	2.0
295.06201	3.1
305.08810	6.7
321.04007	6.3
339.05072	3.5
467.30273	2.5
509.31155	4.6
611.34412	25.7
629.35651	14.6
630.35638	2.5
653.35645	6.1
671.36542	35.1
672.37097	4.7
713.37427	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	801.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.88816	18.6
71.01382	37.3
72.99329	8.0
73.02953	22.4
77.88041	6.2
83.01405	10.3
85.02961	19.4
87.00838	8.1
89.02465	16.8
95.01392	6.5
96.96001	6.2
99.00916	7.5
101.02471	36.0
107.06815	5.5
109.02956	20.2
113.02456	23.9
119.03480	8.5
125.02434	8.9
135.04530	15.9
141.07491	5.4
143.03519	9.4
161.04543	11.1
179.05627	9.5
185.02403	6.9
203.05598	8.8
221.06729	10.5
263.07761	11.8
293.04681	6.3
295.06271	11.0
305.08881	10.1
321.04105	19.7
339.04950	7.8
468.17609	6.2
509.30490	6.9
611.34442	24.2
629.35858	11.5
671.36420	40.7
672.37134	8.1
713.37476	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	801.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.1
59.01385	100.0
69.03460	1.8
69.51398	3.4
71.01385	27.1
72.99319	2.1
73.02959	7.9
76.56744	0.7
82.78460	0.8
83.01379	4.3
85.02957	11.7
86.00106	1.0
87.00877	2.3
89.02449	12.6
91.51987	0.8
95.01398	4.7
96.96046	1.5
97.02975	2.8
99.00877	1.7
101.02443	15.7
109.02920	0.9
112.01694	1.2
113.02468	18.9
113.03252	1.1
115.04023	0.9
119.03503	5.5
124.01640	2.6
125.02452	6.9
131.03561	0.9
133.02975	1.5
135.04544	2.1
142.02774	1.0
143.03487	4.2
161.02470	3.3
161.04543	4.8
179.03462	1.9
179.05562	1.5
183.08717	0.9
186.40723	0.8
197.04408	0.9
206.34633	1.0
218.94330	0.7
233.15422	1.2
449.28738	1.3
467.29901	1.6
545.30835	1.2
575.32593	1.5
593.33447	16.5
594.33313	1.3
611.34412	37.7
612.34442	2.2
629.35498	15.1
630.35730	1.4
653.35474	13.1
654.35913	1.1
671.36456	24.8
672.37360	1.5
713.37128	3.8
767.23254	1.0
801.38995	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	801.356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16473	1.6
57.03444	2.9
59.01386	100.0
61.98832	3.6
69.03463	2.3
69.25748	10.7
71.01389	31.5
71.38909	1.7
72.99306	4.0
73.02961	15.7
83.01415	10.5
85.02956	20.0
87.00884	3.3
89.02462	4.7
95.01399	5.6
96.96010	9.9
97.02962	6.7
99.00880	6.5
101.02450	25.2
109.03003	3.2
113.02467	15.1
125.02455	8.2
133.02972	4.0
135.04567	9.4
137.02496	2.1
143.03520	9.7
159.03017	2.5
161.02496	11.5
161.04597	8.9
162.02728	1.9
179.03548	5.9
197.04655	2.3
221.06734	2.2
283.10889	2.0
318.95108	2.0
329.73648	1.7
401.26831	2.2
449.29254	2.0
467.29907	4.8
509.31238	7.0
611.25159	3.2
611.34344	29.3
612.35065	2.8
629.35223	12.6
653.35052	10.4
654.36493	2.4
671.36615	42.9
672.37292	4.9
713.37799	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	801.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
58.00581	2.1
59.01386	72.0
69.67264	1.5
69.70624	1.5
71.01389	43.4
71.40971	1.8
72.99295	4.6
73.02958	8.5
79.05531	2.3
81.09233	1.7
83.01394	4.8
85.02951	13.4
89.02470	21.8
95.01392	5.2
95.04996	1.7
96.96011	10.5
99.00882	2.2
99.04521	3.9
101.02456	22.0
107.05048	4.0
107.94394	1.7
113.02456	15.1
119.03535	4.7
120.05833	1.8
135.04553	9.3
157.06541	2.1
161.02478	9.1
161.04575	7.0
161.09724	3.2
161.13353	15.1
169.10307	2.0
172.08943	2.1
179.03564	2.0
179.05582	2.2
187.11298	43.4
188.11642	1.8
205.12364	17.6
229.12395	2.2
231.10254	2.4
249.11301	5.4
293.79269	1.8
389.21899	14.8
411.16870	2.2
519.09326	3.3
543.28717	2.3
560.28955	1.7
577.33490	4.9
621.32800	100.0
622.33099	4.8
746.95581	1.7
801.39117	67.9
802.39484	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	802.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31696	0.4
61.98837	100.0
71.18999	0.6
81.14699	0.4
91.04836	0.4
102.20081	0.4
109.44291	0.5
109.89607	0.4
161.05312	0.5
433.84317	0.6
437.86880	0.5
468.74051	0.5
468.82260	0.6
792.13959	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	803.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01381	1.3
65.00321	1.2
67.01897	0.6
68.99804	1.5
70.38266	0.6
71.43593	0.5
72.99313	1.4
77.91661	0.4
81.03472	1.0
83.01395	7.2
85.02985	0.6
97.02971	1.2
107.01402	2.2
108.02213	0.8
109.02972	7.1
119.05041	0.6
120.72672	0.5
121.02970	1.7
123.01035	0.6
123.04545	1.2
125.02457	8.2
133.02971	1.0
134.03741	1.1
135.04565	2.1
137.02470	3.1
139.04008	1.2
147.04524	0.8
149.02475	8.4
151.00389	13.7
151.04079	0.8
153.01956	100.0
154.02304	1.7
161.02449	4.2
163.04033	0.9
164.01189	2.1
165.01936	3.0
167.03534	5.8
173.05855	0.5
175.04021	2.3
177.01959	3.8
179.03551	1.1
191.03613	0.7
192.00693	2.0
193.01411	3.2
193.05141	1.2
195.03053	3.7
197.04610	0.9
199.04036	1.9
203.03433	0.8
217.05003	1.2
219.02975	0.8
223.03998	1.1
235.06181	0.8
241.05054	2.0
243.02991	0.8
259.05981	0.5
267.02994	6.1
271.02710	0.7
277.03549	1.6
278.03879	0.7
284.03329	0.8
285.04086	10.3
300.02856	0.6
301.03275	0.6
303.05087	3.1
326.04156	0.5
339.07300	1.7
345.21768	0.5
359.07751	1.9
370.37466	0.5
399.09354	51.9
400.09738	2.9
447.09433	1.4
465.10394	3.2
505.13715	1.4
515.12354	0.9
531.11469	4.5
544.07471	0.5
623.13336	1.0
641.15295	3.0
803.21130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.2
62.90602	1.0
68.99828	1.5
71.43297	1.0
72.99319	13.6
73.02955	0.9
81.03472	1.3
83.01387	6.4
85.02958	1.9
92.99663	1.1
96.02192	0.9
105.03505	1.0
109.02980	3.9
123.04565	7.5
123.45647	0.8
125.02479	5.9
133.02959	16.7
134.03732	1.2
135.04536	15.3
147.18224	0.9
149.02470	1.9
151.00403	13.1
153.01950	100.0
154.02287	2.7
161.02461	74.8
162.02791	1.1
163.04083	1.0
177.01970	1.8
179.03539	11.1
195.03027	1.8
195.10323	2.6
197.04565	13.2
203.03389	1.1
209.35568	0.8
277.03320	1.0
357.15399	1.5
359.07733	33.8
399.09332	47.5
399.16748	2.8
400.09760	2.2
462.65298	0.9
641.15570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	25.8
69.83305	2.1
69.83627	3.2
71.01395	9.2
75.65183	1.3
79.17896	1.4
85.02949	1.9
86.04920	1.4
89.02468	7.2
98.22580	2.5
101.02464	5.2
104.05122	1.7
106.06622	4.4
113.02509	2.1
122.06108	7.3
130.02374	1.6
132.04633	2.3
134.06139	21.9
142.92487	1.4
152.07202	2.8
160.06454	2.6
161.02469	4.0
175.41547	1.5
190.05141	2.1
213.10350	14.4
225.10341	2.0
226.11067	1.8
239.11937	5.6
241.13513	6.8
251.12030	2.3
265.41089	1.7
285.12534	18.1
289.06793	1.8
328.11087	2.1
343.13120	2.6
356.13824	3.1
357.14444	1.6
358.15549	8.5
370.15985	1.9
372.16498	1.6
384.13312	3.3
385.14389	1.7
397.14252	1.8
398.15057	2.9
400.16531	8.9
408.71082	1.5
412.16577	8.4
596.56061	1.4
727.30060	6.5
744.28815	2.2
751.19226	1.6
771.28906	100.0
772.29169	23.2
803.31873	17.9
804.32220	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01387	100.0
67.83984	1.0
69.28574	3.9
71.01390	18.6
72.99323	1.3
73.02952	4.4
80.05087	1.8
83.01389	2.3
85.02957	4.9
89.02453	12.2
89.05993	0.9
91.26549	1.0
95.01383	1.8
98.22626	2.2
99.00906	1.6
101.02458	12.4
106.06644	5.1
113.02469	8.6
119.03537	5.1
121.05383	1.5
122.06145	7.5
123.04509	1.0
132.04568	2.4
134.06140	34.5
135.04575	2.3
143.28526	1.0
148.04016	1.6
152.07127	3.6
160.04095	1.5
160.06462	3.5
161.02444	4.1
161.04579	4.2
173.37395	0.9
174.05542	1.4
186.05612	1.1
190.05045	2.0
192.06718	0.9
213.10364	14.5
223.08655	1.2
225.10513	1.4
226.11125	1.5
227.11964	1.8
237.10423	1.6
239.11906	16.1
241.13510	8.5
251.11908	3.3
260.50461	1.1
265.09818	1.1
267.11310	1.7
277.09793	2.2
285.12488	23.7
293.12863	2.4
295.10953	2.1
305.09253	1.9
307.10922	1.6
314.12646	2.2
315.18030	9.1
328.10880	2.7
332.17688	1.5
337.11780	2.3
340.14728	1.9
341.11597	1.2
342.12283	3.7
343.13235	3.2
344.13852	2.3
356.13995	3.3
356.17920	1.8
357.14828	3.2
357.19189	12.9
358.15570	13.2
359.16229	1.9
368.10184	1.3
368.14154	1.2
369.14642	1.6
370.11700	2.2
370.15735	2.5
372.17380	2.1
382.15634	1.3
384.13239	5.2
384.17743	1.5
385.14294	2.4
396.13477	1.2
397.14224	3.0
398.15094	4.1
399.15387	1.2
400.16669	12.8
412.16595	8.8
426.14529	1.3
444.15903	1.4
459.66483	1.2
475.17245	3.1
476.18372	1.3
491.20914	1.4
505.22491	2.3
517.18500	2.2
573.21478	1.2
659.30786	2.3
685.28851	3.4
727.29999	15.4
728.29572	1.6
730.28949	1.9
743.29785	2.0
771.28918	86.6
772.29230	12.9
803.31519	38.8
804.31757	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	803.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82552	0.8
59.01386	100.0
61.98841	11.2
71.01387	12.5
72.99310	1.6
73.02940	4.1
79.75469	0.7
83.01401	1.3
85.02962	3.3
89.02453	5.6
91.05557	1.4
95.01414	1.3
96.96031	4.4
98.95601	2.7
99.00824	0.8
101.02461	7.0
106.06653	1.3
109.02932	0.9
113.02437	3.0
118.06660	0.8
119.03542	1.5
122.06117	3.0
129.10350	9.6
132.04529	0.9
133.02943	2.0
134.06134	9.9
135.04507	2.7
147.04520	3.2
152.07178	2.0
154.08763	1.3
161.02441	3.7
161.04584	2.6
164.07170	7.3
171.11427	8.3
177.01965	1.1
213.10378	4.7
225.28342	0.8
233.16591	3.4
235.08664	0.8
239.11899	3.6
241.13509	1.8
247.90337	0.8
263.08151	1.5
265.09637	1.4
277.09814	2.7
278.07507	0.9
278.10547	2.2
279.11285	2.0
285.12561	6.1
295.10956	1.7
305.09296	1.0
307.10834	1.0
319.16653	25.9
321.08591	0.9
342.12823	1.1
358.15604	2.1
377.91602	0.8
384.13449	1.8
397.22400	4.7
398.14993	1.5
400.16669	3.0
412.16663	2.7
439.23325	3.0
483.97241	0.8
487.60880	0.9
649.22638	1.4
666.22925	6.5
727.29742	4.3
771.28918	34.2
772.28741	3.4
803.31433	18.6
804.31946	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	803.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82552	0.8
59.01386	100.0
61.98841	11.2
71.01387	12.5
72.99310	1.6
73.02940	4.1
79.75469	0.7
83.01401	1.3
85.02962	3.3
89.02453	5.6
91.05557	1.4
95.01414	1.3
96.96031	4.4
98.95601	2.7
99.00824	0.8
101.02461	7.0
106.06653	1.3
109.02932	0.9
113.02437	3.0
118.06660	0.8
119.03542	1.5
122.06117	3.0
129.10350	9.6
132.04529	0.9
133.02943	2.0
134.06134	9.9
135.04507	2.7
147.04520	3.2
152.07178	2.0
154.08763	1.3
161.02441	3.7
161.04584	2.6
164.07170	7.3
171.11427	8.3
177.01965	1.1
213.10378	4.7
225.28342	0.8
233.16591	3.4
235.08664	0.8
239.11899	3.6
241.13509	1.8
247.90337	0.8
263.08151	1.5
265.09637	1.4
277.09814	2.7
278.07507	0.9
278.10547	2.2
279.11285	2.0
285.12561	6.1
295.10956	1.7
305.09296	1.0
307.10834	1.0
319.16653	25.9
321.08591	0.9
342.12823	1.1
358.15604	2.1
377.91602	0.8
384.13449	1.8
397.22400	4.7
398.14993	1.5
400.16669	3.0
412.16663	2.7
439.23325	3.0
483.97241	0.8
487.60880	0.9
649.22638	1.4
666.22925	6.5
727.29742	4.3
771.28918	34.2
772.28741	3.4
803.31433	18.6
804.31946	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	803.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82552	0.8
59.01386	100.0
61.98841	11.2
71.01387	12.5
72.99310	1.6
73.02940	4.1
79.75469	0.7
83.01401	1.3
85.02962	3.3
89.02453	5.6
91.05557	1.4
95.01414	1.3
96.96031	4.4
98.95601	2.7
99.00824	0.8
101.02461	7.0
106.06653	1.3
109.02932	0.9
113.02437	3.0
118.06660	0.8
119.03542	1.5
122.06117	3.0
129.10350	9.6
132.04529	0.9
133.02943	2.0
134.06134	9.9
135.04507	2.7
147.04520	3.2
152.07178	2.0
154.08763	1.3
161.02441	3.7
161.04584	2.6
164.07170	7.3
171.11427	8.3
177.01965	1.1
213.10378	4.7
225.28342	0.8
233.16591	3.4
235.08664	0.8
239.11899	3.6
241.13509	1.8
247.90337	0.8
263.08151	1.5
265.09637	1.4
277.09814	2.7
278.07507	0.9
278.10547	2.2
279.11285	2.0
285.12561	6.1
295.10956	1.7
305.09296	1.0
307.10834	1.0
319.16653	25.9
321.08591	0.9
342.12823	1.1
358.15604	2.1
377.91602	0.8
384.13449	1.8
397.22400	4.7
398.14993	1.5
400.16669	3.0
412.16663	2.7
439.23325	3.0
483.97241	0.8
487.60880	0.9
649.22638	1.4
666.22925	6.5
727.29742	4.3
771.28918	34.2
772.28741	3.4
803.31433	18.6
804.31946	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	803.408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.9
61.98835	0.9
69.03469	0.6
69.54037	1.6
69.54420	1.1
71.01389	8.8
72.99320	1.1
73.02965	1.5
79.22900	0.6
83.01404	0.8
85.02948	1.7
87.00877	1.9
89.02460	8.6
94.78889	0.6
95.01408	0.8
96.29350	0.5
96.95985	1.4
97.02954	1.6
97.37499	0.6
99.00871	0.8
101.02446	6.8
113.02457	4.7
116.92869	1.4
119.03507	2.7
125.02462	2.6
133.02966	1.7
133.73280	0.6
135.04529	2.2
138.16971	0.5
143.03510	1.6
161.02487	3.2
161.04573	2.0
162.02931	0.6
179.03419	1.2
179.05641	2.6
180.76892	0.7
183.13934	6.4
193.12367	1.7
211.13423	100.0
212.13747	3.7
235.08234	2.8
287.07831	0.9
305.08804	1.1
311.05505	0.7
323.09818	0.6
379.12625	4.8
385.92249	0.7
397.13556	20.8
398.14053	1.1
415.14569	4.4
487.00632	0.7
591.26495	3.4
609.28009	4.5
785.39685	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
63.58388	1.1
69.27272	6.4
69.41547	1.2
71.01388	1.3
71.39703	1.1
72.99316	7.0
73.02920	1.0
84.52802	1.2
89.03976	1.1
91.01920	1.6
93.03452	2.6
94.37789	1.1
96.96020	3.9
99.00911	1.1
105.03484	1.4
107.05027	3.1
108.02199	2.1
109.02951	5.8
112.98828	1.5
113.02442	1.2
115.24113	1.0
116.92886	1.1
121.03003	1.6
123.04536	1.9
125.02424	1.0
132.02188	2.4
133.02028	2.0
133.02975	20.9
134.03807	8.1
134.89474	2.1
135.04543	100.0
136.01640	1.7
136.04903	2.0
137.02475	2.3
148.01666	1.6
149.02489	2.2
151.04002	2.5
152.07307	1.3
159.04562	1.6
160.01660	1.9
161.02466	68.8
162.02945	2.2
163.04034	1.6
175.03912	1.5
176.01183	1.3
179.03520	77.0
180.03931	1.5
181.05132	1.9
189.01952	1.2
190.02713	4.0
195.03001	1.6
195.04599	1.6
197.04591	2.3
198.03238	2.0
203.03505	2.3
204.00635	1.7
205.05128	1.5
209.11925	2.3
210.03282	1.2
211.03998	2.5
211.13458	1.3
213.01863	1.1
213.05614	3.5
215.03531	1.9
216.00644	2.5
216.04222	1.5
219.02988	3.1
223.04031	1.9
225.02007	1.3
225.05644	1.4
226.02713	2.5
227.03551	3.7
228.04250	2.8
229.01491	1.5
229.05017	1.4
231.02936	1.4
231.06653	1.5
233.04471	2.1
237.04044	4.1
238.02820	1.6
239.03583	3.6
240.04300	3.0
241.05054	3.8
242.02164	1.7
243.03041	2.3
243.06667	6.6
244.03619	1.3
249.04091	3.7
251.03517	3.8
252.04111	1.2
253.05264	1.5
254.02315	1.6
255.02989	3.9
256.03735	2.0
257.04596	3.2
258.01672	1.7
265.04950	1.5
267.02957	4.9
267.06763	1.5
268.03732	1.9
269.04572	3.0
273.03903	1.5
274.04807	2.2
281.01114	1.1
283.02505	2.2
283.06122	3.1
284.03381	1.3
285.04007	2.3
286.04922	2.7
287.05576	1.3
298.04822	2.6
299.05646	3.4
301.03665	1.5
301.07190	3.2
303.05109	3.9
310.04733	1.7
311.05560	3.6
312.02774	1.7
313.07092	7.5
315.05322	1.7
315.08768	1.4
316.05457	1.5
317.06497	1.5
327.05130	4.5
328.05832	3.0
329.06757	1.7
331.08167	1.8
337.03525	2.6
342.03915	1.2
343.04675	1.6
343.08371	8.7
351.79773	1.4
353.02750	1.2
355.04648	4.2
357.06216	3.9
359.07770	3.9
361.05487	1.5
369.06308	5.1
385.05768	3.9
387.07227	17.9
389.08981	7.5
392.07492	3.3
393.07379	1.2
401.08786	3.9
405.08328	5.9
407.09927	2.4
417.08939	1.9
419.09888	4.8
431.06143	10.4
449.06970	1.6
463.08945	10.7
481.09894	4.8
517.07959	2.2
535.08923	2.3
549.10272	4.0
569.13031	18.7
611.10577	3.1
643.13153	5.5
643.27167	1.5
771.63470	1.2
773.29596	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	805.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	33.7
59.32398	1.0
61.98820	1.6
70.11541	0.9
71.01397	13.0
72.99285	1.6
79.50935	1.1
83.01387	1.3
85.02946	3.0
89.02456	9.8
94.06633	1.3
98.22696	2.1
101.02460	8.0
106.06654	4.7
107.03780	1.1
109.02920	1.2
113.02459	4.2
119.03481	3.0
120.08198	12.3
122.06133	14.1
122.61606	1.0
131.03758	1.0
133.02916	1.4
134.06128	24.2
135.04512	4.4
136.07684	1.5
139.05653	1.0
152.07166	4.9
160.03993	1.4
161.02455	2.9
161.04742	0.9
174.69571	0.9
179.03528	2.7
190.05098	2.0
222.07928	0.9
223.08771	2.0
225.10352	1.3
229.08952	1.1
235.08919	1.4
236.09622	1.3
237.10355	2.9
239.11861	6.3
242.77643	0.9
249.06721	1.7
249.10248	1.4
251.08258	3.0
251.11864	3.7
263.08264	4.9
263.11789	0.9
264.08990	7.9
264.12354	2.1
265.09778	6.5
276.09012	1.4
277.09848	4.8
278.10385	1.9
279.11423	16.6
280.12064	3.9
281.12997	1.5
291.11334	4.0
292.12189	3.1
293.12952	1.9
294.13736	1.6
305.09167	1.7
307.10858	2.0
314.12427	2.4
323.10379	4.3
324.11121	3.0
325.11691	1.7
326.12778	1.4
337.11874	1.2
339.17197	1.0
356.17377	1.2
358.19098	1.3
370.15472	2.6
371.15839	1.1
384.17068	1.5
401.20642	1.0
412.16702	1.7
414.18109	1.1
426.18500	2.0
427.19080	1.8
430.17719	1.8
444.19272	2.9
445.20154	1.6
456.16101	1.4
462.20370	1.6
471.17728	3.2
472.18750	3.5
473.19427	2.8
490.19809	7.1
606.24396	1.8
623.24817	1.5
650.23389	6.0
651.24554	12.6
682.26001	5.6
717.20667	1.1
729.32550	1.2
745.31421	1.6
773.30469	100.0
774.30548	11.0
805.32977	37.6
806.32800	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	805.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	54.3
69.33677	3.1
71.01020	1.6
71.01391	24.2
72.99329	1.4
73.02946	1.5
80.05035	1.6
83.01406	2.4
85.02975	4.5
87.00895	1.1
89.02451	20.0
90.74451	0.8
94.06630	1.4
95.01397	1.8
98.21903	2.1
99.00877	1.1
101.02456	14.8
105.05864	0.8
106.06645	4.4
107.03787	2.1
113.02464	8.4
119.03539	7.0
120.08213	13.5
122.06143	27.0
128.48170	0.9
132.04553	1.2
134.06136	36.2
136.07697	2.0
137.32013	0.9
150.05602	2.1
152.07198	9.2
165.25815	0.8
172.33725	0.9
188.07228	1.0
190.05148	4.3
221.10919	1.3
223.08775	4.3
224.09442	2.4
225.10400	3.3
232.13371	0.8
235.08823	1.3
236.09546	1.9
237.10301	7.4
238.11102	3.3
239.11925	16.2
240.12332	1.1
241.13519	2.6
248.89293	1.0
249.06812	1.4
249.10382	2.5
251.08212	4.9
251.11919	10.2
252.12907	1.0
253.13489	1.7
261.10303	1.0
263.08401	4.8
263.11880	2.3
264.09021	10.5
264.11990	1.1
264.12924	1.1
265.09845	11.4
265.13135	1.7
276.09067	1.3
277.09857	6.4
278.10489	2.7
279.08301	1.9
279.11420	36.6
280.12082	6.5
281.12943	3.4
283.10748	1.8
285.12399	1.1
291.11414	9.0
292.08932	1.4
292.12097	5.2
293.12933	3.0
295.10858	1.6
305.09451	2.6
307.10864	2.8
309.12317	1.0
314.12415	3.5
323.10410	4.6
324.11230	4.4
325.11823	2.1
337.11847	2.5
338.12839	1.2
342.16165	1.7
355.13428	1.2
356.17630	1.0
360.17023	1.5
369.14816	2.1
370.10962	1.1
370.15543	3.2
371.16235	1.9
384.17123	7.9
385.17923	2.8
386.19138	4.7
398.19040	2.1
399.19556	1.7
401.21301	1.1
402.18185	3.6
414.18243	1.9
426.18179	3.9
427.18726	1.4
428.15857	1.7
430.17621	3.0
444.19382	3.9
445.19757	1.8
446.21326	1.1
458.17346	1.5
459.17770	1.2
460.18912	1.3
462.20242	2.4
471.17923	2.4
472.18582	3.6
473.19360	1.6
488.17807	1.0
490.20029	6.9
504.21225	1.6
532.21393	1.0
564.23627	3.6
565.24341	1.8
566.25085	1.2
593.24042	1.3
606.24481	7.0
610.24261	4.0
623.25043	1.5
643.27448	1.3
650.23730	12.8
651.24493	14.6
652.24469	1.4
682.26221	14.2
683.26935	4.4
687.30719	2.3
729.32068	5.3
745.31708	2.0
755.28821	1.7
773.30481	94.2
774.30914	13.0
805.33105	100.0
806.33356	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	807.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
69.22037	0.8
69.22446	0.9
71.01382	0.7
72.99316	16.5
73.02946	1.0
81.45972	0.3
85.02955	0.6
96.95998	0.3
98.21725	0.3
99.04527	9.9
101.02450	0.5
105.03463	0.4
107.05050	0.7
109.02982	0.7
113.02452	0.8
113.78513	0.3
123.04546	6.5
132.02220	0.8
133.02974	22.0
134.03751	0.7
135.04544	18.8
136.04855	0.8
143.03566	0.4
151.04004	0.7
161.02463	100.0
162.02785	2.2
179.03522	14.1
180.03903	0.5
183.13684	0.3
197.04576	20.0
202.32706	0.3
214.05276	0.3
216.63550	0.3
223.02504	0.5
284.65643	0.3
288.55582	0.4
339.05124	0.4
351.71628	0.4
358.06494	0.4
359.07758	36.3
360.08142	1.3
519.09619	0.9
603.88928	0.4
733.82587	0.3
797.99817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01386	41.9
73.02934	5.2
85.02950	11.1
87.00878	12.2
89.02458	35.9
97.02977	3.5
97.09033	2.9
101.02442	34.4
111.00839	3.4
113.02483	17.1
119.03515	6.9
125.02457	6.2
131.03488	3.6
141.01726	23.6
143.03549	13.9
153.01682	17.2
155.41608	3.1
165.01649	15.3
179.05580	18.0
183.02795	4.6
195.02806	3.7
201.03763	3.5
203.05608	3.9
216.50522	2.9
221.06660	8.7
225.03835	7.7
243.04964	23.3
263.15274	3.2
341.10901	8.0
351.48465	3.2
383.11850	31.7
405.10144	40.8
447.11353	3.5
507.13177	3.9
665.21606	60.1
666.21576	6.5
687.19690	87.0
688.19977	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	809.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.76286	0.8
61.98866	0.7
63.00203	0.8
67.28281	0.8
71.01385	1.2
71.40962	1.1
72.99289	1.0
85.02988	1.3
85.98653	0.7
93.03468	29.9
96.96020	2.9
108.02184	27.5
109.02969	13.8
110.16758	0.7
112.63699	0.8
133.02936	1.0
135.04536	2.7
137.02454	50.8
151.04019	1.0
152.01172	41.6
153.01955	17.1
163.04044	1.2
163.83575	0.8
179.03403	1.0
185.74084	0.9
197.04538	1.6
292.72089	0.8
293.04636	1.9
295.05981	1.3
297.06256	6.3
315.07239	9.8
319.02710	1.1
321.04050	1.6
339.05267	1.0
413.78705	0.8
423.73859	1.0
435.09363	100.0
436.09692	4.2
436.66931	0.8
453.19461	1.0
544.13788	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	811.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
71.01395	0.6
72.99316	18.8
77.03978	3.5
80.08787	0.4
89.03968	2.3
93.03485	1.7
95.05042	7.8
96.95461	0.4
96.96007	2.4
97.06612	1.7
98.06909	0.5
101.02422	0.5
101.38560	0.4
105.03477	24.2
106.03809	0.8
107.94753	0.5
108.02171	0.8
109.02961	14.5
113.02520	0.8
117.03506	0.8
121.03008	3.6
123.04557	3.0
132.02167	0.6
133.02980	100.0
134.03436	1.7
135.04564	4.5
137.02414	0.6
145.02991	1.7
146.03848	0.6
146.36766	0.5
149.02515	2.4
150.03293	1.0
151.04037	1.3
157.50099	0.5
159.04573	1.3
161.02473	29.0
162.02791	0.7
172.05338	0.8
173.05992	0.7
174.03366	0.5
175.07719	0.6
176.04803	0.6
177.01959	59.8
178.02422	2.4
179.02115	0.6
179.03519	3.6
187.04051	0.7
187.07658	5.4
190.06418	1.2
197.04601	1.1
201.09207	1.0
202.06406	0.9
203.07230	0.6
205.08734	0.6
211.07738	0.8
213.09198	1.5
215.07214	0.6
219.10280	5.3
221.06198	1.1
222.06958	0.5
229.08717	1.1
231.10197	3.5
239.07158	1.7
249.05612	0.8
250.06458	1.0
257.08261	1.1
266.05893	1.0
267.06683	8.6
275.09366	3.2
293.10355	31.8
294.10626	1.1
311.05542	0.8
321.04272	0.5
357.06430	0.6
455.13519	17.1
456.13809	1.4
487.34476	4.7
522.74792	0.4
590.15472	0.6
723.30719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70763	1.8
59.01387	61.9
71.01385	18.6
72.99321	9.7
73.02951	56.3
73.03368	2.2
76.82968	1.7
79.95738	4.9
82.55933	1.6
83.01391	10.6
85.02935	2.4
89.02470	3.7
96.96023	72.3
101.02458	31.9
103.44366	1.7
109.02976	20.1
113.02473	6.2
119.03547	2.4
125.02477	2.9
131.03522	2.0
133.02974	6.6
135.04556	7.9
143.03545	2.7
149.04559	3.4
159.04527	1.9
161.04570	6.3
177.01996	1.9
179.03470	3.3
185.02463	11.2
193.67717	1.9
197.04504	3.3
221.06310	2.4
228.11638	3.4
229.12436	4.0
239.14445	4.3
241.12418	4.9
249.05650	3.3
253.12234	2.4
256.11108	8.2
257.15393	2.3
265.05078	3.3
267.06686	4.2
267.13898	6.6
277.05084	5.0
279.03027	4.1
280.03799	3.6
281.11673	2.1
283.13498	4.2
284.14252	2.7
285.14990	38.0
286.15625	5.4
293.04507	9.2
295.06137	10.9
296.14304	5.8
297.14893	21.7
299.12888	2.3
313.14490	3.6
314.11661	2.2
314.15295	51.0
315.16022	90.6
316.16351	3.4
318.77985	2.0
319.02536	2.3
320.02521	1.9
321.00479	2.8
321.04074	24.4
322.04489	3.7
339.05219	15.6
340.05603	2.9
459.20267	3.4
501.21143	2.7
517.07715	3.6
519.10016	2.8
519.21924	2.9
681.27875	6.9
723.28766	100.0
724.29279	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	811.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	59.5
64.36817	2.0
71.01382	18.4
71.40919	2.3
72.92218	2.0
72.99301	7.1
73.02954	56.3
79.95739	2.9
80.22871	2.1
83.01419	12.0
85.02948	2.6
89.02482	2.1
96.96022	96.2
101.02443	33.9
109.02967	21.7
113.02449	4.2
123.04563	3.3
133.02968	2.4
135.04526	7.6
143.03552	2.6
143.45746	2.3
155.03465	3.0
161.02419	3.5
161.04535	6.3
179.03568	3.5
183.76170	2.2
185.02466	8.8
186.03152	2.5
197.04539	5.0
201.72028	2.6
227.10873	2.3
228.11539	3.5
229.12286	5.1
239.14388	4.3
241.12469	3.1
241.16066	2.2
242.12813	2.4
248.04590	2.4
249.05319	3.4
251.10889	2.6
253.12088	3.2
256.11111	7.5
257.15524	3.8
265.05225	2.5
267.06580	3.6
267.13858	7.2
277.05194	3.7
279.02969	5.3
283.13406	2.9
284.13876	3.4
285.14978	35.0
286.15509	3.8
293.04520	9.4
295.06168	10.8
296.14191	5.3
297.15012	21.7
299.12762	4.6
314.15283	49.9
315.16028	89.9
316.16339	5.3
321.04095	20.9
322.04462	3.0
339.05060	14.1
517.43579	3.0
519.22119	4.3
681.27759	8.4
723.28705	100.0
724.29065	13.1
824.68433	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	811.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	26.5
67.84898	1.3
71.01395	13.0
72.95114	1.3
72.99318	3.9
73.02952	6.8
83.01397	3.9
85.02959	6.6
87.00897	3.0
89.02451	2.5
95.05013	3.0
96.96031	4.0
97.02956	1.7
98.21859	2.3
99.00886	3.8
101.02437	5.5
105.03477	7.0
109.02969	6.5
113.02448	4.1
123.04551	1.9
125.02496	2.0
133.02969	38.0
135.04538	6.1
151.03944	2.3
161.02478	18.9
161.04556	1.7
177.01942	22.3
179.03510	4.0
197.04599	2.6
215.10706	2.4
228.11511	1.6
229.87282	1.4
244.45325	1.8
267.06625	3.1
283.17065	3.6
297.18619	13.5
298.19122	2.1
315.19669	26.4
359.07816	2.7
369.20987	1.7
394.70590	1.6
459.23831	8.2
477.25000	18.9
478.25464	2.4
501.24704	2.4
510.87021	1.7
519.26160	17.2
616.45734	1.4
621.28522	3.3
622.30060	1.7
626.55188	1.4
639.30188	2.7
663.30304	16.5
681.31421	23.7
723.32422	100.0
724.32288	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	811.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	54.7
71.01391	25.5
71.04768	1.9
72.99317	3.8
73.02966	16.1
73.94569	2.3
74.07354	1.9
83.01396	6.8
83.25976	2.0
85.02962	14.7
87.00888	2.3
89.02441	4.4
95.01378	3.8
96.95998	2.6
99.00898	5.6
101.02467	15.9
113.02466	9.5
125.02463	2.8
132.46886	2.2
133.02969	5.8
135.04480	5.4
161.02432	8.2
179.03482	3.1
191.70932	1.9
197.04594	2.2
215.10831	2.2
283.17004	6.0
297.18622	20.1
298.19037	2.9
299.16446	2.1
315.19699	59.5
357.20651	2.4
357.75543	2.1
459.24063	20.4
477.24973	36.8
478.25491	2.9
487.34280	2.6
501.25076	5.6
519.26019	43.7
520.26019	4.7
527.53955	2.0
559.33142	2.8
621.29242	10.2
639.30383	8.9
663.30298	43.5
664.30292	2.6
681.31372	77.9
682.31488	8.0
723.32379	100.0
724.32751	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	811.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
69.72149	0.6
72.99314	13.5
91.05498	0.2
93.03462	0.2
95.05043	0.2
98.22588	0.2
99.57150	0.2
105.03436	0.4
107.05022	0.4
109.02972	0.6
115.01910	0.2
123.04537	6.3
132.02206	1.1
133.02972	23.7
134.03676	0.8
135.04538	18.4
136.04848	0.5
151.03992	0.4
161.02458	100.0
162.02802	3.3
179.03516	13.3
180.03842	0.6
197.04565	17.9
198.04930	0.4
210.39656	0.2
223.02434	0.5
255.87292	0.2
300.50467	0.1
301.26715	0.1
359.07745	37.0
360.08032	2.1
690.74561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
69.99016	0.1
69.99349	0.2
71.88871	0.1
72.99311	0.3
79.95744	4.3
86.74441	0.1
96.96022	100.0
97.95967	0.4
98.95588	0.4
108.02177	0.3
109.02973	0.7
123.04537	0.4
132.09866	0.1
133.02943	0.2
135.04521	1.3
145.03004	0.2
147.04506	0.1
151.03986	0.1
155.21048	0.1
161.02478	0.3
177.01744	0.1
179.03519	0.3
185.02454	1.1
186.03197	0.2
193.06653	0.1
197.04611	0.5
207.13861	0.1
237.84778	0.1
248.04955	0.2
249.05461	0.2
264.04218	0.2
266.05933	0.2
267.06522	0.1
276.04303	0.1
277.05084	0.3
279.03012	0.4
287.20319	0.3
292.03876	0.4
293.04587	0.5
294.05365	0.3
295.06195	0.5
295.69583	0.1
307.06192	0.3
309.07727	0.4
317.21304	0.3
320.03281	0.3
321.04083	1.6
322.04489	0.3
335.05582	1.3
339.05249	0.8
353.01303	0.5
353.06696	1.0
354.68701	0.1
357.06479	0.1
468.35660	0.1
473.08807	0.5
507.12851	0.3
517.07825	0.1
519.09644	0.3
533.10968	3.7
534.11450	0.3
551.12543	0.2
589.06958	0.2
683.32684	0.2
753.11279	0.2
784.60156	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	813.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69174	2.9
69.69511	0.9
72.99313	49.0
80.72974	1.0
89.03972	1.5
95.05038	5.0
96.96025	1.6
97.06596	4.4
105.03479	8.6
107.05099	1.2
108.02215	1.6
109.02975	11.1
121.02963	6.2
122.03748	2.1
123.04538	15.9
132.02229	1.8
133.02971	61.5
134.03253	4.4
135.03510	1.8
135.04536	30.8
136.04840	1.0
137.02489	1.4
145.02959	1.1
147.04601	1.6
149.02452	1.0
150.03220	1.9
151.02853	1.5
151.04019	20.3
159.04578	2.5
161.02463	100.0
162.02791	5.1
172.05325	1.5
173.02596	1.2
173.06107	1.7
174.03198	0.9
175.04050	2.1
175.07655	1.8
176.04796	1.3
177.01917	14.9
178.02419	5.5
179.02066	1.5
179.03539	25.7
185.02460	4.0
185.06059	1.0
187.07652	13.4
190.06412	3.4
197.04579	2.6
201.05621	1.5
201.09207	1.5
202.06416	2.1
203.07150	1.7
205.08733	1.4
213.09154	3.1
215.07121	1.6
219.10263	12.5
231.10249	6.9
249.05528	1.7
251.03270	1.2
257.08182	1.1
265.05099	1.2
267.06522	1.5
268.07068	1.0
275.09241	6.4
277.05127	2.1
279.03009	2.5
291.08746	1.5
293.04996	1.9
293.10342	52.5
294.10620	4.4
295.06183	3.4
295.10385	0.8
313.07245	6.7
319.08176	1.0
321.04068	20.5
322.04413	1.3
325.41235	0.9
339.05084	6.7
340.92105	1.0
357.06293	1.0
359.07806	1.8
453.12134	1.4
455.13519	39.3
455.20074	1.9
456.13873	4.0
457.14621	1.1
489.14139	2.3
519.09253	7.4
615.15247	3.9
615.75830	1.0
662.62152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82370	0.5
59.01378	2.0
64.87506	0.5
66.19000	0.5
69.13676	1.1
69.14081	2.6
71.01375	0.6
72.99312	12.4
76.92372	0.5
81.03490	0.8
82.47964	0.5
84.31172	0.5
87.00950	0.7
96.96008	3.2
98.21876	1.1
98.25938	0.5
105.12618	0.5
108.02193	1.0
109.02966	29.2
110.03291	0.6
112.98876	0.8
113.03963	0.8
121.02988	1.4
123.04539	2.4
133.02991	3.7
134.03789	1.1
135.04539	6.3
137.02455	0.5
145.02968	1.9
147.04570	1.9
149.02440	1.4
151.04015	2.1
157.03006	2.8
159.04497	3.7
160.01678	0.8
161.02463	10.2
162.03108	0.5
163.04008	0.6
172.05354	0.9
173.02480	2.3
173.06102	0.7
174.03218	0.7
175.04031	1.5
175.07629	0.7
177.01950	1.1
178.02747	0.9
179.03513	4.4
185.02460	26.2
186.03247	6.8
186.53503	0.6
187.03986	0.9
187.07672	4.1
190.06326	0.9
193.06619	1.3
197.04561	1.5
201.05585	0.8
202.06430	1.1
203.03357	0.6
203.07256	0.7
203.10802	0.8
209.06097	1.7
211.07762	1.0
215.07353	0.7
219.04486	0.6
219.10258	2.1
220.05344	1.5
221.06096	3.8
223.04088	1.4
224.04855	0.9
225.05635	1.6
229.01413	0.6
231.10257	1.5
232.05324	1.0
236.04651	0.5
237.05600	1.5
239.07184	1.3
245.95033	0.5
247.04095	1.8
248.04807	2.2
249.05591	8.8
251.03534	4.2
251.05859	0.6
251.07185	0.8
252.04298	2.8
253.05017	0.9
264.04138	0.7
265.05054	7.2
266.05902	1.0
267.06613	4.1
275.03372	1.2
275.09436	0.6
276.04306	1.7
277.05069	10.4
278.05579	1.2
279.03003	13.9
279.05957	1.1
280.03751	4.9
291.08945	0.6
292.03955	1.2
293.04645	11.2
293.10254	5.6
294.05127	0.7
295.06128	21.8
296.06564	0.9
303.03024	1.3
321.04059	100.0
322.04373	5.4
339.05099	26.6
339.09317	1.0
340.05530	1.7
357.06100	0.7
359.07651	1.0
386.86221	0.6
455.13492	1.9
471.13049	1.3
489.14120	6.2
519.09460	2.8
589.16919	0.9
607.50970	0.6
615.15094	24.5
616.15582	2.3
651.17053	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	813.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
65.93035	0.3
70.52848	0.4
70.53190	0.5
71.01396	0.4
72.99315	7.3
94.95116	0.4
96.96027	4.2
98.95592	0.8
108.02213	0.9
109.02965	24.7
110.03266	0.7
113.03970	0.5
114.01460	0.3
121.02979	0.9
123.04549	2.0
133.02954	1.7
134.03749	1.2
135.04538	6.4
137.02454	0.5
145.02974	1.4
147.04520	1.3
149.02451	1.0
151.04033	1.0
157.02957	1.2
158.03729	0.5
159.04558	3.0
160.01643	0.8
161.02466	4.7
163.04085	0.4
173.02415	2.2
173.72260	0.3
174.03120	0.7
175.04062	1.7
177.02043	0.7
179.03499	3.2
184.01678	0.7
185.02463	18.8
186.03212	3.9
187.03937	0.5
187.07565	0.8
193.06625	1.3
195.04494	0.8
197.04562	3.0
197.06129	0.7
201.01961	0.8
203.03470	0.5
204.05713	0.4
205.06726	0.4
207.04535	0.4
207.20625	0.4
208.05399	0.6
209.06087	1.0
211.07677	0.6
213.02003	0.6
217.08842	0.5
219.04533	0.8
219.10324	0.9
220.05293	1.1
221.06079	3.8
223.04019	1.1
224.04794	0.8
225.05621	1.5
229.01462	0.9
231.04735	0.4
231.10243	0.5
232.05302	0.7
235.04057	0.6
236.04927	0.7
237.05670	2.0
239.07170	1.4
247.04013	1.5
248.04828	1.9
249.05580	7.2
250.02637	0.7
250.06134	0.9
251.03506	5.1
252.04295	2.3
253.05086	0.5
259.04111	0.4
263.03586	0.4
264.04227	1.2
265.05069	7.7
266.05820	1.1
267.06613	4.1
275.03519	1.0
276.04291	1.9
277.05045	12.3
278.02463	0.5
278.05466	1.1
279.03012	14.6
280.03720	5.2
281.04309	0.6
282.44223	0.3
292.03821	0.8
292.59677	0.4
293.04590	10.4
293.10223	1.0
294.05161	0.6
295.06137	19.6
296.06393	1.1
303.02890	2.6
304.03595	0.4
313.07260	0.7
319.02600	0.6
321.04056	100.0
322.04398	6.2
335.02106	0.6
339.05093	24.3
340.05362	1.3
453.12274	0.5
489.14011	4.5
493.11505	1.5
501.08115	0.4
519.09381	46.2
520.09625	5.0
537.10602	0.8
615.14587	0.6
651.17267	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	40.3
67.46252	1.3
71.01378	14.9
71.68000	1.2
72.99317	5.0
73.02955	38.8
73.10026	1.2
73.85273	1.5
73.98540	1.2
79.95740	1.6
83.01389	8.1
85.02950	2.5
89.02476	3.0
90.01010	1.1
96.96020	24.3
98.21861	2.8
101.02454	20.8
102.02841	1.1
109.02957	11.1
113.02470	5.5
118.30416	1.5
119.03518	1.3
123.04491	1.4
125.02409	1.8
135.04533	4.3
149.04538	2.1
159.04538	1.4
161.02431	4.6
161.04579	5.0
179.03499	2.2
185.02498	6.7
186.03006	1.8
197.04573	4.9
213.01950	1.2
213.05908	1.4
221.06685	1.7
248.04994	1.8
249.05656	2.3
251.03444	1.6
267.06641	1.7
277.05136	3.5
279.02985	4.3
280.03558	2.1
293.04401	3.0
295.06161	6.9
299.20166	24.9
300.20435	1.5
301.18054	3.9
315.19769	2.8
316.20462	7.9
317.21219	100.0
318.21655	6.0
319.02679	1.5
321.04126	15.8
322.04367	4.2
339.05145	10.5
340.05649	1.9
431.29047	1.5
461.24747	1.6
519.09619	2.5
521.27637	5.0
665.31702	1.8
683.32739	5.5
725.33899	62.7
726.34485	4.8
729.95300	1.7
733.34296	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	814.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
59.39676	0.3
68.48839	0.3
72.99323	1.4
79.95738	4.4
81.03455	0.4
85.90615	0.3
93.03468	0.3
93.50341	0.3
96.96021	100.0
98.95602	0.7
108.02173	1.4
109.02965	34.6
110.03304	0.8
119.01406	0.4
121.02956	0.6
123.04549	0.8
133.03056	0.3
135.04543	1.6
137.02455	0.7
145.02977	1.2
147.04543	1.1
148.01688	0.9
149.02502	0.7
157.02975	0.9
158.03760	0.6
159.04543	3.0
161.02455	0.4
170.04536	0.4
173.02484	1.5
174.03313	0.5
179.03493	2.0
185.02451	18.5
186.03247	4.9
187.04056	0.4
193.06627	0.4
197.04619	0.6
203.03526	0.4
204.06065	0.3
207.02994	1.2
209.06126	1.3
220.05312	0.3
221.06053	1.6
222.06927	0.3
223.04054	0.5
223.07736	0.4
224.04797	1.2
225.05621	3.4
235.04056	0.4
237.05550	0.7
239.07158	1.4
248.04846	0.7
249.05556	3.3
250.06245	1.1
251.03506	1.1
251.07211	0.8
252.04266	2.0
253.05130	0.6
265.05112	0.6
266.05774	0.9
267.06714	4.3
269.08218	1.3
276.04160	0.8
276.08691	0.5
277.05081	7.0
278.05637	0.7
279.03006	3.7
280.03818	6.0
281.04205	0.4
293.04483	1.7
294.05154	0.4
295.06143	28.1
296.03296	0.4
296.06525	1.4
313.07321	0.4
321.04074	8.9
322.04465	0.4
339.05115	68.4
340.05530	4.0
359.96231	0.3
493.11526	0.5
519.09406	8.4
537.10333	0.6
547.09088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31231	0.3
72.98965	0.3
72.99308	2.1
76.09775	0.3
79.95741	3.5
81.03454	0.4
91.01881	0.3
93.03489	0.4
96.96020	93.7
98.22687	1.1
98.95605	0.7
98.96464	0.4
108.02212	1.5
109.02961	42.7
110.03318	0.8
111.47421	0.3
115.05532	0.5
117.85190	0.3
121.02962	0.7
123.04533	1.3
135.04527	1.8
137.02440	0.7
141.03539	0.3
145.02966	1.4
147.00966	0.5
147.04530	1.0
148.01645	1.0
149.02425	1.9
157.02945	1.4
159.04532	4.2
161.02428	0.7
173.02455	2.0
174.03171	0.4
179.03493	2.3
185.02454	22.4
186.03247	6.3
187.03925	0.4
193.06660	0.4
197.04597	0.7
197.06137	0.4
207.02876	1.5
208.05267	0.5
209.06087	1.4
211.07574	0.4
218.05806	0.3
220.05003	0.3
221.06081	1.3
223.07605	0.5
224.04756	1.0
225.05617	3.8
236.04694	0.4
239.07141	2.5
248.04897	0.6
248.09428	0.4
249.05576	4.3
250.06258	1.1
251.03502	1.5
251.07111	1.0
252.04289	3.2
253.05058	0.9
254.05951	0.3
265.05032	0.8
266.05856	1.2
267.06583	5.1
269.08197	1.7
276.04266	0.7
276.08826	0.5
277.05051	8.5
278.05566	0.9
279.03024	4.0
280.03775	7.2
280.06366	0.2
282.45450	0.3
293.04523	2.5
294.05374	0.5
295.06137	39.1
296.06555	2.3
296.09479	0.5
308.26318	0.3
313.07236	0.6
321.04089	9.5
322.04489	0.6
339.05109	100.0
340.05466	4.6
357.05942	0.5
465.13525	0.3
493.11362	0.7
519.09320	8.0
537.10278	1.2
547.08752	0.9
667.77240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71912	0.3
61.98837	100.0
69.18123	1.7
83.83661	0.3
96.96024	0.3
98.22630	0.4
107.02480	0.2
110.38095	0.3
112.43326	0.3
122.35067	0.3
135.04585	0.5
154.13200	0.3
161.02495	0.4
179.03722	0.3
188.64728	0.3
197.11880	0.3
211.13377	1.6
226.71898	0.3
309.20834	0.8
560.93079	0.3
623.76300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.57769	0.4
73.35164	0.4
84.43140	0.4
133.03012	0.4
135.04448	0.5
153.87907	0.4
161.02423	0.7
172.15764	0.4
293.45175	0.5
347.05502	0.4
610.55963	0.4
610.92395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.115
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44327	0.1
72.99316	0.2
78.12186	0.1
79.95742	3.8
95.54865	0.1
96.96020	100.0
97.95946	0.3
104.14583	0.1
109.02962	1.3
135.04518	0.2
179.03616	0.1
185.02441	0.9
186.03241	0.1
197.04665	0.1
249.05518	0.5
251.03476	0.2
265.05106	0.3
276.04529	0.1
277.05106	0.6
279.03058	0.7
280.03302	0.1
293.04700	0.6
295.06116	1.2
296.06485	0.1
321.04059	5.3
322.04449	0.4
339.05127	1.3
493.11646	0.2
519.09387	8.0
520.09601	0.9
537.10657	0.2
540.52850	0.1
565.03583	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	815.115
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29001	0.1
69.29443	0.4
72.99306	0.2
79.95741	4.0
81.16576	0.1
96.96017	100.0
97.95967	0.2
109.02957	1.3
114.30836	0.1
123.96198	0.1
135.04556	0.3
145.03040	0.1
159.04425	0.1
173.02467	0.1
185.02455	1.1
186.03241	0.2
221.06108	0.2
248.04808	0.1
249.05592	0.4
251.03467	0.2
258.90155	0.1
265.05023	0.4
275.03751	0.1
277.05136	0.7
279.03003	0.9
280.03738	0.2
293.04449	0.6
295.06134	1.3
321.04041	6.4
322.04361	0.4
339.05054	1.4
428.20282	0.1
493.11774	0.1
519.09338	7.9
520.09650	0.7
537.10345	0.2
752.56775	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	815.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77698	0.2
69.21516	0.8
72.99309	0.2
79.95296	0.2
79.95747	3.9
96.96022	100.0
97.55026	0.1
98.22632	0.3
98.95609	0.7
108.33062	0.1
109.02951	1.0
126.73560	0.1
135.04535	0.6
159.04483	0.3
179.03471	0.3
185.02492	0.7
186.02977	0.3
223.07820	0.2
249.05449	0.2
251.03467	0.2
261.69177	0.2
265.05148	0.2
267.06711	0.3
269.44067	0.1
277.05176	0.4
279.03009	0.5
280.03796	0.3
293.04721	0.3
295.06070	1.3
296.06491	0.2
321.04044	3.8
322.04364	0.3
339.05087	2.1
340.05313	0.2
396.42078	0.2
493.11679	0.3
500.06595	0.2
519.09387	6.8
520.09845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
59.18300	0.1
65.63271	0.1
68.26109	0.1
72.99304	0.7
73.50952	0.1
79.95743	4.1
79.96217	0.2
81.85515	0.1
85.45563	0.1
86.67078	0.1
95.08681	0.1
96.96022	100.0
97.95968	0.2
98.22747	0.2
109.02956	1.5
123.04570	0.1
131.07224	0.1
133.02998	0.5
135.04552	0.7
159.04572	0.2
161.02470	1.8
179.03543	0.6
185.02454	1.1
186.03146	0.2
197.04552	0.5
221.06064	0.2
247.04169	0.1
249.05611	0.4
251.03554	0.3
265.05167	0.2
267.06607	0.2
274.79233	0.1
277.05148	0.7
279.03043	0.7
280.03830	0.2
293.04578	0.6
293.12582	0.3
295.06180	1.1
303.03024	0.1
307.04556	0.1
321.04068	6.0
322.04587	0.2
339.05109	1.3
359.07785	0.4
455.15796	0.4
493.11783	0.2
519.09399	7.7
520.09796	0.5
537.10730	0.1
829.49756	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	815.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91981	0.2
62.14122	0.2
69.20647	1.2
72.99326	0.4
79.95747	3.4
96.96021	100.0
97.95962	0.3
98.95627	0.4
98.96386	0.2
109.02965	2.3
110.03306	0.3
119.15668	0.2
135.04546	0.5
159.04562	0.2
161.02429	0.5
179.03494	0.2
185.02449	1.5
186.02998	0.4
197.04517	0.2
222.14671	0.2
234.04749	0.2
238.39883	0.2
249.05522	0.7
251.03552	0.3
265.05017	0.2
267.06335	0.3
277.05130	0.8
279.03043	0.8
280.03693	0.5
293.04691	0.6
295.06207	2.0
321.04071	6.7
322.04565	0.4
339.05090	2.9
340.05496	1.0
343.13779	0.2
407.04614	0.2
519.09338	9.0
520.09430	1.1
537.10321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
64.81486	0.1
72.99314	1.5
77.63226	0.1
79.95744	3.9
93.03449	0.1
96.96020	100.0
97.95975	0.3
105.03439	0.2
109.02992	0.3
121.02966	0.2
123.04541	0.9
133.02968	1.4
134.03734	0.3
135.04533	1.8
136.04852	0.2
147.04550	0.1
149.02467	0.3
150.03302	0.1
151.04033	2.1
161.02466	4.8
162.02873	0.2
163.03976	0.2
167.03442	0.2
175.04256	0.1
177.01970	0.3
179.03517	1.0
195.03011	0.4
197.03012	0.1
197.04601	0.7
211.30136	0.1
267.06628	0.2
295.06314	0.2
307.04669	0.1
311.05707	0.2
313.07260	0.4
321.04132	0.1
339.05188	0.2
357.06189	1.0
359.07669	1.7
360.08325	0.2
393.08316	1.0
519.09198	0.9
521.10809	0.2
530.42493	0.1
555.11499	3.7
556.12012	0.3
655.59943	0.1
717.14886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.8
69.30356	6.7
71.01420	1.2
74.95599	1.1
87.00863	1.5
96.96017	8.0
98.21878	2.4
108.02172	2.4
109.02966	100.0
110.03291	1.4
112.44810	1.1
112.98822	3.3
119.05046	53.5
121.02964	1.5
123.04518	2.8
131.05066	2.5
133.02960	9.4
134.03680	1.4
135.04562	15.6
140.92583	1.1
145.02940	6.5
146.03697	1.4
147.04536	9.6
149.00952	4.5
151.04042	2.4
153.54095	1.2
159.04538	34.4
161.02464	15.5
163.04033	44.3
164.04396	1.3
173.02383	1.1
174.03250	2.5
175.04013	9.7
177.01825	1.3
179.03513	9.8
191.03523	1.6
203.03519	26.7
219.02954	1.3
225.05643	1.3
237.05519	3.3
247.02589	1.5
251.07167	2.4
252.07906	2.3
253.05049	2.3
254.05846	5.0
255.06566	7.1
267.06607	2.6
269.08209	37.6
270.08673	2.7
283.06039	1.9
293.02945	1.2
295.04474	5.6
311.05597	3.1
312.06064	1.4
313.07260	15.6
357.06195	97.2
358.06482	4.8
457.13583	66.6
458.13986	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	815.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40816	0.7
69.03469	0.7
70.71735	0.8
72.99316	61.0
73.99644	0.7
79.95736	2.1
87.00883	1.1
96.96024	49.3
97.06606	5.5
100.00296	0.8
105.03472	1.0
108.02185	0.6
109.02961	1.4
116.92806	0.6
121.02955	4.6
122.03783	1.3
123.04543	6.6
124.16653	0.7
132.02185	0.9
133.02972	27.8
134.03850	3.6
135.03508	0.9
135.04539	14.3
137.02505	1.3
146.03714	1.0
147.04524	0.8
149.06148	1.1
150.03265	1.8
151.04042	3.6
152.04379	0.9
159.04498	1.6
159.08180	1.2
161.02463	100.0
162.02820	4.7
172.05284	1.4
173.06076	2.0
174.06851	1.1
175.03987	1.6
175.07693	2.3
176.04836	1.1
177.01985	1.2
178.02742	4.7
179.03500	9.2
180.03804	0.8
187.07655	17.4
190.06415	4.6
191.10776	0.9
197.04565	6.4
200.04851	0.8
201.05649	0.9
201.09196	2.9
202.06403	4.6
203.10841	1.5
205.08832	3.3
213.09161	3.6
215.07153	1.2
219.10280	16.6
231.10277	10.7
275.09271	7.4
293.10339	72.8
294.10706	4.3
295.11063	0.9
311.11554	0.8
319.08167	2.3
334.47589	0.7
357.06232	3.3
359.07724	7.3
429.97797	0.7
455.13513	55.7
456.13770	5.9
457.14258	1.1
519.09418	4.8
520.10040	1.0
609.20636	0.9
681.05908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	13.2
65.27196	2.8
71.01395	12.3
73.02938	3.8
85.02965	5.5
85.60151	2.5
87.00906	6.4
89.02454	6.9
91.01907	9.4
101.02465	10.8
102.59794	2.7
108.02190	12.5
113.02469	5.3
123.04542	39.0
152.01146	12.9
166.02737	5.0
167.03508	100.0
168.03998	3.1
181.05089	4.8
189.17775	2.4
209.04573	31.4
221.06633	2.7
239.05634	7.3
261.16422	3.1
269.06735	4.5
329.09290	3.5
371.09827	11.1
383.11740	3.4
431.12128	4.8
491.14169	4.3
533.15057	11.1
563.15820	2.9
593.17334	2.9
647.20367	6.3
815.24646	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
60.14493	0.1
62.92264	0.2
66.80244	0.1
69.09428	1.0
70.30898	0.1
71.01389	0.9
72.99314	16.5
73.02954	1.6
79.95767	0.3
83.01391	0.3
85.02948	0.4
89.02465	0.2
93.23835	0.2
96.96017	8.9
101.02454	1.1
105.03452	0.5
107.05032	0.4
109.03000	0.9
113.02486	0.8
119.03536	0.2
121.98038	0.1
123.04540	6.8
125.02431	0.2
132.02171	1.1
133.02968	21.9
134.03687	0.7
135.04535	18.1
136.04874	0.6
137.09763	0.4
143.03517	0.2
149.02451	0.2
149.04633	0.3
151.04027	0.6
152.63708	0.1
159.04564	0.2
160.01773	0.2
161.02458	100.0
162.02795	2.3
177.01996	0.5
179.03513	15.3
180.03828	0.5
197.04568	20.0
198.04951	0.5
200.04643	0.1
219.03072	0.2
221.06676	0.2
223.02507	0.5
245.20026	0.2
295.06180	0.2
321.03931	0.3
357.06155	1.1
358.06573	1.1
359.07745	42.1
360.08121	1.5
499.36435	0.2
519.09503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	0.3
59.01386	8.5
59.31826	0.2
69.03469	0.3
69.73314	0.7
69.73663	0.2
71.01387	2.5
72.99316	0.6
73.02954	7.7
79.95747	0.7
83.01393	2.0
85.02966	0.6
96.96021	13.7
97.02945	0.4
98.95561	0.2
101.02452	5.6
109.02959	1.0
113.02486	1.5
114.52862	0.2
116.92909	0.3
119.03513	0.3
123.04454	0.2
125.02464	0.8
131.03554	0.4
135.04546	0.5
143.03522	0.9
155.03519	0.6
161.02441	0.3
161.04597	1.3
185.02408	0.2
186.91064	0.2
203.05592	2.0
220.07156	0.2
221.06664	0.3
233.15375	0.3
249.59283	0.2
277.05225	0.4
279.02948	0.3
282.08807	0.2
293.04572	0.3
295.06021	0.4
315.23297	0.5
319.22797	100.0
320.23145	5.6
321.04019	2.1
322.04407	0.3
333.24323	1.6
339.05170	0.7
343.85931	0.2
361.23871	7.2
361.28391	0.4
362.24246	0.5
388.79123	0.2
391.24796	0.3
463.27179	0.3
505.28214	0.6
519.09064	1.1
523.29364	0.5
565.30115	0.8
769.05182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.4
69.24380	1.1
69.24774	0.6
71.01387	2.7
72.54269	0.3
72.99319	1.0
73.02567	0.5
73.02959	7.9
75.68361	0.3
76.31908	0.3
83.01421	1.5
85.02953	0.7
88.62801	0.3
96.48901	0.3
96.96020	1.6
97.02998	0.4
101.02459	5.7
105.73059	0.3
109.02940	0.7
113.02471	1.5
118.59299	0.3
119.03526	0.5
121.11207	0.3
123.61782	0.3
125.02481	0.8
133.02951	0.8
134.24898	0.3
135.04553	1.8
143.03505	1.2
155.03500	0.3
161.02477	3.0
161.04575	1.3
169.79327	0.4
179.03528	1.3
180.50514	0.3
197.04553	0.6
203.05614	1.7
221.06735	0.6
235.11975	0.3
319.22803	100.0
320.23111	3.9
321.04102	0.6
322.04498	0.4
329.17480	0.7
333.24231	1.8
359.07721	0.7
361.23889	7.7
362.24188	0.5
523.29321	0.7
565.30255	0.7
621.65741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.8
64.03629	0.6
70.65238	0.5
71.01392	5.9
72.99326	1.1
73.02953	8.5
79.95722	2.9
83.01389	3.1
85.02953	2.0
87.00881	0.9
89.02456	1.1
90.66994	0.5
96.96019	66.3
97.02966	0.7
99.00897	0.6
101.02451	11.9
108.86439	0.5
109.02967	3.3
111.00893	0.5
113.02478	2.9
119.03496	0.9
123.04509	0.7
125.02493	1.6
131.03552	1.2
135.04536	1.5
143.03542	1.7
155.03568	0.6
161.02477	1.2
161.04585	2.9
163.71992	0.5
178.36235	0.5
179.03506	1.0
179.05650	1.0
180.87973	0.6
185.02449	1.7
197.04582	1.1
203.05629	2.2
221.06670	0.8
249.05527	0.7
263.07764	0.7
277.04996	1.5
279.02994	1.1
280.03711	0.6
293.04724	0.7
294.05133	0.8
295.06091	2.0
308.72165	0.6
319.22803	100.0
320.23108	5.4
321.04028	7.3
322.04398	1.7
333.24463	1.4
339.05200	1.7
340.05341	0.6
361.23889	1.0
388.50739	0.5
496.54102	0.6
505.28073	0.7
519.09369	6.2
520.09479	1.3
523.28888	1.3
543.28174	1.0
565.30579	1.0
585.29340	1.0
625.32397	2.7
643.34070	0.8
667.33307	1.2
685.34589	4.1
727.35962	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	815.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	43.5
69.03451	0.8
71.01390	12.1
72.99316	1.1
73.02953	23.4
75.00885	0.5
79.95754	1.5
81.03484	0.5
83.01393	5.7
85.02960	3.4
87.00900	1.6
89.02455	2.5
95.01391	0.9
96.74237	0.3
96.96022	39.0
97.02956	1.3
98.21832	0.8
98.95603	0.4
99.00896	0.6
101.02456	24.1
109.02945	1.4
111.04565	0.4
113.01714	0.6
113.02456	7.0
119.03510	2.4
120.72343	0.4
123.04496	0.3
125.02465	2.7
131.03534	4.5
135.04572	1.0
143.03517	3.6
149.04570	3.8
155.03517	1.0
159.03067	0.4
161.02539	0.5
161.04581	11.1
179.03624	0.5
179.05611	1.4
185.02457	0.9
197.04459	0.5
203.05653	9.2
217.35699	0.3
221.06696	12.2
263.07730	16.9
264.08136	0.4
279.03186	0.4
293.04541	0.6
295.06143	1.2
303.02921	0.4
305.08792	6.8
319.22794	100.0
320.23135	4.8
321.04077	3.8
323.09982	0.5
333.24387	1.7
339.05161	1.4
361.23862	10.8
361.28378	0.6
391.24878	0.8
451.77026	0.4
519.09509	2.9
520.09955	0.6
565.29852	1.7
727.35663	0.5
805.53943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
59.01387	24.6
69.26474	3.7
71.01392	10.5
72.99320	1.9
73.02956	9.5
79.95744	2.4
81.92915	0.7
83.01407	3.8
85.02981	4.1
87.00895	1.4
89.02464	1.1
95.01402	1.7
96.96027	40.0
97.02986	0.8
98.95555	0.8
99.00872	1.8
101.02467	7.5
102.51528	0.9
106.99543	0.7
109.02949	2.3
113.02444	6.2
125.02475	1.9
133.02922	0.8
135.04543	1.4
137.02473	0.7
143.03520	1.5
159.30954	0.7
161.02457	1.7
169.41501	0.8
179.03517	1.2
185.02483	1.4
203.05621	2.6
255.97139	0.7
279.03058	1.1
295.06012	1.1
302.80771	0.8
319.22818	100.0
320.23157	4.1
321.04242	5.3
322.04224	1.2
333.24576	2.2
339.05209	1.8
361.23856	8.8
362.24234	1.1
373.23740	0.8
433.24701	0.7
463.27045	8.9
481.28128	17.0
482.28589	0.9
505.28244	1.7
519.09375	3.1
520.09772	1.1
523.29327	12.9
565.30420	0.9
607.31671	1.0
625.32660	2.4
643.33826	2.1
667.33514	13.0
685.34344	27.2
686.34851	2.9
727.35565	31.9
728.36511	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	816.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76300	0.5
61.98837	100.0
69.74460	0.8
69.74789	0.9
95.64349	0.5
98.22723	0.6
105.86288	0.5
116.92894	0.6
135.04556	0.7
140.60667	0.6
164.43762	0.6
185.06105	0.5
379.26239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
71.25451	0.2
72.99309	0.8
75.66518	0.2
79.95747	4.1
79.96210	0.3
81.95315	1.0
83.65710	0.2
85.04379	0.2
96.96023	100.0
97.95959	2.1
97.96486	0.5
98.95606	31.8
98.96436	5.3
99.92603	1.4
100.93391	0.5
109.02969	1.9
110.03289	0.2
115.92083	0.3
135.04526	0.6
145.02957	0.4
147.04518	0.3
152.81944	0.2
173.02539	0.3
174.67191	0.2
185.02429	1.3
186.02950	0.6
186.58168	0.2
203.50049	0.2
217.96823	0.7
233.96371	0.4
234.96974	0.2
249.05586	0.4
261.95950	0.4
265.05066	0.6
266.05591	0.2
275.03671	0.3
277.05103	0.7
278.05499	0.3
279.03079	0.6
280.03540	0.5
281.03760	0.2
293.04575	0.4
293.99954	0.5
295.06076	0.8
296.06583	0.5
304.98987	0.3
307.00610	0.4
321.04062	4.3
322.04352	2.0
323.00906	0.3
323.04639	1.0
336.01074	0.7
339.01398	0.2
339.05112	1.5
340.05469	0.7
341.05807	0.3
344.01471	0.3
350.99557	0.3
352.00458	0.5
361.98840	0.2
374.99698	0.3
376.97751	0.4
380.00446	0.3
398.00833	0.3
403.99850	0.3
451.03015	0.3
452.03644	0.9
466.01630	0.3
467.02670	0.2
468.03391	0.4
478.01907	0.2
480.03589	0.3
495.01620	0.3
496.02490	1.0
497.03604	0.3
513.02936	0.3
519.09406	3.4
520.09656	2.4
521.09949	3.2
529.01459	0.3
538.10437	0.2
539.00610	0.4
540.02155	0.4
573.01440	0.5
675.06531	0.5
691.54681	0.2
691.66766	0.2
693.07104	0.3
719.05304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.6
63.71835	0.2
72.98902	0.5
72.99314	10.8
79.95757	4.2
81.95335	0.7
85.02959	0.3
96.96021	100.0
97.95939	2.6
97.96458	0.4
98.95607	32.3
98.96438	4.9
99.92584	3.4
100.93375	0.7
105.03497	0.5
107.05081	0.3
109.02965	2.7
115.92107	0.8
117.03452	0.4
121.02959	0.6
123.04532	4.5
125.02497	0.5
132.02199	0.6
133.02969	14.0
134.03760	0.6
135.04538	13.5
136.04878	0.3
137.02452	1.1
145.02954	0.6
147.04581	0.4
149.02444	0.4
151.04031	1.7
156.97171	0.3
159.04553	0.6
161.02460	63.7
162.02853	0.4
165.01906	0.3
166.81061	0.3
173.02510	0.9
175.04091	0.4
177.01961	0.8
179.03514	10.0
185.02505	1.6
186.02957	0.4
191.95164	0.3
195.03027	0.8
197.04572	11.2
204.95976	0.6
205.96678	0.4
217.96913	1.6
218.97420	0.5
219.04630	0.3
219.98404	0.5
227.05592	0.4
231.03033	0.5
232.05324	0.6
232.95618	0.5
233.96243	1.2
235.97758	0.4
247.04031	0.3
249.05560	0.6
260.04907	0.3
261.95810	1.1
265.05066	0.6
277.05109	0.9
278.05402	0.3
279.03000	0.6
280.03519	0.6
280.98819	0.4
291.98553	0.3
293.04630	0.8
293.99887	1.0
295.06085	1.5
296.06461	0.5
297.07169	0.3
307.00726	0.9
308.01297	0.3
309.99200	0.5
314.07388	0.3
320.01492	0.6
320.98621	0.3
321.04034	5.4
322.04330	3.2
323.00143	0.8
323.04568	1.6
333.99310	0.4
336.00903	1.3
338.99725	0.4
339.05087	1.1
340.05542	0.8
341.05960	0.4
344.01743	0.5
348.98224	0.3
349.98941	0.5
350.99792	0.6
352.00406	1.3
354.99216	0.6
357.06122	2.9
358.06506	0.6
359.07739	24.6
360.01047	0.8
361.99173	0.4
374.99939	0.6
376.97513	1.2
377.98309	0.4
378.98993	0.3
380.00046	1.1
388.00244	0.4
388.75549	0.3
389.08890	1.8
398.00836	0.5
403.99985	0.6
406.98630	0.8
438.02390	0.3
450.02112	0.6
451.02655	0.7
452.03882	1.7
467.01990	0.7
468.03198	1.3
478.01599	0.6
479.02136	0.3
480.03226	0.6
485.03452	0.3
494.00867	0.7
495.01901	1.2
496.02597	1.7
497.03586	0.6
512.02582	0.7
513.03040	0.8
514.04279	0.3
519.09357	4.8
520.09650	3.4
521.09875	3.5
524.02313	0.4
529.01703	0.5
539.00897	0.7
539.12085	0.4
540.01459	1.3
541.02405	0.6
556.01129	0.5
557.01923	0.4
558.02454	0.4
573.01337	0.9
574.01959	0.4
631.07336	0.5
675.05835	1.0
693.07294	0.7
719.04987	2.1
719.76666	0.3
720.05591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93246	0.3
65.93603	0.2
72.99313	1.1
79.95749	4.3
81.95325	1.0
96.96020	100.0
97.95957	2.2
97.96467	0.4
98.95605	31.1
98.96429	4.2
99.92584	1.9
100.93367	0.7
103.58741	0.3
106.20663	0.2
109.02940	2.1
110.03302	0.5
114.64875	0.2
121.02982	0.3
128.91885	0.2
135.04497	0.4
145.02986	0.4
149.02469	0.4
161.02528	0.3
172.33945	0.2
173.02417	0.7
185.02415	1.5
186.02942	0.4
204.95953	0.3
205.96754	0.3
217.96809	1.0
218.97496	0.3
232.95497	0.4
233.96194	1.2
235.97945	0.4
247.04002	0.4
248.04706	0.5
249.05495	0.6
252.04033	0.3
261.95822	0.5
265.05112	0.4
272.70258	0.3
277.05130	0.6
279.03049	0.6
280.03482	0.3
293.04510	0.6
294.00012	0.9
295.06290	1.5
296.06241	0.3
307.00571	0.6
308.01514	0.3
309.99472	0.5
317.99765	0.3
320.01648	0.5
321.04108	4.4
322.04434	3.0
323.00378	0.5
323.04623	1.3
333.99567	0.3
336.00879	0.9
338.99667	0.5
339.05215	1.0
340.05225	0.6
341.05673	0.3
344.01419	0.4
346.99622	0.4
348.98199	0.4
349.98785	0.3
350.99442	0.4
352.00397	1.3
360.01151	0.4
361.98682	0.5
362.99908	0.4
364.00317	0.4
376.97629	0.7
377.98334	0.4
378.99213	0.3
379.99994	0.9
398.00992	0.6
404.00110	0.3
406.98849	0.5
422.02734	0.5
424.04398	0.3
438.01828	0.5
451.02386	0.4
452.03552	1.0
467.02481	0.5
468.02957	0.9
478.01498	0.3
479.02347	0.3
480.03259	0.5
494.00903	0.7
495.01736	1.0
496.02567	1.6
497.03201	0.6
511.00977	0.4
512.01837	0.6
513.03192	0.5
514.03510	0.4
519.09460	4.4
520.09686	3.0
521.09943	2.8
523.01923	0.4
527.00598	0.3
529.02673	0.3
539.00757	1.2
540.01465	1.1
541.02136	0.5
555.00513	0.5
573.01404	0.7
631.07446	0.7
675.06451	0.9
691.05450	0.4
693.07184	0.4
719.04913	2.0
737.05505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01383	3.5
71.01372	0.3
72.69307	0.3
72.99316	17.3
73.02946	0.6
79.95743	0.5
95.46743	0.3
96.96021	6.9
98.95602	3.0
98.96452	0.8
99.04514	0.5
99.92603	0.4
101.02448	0.4
105.03471	1.1
107.05032	0.6
107.62045	0.3
109.02970	1.1
122.03787	0.3
123.04539	8.0
125.00677	0.3
125.02470	1.0
132.02191	1.0
133.02974	24.2
133.40038	0.3
134.03687	0.9
135.04541	20.7
136.04854	0.4
137.02451	1.7
140.93040	0.3
149.02502	0.4
151.04050	1.8
161.02461	100.0
162.02805	2.7
163.03979	0.7
177.01929	1.0
179.03516	14.2
187.20372	0.3
191.03566	0.3
195.02995	0.5
197.04559	18.5
198.04840	0.5
217.96777	0.5
219.03006	0.9
223.02560	0.4
231.03009	1.0
311.10162	0.3
357.06171	6.4
358.06436	0.8
359.07736	38.4
360.08047	2.8
389.08890	2.1
489.58517	0.3
521.10083	0.4
579.57996	0.3
584.75519	0.3
832.27551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98838	15.5
71.01397	2.0
73.02924	0.5
80.96551	0.6
85.02969	0.5
87.00898	0.6
89.02470	1.6
96.99328	3.2
97.02955	0.5
99.04187	0.5
101.02468	1.9
113.02489	0.8
119.03542	0.7
125.02502	0.8
141.01720	49.6
142.02116	0.8
150.77980	0.5
175.33885	0.5
210.84811	0.5
235.08414	0.8
277.21744	4.9
359.22101	4.8
392.75601	0.5
397.13547	11.4
398.13867	0.7
409.23572	0.5
415.14581	2.7
419.11984	2.1
437.12848	3.7
675.36316	0.9
697.34674	1.4
817.51056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98835	3.8
69.60936	0.7
71.01402	3.0
78.80341	0.6
80.96545	0.9
85.02966	0.6
89.02480	1.5
91.61936	0.6
96.99323	1.1
97.02942	0.8
98.21787	1.2
101.02496	2.0
113.02472	1.3
119.03537	0.9
125.02470	1.3
129.49088	0.7
141.01721	51.6
143.03546	0.7
163.53140	0.6
221.06567	0.6
221.31543	0.7
233.11060	0.7
277.21701	6.6
307.20352	0.7
359.22223	5.4
397.13538	12.6
398.13684	0.7
415.14908	2.6
419.11920	2.5
437.12875	4.0
675.37384	0.8
697.34967	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	818.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30928	0.3
61.87911	0.2
61.98837	100.0
66.68349	0.3
121.83241	0.3
125.81390	0.3
213.61259	0.3
344.87619	0.3
392.80698	0.3
715.47919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
63.67277	0.3
64.34743	0.3
67.63082	0.3
69.17316	1.0
69.17744	0.9
71.01381	0.4
72.99317	18.1
73.02945	0.4
96.34564	0.3
105.03468	0.4
108.02221	0.3
109.02984	0.8
112.98824	1.1
115.01858	0.3
119.05061	1.0
121.07951	0.3
123.04536	7.8
123.05376	0.5
131.52831	0.3
132.02220	1.0
133.02972	21.4
134.03667	0.6
135.04543	19.8
136.04857	0.4
148.01723	0.7
151.04082	0.6
161.02466	100.0
162.02818	2.0
163.04021	0.7
164.04411	0.3
179.03520	16.4
180.03835	0.7
181.32693	0.3
183.34302	0.3
191.03551	1.3
197.04575	21.6
198.04872	0.5
203.03561	0.6
223.02538	0.6
247.52121	0.3
273.94147	0.3
277.03577	0.8
339.67020	0.3
357.06348	1.0
358.06616	1.3
359.07751	39.1
360.08145	1.5
389.08911	1.2
819.79840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.9
62.84056	0.4
67.41650	0.4
70.07066	1.4
71.23150	0.4
72.99320	14.8
81.88609	0.4
98.95592	0.4
105.03487	0.5
109.02971	1.2
110.70684	0.4
112.98820	3.7
119.05045	4.1
123.04548	7.8
132.02202	1.2
133.02979	20.5
135.04543	19.0
136.04877	0.8
145.02969	1.2
147.04520	0.8
151.04044	1.2
161.02461	100.0
162.02818	2.5
163.04050	2.4
175.03987	0.6
177.01840	0.5
179.03520	15.8
197.04568	21.5
203.03566	1.7
223.02490	0.6
267.62531	0.4
277.03540	4.8
357.06406	0.5
358.06497	0.6
359.07745	41.9
360.08093	2.3
377.67413	0.5
388.32932	0.5
389.09119	0.5
525.49634	0.5
780.11737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.6
59.56010	1.1
69.07815	4.0
69.08224	5.9
72.99316	84.0
89.66415	1.4
97.06603	6.7
102.10503	1.3
121.02959	6.1
123.04517	3.7
125.40941	1.4
133.02054	1.8
133.02974	23.8
134.03789	6.2
135.04527	6.2
137.02444	1.5
147.04533	1.9
150.03256	2.2
150.36052	1.4
151.04050	1.5
158.03740	1.6
159.04553	1.7
159.08157	2.0
161.02461	85.3
162.02780	3.1
163.07645	2.3
172.05258	2.7
173.06117	2.2
175.07619	3.9
175.38309	1.2
176.04715	2.6
178.02763	7.8
178.04039	1.3
179.03448	5.2
179.22734	1.3
187.03943	1.8
187.07657	26.1
189.05722	1.6
190.06351	5.8
201.09325	2.5
202.04651	1.3
202.06387	5.9
203.10818	3.0
205.08655	4.5
213.09171	6.5
215.07147	3.1
219.10251	21.9
231.10274	16.4
247.09782	1.4
249.11266	1.6
257.08182	1.4
257.13040	3.0
271.79587	1.5
275.09250	11.0
293.10342	100.0
294.10703	3.7
301.11856	2.7
455.13498	78.7
456.13736	5.0
602.76331	1.5
674.06818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
67.01878	0.5
69.21564	1.0
69.21969	0.7
71.01363	0.9
72.99290	0.4
89.02446	0.7
95.05036	0.5
96.95994	1.2
98.95577	0.7
100.59966	0.3
101.02439	0.6
107.03752	0.3
108.04573	0.3
113.02386	0.3
119.03514	0.4
119.05033	0.3
120.04590	2.4
121.05357	2.1
122.06136	5.6
132.04543	0.4
133.02917	0.6
134.06143	3.4
135.04524	1.0
135.06969	1.7
135.75743	0.3
136.07703	10.6
137.02469	0.4
148.07674	0.4
152.07141	0.5
158.02466	0.9
161.02432	1.9
161.07208	0.8
162.05609	0.5
163.72522	0.3
171.11783	2.6
171.45326	0.3
171.72546	0.3
179.03381	0.3
185.08398	0.4
189.10277	0.4
190.05125	4.4
198.09303	1.5
199.10062	1.4
212.10689	0.4
213.06761	0.3
214.07422	0.4
214.12392	10.2
215.12813	0.4
225.06638	0.4
226.07524	0.9
227.08263	2.5
228.08968	1.2
229.09850	4.5
230.11873	3.7
241.09848	6.4
242.10625	15.5
243.11079	0.5
247.02457	0.3
256.12119	0.7
257.12982	77.4
258.13339	3.7
283.10748	0.7
301.11966	100.0
302.12283	4.5
309.08884	0.5
314.12515	0.4
327.14020	0.3
337.11932	1.3
346.52084	0.4
359.07935	0.4
470.77161	0.3
517.18317	21.8
518.18671	1.8
743.29572	0.5
747.28961	0.5
775.32098	0.4
787.29083	1.2
819.30945	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	820.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	37.6
69.74000	0.6
69.74403	1.0
71.01390	7.4
72.99306	0.4
81.03338	3.1
83.01409	0.4
85.02953	1.7
89.01939	0.6
89.02456	7.5
95.01397	0.7
101.02452	6.0
113.02449	3.6
119.03528	3.1
133.02907	0.4
135.04556	0.6
161.02451	1.1
163.11293	3.8
164.16559	0.3
178.01758	0.5
179.03517	0.4
184.27467	0.4
205.02882	13.4
205.04810	0.8
205.67102	0.3
206.03247	0.6
207.10292	7.0
252.02946	13.7
253.03226	0.6
281.74573	0.4
282.15167	0.4
359.07626	0.5
367.83087	0.4
387.16623	100.0
388.17004	4.9
428.88525	0.4
511.23489	0.4
628.93799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	26.0
61.26797	1.2
61.96596	1.0
71.01390	12.3
72.99310	1.3
79.95573	1.2
80.05057	2.3
83.01385	1.2
83.59766	1.0
85.02960	3.5
89.02450	9.4
91.99236	1.0
95.01357	1.5
95.10751	0.9
98.21863	2.1
101.02447	7.0
106.06625	4.0
107.03786	1.3
108.04523	3.0
113.02441	4.1
119.03526	2.8
122.06139	7.6
132.04546	2.0
134.06139	23.6
136.07718	2.7
139.22169	1.0
146.06131	2.8
150.05479	1.2
152.07196	7.0
160.04039	1.4
172.28494	1.1
174.05690	1.3
180.06693	6.4
186.05562	1.4
188.07198	5.6
211.08728	3.0
213.10313	1.7
223.08817	1.3
225.10304	3.7
227.11806	2.0
235.08713	2.0
237.10284	1.9
238.07533	1.8
239.08276	1.3
239.11917	3.3
241.13434	1.4
249.10243	1.6
251.08237	4.2
251.11864	2.7
252.08977	1.9
253.09845	8.5
254.10368	1.2
263.08209	2.4
264.08926	3.5
265.09814	5.3
267.11438	7.4
267.67825	1.0
277.09824	3.8
278.07013	1.1
278.10599	2.1
279.07733	5.7
279.11105	6.6
280.08301	1.2
280.12006	1.4
281.09314	1.4
291.07898	2.2
292.08646	5.1
293.09375	9.3
294.10123	3.0
295.10858	13.9
296.11346	1.3
305.09329	4.3
306.09726	1.3
307.10883	12.0
308.11575	1.4
309.12457	1.7
314.12433	1.6
321.08936	6.9
321.12311	1.9
323.10583	1.3
333.08597	3.0
339.09808	7.1
351.09991	5.2
372.17233	1.4
398.14929	1.6
400.16577	2.9
414.18253	2.7
440.16055	3.9
442.17712	1.7
458.17346	2.5
468.15631	3.7
486.16754	3.5
602.21857	1.6
620.22400	4.8
638.23444	8.1
648.21729	4.6
652.21948	2.0
666.23090	100.0
667.23425	13.5
670.26239	1.5
698.25726	75.3
699.26105	9.3
727.30005	1.6
770.36005	1.3
771.28955	14.2
789.30212	10.7
790.29517	1.1
803.31543	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	821.398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	89.8
61.98833	3.3
65.70465	2.1
71.01386	6.8
73.02946	12.7
73.69062	2.1
77.06281	2.1
79.02525	2.6
82.95431	10.7
83.01407	3.6
84.95124	24.9
85.00443	7.8
85.02996	2.0
89.02410	2.0
96.96014	4.3
98.21785	4.4
101.02446	8.4
115.92141	4.6
116.39948	2.0
116.92873	13.7
119.05040	4.4
121.40015	2.4
135.04507	6.9
139.06931	2.1
149.24825	2.4
160.01601	2.8
161.02470	8.2
163.04071	2.7
175.04054	4.3
179.03584	3.7
197.04695	2.6
261.99854	2.0
427.43057	2.6
444.32553	2.6
455.31717	8.3
469.33276	100.0
470.33545	7.0
485.32870	3.2
487.34280	15.9
529.35583	15.9
573.34265	2.5
673.40228	2.7
691.40479	12.4
733.41901	3.0
809.75983	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	823.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.0
69.35723	1.5
69.36126	2.3
72.99316	7.9
95.16561	0.6
98.22701	1.3
107.01385	1.6
109.02974	1.6
121.02972	1.5
123.04565	4.0
132.02168	0.8
133.02966	11.2
135.00922	0.7
135.04549	12.7
148.01677	1.1
151.00369	4.9
161.02466	67.1
162.02753	1.9
163.00395	1.0
178.99963	3.3
179.03517	10.2
197.04572	15.4
212.35229	0.7
226.02744	0.9
226.25986	0.7
227.03575	0.8
243.03017	4.3
244.03630	1.1
254.02184	1.3
255.02997	14.1
271.02512	30.2
272.02893	1.9
283.04788	4.5
300.02783	63.3
301.03534	30.4
302.03906	1.6
359.07755	29.7
360.08002	2.1
463.08884	100.0
464.09265	8.3
465.09586	0.8
545.35150	0.8
811.12549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95333	2.3
58.95627	1.7
59.01384	65.0
60.89808	1.7
71.01389	32.7
73.02939	6.0
85.02959	8.4
85.80383	1.8
87.00873	14.4
88.36199	1.9
89.02457	45.5
90.98979	2.0
94.12115	1.6
97.02950	3.8
101.02462	35.0
102.27546	1.9
113.02470	16.3
119.03515	9.1
121.66806	2.0
125.02456	3.8
131.03497	3.3
143.03531	9.5
161.04588	6.8
168.99107	2.6
170.92796	2.1
179.05646	20.6
203.05675	3.4
221.06714	12.0
263.07471	2.1
307.12640	2.2
323.09769	2.3
341.10858	8.3
362.67740	2.1
383.11966	38.0
402.36917	2.2
421.07333	4.7
431.59937	2.0
443.14056	7.5
485.15030	6.4
665.21533	100.0
666.21606	4.5
703.16669	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	823.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	54.6
59.79995	2.2
69.89500	2.3
71.01021	3.2
71.01392	38.1
73.02938	7.4
85.02950	7.2
87.00877	9.2
88.63180	2.1
88.98850	2.3
89.02454	41.6
97.03004	2.6
101.02451	39.8
103.02771	2.4
113.02470	17.9
114.23665	2.1
119.03503	9.5
125.02448	3.1
131.03485	3.6
137.78841	2.1
143.03526	7.9
156.99168	2.4
161.04570	5.4
173.11699	2.5
179.05582	20.0
203.05638	5.2
221.06693	10.3
225.69444	2.1
341.10776	8.7
383.11954	37.7
405.09354	4.6
421.06567	5.3
443.13947	5.8
485.15155	4.8
665.21545	100.0
666.21808	6.3
703.16931	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	823.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42014	0.3
72.99316	0.4
78.95918	0.7
79.95745	3.8
85.62341	0.2
96.96021	100.0
106.76009	0.2
109.02988	0.5
133.02968	0.5
135.04546	0.5
146.63910	0.3
177.01881	0.4
179.03508	0.3
185.02461	0.2
267.06534	0.2
321.04120	1.0
339.05179	0.4
457.17075	0.3
513.83368	0.3
547.33759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	47.3
62.43755	54.3
68.19065	43.3
70.64381	85.1
116.92874	94.0
135.04500	100.0
156.27039	42.3
161.02528	53.1
189.84691	44.1
207.21260	47.2
209.11914	93.1
225.11430	77.7
309.20764	61.2
347.68781	53.8
354.82880	45.9
384.64398	57.4
486.46585	49.5
778.16107	58.1
823.41724	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00619	0.1
59.01386	8.2
61.98868	0.2
68.78109	0.1
68.99854	0.1
69.03476	0.2
71.01389	2.3
72.99352	0.3
73.02563	0.2
73.02951	5.4
78.59686	0.1
83.01389	1.1
85.02967	1.2
87.00933	0.1
89.02467	0.9
96.96060	0.3
99.00948	0.2
99.98730	0.1
101.02454	5.2
111.04537	0.1
113.02459	2.1
116.92900	0.1
119.03598	0.1
123.04597	0.1
125.02522	0.5
130.69904	0.1
131.03517	2.4
133.03011	0.3
135.04623	0.3
143.03568	0.3
149.04607	0.2
155.03561	0.1
157.07788	0.1
161.02547	0.5
161.04507	0.5
162.02795	0.1
179.03552	0.4
191.05670	0.2
197.04813	0.1
203.05699	0.4
210.01750	0.1
321.04083	0.2
363.27057	0.1
379.30154	0.4
391.30157	0.4
393.31653	0.3
409.31180	1.3
421.31259	0.4
425.81873	0.1
441.33661	0.1
455.31940	0.1
463.32202	0.2
465.56226	0.1
467.31973	0.2
479.31952	0.1
481.33334	0.2
485.32629	0.2
487.34335	100.0
488.34692	11.9
497.32764	2.0
498.33191	0.2
501.35919	5.6
502.36392	0.6
509.32544	0.8
510.33853	0.1
529.35388	18.4
530.35803	2.4
559.36603	0.7
573.35004	0.5
619.38666	0.3
661.39728	1.4
662.39856	0.2
715.37665	0.1
823.44983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.4
59.01125	0.5
59.01387	8.3
69.50386	1.5
71.01389	4.1
71.07713	0.3
72.99314	1.1
73.02951	0.7
80.43497	0.3
83.01389	0.7
85.02955	1.3
87.00790	0.3
89.02466	3.2
98.22567	0.7
99.00890	0.5
101.02452	5.9
105.81926	0.3
109.02962	0.6
110.95512	0.4
113.02457	2.5
119.03507	1.5
131.03539	5.3
133.02972	2.4
135.04561	1.8
136.04842	0.5
140.30873	0.3
149.04550	0.8
150.03253	0.5
161.02467	2.6
161.04570	0.8
165.05643	0.4
177.01987	0.8
179.03508	0.8
191.05656	2.5
197.04543	0.5
276.63956	0.4
329.06824	0.6
359.07410	0.5
409.31351	0.6
427.32129	0.9
467.32166	0.7
469.33224	2.6
483.34979	0.5
487.34341	100.0
488.34753	9.2
497.32742	1.4
501.36063	3.9
502.36508	0.5
529.35376	18.8
530.36267	1.7
559.36646	1.3
573.34961	0.5
619.38373	1.8
649.39758	1.4
661.39685	2.6
703.40851	0.7
781.43970	7.5
782.44159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
60.99313	17.1
71.01383	1.1
71.77653	0.5
73.02943	1.6
74.44939	0.4
88.98814	100.0
89.99155	0.7
96.96024	0.5
98.21857	0.8
101.02447	1.2
109.02953	0.5
116.92842	0.7
117.62886	0.4
120.65581	0.4
135.04552	1.0
161.02467	0.7
163.04047	0.4
219.01932	0.4
221.32793	0.4
357.33722	0.4
374.19550	0.4
487.34283	8.8
488.34784	0.9
501.36069	0.6
529.35339	2.5
789.92371	0.5
812.17572	0.5
823.93237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08582	2.2
59.01385	36.1
61.98831	2.3
66.27601	2.4
69.76643	1.9
72.99320	3.3
75.31817	2.5
79.95743	3.7
84.06247	2.1
96.03704	2.3
96.96018	100.0
97.95945	4.0
98.22671	6.3
98.95608	32.9
98.96392	4.0
99.92585	23.5
103.00374	24.8
109.93375	2.5
114.94905	3.7
115.92088	4.2
116.92877	31.2
122.06150	2.6
134.06113	6.4
135.04517	3.7
141.93634	4.3
158.93935	4.0
161.02492	4.5
168.45239	2.0
185.92616	4.3
212.10866	3.5
225.06744	4.4
225.10265	4.5
226.07655	2.7
238.07533	6.1
239.08308	5.8
240.09052	5.7
241.09805	5.6
245.50307	2.4
245.62019	2.5
253.09810	9.0
254.10602	3.8
255.11392	35.8
255.13852	3.7
256.12067	2.7
257.12973	3.0
309.03476	2.6
323.01343	3.5
333.03708	2.4
336.02063	4.4
337.02975	14.6
339.04630	2.9
340.05106	5.1
349.03076	2.2
405.01733	3.8
407.03784	2.2
423.02713	3.5
437.03998	2.7
465.03635	3.3
470.84589	2.7
476.03278	5.0
481.07230	5.1
497.07306	2.8
508.05841	3.0
523.04480	3.7
582.10028	2.9
588.71692	2.5
653.25000	2.8
661.17670	5.7
673.14508	2.8
675.15009	2.8
679.18787	4.7
684.27246	2.4
689.16364	3.3
693.16534	8.2
703.19104	14.2
704.19232	2.9
705.15686	13.3
715.15033	3.8
719.14594	3.3
721.20337	16.1
723.17749	22.3
724.16974	3.5
729.16187	2.7
733.16406	4.2
735.17493	4.0
737.15735	6.6
747.17114	9.4
748.17657	2.9
761.15894	3.7
765.18976	9.2
779.16760	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	827.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.3
66.56912	1.5
72.99317	32.1
87.94046	1.3
89.02483	1.6
96.28812	1.5
96.96012	4.6
97.06610	3.4
98.21894	4.9
102.06543	1.5
108.02175	25.2
109.02938	2.3
121.02941	3.0
123.04540	22.0
133.02972	6.2
134.03777	4.4
135.04521	16.3
137.02431	2.8
145.02998	8.3
146.03752	4.2
147.04601	3.0
151.04005	2.8
153.35594	1.5
157.02971	2.9
159.04575	8.5
160.01671	2.3
161.02460	14.5
172.05255	5.4
173.06108	8.0
174.06856	5.4
175.04008	4.5
175.07692	2.5
177.01912	2.0
178.02737	2.4
179.03564	9.7
185.02467	41.1
186.03249	12.0
187.03998	3.3
187.07664	39.3
188.07930	1.8
197.04521	4.2
201.05608	3.0
202.06310	8.8
202.09912	1.6
203.10774	3.5
215.07146	2.0
219.10289	5.5
231.10278	15.9
235.04008	2.7
236.04837	2.6
237.05510	3.0
247.04047	2.7
248.04953	7.8
249.05637	1.9
260.04828	2.4
263.03558	2.0
264.04214	8.2
265.05002	6.4
266.05911	4.2
267.06778	2.6
275.03574	3.4
275.09253	9.2
276.04196	8.4
277.05115	7.8
279.03064	3.9
280.03513	1.6
291.02997	1.9
291.06628	1.6
292.03745	15.5
293.04672	12.2
293.10352	17.1
294.05334	14.4
294.10489	1.9
304.03925	3.2
307.06174	10.9
309.07706	25.4
319.02548	2.4
320.03244	18.2
321.03958	3.7
335.05652	100.0
336.05917	5.8
339.05066	2.1
353.06711	79.9
354.06921	5.9
371.49884	1.7
401.09967	1.7
533.11029	9.3
603.18732	5.4
611.15295	2.3
629.16730	67.4
630.17206	8.4
647.17786	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	827.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	11.3
62.37885	2.0
68.56056	2.0
69.20285	8.8
71.01392	7.3
73.02953	2.4
77.36871	2.2
87.91370	2.1
89.02464	6.9
101.02442	6.1
113.02468	4.9
114.31304	2.1
131.32896	2.7
133.02977	28.1
135.04543	23.1
161.01086	4.7
161.02460	100.0
162.02806	3.3
177.05618	3.3
179.03494	18.6
221.04695	5.1
221.06644	4.0
234.08350	2.1
251.05600	8.3
281.06815	7.5
341.08481	4.1
383.09625	18.5
443.12082	3.4
545.15454	6.2
827.24774	45.7
828.24933	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	827.2683
Annotation	Verbascose
Peak:m/z	Relative Intensity
59.01386	100.0
61.98818	2.8
65.60255	2.1
68.99819	2.8
69.03478	4.4
69.26622	10.1
71.01389	78.3
72.99318	4.2
73.02944	15.1
81.03465	2.5
83.01388	6.3
85.02962	23.3
87.00896	24.7
89.02457	76.1
89.03005	4.4
91.31977	2.2
95.01398	9.8
97.02966	5.1
98.21871	4.0
99.00871	3.9
100.34371	2.2
101.02457	63.7
108.52335	2.2
113.02463	57.4
119.03541	14.2
125.02458	15.3
131.03516	6.2
143.03505	13.6
148.23586	2.0
149.04492	2.2
161.04530	18.6
178.25943	2.0
179.05627	47.8
203.05656	5.2
221.06680	23.3
226.44547	2.3
235.08138	3.0
281.15988	2.2
323.09726	7.0
341.10956	17.7
365.10934	3.9
383.12030	50.7
400.29874	2.5
443.13864	12.1
485.15155	8.1
503.16248	6.7
528.27643	2.2
545.09918	2.9
545.17267	36.6
647.20709	4.4
740.14813	2.2
827.26965	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2682
Annotation	Verbascose
Peak:m/z	Relative Intensity
59.01384	100.0
60.66753	1.6
69.03453	3.4
70.24956	2.3
70.25282	2.5
71.01387	57.7
73.02948	10.9
75.00890	1.9
76.83111	1.5
83.01385	4.9
85.02960	26.8
87.00894	15.1
89.02447	58.6
89.34206	1.9
95.01405	12.2
97.02964	5.9
99.00859	3.0
99.04464	2.0
101.02456	44.0
113.02462	65.6
119.03499	9.3
123.87490	1.7
125.02465	17.9
130.08720	2.2
131.03529	3.8
139.04027	3.2
141.01878	3.1
143.03535	9.6
149.04562	2.4
159.01483	7.2
161.04576	25.2
174.99306	5.0
179.05603	29.8
201.02589	15.2
202.02757	2.7
202.96805	1.8
217.00333	12.1
221.06688	20.6
235.08296	2.6
276.23264	2.0
301.02768	3.0
303.02344	2.2
305.08777	2.5
323.09726	5.6
341.11005	9.9
343.03720	6.5
359.01443	4.2
365.10800	3.2
383.12073	19.8
443.13965	7.2
446.32742	1.8
485.15195	7.4
503.16562	8.4
527.02710	4.5
545.17273	36.3
647.20801	4.2
768.00854	1.9
827.26776	52.2
828.26758	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	827.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01728	0.6
69.48235	1.7
71.01391	6.8
71.63451	0.6
72.99307	4.9
73.02966	1.8
83.01386	1.0
85.02957	3.5
87.00880	0.6
89.02462	2.8
90.92738	0.6
96.96047	1.1
101.02457	5.0
113.02451	3.0
117.03486	3.2
119.03497	1.4
119.05031	1.1
123.04582	1.4
133.02998	2.7
134.03781	1.8
135.04543	12.3
135.05487	0.8
145.02975	14.1
146.03751	0.7
150.03232	0.6
161.02452	7.9
161.04610	1.9
163.04100	1.5
177.02080	0.7
179.03517	5.1
181.05133	1.7
197.04607	5.9
212.38741	0.6
276.53937	0.7
291.33185	0.7
294.05984	0.6
343.08282	5.0
359.08054	1.0
379.21362	1.0
397.22351	5.4
404.30920	0.7
439.23428	7.3
485.32834	1.3
503.33844	13.8
545.35254	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73071	0.7
61.35128	0.6
72.99309	5.6
79.95732	1.5
95.51252	0.7
96.96023	36.0
109.02953	1.5
121.02972	1.8
123.04531	1.8
133.03006	0.9
135.04535	7.4
161.02448	1.1
165.18550	0.8
177.00099	1.8
179.03513	2.3
190.98080	0.7
192.99652	2.1
197.04572	3.1
204.99690	1.2
208.05266	0.9
215.52672	0.8
216.99693	1.9
221.06154	0.9
225.03862	1.0
235.04111	0.9
237.05531	1.8
241.03241	0.8
247.03900	1.1
248.04753	3.0
249.05533	0.8
251.01871	1.0
253.03290	2.5
263.03723	1.2
264.04422	1.5
265.05127	1.8
266.05820	1.5
269.02863	1.5
276.04248	8.3
280.02057	1.6
281.02701	4.5
283.04431	4.5
292.03827	9.5
293.04535	3.2
294.05432	5.3
297.02234	5.2
299.03876	1.2
309.02267	7.8
319.02533	1.6
320.03293	4.0
321.03946	1.8
325.01749	8.8
327.03342	21.1
353.01273	100.0
354.01611	6.7
371.02252	6.1
371.14624	0.8
456.01315	0.9
533.10706	2.2
551.06561	51.9
552.06921	4.7
569.07837	1.7
649.04694	1.4
749.11707	7.3
751.11700	0.9
829.07867	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	829.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
72.99319	0.4
79.95294	0.3
79.95744	3.8
93.68382	0.1
96.96021	100.0
98.21873	0.4
101.02405	0.2
108.02171	0.4
112.98823	0.2
123.04536	0.6
131.88426	0.2
133.02992	0.3
135.04533	1.7
161.02454	0.5
164.86357	0.2
179.03499	0.6
185.02473	1.0
186.03299	0.4
189.85242	0.2
197.04622	0.6
218.44865	0.2
248.04851	0.3
276.04050	0.2
292.03796	0.3
293.04462	0.2
294.05545	0.3
301.46915	0.2
307.06317	0.3
309.07712	0.7
320.03247	0.5
321.04083	0.2
335.05646	1.9
353.06763	1.0
507.12860	0.4
533.10938	6.6
534.11438	0.6
551.12378	0.2
589.06775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
72.99325	0.3
79.95744	3.8
88.98810	0.3
90.51452	0.1
96.60709	0.1
96.96018	100.0
97.95953	0.2
106.42627	0.1
109.02952	1.0
123.04549	0.2
135.04535	0.4
145.03023	0.1
159.04541	0.1
161.02432	0.3
162.58748	0.1
173.02356	0.1
175.03914	0.1
179.03531	0.2
184.01904	0.1
185.02451	1.0
186.03131	0.1
197.04494	0.2
201.01942	0.3
221.06071	0.1
249.05594	0.2
258.53064	0.1
267.06561	0.1
277.05020	0.3
279.02975	0.4
293.04706	0.3
295.06155	1.0
321.04080	2.2
322.04376	0.4
333.20819	0.3
339.05106	0.9
340.05457	0.1
353.01407	0.2
519.09485	0.8
533.10852	0.8
551.06116	0.1
624.82355	0.1
731.16571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41061	0.2
72.99306	0.2
79.95741	3.9
87.17345	0.1
96.96020	100.0
97.95969	0.2
109.02952	1.1
135.04530	0.5
152.65521	0.1
159.04550	0.2
162.00639	0.1
172.97496	0.1
177.84875	0.1
179.03490	0.2
185.02460	0.7
186.03139	0.2
197.04533	0.2
225.05522	0.1
225.27722	0.1
227.91945	0.1
247.06215	0.2
267.06784	0.2
268.34863	0.1
277.05103	0.5
277.96173	0.1
278.05542	0.1
279.02982	0.5
280.03687	0.2
293.04633	0.3
295.06137	1.1
321.04034	1.2
322.04337	0.4
333.00830	0.2
339.05154	1.4
340.05429	0.1
395.78870	0.1
533.10974	4.6
534.11230	0.5
589.07043	0.2
793.47699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.13
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34148	0.6
72.99324	0.3
79.55363	0.1
79.95293	0.2
79.95747	3.9
96.96021	100.0
97.95961	0.3
98.95602	0.3
109.02967	1.2
113.95120	0.1
123.04578	0.2
135.04532	0.2
135.07765	0.1
139.73227	0.1
142.99457	0.1
149.02533	0.1
160.65344	0.1
173.02379	0.1
179.03516	0.4
185.02470	0.6
186.03122	0.1
197.04567	0.2
221.06027	0.2
233.08466	0.3
239.07111	0.1
249.05661	0.2
267.06628	0.2
279.03009	0.4
280.03741	0.2
295.06149	1.2
321.04153	0.9
322.04459	0.2
339.05093	3.4
340.05414	0.3
391.10263	0.3
466.27637	0.1
612.95251	0.1
662.90826	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	829.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.2
62.11113	0.1
72.99310	0.4
79.86610	0.1
79.95744	3.7
81.55460	0.1
96.96019	100.0
97.95946	0.2
98.95594	0.3
109.02962	1.5
123.04577	0.2
126.32296	0.1
131.08330	0.1
135.04521	0.4
141.85187	0.1
145.03061	0.2
149.02455	0.1
159.04565	0.2
170.28802	0.1
179.03500	0.3
185.02461	0.9
197.04620	0.4
220.05238	0.1
225.05814	0.1
249.05638	0.3
265.05191	0.1
267.06506	0.1
267.80435	0.1
269.08371	0.1
277.05099	0.4
279.03027	0.3
280.03827	0.2
293.04623	0.2
295.06085	1.6
296.06540	0.1
303.19849	0.2
312.32611	0.1
321.04034	1.0
322.04227	0.2
333.20682	0.2
339.05103	4.2
340.05432	0.4
347.03754	0.1
353.00873	0.1
391.10379	0.8
519.09253	0.2
557.66895	0.1
643.11359	0.1
741.33154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	61.7
61.98841	3.9
69.05123	17.8
71.01383	4.6
71.66135	2.9
77.18992	3.0
90.32928	3.3
98.22624	6.5
130.43810	2.6
141.00407	3.5
153.00284	3.1
156.98450	6.7
157.03514	3.2
159.01520	7.0
180.98453	33.5
183.00046	5.5
184.97954	5.3
201.02570	35.6
202.02670	6.2
203.02324	6.2
204.98402	3.7
208.97942	12.5
217.00284	12.7
219.27611	3.1
221.98511	3.2
222.99516	41.7
223.99696	4.2
225.00977	4.5
234.97211	4.4
234.99484	56.4
235.99567	6.9
237.01019	12.6
246.99513	8.5
249.01013	12.6
250.01242	3.5
250.99010	11.6
261.01126	4.6
262.98837	5.8
265.00482	14.2
266.00800	3.6
277.00494	14.6
283.01508	9.2
289.00635	8.2
301.02917	7.5
303.02206	3.7
325.02652	38.9
326.02591	3.9
336.95474	4.0
343.03745	19.2
344.03738	8.1
345.03702	6.8
367.03735	4.3
368.62796	4.3
385.04803	6.9
397.04529	4.8
405.08871	10.2
414.67334	3.6
427.05884	12.4
445.06906	42.5
446.06924	4.7
463.08286	16.5
487.08066	100.0
488.08151	9.3
505.09128	25.7
529.09198	11.6
547.10138	84.9
548.10236	11.7
571.09802	6.1
589.11102	62.3
590.11328	4.8
607.12054	5.5
649.12976	11.4
686.98566	4.4
709.15546	15.6
769.17590	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	829.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	80.5
71.01380	51.0
71.41404	5.6
71.53166	3.9
73.02956	9.5
80.74242	4.6
85.02965	10.5
87.00877	8.4
89.02451	40.8
94.50093	4.1
98.99429	11.3
101.02454	42.9
105.08101	4.5
113.00928	4.2
113.02460	25.1
114.98819	4.5
119.03531	5.7
125.02476	6.1
141.00467	29.7
141.01735	19.5
142.00571	4.0
143.03564	9.4
153.00452	19.7
153.01608	7.6
156.98404	4.6
161.04613	6.8
165.01695	7.3
167.02007	6.2
179.05611	14.8
180.98428	16.3
184.97900	4.7
195.01572	8.6
201.02498	13.6
207.01601	6.8
222.99448	21.9
233.08842	4.7
234.99414	22.7
243.03653	14.3
246.99556	4.7
249.01036	7.0
250.98927	4.3
265.00452	8.5
273.04913	4.5
277.00571	7.6
289.00638	5.4
303.05881	4.4
325.02753	25.8
326.02548	4.4
341.10797	9.0
343.03741	6.7
367.03973	6.6
383.11847	27.2
384.12094	7.2
385.05518	6.8
405.09033	84.0
406.09232	6.6
423.09872	14.9
427.07199	31.1
443.13342	4.6
445.07379	24.5
446.07559	6.0
463.08075	6.7
465.11029	17.4
487.08575	100.0
488.08405	9.4
505.09171	11.3
529.09644	6.7
547.10522	62.3
548.11023	6.6
571.10315	7.3
589.11633	45.7
590.11713	8.0
601.13251	4.5
649.13202	6.9
665.21808	38.5
687.19391	28.5
709.16388	10.2
710.15985	5.0
779.27094	5.0
822.54486	5.1
829.26904	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	829.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	39.0
71.01391	13.0
71.54509	0.6
72.99323	1.8
73.02952	39.4
83.01385	8.5
85.02959	2.1
87.00893	0.9
89.02454	2.2
96.95997	3.1
97.02949	1.8
101.02457	21.0
109.02959	1.9
110.40256	0.6
113.02477	3.6
119.03523	0.9
123.04492	0.8
125.02433	0.9
129.00116	0.6
131.03479	1.2
135.04514	1.3
137.86345	0.6
143.03528	0.8
146.42281	0.6
149.04544	1.0
161.02455	1.4
161.04575	1.8
185.02409	1.3
197.04555	1.3
198.21150	0.6
200.04941	0.6
203.05519	0.6
229.12318	1.0
244.14760	3.3
255.17509	1.1
264.69275	0.7
271.17041	4.6
273.18634	35.0
274.18869	1.1
279.02951	0.7
283.17133	1.5
285.18625	13.3
295.05945	1.0
301.18091	9.5
302.18805	1.5
303.19684	26.0
304.19955	1.2
315.19690	2.8
321.04065	2.4
331.19098	1.6
332.19901	12.7
333.20721	60.1
334.21039	2.5
339.05115	1.1
477.24496	0.8
519.25909	0.7
537.27173	1.8
681.30298	0.9
690.70123	0.8
699.32599	3.3
741.33447	100.0
742.21454	1.0
742.33722	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	831.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
59.08325	0.3
65.45195	0.3
72.57185	0.3
72.99318	3.2
74.26372	0.3
79.95744	4.5
81.95318	0.9
86.38319	0.3
96.96022	100.0
97.95954	2.5
97.96497	0.4
98.95605	32.4
98.96436	5.6
99.92592	2.8
100.93378	0.7
108.02204	1.0
109.02943	0.5
112.98817	0.8
115.92078	0.4
116.92927	0.4
119.05035	0.4
121.02963	0.5
123.04525	1.4
133.02058	0.3
133.02975	1.1
134.03752	0.4
135.04555	3.1
136.04892	0.3
145.02983	1.0
146.03804	0.4
147.04439	0.4
149.02457	0.3
151.04095	0.3
155.95477	0.3
159.04524	0.5
161.02509	2.1
163.04019	0.4
165.01959	0.5
175.04022	0.3
179.03485	1.4
185.02461	1.4
186.02942	0.5
197.04572	1.2
204.95970	0.8
205.96700	0.5
215.95198	0.4
217.96782	1.5
218.97585	0.8
219.98354	0.7
232.95526	0.6
233.96255	2.4
234.96883	0.5
235.97894	0.4
261.95822	1.3
263.06815	0.3
266.05917	0.4
292.03564	0.5
293.04544	0.6
293.99960	0.6
294.05133	0.4
295.05606	0.4
309.07663	0.9
310.08029	0.5
323.00186	0.8
324.00934	0.4
333.99518	0.5
335.00067	0.5
335.05527	0.9
336.01025	1.8
336.06058	0.8
339.05475	0.3
344.01300	1.7
348.98065	0.4
352.00443	3.3
353.06738	1.0
354.07004	0.7
354.99030	0.5
359.07880	0.7
360.00912	1.3
369.00836	0.4
379.99896	0.9
387.09378	0.4
388.00577	0.4
450.02316	0.4
451.02829	0.6
452.03253	0.5
468.02942	0.7
470.04288	0.5
512.05316	0.4
527.04645	0.6
528.05615	1.1
533.10864	3.6
534.11609	1.9
535.11713	2.5
572.04169	0.8
617.04572	0.4
633.03882	0.7
707.08856	0.7
751.07074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
72.99310	6.8
73.02961	0.9
96.96009	8.5
98.95616	2.3
101.02459	1.2
103.42789	0.8
108.02179	1.4
109.02967	41.5
117.03438	1.1
120.71394	0.8
121.02936	2.4
123.04511	2.3
133.02959	9.6
135.04538	10.7
145.02972	1.6
147.04532	1.8
149.02483	6.4
150.03186	2.7
151.04095	0.9
157.02962	1.3
159.04518	1.9
161.02463	25.4
161.04498	1.1
173.02386	2.2
174.03244	1.0
175.04070	1.0
179.03491	5.2
185.02463	23.9
186.03220	8.1
191.03444	0.9
193.06609	2.3
197.04518	6.0
197.06102	1.0
209.06094	3.0
219.04486	1.0
220.05255	1.5
221.06104	4.9
223.04095	1.4
224.04849	1.9
225.05638	4.1
236.04793	1.2
237.05614	3.2
239.07097	2.3
247.03993	2.6
248.04768	3.4
249.05606	10.5
250.06311	1.4
251.03618	5.2
251.05888	0.9
251.07111	1.0
252.04254	3.0
253.04929	1.2
264.04361	1.4
265.05026	6.2
266.05795	1.6
267.06644	8.4
275.03348	0.9
276.04233	3.1
277.05099	14.8
279.03043	22.1
280.03799	10.1
283.06021	1.9
292.03659	1.3
293.01233	1.0
293.04575	18.1
294.05173	1.7
295.06155	26.4
296.06512	1.9
303.03021	2.0
311.05576	11.6
319.02304	1.5
321.04077	81.2
322.04568	5.8
323.75906	1.2
329.06757	7.5
335.22351	10.2
339.05121	100.0
340.05405	4.8
359.07654	6.4
471.07269	3.6
473.08829	2.3
491.09781	3.0
509.10950	8.2
519.09418	21.7
651.11609	1.3
669.12354	5.8
743.34961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88420	0.9
70.72143	1.0
71.41227	1.2
72.99303	6.0
75.54338	0.9
84.15386	0.9
96.96023	11.7
98.95602	2.9
108.02209	1.4
109.02969	36.2
121.03027	1.3
123.04527	3.5
133.02968	9.7
135.04536	17.5
145.02953	1.5
145.52531	1.0
147.04518	2.0
149.02478	6.5
150.03235	3.3
159.04523	1.3
161.02461	27.0
173.02458	2.8
174.03174	1.0
179.03534	6.8
185.02451	24.8
186.03224	6.4
191.03502	1.2
193.06641	1.7
197.04561	6.5
197.06099	1.3
201.01926	1.1
209.06087	3.8
213.01958	1.1
221.06152	5.5
223.03922	1.4
224.04810	2.2
225.05525	3.4
235.03871	1.0
237.05544	3.6
239.07159	3.3
245.47832	1.1
247.03938	1.8
248.04762	3.9
249.05540	11.8
250.06357	1.5
251.03502	6.8
252.04164	2.8
264.04147	2.0
265.05103	9.7
266.05969	2.2
267.06619	7.9
275.03561	1.9
276.04129	2.4
277.05060	14.0
279.03015	21.1
280.03677	6.3
283.06058	1.8
292.03540	1.7
293.04587	17.6
294.05194	3.2
295.06143	23.8
296.06561	1.5
303.02966	2.4
304.03333	1.1
311.05704	7.3
319.02548	1.6
321.04068	100.0
322.04575	8.0
339.05127	73.1
340.05338	2.4
359.07791	6.6
453.06357	1.2
471.07208	8.4
473.08655	6.4
509.10959	4.6
519.09454	20.4
651.11426	1.7
831.15338	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.6
68.99832	2.4
69.40293	5.2
72.99312	20.7
84.99324	1.3
87.00886	18.5
96.96033	7.0
101.92728	1.6
103.00421	2.2
109.02982	2.1
111.00896	5.9
112.98824	14.8
117.03471	8.3
119.05039	47.9
120.92928	1.4
121.02987	3.7
123.04556	2.7
127.00421	3.8
130.99901	6.6
131.05042	1.6
132.02214	1.9
133.02985	4.9
134.03758	49.3
135.04553	9.3
136.01695	2.0
137.02419	1.9
139.04047	2.2
143.05070	3.0
145.02983	28.5
147.04532	22.1
148.01651	1.4
149.00958	16.6
149.06131	10.1
151.04128	2.7
154.99901	1.8
159.04517	2.3
160.01692	8.0
161.02467	16.6
161.06085	7.1
162.03250	8.8
163.04025	26.7
163.05368	1.7
165.01968	3.9
171.04529	2.0
174.03162	1.9
175.04030	27.2
176.04739	4.7
177.05606	2.9
177.12279	1.2
178.02718	4.4
179.03511	3.1
185.02513	1.7
189.05588	3.9
190.02727	7.6
191.07152	4.5
193.05078	31.0
197.04538	2.4
202.02760	3.1
203.03535	56.7
204.04022	2.7
205.05057	10.4
215.03510	9.3
218.02220	3.7
230.02199	2.6
233.04573	42.8
235.06047	2.0
238.28406	1.4
245.04521	4.6
259.02390	2.1
259.20157	1.4
277.03561	100.0
278.03900	4.3
286.14474	1.5
289.03690	3.4
295.04575	11.3
307.04636	85.5
308.04929	2.5
325.05707	21.5
339.04865	2.2
339.13663	1.8
342.18173	1.5
359.07559	3.5
387.09320	3.3
850.96271	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	831.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83018	0.9
59.01377	2.1
65.00324	1.6
68.99816	3.9
72.99318	14.1
84.99277	1.8
87.00874	8.4
93.03476	0.9
111.00838	4.1
112.98827	19.8
117.03499	5.0
119.05038	45.5
120.05407	1.4
121.02961	3.8
123.04539	2.5
127.00383	2.5
129.03490	1.4
130.99890	3.4
131.05026	1.3
132.02205	1.9
133.02974	2.5
133.06555	1.1
134.03755	26.5
135.04532	2.6
143.05031	2.8
145.02977	24.5
147.04550	15.6
148.05222	1.1
149.06120	7.9
159.04506	1.7
160.01671	8.5
161.02480	12.1
161.06143	5.3
162.03246	9.7
163.04008	15.5
171.04521	2.0
175.04025	24.6
176.04611	2.8
177.05585	4.6
178.02698	3.5
186.03410	1.1
189.05589	3.7
190.02699	5.9
191.07083	4.1
193.05096	12.4
197.04495	1.1
202.02669	2.6
203.03525	47.8
204.03903	2.8
205.05055	8.1
215.03531	9.2
218.02209	3.0
219.06686	2.8
230.02225	3.5
233.04553	39.6
234.04901	1.7
235.06169	2.5
245.04611	2.7
248.03418	1.1
259.02444	2.7
262.67203	0.8
263.05630	1.2
277.03552	100.0
278.03885	4.7
289.03589	2.7
307.04636	83.8
308.04935	3.0
359.07629	2.4
471.09561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.03485	0.8
69.27814	2.3
71.01385	15.5
72.99314	8.5
73.02953	36.6
83.01395	8.3
85.02977	3.2
87.00961	0.8
89.02447	7.0
95.01404	1.1
96.96004	6.4
98.95593	3.1
98.96497	0.6
101.02451	29.1
103.04103	0.6
107.05024	0.6
109.02997	0.7
112.98828	1.2
113.02469	11.1
119.03508	3.3
123.04568	3.3
125.02474	0.8
127.82353	0.6
131.03511	2.8
132.02193	1.4
133.02975	1.1
134.03749	2.6
135.04538	37.0
143.03534	3.6
149.04564	5.3
155.03493	1.5
160.01649	9.4
160.02812	0.7
161.02513	3.0
161.04576	9.6
175.04030	15.0
179.03511	11.0
179.05081	0.6
197.04552	12.4
203.05727	1.7
221.06770	2.0
252.79604	0.6
359.07709	0.8
373.09332	6.9
413.22046	2.3
553.13916	0.6
562.57220	0.6
652.62115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.4
72.99310	2.2
79.95750	3.5
87.00888	0.3
96.96022	100.0
97.95966	0.2
101.25597	0.2
105.01384	0.2
109.02971	0.8
112.98833	1.7
119.05043	0.7
123.04540	0.7
133.02959	1.5
134.03748	0.9
135.04546	4.9
136.04926	0.3
145.02982	0.5
147.04536	0.4
149.06076	0.3
153.01949	0.9
161.02463	8.5
162.02901	0.4
163.04042	0.3
165.01874	0.2
165.43402	0.3
175.04019	0.7
176.04430	0.2
179.03500	2.4
185.02469	0.2
193.05054	0.4
197.04570	2.8
203.03508	0.7
204.03851	0.3
223.07703	0.4
233.04553	0.7
234.04863	0.3
251.07097	0.3
277.03513	1.5
278.03836	0.8
279.04092	0.3
295.06116	0.8
307.04675	1.1
308.04941	0.6
309.04962	0.2
313.07098	0.4
321.03989	0.6
339.05124	1.5
357.06216	0.5
359.07748	9.7
360.08133	0.6
399.09540	0.7
453.77029	0.2
493.11951	0.3
519.09351	3.2
537.10046	0.3
662.57617	0.2
689.69714	0.2
717.15094	1.0
735.15912	0.3
863.01422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.4
60.06989	0.5
71.01390	1.0
72.99313	12.1
76.85474	0.6
84.86127	0.5
85.02990	0.7
89.02454	0.8
89.03962	0.7
95.05009	0.6
95.66145	0.5
96.96028	1.1
101.02454	1.3
105.03471	0.7
107.05044	1.2
107.83245	0.5
109.02966	3.9
112.98832	0.5
113.02417	0.7
117.03499	1.3
121.02950	1.0
123.04536	5.5
132.02182	1.5
133.02972	26.1
134.03769	4.6
135.04539	80.3
136.04886	1.7
137.02483	0.6
147.00920	0.5
149.02483	2.9
150.03253	0.6
151.04015	1.6
160.01642	1.0
161.02458	100.0
162.02867	2.7
177.01962	3.9
179.03510	35.6
180.03810	0.7
185.02432	0.6
197.04565	15.4
198.04968	0.6
221.06200	0.5
223.07721	0.7
225.11234	0.9
239.07137	0.8
265.05066	0.7
267.06662	5.2
283.06165	1.0
293.04556	1.8
295.06000	0.7
311.05627	9.7
313.07220	5.1
321.03989	1.2
323.07730	4.3
329.06525	2.0
341.09238	4.2
359.07596	31.3
360.08066	1.4
447.10870	0.7
473.10443	0.6
475.12003	0.7
485.10611	1.1
491.09900	10.3
492.10464	0.8
509.10770	0.9
521.12958	8.4
614.41803	0.6
628.76215	0.6
648.88702	0.5
683.15887	1.2
787.43848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.4
69.24712	1.3
71.01382	0.8
72.99315	16.1
73.02962	0.4
76.09888	0.2
85.02966	0.4
87.00858	0.4
91.05479	0.2
96.96026	0.5
98.21802	0.2
101.02435	0.7
103.82850	0.2
105.03472	0.2
107.05056	0.3
109.02957	0.4
112.98821	1.7
113.02447	0.4
113.99129	0.3
117.03484	0.4
119.05021	0.9
120.05372	0.6
123.04537	6.6
124.04874	0.2
132.02174	0.7
133.02971	19.6
134.03784	1.3
135.04539	17.7
136.04866	0.7
145.02965	0.7
147.04544	0.4
149.06096	0.5
151.04060	0.5
160.01666	0.5
161.02460	100.0
162.02794	2.5
163.04012	0.9
175.03999	0.7
176.04367	0.3
179.03514	13.8
180.03792	0.5
189.50049	0.2
193.05077	0.5
197.04562	20.5
198.04929	0.7
203.03488	1.2
204.03790	0.6
215.03459	0.3
222.05382	0.2
223.02542	0.3
233.04567	0.8
234.04935	0.4
235.05284	0.3
277.03534	1.3
278.03949	1.3
279.03998	0.8
307.04617	2.2
308.04996	1.3
309.05121	0.6
311.11295	0.3
326.06177	0.3
359.07748	42.7
360.08029	2.0
369.19189	0.6
387.20087	1.1
429.21381	1.3
430.40439	0.2
443.13498	0.2
564.65576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.4
69.24712	1.3
71.01382	0.8
72.99315	16.1
73.02962	0.4
76.09888	0.2
85.02966	0.4
87.00858	0.4
91.05479	0.2
96.96026	0.5
98.21802	0.2
101.02435	0.7
103.82850	0.2
105.03472	0.2
107.05056	0.3
109.02957	0.4
112.98821	1.7
113.02447	0.4
113.99129	0.3
117.03484	0.4
119.05021	0.9
120.05372	0.6
123.04537	6.6
124.04874	0.2
132.02174	0.7
133.02971	19.6
134.03784	1.3
135.04539	17.7
136.04866	0.7
145.02965	0.7
147.04544	0.4
149.06096	0.5
151.04060	0.5
160.01666	0.5
161.02460	100.0
162.02794	2.5
163.04012	0.9
175.03999	0.7
176.04367	0.3
179.03514	13.8
180.03792	0.5
189.50049	0.2
193.05077	0.5
197.04562	20.5
198.04929	0.7
203.03488	1.2
204.03790	0.6
215.03459	0.3
222.05382	0.2
223.02542	0.3
233.04567	0.8
234.04935	0.4
235.05284	0.3
277.03534	1.3
278.03949	1.3
279.03998	0.8
307.04617	2.2
308.04996	1.3
309.05121	0.6
311.11295	0.3
326.06177	0.3
359.07748	42.7
360.08029	2.0
369.19189	0.6
387.20087	1.1
429.21381	1.3
430.40439	0.2
443.13498	0.2
564.65576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.9
61.98823	0.7
69.07040	0.6
69.07448	1.8
71.01359	1.2
72.99286	1.0
74.11967	0.3
85.02975	0.4
89.02451	0.8
101.02468	0.5
109.02947	0.7
113.02425	0.6
133.02979	1.5
134.03755	0.4
134.06129	1.8
135.04558	2.6
136.04892	0.3
149.02438	0.3
158.02513	0.6
159.05667	0.4
161.02463	3.6
162.02782	0.4
179.03522	1.2
185.02362	0.5
190.05106	3.1
192.06639	0.4
197.04547	0.6
198.09230	2.4
202.08698	0.5
208.33958	0.3
212.05943	0.9
223.08817	0.7
225.06613	0.8
226.07434	1.9
228.09027	3.0
239.11925	11.8
240.09216	0.4
240.12263	0.7
241.09848	70.4
242.10184	1.9
243.11420	1.4
249.05458	0.4
250.05849	0.4
255.11386	1.7
256.12198	40.2
257.12524	1.8
267.06332	0.4
300.11200	9.0
305.08817	0.4
309.09009	0.4
315.13535	100.0
316.13864	3.5
321.03986	0.9
337.12021	3.6
339.05051	0.5
354.72986	0.4
359.07672	0.6
374.22354	0.3
450.80490	0.3
517.18329	15.8
518.18988	1.6
725.28455	1.9
757.31604	1.3
761.32367	0.4
833.32861	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
73.72457	0.2
77.57012	0.2
95.52480	0.2
112.81332	0.2
129.80165	0.2
132.65866	0.2
133.80586	0.2
182.17659	0.2
200.08405	0.2
201.09221	2.1
202.09648	0.2
203.10774	0.2
214.10086	0.9
215.01067	0.2
227.10777	0.2
228.11391	0.3
262.80490	0.2
269.15604	0.2
270.16168	0.4
279.23334	0.2
282.16254	0.4
283.16922	0.9
284.17685	0.7
285.18628	58.5
286.18939	2.4
308.08295	0.2
314.18997	1.6
315.19662	100.0
316.16711	0.2
316.20016	4.4
336.81696	0.2
366.71320	0.2
379.02640	0.2
496.01639	0.2
504.31207	0.3
601.11902	0.2
812.84558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.6
69.25214	1.8
71.01405	0.6
71.56820	0.3
72.99315	17.7
96.96033	2.3
98.95604	1.0
101.02451	0.5
105.03480	0.4
107.05100	0.7
109.02950	0.7
123.04540	6.5
132.02197	1.0
133.02974	20.8
134.03685	0.5
135.04541	16.8
136.04968	0.4
147.11893	0.3
161.02461	100.0
162.02806	3.4
179.03523	14.7
180.03873	0.4
197.04568	21.6
198.04832	0.4
223.02490	0.6
318.42862	0.3
359.07758	48.6
360.08237	2.8
371.20532	0.4
389.21899	0.8
431.22977	1.2
469.87897	0.3
475.09052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.8
67.35835	0.6
69.93676	0.6
70.47662	0.9
70.47990	0.8
71.01366	1.0
72.99316	1.3
79.95763	1.0
84.93896	3.2
85.02962	0.6
88.21797	0.7
96.96021	33.1
97.95963	0.9
98.95600	10.5
98.96450	1.8
99.04518	1.2
99.92592	23.5
100.93371	24.1
101.02442	1.4
109.02966	0.8
114.93423	0.8
114.94956	1.0
115.92088	22.4
116.92873	100.0
117.92886	2.7
119.77340	0.6
125.02446	2.1
126.94900	1.0
128.92862	1.3
130.19147	0.6
133.02963	0.8
135.04550	1.6
137.02383	0.7
140.92847	0.9
141.93645	1.9
142.94438	5.3
154.94429	3.6
156.92387	0.9
158.93922	1.0
161.02481	3.5
170.93959	1.9
179.03484	1.1
184.91855	2.7
184.95477	1.3
185.92653	1.3
196.95485	1.7
212.94992	6.2
214.20135	0.6
219.02751	0.8
224.94972	1.5
242.96039	9.1
243.96724	1.4
260.97162	1.0
284.97107	1.1
302.98120	1.0
328.96329	0.9
346.97110	2.0
403.71280	0.7
487.34323	3.0
529.35382	3.3
731.31183	0.9
774.56506	0.8
778.34082	0.7
791.33289	2.5
835.32159	37.7
836.32422	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	835.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	57.2
71.01391	28.2
72.99295	2.7
74.25429	1.6
80.05070	5.9
83.01369	1.7
83.63558	1.5
85.02945	5.3
87.00858	1.6
89.02459	23.3
95.01408	2.4
99.00861	1.7
101.02463	15.3
104.05098	2.0
106.06646	9.9
107.03791	2.3
108.04562	2.3
113.02483	10.9
119.03543	8.3
119.68029	1.3
121.05378	3.3
122.06132	22.0
130.06602	1.8
132.04550	2.7
133.02989	1.4
134.06137	55.5
135.04532	2.8
136.07716	2.4
141.56694	1.4
146.06110	3.6
148.04121	3.2
150.05617	1.4
152.07201	12.9
158.02441	1.5
160.04021	1.6
161.02405	4.3
174.05606	3.4
179.03566	2.0
180.06642	4.3
188.07201	4.1
190.05193	2.8
200.64880	1.3
211.08769	2.5
213.10362	10.3
222.07904	1.5
223.08781	3.1
223.35295	1.4
224.09499	1.8
224.47792	1.5
225.10356	7.5
226.11017	3.1
227.11852	3.4
232.92470	1.4
237.10316	5.0
238.07489	1.4
239.08249	2.2
239.11876	15.6
241.13541	7.1
245.05646	1.5
248.09695	1.7
249.10324	6.0
250.07382	2.0
251.08202	5.4
251.11928	6.5
252.09016	5.1
253.09853	9.4
261.10168	1.8
263.08224	7.1
264.08966	3.3
265.09903	6.7
266.10544	2.6
267.11322	7.4
277.09824	12.7
278.07077	3.1
278.10599	11.2
279.07785	9.1
279.11169	10.9
280.08804	1.4
280.70227	1.3
285.12500	16.7
289.09723	2.1
291.07858	3.3
291.11270	4.9
292.08392	3.2
293.09378	15.3
293.12622	1.8
294.09991	6.4
295.10938	11.3
305.09204	3.6
306.10150	2.4
307.10873	7.8
309.12381	4.1
314.12497	3.4
321.08987	2.5
321.12521	1.5
339.09799	3.6
340.14780	3.0
343.13184	1.8
351.09894	3.0
356.13901	2.0
356.17816	3.6
357.14706	1.6
358.15549	8.7
368.14188	1.5
370.11700	3.0
370.15659	3.3
372.17307	2.8
382.15433	2.1
384.13544	5.5
385.14453	3.9
398.14951	2.9
400.16687	15.8
401.17331	2.2
410.15207	3.2
412.16678	6.2
416.20068	1.6
424.16580	2.2
425.17416	3.2
444.15118	2.5
470.48630	1.7
486.16727	5.1
502.16156	2.1
505.22690	1.5
547.22894	1.5
609.23236	2.3
611.93756	1.6
620.22864	2.1
621.23273	1.8
638.23633	8.6
640.25165	2.1
641.26379	3.5
648.21942	3.6
649.22260	6.1
666.23248	19.4
673.28845	4.8
680.24591	9.3
681.25940	2.8
685.28345	3.3
698.26135	5.9
712.27222	17.1
727.29907	22.2
728.30487	1.8
759.31915	3.6
771.28912	93.8
772.29266	7.5
803.31519	100.0
804.32031	9.1
835.34167	69.3
836.34094	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	835.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.6
69.62907	4.4
69.63297	3.5
71.01400	9.6
71.68092	1.7
78.04717	1.7
85.02974	2.1
87.81160	1.6
89.02473	7.2
101.02450	3.8
106.06628	5.3
113.02467	3.5
119.03456	2.2
120.04494	1.9
120.08187	2.0
122.06132	7.3
134.06137	16.5
135.79935	1.8
152.07149	4.8
175.07095	1.8
179.90935	1.7
180.23889	2.0
193.26474	1.6
199.78271	2.0
213.10373	6.0
237.10434	2.1
239.11879	3.4
241.13440	2.8
251.08008	2.7
251.11874	3.2
252.09262	2.0
253.09824	2.4
265.09900	4.9
267.11490	3.6
277.09839	3.6
278.07126	2.6
278.10623	3.9
279.07773	4.3
279.11252	4.5
285.12463	6.1
291.11194	1.7
293.09253	6.7
295.10831	2.7
305.09299	2.4
307.10852	4.7
337.08444	1.9
339.10007	1.9
372.88889	2.0
395.88672	1.8
398.15152	2.7
400.16809	4.3
412.16733	2.4
469.34711	2.1
486.16550	2.7
638.23657	5.0
648.22467	4.2
666.23126	25.5
680.24872	3.1
712.26825	8.0
727.29871	7.8
771.28986	50.0
803.31543	100.0
804.31659	5.4
835.34302	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	835.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	32.2
67.79961	1.1
69.20197	2.9
69.20596	4.3
71.01393	13.2
85.02970	4.9
87.00900	2.1
89.02453	10.0
92.05117	1.1
95.01405	1.5
98.22594	2.8
101.02465	6.1
101.16265	1.0
106.06657	3.3
107.03779	1.5
108.04533	1.2
113.02454	3.5
119.03519	3.6
122.06132	7.9
132.04613	1.7
134.06137	27.0
136.07634	1.3
146.06111	1.4
152.07187	5.1
160.04129	1.8
174.05675	1.4
180.06670	2.5
186.05507	1.2
188.07187	2.3
201.08145	1.2
209.11865	2.6
213.10474	5.5
219.26935	1.1
225.10411	2.5
227.11842	1.3
236.09541	1.5
237.10405	2.5
238.07396	1.3
239.08202	1.3
239.11951	2.7
241.13637	2.4
249.10558	1.7
250.07623	2.7
251.08223	3.3
251.11905	2.3
252.08997	3.0
253.09875	3.7
254.10625	1.4
263.08243	3.5
263.11450	1.0
264.08954	1.9
265.06253	1.4
265.09808	5.0
267.11417	5.6
277.09827	4.7
278.06979	5.8
278.10556	2.7
279.07770	9.4
279.11386	6.7
285.12469	5.9
289.09628	1.2
291.07855	2.2
292.08447	2.8
293.09375	20.1
293.12576	1.6
294.10043	7.9
295.10788	6.9
305.09320	1.6
306.10153	4.5
307.10922	5.5
309.12589	3.8
314.12411	1.7
321.08795	2.6
321.12466	1.4
337.08374	4.8
339.09766	2.7
351.09705	2.4
358.15707	2.0
370.11856	1.5
372.17435	1.2
384.13416	2.7
385.97205	1.0
400.16632	3.6
433.19992	1.5
442.17886	1.4
458.17157	2.1
468.15680	1.4
486.16479	2.6
502.15802	1.7
504.17746	1.9
620.21686	2.9
621.23401	2.7
638.23633	5.1
648.21924	3.1
665.22412	1.8
666.23053	32.6
667.23816	1.9
680.24762	12.9
698.26221	3.0
712.27246	49.4
713.27802	2.5
727.29907	5.2
771.28815	39.4
772.29395	4.1
803.31561	100.0
804.31952	8.7
835.34161	24.9
836.33594	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	835.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	1.4
59.01384	26.5
70.75469	1.0
71.01387	16.4
72.99300	2.3
73.02934	0.9
80.05077	2.6
85.02969	3.0
87.00904	1.3
89.02453	9.6
90.50870	0.7
95.01416	1.1
96.96021	4.8
101.02464	6.8
104.05065	1.6
105.03479	1.0
106.06628	5.1
106.53185	0.8
109.02995	1.8
113.02461	4.5
119.03545	1.6
122.06126	8.3
130.06683	1.1
132.04561	2.3
133.03008	4.5
134.06136	21.2
135.04547	2.5
136.07707	1.4
137.02428	1.2
138.12625	0.8
146.06114	1.6
148.04099	0.9
150.05630	1.3
152.07175	4.1
154.17810	0.8
160.03973	1.4
160.06421	1.9
161.02417	3.8
161.04677	1.1
174.05618	1.4
175.04015	1.0
177.01962	1.4
180.06656	1.6
186.05588	0.9
188.07158	2.2
190.05074	2.1
211.08800	1.4
213.10320	6.8
225.10416	2.9
226.11159	1.3
227.11885	2.0
235.08742	1.0
237.10294	1.8
239.11969	3.9
241.13496	3.2
248.09586	0.9
249.10371	2.2
250.07556	1.3
251.08301	3.1
251.11943	3.8
252.09018	2.7
253.09830	5.0
263.08313	3.0
264.08936	1.9
265.09854	4.2
267.11292	5.0
277.09732	5.5
278.06955	2.4
278.10626	3.3
279.07770	4.7
279.11386	6.0
285.12473	7.8
289.10144	1.0
291.07819	1.4
291.11359	0.8
292.08435	3.5
293.09415	10.9
293.12589	0.8
294.10092	1.9
295.10739	6.0
299.05579	1.2
305.09198	2.9
306.10281	1.5
307.10916	6.3
309.12357	1.0
314.12595	1.5
321.08768	2.8
337.08163	2.0
337.11969	1.0
339.09891	4.2
340.14471	1.1
342.12384	1.2
351.09851	3.7
355.13870	0.9
356.13837	1.0
357.15182	0.9
358.15515	2.7
359.08313	1.1
384.13464	1.9
385.14087	1.2
398.15268	2.2
399.15881	1.3
400.16708	5.4
410.15179	1.2
412.16650	2.9
424.16727	1.1
438.14261	0.9
440.16217	1.7
442.17719	1.2
444.15515	1.0
449.53043	0.9
458.17206	2.1
468.16083	1.6
475.17938	0.9
477.81558	1.0
486.16586	2.7
487.17645	1.1
517.18372	1.3
620.22607	3.1
621.22986	1.3
628.84589	0.9
638.23523	6.8
648.21674	3.8
649.22046	1.9
666.23077	27.1
667.23529	2.2
680.24475	4.2
698.25885	2.3
712.27448	7.2
727.30042	6.1
768.32782	0.8
771.28821	45.4
772.29083	3.6
803.31537	100.0
804.32031	10.1
835.34247	23.8
836.34235	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	835.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	24.3
70.71211	4.3
71.01385	10.4
72.99316	3.9
73.37063	2.0
75.81834	2.0
82.78079	1.9
84.32995	2.0
89.02448	4.4
95.05029	1.9
96.96022	2.9
99.36471	2.2
101.02457	8.0
106.06624	4.0
109.02943	4.6
113.02431	3.2
122.06118	8.1
133.02975	5.6
134.06139	17.6
135.04547	14.6
152.07184	3.8
161.02489	14.8
162.02737	2.7
179.03537	4.4
197.04509	2.8
213.10353	6.7
239.11906	6.8
241.13495	8.7
245.12892	3.5
251.12059	2.0
272.40646	2.5
285.12430	5.4
317.15158	13.2
321.03998	3.5
355.97873	2.1
359.07806	2.6
387.03860	2.1
390.18311	3.0
400.16681	3.3
416.15842	3.2
444.19504	2.8
458.17181	2.9
666.23395	2.4
739.16650	3.2
771.28711	5.1
803.31531	100.0
804.31915	9.1
835.34052	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	836.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49622	0.7
61.98837	100.0
64.50722	0.7
77.90379	0.6
82.47627	0.6
99.66746	0.5
107.34740	0.7
256.26746	0.6
301.18246	0.6
306.05338	0.5
321.02649	0.5
557.56158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	12.6
67.33423	5.4
71.41979	4.7
72.99313	16.7
90.33431	4.9
116.92876	7.8
133.02979	30.9
135.04576	17.4
161.02461	92.8
179.03555	9.7
223.46664	6.3
388.98694	5.7
446.84836	6.0
491.15955	8.7
579.13745	100.0
580.14276	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	839.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.1
61.98835	1.0
69.79409	0.4
70.34051	0.5
71.01385	1.5
72.04968	0.4
72.99324	0.9
73.02943	0.8
77.03975	3.1
78.18150	0.5
81.03490	0.6
88.98810	1.0
89.02560	0.5
89.03986	2.1
93.03477	1.4
95.05040	7.1
101.02464	1.7
101.10666	0.4
105.03475	23.4
109.02961	15.2
113.02478	1.0
117.03477	1.2
121.02976	2.5
123.04538	2.4
124.98585	0.4
125.16788	0.5
132.02162	0.9
133.02975	100.0
134.03279	2.4
135.04544	3.0
145.02979	1.2
149.02473	1.8
150.03262	0.9
151.04068	1.3
161.02454	6.1
162.02791	0.5
165.01978	0.7
165.05644	0.8
175.03966	0.8
177.01955	75.1
178.02292	1.2
179.03510	1.5
189.01935	0.5
193.01443	0.6
193.06560	0.5
197.04504	1.0
211.07811	1.0
217.04991	0.6
221.06081	1.4
222.06847	0.6
237.05617	0.5
238.06342	0.7
239.07237	2.5
249.05675	0.7
250.06389	1.9
265.05032	0.5
266.05933	0.7
267.06653	11.8
311.05560	1.1
355.04407	0.9
359.07727	0.9
455.31653	0.7
503.33771	6.9
545.34436	1.4
631.37408	0.7
643.37103	0.5
649.37903	1.1
677.39099	0.8
684.39758	0.7
852.41284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	0.8
99.92600	12.3
103.67433	0.6
114.93375	0.9
116.92876	100.0
116.97212	1.0
117.92875	2.8
272.52866	0.8
438.54602	0.6
697.06689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.5
68.99261	0.2
70.26572	0.3
88.04150	0.3
98.21861	0.4
99.92592	9.4
114.93433	0.6
116.92873	100.0
117.01978	0.4
117.92879	2.3
122.45656	0.3
135.73036	0.3
183.18262	0.3
201.61948	0.3
611.73535	0.3
666.49445	0.3
685.07477	0.4
776.58984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60495	0.3
61.98838	100.0
65.70110	0.3
69.87879	0.3
71.42431	0.4
71.44897	0.3
78.03884	0.4
90.91443	0.3
135.04617	0.4
146.75139	0.4
151.38976	0.5
161.02547	0.4
176.68768	0.3
183.53725	0.3
199.16167	0.3
303.10818	0.4
314.19315	0.3
322.31107	0.3
335.57730	0.4
480.35852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51619	0.5
72.99318	0.2
79.95746	4.5
80.88947	0.1
96.96021	100.0
97.95959	0.2
108.02179	0.2
109.02969	4.1
121.02959	0.2
123.04511	0.3
134.03719	0.1
135.04512	0.2
145.02992	0.2
147.04567	0.5
151.04102	0.1
158.03810	0.2
159.04564	1.1
163.04031	0.1
173.02437	0.1
177.01968	0.3
185.02435	1.3
186.03163	0.3
203.03571	0.3
207.02844	0.1
209.06192	0.3
211.04062	0.1
215.03677	0.1
225.05522	0.3
236.04826	0.1
237.05663	0.3
238.06389	0.1
240.04431	0.2
249.05716	0.4
252.04385	0.2
253.05006	0.6
254.05917	0.2
265.05124	0.3
266.05545	0.2
267.06601	0.4
268.03751	0.1
268.19470	0.1
269.08206	0.7
271.06055	0.3
277.05038	0.3
279.03003	0.3
280.03918	0.3
281.04538	0.9
284.03262	0.2
293.04465	0.3
295.06097	1.4
297.08057	0.2
299.05740	0.2
309.04178	0.2
311.05731	0.2
313.07150	1.3
321.04337	0.7
323.05481	0.2
327.04984	0.3
339.05118	2.7
340.05286	0.2
341.06534	1.0
359.07761	0.5
385.05649	0.8
403.06741	8.1
404.07336	0.2
621.07306	0.2
743.12616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	35.1
71.01392	8.6
71.43219	1.5
72.99317	6.6
73.02962	2.2
77.03986	2.3
89.02460	4.7
89.03960	2.1
95.05042	6.7
96.96024	2.0
99.04529	15.9
101.02469	4.7
105.03468	17.5
106.03822	3.0
109.02970	13.9
113.02468	3.3
121.02972	4.0
123.04532	12.5
125.02462	4.3
132.02144	3.3
133.02971	82.0
134.03380	10.9
135.03590	2.4
135.04539	36.9
136.04857	2.0
137.02451	4.0
145.02959	3.5
149.02429	1.6
149.06087	3.5
151.04047	20.0
159.04558	3.0
160.01691	5.6
161.02463	69.6
162.02840	2.2
175.04034	8.8
176.04829	4.6
177.01941	45.4
178.02286	12.3
179.03564	25.5
189.01970	1.8
189.05655	2.4
191.07150	6.3
193.05093	11.2
197.04602	4.2
219.03035	2.1
221.85411	1.5
226.05650	1.6
231.03040	3.4
235.06104	16.2
241.94196	1.5
251.06599	1.9
255.10266	3.5
265.07199	8.5
266.05890	3.0
267.06555	5.9
268.07120	2.9
269.11884	2.4
280.07126	1.4
281.04556	5.0
283.09769	12.9
294.08844	1.5
295.08176	10.0
296.07004	5.3
298.12228	2.2
311.09277	41.8
311.12506	1.4
313.07263	10.2
326.11612	40.9
341.13953	100.0
342.14459	3.4
355.10431	4.1
357.06204	20.7
359.07761	6.1
487.13965	3.3
487.34363	4.5
502.16293	3.2
517.18744	45.6
518.19055	2.8
562.97742	1.7
668.33173	1.8
729.98315	1.6
802.99957	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	1.3
59.01388	23.3
59.14321	1.4
61.98846	2.3
62.50742	1.2
70.56842	1.1
71.01398	9.0
72.99318	3.0
73.02958	2.0
73.65221	1.2
81.24283	1.3
85.02979	2.7
89.02464	4.8
94.06641	2.7
96.96035	2.1
99.00922	1.3
99.04521	2.3
101.02456	5.2
105.03462	1.9
107.03787	3.7
109.02932	2.2
113.02460	5.2
116.92867	2.5
119.03504	3.4
120.08171	7.5
122.06138	33.3
133.03000	11.2
134.06123	8.3
135.04521	8.6
136.57092	1.4
152.07190	36.4
153.07503	1.5
161.02460	10.2
161.04518	1.9
161.13391	4.4
171.89214	1.2
177.01941	4.8
179.03537	3.6
187.11292	7.7
190.05099	2.7
197.04576	3.5
205.12338	6.0
221.10866	2.9
223.08659	1.8
225.10446	1.9
229.12346	4.1
237.10339	3.6
238.11031	1.9
239.11949	4.8
249.11531	7.5
251.11937	2.6
263.08453	1.7
264.09122	4.5
265.09872	4.2
267.11661	1.6
269.12979	1.5
277.10056	2.5
279.11407	16.4
280.11993	1.8
291.11514	3.5
295.10971	1.4
305.09442	2.9
322.09543	1.7
323.10333	3.3
325.12057	1.5
342.15939	2.5
351.14233	2.3
355.12888	3.1
402.18149	4.0
411.16907	2.0
426.18295	2.3
429.17578	4.2
440.57803	1.5
444.19211	5.6
448.18744	4.6
470.17017	2.1
471.18173	2.7
488.18008	7.6
489.19073	5.2
502.19894	5.7
520.20856	12.3
531.20947	3.6
551.22589	1.7
567.26202	3.4
588.08038	1.7
591.22943	3.8
593.24164	5.9
611.25171	27.4
612.25092	3.2
617.30280	1.9
625.26910	3.9
633.38684	1.7
643.27783	100.0
644.28278	9.7
660.64459	1.3
661.29370	3.3
685.28748	4.4
693.40533	1.5
814.44220	1.7
841.34918	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	841.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.26926	11.9
71.01026	3.4
71.01389	53.2
72.99304	7.5
73.02952	4.9
79.05552	2.3
81.07118	3.2
83.01417	4.8
85.02964	13.1
89.02460	35.1
91.87215	2.4
92.80758	2.2
95.01366	2.8
95.05012	3.4
96.96015	4.3
97.06568	2.8
98.21837	3.8
99.04517	21.1
101.02455	28.0
105.07078	2.4
107.05030	3.7
107.08639	2.3
109.02971	6.5
111.04552	5.0
113.02479	19.2
119.03503	11.0
123.04559	3.3
125.02454	2.2
133.02954	7.8
134.03688	3.6
135.04538	29.1
135.65356	2.3
137.02434	8.1
143.03461	3.3
145.10226	3.0
147.11815	3.4
161.02420	14.9
161.04535	4.1
161.09760	2.3
161.13371	44.1
162.13658	2.1
169.10211	3.3
173.09921	2.2
173.13324	3.2
177.01881	5.3
179.03522	19.1
179.05656	7.0
184.92418	2.2
185.09723	6.3
185.13368	9.4
187.11307	63.8
188.11728	2.3
197.04517	3.4
201.12860	3.9
203.14386	4.3
205.12344	67.1
206.12682	2.1
207.02986	5.6
219.13885	4.8
225.04022	9.7
229.12360	30.9
231.10304	5.8
241.12720	2.0
247.13406	14.5
249.11328	53.6
259.13318	4.2
273.11502	3.1
277.14505	2.8
291.09207	3.8
291.12387	14.1
307.15463	2.7
321.13406	7.9
351.14536	31.6
359.07410	2.2
385.18771	7.5
402.08350	2.2
411.16635	26.1
429.17618	28.7
471.18729	4.3
501.19766	8.5
531.20923	42.3
591.22998	42.0
612.60876	2.5
617.29578	21.2
635.84210	2.0
661.28546	25.7
681.25995	2.7
693.40222	2.7
797.35925	14.9
827.01459	2.6
841.35107	76.0
842.35455	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	841.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.4
67.52864	0.4
81.00294	0.4
84.18967	0.4
85.68621	0.4
96.96030	0.7
99.92596	11.3
114.93414	1.1
116.92873	100.0
116.97239	2.3
117.92868	3.1
126.43455	0.3
173.06943	0.4
228.86363	0.4
352.67667	0.4
481.25482	0.6
826.51355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83752	0.4
61.98836	0.6
71.41911	0.6
72.68777	0.4
78.95889	0.4
80.59866	0.4
99.92593	12.0
100.92603	0.6
116.92877	100.0
116.97279	1.3
117.01942	0.6
117.92891	3.1
125.50549	0.4
143.63060	0.4
152.99661	0.7
204.55423	0.5
209.95557	0.5
245.04381	0.6
249.50320	0.4
253.21831	0.5
254.48692	0.5
256.11508	0.5
435.14056	0.5
481.25955	1.1
610.47858	0.5
666.71362	0.5
670.27991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	35.9
69.29990	4.4
69.30398	2.8
71.01392	15.1
72.99319	7.6
73.02953	4.4
83.01400	2.3
85.02960	6.0
89.02452	9.9
95.01408	1.4
96.96021	4.7
98.22594	2.5
99.00901	1.3
101.02447	12.2
105.03496	2.4
109.02985	4.6
113.02487	8.5
119.03496	3.3
122.96460	1.2
123.04528	4.4
124.01673	5.6
125.02467	2.1
131.03497	8.0
133.02969	21.1
134.03357	2.3
135.04549	20.9
136.04929	1.7
143.10744	1.6
149.04562	4.2
151.04025	5.0
161.01085	2.8
161.02458	50.9
161.04584	3.5
162.02815	2.6
177.01964	9.2
179.03554	14.5
191.05630	3.5
197.04585	9.1
201.05563	10.3
219.02983	1.5
255.19518	1.4
357.06058	2.3
359.07703	15.2
360.08218	2.2
405.11557	1.6
487.34381	100.0
488.34595	6.5
497.32959	3.4
501.35809	5.0
503.33829	8.8
504.34097	13.9
505.34418	17.0
519.36145	2.8
529.35455	21.9
530.36127	1.8
546.35162	2.7
547.35406	3.6
559.37183	1.5
619.38361	1.8
631.38538	1.5
633.38562	4.9
635.27673	1.5
649.40039	1.7
651.40045	8.3
661.39362	1.9
669.41364	2.2
693.40802	2.5
701.85187	1.4
711.41382	4.1
781.44043	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	841.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	4.2
65.05465	3.4
66.15795	2.8
71.41932	2.7
92.17522	3.2
99.92580	18.0
100.92594	4.3
114.57544	3.1
116.92871	100.0
117.92889	40.6
118.92630	19.5
232.45544	3.3
271.47781	3.0
293.21213	9.8
300.16342	3.2
395.04694	3.1
461.28500	3.4
537.27264	3.9
562.16724	3.6
780.94067	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	843.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.1
69.21524	0.5
72.99313	0.3
79.95747	4.1
96.96021	100.0
97.95950	0.2
98.21872	0.2
98.95597	0.3
109.02955	2.7
121.02922	0.1
123.04568	0.1
135.04530	0.5
147.04565	0.2
153.92114	0.1
159.04509	0.4
161.02457	0.2
173.02498	0.2
175.04112	0.1
179.03528	0.3
185.02446	2.2
186.03204	0.5
197.04588	0.2
203.03522	0.1
225.05629	0.1
267.06641	0.2
277.05035	0.2
279.03015	0.1
293.04584	0.1
295.06143	5.8
300.24713	0.1
313.07175	0.4
321.04132	0.8
339.05099	0.4
395.27612	0.1
493.11490	2.1
519.09589	0.4
537.10590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94056	0.1
63.37770	0.1
65.46040	0.2
67.24422	0.1
69.19877	0.9
70.67648	0.1
70.87961	0.1
72.68902	0.1
79.95744	3.9
81.13371	0.2
87.45275	0.2
91.87772	0.2
96.96023	100.0
97.56333	0.1
97.95941	0.3
98.95598	0.9
109.02965	3.6
109.90443	0.2
121.02984	0.2
135.04544	0.2
145.02963	0.2
159.04555	0.4
179.03571	0.3
180.08061	0.2
185.02455	1.9
186.03271	0.8
209.05974	0.2
221.06155	0.2
223.09862	0.3
225.05577	0.4
249.05609	0.4
251.03596	0.2
252.04311	0.2
267.06693	0.8
269.08084	0.2
277.05014	1.0
278.05557	0.2
279.03009	0.4
280.03824	0.6
288.55713	0.2
293.04849	0.2
295.06149	5.5
296.06552	0.3
299.46066	0.2
308.91510	0.2
313.07196	0.2
321.04263	0.5
339.05109	17.7
340.05475	1.2
348.04160	0.2
459.14301	0.2
474.16415	0.2
489.19122	0.6
519.20319	1.7
537.10968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.8
72.99319	14.6
91.39104	0.7
96.96022	9.8
109.02984	1.4
117.03466	0.7
121.02994	0.7
123.04547	8.0
132.02191	1.0
133.02972	23.0
134.03751	0.7
135.04541	18.5
136.04865	1.2
136.73322	0.7
143.81738	0.6
151.04018	1.2
161.02464	100.0
162.02800	3.9
177.01955	0.7
179.03519	16.6
197.04579	20.5
197.06395	1.0
198.04892	1.0
243.09076	0.6
276.94519	0.6
293.10260	1.2
303.22464	0.7
321.03937	0.9
341.22928	0.7
357.06018	0.8
359.07755	44.7
360.08176	3.0
404.76794	0.6
455.13599	1.6
465.33459	0.6
637.28552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.1
70.06117	0.3
71.01378	0.4
72.99318	15.3
73.02983	0.3
77.58785	0.3
85.02985	0.4
85.99016	0.3
96.96022	6.4
98.22649	1.3
101.02433	0.5
103.01881	0.3
105.03500	0.4
107.05023	0.5
109.02972	1.3
122.90418	0.3
123.04546	7.3
132.02171	1.1
133.02974	22.7
134.03703	1.2
135.04539	19.6
136.04851	0.8
137.02490	0.6
160.01675	1.0
161.02464	100.0
162.02788	1.9
165.01923	1.6
177.01945	0.7
179.03522	15.8
180.03862	0.7
186.99541	0.4
197.04565	21.5
198.04921	0.5
223.02548	0.5
229.54720	0.4
283.47064	0.4
321.04169	1.2
322.04288	0.4
324.02423	0.4
359.07742	42.2
360.08038	2.3
363.79886	0.4
519.09058	0.6
601.26556	1.4
603.09399	0.4
619.27972	0.6
799.32904	0.4
811.24207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.2
65.21628	0.4
69.34303	2.5
71.01398	1.8
72.99315	27.2
73.02919	0.6
79.95726	0.6
93.03425	0.5
95.32269	0.5
96.96021	10.2
99.04526	1.4
101.02460	0.5
106.38529	0.5
107.05109	0.6
109.02958	2.5
121.02986	0.7
122.03762	0.7
123.04548	9.1
132.02168	0.9
133.02974	26.9
134.03812	4.5
135.04544	24.3
136.04988	0.6
137.02464	1.5
139.03993	0.6
145.03046	0.9
150.03302	0.6
151.04010	1.8
160.01714	0.6
161.02466	100.0
162.02765	2.9
178.02757	6.0
179.03528	20.2
180.07942	1.9
197.04581	24.0
202.35831	0.5
216.64867	0.6
223.02434	0.5
223.09772	2.9
252.30637	0.6
277.05270	0.8
295.06177	1.2
315.70377	0.5
318.59271	0.6
320.10641	0.5
321.04376	2.4
339.05106	1.7
358.06387	0.6
359.07736	41.3
360.08066	2.0
394.24033	0.5
397.22293	0.6
439.23495	1.0
457.61050	0.6
459.14508	1.7
471.14667	1.2
474.16815	2.3
486.16742	0.7
489.19278	4.5
501.19147	1.2
519.12933	0.9
519.20331	13.1
520.20978	0.8
567.18933	0.6
601.26556	0.8
637.28705	20.1
638.29486	1.9
799.31964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11324	0.4
69.20722	0.3
70.40739	0.3
71.20009	0.3
72.99306	0.6
79.95740	4.4
81.95312	1.1
91.15712	0.3
95.17077	0.3
96.96023	100.0
97.95963	2.6
98.95610	30.7
98.96432	4.2
99.04510	0.6
99.92604	1.4
100.93394	0.3
102.23617	0.3
109.02962	6.2
110.03311	0.6
118.88277	0.3
121.02985	0.6
135.04558	1.1
137.02364	0.5
144.43552	0.3
145.02943	0.5
148.01634	0.5
149.02483	0.4
151.03931	0.3
159.04512	0.5
161.02448	0.6
166.06332	0.6
167.18692	0.3
175.48494	0.3
179.03549	1.0
180.07927	0.7
185.02444	2.6
186.03098	1.1
187.03531	0.4
188.12096	0.3
197.04637	0.8
206.81035	0.3
207.03041	0.6
217.31152	0.3
217.96878	0.4
221.06050	0.5
223.09769	0.9
224.10046	0.5
225.05696	0.5
231.94722	0.8
236.88408	0.3
248.04495	0.4
249.05429	0.8
252.04147	0.4
265.05127	0.7
267.06601	1.2
268.07062	0.6
277.05139	1.1
278.05472	0.5
279.02972	0.9
280.03632	0.9
281.03955	0.4
293.04636	1.2
295.06155	5.8
296.06488	2.3
297.06631	1.0
307.97974	0.7
321.04068	1.6
322.04523	0.4
333.99356	0.8
339.05109	14.9
340.05469	8.2
341.05728	3.9
348.97937	0.4
349.20773	0.4
377.98672	0.3
393.00650	0.5
409.00336	0.4
410.42554	0.3
422.02371	0.5
424.99863	0.4
451.02948	0.8
459.14410	0.3
466.01730	0.9
472.14944	0.5
474.16705	0.5
475.17267	0.5
483.01865	0.5
489.19186	0.4
490.19641	1.1
491.19836	0.4
491.99341	0.4
495.01715	0.4
519.09253	0.3
519.20349	1.4
520.20557	3.3
521.21240	1.8
525.02246	0.4
557.02124	0.4
569.01978	0.8
587.03516	0.6
601.00751	2.3
754.55640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.1
64.33389	0.1
68.86949	0.1
79.95746	4.1
96.96020	100.0
97.95962	0.2
98.95595	0.4
109.02959	1.5
110.03304	0.1
121.02964	0.1
129.88777	0.1
146.10199	0.1
147.04607	0.2
159.04518	0.1
173.02402	0.1
185.02449	1.1
186.03197	0.3
221.06160	0.2
229.01573	0.1
248.04854	0.1
249.05573	0.4
251.03595	0.2
265.05029	0.4
267.06586	0.1
277.05179	0.7
277.07904	0.1
279.02963	0.7
280.03708	0.4
293.04648	0.7
295.06125	1.4
296.06372	0.1
303.03125	0.2
321.04053	5.8
322.04327	0.3
339.05087	1.7
402.80319	0.1
519.09619	0.4
549.10431	6.4
550.10809	0.3
567.11450	0.1
574.01703	0.1
757.32990	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	61.0
71.01387	35.3
73.02959	6.9
75.00897	4.5
87.00861	4.5
88.98848	6.6
89.02447	27.3
89.15121	3.4
95.01447	3.3
96.96950	3.9
97.02959	4.2
98.99391	6.7
101.02437	19.0
113.02467	11.0
119.03496	4.2
125.00926	4.3
125.02438	4.7
133.21104	2.8
141.00436	33.1
141.01476	4.7
143.03554	8.6
143.99104	5.6
153.00473	16.2
153.01669	3.4
155.02028	3.4
156.99167	3.5
161.04607	4.5
166.60823	3.0
167.02061	6.6
179.05614	20.2
183.01538	5.1
195.01534	9.2
221.06680	8.9
243.03656	13.0
250.97237	4.4
303.05792	11.5
341.11023	7.7
383.11984	21.2
405.08893	100.0
406.08972	8.1
423.09927	30.5
443.03830	4.6
461.05518	5.2
465.11081	68.6
466.10959	6.0
485.14954	4.6
503.06342	29.3
503.15939	22.2
525.13208	11.0
563.08087	21.4
605.09253	8.2
665.21698	29.4
687.19019	52.3
688.18115	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	845.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	61.0
71.01387	35.3
73.02959	6.9
75.00897	4.5
87.00861	4.5
88.98848	6.6
89.02447	27.3
89.15121	3.4
95.01447	3.3
96.96950	3.9
97.02959	4.2
98.99391	6.7
101.02437	19.0
113.02467	11.0
119.03496	4.2
125.00926	4.3
125.02438	4.7
133.21104	2.8
141.00436	33.1
141.01476	4.7
143.03554	8.6
143.99104	5.6
153.00473	16.2
153.01669	3.4
155.02028	3.4
156.99167	3.5
161.04607	4.5
166.60823	3.0
167.02061	6.6
179.05614	20.2
183.01538	5.1
195.01534	9.2
221.06680	8.9
243.03656	13.0
250.97237	4.4
303.05792	11.5
341.11023	7.7
383.11984	21.2
405.08893	100.0
406.08972	8.1
423.09927	30.5
443.03830	4.6
461.05518	5.2
465.11081	68.6
466.10959	6.0
485.14954	4.6
503.06342	29.3
503.15939	22.2
525.13208	11.0
563.08087	21.4
605.09253	8.2
665.21698	29.4
687.19019	52.3
688.18115	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	845.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	10.8
69.59846	8.3
71.01386	15.9
72.99310	2.0
78.33593	2.2
85.02965	6.0
87.00876	6.7
89.02471	7.4
93.60644	2.1
98.21818	2.3
101.02453	11.4
113.02472	7.0
121.02974	53.3
123.00898	4.3
125.02435	3.2
137.02463	3.7
138.03217	4.1
153.05600	42.9
161.04631	3.0
166.99783	2.9
181.01469	2.2
181.54312	2.0
182.02260	12.8
196.03749	5.2
197.04573	100.0
197.06395	5.3
203.05704	2.9
211.06140	7.1
239.05635	21.0
265.63840	2.1
269.06735	5.1
299.07611	3.6
311.84573	1.9
365.10703	3.1
401.10825	10.5
431.12302	4.4
445.03345	2.7
485.45508	2.7
486.62906	2.4
521.15814	3.1
563.16327	15.2
623.18188	6.6
647.20410	4.2
663.92194	2.5
683.20636	2.7
845.25604	50.6
846.25464	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	845.325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	25.8
59.76449	0.5
66.93935	0.6
69.25932	2.5
69.26345	1.0
71.01405	4.6
72.99313	5.6
73.02955	9.3
83.01402	1.6
85.02961	1.5
87.00905	1.4
89.02444	2.4
93.03439	0.5
95.01387	0.6
96.69963	0.6
96.96029	2.1
98.22625	1.3
101.02458	7.4
109.02950	1.1
112.98827	7.5
113.02477	2.8
117.03481	2.5
119.03513	1.2
119.05051	6.8
123.04556	1.5
131.03520	0.5
132.02199	1.4
133.02979	20.3
134.03775	6.4
135.04544	23.3
143.03503	0.7
143.26590	0.5
145.02974	8.2
149.04558	1.5
149.06113	1.2
160.01671	2.2
161.02467	100.0
161.04619	3.1
162.02882	2.9
163.00404	0.7
163.04021	13.3
165.01964	1.2
175.03960	2.5
177.01932	1.0
178.02699	1.1
179.03522	6.2
181.05093	29.1
185.02463	0.9
190.02795	0.9
191.07152	0.6
193.05119	2.4
197.04575	7.2
202.02815	0.6
205.05081	1.5
221.06688	1.0
233.04500	5.0
233.06068	0.4
307.04617	13.2
309.07767	0.7
327.08725	0.8
343.08261	30.0
344.08618	1.7
357.09723	1.1
397.22348	2.1
408.19852	0.7
415.23450	2.5
454.87985	0.6
457.24619	4.6
507.12598	1.3
519.09863	0.9
523.23828	0.7
547.76251	0.5
774.78668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	2.0
65.76357	1.3
67.72789	1.3
72.99314	30.7
82.04317	1.3
86.09842	1.1
91.69537	1.3
92.75132	1.4
93.21201	1.4
97.32880	1.4
118.45584	1.3
121.02964	2.8
132.02225	2.8
133.02971	46.7
135.04541	16.8
161.02461	100.0
162.02792	3.2
175.34766	1.3
179.03503	11.7
218.94888	1.5
220.58403	1.5
235.19290	1.3
263.15256	1.5
267.65707	1.6
305.62384	1.5
356.09366	1.8
368.09241	1.5
412.08380	3.4
438.64117	1.7
476.13327	2.0
486.11990	3.3
500.97198	1.6
504.12872	4.6
522.14093	33.8
569.54443	1.5
684.17291	54.9
685.17596	5.4
714.82941	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	847.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
71.01375	0.8
71.40836	0.6
72.99311	4.4
80.74841	0.4
89.03985	0.5
93.03484	0.8
96.96035	0.6
101.02480	0.5
105.03490	0.6
109.02961	0.7
113.02480	0.8
117.03473	0.8
119.05040	39.8
120.05387	1.1
121.68571	0.4
123.04539	2.8
126.25034	0.5
132.02165	0.9
133.02971	26.6
134.03752	1.3
135.04543	18.7
136.04845	0.7
136.63145	0.4
139.28688	0.4
149.06091	0.9
151.04106	0.5
161.02464	100.0
162.02808	4.0
163.04037	15.1
164.04407	0.4
175.04002	0.7
177.01956	1.3
177.05592	2.8
178.02652	0.7
179.03525	16.3
180.03998	0.5
197.04573	4.8
203.03511	0.9
221.02681	0.5
221.04480	3.1
226.87607	0.4
263.05670	1.0
280.05914	0.9
323.07724	14.7
324.08167	0.5
325.64670	0.5
331.16602	0.4
359.03268	0.5
359.07712	9.2
443.13443	1.5
450.49008	0.5
487.12494	95.3
488.12833	8.6
489.12689	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	849.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16769	1.4
69.17104	7.8
72.99319	8.6
82.00625	1.6
96.96021	2.7
108.02229	2.4
109.02967	52.0
110.00074	5.5
110.03305	1.6
111.00915	5.5
117.39611	1.2
121.02986	3.6
123.04525	4.8
125.30953	1.1
133.02959	3.0
134.03798	1.9
135.04536	26.9
143.90819	1.2
147.04561	1.7
149.02405	2.1
150.03249	1.3
151.04024	2.3
159.04529	2.8
161.02454	8.9
173.02444	2.1
179.03476	7.0
185.02454	5.9
186.03249	2.2
197.04543	5.0
221.06163	2.4
237.05597	1.4
239.07153	1.4
247.04039	1.5
249.05641	3.3
252.04016	1.3
262.06274	1.6
263.30585	1.1
265.05035	1.9
267.06598	4.0
269.08188	1.6
273.05612	3.9
274.06320	3.0
277.05014	3.9
279.03058	3.5
280.03622	1.9
289.05249	1.4
293.04587	4.5
294.04865	1.3
295.06064	14.8
309.09119	1.3
311.05988	5.1
313.08548	1.6
315.06436	1.8
317.04541	3.1
321.04022	18.1
322.04373	1.6
323.07108	2.0
327.06558	1.5
331.13058	1.1
335.06754	1.5
337.04868	1.3
337.08722	3.5
339.05295	9.5
340.07352	5.0
341.08044	2.2
351.06445	2.5
352.07074	1.7
353.08124	4.4
354.09097	1.9
355.05960	2.6
355.09729	2.9
365.08188	3.0
367.06085	8.2
368.06842	4.2
369.07773	1.6
379.06116	1.6
380.06824	2.1
381.07663	11.2
383.05511	4.1
383.09564	2.5
397.07129	3.6
399.08752	3.3
408.06433	1.6
409.07153	14.6
410.08017	2.8
411.04999	8.6
412.05670	3.6
424.05933	2.0
425.06729	5.1
427.08173	22.0
428.08563	2.2
445.09274	2.7
452.77905	1.4
453.06171	100.0
454.06601	7.0
471.07251	56.4
471.12564	1.1
472.07526	3.1
493.11194	3.5
509.10947	4.2
519.09479	7.8
625.13800	5.4
651.11487	88.7
652.11969	7.0
773.45605	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	849.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01748	0.2
69.90520	0.5
69.90905	0.4
72.99319	13.3
89.03973	0.2
95.05022	0.2
98.21927	0.4
105.03473	0.6
107.05060	0.7
109.02958	1.2
121.03020	0.4
123.04542	5.1
132.02185	0.7
133.01936	0.6
133.02971	24.5
134.03806	2.1
135.04541	29.9
136.04900	0.9
147.04578	0.6
151.04021	1.8
159.04498	0.8
161.02464	100.0
162.02820	2.3
177.01978	1.2
177.51723	0.3
178.02698	0.4
179.03522	15.4
180.03940	0.3
197.04572	16.9
198.04886	0.4
209.06168	0.5
218.97844	0.2
221.04611	0.9
223.02528	0.7
237.05635	1.0
278.34073	0.2
309.04074	0.8
313.07251	0.8
327.05280	1.4
357.06168	0.7
359.07758	47.4
360.08069	2.1
489.08337	0.9
491.09952	1.2
511.58621	0.3
641.67462	0.2
687.13770	1.0
849.16882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01340	0.3
61.98850	0.3
70.53709	0.5
72.99313	11.4
90.62583	0.3
105.03471	0.5
107.05017	0.4
109.02954	1.0
117.03444	0.7
123.04541	5.6
132.02177	1.0
133.01938	0.6
133.02969	24.0
134.03792	2.1
135.04539	29.0
136.04845	0.4
136.34035	0.3
147.04535	0.7
151.04024	1.3
159.04500	0.6
161.02460	100.0
162.02818	1.7
177.01968	0.9
177.05630	0.3
178.02660	0.3
179.03510	16.3
197.04562	16.8
207.10172	0.3
221.04507	0.4
223.02499	0.5
237.05408	0.3
293.09363	0.3
309.03931	0.3
313.07153	0.8
327.05154	0.8
357.06299	0.8
359.07761	53.0
360.08054	1.4
379.90256	0.3
427.08340	0.4
489.08304	0.6
491.10226	1.2
849.17737	0.5
867.90601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98802	0.3
64.72765	0.3
68.28402	0.3
72.98901	0.6
72.99316	12.9
81.28371	0.3
93.03452	0.3
96.96011	0.3
105.03491	0.8
105.93589	0.3
107.05043	0.8
107.89983	0.3
109.02960	1.3
123.04546	5.2
132.02174	1.3
133.02975	23.6
134.03780	1.6
135.04546	27.0
136.04877	0.8
147.04535	0.4
151.04050	1.1
159.04573	0.5
161.02464	100.0
162.02817	1.9
173.24585	0.3
177.01950	0.9
179.03514	15.5
180.03961	0.3
197.04572	16.7
198.04883	0.4
221.04562	0.6
223.02559	0.6
237.05571	0.3
243.91447	0.3
313.07251	0.6
325.47443	0.3
327.05081	1.0
357.06113	1.1
359.07770	51.3
360.08102	2.0
440.88617	0.3
489.08463	0.8
491.09979	1.0
687.13849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.168
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07615	0.3
72.99316	16.4
89.03974	0.6
91.05501	0.3
91.09300	0.2
93.03474	0.3
95.05036	0.4
105.03471	0.8
107.05029	1.1
108.02165	0.4
109.02984	2.3
117.03472	1.0
120.27972	0.3
121.02988	0.5
123.04542	7.9
132.02176	1.5
133.02972	28.7
134.03789	4.0
134.86221	0.3
135.04538	47.7
135.65831	0.3
136.04860	1.2
137.02489	0.5
139.04042	0.5
145.02969	0.4
147.04488	1.0
149.02449	0.4
151.04012	5.1
159.04535	1.0
161.02460	100.0
162.02827	2.1
165.07173	0.4
171.21504	0.3
177.01949	1.4
177.05597	0.4
178.02725	0.9
179.03511	18.5
180.03857	0.5
181.06589	0.7
193.06596	1.5
195.03026	0.3
197.04567	17.0
198.05119	0.3
209.06093	1.2
219.04593	1.0
221.04601	1.1
223.02481	0.4
224.04808	0.3
225.05687	0.4
237.05571	3.2
247.41374	0.3
286.52792	0.3
295.28738	0.3
307.94989	0.3
309.04059	2.9
310.04538	0.4
311.05502	0.5
313.07291	1.6
327.05157	5.5
329.06772	0.4
357.06152	2.1
359.07758	46.4
360.08078	1.4
452.08875	0.4
489.08267	3.8
491.09955	1.7
507.09369	1.0
669.12408	0.7
687.13562	4.6
849.17365	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	849.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	6.0
85.36508	0.5
91.01881	0.6
96.96012	2.0
98.22628	1.1
105.03428	0.6
108.02171	2.5
109.02965	54.9
121.02966	2.3
123.04527	2.0
133.02963	4.2
134.03709	1.1
135.04546	17.3
136.04811	0.7
141.03500	0.5
145.02962	2.4
147.04533	2.3
148.04881	0.6
149.02460	6.4
150.03250	3.7
157.02942	2.1
158.03694	0.7
159.04541	5.1
161.02454	13.9
173.02458	2.4
174.03319	1.2
175.03978	1.2
179.03510	14.5
185.02449	30.0
186.03198	8.1
187.04001	0.8
191.03421	0.7
193.06645	1.1
197.04555	7.8
197.06148	1.2
201.01950	1.0
209.06125	3.2
211.07584	1.0
221.06160	3.4
223.07625	1.0
224.04823	1.4
225.05515	5.1
236.04871	1.1
237.05463	1.2
238.06377	0.6
239.07082	3.3
247.03941	1.0
248.04829	2.0
249.05606	9.6
250.06216	1.9
251.03525	3.0
251.07228	0.9
252.04318	4.0
253.05048	1.2
255.06653	0.8
265.04971	3.3
266.05847	2.3
267.03787	0.8
267.06656	14.7
268.07193	0.8
269.08246	1.5
275.03528	0.8
276.04288	1.4
277.05084	13.0
278.05621	1.0
279.03000	10.8
280.03778	9.4
283.06238	1.8
293.04602	7.0
294.05310	2.0
295.06143	38.1
296.06473	1.4
311.05646	13.3
312.06363	1.2
313.07245	1.3
321.04068	26.1
322.04483	1.6
329.06619	0.8
339.05109	100.0
340.05353	3.6
359.07733	2.0
375.18240	0.6
445.08850	0.9
453.05679	0.8
471.07397	2.8
472.08011	0.6
509.10852	15.6
509.18488	0.8
519.09515	1.8
566.02942	0.7
566.29926	0.6
651.11481	4.9
695.08221	0.8
725.23792	0.6
730.15216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80820	0.5
69.81146	0.6
72.99318	3.0
73.34951	0.3
73.54865	0.2
93.03503	0.3
96.96006	1.3
98.21940	0.5
100.70455	0.2
108.02184	1.0
108.63181	0.3
109.02964	28.6
110.03287	0.6
113.04008	0.6
116.43107	0.3
117.85070	0.2
121.02963	0.9
123.04540	1.1
127.71849	0.3
129.03510	0.4
133.02928	0.4
134.03731	0.6
135.04543	5.9
136.04909	0.3
137.02440	0.4
141.03499	0.3
145.02950	1.0
147.04576	1.3
149.02422	0.9
154.67642	0.3
157.02968	1.5
158.03703	0.7
159.04556	2.5
160.01686	0.4
161.02460	0.7
165.07132	0.5
173.02467	2.1
175.04005	1.1
179.03471	1.8
184.01714	0.7
185.02449	19.9
186.03214	4.4
187.03938	0.4
193.06593	1.7
197.04567	2.2
197.06107	0.6
200.01135	0.3
203.03490	0.6
204.05698	0.3
205.06512	0.6
208.05338	0.5
209.06071	1.4
213.01912	0.4
213.05510	0.4
214.05818	0.3
219.04410	1.3
220.05283	1.1
221.06084	3.3
222.03293	0.4
223.04015	1.1
223.07564	0.3
224.04851	1.0
225.05556	1.5
229.01443	0.9
231.04526	0.4
232.05263	1.2
233.06082	0.5
235.04065	0.7
236.04703	0.6
237.05592	1.7
239.07256	1.2
247.04004	2.1
248.04770	2.8
249.05580	8.3
250.02753	0.6
250.06339	0.6
251.03490	5.9
251.07349	0.4
252.04257	2.1
253.01379	0.5
253.03896	1.1
254.04553	0.5
260.04782	0.6
263.03607	0.8
264.04282	1.2
265.05075	8.0
266.05627	1.3
267.06647	3.2
267.69864	0.3
275.03580	1.1
276.04266	2.3
277.05081	11.5
278.02115	0.8
278.05698	0.7
279.03009	16.5
280.03772	5.0
291.03134	0.3
292.03787	1.0
293.04584	11.7
294.05151	0.8
295.06143	20.5
296.06558	0.8
303.02966	2.7
304.03629	0.5
313.07047	0.4
319.02277	0.5
321.04056	100.0
322.04456	3.1
339.05112	23.7
340.05511	0.6
475.10049	0.6
493.11380	1.7
519.09381	43.6
520.09650	1.7
537.10449	0.8
545.00220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85225	0.3
67.93658	0.3
70.48348	0.6
72.99319	1.1
74.23713	0.4
91.60948	0.3
93.89103	0.3
108.02185	1.2
109.02969	24.9
110.03280	0.5
113.04034	0.7
115.05597	0.3
121.02983	0.4
123.04556	0.7
133.02959	0.5
135.04532	1.7
137.02460	0.6
141.03491	0.5
145.02972	1.1
147.04553	1.4
149.02475	0.5
157.02974	2.4
159.04495	1.7
160.01686	0.7
161.02403	0.8
173.02440	2.0
174.03255	0.4
175.04054	0.7
179.03577	1.5
183.04416	0.3
184.01668	0.7
185.02457	23.4
186.03232	5.2
193.06610	2.0
195.04568	0.5
197.04576	0.7
197.06247	0.4
204.05867	0.7
207.04539	0.4
208.05257	0.5
209.06088	1.2
211.07719	0.4
213.02008	0.4
219.04578	1.3
220.05269	1.4
221.06085	4.4
223.04021	0.9
224.04774	0.8
225.05725	1.7
226.05099	1.0
231.04637	0.5
232.05357	1.5
233.06204	0.4
235.03992	0.8
236.04800	1.0
237.05585	2.3
239.07156	1.2
241.03914	0.7
242.04611	0.9
244.06197	0.5
247.03964	1.7
248.04866	2.9
249.05591	10.7
250.02794	0.6
250.06207	0.8
251.03506	4.4
251.83551	0.3
252.04300	1.5
253.03647	3.0
254.04613	1.4
259.04047	0.7
260.04803	0.7
263.03592	0.5
264.04276	1.4
265.05054	8.1
265.07687	0.6
266.05737	0.9
267.06628	3.4
269.03412	0.6
270.04028	1.0
275.03445	2.1
276.04297	1.5
277.05081	13.2
278.05573	0.7
279.03015	12.0
280.03748	3.3
291.02924	0.4
292.03809	1.3
293.04608	13.6
294.05154	0.9
295.06140	19.0
296.06430	0.8
298.03543	1.7
303.03009	2.4
304.03821	0.6
311.05646	0.7
319.02634	0.6
321.04062	100.0
322.04419	2.8
330.06143	0.4
339.05109	17.6
353.06937	0.6
472.07315	0.4
519.09454	3.5
626.12933	0.6
652.11035	14.0
653.11163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
67.00398	0.7
72.99314	9.1
79.94131	0.6
82.41535	0.7
93.03468	2.8
96.96030	1.7
98.21903	1.7
107.05006	0.8
108.02195	1.0
109.02969	25.5
112.98839	1.1
117.03497	3.1
121.02966	15.7
123.04524	2.8
132.02231	1.5
133.02971	28.1
134.03751	2.2
135.04543	41.9
136.04878	1.5
137.02467	1.8
145.02983	11.9
146.03764	11.8
147.04562	4.9
149.02455	5.2
149.06094	1.5
150.03265	1.4
151.03981	1.7
154.80020	0.8
158.03748	0.9
159.04515	4.2
161.02461	100.0
162.03172	5.8
163.04036	16.3
172.64468	0.7
175.04042	5.2
177.01953	1.0
179.03523	26.9
185.06163	1.5
193.06631	0.9
196.05344	1.0
197.04555	3.2
197.06108	1.8
203.03482	1.8
207.43503	0.8
209.06090	2.7
211.07664	2.7
213.05612	2.4
221.06104	1.5
222.06821	0.8
223.07718	0.8
224.04849	1.9
225.05745	1.6
227.07188	1.5
235.07835	0.7
237.05624	6.1
238.06285	4.2
239.07144	6.0
240.04286	1.8
241.05170	2.5
242.05852	3.4
248.04779	1.1
249.05603	4.1
250.06302	4.2
253.05154	2.8
254.05806	3.3
255.06651	52.6
256.07156	3.9
257.08362	1.8
264.04196	0.8
265.05084	2.5
266.05774	3.6
267.06653	43.0
268.07117	3.1
269.08182	0.9
281.08185	1.2
283.06052	1.0
285.07721	36.4
286.07892	1.2
293.04617	6.2
293.08133	1.3
294.05075	0.7
295.06207	2.4
311.05634	16.3
312.06146	2.4
313.06921	1.5
321.08777	1.3
329.06689	37.4
330.07233	2.8
331.08133	1.4
339.09860	1.4
357.06372	0.8
359.07806	8.9
403.12152	4.5
404.12738	0.9
409.66949	0.7
429.10077	0.8
447.10916	24.1
448.11316	2.1
491.02728	1.1
491.09912	22.7
492.10480	7.6
493.11536	2.3
586.28510	0.7
657.23041	1.4
689.15979	1.9
819.27856	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	1.1
72.99313	9.6
83.51166	0.7
93.03468	2.2
96.96011	1.6
107.28904	0.6
107.29745	0.7
108.02194	1.5
109.02968	21.6
117.03471	2.5
119.48588	0.7
121.02965	12.4
123.04515	3.3
130.15320	0.6
132.02184	0.9
133.02974	25.2
134.03758	2.5
135.04541	41.7
137.02426	0.9
145.02980	11.9
146.03746	9.9
147.04541	4.0
149.02473	4.1
149.06097	1.1
149.21562	0.7
150.03224	1.2
151.04060	1.2
159.04552	3.1
161.02461	100.0
162.03217	6.3
163.04019	16.4
175.04027	5.9
177.01947	1.1
179.03519	23.8
185.06036	1.5
193.06590	1.8
196.05396	1.4
197.04556	5.5
197.06110	1.4
203.03487	1.8
209.06067	3.8
211.07692	2.4
212.04904	0.8
213.05635	2.1
221.06107	2.3
222.06731	0.8
223.07788	0.7
224.04881	1.4
225.05679	1.1
227.07170	2.4
237.05615	6.1
238.06273	5.2
239.07172	5.0
240.04326	2.6
241.05099	2.2
242.05803	3.8
243.06418	1.4
249.05603	3.1
250.06395	3.2
253.05023	2.1
254.05901	3.1
255.06647	56.2
256.07150	4.5
257.08218	1.9
265.05133	1.7
266.05896	3.8
267.06653	33.4
268.07401	3.7
268.09882	0.7
279.07425	0.8
281.08209	1.6
283.06104	0.8
285.07703	35.5
286.08044	1.7
293.08075	1.2
295.06058	0.9
311.05627	13.0
312.06287	1.8
313.07138	1.4
321.08716	1.5
325.07462	1.0
329.06683	33.2
330.07111	2.0
331.08215	1.7
333.06348	0.9
337.06821	0.8
339.05316	1.0
339.09821	1.6
357.06177	1.2
359.07706	12.9
360.08102	1.0
403.12210	3.2
404.12366	1.1
447.10873	18.6
447.16806	1.5
448.11142	0.8
491.09912	19.1
492.10809	5.7
493.11517	1.5
639.21289	1.1
657.22516	1.3
689.15222	3.9
754.47961	0.8
774.48303	0.8
819.27863	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	853.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77399	1.6
69.13711	1.7
72.99320	14.6
76.89999	1.8
76.98909	1.7
77.68826	1.7
84.16486	1.8
89.10204	1.6
93.03472	1.8
96.67725	1.7
98.21890	4.7
108.02187	3.1
109.02969	38.8
110.03229	3.0
123.00848	3.3
123.04544	5.9
133.02997	2.7
134.03738	2.0
135.04523	11.3
137.02431	30.1
145.02937	3.6
147.04504	2.1
151.00369	3.5
151.04004	8.7
151.16397	1.9
161.02469	2.6
173.02452	3.0
178.02754	2.3
179.03510	5.4
185.02472	28.2
186.03136	5.0
197.04555	6.3
207.26543	2.1
219.04543	3.2
220.05222	2.2
221.06029	4.2
225.05536	1.9
237.05563	4.9
247.03969	4.5
248.04883	2.5
249.05528	8.6
251.03534	6.8
263.03540	3.3
264.04169	2.4
265.05081	9.5
267.06558	4.0
275.03445	2.9
276.04370	3.2
277.05060	16.0
279.03067	19.1
280.03659	7.3
291.02805	4.3
293.04623	20.1
294.05087	3.6
295.06122	19.6
303.03012	4.4
310.13678	2.0
319.02524	8.5
320.03192	6.1
321.04062	100.0
322.04401	10.4
333.06216	32.1
334.06299	1.8
339.05121	23.7
340.05225	2.7
366.40753	2.3
413.06821	15.7
431.07480	9.9
457.05777	13.5
475.06406	3.4
519.09357	64.6
520.09772	6.6
655.11365	17.3
656.11963	2.8
673.12360	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	853.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61068	0.3
64.10954	0.4
65.66047	0.4
68.04292	0.4
71.24702	0.6
72.99313	8.3
76.41772	0.4
81.03486	0.4
93.03524	0.6
94.65697	0.4
96.96052	0.5
107.01424	0.5
108.01565	0.4
108.02205	0.9
109.02963	32.3
110.03275	0.6
113.03982	0.5
118.05127	0.5
120.26734	0.4
121.02990	1.8
123.00906	1.0
123.04560	3.2
133.02968	1.5
134.03760	1.6
135.04559	6.7
137.02461	6.6
145.02983	0.8
147.04570	1.1
149.02437	2.1
150.03189	0.8
151.00401	0.8
151.04010	3.7
152.01192	1.2
157.02963	1.2
159.04555	2.9
160.01643	0.6
161.02452	1.0
173.02475	1.3
174.03128	0.5
175.04015	1.3
177.01949	0.8
178.02737	0.7
179.03552	2.4
183.10483	0.4
184.01723	0.5
185.02455	19.1
186.03236	3.9
187.03702	0.4
191.04988	0.6
193.06572	1.2
197.04587	3.9
204.05920	0.6
205.06651	0.5
209.06097	1.0
213.02013	0.4
219.04498	0.9
220.05374	1.1
221.06052	4.1
223.04068	0.7
224.04762	1.2
225.05531	2.3
229.01520	0.6
232.05457	0.7
235.04114	0.6
237.05547	1.4
239.07120	0.9
247.04059	1.4
248.04869	2.6
249.05597	8.7
250.02774	0.6
250.06360	0.7
251.03522	5.1
251.06238	0.5
251.07187	0.6
252.04247	2.1
253.05046	1.0
263.03574	0.8
264.04318	1.2
265.05118	7.6
266.05756	1.5
267.06665	4.1
275.03534	1.2
276.04266	2.0
277.05078	11.5
278.02176	0.8
278.05627	0.7
279.03033	16.3
280.03714	5.2
287.05643	1.9
292.03955	0.5
293.04636	12.0
294.05145	1.4
295.06143	20.2
296.06485	0.8
303.03070	2.8
305.06744	2.3
315.05127	1.0
319.02649	0.6
321.04068	100.0
322.04504	4.3
333.02121	0.7
333.06192	17.7
339.05118	24.4
340.05466	1.3
359.04135	2.3
438.24130	0.5
493.11685	1.1
519.09387	58.1
520.09802	5.1
537.10596	0.8
655.10962	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	855.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	3.1
96.96022	2.1
108.02152	1.6
109.02965	25.8
135.04552	7.5
145.74467	1.1
147.04552	2.5
149.02466	1.8
159.04543	2.2
161.02480	1.7
173.02417	2.2
175.04053	1.9
179.03500	2.3
185.02464	21.0
186.03120	4.0
193.06523	1.9
197.04597	2.5
209.31796	1.1
220.05223	1.2
221.06087	3.8
225.05540	2.6
232.05580	1.1
236.18694	1.2
237.05528	1.3
247.04076	1.5
248.04849	2.3
249.05627	7.9
251.03539	4.4
251.07185	1.1
252.04303	3.3
265.05194	6.4
267.06647	3.2
277.05002	12.5
279.03033	14.9
280.03720	4.4
292.03802	1.1
293.04575	10.0
295.06125	22.2
303.02966	2.0
321.04071	100.0
322.04361	6.3
339.05106	24.5
340.05377	2.4
443.94138	1.2
493.11661	1.5
519.09424	53.2
520.09839	2.7
876.09644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01709	1.0
69.03456	2.7
69.36721	4.2
71.01388	35.8
71.29539	1.0
72.99300	1.3
73.02954	100.0
83.01395	19.2
85.02967	6.6
87.00906	2.1
89.02448	11.2
93.03459	3.3
95.01401	2.1
96.77993	1.0
97.02996	1.7
98.21838	1.7
101.02454	67.8
112.98804	1.0
113.02455	21.6
119.03516	7.9
125.02437	2.6
131.03546	6.3
133.02940	2.5
134.03778	2.6
135.04517	4.0
143.03497	6.9
146.07364	2.1
149.04584	14.3
155.03470	2.2
161.02509	8.3
161.04568	25.3
161.09741	21.9
179.03513	3.0
193.05101	1.2
203.05597	2.6
221.06679	8.8
235.06223	1.3
257.04681	0.9
499.12411	1.3
499.21625	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	857.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13243	0.5
71.01390	4.4
71.05038	0.8
72.99313	3.1
73.02922	0.7
75.84308	0.5
77.79303	0.5
80.16892	0.6
83.01402	1.5
85.02958	1.4
89.02462	2.7
92.20204	0.5
96.96022	1.5
101.02456	6.1
109.02971	0.9
112.98827	1.3
113.02437	2.7
117.87212	0.6
119.03519	1.7
123.04539	1.1
131.03528	4.6
133.02974	6.8
134.03772	1.2
135.04544	15.0
135.39236	0.5
136.04813	0.8
149.04567	1.3
151.04097	0.7
161.02458	13.7
161.04530	0.7
162.02812	1.6
177.01927	2.2
178.47031	0.6
179.03529	7.8
182.35017	0.5
191.03792	0.6
191.05611	2.5
191.10521	0.7
197.04561	2.6
197.26450	0.6
221.04387	0.7
234.89909	0.6
288.19516	0.6
292.03625	0.8
307.06104	1.0
325.07184	1.1
341.06549	1.9
342.51428	0.6
351.05145	1.4
357.06210	0.8
359.07700	2.7
360.08072	1.0
421.30688	0.8
439.32117	0.9
443.31393	1.2
453.30087	0.9
459.34958	0.9
485.32803	11.5
486.33392	0.9
499.34222	1.6
503.33856	100.0
504.34171	9.0
517.35321	2.1
543.31812	0.6
545.34882	27.7
546.34967	2.2
575.36151	1.1
635.37854	1.1
665.39124	1.9
677.39404	1.9
743.98755	0.7
797.43365	8.0
798.43652	1.4
813.29779	3.3
814.30658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.174
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	0.8
68.99836	1.5
69.20528	3.3
72.99315	7.6
84.99346	1.0
87.00883	4.7
89.03974	0.7
98.22585	1.3
109.02994	1.7
111.00908	1.7
112.98828	21.1
117.03472	1.6
127.00370	1.4
130.99892	1.6
132.02156	1.5
133.03024	1.3
134.03758	29.3
135.04573	2.8
136.01688	0.7
147.04535	1.2
148.01668	1.0
149.06114	9.9
151.04022	1.6
154.99812	0.7
156.79012	0.5
158.03740	1.4
159.04547	1.6
160.01683	8.9
161.02458	6.5
162.03241	9.4
163.04010	1.4
165.54274	0.5
173.02666	0.8
174.03285	0.9
175.04034	13.9
176.03471	0.5
176.04784	2.8
177.05609	5.2
178.02684	4.5
179.03496	0.6
181.72325	0.5
185.02411	0.9
186.03203	1.7
190.02747	8.5
191.07176	4.9
192.04173	0.5
193.05084	15.0
201.05624	1.9
202.01163	0.5
202.02728	3.2
203.03560	0.8
204.04289	1.0
205.05107	8.4
211.90529	0.6
217.05113	0.7
218.02234	1.8
219.06671	2.2
230.02185	4.3
233.04576	42.7
234.04913	0.9
235.06073	3.3
236.61104	0.5
245.04582	4.9
248.03278	0.5
263.05652	1.7
269.08261	0.8
289.03586	3.1
307.04633	100.0
308.04846	2.1
357.06085	3.6
367.85339	0.6
616.65979	0.6
743.92303	0.7
797.05121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54576	0.9
72.99316	42.1
78.84988	0.9
78.99291	0.8
84.99327	3.7
87.00894	1.4
98.05019	0.9
103.00415	0.8
107.05032	2.6
108.02189	18.3
109.02962	1.9
110.14156	0.9
112.98826	45.2
117.03497	4.0
119.05115	1.0
121.02926	1.4
123.04546	29.6
132.02232	1.7
133.02986	0.9
134.03767	13.7
135.04546	58.7
136.04910	1.3
139.50676	0.8
144.02206	5.4
145.02972	28.7
145.04117	1.6
146.03751	4.1
147.04497	1.1
148.01723	1.5
149.06111	1.1
151.03975	1.4
157.02956	0.9
158.03777	2.4
159.04529	11.5
160.01691	2.2
161.02493	3.2
163.04068	1.8
164.47940	0.8
171.55696	0.9
172.01683	2.7
175.03990	1.8
179.03510	32.4
185.02452	29.7
185.04106	1.4
186.03230	8.2
191.07175	1.5
193.05090	12.3
197.04579	100.0
198.04961	2.5
209.06131	1.3
210.06853	1.1
221.06058	2.4
223.02435	1.7
224.04817	1.3
233.06093	3.2
236.04877	1.0
237.05600	2.7
238.06396	2.9
238.19624	0.9
245.12053	0.9
248.04819	3.4
249.05603	3.9
250.06113	1.2
251.03529	3.2
252.04276	1.2
260.04703	0.9
264.04205	1.5
265.05063	7.9
266.05859	12.8
267.06592	2.7
268.07321	1.1
275.03528	1.6
276.04303	6.6
277.05096	21.1
278.05807	2.8
283.09769	7.5
291.06683	1.2
292.03952	4.3
293.04608	11.5
294.05389	40.0
295.05600	1.9
307.06165	3.3
309.07736	95.6
310.08090	5.3
320.03241	3.2
325.05682	2.7
327.08765	25.1
328.09274	1.1
335.05627	9.9
353.06613	9.6
507.13010	58.5
508.13519	4.6
533.11029	13.9
551.12085	7.5
650.04254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55835	3.9
72.99316	38.9
75.35155	0.9
84.99314	3.9
85.24065	1.0
87.00880	2.9
96.96004	4.5
98.22681	1.5
105.03448	1.4
107.05024	1.8
108.02195	15.1
109.02954	5.2
112.98822	55.9
117.03443	2.6
119.05019	1.6
122.79839	1.1
123.04552	29.3
132.02121	1.4
133.02983	9.8
134.02846	1.6
134.03761	17.7
135.04536	64.6
137.02364	1.3
141.10632	1.1
144.02197	3.8
145.02972	25.4
146.03764	6.0
147.04536	2.0
147.75394	0.9
149.00912	4.8
149.02399	2.1
149.06133	1.2
151.03996	3.6
151.60356	1.3
157.02956	1.4
158.03705	3.1
159.04546	12.6
160.01703	5.3
161.02460	9.5
163.04002	2.4
173.02484	2.2
175.04027	5.1
177.01930	5.0
179.03520	32.2
185.00854	2.1
185.02449	29.1
186.03258	9.2
193.05020	9.4
195.03011	1.5
197.04565	96.1
198.04816	1.5
203.03545	1.4
209.06110	1.6
210.06865	1.7
220.05334	1.7
221.06122	1.7
223.02501	1.3
233.06052	1.7
237.05531	2.8
238.06331	3.8
247.03972	1.2
248.04778	3.8
249.05576	6.1
251.03450	3.2
264.04071	1.1
265.05048	10.1
266.05817	12.6
267.06659	4.4
276.04300	5.1
277.05090	20.9
278.05768	2.0
281.08185	1.8
283.09903	6.3
292.03839	5.7
293.04575	10.8
294.05362	30.3
295.05716	1.5
301.04147	1.2
307.06006	2.9
309.07721	100.0
310.07980	3.7
320.03235	3.1
325.05542	2.6
327.08774	18.6
335.05643	9.8
337.09338	2.0
353.06598	12.7
357.06122	1.7
389.09131	1.5
507.12979	51.1
508.13382	2.1
533.10913	13.9
551.11938	6.4
857.96185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.3
72.99313	23.1
73.02939	0.7
76.12758	0.6
80.29820	0.5
81.03445	3.3
84.99326	2.5
85.02951	0.6
87.00899	1.0
99.04529	100.0
100.04861	1.4
101.02457	15.0
108.02199	0.6
109.02976	0.8
112.98820	50.9
113.02467	0.9
113.94191	0.5
118.94485	0.6
123.04534	1.7
125.02461	46.1
126.02809	0.8
133.02969	4.5
134.03754	2.2
135.04550	6.7
143.03497	2.8
145.02966	0.8
146.03728	1.4
147.04526	4.1
150.03246	0.9
153.26749	0.6
159.04471	0.9
160.89995	0.6
161.02457	15.6
161.04594	1.8
175.04216	0.7
179.03535	3.3
191.03442	0.7
191.07161	1.2
193.05104	2.2
197.04514	4.0
200.33978	0.5
203.03558	0.6
209.73816	0.5
245.10561	0.6
255.06602	0.8
256.07410	4.6
263.81488	0.7
266.05746	0.7
267.06503	1.1
268.07382	1.3
269.10349	1.1
271.09775	5.4
283.09857	1.3
293.04517	1.2
294.05322	0.6
301.10834	2.2
307.04623	0.7
309.07803	2.7
311.11520	3.5
327.08847	2.4
336.80673	0.6
343.85684	0.6
345.09805	15.6
346.10284	0.9
353.06839	1.2
353.12454	4.2
354.13730	0.6
359.07773	4.7
371.07104	0.8
389.08768	13.3
390.09512	0.9
393.15646	1.7
411.16577	0.7
428.92313	0.6
455.15622	8.6
489.12045	1.5
499.14719	1.1
507.12842	0.8
533.10950	0.9
551.11963	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	859.304
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55614	0.2
68.81250	0.2
71.01378	0.7
72.99316	17.5
73.02947	0.4
76.38863	0.2
91.05595	0.2
101.02497	0.3
105.03471	0.4
107.05057	0.5
109.02926	0.5
112.98828	4.1
113.79642	0.2
116.80370	0.2
123.03648	0.3
123.04543	7.3
132.02158	1.1
133.02974	22.7
134.03783	1.3
135.04543	19.1
135.05318	0.3
136.04881	0.2
147.04565	0.5
151.04024	0.5
161.02461	100.0
162.02777	1.2
163.91489	0.2
179.03516	15.7
180.03850	0.4
185.78316	0.2
191.07144	0.3
197.04576	20.9
198.04893	0.4
223.02466	0.3
229.64542	0.2
256.07443	0.6
271.09714	0.3
283.10318	0.2
293.89362	0.3
309.07513	0.4
345.09830	1.3
359.07758	42.5
360.08105	1.1
389.08783	0.7
455.22937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31145	2.0
72.99325	6.2
84.27704	1.9
96.96074	3.4
119.04965	1.8
133.02982	8.7
134.03752	8.4
134.42242	2.1
135.04549	38.1
145.50580	2.2
161.02467	22.5
163.03979	3.0
179.03488	30.0
189.01740	4.7
191.03595	2.3
201.01712	14.1
213.01738	2.8
223.13480	6.8
238.05154	3.4
239.05838	4.2
250.05219	2.2
251.05978	4.2
252.06589	3.7
267.05478	3.5
268.06226	5.9
280.06061	3.8
282.07803	2.1
296.05475	2.5
310.07098	2.7
313.06076	5.3
328.08203	5.2
335.04266	14.9
350.06491	20.2
352.08197	2.0
360.04492	2.1
380.07407	3.9
389.68259	2.3
406.05637	2.6
424.06564	42.6
425.06647	3.3
439.08929	25.3
482.12408	3.1
486.48053	2.6
498.11667	4.7
513.14044	6.9
557.12726	13.7
583.10687	11.0
584.12860	1.9
601.12109	100.0
602.12390	6.7
763.15234	57.6
764.15637	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	861.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99819	1.5
71.57663	0.4
72.23499	0.3
72.99318	6.8
84.99325	1.1
87.00877	5.4
89.03986	0.9
89.77950	0.4
97.50018	0.4
98.22723	0.8
108.02185	0.8
111.00893	1.9
112.98822	18.7
117.03484	1.8
122.14987	0.4
123.04584	0.4
127.00402	1.2
127.45339	0.4
128.40813	0.4
130.99873	1.3
132.02194	2.1
133.02972	1.1
134.03757	33.2
135.04549	2.9
136.01727	1.0
137.02443	0.6
139.00369	0.6
139.04019	0.5
147.04539	1.1
148.05368	0.6
149.06094	8.7
151.04024	1.5
153.05566	0.8
154.99889	0.6
157.31851	0.4
158.03810	0.7
159.04549	1.2
160.01666	10.9
161.02464	9.9
162.03259	12.8
163.03996	0.9
173.02373	0.7
174.03281	0.8
175.04021	12.6
176.04799	2.7
177.05577	3.8
178.02748	4.5
185.02449	0.7
186.03267	1.6
190.02728	8.3
191.07152	4.6
193.03300	0.8
193.05066	12.4
197.04512	0.9
201.05426	1.0
202.02730	3.3
203.03445	0.5
204.04301	1.5
205.05063	7.9
207.06741	0.4
218.02274	2.4
219.06650	2.8
230.02136	2.8
233.04562	34.6
234.04901	1.1
235.06230	2.2
245.04558	3.8
248.03383	0.5
263.05661	1.6
289.03510	2.2
307.04630	100.0
308.04938	3.9
359.07675	1.2
396.62201	0.4
501.10251	0.5
625.78790	0.4
708.57928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.1
69.81081	0.7
72.99312	6.2
84.03415	0.6
84.99305	0.7
87.00872	6.6
97.80563	0.5
98.22668	1.6
111.00905	1.6
112.98815	9.7
117.03497	1.5
120.83718	0.5
127.00407	1.4
130.99854	2.3
132.02174	1.4
133.02936	0.6
134.03754	33.7
135.04491	2.1
137.02452	0.7
149.00903	1.3
149.06099	9.8
151.03986	1.2
153.05627	0.7
154.99911	1.2
159.04597	0.7
160.01659	6.4
161.02461	6.3
162.03256	8.3
175.02557	0.6
175.04024	11.6
176.04846	3.6
177.05591	3.6
178.02737	4.0
179.03508	1.2
186.03255	1.1
190.02725	6.3
191.07135	4.3
193.05070	28.7
197.04694	0.9
201.05551	1.3
202.02766	2.2
203.25934	0.6
204.04242	1.7
205.05078	7.2
218.02185	2.9
219.06647	2.4
230.02267	3.0
233.04564	38.9
234.04890	0.9
235.06131	2.2
245.04578	2.9
263.05667	1.8
289.03696	3.4
307.04617	100.0
308.04990	3.1
325.05618	10.8
359.07645	0.7
501.10641	0.7
553.13226	0.9
624.04425	0.5
750.87921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99317	15.7
77.03970	0.5
84.99331	2.0
87.00883	2.9
93.50594	0.5
95.05041	1.2
103.00356	0.6
105.03469	2.2
107.05058	0.5
109.02978	2.2
111.84898	0.4
112.98827	23.2
117.03482	1.4
120.51782	0.4
121.02998	0.4
123.04543	6.2
132.02176	1.0
133.02974	33.8
134.02716	0.7
134.03761	18.8
135.04541	23.1
136.04799	0.5
137.02504	0.5
145.02960	0.7
149.00949	1.8
149.02397	0.4
149.06125	2.9
151.04047	1.0
160.01703	1.8
161.02463	100.0
162.02893	2.4
175.04051	2.3
177.01956	5.7
177.05544	0.7
178.02686	1.7
179.03523	14.0
180.04012	0.7
190.02719	1.1
191.07161	1.4
193.05075	17.0
194.05482	0.6
197.04570	17.4
197.06390	0.9
199.63142	0.4
205.05057	0.5
218.02237	0.5
223.02480	0.5
230.02167	0.5
233.04546	5.6
245.04604	0.5
266.05832	0.5
267.06561	1.0
307.04623	14.5
325.05676	9.8
354.07071	0.5
359.07767	54.1
360.08142	2.1
373.09293	0.8
383.90915	0.5
452.64359	0.4
553.13428	1.1
699.20123	0.5
755.90265	0.5
855.48853	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	861.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99825	0.5
72.99318	14.4
77.37997	0.4
84.99310	1.1
87.00884	2.7
89.03945	0.4
93.53352	0.4
96.96028	1.0
103.00406	0.5
109.02946	1.1
112.98827	22.8
117.03492	1.1
119.05037	1.6
123.04542	5.9
130.99896	0.9
132.02190	1.3
133.02971	23.0
134.03764	13.8
135.04549	21.4
145.02989	1.3
147.04471	0.6
149.00922	1.8
149.06129	2.5
151.04008	1.1
160.01665	1.4
161.02464	100.0
162.02899	2.8
163.04016	1.6
170.08017	0.4
175.04001	2.6
176.04779	0.9
177.01935	0.4
177.05531	0.4
178.02814	0.8
179.03506	14.0
180.03831	0.7
185.02483	0.5
190.02779	0.9
191.07152	1.4
193.05075	11.6
193.06754	0.9
197.04581	18.1
197.06406	0.9
203.03508	0.8
203.51799	0.4
205.05052	0.8
219.06512	0.4
233.04539	5.1
235.06134	0.7
240.74809	0.4
245.04573	0.4
274.47552	0.4
277.03644	1.5
307.04636	13.8
308.04965	0.6
325.05664	5.3
359.07761	54.2
360.08170	3.4
373.09485	0.6
375.47089	0.4
429.20999	0.5
430.22202	0.8
638.79016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69276	2.0
69.69646	3.1
72.99306	3.9
91.60381	1.2
93.86557	1.3
96.96016	2.0
108.02127	2.1
108.81482	1.6
109.02963	37.1
123.04520	3.7
135.04561	7.2
136.20407	1.2
147.04509	1.6
147.74751	1.3
149.02441	1.4
159.04601	2.9
161.02443	2.8
173.02406	2.0
175.03955	1.9
179.03519	2.2
185.02449	21.3
186.03249	4.4
193.06500	2.5
197.04501	2.3
209.05928	1.7
221.06064	3.0
224.04787	1.4
225.05603	1.4
247.03954	1.8
248.04839	2.6
249.05669	6.5
250.06277	2.3
251.03499	7.1
252.04185	2.7
265.04913	5.2
267.06592	3.8
273.30630	1.3
276.04230	1.7
277.05032	12.3
278.05508	1.5
279.03003	16.0
280.03781	6.5
292.95288	1.4
293.04623	13.4
295.06140	25.0
303.02991	2.5
311.71536	1.4
321.04053	100.0
322.04361	4.5
324.05136	6.1
327.32169	1.4
339.05078	31.5
340.05243	1.7
440.42972	1.4
491.76883	1.6
519.09436	42.3
519.17023	3.3
520.09619	2.8
534.86926	1.7
537.10706	2.2
630.16736	1.5
664.14813	9.0
745.37292	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
66.67407	4.0
71.01389	64.1
73.02945	10.1
85.02972	21.2
87.00885	14.2
89.02449	79.2
95.01385	4.5
101.02454	59.7
113.02454	45.1
119.03507	14.0
125.02435	9.9
127.05184	4.2
143.03503	14.4
145.23901	3.6
161.04581	12.3
176.39862	3.9
179.05608	35.1
185.87357	4.5
221.06689	24.8
284.43674	4.3
323.09900	5.6
326.75760	3.9
341.11008	5.6
383.12057	42.2
443.14331	4.8
446.54938	4.5
542.69275	4.0
545.17358	27.6
827.26917	100.0
828.27655	9.5
863.23712	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	865.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22311	1.3
72.52573	0.2
72.99315	16.8
81.03502	0.3
84.12319	0.2
84.31451	0.2
91.96732	0.2
93.03484	0.3
95.05044	0.4
96.96032	0.8
99.04530	1.4
101.02466	0.7
105.03460	1.1
107.05036	0.5
109.02964	1.4
112.78698	0.2
117.03465	0.3
121.02972	0.7
122.03794	0.5
123.04544	7.5
132.02164	0.9
133.02977	25.2
134.03743	0.7
135.04543	18.8
136.04865	0.8
145.02953	0.4
149.02496	0.3
151.04010	0.7
161.02464	100.0
162.02789	2.6
165.05629	0.4
177.01979	1.7
178.02312	0.3
179.03514	14.8
180.03928	0.4
197.04573	20.3
198.04871	0.4
201.46304	0.3
223.02515	0.6
224.44545	0.2
254.98422	0.2
267.06445	0.3
313.06973	0.3
339.59268	0.2
357.06293	0.5
357.51947	0.2
358.06671	0.3
359.07745	40.1
360.08090	2.0
361.16516	1.5
403.17746	1.0
443.20731	0.6
447.10846	0.3
505.20877	1.5
505.82849	0.3
506.20486	0.2
553.76538	0.3
685.36090	0.3
693.66846	0.2
769.64386	0.3
873.45941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10881	0.7
62.78208	0.6
70.54215	1.5
72.03615	0.7
72.99311	4.0
108.02181	0.8
109.02961	28.9
116.43891	0.9
121.02899	0.9
123.04533	1.5
129.97890	0.7
134.03746	0.9
135.04533	6.3
145.02979	1.2
147.04510	1.6
149.02422	1.6
157.02972	1.1
159.04530	2.7
161.02473	1.5
171.75838	0.9
173.02441	2.2
179.03540	3.5
185.02454	23.6
186.03317	4.3
187.03940	1.0
193.06610	1.0
197.04605	2.3
203.03481	1.1
209.06168	1.2
221.06058	4.2
222.49474	0.8
223.03920	0.9
225.05602	2.5
229.01550	0.9
237.05550	2.1
239.07179	1.4
247.04019	1.8
248.04736	2.2
249.05566	9.1
250.02991	1.2
250.05981	0.7
251.03497	5.5
252.04222	2.0
253.05031	1.1
264.04233	1.7
265.05032	7.4
266.05865	1.3
267.06680	3.2
275.03485	1.5
276.04199	1.9
277.05066	11.6
278.05624	1.5
279.03006	14.0
280.03766	4.6
292.03873	1.4
293.04593	11.6
295.06168	21.9
296.06369	1.8
303.03036	3.4
321.04074	93.4
322.04538	4.1
339.05099	20.8
340.05606	0.7
393.78195	0.7
475.10419	1.3
493.11493	3.4
519.09375	100.0
520.09570	4.9
537.10431	2.6
588.05707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26450	0.7
67.13768	0.5
68.64298	0.6
68.70011	0.6
69.23679	3.8
72.99316	3.5
79.64468	0.6
98.22681	1.4
108.02195	1.1
109.02966	30.2
110.03300	0.8
113.04002	0.8
121.02967	1.2
123.04550	2.5
134.03783	1.0
135.04529	6.9
145.02945	0.9
149.02466	1.3
157.02980	1.8
158.79358	0.6
159.04524	2.8
161.02481	0.7
169.86111	0.6
173.02475	2.9
174.03175	0.8
175.03992	1.2
179.03528	3.1
184.01680	1.2
185.02461	22.0
186.03226	5.3
193.06602	2.3
197.04564	2.5
203.03427	0.8
203.74362	0.7
220.05363	1.3
221.06041	3.6
223.04034	1.8
224.04956	1.1
225.05582	1.8
232.05382	0.8
237.05542	1.6
239.07217	1.0
247.03989	1.6
248.04779	2.4
249.05547	8.1
251.03485	6.0
252.04318	2.2
253.05241	1.1
264.04221	0.9
265.05063	9.4
266.05829	1.5
267.06619	3.9
267.24744	0.7
275.03412	1.6
276.04370	2.5
277.05090	12.4
278.05615	1.3
279.03003	16.9
279.05939	1.5
280.03864	5.7
292.03720	1.0
293.04538	12.3
294.05316	1.2
295.06125	24.8
296.06680	1.3
303.03101	2.4
321.04056	100.0
322.04315	5.3
339.05109	22.1
340.05569	1.6
341.05792	0.8
475.10480	1.0
493.11707	2.4
501.32202	2.0
519.09381	99.8
520.09717	5.2
537.10046	3.0
725.10468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	3.7
71.43234	1.1
72.99300	1.2
73.02958	4.6
82.48155	0.7
83.01413	1.6
83.25346	0.6
84.70929	0.8
85.02975	1.4
89.02451	1.7
96.96011	1.1
101.02448	6.7
105.03499	0.6
109.02972	0.8
113.02451	2.8
131.03513	3.7
133.02956	2.4
135.04546	3.0
161.02478	4.5
163.04091	1.0
179.03549	1.5
203.05702	0.9
258.52280	0.7
268.65793	0.7
359.07800	1.4
416.71460	0.8
487.34348	100.0
488.28168	1.3
488.34689	10.7
501.35825	4.5
508.17230	0.9
529.35431	23.3
530.35724	2.8
559.36298	1.9
614.83020	0.8
661.39636	1.9
823.44135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	1.9
72.99271	0.6
73.02962	4.7
83.01382	1.1
84.50806	0.4
85.02965	1.0
89.02455	0.9
96.95985	0.5
97.74258	0.4
101.02466	5.2
109.02951	0.4
113.02486	1.9
119.63183	0.4
125.02467	0.6
127.29183	0.4
131.03510	3.1
133.02962	1.2
135.04527	1.9
143.03499	0.5
153.91711	0.4
161.02477	4.3
161.04570	0.7
177.01874	0.6
179.03511	1.0
197.04713	0.6
209.11905	0.9
221.30606	0.4
267.06607	0.8
295.06097	0.5
311.05765	0.6
359.07724	0.5
367.11594	0.4
379.30014	0.8
409.31339	0.8
487.34357	100.0
488.34668	7.9
497.33011	2.1
501.35919	5.6
502.35867	0.6
509.33124	0.7
529.35400	20.2
530.35822	1.6
559.36725	1.4
619.38562	1.0
661.39423	2.9
705.83508	0.4
823.45044	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	868.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	40.9
69.17422	8.4
69.17834	4.3
72.99325	4.2
96.96030	5.7
107.03798	4.1
109.02977	5.8
120.08202	6.1
122.06124	22.9
123.04507	3.5
133.02985	7.8
134.06119	5.4
135.04512	15.1
149.02411	3.3
152.07201	27.2
161.02458	15.9
161.04587	2.4
179.03490	5.6
197.04643	3.8
223.08681	2.4
237.10378	4.6
251.11748	2.7
264.08908	4.0
279.11465	12.6
280.12329	3.2
287.66269	2.6
291.11447	3.3
305.12833	3.8
321.03986	5.7
327.72931	2.5
342.15982	4.3
353.03653	2.8
359.07391	3.3
488.18634	5.6
502.20291	4.7
520.09869	4.3
520.21021	12.6
567.26154	5.4
593.24170	5.5
611.25256	28.0
612.25067	3.4
625.26801	5.6
643.27783	100.0
644.28351	7.3
685.28839	7.7
689.54242	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	868.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	40.9
69.17422	8.4
69.17834	4.3
72.99325	4.2
96.96030	5.7
107.03798	4.1
109.02977	5.8
120.08202	6.1
122.06124	22.9
123.04507	3.5
133.02985	7.8
134.06119	5.4
135.04512	15.1
149.02411	3.3
152.07201	27.2
161.02458	15.9
161.04587	2.4
179.03490	5.6
197.04643	3.8
223.08681	2.4
237.10378	4.6
251.11748	2.7
264.08908	4.0
279.11465	12.6
280.12329	3.2
287.66269	2.6
291.11447	3.3
305.12833	3.8
321.03986	5.7
327.72931	2.5
342.15982	4.3
353.03653	2.8
359.07391	3.3
488.18634	5.6
502.20291	4.7
520.09869	4.3
520.21021	12.6
567.26154	5.4
593.24170	5.5
611.25256	28.0
612.25067	3.4
625.26801	5.6
643.27783	100.0
644.28351	7.3
685.28839	7.7
689.54242	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	869.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40684	1.6
65.04436	1.8
69.19017	9.5
72.99315	5.5
73.64515	1.8
75.98793	1.8
78.97152	1.7
84.20947	1.7
92.62149	1.7
93.63212	1.5
96.96009	7.1
97.47752	1.9
109.02954	30.3
116.84745	1.6
123.04511	3.4
124.01652	2.0
133.02957	4.0
135.04497	4.8
147.04524	3.5
151.03897	1.7
159.04533	3.6
161.02448	4.9
173.02444	2.0
175.04158	2.0
179.03548	2.9
183.04866	1.7
185.02441	24.9
186.03122	4.9
193.06470	1.7
197.04498	2.1
219.04419	2.5
221.06021	6.6
248.04883	3.0
249.05496	9.3
251.03477	7.3
252.04080	2.5
265.04993	7.6
267.06592	4.8
276.04422	1.8
277.05017	9.3
279.03094	14.6
280.03741	4.6
293.04642	11.6
295.06094	20.6
303.03079	2.4
321.04047	100.0
322.04431	4.3
339.05099	32.1
349.09341	2.1
359.07782	3.6
519.09143	9.6
671.13995	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	869.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02885	1.7
72.99308	3.4
96.96043	1.3
104.98806	0.5
108.02169	1.0
109.02960	27.4
115.26811	0.6
121.02952	1.3
123.04526	1.5
133.02936	1.4
134.03795	0.7
135.04541	5.9
137.02411	0.6
139.03978	0.7
145.02917	0.9
147.04512	1.3
149.02477	1.0
151.04054	0.6
157.02985	1.0
159.03302	0.6
159.04538	2.5
161.02460	2.5
163.49629	0.6
173.02457	1.6
174.28534	0.6
175.04019	1.3
179.03534	2.1
185.02455	20.1
186.03206	4.7
193.06595	1.6
197.04573	2.2
201.01840	0.6
203.03563	0.8
204.05849	0.7
209.06239	0.8
220.05246	1.1
221.06125	3.7
223.03981	1.2
224.04848	0.7
225.05605	2.7
229.01500	0.6
232.05225	1.1
235.04153	0.7
236.04938	0.6
237.05554	2.0
239.07195	1.6
247.03999	1.3
248.04811	2.2
249.05582	9.1
249.08008	0.7
250.02852	0.6
250.06143	0.9
251.03484	6.1
252.04268	3.1
253.04947	0.7
264.04297	0.6
265.05026	6.1
266.05832	0.9
267.06586	3.6
275.03500	1.5
276.04242	1.4
277.05060	10.2
278.05545	1.3
279.03000	15.0
280.03705	4.3
293.04596	10.8
294.05051	0.7
295.06140	21.8
296.06476	1.4
303.02853	2.8
314.38974	0.5
321.04062	100.0
322.04333	5.6
339.05106	26.6
340.05429	1.1
349.09583	0.7
359.07498	1.4
493.11624	1.8
519.09387	37.0
520.09473	3.1
671.14240	6.2
672.14612	0.8
788.18921	0.6
873.08240	0.6
899.46741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47324	0.3
69.70039	1.1
71.01378	0.9
72.99318	14.7
73.02946	1.3
74.72376	0.3
79.49046	0.3
83.01393	0.7
83.22713	0.3
84.48804	0.3
85.02958	0.5
94.83416	0.3
101.02458	1.0
101.77796	0.3
107.05056	0.6
109.02999	0.4
123.04538	6.5
125.02485	0.4
132.02168	0.7
133.02975	22.5
134.03764	0.3
135.04544	18.0
136.04884	0.3
151.04033	0.3
161.02463	100.0
162.02837	1.9
179.03516	14.6
189.57497	0.3
197.04570	19.7
198.04904	0.7
215.10745	0.5
217.12343	0.7
223.02402	0.5
227.03484	0.4
245.11842	6.6
283.02362	0.7
284.03314	0.7
285.04083	1.8
359.07761	47.5
360.08005	2.1
389.54642	0.3
467.19427	0.6
489.10657	1.4
623.14447	1.3
649.57831	0.3
727.17194	0.4
732.64624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12269	0.4
71.01392	2.3
72.99315	15.9
73.02945	1.7
78.96265	0.4
89.02441	0.7
97.02953	0.4
101.02470	1.1
107.05030	0.7
109.02954	0.7
113.02439	1.0
117.03503	0.4
123.04536	7.1
125.09687	0.5
132.02159	0.9
133.02971	22.2
134.03745	0.6
135.04538	19.0
140.18456	0.4
140.92519	0.4
151.04066	0.6
161.02460	100.0
162.02783	2.4
179.03523	13.6
191.14354	0.5
197.04561	19.9
198.04883	0.7
203.14314	0.6
221.15462	0.8
263.78110	0.4
265.14493	2.7
359.07755	40.4
360.08212	1.8
409.18887	0.6
427.20026	0.9
457.70660	0.4
469.20856	8.7
470.20813	0.4
627.41876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	19.9
71.42945	2.3
72.99319	6.9
73.02956	12.4
75.00907	3.6
83.01408	2.7
85.02969	11.4
89.02473	4.4
95.01443	2.3
95.05061	1.8
96.95988	1.5
99.00892	1.6
101.02448	16.3
108.02227	2.2
109.02988	2.0
113.02457	20.7
119.03553	3.0
123.04563	6.8
125.02467	4.0
131.07140	2.9
133.02962	5.9
134.03809	2.7
135.03596	3.0
135.04547	24.2
143.03574	2.5
151.04059	8.3
152.04337	2.8
160.01674	6.9
161.02510	11.9
161.04584	7.4
162.02707	1.9
164.80634	1.5
175.04016	14.0
179.03516	10.3
191.71703	1.4
197.04533	7.7
201.04086	1.6
215.14572	2.1
238.20634	1.6
251.16544	16.0
293.12347	3.2
323.18457	2.0
341.91071	1.9
359.07877	2.6
373.09384	5.6
395.20752	60.7
395.25940	3.2
413.21701	8.3
455.22931	100.0
456.23599	4.9
499.18469	5.5
768.68738	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	873.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41069	12.4
70.91911	27.6
84.46297	11.0
99.92621	12.4
114.93451	25.9
116.92870	87.8
132.77596	12.6
148.47923	11.5
159.55620	14.9
170.05678	14.2
170.25189	12.5
170.82172	12.9
197.11836	30.9
218.09102	11.8
236.84888	15.7
253.09158	20.3
291.19708	19.9
309.20639	100.0
320.08585	13.0
429.72647	13.1
670.84576	16.1
873.47534	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13211	64.0
95.79295	9.0
116.92877	100.0
123.31856	8.8
164.01189	9.2
167.54405	8.7
167.72092	9.5
168.58066	9.1
197.11845	17.1
199.43587	8.9
253.09152	15.7
291.19937	12.4
309.20773	59.1
372.83893	10.2
873.47827	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17941	0.3
71.01401	0.4
72.99316	2.4
79.96213	0.3
90.32825	0.4
93.03463	0.5
96.96017	0.7
98.21893	0.9
101.02473	0.3
108.02181	1.0
109.02966	13.1
109.38129	0.2
121.02959	1.0
123.04522	1.2
132.36501	0.3
133.02979	1.4
134.03789	0.7
135.04535	5.0
137.02498	0.4
145.02985	0.3
151.04042	0.5
159.04466	0.3
160.01724	0.3
161.02443	2.8
175.03975	0.3
177.02063	0.4
179.03525	1.4
185.02455	0.9
197.04581	1.8
207.04495	0.3
219.02946	0.4
221.06111	0.4
225.05672	0.5
232.05341	0.5
233.06024	0.7
237.05746	0.3
244.05290	0.4
245.06120	0.9
247.04022	0.4
249.05606	1.5
251.03513	0.3
252.04228	0.5
260.04608	0.3
261.05609	1.0
262.06653	0.3
263.03387	0.5
263.07111	0.4
264.04187	0.3
265.05063	1.0
266.05762	0.5
267.06363	0.5
272.04718	0.8
273.05649	0.7
275.03442	0.4
276.04227	0.7
277.05154	1.8
278.05524	0.4
279.03043	6.9
279.06305	0.6
280.03677	0.6
288.04303	0.8
289.05157	1.6
291.03220	0.4
291.06854	0.4
292.03845	0.5
293.04614	1.3
295.06210	1.1
300.04333	0.5
301.05093	1.3
303.03073	0.4
305.04474	1.2
307.06201	0.6
309.04132	0.5
311.07007	0.7
315.02939	0.4
316.03711	1.2
317.04492	1.7
319.02448	0.8
319.06204	1.7
320.03253	0.4
321.04025	6.6
325.08615	0.4
332.03244	0.6
333.04022	1.7
335.07224	0.4
337.08383	0.4
339.05072	2.7
342.09338	0.4
344.03247	5.3
345.04047	8.1
348.02646	0.4
351.06601	0.7
353.08289	1.1
356.06924	0.4
357.06195	0.4
359.07529	0.5
363.06046	0.6
365.08249	0.7
366.05463	0.9
367.05991	1.1
369.07608	0.5
371.01913	0.5
371.09232	0.3
373.03110	0.4
376.02313	7.3
377.02994	0.8
379.06104	0.6
380.06943	0.9
381.07764	2.2
383.05478	1.8
384.06125	0.4
385.06949	0.7
389.03113	0.4
391.06128	0.4
393.07886	0.7
395.05750	2.7
396.06232	0.4
397.07123	0.8
399.08838	0.8
407.05728	0.8
408.06299	0.6
409.07269	2.4
411.05112	1.3
412.05942	1.9
413.06711	0.6
419.05591	0.6
423.05386	0.4
425.06674	2.0
427.08353	2.1
429.09619	1.8
435.05231	1.0
437.06662	4.7
439.04596	15.8
440.05032	1.9
453.06146	4.3
455.07764	10.9
456.08099	0.8
463.04602	1.7
473.08795	5.8
481.05698	100.0
482.06140	5.2
499.06787	29.5
500.07187	1.7
517.07611	1.4
519.09430	2.0
555.11847	0.7
653.13135	6.7
654.13416	0.6
672.39569	0.3
679.10992	20.9
680.11145	1.9
697.12439	1.0
877.15082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82674	0.4
71.01019	0.7
71.01389	9.0
72.99316	0.8
73.02930	0.7
80.00649	0.3
83.01398	0.6
85.02949	2.4
89.01942	0.7
89.02456	8.0
95.01386	0.7
101.02454	7.2
105.57299	0.3
109.02971	0.5
112.98815	0.6
113.02460	3.8
119.03506	3.4
121.29687	0.3
123.04650	0.4
123.40939	0.4
133.02988	0.4
134.03743	0.6
135.04535	1.6
151.04008	0.7
160.01659	0.6
161.02435	1.0
163.11327	4.0
175.04071	0.7
181.73163	0.4
207.10271	7.7
307.04813	0.6
328.10379	1.4
349.62216	0.4
387.16635	100.0
388.16995	3.7
395.65826	0.4
445.20782	0.6
489.16193	0.5
490.13736	0.7
583.36115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09720	0.5
67.93714	0.5
69.49439	2.2
72.36780	0.5
72.99316	4.2
75.70873	0.5
81.03459	0.9
82.61365	0.6
91.08452	0.5
92.13884	0.6
98.21816	0.6
108.02190	1.1
109.02960	28.7
109.76756	0.5
110.03318	0.6
113.93374	0.5
121.02966	1.8
123.04521	1.7
134.03706	1.0
135.04533	7.5
145.02939	1.0
147.04503	1.3
157.02992	1.5
159.04546	3.0
161.02484	1.7
162.81827	0.6
173.02451	2.2
175.04008	1.5
179.03532	1.8
185.02449	19.1
186.03210	5.5
193.06619	1.6
197.04565	1.8
205.06566	0.7
209.06030	1.5
219.04565	1.0
220.05353	0.9
221.06117	2.9
223.04044	1.7
224.04837	0.7
225.05580	2.1
232.05353	1.1
236.04820	0.7
237.05650	1.7
239.07149	1.3
247.04021	2.3
248.04736	2.9
249.05592	7.7
250.02756	0.9
250.06282	0.9
251.03508	6.1
252.04309	1.9
253.05212	0.7
263.03635	0.8
264.04343	1.5
265.05051	6.9
266.05649	1.2
267.06677	4.3
275.03391	1.2
276.04306	2.0
277.05081	11.8
278.02347	0.7
278.05615	1.2
279.03012	15.2
280.03656	5.3
292.03934	0.7
293.04611	10.0
294.05081	0.9
295.06131	21.6
296.06592	0.7
303.03061	1.9
319.02570	0.7
321.04068	100.0
322.04459	4.4
336.29816	0.6
339.05127	25.8
340.05505	1.1
358.09186	1.3
359.07980	0.6
410.48697	0.5
439.86313	0.6
491.82953	0.6
493.12115	1.1
519.09344	55.7
520.09790	4.9
537.10687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23503	2.2
72.99313	10.1
88.86090	2.2
96.82980	2.2
96.96001	2.4
97.24618	2.5
108.02189	4.5
108.85719	2.4
109.02965	65.5
110.03333	2.6
121.02863	2.4
123.04510	4.0
133.02953	8.0
134.03827	2.5
135.04539	26.2
137.02469	6.2
149.02414	3.9
150.42130	2.5
151.04001	3.9
157.02945	4.2
159.04553	5.3
161.02505	11.6
173.02454	4.3
179.03505	13.4
185.02455	44.0
186.03131	9.6
186.51106	2.5
197.04529	8.1
209.06079	2.5
220.05229	3.4
221.06146	6.1
225.05524	4.6
237.05403	3.3
248.04884	4.8
249.05663	11.7
251.03485	5.0
251.07147	2.9
252.04167	4.1
253.04805	3.1
264.04572	2.8
265.05026	10.8
266.05737	3.9
267.06589	8.8
269.08200	3.7
276.04163	3.0
277.05112	23.2
278.05606	2.7
279.03024	30.0
280.03595	8.5
292.03845	3.3
293.04596	21.5
294.05048	3.6
295.06174	37.3
303.02951	3.2
304.03784	2.4
319.02811	3.1
321.04059	96.3
322.04459	11.0
339.05136	100.0
340.05432	3.5
349.74149	2.6
359.07532	6.0
361.09329	6.3
457.09000	3.7
483.07126	3.1
501.08524	6.7
519.09308	43.8
520.09338	5.4
523.12775	3.2
681.12726	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	879.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37244	8.3
71.86725	1.8
72.99309	11.0
107.82318	1.7
108.02203	2.8
109.02969	79.8
119.18256	1.9
123.04519	5.5
135.00841	2.0
135.04539	19.5
145.02960	5.4
147.04530	2.5
149.02396	1.9
149.76740	1.6
157.02934	3.7
157.76723	1.9
159.04521	6.1
168.08788	1.9
173.02426	4.9
179.03479	8.2
185.02451	53.6
186.03192	9.2
193.06625	2.9
197.04581	5.5
211.04050	2.6
219.04475	2.2
221.06105	5.5
223.03923	1.9
225.05498	2.4
235.03993	3.9
237.05600	4.1
239.07396	2.0
247.03963	2.8
248.04849	2.2
249.05537	11.4
250.02638	3.1
251.03513	6.4
263.03387	2.4
264.04279	3.5
265.04910	11.8
266.05695	3.4
267.06601	5.9
275.03510	3.6
276.04239	6.3
277.05066	19.0
278.02255	7.7
279.03021	30.9
280.03696	7.1
291.02942	2.4
292.03833	6.6
293.04568	22.3
294.05310	8.7
295.06152	45.8
303.02820	3.4
320.03372	12.1
321.04053	100.0
322.04309	3.6
339.05151	30.2
408.09241	2.1
457.11429	14.6
483.09409	57.7
484.09747	2.6
501.10437	27.9
519.09265	36.9
655.16522	5.0
681.14709	87.5
682.15112	7.1
699.15814	4.1
767.17798	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	879.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82002	1.0
69.06814	6.3
72.99318	7.5
74.02579	1.0
94.91576	1.0
108.02158	1.5
109.02962	59.8
110.03326	1.0
113.03939	1.5
121.02988	1.8
123.04524	3.5
132.55692	1.1
134.03746	1.9
135.04549	18.4
135.84747	1.0
145.02951	3.1
147.04483	2.5
149.02457	1.7
151.03954	1.2
157.02940	1.6
159.04501	6.5
173.02469	2.9
175.04056	1.4
179.03534	5.0
185.02446	39.0
186.03183	6.9
197.04535	5.7
203.03650	1.3
209.06107	2.1
217.37976	1.1
220.05417	2.1
221.06158	5.4
223.03964	1.5
223.07745	1.3
225.05534	3.3
237.05695	2.5
239.07146	1.2
247.04066	1.2
248.04758	2.7
249.05602	12.2
250.02698	1.1
251.03529	5.0
252.04242	4.1
253.05043	1.5
263.03421	1.4
264.04233	2.0
265.05066	8.9
266.05887	2.2
267.06702	5.0
275.03323	2.1
276.04303	2.9
277.05051	17.8
278.02414	1.2
278.05676	1.3
279.03033	17.7
280.03732	6.2
291.03049	1.9
291.06668	1.4
292.03839	2.5
293.04544	19.2
294.05304	2.0
295.06137	34.7
296.06253	2.4
303.03012	3.4
320.03174	3.2
321.04065	100.0
322.04553	5.0
339.05078	31.5
359.09732	1.3
385.44788	1.0
457.11316	6.5
465.71548	1.1
483.09357	28.3
484.09644	2.4
501.10406	11.2
519.01715	2.1
519.09375	33.1
520.09558	3.1
655.16797	4.1
681.14648	61.1
682.15125	6.4
699.15533	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	879.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55759	0.9
69.08737	3.8
69.09155	2.5
72.99310	7.1
86.50900	1.0
97.26313	0.9
108.02181	1.8
109.02965	48.6
121.02953	1.4
123.04538	2.7
134.03787	1.7
135.04550	16.9
145.02989	2.4
145.21742	1.0
147.04530	1.8
149.02467	1.6
157.02954	2.0
158.03568	0.9
159.04503	5.2
161.02328	1.2
173.02448	4.0
175.03946	1.4
179.03537	6.1
185.02463	35.1
186.03218	6.7
193.06580	1.4
197.04553	6.0
203.03526	1.6
204.05835	1.7
209.06149	1.6
219.04443	1.3
220.05255	1.7
221.06114	4.5
224.04817	1.1
225.05635	2.9
237.05525	2.9
239.07141	2.2
247.03920	2.4
248.04755	2.7
249.05519	9.2
251.03513	3.6
251.07294	1.0
252.04303	1.9
264.04214	2.3
265.05020	8.2
266.06012	1.5
267.06693	5.7
269.08124	2.5
276.04285	3.1
277.05060	16.3
278.02316	1.6
278.05698	1.6
279.03058	17.9
280.03745	7.1
293.04602	17.6
294.05258	4.0
295.06134	27.0
296.06351	2.1
303.03079	2.0
320.03296	3.4
321.04053	100.0
322.04306	4.2
339.05106	31.8
359.09778	2.0
457.11493	5.9
483.09305	23.0
493.11505	2.4
501.10406	12.1
519.09375	44.8
520.09552	3.2
561.10168	1.6
655.16559	4.9
681.14661	50.9
682.14691	5.7
693.73926	1.1
699.15723	4.9
763.92468	1.0
803.87891	1.2
819.08826	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18169	6.3
72.99307	8.8
81.03523	1.2
94.84066	0.9
97.83535	1.0
108.02169	1.3
109.02965	57.9
118.24821	0.9
121.02954	1.7
123.04523	3.0
126.11163	1.0
134.03740	1.5
135.04561	14.7
143.42929	1.1
145.02991	2.8
147.04503	2.0
149.02487	1.3
153.51759	1.1
157.03021	3.0
158.03734	1.9
159.04552	5.2
161.02501	1.9
173.02414	2.4
176.12726	1.0
177.05476	1.2
179.03598	5.3
185.02458	38.6
186.03221	6.1
192.97072	1.1
197.04559	6.1
201.01974	1.7
203.03590	1.4
209.06180	1.7
221.06119	3.8
224.04889	2.1
225.05632	2.4
232.05310	1.4
235.04105	1.6
236.04794	1.8
237.05623	1.4
238.06371	1.5
239.07249	1.8
247.04051	1.5
248.04875	3.5
249.05515	11.7
251.03603	5.1
252.04320	4.3
253.05035	1.4
263.03659	1.8
264.04340	1.6
265.05035	7.6
266.05862	2.0
267.06613	6.7
275.03644	2.0
276.04251	2.0
277.05106	17.7
278.05710	1.2
279.03015	15.6
280.03735	5.3
291.03061	1.8
292.03891	1.5
293.04587	17.1
294.05325	3.3
295.06125	38.2
296.06271	1.1
304.03882	1.3
311.06888	1.1
320.03198	3.7
321.04056	100.0
322.04446	3.1
339.05127	32.1
359.09903	3.1
442.89511	1.1
457.11533	5.2
483.09332	24.4
484.09619	1.3
493.11166	1.8
501.10486	11.2
519.09351	43.0
520.09918	2.2
589.30103	1.0
655.16882	3.0
681.14655	52.3
682.14832	4.0
699.15820	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	881.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49898	0.4
70.69379	1.0
72.99319	5.4
81.03477	0.5
86.92181	0.4
88.56062	0.5
91.01900	0.8
107.01462	0.5
108.02176	1.4
109.02961	34.5
114.50094	0.5
121.02965	1.1
123.04561	2.4
126.29183	0.6
133.02930	0.7
134.03763	1.6
135.04536	9.6
137.02463	0.9
145.02966	1.8
147.04520	1.5
148.01717	1.5
149.02460	1.5
150.03235	0.8
151.03986	1.2
157.02933	2.4
158.03682	0.9
159.04510	3.4
161.02437	0.7
173.02460	3.1
175.04018	1.4
179.03496	4.1
184.01636	0.9
185.02448	26.8
186.03226	5.5
187.04031	1.0
193.06526	1.6
197.04533	3.6
198.03145	1.2
203.03516	1.2
204.05876	1.1
209.06110	1.5
213.01950	1.5
213.05510	0.9
219.04515	1.6
220.05209	0.9
221.06076	4.5
223.04053	1.2
224.04787	0.9
225.05597	2.2
229.01382	1.0
232.05334	0.7
235.04099	1.0
236.04794	0.6
237.05591	2.1
239.07199	1.7
247.04012	2.2
248.04681	3.1
249.05597	8.4
250.02771	0.7
250.06209	1.3
251.03528	4.5
251.05865	0.5
251.07054	0.6
252.04321	2.4
253.05107	1.0
263.03549	1.5
264.04260	1.5
265.05087	7.5
266.05704	1.1
267.06680	4.9
269.08063	0.8
275.03522	1.9
276.04343	2.3
277.05045	14.0
278.05783	1.5
279.03012	16.6
280.03745	5.1
292.03839	1.9
293.04602	16.1
294.05304	3.4
294.75320	0.6
295.06131	25.8
297.03622	0.6
303.03107	3.1
308.06772	0.7
319.02496	4.0
320.03250	2.0
321.04050	100.0
322.04681	5.9
337.03619	0.8
338.04272	0.6
339.05099	43.1
340.05661	1.4
359.54742	0.6
361.09399	2.7
378.78293	0.6
459.10892	1.2
473.08658	1.7
474.09439	1.2
485.08868	10.2
493.11554	3.2
503.09882	2.1
517.07782	0.6
518.08435	2.0
519.09369	59.0
520.09576	2.8
537.10413	0.9
657.16058	0.6
683.14172	9.2
701.15161	1.2
846.07062	0.6
858.43890	0.7
876.58398	0.5
895.49445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06845	0.7
69.12050	1.2
69.12452	4.6
72.99313	9.9
107.05019	1.0
108.02174	1.3
109.02960	44.9
113.04018	0.9
117.92608	0.7
121.02993	1.9
122.03764	1.3
123.04546	5.4
129.08299	0.7
134.03706	1.4
135.04533	18.8
145.02922	4.9
146.03729	1.2
147.04517	2.2
148.01671	1.8
149.02422	1.1
150.03185	1.9
157.02948	2.4
158.03642	1.5
159.04524	7.4
161.02475	1.7
173.02473	4.8
174.03238	2.3
175.04013	1.7
177.03891	0.9
179.03534	7.4
185.02444	39.7
186.03226	5.9
187.03807	0.9
193.06613	2.5
195.04568	0.9
196.05367	0.7
197.04561	7.7
201.02087	0.8
203.03502	1.5
209.06200	1.2
213.01884	1.5
219.04616	1.8
220.05290	1.5
221.06065	4.4
223.04164	1.5
224.04767	1.3
225.05574	1.9
229.01445	2.7
232.05284	0.9
235.04045	2.0
236.04900	1.1
237.05536	3.4
239.07143	2.4
247.03995	2.6
248.04726	4.1
249.05579	10.2
250.02605	0.9
251.03488	5.6
252.04257	2.7
253.04980	1.8
260.04761	0.7
263.03564	3.6
264.04276	3.5
265.05038	11.7
266.05817	1.8
267.06638	5.5
269.08148	1.2
275.03552	2.9
276.04279	3.3
277.05096	15.1
278.02173	1.1
278.05978	1.0
279.03024	17.3
280.03586	4.1
291.02988	3.7
292.03799	4.6
293.04575	26.0
294.05316	4.5
295.06128	33.3
296.06339	1.8
303.02945	3.2
308.80734	0.9
311.05481	1.8
319.02472	10.4
320.03250	3.5
321.04050	82.4
322.04529	5.6
339.05096	29.5
339.09244	1.3
340.05392	1.6
357.79504	0.8
411.05353	0.9
427.08502	1.0
453.06052	1.6
459.10812	6.6
471.06995	1.2
475.10422	1.4
485.08817	40.1
486.09103	2.2
493.11502	6.3
503.02972	1.0
503.09647	6.1
517.08099	1.4
519.09344	100.0
520.09662	5.6
536.09790	2.0
537.10541	1.3
651.11652	2.2
657.16199	1.7
683.14105	9.5
701.15277	4.5
771.97864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.2
69.20004	1.1
70.74596	0.2
72.99317	15.6
91.05552	0.2
98.22689	0.4
99.04562	0.3
105.03485	0.3
107.05051	0.5
108.97056	0.2
109.02974	0.7
123.04539	6.6
132.02168	0.8
133.02975	23.5
134.03807	1.4
135.04543	24.1
136.04846	0.4
151.04117	0.3
159.49289	0.2
161.02464	100.0
162.02791	1.5
163.18443	0.2
177.01965	1.4
178.02779	0.2
179.03519	14.7
180.03836	0.3
197.04576	18.2
198.04884	0.2
216.21347	0.2
220.49232	0.2
223.02641	0.4
359.07758	44.0
360.08069	1.2
477.11792	0.3
521.10986	0.5
582.67285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99319	15.1
98.21897	1.3
105.03468	0.5
107.05035	0.4
109.02980	0.4
123.04545	6.7
132.02194	1.3
133.02982	23.4
134.03740	1.2
134.85922	0.4
135.04543	24.5
151.04073	0.5
161.02466	100.0
162.02762	1.8
177.01971	1.3
179.03520	15.3
197.04573	20.3
223.02557	0.5
343.08060	0.5
359.07761	45.6
360.08038	1.2
521.11407	0.5
631.77008	0.5
650.84082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09134	0.5
71.42314	0.9
72.98902	0.9
72.99316	15.9
97.34133	0.5
117.03377	0.6
120.97833	0.6
123.04544	7.2
132.02206	0.9
133.02971	23.5
133.09746	0.6
134.03761	1.5
135.04544	24.4
151.04048	0.6
161.02464	100.0
162.02820	1.4
177.01956	1.4
179.03514	15.5
197.04559	20.1
359.07745	39.6
360.08163	1.5
460.13483	0.6
600.38574	0.7
627.87427	0.6
732.35559	0.7
839.01605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05244	3.2
72.99313	12.4
72.99698	0.7
105.03468	0.7
107.05089	0.8
109.03005	0.7
112.98837	1.1
115.04031	0.7
117.03484	1.8
123.04541	6.1
124.04949	0.6
132.02206	2.2
133.02966	18.5
134.03745	1.3
135.04547	32.2
136.04840	1.1
143.47417	0.4
151.04021	1.7
160.01640	2.7
161.02463	100.0
162.02823	3.9
163.02859	0.4
177.01874	0.6
179.03516	24.2
180.03886	1.6
181.04021	0.5
193.04999	0.6
197.04565	15.8
286.48779	0.5
296.06638	0.5
323.07764	19.6
324.08139	1.2
341.08932	3.0
342.08978	1.1
359.07684	62.1
360.07968	3.1
361.08310	0.9
521.13068	21.7
522.13287	1.8
523.14227	0.6
638.11450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49439	0.6
69.36523	2.9
69.73183	0.5
72.99316	42.4
73.20809	0.5
98.21798	0.9
99.66176	0.5
103.87373	0.5
107.05057	0.9
109.02945	1.7
123.04536	13.0
133.02962	5.0
134.03731	1.4
135.04543	35.1
136.04756	0.7
151.04001	1.4
157.03131	0.6
161.02455	17.0
162.02776	0.8
171.12148	0.5
179.03519	30.0
180.03857	1.5
185.02388	0.7
197.04570	73.9
198.04967	2.8
295.06216	1.3
323.07718	1.8
326.60764	0.6
341.08966	0.7
359.09940	100.0
360.10205	5.6
361.10376	1.1
521.13062	27.3
522.13562	3.0
523.14117	0.6
637.56610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	4.8
71.11338	0.8
71.40765	0.8
72.99303	2.1
73.02951	7.7
83.01403	3.0
89.02428	1.1
95.97241	0.7
96.96010	1.2
101.02454	13.5
109.02964	2.5
113.02457	1.5
119.03488	2.0
123.04555	1.0
133.02904	1.3
134.03838	0.7
135.04503	2.6
143.03564	1.4
155.05128	0.7
161.02444	3.2
161.04587	2.0
178.63524	0.7
179.03424	0.8
190.08858	0.7
197.04567	1.0
198.12846	0.7
203.05664	4.2
295.06052	1.6
321.04083	2.3
339.05106	2.2
359.07748	1.5
382.89938	1.0
471.34830	100.0
472.35083	8.0
485.36450	2.9
487.34326	0.9
513.35870	3.2
717.41907	1.5
837.47314	1.4
863.80884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22803	0.7
77.89003	0.6
79.04612	0.6
79.66212	0.5
83.01363	0.6
99.31182	0.6
108.02202	1.0
109.02953	3.4
112.55923	0.5
119.01395	5.5
121.02948	3.3
125.02461	12.2
133.02953	1.1
135.00864	0.6
135.04526	0.8
143.04962	0.9
145.02954	2.3
147.00890	11.8
147.04550	1.9
148.01654	3.2
149.02455	2.4
155.04979	0.6
161.02455	2.3
163.00365	4.9
164.01111	1.1
170.03784	0.8
171.04555	1.9
174.03226	1.6
175.04039	2.6
176.01106	1.3
177.01941	1.8
182.03679	0.8
183.04532	7.0
185.06010	1.6
187.04036	1.4
189.01921	0.7
189.05611	1.6
195.04459	1.3
196.05380	0.6
197.46141	0.7
198.03217	0.9
199.04007	5.8
200.04724	0.7
201.01843	1.5
201.05560	0.7
202.23528	0.5
210.03206	1.2
211.04036	8.9
212.04791	2.7
213.02084	0.7
213.05618	2.0
214.02779	1.0
215.03539	1.0
217.05086	3.4
223.03989	0.7
226.02600	0.8
227.03525	22.5
228.04132	1.4
229.05119	1.1
238.02773	0.9
239.03528	4.5
240.04294	3.9
241.05106	2.4
242.02109	0.6
243.02966	0.8
255.03000	28.8
256.03705	4.8
257.04633	3.9
266.02298	1.1
267.02859	3.0
281.04480	0.8
283.02518	55.7
284.03287	42.4
285.04068	59.7
286.04425	1.2
299.05615	1.6
309.04092	3.3
327.05051	1.2
424.26324	0.6
436.50632	0.8
447.09171	0.7
467.09924	1.3
471.09418	5.6
489.10333	2.4
530.10724	13.4
531.11505	100.0
532.11786	5.5
573.12598	1.0
593.13049	23.5
593.22559	1.2
594.13422	1.0
635.14014	0.9
693.16956	1.5
716.47443	0.7
779.18036	1.3
839.20471	8.8
892.25928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.4
71.01386	9.2
72.99288	0.5
73.02951	0.8
82.47961	0.3
83.01413	0.8
85.02949	2.5
89.02451	8.7
89.18607	0.3
93.03455	2.5
95.01391	0.7
101.02451	6.8
109.06564	0.6
109.27092	0.3
113.02472	3.5
119.03535	3.2
121.03031	0.4
122.03748	0.6
129.49495	0.3
133.03032	0.3
137.02448	7.3
147.04395	0.3
147.08174	0.4
150.03241	4.6
151.03973	0.5
153.05682	0.4
163.11293	3.8
165.01923	0.4
165.05597	7.2
179.55910	0.3
196.30699	0.4
200.07378	0.3
207.10283	8.4
281.06705	5.9
286.92859	0.3
326.52765	0.4
369.67490	0.3
387.16620	100.0
388.16971	3.3
495.15103	14.4
496.15707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52209	1.4
69.52545	0.4
71.01398	1.2
72.99313	0.7
73.02953	1.6
83.01435	0.5
85.02960	1.1
96.96021	1.0
101.02464	2.7
109.02971	0.8
113.02444	1.6
119.05051	0.7
131.03542	2.0
133.02998	1.1
135.04546	1.0
143.03558	0.4
150.01114	0.4
161.02441	1.3
161.04558	0.4
163.04050	1.1
197.04590	0.4
227.03590	0.4
260.50174	0.4
293.04742	0.4
295.06247	0.4
356.93817	0.4
368.14639	0.4
377.28375	0.7
407.29547	1.3
419.28662	0.4
437.30850	0.6
440.58145	0.4
453.30136	0.4
455.31903	3.3
467.31616	1.7
469.33472	0.7
473.32520	0.9
495.31155	0.7
503.33859	100.0
504.34186	9.0
517.35455	2.0
521.10254	0.6
545.34894	26.1
546.35223	2.4
575.36127	2.1
635.38281	0.7
677.39008	7.1
678.39703	1.1
687.16071	0.5
719.40143	0.4
839.44409	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	23.0
71.01393	23.2
72.18800	4.5
85.02946	7.5
87.00875	4.6
89.02451	18.0
95.37861	4.2
97.02975	8.8
101.02438	11.7
109.06594	32.9
109.40186	4.1
113.02464	9.1
119.03502	5.1
128.56139	3.8
163.11328	17.2
179.05659	6.1
181.12321	6.4
196.34785	4.5
207.10275	100.0
207.34528	4.7
225.11368	56.6
262.41675	4.4
277.21759	60.4
298.35071	4.2
362.72162	4.4
397.13495	35.2
415.14542	12.3
531.10699	4.6
623.25616	10.7
883.46985	47.2
884.48340	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	885.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99322	3.3
74.00749	1.2
85.70984	1.1
92.96484	1.0
96.13431	0.9
96.96058	1.1
99.06725	1.1
108.02181	2.0
109.02968	33.4
123.04543	1.3
134.03775	1.7
135.04555	7.5
138.18195	1.0
145.02965	1.2
147.04558	1.3
149.02504	1.8
157.02834	1.4
159.04591	2.5
173.02473	2.8
175.04062	1.9
179.03511	2.6
185.02457	23.9
186.03194	5.0
193.06635	2.7
197.04561	2.5
220.05350	1.7
221.06154	3.8
224.04948	1.2
225.05629	2.1
232.05298	1.9
237.05717	1.4
247.04073	1.4
248.04781	2.0
249.05551	7.2
251.03506	5.9
252.04222	2.3
265.05038	6.6
267.06635	4.1
276.04410	1.2
277.05130	10.5
279.03021	17.3
280.03763	4.6
291.11295	1.0
293.04617	11.9
295.06091	21.8
296.06467	1.6
303.03015	2.6
319.02237	1.3
321.04065	100.0
322.04373	4.1
339.05121	24.5
340.05481	1.2
351.49008	1.3
375.55249	1.2
422.30655	1.1
493.11545	1.4
519.09369	47.6
520.09332	1.7
537.10516	2.1
648.48584	1.2
687.16248	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	885.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	1.9
69.57671	2.9
71.01389	43.5
72.99325	1.1
73.02956	100.0
75.00887	1.3
83.01393	23.5
85.02966	11.2
89.02454	15.2
93.89217	0.8
95.01407	3.6
96.91299	0.7
96.96011	1.1
97.02974	1.2
99.00895	2.1
100.58971	0.7
101.02457	77.9
113.02463	27.0
119.03523	10.0
119.27061	0.7
125.02468	3.4
128.85248	0.7
131.03526	7.8
135.04468	1.3
143.03525	9.3
149.04588	16.2
153.66147	0.8
155.03519	2.4
156.59120	0.8
157.44196	1.0
159.03101	0.9
161.02460	2.0
161.04575	30.4
179.03557	1.0
202.15498	0.9
203.05649	3.1
219.53772	0.8
221.06650	8.4
229.70100	0.8
315.18170	8.3
357.19275	5.5
397.22229	1.3
439.23441	4.3
594.61237	0.8
614.80463	0.8
689.84143	1.0
908.77374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68749	7.2
66.51897	7.2
69.83651	21.7
71.01389	64.2
72.97001	7.9
72.98302	7.8
72.99302	7.3
73.02960	38.8
83.01397	10.5
83.05031	10.7
85.02968	35.1
89.02442	29.0
98.22572	13.0
101.02445	53.8
113.02426	38.1
119.03558	12.5
133.02974	11.9
135.04530	23.7
161.02443	25.0
161.04559	18.4
161.97784	7.3
179.03497	9.7
315.18103	26.3
357.19336	29.6
379.21249	18.2
397.22397	21.7
439.23413	100.0
440.23669	9.4
487.34698	10.7
488.34665	24.0
489.34903	13.0
586.74316	8.9
707.21735	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	885.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.9
69.03469	1.2
71.01389	13.5
71.42153	0.7
72.99311	0.8
73.02950	1.7
80.02674	1.8
81.03468	1.5
83.01392	1.8
83.05039	6.5
84.02171	1.1
85.02948	3.1
87.00888	3.8
89.02450	11.5
95.01385	0.8
97.02969	2.1
99.00909	0.6
101.02456	9.2
113.02462	6.4
116.92847	0.6
119.03513	3.4
120.21886	0.5
125.02460	5.3
134.89447	0.5
143.03493	1.8
161.04572	2.6
163.11319	4.0
165.12852	2.9
179.04175	0.6
179.05618	4.0
181.12393	0.6
191.10764	0.8
209.11845	100.0
209.92308	0.6
210.12086	2.4
217.07195	1.1
221.06717	1.8
227.12920	10.7
228.13062	0.6
235.08244	4.2
245.06592	0.6
253.09399	1.1
259.08368	0.5
263.07767	0.6
277.21750	39.9
278.22104	2.2
287.07797	1.4
305.08887	1.9
323.09775	1.3
379.12515	6.6
397.13544	31.4
398.14063	1.3
415.14624	7.4
589.25690	0.6
607.26245	1.0
659.42059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.6
70.80560	0.7
71.01390	16.6
72.99319	1.0
73.02934	3.1
79.95736	0.7
80.02672	1.5
81.03473	2.3
83.01375	2.0
83.05037	3.8
84.02141	0.7
85.02946	4.0
87.00895	4.2
89.02454	12.3
95.01383	0.9
95.05045	0.9
97.02949	2.7
99.00892	1.4
101.02454	13.6
108.80016	0.6
112.51836	0.6
113.02451	6.1
119.03531	4.5
125.02478	6.3
139.84671	0.6
143.03497	2.5
144.66647	0.6
161.04576	3.8
163.11307	4.7
165.12863	2.1
179.05597	4.1
181.12344	0.7
199.06183	0.9
209.11847	100.0
210.12215	1.9
224.66374	0.8
227.12930	14.1
228.16469	0.8
235.08264	4.4
253.09412	0.9
277.21750	53.0
278.22113	2.2
283.13492	1.8
287.07867	1.1
305.08823	2.0
323.09674	1.5
377.42847	0.9
379.12497	7.1
397.13544	43.6
398.13983	1.2
404.66290	0.8
415.14606	10.5
607.25751	1.3
826.44806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00859	1.7
72.99321	6.4
87.00874	4.9
112.98824	19.3
115.00351	3.0
117.03440	3.1
122.80986	1.6
126.52287	2.0
132.02171	2.8
134.02847	3.2
134.03761	36.1
135.04550	9.5
136.01729	2.3
137.02400	2.4
147.04553	2.4
149.06097	9.7
150.03250	1.9
151.04102	1.9
160.01642	7.6
161.02516	9.2
162.03253	9.1
163.03969	3.1
175.02516	4.2
175.04016	13.6
176.04712	4.1
177.05563	2.8
178.02704	7.5
179.03513	4.1
179.61386	1.7
190.02705	7.0
191.07155	4.5
193.05139	15.0
196.65344	1.8
202.02692	3.9
205.05054	7.7
218.02084	3.0
219.06590	2.3
229.22675	1.8
230.02135	3.1
233.04572	42.3
235.06175	1.6
245.04486	3.2
259.13483	1.5
289.03485	2.8
295.05954	2.0
307.04639	100.0
363.16168	2.3
387.16562	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	889.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55260	11.4
70.22948	2.2
71.01376	6.4
73.02945	9.3
74.61581	2.2
78.15673	2.0
82.24059	2.2
90.31143	2.0
91.20887	2.6
101.02443	3.8
106.06631	2.2
119.17680	2.2
122.06136	4.0
128.13948	2.2
132.04533	2.8
134.06148	17.8
152.07162	5.3
158.67580	2.6
161.02496	6.7
213.10417	16.1
239.11935	7.7
241.13567	5.2
251.12035	2.6
285.12527	17.4
358.15445	5.5
371.12857	2.9
371.21347	2.4
383.03873	2.5
384.13199	3.7
400.16571	6.6
412.16971	5.0
641.26001	2.7
727.29590	3.4
769.30731	4.1
813.29987	100.0
814.30151	10.6
828.59131	2.5
845.33160	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	891.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02219	2.8
70.02593	2.9
72.99322	6.1
74.38765	1.2
76.23016	1.3
86.47637	1.3
96.96020	4.6
98.22643	1.4
108.02155	3.3
109.02962	10.2
121.02943	2.1
123.04552	5.2
128.91771	1.3
133.02943	2.2
134.03770	2.5
135.04536	9.9
151.04071	2.8
161.02440	3.8
177.88326	1.5
179.03583	3.8
185.02507	4.0
197.04559	3.1
249.05632	2.2
261.05551	1.9
263.03442	1.6
265.05038	2.1
267.06674	2.2
277.05133	2.3
279.02988	4.3
291.06549	2.3
293.04523	4.9
295.06009	2.6
301.05142	2.0
306.05362	3.3
311.05856	1.6
317.04599	3.3
319.02560	3.1
319.06143	5.7
321.04019	6.3
339.05042	3.8
344.03394	1.7
345.04022	24.6
346.04669	3.2
347.05646	1.9
391.05078	2.1
395.05579	2.1
397.06985	2.3
398.08374	2.6
410.08066	2.0
423.05005	2.2
424.06015	2.5
425.06451	2.6
426.07376	5.6
427.08160	3.4
428.08945	3.4
429.49213	1.5
435.05591	1.5
436.05832	1.8
441.09879	3.3
443.11761	3.9
451.04593	2.6
452.05234	9.1
453.06256	7.4
454.07022	15.1
467.07550	4.5
468.07996	1.4
469.09360	38.3
470.09738	2.5
470.84048	1.8
479.03802	7.8
480.04947	3.8
487.10394	21.2
495.07248	37.4
496.07312	1.9
513.08307	65.8
514.08771	3.5
667.14514	22.1
693.12543	100.0
694.12817	5.2
711.13824	3.9
874.39215	1.7
883.18353	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	891.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	12.3
73.02957	20.7
76.86426	1.1
83.01412	3.7
85.02949	2.7
89.02451	4.6
101.02455	11.3
106.06638	4.4
107.03777	2.3
113.02453	4.2
120.08196	12.1
122.06141	16.0
125.02389	1.4
127.36597	1.2
128.58464	1.4
134.06128	24.3
152.07182	4.3
158.02426	1.2
161.04477	1.3
171.89978	1.3
174.05568	1.4
190.05133	2.8
203.69971	1.3
223.08755	2.4
224.09601	1.7
225.10370	1.9
235.12338	2.0
236.09396	1.3
237.10376	3.8
238.11195	2.2
239.11894	7.9
241.13499	2.6
249.10362	3.3
251.08235	3.4
251.11861	5.0
263.08145	3.8
264.09134	6.9
265.09787	7.0
276.09073	2.5
277.09833	5.3
278.10468	3.9
279.11395	22.2
280.12198	3.1
281.13126	3.1
291.11353	6.7
292.12140	4.4
293.13046	3.3
296.11523	1.7
305.09476	1.5
314.12439	2.6
323.10257	3.0
324.11038	2.7
325.11755	1.4
337.11646	1.8
370.15598	1.7
384.17480	2.2
386.18936	1.5
399.19769	2.2
426.18146	3.3
428.15738	1.9
444.19183	2.6
454.18222	1.8
462.20230	1.5
472.18692	2.9
488.18362	1.8
490.20132	2.6
606.24286	2.0
648.25336	3.5
692.24597	15.7
693.25568	15.1
724.27197	11.2
725.28436	1.6
771.33630	1.9
784.84326	1.5
797.29901	1.6
815.31519	100.0
816.31946	9.5
847.34222	35.1
848.35022	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	891.332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77721	1.6
84.09190	1.4
89.02472	1.5
97.23962	1.6
106.06635	4.6
107.03812	3.2
120.08208	7.9
122.06133	32.0
132.04649	1.4
133.02969	3.5
134.06134	33.7
152.07187	9.5
161.02448	2.7
190.05089	2.8
194.08310	2.9
221.10904	4.7
223.08792	2.8
224.09528	1.8
237.10370	3.4
239.11940	4.0
249.10359	5.4
251.11943	5.9
263.08264	3.6
264.09073	6.1
265.09882	3.4
269.12958	5.5
276.09039	2.6
277.09781	10.1
278.10828	2.5
279.11435	21.9
280.11960	2.1
290.10468	1.7
291.11417	8.6
293.13013	2.0
305.09378	26.7
305.12891	3.4
309.04013	1.4
323.10284	5.2
337.12070	7.3
342.16080	6.8
355.13229	1.7
358.19330	2.1
370.15341	1.7
384.17239	5.9
386.14618	2.3
386.18906	3.9
397.14090	4.8
398.19092	1.6
411.15768	2.5
426.18265	8.6
427.19052	2.3
430.17850	4.6
444.19299	2.5
452.16290	4.1
453.16846	2.8
470.17175	5.1
471.17941	4.5
484.18295	1.9
486.20392	4.0
488.18594	1.8
502.20233	3.5
512.18323	3.2
530.19482	12.3
531.20245	1.7
544.21234	9.3
562.22046	34.8
593.24072	6.0
604.22711	3.8
609.27161	12.0
611.25366	6.9
625.27496	2.4
635.25037	22.1
643.27863	10.2
653.26245	80.7
654.26208	2.4
667.27667	5.7
685.28839	100.0
686.29059	6.1
727.29810	9.6
822.11938	1.9
831.47931	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	894.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37952	2.3
72.99306	1.6
77.24281	0.4
83.08318	0.4
95.43524	0.5
107.01452	0.4
108.02216	0.5
109.02965	16.7
116.81777	0.5
123.04506	0.9
133.02954	0.5
135.04529	1.6
137.02472	0.4
145.02965	1.3
147.04515	1.0
157.02960	1.0
158.03606	0.5
159.04514	1.2
160.01666	0.7
161.02437	1.8
173.02454	0.8
179.03488	1.2
185.02452	12.7
186.03252	3.1
193.06570	2.1
197.04535	1.3
197.06227	0.7
200.01089	0.7
209.06085	0.9
219.04593	0.8
220.05345	1.6
221.06059	4.1
223.04005	0.9
224.04842	0.5
225.05547	0.8
235.04036	0.8
237.05603	1.6
238.06189	0.5
239.07220	0.9
247.04010	1.9
248.04834	2.6
249.05605	8.6
250.06276	0.6
251.03513	3.1
252.04222	1.3
253.04883	0.8
263.03525	0.6
264.04321	1.0
265.05045	6.0
266.05643	0.7
267.06650	2.7
275.03580	1.3
276.04312	1.6
277.05099	11.9
278.02371	0.5
278.05417	0.6
279.03036	10.7
280.03729	3.0
281.04175	0.5
285.06586	0.6
292.03879	0.7
293.04623	11.6
295.06152	9.8
303.03021	2.3
321.04065	100.0
322.04333	4.4
339.05087	8.4
340.05334	0.8
374.08820	2.9
519.09467	1.6
520.09503	0.8
575.78253	0.5
670.15558	0.9
696.13452	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	895.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99301	15.0
106.40150	3.7
108.02187	6.1
109.02968	55.5
113.49610	3.0
114.19245	3.1
121.03008	5.1
123.04543	11.4
133.02966	7.3
135.04543	23.3
145.02962	5.2
151.04062	14.8
151.93513	3.0
159.04532	4.6
161.02502	22.7
173.02429	5.1
177.01952	3.0
179.03535	11.0
185.02455	34.1
186.03201	6.9
193.06639	3.8
197.04573	11.8
225.05721	3.7
237.05423	4.6
239.07115	3.9
248.04805	5.7
249.05592	12.6
251.03535	6.8
252.04224	7.2
253.04976	5.3
265.05118	11.2
267.06802	7.5
277.04996	16.2
279.03027	23.9
279.05890	3.1
280.03726	8.9
281.04495	6.9
286.67474	2.9
293.04645	22.0
294.05038	4.4
295.06079	34.5
307.06003	3.3
319.02649	5.1
319.06119	14.0
321.04065	100.0
322.04395	11.3
339.05148	35.8
340.05258	5.6
345.03943	4.7
353.06314	4.4
393.08353	14.7
429.09866	11.7
455.02029	5.4
455.07831	57.8
473.09021	15.5
499.06659	16.1
519.09271	41.4
555.11584	5.8
603.74255	3.4
621.50647	3.7
653.13080	34.4
697.12238	4.6
793.66479	3.2
914.12622	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	895.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59936	0.4
72.99317	16.7
89.03976	0.7
91.05542	0.6
107.05040	1.8
109.02987	1.9
112.30679	0.4
117.03484	1.0
121.02922	0.4
123.04533	7.0
132.02211	1.2
133.02972	24.6
134.03772	4.0
135.04541	69.6
136.04857	1.1
140.14996	0.5
151.04059	1.2
153.72556	0.5
161.02458	100.0
162.02820	1.7
162.97302	0.5
164.70726	0.4
172.65230	0.5
177.01967	0.5
178.60243	0.6
179.03511	19.3
180.03835	0.5
185.02495	1.0
197.04568	20.4
207.03993	0.4
221.43842	0.4
265.04971	0.8
267.06598	0.5
276.51639	0.5
277.05130	0.6
295.05997	1.0
311.05652	0.6
313.07281	0.6
321.04080	1.7
339.05084	1.3
355.08292	0.6
357.06198	0.5
359.07748	33.2
360.08105	1.0
373.09253	1.2
491.10028	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	895.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99326	16.4
82.90291	2.9
108.02196	3.2
109.02965	49.2
110.03327	2.9
112.26798	2.8
121.02967	4.7
123.04523	5.8
123.45493	3.1
125.65536	2.9
133.02911	7.3
135.04544	27.0
136.04916	3.4
145.03044	3.5
147.04538	3.8
149.02501	4.3
151.04095	16.5
159.04515	8.5
161.02451	23.4
173.02377	3.0
179.03568	9.5
185.02477	35.9
186.03162	6.9
197.04570	13.0
203.74855	2.8
209.06104	4.0
221.06042	3.3
225.05603	2.7
226.89195	2.8
249.05513	9.8
251.03545	6.8
252.04253	5.8
265.05106	7.6
267.06619	8.4
277.05203	19.1
279.03027	24.4
279.05762	4.5
280.03766	12.9
281.04507	5.0
291.52750	3.4
292.03348	3.0
292.20407	3.2
293.04501	20.7
294.04895	4.7
295.06146	35.4
309.07663	3.2
319.02707	3.9
319.06180	14.2
321.04074	100.0
322.04520	10.5
338.03668	3.4
339.05060	39.7
345.03976	5.5
393.08322	13.4
427.07846	3.3
429.09647	9.9
455.07703	50.0
473.08505	16.9
481.06290	5.6
499.06812	17.1
519.09424	32.9
555.11395	8.5
653.13226	31.2
868.30322	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	897.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	10.3
73.02995	2.4
82.37650	2.0
92.99870	3.2
93.03534	2.0
96.96052	2.6
98.21849	3.7
101.02444	2.2
109.02959	100.0
110.03309	4.5
121.02962	5.1
123.04507	6.0
125.02481	9.5
132.88953	2.0
133.02980	5.1
135.00833	2.3
135.04520	15.0
137.02438	3.3
138.90178	2.3
145.03004	4.6
147.04520	5.1
149.02428	5.0
157.02998	6.1
158.03714	2.6
159.04524	14.9
161.02472	15.4
163.00394	16.6
164.01233	2.3
165.01936	3.5
173.02496	5.1
175.03998	2.6
179.03496	3.9
185.02448	52.2
186.03224	11.5
191.03778	2.5
197.04536	4.9
209.06119	2.7
220.05244	3.2
221.06097	6.6
224.04805	3.5
225.05632	7.6
229.01411	7.1
239.07222	3.4
241.01340	4.6
245.67108	2.7
247.04010	3.1
248.04768	3.4
249.05522	8.8
250.06239	3.7
251.03404	2.7
252.04265	6.1
253.05075	2.7
257.01093	2.9
265.05060	3.9
266.05698	3.5
267.06589	7.7
269.08109	4.4
271.02701	3.3
277.05145	15.2
278.05743	3.2
279.02985	9.5
279.05890	2.7
280.03760	10.1
289.03561	4.9
293.04572	11.4
295.06140	61.8
296.06509	5.5
300.03030	3.3
313.07556	2.8
321.04028	49.8
322.04404	28.3
323.04623	14.0
339.05087	78.2
340.05478	3.9
359.03976	27.9
359.07663	3.9
377.05179	36.5
415.47824	2.5
487.34296	27.3
503.09857	2.5
519.09210	8.7
673.12079	4.1
699.09845	26.8
717.10638	4.9
745.89246	2.7
897.15674	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	897.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15491	1.7
69.15899	2.2
72.99318	10.1
74.79456	0.6
108.02161	1.3
108.25124	0.6
109.02961	73.3
110.03341	1.4
118.98851	0.7
121.02982	0.9
123.04532	4.0
129.03445	1.0
131.05002	0.9
134.03751	1.5
135.04543	15.6
141.03474	1.3
142.77000	0.7
145.02977	1.9
147.04549	3.8
152.26086	0.6
157.02983	5.5
158.03796	2.6
159.04514	13.8
160.04845	0.7
161.02512	1.8
173.02475	6.6
175.04036	2.6
177.05525	1.1
179.03523	5.7
185.02454	58.4
186.03204	9.3
187.03937	1.1
197.04558	5.2
203.03551	6.2
221.06122	1.9
225.05591	2.4
232.64471	0.8
237.86935	0.6
239.07184	1.6
249.05597	2.6
251.07158	1.2
253.05080	2.1
265.05136	1.1
267.06619	4.0
269.08356	2.3
277.05154	4.3
279.03149	1.5
280.03751	2.3
293.04578	1.2
294.05295	1.3
295.06146	100.0
295.59094	0.7
296.06464	5.4
313.07254	7.7
339.05112	17.9
493.11456	26.5
494.11642	1.9
610.14484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45934	0.8
65.29658	0.9
67.13195	0.8
69.08941	5.2
71.01385	0.9
72.99316	6.3
87.68624	0.8
98.21755	1.5
108.02190	1.4
109.02959	41.3
110.03326	1.0
121.02966	1.2
122.03776	0.9
123.04549	2.4
133.02950	1.5
135.04532	12.3
137.02460	1.7
145.02954	1.9
146.36237	0.9
147.04549	2.1
149.02438	2.3
157.02982	1.2
159.04500	3.7
161.02414	1.6
164.01247	2.4
165.01961	1.1
173.02422	2.6
174.03214	1.0
175.03998	1.4
179.03491	4.5
185.02444	32.4
186.03249	6.1
186.65617	0.9
193.06493	1.3
197.04585	3.9
204.05872	1.1
208.05327	1.4
209.06145	1.8
211.07600	1.9
213.01945	2.0
216.98370	0.9
221.06050	3.9
224.04968	1.2
224.48743	0.9
225.05571	3.1
232.05276	1.2
237.05632	3.4
239.07091	1.5
247.03970	1.9
248.04820	2.4
249.05586	9.1
250.02576	1.6
250.06377	1.6
251.03401	5.5
251.07144	1.8
252.04300	3.1
263.03485	0.9
264.04330	2.1
265.05048	7.8
266.05698	2.1
267.06497	4.2
275.03641	1.9
276.04257	6.3
277.05072	16.7
278.02170	3.5
278.05399	1.6
279.03000	45.1
280.03745	8.4
291.03021	2.7
292.03793	6.3
293.04587	21.4
294.05286	7.0
295.06125	34.5
296.06427	1.9
300.02036	0.8
303.02963	3.7
304.03717	1.2
319.02444	9.8
320.03281	9.8
321.04050	100.0
322.04544	6.2
323.04581	1.0
333.04172	1.6
337.03723	1.3
339.05106	27.2
340.05423	2.4
443.07712	1.3
469.05518	3.8
475.10297	1.4
487.34259	3.2
493.11484	1.6
501.08353	39.1
502.08600	2.6
519.09363	73.8
520.09503	4.4
549.10602	2.0
673.15961	3.4
699.13507	31.0
700.13855	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	897.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26440	2.6
72.99313	7.9
108.02156	1.2
109.02958	64.2
110.03288	1.2
113.83669	0.7
115.05491	0.7
121.02970	1.6
123.04545	3.7
133.02945	1.0
134.03751	1.1
135.04533	14.7
137.02498	0.7
141.03458	0.7
145.02933	3.1
147.04507	4.4
154.90845	0.5
157.02950	4.0
158.03761	1.4
159.04536	12.2
161.02454	2.8
173.02452	7.3
174.03162	0.9
175.04030	3.4
176.19943	0.6
177.05556	1.3
179.03488	5.4
184.79918	0.6
185.02444	51.9
186.03218	8.1
187.03799	1.0
192.78058	0.5
197.04597	5.4
203.03497	5.3
221.06065	1.2
224.04831	0.6
225.05708	0.7
229.01495	1.5
239.07127	1.2
239.74443	0.6
248.04832	0.7
249.05598	1.7
251.07242	0.9
253.05046	2.2
267.06488	3.6
269.08258	2.4
277.05023	3.9
278.05734	0.8
279.03171	1.0
280.03693	1.1
293.04626	1.5
295.06134	100.0
296.06509	5.7
313.07187	7.2
321.04041	0.6
339.05096	12.8
383.07748	1.1
403.61099	0.6
493.11429	26.9
494.12018	1.8
711.01617	0.6
785.52173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.189
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37872	1.8
69.38158	0.4
72.99316	3.0
93.03439	0.3
94.08426	0.3
108.02177	1.4
109.02966	44.5
110.03300	1.0
110.52068	0.3
115.05521	0.6
121.02951	1.4
123.04556	2.0
133.02972	1.8
134.03694	0.4
135.04541	4.1
141.03447	0.4
145.02986	1.9
147.04506	1.7
149.02441	2.4
157.02968	1.2
158.03708	1.0
159.04529	4.6
160.01759	0.4
161.02454	4.7
171.35324	0.4
173.02400	1.6
174.03166	0.7
179.03526	2.2
185.02452	21.6
185.81921	0.4
186.03242	6.3
187.04022	0.6
193.06516	0.6
197.04604	2.4
203.03535	0.4
208.05298	1.0
209.06084	1.3
211.07610	0.9
221.06067	1.8
222.06882	0.6
223.07616	1.2
224.04820	1.3
225.05595	4.1
236.04823	0.9
238.06316	0.4
239.07167	1.8
248.04846	0.7
249.05591	5.4
250.06325	1.1
251.03526	1.5
251.07147	1.3
252.04279	2.9
253.04918	1.0
260.04703	0.7
263.03552	0.6
265.05194	0.7
266.05807	1.9
267.06680	6.1
269.08157	3.4
270.08676	0.4
276.04379	0.8
277.05087	9.3
278.05838	1.0
279.03015	6.3
280.03760	7.9
293.04507	2.0
294.05536	0.5
295.06155	53.4
296.06537	2.3
313.07239	0.7
321.03915	1.2
339.05124	100.0
340.05426	4.0
357.06363	0.6
359.07684	1.5
493.11475	1.0
519.09503	0.4
537.10425	1.0
634.83911	0.4
844.32001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86952	1.2
69.09171	7.3
71.01397	5.5
72.30958	1.0
72.99327	1.5
73.02942	7.9
79.74321	1.0
83.01405	3.3
85.02949	2.3
89.02466	2.4
92.41805	1.2
96.95985	1.1
97.11223	1.0
101.02454	15.4
109.02946	6.7
110.03312	1.1
113.02478	3.1
119.03519	1.8
125.02386	1.2
131.03526	1.8
135.04533	3.9
152.94383	1.2
161.02444	1.8
161.04599	3.6
179.03453	1.7
185.02460	4.8
203.05670	7.8
221.06700	3.0
248.10748	1.1
249.05705	1.3
263.07703	6.5
279.03003	1.7
293.04654	2.4
295.06168	4.5
305.08673	1.2
312.68341	1.1
321.04089	6.5
339.05051	6.6
340.05383	1.8
407.01761	1.3
425.35086	1.1
469.33389	2.2
487.34329	100.0
488.34488	8.1
519.08984	2.1
529.35388	11.0
530.35706	1.5
733.41815	4.8
744.59882	1.2
853.46289	2.7
924.08899	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.205
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04205	1.4
69.06908	6.2
69.07327	1.7
69.62748	1.1
72.99291	2.5
73.48997	1.0
75.63486	1.2
79.39909	1.0
87.91522	1.1
98.22652	1.8
108.02231	2.1
109.02961	47.3
110.03295	2.4
123.04520	1.4
127.92423	1.2
135.04541	6.0
145.03003	1.7
149.02377	2.3
159.04578	5.7
174.03247	1.2
179.03508	1.9
180.83253	1.1
185.02455	24.8
186.03223	6.2
197.04552	2.3
208.05225	1.2
223.07478	1.2
224.04747	1.2
225.05553	4.2
237.05510	1.3
239.07150	3.3
248.04900	1.4
249.05579	4.5
251.03554	1.6
251.07198	1.4
252.04321	3.0
253.05067	1.3
266.05881	1.9
267.06650	5.2
269.08191	3.1
276.04254	1.7
277.05075	10.7
278.59570	1.1
279.02939	7.4
280.03818	8.9
293.04547	2.4
295.06143	51.4
296.06479	4.5
321.04056	3.3
339.05112	100.0
340.05481	9.3
341.05606	3.2
361.09558	1.2
387.04465	1.2
445.10275	1.3
529.06372	1.3
537.10278	1.5
805.16888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	0.9
68.99826	1.4
69.08971	5.3
71.01386	3.1
72.99330	1.0
73.02950	1.0
73.94661	0.7
75.88570	0.8
88.16540	0.7
91.79585	0.9
107.05045	3.2
108.02166	0.8
109.02971	14.2
117.03431	0.9
119.01394	3.0
121.03053	0.8
123.00923	1.5
123.04536	0.9
133.02977	1.6
134.03760	8.9
135.04541	100.0
136.04863	1.6
137.02461	43.9
147.00890	3.9
148.01694	17.5
149.02431	1.0
150.33545	0.8
161.02458	4.6
169.08295	0.8
175.00415	4.1
179.03516	96.9
180.03993	1.1
182.78108	0.8
185.02455	2.9
207.03006	36.3
208.03455	0.8
225.04065	53.1
245.11765	1.2
263.12894	1.4
265.05130	1.6
273.93640	0.8
277.04999	0.9
279.03152	1.5
284.03299	1.8
287.13101	0.9
293.04556	1.1
295.06177	2.1
296.06500	1.2
321.03952	6.4
322.04428	2.9
323.04657	2.1
339.05209	2.9
387.07312	12.9
389.15964	1.1
407.17136	1.9
467.19171	5.0
488.35303	0.8
519.09326	3.1
520.09747	3.4
521.09833	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	901.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44423	1.2
67.18096	1.2
67.54729	1.4
79.01908	1.8
80.78847	1.3
81.03461	4.9
83.01390	2.6
93.03470	3.3
95.05067	2.0
97.02945	3.8
98.22601	3.5
99.04549	2.4
105.03465	2.6
105.95396	1.4
107.01418	2.4
108.02220	7.7
109.02972	30.6
117.03481	4.8
119.05025	10.6
121.02982	10.6
123.04523	2.8
124.01674	2.2
125.02467	19.9
133.06636	2.6
135.00900	3.9
136.01730	1.5
137.02464	17.7
138.03293	1.6
139.04039	2.2
145.02960	17.9
148.01666	3.8
149.02461	45.3
152.04149	1.3
161.02469	2.6
161.06114	4.3
163.00389	5.5
163.04041	8.4
164.01184	24.0
165.01950	20.2
166.02705	3.2
167.03548	25.5
167.04935	2.3
167.17622	1.2
168.52991	1.4
171.04562	2.4
173.02374	2.3
174.03166	1.5
175.04036	12.0
176.01183	4.6
177.01945	5.8
177.05708	1.8
183.04477	1.9
190.99925	10.7
191.03596	4.3
192.00644	14.6
193.01437	43.0
194.01819	1.3
195.04506	3.2
198.03271	2.1
199.04059	8.1
201.01968	4.2
205.05139	4.0
211.04010	3.9
212.04767	1.7
213.05545	1.5
215.03517	2.7
217.05026	7.1
223.04062	9.9
225.01982	1.7
227.03590	1.7
229.05331	1.4
235.06088	2.9
239.03535	4.2
240.04326	1.7
241.05081	12.8
242.02185	1.8
243.03102	3.2
255.03029	3.2
256.03735	2.4
257.04532	3.2
259.06158	1.6
265.07217	4.0
267.03012	100.0
268.03381	3.9
284.03314	17.5
285.04095	55.8
285.07303	1.6
286.04538	3.6
303.05121	13.5
307.08218	5.2
309.04099	5.3
325.09210	2.5
329.08841	1.5
372.83426	1.4
379.06854	2.1
439.08743	5.7
447.09122	2.5
465.10599	2.2
471.09335	4.4
475.12439	10.3
485.11145	6.8
489.10428	4.6
501.10486	44.0
502.11017	2.8
531.11487	20.9
549.12561	25.7
550.13098	2.5
593.13123	30.5
594.13446	2.6
611.14008	19.2
635.13757	2.4
657.96606	1.4
687.15930	3.4
747.17462	8.0
797.19714	2.3
815.19812	2.5
857.21234	10.1
858.23248	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	903.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.6
72.99315	73.5
73.02953	0.7
89.10699	0.8
93.03519	0.7
96.96037	1.5
97.06602	7.6
99.04515	4.0
109.02956	1.7
113.28964	0.7
121.02974	5.8
122.03750	2.0
123.04511	5.2
132.02190	1.5
133.02972	27.4
134.03798	5.1
135.04538	11.6
137.02477	2.2
147.04544	1.5
149.06114	1.1
150.03224	1.6
151.03981	1.9
159.04514	1.9
159.08160	1.8
160.05347	0.7
161.02460	90.6
162.02812	1.8
163.07642	1.3
165.09181	0.9
172.05327	1.7
173.06123	2.6
174.06812	1.6
175.04048	1.1
175.07660	2.9
176.04813	1.7
178.02715	6.7
179.03503	6.0
187.07664	27.8
188.08316	0.7
189.05602	0.7
190.06354	5.9
191.10748	0.8
197.04594	3.4
200.04782	0.9
201.05559	1.2
201.09262	2.6
202.06346	4.3
203.10806	2.1
204.07788	0.8
205.08717	4.8
213.09218	5.7
215.07224	3.5
216.07938	0.8
219.10275	21.1
221.11806	1.0
227.03461	0.7
229.08705	1.0
231.06772	1.5
231.10266	14.7
247.09711	1.4
249.11446	2.0
257.08228	3.4
275.09256	12.3
276.99466	0.7
293.10336	100.0
294.10669	2.6
295.05994	0.7
311.11490	0.7
319.08148	1.5
321.04205	1.9
339.05185	1.5
408.40375	0.7
411.10907	1.1
446.30099	0.6
455.13504	83.2
456.13803	5.0
519.09521	1.0
598.76056	0.7
653.82178	0.8
673.87048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73829	0.2
69.23597	1.4
71.01418	0.3
72.99319	23.8
89.03974	0.4
91.05547	0.3
93.03503	0.5
95.01389	0.3
95.05051	0.3
97.02952	0.5
107.05054	1.5
109.02338	0.3
109.02934	1.5
110.68271	0.2
117.03484	19.4
117.99146	0.2
119.05049	2.9
121.02962	0.4
123.04545	11.0
133.02962	1.3
134.03767	5.0
135.04546	78.4
136.04887	0.8
137.02455	1.4
139.04027	2.3
145.02972	100.0
146.03328	1.6
151.03981	0.5
153.01962	1.4
153.05548	0.3
158.94098	0.2
160.01640	0.5
161.02490	0.8
163.04037	2.6
165.01935	4.3
171.67909	0.3
175.03986	0.8
176.04762	0.4
177.01923	0.6
179.03520	26.5
180.03862	0.7
188.82498	0.3
191.07175	0.5
193.04993	1.4
197.04572	39.8
198.04927	0.5
202.16173	0.2
223.02423	1.4
235.06142	1.1
265.07208	0.5
279.11826	0.3
290.63760	0.2
295.08392	0.5
299.09415	0.4
325.07101	0.4
343.08255	23.3
344.08725	0.6
355.10449	0.5
429.10440	4.8
491.11462	0.3
795.25140	0.3
861.76794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	0.2
72.99330	0.2
79.95745	4.1
96.96023	100.0
97.95964	0.2
101.02502	0.1
102.44283	0.1
103.05643	0.1
107.62489	0.1
109.02968	0.2
123.04543	1.1
133.02965	0.3
134.03793	0.2
134.06122	0.1
135.04565	0.5
153.04579	0.1
153.05595	1.3
161.02473	0.8
175.04021	0.2
176.04770	0.1
179.03557	0.2
191.07129	0.2
192.28632	0.1
193.05009	0.2
197.04590	0.1
235.06125	0.2
279.11331	0.1
321.03918	0.1
359.07629	0.2
547.22229	0.3
727.80048	0.1
773.29907	0.5
805.33380	0.8
903.31854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55277	2.3
71.01380	8.6
71.92683	1.0
72.99318	2.6
73.02955	13.2
80.05078	1.7
83.01406	2.7
85.02959	1.6
89.02448	2.8
96.96019	2.2
101.02465	5.8
105.03513	1.1
106.06624	4.7
107.03793	1.5
108.04569	1.6
113.02440	2.4
119.03504	1.6
122.06138	7.4
125.88483	1.1
127.76720	1.2
133.02983	5.3
134.06146	21.3
135.04532	8.3
136.07674	2.1
146.06145	1.5
148.04004	1.9
151.03995	1.2
152.07150	5.7
152.23747	1.2
160.07674	1.5
161.02487	10.4
163.04112	1.2
177.02010	1.7
179.03522	4.1
180.06685	3.4
188.07213	5.2
211.08774	1.2
215.35022	1.2
223.08798	1.2
224.09552	1.6
225.10353	4.5
227.11899	2.4
235.08865	1.4
237.10263	1.5
239.08374	1.2
239.11850	2.0
251.08226	3.5
251.11794	2.5
252.09097	2.7
253.09831	6.4
263.08182	2.6
264.09033	2.5
265.09903	3.4
266.10690	2.3
267.11377	5.5
271.02628	1.4
277.09903	4.2
278.06757	1.4
278.10568	1.9
279.07855	4.5
279.11417	5.6
285.12289	1.7
291.07639	1.7
292.08545	3.9
293.09332	7.2
294.10168	2.9
295.10843	10.1
296.11389	2.9
305.09283	2.8
307.10864	8.2
314.12485	2.0
321.04037	1.6
321.08804	4.6
339.09781	3.5
351.09839	3.9
353.06482	1.6
359.07288	2.0
400.16714	1.6
440.15842	2.5
444.15762	1.7
458.17523	2.6
468.15762	2.5
486.16757	3.0
503.07986	1.9
522.14655	1.2
589.77185	1.3
620.23187	1.5
662.23895	2.2
666.23059	1.7
680.24799	4.8
708.24207	100.0
709.24420	7.5
712.27423	1.9
740.26843	70.3
741.27209	3.7
769.31189	2.5
813.29889	9.6
831.31036	8.3
832.29749	1.6
845.31927	5.3
875.27063	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	908.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43264	1.3
72.99320	8.7
93.03445	1.2
95.05060	1.4
105.03470	1.7
109.02962	8.1
120.04613	2.4
120.47896	1.1
121.02972	6.6
123.04542	2.4
132.02162	2.3
133.02972	36.5
134.03784	6.6
135.04543	72.0
137.02444	6.9
145.03020	1.8
146.02481	2.0
146.03728	2.9
147.00819	1.9
147.03249	3.9
147.04463	1.4
148.01697	4.8
148.04044	7.5
149.02399	1.5
158.02557	1.5
159.03279	2.2
160.01709	3.4
160.04008	2.1
161.02463	100.0
162.02937	1.4
163.02817	1.6
163.04102	1.7
167.03584	2.2
167.04910	1.3
173.02426	1.5
174.03241	1.8
174.05612	3.9
175.00317	1.2
177.01900	4.8
178.02638	1.4
179.03529	36.2
183.04630	2.4
190.05135	1.4
192.03117	1.7
207.02962	6.2
207.04729	2.0
208.05273	1.4
209.04494	3.3
209.06152	3.6
211.04030	3.5
218.04538	1.8
219.03023	4.2
220.03795	3.9
223.04045	3.3
224.04832	4.4
225.05699	6.3
235.03992	7.8
236.04695	1.3
237.05594	3.4
241.05045	1.4
251.03497	5.4
252.04407	6.7
253.05095	19.6
263.03464	5.6
265.04874	1.6
267.06610	3.4
269.04514	8.9
269.06961	2.3
279.02942	4.5
280.03793	5.0
281.04526	15.8
281.07065	1.2
283.06116	8.1
284.09320	1.9
291.02649	1.3
295.06198	5.9
297.06680	1.7
311.05621	11.1
312.06323	3.2
313.06973	1.9
321.04099	2.0
323.05658	4.6
339.05127	35.9
339.09253	1.9
340.05817	89.5
341.06546	15.1
343.07101	3.9
356.07666	3.9
357.06125	2.5
358.09427	37.4
367.07132	3.4
379.06924	3.0
380.07751	4.1
382.09213	7.5
386.08807	7.9
388.10382	4.0
410.08942	6.4
412.10617	2.1
456.09430	25.9
457.09985	1.8
474.10553	3.1
493.11450	1.3
518.10864	4.3
519.09332	27.5
520.12439	32.3
521.11975	3.6
534.10498	1.4
552.11084	2.0
566.13080	30.2
567.13538	1.6
584.14166	7.1
618.12616	11.5
619.13318	2.5
636.13055	1.9
728.16406	8.7
746.17468	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	908.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	45.9
77.57935	1.9
89.03970	3.4
91.05547	3.7
93.03468	2.2
96.96040	2.6
107.05045	5.5
108.02183	4.5
109.02969	15.9
110.16664	1.8
117.03473	6.9
119.05050	11.2
120.36861	1.8
121.02988	13.1
122.03746	6.0
123.04546	20.8
123.97281	1.8
129.68118	1.8
131.03737	2.4
132.02168	2.7
132.04559	2.9
133.02019	4.0
133.02972	36.9
134.03773	10.0
134.06160	3.3
135.04547	100.0
136.04021	5.8
137.02429	4.6
143.05061	4.4
145.02988	8.0
148.04057	6.8
149.02481	5.9
149.06084	4.9
150.03223	6.3
151.04033	4.8
157.05331	4.3
158.06128	5.0
159.03259	11.6
159.04507	4.0
160.04063	20.4
161.02469	70.7
162.03021	3.4
163.04086	2.6
165.05606	9.4
177.01907	2.8
179.03520	37.1
180.06679	2.4
183.03246	21.2
184.04057	36.5
192.03038	2.8
193.05057	3.1
197.04599	18.3
205.01476	6.5
211.06163	3.9
228.51137	1.9
236.07149	3.6
239.18192	2.1
248.07278	2.9
250.08728	3.4
251.07137	4.3
263.05969	7.6
264.06693	6.4
265.07449	16.6
266.08362	3.4
267.09070	2.6
274.05038	3.6
276.04202	4.3
276.06802	2.9
277.04999	4.9
278.05493	2.8
279.06763	9.6
280.09781	13.8
281.06897	16.6
282.07761	7.7
282.11133	3.4
290.04724	2.4
290.07889	2.0
291.05426	8.2
291.08841	2.9
292.06235	14.3
292.09167	3.2
293.04239	2.6
293.07217	4.4
293.10361	2.4
294.07819	14.0
295.06091	3.1
297.10071	3.6
305.06885	10.5
306.07657	6.9
306.11295	5.5
306.28134	1.9
309.06546	8.3
316.06171	16.5
317.06876	20.8
318.07742	7.0
320.05829	2.3
320.09366	5.3
321.03888	2.3
324.08826	53.2
325.09311	2.6
326.10251	3.2
332.09323	33.0
342.09601	3.4
344.11313	2.6
348.08694	5.7
350.10489	3.8
359.07767	4.0
362.06671	3.4
368.07672	4.8
368.11670	3.9
370.09781	3.5
376.08072	3.1
394.09366	99.8
412.10181	3.2
442.12994	7.0
460.14053	5.2
477.11887	2.2
478.15128	10.8
486.11996	52.4
487.12595	3.3
492.12848	4.1
504.13098	72.2
505.13412	4.1
522.14124	31.6
530.10736	24.2
532.12433	7.1
548.12335	5.8
556.12469	7.7
566.13220	16.0
592.14789	17.2
666.16107	5.3
684.17517	4.5
702.18347	70.4
703.18286	2.7
728.16083	8.8
746.16858	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	908.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26794	1.8
72.99319	42.5
82.57688	1.7
98.22674	5.7
107.05003	2.0
108.02157	4.3
109.02954	27.6
117.03448	6.6
119.05031	13.7
120.04538	2.4
121.02982	9.7
122.03769	6.4
123.04544	16.5
132.02193	3.5
132.04523	4.2
133.02975	35.7
134.02527	1.6
134.03767	11.7
134.06117	2.9
135.04538	100.0
136.04008	4.7
137.02470	3.1
138.60063	1.7
143.05025	6.0
145.02985	4.9
148.04095	10.2
149.02458	7.2
149.06085	7.4
150.03227	4.8
151.03987	6.2
157.05350	5.2
158.06125	5.9
159.03252	9.9
159.04462	4.7
160.04082	18.2
161.02461	71.0
163.03943	3.8
165.05559	8.7
171.03276	3.1
175.03951	3.5
179.03517	31.2
180.06613	2.3
183.03247	20.0
184.04048	39.1
185.02383	2.4
192.03049	4.7
193.05019	2.4
196.03957	2.0
197.04552	16.4
202.05130	1.9
205.01382	5.3
208.05214	1.9
211.06104	3.9
236.06953	2.4
250.08791	4.7
251.07249	5.3
253.08600	2.0
263.05887	7.4
264.06638	8.9
265.07458	13.3
266.08255	7.4
267.09009	4.5
268.10181	2.2
276.04144	4.7
276.06845	3.1
277.05045	9.3
279.06738	11.0
280.06720	2.1
280.09726	10.0
281.06897	11.0
282.07748	9.1
282.10959	2.4
289.07553	2.5
290.04700	4.5
290.08163	3.5
291.05380	10.9
291.08682	3.4
292.06277	24.5
293.07028	5.7
294.07755	12.1
295.06027	2.5
304.06097	3.2
305.07040	12.0
306.07657	8.7
306.11295	5.2
308.09488	2.4
309.06647	8.9
316.06226	15.4
317.06915	16.5
318.07632	8.0
320.09311	3.4
321.03668	2.3
324.08780	40.7
326.10400	4.8
332.09296	30.1
335.04120	2.2
342.09891	4.5
347.42682	2.3
348.08325	2.8
350.10361	4.1
362.06757	3.8
368.07431	3.5
368.11505	2.5
370.09293	3.0
394.09338	81.9
442.12808	6.9
460.14240	3.4
477.11737	3.9
478.14926	12.0
486.11987	48.2
492.13235	4.8
504.13086	72.5
505.13376	5.0
522.14014	38.5
530.10803	21.0
532.12433	5.3
556.12622	4.4
566.12952	18.0
592.14893	13.5
666.16315	4.4
684.17133	10.3
702.18304	74.4
703.18909	3.6
728.16022	6.8
746.17023	5.0
825.09436	2.1
864.21545	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	908.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	45.9
77.57935	1.9
89.03970	3.4
91.05547	3.7
93.03468	2.2
96.96040	2.6
107.05045	5.5
108.02183	4.5
109.02969	15.9
110.16664	1.8
117.03473	6.9
119.05050	11.2
120.36861	1.8
121.02988	13.1
122.03746	6.0
123.04546	20.8
123.97281	1.8
129.68118	1.8
131.03737	2.4
132.02168	2.7
132.04559	2.9
133.02019	4.0
133.02972	36.9
134.03773	10.0
134.06160	3.3
135.04547	100.0
136.04021	5.8
137.02429	4.6
143.05061	4.4
145.02988	8.0
148.04057	6.8
149.02481	5.9
149.06084	4.9
150.03223	6.3
151.04033	4.8
157.05331	4.3
158.06128	5.0
159.03259	11.6
159.04507	4.0
160.04063	20.4
161.02469	70.7
162.03021	3.4
163.04086	2.6
165.05606	9.4
177.01907	2.8
179.03520	37.1
180.06679	2.4
183.03246	21.2
184.04057	36.5
192.03038	2.8
193.05057	3.1
197.04599	18.3
205.01476	6.5
211.06163	3.9
228.51137	1.9
236.07149	3.6
239.18192	2.1
248.07278	2.9
250.08728	3.4
251.07137	4.3
263.05969	7.6
264.06693	6.4
265.07449	16.6
266.08362	3.4
267.09070	2.6
274.05038	3.6
276.04202	4.3
276.06802	2.9
277.04999	4.9
278.05493	2.8
279.06763	9.6
280.09781	13.8
281.06897	16.6
282.07761	7.7
282.11133	3.4
290.04724	2.4
290.07889	2.0
291.05426	8.2
291.08841	2.9
292.06235	14.3
292.09167	3.2
293.04239	2.6
293.07217	4.4
293.10361	2.4
294.07819	14.0
295.06091	3.1
297.10071	3.6
305.06885	10.5
306.07657	6.9
306.11295	5.5
306.28134	1.9
309.06546	8.3
316.06171	16.5
317.06876	20.8
318.07742	7.0
320.05829	2.3
320.09366	5.3
321.03888	2.3
324.08826	53.2
325.09311	2.6
326.10251	3.2
332.09323	33.0
342.09601	3.4
344.11313	2.6
348.08694	5.7
350.10489	3.8
359.07767	4.0
362.06671	3.4
368.07672	4.8
368.11670	3.9
370.09781	3.5
376.08072	3.1
394.09366	99.8
412.10181	3.2
442.12994	7.0
460.14053	5.2
477.11887	2.2
478.15128	10.8
486.11996	52.4
487.12595	3.3
492.12848	4.1
504.13098	72.2
505.13412	4.1
522.14124	31.6
530.10736	24.2
532.12433	7.1
548.12335	5.8
556.12469	7.7
566.13220	16.0
592.14789	17.2
666.16107	5.3
684.17517	4.5
702.18347	70.4
703.18286	2.7
728.16083	8.8
746.16858	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	909.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02409	0.3
64.52267	0.3
65.00331	0.6
69.46595	1.1
83.01373	0.3
107.01442	1.7
108.02202	0.8
109.02952	0.7
116.13206	0.3
121.02988	0.8
133.02942	0.8
135.00903	0.5
135.04527	0.9
148.01691	0.8
149.02446	0.4
151.00386	6.4
151.04027	0.3
161.02489	2.2
163.00391	1.2
164.01184	0.4
165.01970	0.3
178.99910	3.1
190.99896	0.3
199.03934	0.5
203.03691	0.3
211.04051	0.8
216.04376	0.3
226.02771	0.7
227.03531	1.8
228.04311	0.3
233.99287	0.3
243.02982	5.3
245.04559	0.8
254.02312	1.1
255.03015	15.7
256.03409	0.8
257.04581	0.3
271.02512	29.0
272.03140	2.1
273.04160	0.7
283.02457	0.8
299.02081	0.7
300.02780	65.4
301.03534	24.4
301.07123	0.5
302.03961	0.3
308.09491	0.3
359.07611	0.3
411.61221	0.3
463.09207	1.4
505.09943	100.0
506.10172	4.6
610.46448	0.3
623.38525	0.3
634.98053	0.3
727.15509	0.3
767.21924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99224	0.9
67.77572	1.0
69.81971	3.0
72.99316	10.3
81.03466	1.2
95.05051	2.4
98.21960	1.9
105.03474	6.5
106.03777	1.6
107.05037	1.6
108.02198	2.5
109.02962	45.8
110.03292	1.9
114.85164	0.9
117.03605	1.4
121.02972	3.7
123.04538	11.2
132.02248	1.3
133.02972	30.3
134.03384	3.6
135.04541	32.6
136.04854	1.9
136.44405	0.9
137.02448	1.4
145.02965	2.3
147.04559	1.2
149.02466	2.8
151.04018	10.0
159.04549	1.7
161.02461	27.9
172.01608	2.4
173.02467	1.3
177.01933	10.5
179.03542	14.3
185.02464	14.2
186.03195	1.7
193.06584	1.7
197.04555	5.2
200.01158	4.9
201.01936	2.9
203.03647	1.7
205.06624	1.5
209.06059	1.1
217.05173	1.4
220.05409	1.6
221.06111	6.4
222.06570	1.1
224.04749	1.6
229.01399	2.0
231.02953	16.2
231.05048	1.4
232.03320	1.0
233.06029	1.3
237.05603	3.2
239.07214	1.7
243.03056	1.9
247.03896	2.3
248.04785	5.8
249.05582	13.3
250.05966	1.0
251.03491	3.1
252.04225	1.8
264.04318	1.4
265.05139	5.9
266.05713	1.6
267.06766	4.6
269.08173	3.6
275.03598	2.6
276.04309	5.0
277.05042	15.4
278.05704	1.3
279.03128	6.6
280.03690	3.4
292.03723	1.4
293.04596	28.2
294.05240	8.5
295.06116	15.8
303.03030	1.9
313.07242	2.7
321.04065	100.0
322.04370	7.9
323.04565	1.9
327.08682	1.6
339.05136	15.6
340.05508	1.6
353.06693	80.1
354.07074	5.0
355.07104	1.3
371.07822	3.5
517.08130	1.2
519.09406	20.4
523.13672	1.4
551.11975	23.2
552.12354	2.1
711.12750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05214	0.9
71.05583	1.1
72.99317	14.2
94.75121	0.9
95.33411	0.8
96.29671	1.0
98.24352	0.8
103.29031	0.8
109.02952	1.6
123.04572	5.4
130.39304	0.8
132.02153	1.7
133.02979	23.9
134.03761	1.3
135.04536	22.2
151.04047	1.5
161.02463	100.0
162.02826	1.8
177.01935	1.7
179.03531	13.2
194.70915	0.9
197.04555	20.0
281.04565	1.2
320.66083	0.8
321.04117	1.9
339.05045	4.5
359.07761	46.9
369.06241	1.6
462.03003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69777	1.9
72.99317	14.1
79.63984	0.4
105.03465	0.7
106.72346	0.5
109.02932	0.8
110.48511	0.5
123.04550	6.4
128.21660	0.5
132.02176	0.9
133.02977	25.1
134.03798	1.0
135.04546	22.0
135.23257	0.5
140.17197	0.4
151.04053	0.5
160.01770	0.5
161.02469	100.0
162.02800	1.5
177.01898	0.6
179.03514	15.1
193.05054	0.6
197.04582	19.9
199.51811	0.6
223.02419	0.9
237.05605	0.7
311.05469	0.6
321.04037	0.9
339.05209	4.3
359.07770	41.4
360.08237	1.2
369.06207	1.2
473.09155	1.1
476.30716	0.5
507.66406	0.5
549.10590	1.4
648.96857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31630	1.7
72.99316	7.2
81.03492	0.4
91.01881	0.6
93.03477	0.6
96.96004	0.9
98.22560	0.5
107.05048	0.5
108.02190	2.1
109.02963	75.4
110.03322	0.8
115.05563	0.5
117.03510	0.4
119.05035	0.5
121.02991	1.6
123.04538	3.2
129.03496	0.7
131.05028	0.5
133.02962	1.8
134.03734	1.1
135.04552	13.4
136.04959	0.4
137.02429	0.5
141.03450	0.7
145.02986	2.7
147.04533	5.1
151.04028	0.3
157.02965	5.4
158.03696	1.2
159.04532	13.9
161.02469	3.7
163.04041	0.5
173.02452	7.7
174.03242	0.7
174.37787	0.3
175.03998	3.6
177.01984	0.8
177.05557	0.8
179.03528	5.4
179.84924	0.3
180.44359	0.3
185.02454	63.4
186.03220	9.9
187.03992	0.6
193.06474	0.4
197.04565	3.9
197.06180	0.5
199.04008	0.7
201.01942	0.3
203.03522	6.0
207.02956	0.4
214.02422	0.4
221.06081	1.3
223.07652	0.5
224.04785	0.7
225.05588	1.0
232.03755	0.4
233.05960	0.3
237.05536	0.7
239.07175	1.3
242.02341	0.4
243.03047	0.5
248.04808	0.7
248.51537	0.3
249.05629	2.7
250.02359	0.3
250.06137	0.6
251.03630	0.5
251.07185	0.7
252.04158	0.9
253.05077	2.2
254.05644	0.6
257.04541	0.7
258.05267	0.5
263.03482	0.4
265.05060	1.4
266.05676	0.7
267.06610	3.3
269.08228	1.9
271.02386	0.4
274.04791	0.7
276.04346	0.4
277.05042	4.6
278.05728	0.8
279.03091	2.5
280.03705	2.1
285.03952	1.5
293.04672	2.7
294.05316	1.3
295.06140	100.0
296.06458	3.6
302.04269	0.9
313.07184	7.1
317.06775	0.5
321.04065	10.2
322.04480	2.0
329.03052	1.3
330.03873	2.7
339.05072	3.9
342.03995	0.4
343.04501	0.6
345.06180	3.3
345.42874	0.3
358.03418	0.4
359.07870	1.7
373.05597	7.5
391.06686	1.5
402.51160	0.3
439.04626	0.4
471.06897	0.3
482.06393	0.6
493.11462	16.2
494.11819	1.0
513.08911	0.8
514.08405	0.8
515.09021	0.9
519.09344	3.7
520.09943	0.4
537.10498	2.3
624.81567	0.3
712.14288	0.4
713.14447	0.5
814.01648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33320	3.9
72.99310	3.7
76.31581	0.9
93.03471	1.1
96.89833	0.9
96.96075	1.0
98.21870	1.7
108.02175	3.2
109.02959	71.3
110.03325	1.7
111.19740	0.9
115.05552	1.1
121.02987	2.6
123.04533	2.3
134.03708	0.8
135.04515	4.2
137.02489	1.7
145.02975	3.6
147.00804	1.1
147.04559	3.2
148.01727	1.6
149.02451	3.0
157.02974	3.2
158.03722	1.4
159.04539	8.5
161.02487	2.3
172.21924	1.0
173.02411	4.3
175.04140	1.3
179.03535	6.4
183.04509	1.3
185.02451	33.2
185.04117	1.7
186.03239	9.8
187.03987	1.2
197.04539	1.7
198.03238	2.4
199.04007	2.8
201.01955	1.3
207.02959	6.1
208.05289	1.4
209.06082	2.0
211.04179	1.3
211.07726	1.0
214.02748	1.5
215.03584	1.7
219.02663	0.9
221.06155	2.4
223.04010	1.1
224.04848	2.2
225.05553	5.5
226.02786	1.7
227.03500	3.6
229.01346	2.0
232.03711	1.6
239.07176	2.4
241.05048	1.1
242.02223	2.7
243.02971	4.0
246.05287	1.2
248.04860	1.7
249.05594	6.9
251.03535	2.9
252.04286	4.3
253.01479	1.9
253.05138	1.2
254.02147	1.4
254.05853	1.1
257.04465	1.5
258.05368	2.8
260.03238	1.7
261.04010	1.8
265.05072	2.0
266.05823	2.3
267.06644	6.4
269.04553	1.7
269.08252	2.7
271.02518	3.2
273.04245	1.2
274.04834	5.1
275.05710	2.6
277.05054	11.1
279.03015	7.0
280.03763	9.4
281.04303	0.9
283.02618	1.7
284.03265	1.2
285.04099	9.1
286.04813	3.3
287.05792	1.0
293.04669	4.0
294.05292	1.3
295.06137	52.5
296.06491	1.9
298.01114	1.3
301.03629	2.1
302.04413	7.1
303.05521	1.0
313.03571	2.1
313.07068	2.0
314.04239	2.8
315.05142	2.9
317.06717	6.2
321.04062	18.3
327.05017	0.9
329.03107	11.5
330.03824	37.1
331.04562	2.2
339.05115	82.0
340.05414	2.5
341.02893	1.2
342.03671	6.0
343.04535	10.1
344.05429	4.0
345.06158	40.3
355.04520	1.8
357.05972	1.0
358.03159	5.3
363.07181	1.3
373.05670	100.0
374.06012	2.6
391.06793	3.6
464.84802	0.9
466.69220	0.9
485.33093	2.7
493.11380	1.4
519.09277	3.0
695.10510	3.8
713.12866	1.5
794.78467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99312	6.3
76.76021	0.5
91.01914	0.6
96.04510	0.5
108.02195	1.8
108.14352	0.5
109.02962	43.0
110.03294	1.0
113.04003	0.7
117.03463	0.6
121.03011	1.2
122.03730	0.8
123.04564	3.8
131.28868	0.5
133.03021	0.6
134.03749	1.4
135.04546	12.6
135.05359	0.5
137.02461	0.9
145.02998	2.2
146.03789	0.8
147.04555	2.1
149.02512	1.5
151.04041	0.8
157.02968	2.7
158.03729	1.1
159.04570	6.2
161.02498	0.8
163.00375	0.8
169.34544	0.5
173.02457	4.0
174.03192	1.0
175.04053	1.6
179.03499	4.7
181.06612	0.5
184.01581	0.7
185.02461	34.1
186.03223	7.6
187.04048	0.8
193.06569	2.4
197.04579	4.8
197.06136	0.7
199.04071	0.6
203.03513	1.3
204.05780	0.6
205.06667	0.6
207.04561	0.6
209.06125	1.8
213.01965	2.2
219.04544	1.2
220.05386	0.8
220.87146	0.5
221.06056	4.1
223.04025	1.2
224.04901	0.7
225.05630	2.6
229.01534	1.7
232.05348	1.0
233.06119	1.2
235.04070	1.2
236.04820	1.2
237.05560	3.1
239.07141	1.9
247.04071	2.2
248.04788	3.9
249.05592	9.5
250.02715	0.6
250.06265	1.5
251.03534	6.0
251.06256	0.6
251.07262	0.9
252.04228	3.0
253.05032	1.6
263.03564	1.4
264.04294	2.2
265.05075	8.4
266.05777	1.8
267.06628	6.5
269.08185	1.0
275.03635	2.0
276.04227	2.2
277.05069	13.8
278.05621	1.5
279.03046	18.5
280.03830	5.3
281.03979	0.6
291.02902	1.3
292.03867	2.4
293.04590	18.7
294.05234	4.0
295.06146	30.7
296.06467	2.3
303.03064	2.8
304.03729	0.6
313.07263	1.1
319.02481	5.5
320.03226	1.4
321.04071	100.0
322.04498	8.3
338.04309	1.0
339.05106	32.8
340.05627	3.0
391.10507	1.3
473.08749	1.8
475.10861	0.6
483.07492	1.0
489.11954	1.6
490.12137	0.6
493.11630	4.6
494.12177	0.8
501.08273	0.8
515.09857	7.7
516.09930	0.5
517.07745	0.8
518.08508	0.7
519.09381	81.7
520.09668	7.4
533.11035	1.6
537.10199	1.7
681.12756	3.3
713.15234	3.7
731.15729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94170	0.8
66.60416	1.0
67.38305	0.9
70.47567	1.3
72.99327	6.0
94.92992	0.8
108.02168	1.3
109.02964	44.1
110.03201	0.9
122.03796	1.4
123.04539	2.8
133.02924	1.6
134.03737	1.8
135.04532	12.2
145.02963	1.6
147.04538	2.1
149.02379	1.1
157.02985	2.3
159.04523	7.6
161.02409	1.7
173.02405	4.4
174.03175	1.4
175.04036	2.2
179.03529	4.3
185.02451	34.7
186.03261	5.7
193.06624	2.0
197.04562	2.6
203.03590	2.2
209.06143	2.5
216.04376	0.9
219.04524	1.2
220.05154	1.4
221.06134	5.1
225.05646	2.5
229.01463	2.1
235.04102	1.5
237.05574	1.8
239.07068	1.5
247.04039	3.0
248.04880	1.9
249.05571	10.8
250.02570	1.5
251.03458	4.2
252.04221	2.6
253.05084	1.1
260.04745	1.3
264.04343	2.6
265.05020	7.3
266.05878	2.0
267.06723	4.4
275.03391	1.8
276.04181	2.3
277.05063	11.9
278.05649	1.4
279.03049	15.9
280.03671	4.5
291.02896	1.6
292.03888	1.1
293.04605	16.0
294.05240	2.8
295.06143	37.7
303.03070	2.5
319.02405	3.6
320.03192	1.5
321.04062	96.1
322.04520	5.2
339.05115	34.1
340.05313	2.0
349.27280	1.0
429.49112	0.9
435.41422	1.1
474.10022	1.0
493.11295	7.1
515.09705	6.5
519.09387	100.0
520.09869	5.6
521.19946	1.0
533.10864	1.2
535.07983	1.3
537.10419	2.7
713.12384	1.2
717.14532	1.3
817.97333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.205
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74292	0.4
64.97662	0.3
65.86333	0.3
68.23129	0.3
69.31764	0.3
69.69866	1.4
72.99312	2.8
77.36394	0.3
79.53410	0.3
91.01877	0.5
93.03442	0.3
107.01313	0.4
108.02183	1.2
109.02967	31.0
113.04035	0.7
115.05553	0.5
121.02975	0.9
123.04543	1.6
133.02966	0.9
134.03758	0.7
135.04546	6.5
137.02429	1.0
141.03465	0.5
145.02989	1.1
147.04547	1.3
148.73520	0.3
149.02477	1.1
151.04083	0.7
157.03009	1.8
157.25323	0.3
158.03725	0.4
159.04550	3.1
160.01677	0.8
161.02449	1.4
163.04120	0.4
173.02440	2.1
174.03197	0.5
175.04013	1.2
177.01917	0.7
179.03503	2.1
181.05133	0.6
184.01740	0.6
185.02460	23.1
186.03215	4.4
187.03983	0.4
193.06552	2.0
197.04576	2.0
197.06158	0.7
198.64342	0.4
201.01843	0.5
203.03603	0.8
204.05858	0.5
207.04512	0.8
209.06171	0.9
213.01942	0.5
219.04518	1.0
220.05275	1.2
221.06073	4.3
223.04070	0.9
223.07829	0.4
224.04872	1.1
225.05640	2.3
229.01537	0.7
232.05322	0.7
233.06197	0.5
236.04845	0.5
237.05519	1.4
238.06252	0.5
239.07213	1.0
247.04001	1.6
248.04778	2.7
249.05574	7.2
250.03134	0.4
250.06232	0.9
251.03539	6.2
252.04213	2.1
253.05095	1.0
263.03387	0.7
264.04282	1.3
265.05069	7.3
266.05737	1.6
267.06589	3.3
269.08340	0.4
275.03549	1.1
276.04312	1.6
277.05057	11.9
278.02280	0.5
278.05478	0.7
279.03003	14.5
280.03748	5.4
281.04346	0.5
292.03812	0.9
293.04587	11.4
294.05130	1.4
295.06143	21.4
296.06396	1.4
301.53305	0.4
303.03085	2.6
304.03299	0.4
313.07144	0.5
319.02490	1.0
321.04062	100.0
322.01013	0.7
322.04453	5.7
339.05133	25.7
340.05411	1.1
373.05435	0.5
391.10382	0.5
402.47607	0.4
457.09427	0.4
475.10519	0.8
493.11185	1.9
515.09863	0.7
519.09393	57.3
520.09674	5.6
537.10205	1.0
713.14392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71558	1.7
68.86516	1.5
72.99297	4.2
80.56993	1.6
87.03419	1.6
91.14236	1.8
96.55541	2.1
99.20494	1.9
108.02219	2.4
109.02962	54.4
121.03014	2.5
123.04507	4.7
129.03525	1.8
133.02951	2.4
135.04509	14.3
145.02934	2.9
147.04570	2.7
149.02394	2.8
157.02971	3.4
159.04495	9.3
161.02487	4.5
173.02487	5.6
179.03539	7.3
185.02451	38.9
186.03163	6.7
197.04636	5.4
198.31854	2.0
202.04660	1.7
209.06165	2.8
213.01851	2.5
219.04666	1.9
221.06091	3.5
225.05470	3.0
237.05664	5.2
247.03899	1.8
248.04819	2.3
249.05643	11.1
250.05948	1.8
251.03516	5.1
252.04260	2.7
253.18260	1.8
264.04272	3.8
265.05048	11.3
266.05774	2.3
267.06665	5.4
276.04227	3.1
277.05008	13.8
279.03040	16.1
280.03748	6.4
291.03143	1.8
293.04578	18.6
294.05237	4.9
295.06134	41.7
296.06534	2.4
303.02979	2.6
313.07269	2.4
319.02533	3.9
321.04047	100.0
322.04523	7.9
339.05142	35.7
340.05453	2.5
351.56363	2.1
365.60349	2.0
371.13278	1.8
398.70444	2.0
424.92236	2.2
489.11920	2.1
493.11325	8.6
515.09741	5.7
519.09375	93.9
520.09485	6.4
768.70715	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	911.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	9.2
77.16568	0.8
78.74625	0.8
93.03477	1.0
108.02198	1.7
109.02960	43.1
110.03286	2.2
117.23075	0.8
121.02955	3.1
123.04549	6.4
133.02989	6.2
135.04530	17.5
136.04866	1.2
137.02470	1.0
145.03020	1.8
146.03717	0.9
147.04538	1.5
149.02452	2.3
151.04012	2.9
159.04477	2.5
161.02455	15.5
162.02805	1.7
172.01666	2.4
173.02496	2.3
175.03987	1.9
177.01959	1.2
179.03522	7.2
185.02451	16.4
186.03177	2.4
193.06618	1.8
197.04591	5.9
200.01169	2.5
201.01926	2.4
203.03493	1.1
205.06790	1.1
209.06039	1.2
209.77820	1.0
217.05127	2.1
219.04437	1.3
220.05331	1.5
221.06160	6.4
223.03981	1.7
225.05611	1.8
229.01474	1.2
231.02968	14.9
232.03401	1.2
232.05388	1.1
233.06137	1.7
235.04066	1.1
236.04979	1.2
237.05534	4.1
243.02968	1.5
247.04001	2.1
248.04727	5.6
249.05582	14.6
250.05957	1.7
251.03522	5.2
252.04156	1.8
253.04665	1.1
263.03452	1.2
264.04349	1.8
265.05051	7.0
266.05676	3.3
267.06589	3.1
269.08127	1.1
275.03680	2.2
276.04263	4.6
277.05069	15.3
279.02875	8.0
280.03802	4.4
292.03778	1.9
293.04590	28.5
294.05157	8.8
295.06122	17.5
296.06384	2.2
303.03021	3.1
309.07721	1.3
319.02481	1.4
321.04059	100.0
322.04462	10.0
323.04587	3.4
327.08813	2.0
335.05743	1.3
339.05078	14.4
340.05377	2.1
353.06708	80.2
354.07056	10.3
355.07242	2.4
359.07672	2.5
371.07632	3.2
501.32138	2.3
519.09412	27.4
520.09760	3.2
521.10352	1.2
551.11963	22.5
552.12335	2.9
553.12482	1.0
669.13361	1.0
715.14764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99315	8.4
73.97462	0.7
96.96015	3.0
98.22608	2.3
105.03458	2.9
108.02197	3.0
109.02961	77.3
110.03304	2.0
113.91235	0.8
121.02948	3.4
122.59442	0.8
123.04532	5.9
128.66937	0.7
129.03526	0.8
133.02974	9.5
133.05209	0.7
134.03752	1.3
135.04538	18.5
136.04839	1.0
137.02406	0.9
145.02977	3.2
147.04507	3.1
149.02438	1.8
157.02925	4.9
158.03755	1.3
159.04524	10.9
161.02463	16.6
173.02480	6.8
174.03163	1.2
175.04042	3.3
177.01961	3.4
179.03513	8.0
181.64780	0.8
185.02449	59.3
186.03201	11.3
193.06563	1.3
197.04564	8.7
203.03505	3.9
214.02585	1.1
220.05214	0.9
221.06026	4.2
222.06348	0.9
223.07742	0.8
224.04710	1.5
225.05602	3.2
229.01369	1.2
232.05301	0.8
236.04716	1.1
237.05559	2.6
238.06194	1.0
239.07129	1.8
247.03984	1.6
248.04741	2.5
249.05545	9.0
250.06271	1.2
251.03510	4.6
251.07240	1.2
252.04265	2.2
253.04996	3.1
264.04395	0.9
265.05060	8.1
266.05627	1.4
267.06693	6.0
268.06876	0.9
269.08301	2.3
275.03366	1.0
276.04218	2.5
277.05057	13.9
278.05688	1.5
279.03018	14.7
280.03738	7.3
293.04562	11.9
294.05118	2.1
295.06131	83.4
296.06479	4.3
303.02969	2.3
313.04105	0.8
313.07144	4.8
319.02240	1.0
321.04050	100.0
322.04428	5.2
329.03189	1.0
330.03873	1.8
339.05099	28.3
340.05426	1.6
345.06284	2.3
347.07523	1.1
353.06714	0.8
359.07693	9.3
373.05676	6.3
391.06580	1.4
473.09027	2.6
493.11487	12.4
501.32101	4.3
503.09503	1.0
515.09064	1.4
519.09369	65.3
520.09760	3.0
533.11096	1.5
537.10339	2.7
713.14667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	6.0
96.96004	1.3
98.22630	2.0
105.03447	1.3
106.16609	0.6
108.02176	2.1
109.02963	51.1
112.42482	0.6
121.02959	1.8
123.04533	4.0
126.59923	0.6
133.02959	6.3
134.03673	0.7
135.03618	1.1
135.04558	13.0
145.02946	2.8
147.04535	2.5
149.02454	1.6
157.03011	3.1
157.53561	0.6
158.03722	1.2
159.04533	6.2
160.01604	1.0
161.02458	8.2
173.02448	5.2
174.03232	0.8
175.04033	2.0
177.01949	2.2
179.03496	5.5
185.02443	40.8
186.03200	8.7
193.06609	1.8
197.04550	5.6
203.03543	2.2
209.06067	1.8
211.03911	0.7
219.04617	0.9
220.05333	1.1
221.06085	5.0
223.04057	1.1
223.07697	0.7
224.04799	1.0
225.05531	2.8
229.01440	1.2
232.05408	0.8
235.04095	1.0
236.04782	1.0
237.05634	1.8
239.07149	2.0
247.03905	1.5
248.04716	2.4
249.05565	8.0
251.03496	7.0
252.04253	1.7
253.05049	1.6
260.04742	0.7
263.03656	0.8
264.04367	1.1
265.05106	7.3
266.05728	1.5
267.06680	4.8
269.08267	1.3
275.03525	1.4
276.04272	2.0
277.05078	15.1
278.02573	0.7
278.05655	1.2
279.03009	19.0
280.03687	7.0
285.03897	0.7
286.09964	0.6
292.03671	1.0
293.04584	13.1
294.05112	2.1
295.06125	53.1
296.06451	2.3
303.03052	2.5
313.07181	2.9
319.02377	0.9
321.04056	100.0
322.04355	5.1
330.03934	1.1
339.05109	27.1
340.05530	1.7
345.06207	1.1
359.07776	4.2
373.05612	3.2
473.09198	1.6
481.05554	0.8
493.11407	6.7
514.08472	0.7
519.09381	60.7
520.09735	4.4
537.10455	2.5
607.25806	0.7
713.14355	1.0
732.66882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83251	1.4
65.41302	1.1
68.97006	1.1
69.03458	2.9
70.86454	1.1
71.01390	43.8
72.99329	6.8
73.02954	100.0
75.00877	1.9
75.84316	1.2
83.01392	26.7
85.02968	7.3
89.02460	11.7
93.03480	4.2
95.01420	1.8
96.96042	3.1
98.21824	2.9
100.96270	1.3
101.02453	77.3
107.23959	1.1
109.02976	2.5
113.02454	28.4
119.03526	11.0
122.21822	1.3
123.04538	2.1
125.02471	3.0
129.90723	1.3
131.03508	9.8
133.02962	10.3
135.04535	12.3
137.02420	1.7
143.03540	7.8
145.02960	1.3
149.04573	17.7
151.43367	1.4
155.03534	3.3
161.02492	21.6
161.04556	30.1
161.09731	20.2
162.08658	1.5
172.23836	1.3
177.01921	1.5
179.03526	6.0
183.85110	1.3
197.04623	3.8
203.05647	4.5
203.10846	1.6
214.68253	1.4
221.06638	12.2
295.06076	2.3
321.04111	4.0
339.05038	2.8
359.07706	6.8
397.22736	1.3
535.88568	1.4
650.28510	1.2
949.44934	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	911.7146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16425	2.3
69.16824	5.4
98.22604	2.5
116.90838	1.1
194.24440	1.1
233.29736	1.3
455.35364	100.0
456.35626	2.4
559.45905	1.1
582.25555	1.2
642.46484	1.1
781.30841	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	1.0
72.99326	0.6
73.02954	0.9
95.59738	0.4
101.02428	0.7
108.47281	0.4
109.02982	0.9
117.03494	1.3
119.05025	4.7
119.05703	0.5
123.04516	0.6
125.17274	0.4
133.02991	1.3
133.06618	1.3
135.04541	2.3
145.02982	5.9
146.03522	0.4
159.04604	0.5
161.02437	3.4
161.06122	3.1
163.04041	4.6
163.47040	0.4
164.01117	0.6
165.01909	0.9
177.05536	0.6
179.03517	1.5
183.04565	0.5
185.02477	0.5
186.03362	0.5
187.03955	0.8
192.00702	0.4
199.04041	0.9
205.05096	3.7
211.04143	1.5
212.04703	1.9
213.02036	0.7
226.02750	1.5
227.03508	2.5
228.04312	1.2
235.06226	3.2
239.03500	2.4
240.04179	0.5
241.05031	1.0
254.02145	0.9
255.02969	5.6
256.03799	61.8
257.04114	1.5
265.04587	0.9
265.07220	10.5
268.03656	0.6
269.04581	1.1
270.05344	2.7
271.06146	100.0
272.06488	3.6
279.02966	0.7
280.03769	2.3
282.05237	1.0
283.06067	0.6
295.02914	0.6
295.06104	1.8
297.04099	0.5
297.07492	0.4
310.04797	1.6
313.06985	0.6
315.05115	1.9
321.04037	1.4
322.04959	0.5
325.09607	0.7
336.06766	0.6
339.05103	0.7
357.06400	0.4
359.07870	1.3
397.09244	0.6
415.10281	0.5
429.21338	0.6
457.11432	12.3
458.11813	0.6
483.09116	1.0
517.13403	1.5
519.09247	1.6
543.11487	4.6
561.12561	16.9
562.13373	0.5
593.43359	0.4
603.13318	0.8
634.25482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	7.8
80.46125	1.0
93.03461	1.2
96.95981	1.2
98.22775	1.6
99.22807	0.9
108.02169	2.0
109.02959	45.9
113.03952	1.0
121.02972	2.1
123.04533	2.7
132.60272	1.0
134.03783	1.5
135.04549	15.5
145.02975	3.4
146.03741	1.8
147.04483	1.8
149.02463	7.2
157.02943	2.1
158.03662	1.2
159.04556	7.6
161.02455	1.4
173.02428	3.6
175.03946	1.6
179.03601	4.5
185.00858	2.0
185.02454	30.8
186.03175	3.5
187.03931	0.9
193.06631	1.7
197.04565	5.3
208.05254	2.2
209.06076	2.1
217.01727	0.9
221.06061	4.6
223.04056	1.4
223.07672	2.6
225.05615	1.3
229.01459	1.5
232.05260	1.1
235.04112	1.1
236.04759	3.4
237.05586	2.7
239.07271	1.2
248.04752	2.2
249.05583	8.9
250.02605	1.1
251.03401	4.6
251.07146	2.7
252.04268	1.8
253.04974	1.4
263.03546	1.6
264.04257	1.9
265.05029	8.8
266.05923	1.0
267.06607	6.1
275.03601	1.8
276.04337	2.8
277.05148	14.6
279.03009	84.7
280.03708	9.2
291.03033	1.6
292.03781	2.4
293.04578	17.0
294.05179	1.5
295.06146	51.8
296.06461	2.5
303.02963	3.7
311.05798	1.1
313.07169	1.1
319.02451	1.8
320.03198	1.4
321.04050	100.0
322.04337	4.3
339.05093	18.9
376.41791	1.1
487.34198	1.1
493.11371	2.8
517.11444	57.4
518.11835	1.7
519.09381	41.5
520.09235	2.2
535.12573	21.7
537.10333	1.5
672.87201	1.1
689.18988	2.6
715.16760	35.3
715.29480	1.8
716.16833	1.7
759.42694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99300	4.9
90.83080	0.7
108.02184	1.0
109.02965	26.2
113.03965	1.1
121.02969	0.8
123.04565	2.1
135.04562	8.0
144.73563	0.6
145.02917	1.1
147.04520	1.0
149.02477	1.0
157.02983	1.4
158.03827	0.8
159.04543	3.2
163.91389	0.9
173.02466	1.4
175.04100	1.0
179.03520	2.3
185.02452	22.6
186.03238	5.6
193.06607	1.5
197.04596	2.2
203.03485	1.7
203.05223	0.9
204.05981	1.2
215.40967	0.9
221.04214	0.9
221.06012	3.8
223.04085	1.0
225.05653	1.8
231.04680	0.8
232.05272	1.2
232.54727	0.7
237.05502	1.3
239.07338	1.5
247.03976	1.3
248.04930	2.1
249.05568	8.8
251.03563	5.3
252.04305	2.1
253.05124	0.8
263.03506	0.7
264.04248	1.3
265.05057	7.7
266.05771	1.3
267.06616	3.6
275.03500	1.4
276.04337	1.9
277.05087	13.4
278.05402	1.1
279.02994	15.4
280.03769	4.8
292.03922	1.2
293.04578	12.6
294.05322	1.2
295.06152	23.2
295.09412	1.5
301.59482	0.8
303.03055	2.4
303.96655	0.8
321.04062	100.0
322.04425	4.4
339.05124	23.2
340.05576	1.1
353.60254	0.7
475.10803	0.8
477.37476	0.7
493.11621	3.3
519.09381	93.0
520.09717	6.7
537.10602	3.3
697.11505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88080	2.4
72.99299	4.1
78.61668	0.7
83.33910	0.7
92.84020	0.7
108.02187	1.1
109.02964	33.5
113.04012	0.8
121.03024	1.0
121.15008	0.8
123.04533	1.5
131.49295	0.7
135.04546	8.2
137.02457	1.2
137.59224	0.7
145.02968	1.0
147.04541	1.5
157.02946	1.6
159.04535	2.3
173.02440	1.4
175.04025	1.2
179.03540	2.5
185.02449	24.7
186.03148	4.3
193.06595	1.7
197.04559	3.2
203.03491	0.9
209.06114	1.3
211.07614	0.8
213.05597	0.8
220.05276	0.9
221.06091	4.5
223.04015	1.0
224.04768	0.7
225.05519	2.0
229.01393	1.0
233.06017	0.9
237.05585	2.1
239.07246	1.4
247.04063	1.2
248.04782	3.2
249.05611	9.3
250.06320	1.0
251.03506	6.2
252.04277	2.0
253.05089	0.9
264.04364	0.9
265.05148	6.5
267.06659	3.9
273.94205	0.7
275.03540	1.4
276.04276	1.1
277.05045	12.8
278.05719	0.8
279.03006	17.4
280.03717	6.1
281.04086	0.8
292.03995	1.0
293.04590	11.7
295.06146	23.4
303.03055	2.6
321.04059	100.0
322.04456	3.8
339.05109	22.8
340.05621	1.3
355.16315	0.7
358.46384	0.7
493.11389	3.0
519.09387	93.0
520.09790	4.8
537.10571	2.0
715.13940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47789	0.8
71.01397	1.3
72.99323	0.6
73.02982	0.4
79.95766	0.4
82.10161	0.3
83.01398	0.8
85.03000	0.5
89.02444	0.5
93.03471	0.8
96.96025	1.0
101.02481	0.9
107.97784	0.5
109.02946	0.4
109.80590	0.4
113.02440	1.1
117.03489	1.2
119.05041	100.0
120.05388	1.6
123.04547	0.5
125.86532	0.5
132.02182	1.1
133.02986	2.3
134.03754	17.0
135.04550	2.5
137.02444	0.6
147.04564	3.3
148.05283	2.6
148.87936	0.4
149.06114	2.9
158.03737	0.7
160.01666	5.6
161.02454	1.8
161.13397	1.1
162.03352	0.5
163.04028	92.6
164.04433	1.0
171.52245	0.4
174.03241	0.5
175.04025	8.7
175.05490	0.7
176.04828	7.6
177.01961	1.8
178.02728	2.2
179.03490	0.9
187.11282	2.6
191.07166	10.3
192.04314	0.7
193.05081	13.0
197.04628	0.4
205.05078	0.5
205.12331	1.4
207.06613	3.4
220.03819	1.5
235.06129	16.4
249.11252	0.7
255.10493	0.4
265.07205	5.4
267.06873	0.4
295.08270	7.0
307.08170	0.5
325.09348	4.0
337.09262	0.5
339.04984	0.7
355.10352	2.5
378.33264	0.4
393.15573	0.9
513.21436	5.8
525.46484	0.5
557.20270	8.8
557.28912	0.4
587.21741	0.5
737.26434	1.2
746.23920	0.6
749.26001	0.9
837.29034	1.0
869.31976	1.6
913.31421	9.7
914.31439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42071	2.8
64.92214	2.4
71.01411	4.2
71.40868	2.6
72.99320	9.8
73.02953	4.1
100.58300	2.2
101.02446	11.4
109.02969	17.2
123.04545	2.5
135.04538	20.0
151.04031	2.5
157.02930	2.5
159.04613	3.6
161.02492	6.0
169.40182	2.7
179.03506	6.7
185.02434	10.6
197.04579	8.0
203.05659	4.8
221.06354	3.0
277.05090	3.3
279.02939	6.5
280.03656	3.3
293.04684	5.4
295.06079	8.7
321.03995	25.6
322.04315	7.1
339.05164	14.4
340.05533	3.3
441.33768	11.1
459.34418	3.4
485.32971	6.2
503.26337	4.7
503.33810	100.0
519.08875	4.8
545.35046	23.5
749.41034	4.1
869.45996	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	915.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	1.8
69.70545	0.8
72.99316	10.1
77.25231	0.8
87.00880	5.7
89.03977	1.0
99.04551	1.4
109.03006	2.7
111.00873	1.5
112.98825	15.0
117.03499	2.2
123.04550	1.6
123.24078	0.8
127.00375	1.7
132.02188	1.5
133.02969	2.1
134.03758	31.1
135.04558	11.9
136.01642	1.0
137.02469	1.2
147.04509	1.5
149.06090	10.5
151.04004	2.0
153.01913	1.4
158.03760	1.2
159.04503	1.4
160.01663	8.9
161.02469	9.9
162.03235	10.6
163.03902	1.0
174.03270	1.3
175.04018	12.7
176.04776	3.7
177.05618	4.5
178.02771	5.9
179.03574	4.8
185.02452	1.2
186.03287	1.4
190.02747	6.9
191.07135	4.3
193.05086	13.4
197.04538	5.5
201.01984	1.0
202.02733	3.1
204.04227	1.1
205.05070	8.1
218.02223	2.7
219.06595	1.9
230.02266	2.7
233.04567	38.5
235.06175	2.4
245.04517	4.9
258.31787	0.9
263.05624	1.8
289.03613	2.7
295.05939	1.7
307.04639	100.0
308.04895	2.2
359.09732	3.1
484.60709	0.8
486.03683	0.9
521.13092	1.9
533.05328	0.9
561.93054	0.9
878.08899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15383	18.2
71.01389	3.5
77.03972	2.9
81.03457	6.7
81.18271	3.6
83.01394	4.5
93.03436	3.4
95.05060	8.3
99.04529	7.1
108.02206	9.3
109.02962	63.1
120.02209	4.3
121.02949	15.0
123.04549	9.6
124.01614	3.7
125.02462	25.0
132.54726	3.0
133.02974	26.5
135.00955	3.2
135.04538	58.0
137.02444	24.4
139.04088	4.8
145.03015	3.5
147.00896	3.6
147.04559	3.7
148.01675	5.8
149.02469	54.6
149.06047	5.6
161.02470	79.5
163.00409	7.7
163.04074	4.3
164.01215	29.8
165.01956	57.8
166.02696	7.9
167.03511	66.0
171.04544	3.2
175.04002	15.1
175.85323	2.9
176.01175	7.6
177.01978	9.9
177.05580	8.1
179.03516	41.3
189.05493	4.1
190.02686	4.3
190.99869	14.3
191.03545	12.7
192.00687	25.4
193.01440	62.5
197.06178	3.5
198.03256	3.4
199.04041	19.6
201.01979	4.4
211.04041	7.4
213.02042	4.7
213.05611	5.4
214.02782	5.8
215.03506	6.7
216.04272	3.7
217.05087	16.5
219.03210	4.2
221.04570	12.3
223.04044	10.9
229.05070	5.9
239.03505	7.7
240.04271	5.3
241.05116	22.4
243.02997	9.4
251.05548	7.6
256.03775	16.2
257.04660	18.6
259.06033	4.0
265.26987	3.1
267.03006	100.0
281.06668	13.1
284.03326	36.8
285.04053	96.8
288.73773	4.1
303.05139	23.9
309.03751	4.7
323.07825	16.2
329.08835	11.1
341.08850	18.3
351.76303	3.3
355.06891	4.5
359.07681	8.9
426.40228	3.7
447.09509	9.2
465.10327	5.8
471.09586	5.5
489.10574	10.5
491.12057	23.4
501.10428	14.2
517.10034	43.2
531.11438	21.2
549.12567	53.2
555.49512	3.4
565.13593	12.8
583.14807	4.9
591.15485	3.6
609.12616	63.4
627.13586	27.1
652.52216	3.2
711.17999	10.2
737.19916	6.2
763.17255	10.1
831.20532	4.7
873.21100	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16816	0.6
69.03471	0.7
69.16694	3.3
71.01377	3.5
71.05020	5.4
72.99324	1.6
73.02948	1.5
76.52116	0.6
76.58272	0.6
77.03979	1.9
81.03471	0.6
82.23292	0.5
82.58922	0.6
83.01396	2.3
85.02965	0.6
89.02454	1.6
89.79348	0.6
91.01888	0.5
93.03481	2.6
94.93083	0.5
95.01400	0.7
95.05030	2.8
97.02965	12.4
99.48419	0.7
101.02445	1.9
105.03479	1.0
108.02177	2.6
109.02959	16.9
111.04480	0.5
113.02425	1.1
117.03477	5.6
118.04248	0.9
119.05040	31.6
121.02961	8.2
123.00901	0.6
123.04537	2.0
131.04993	0.7
132.05785	1.7
133.02974	3.9
133.06622	8.0
135.04539	5.6
137.02464	27.1
139.04027	64.0
145.02969	37.1
146.03329	0.6
147.04538	1.2
149.02472	1.2
149.06119	0.7
151.04004	1.7
152.01195	1.3
153.01958	29.6
153.05525	1.3
159.04555	1.5
160.05168	0.5
161.02478	4.9
161.06094	19.3
163.00415	3.2
163.04030	37.5
164.01173	1.7
165.01945	100.0
166.02286	1.1
175.03972	0.7
176.01149	1.2
177.01965	2.0
177.05539	5.3
179.03517	4.3
181.05095	1.7
183.03055	1.8
187.04048	2.3
189.01945	2.1
191.03548	1.6
193.05151	1.0
194.01262	0.5
195.03075	1.6
195.41760	0.6
197.04613	0.9
203.03505	1.1
205.05080	21.8
207.03047	2.2
219.02948	1.0
230.02194	0.6
235.06128	14.6
247.06084	0.6
265.07187	33.3
266.07523	0.8
291.05286	0.7
307.08377	1.1
325.09308	19.7
351.07092	1.1
369.08282	0.9
387.09329	1.4
399.08975	1.2
399.13544	1.4
401.08893	2.5
411.09372	5.1
429.10403	99.4
430.10745	3.0
437.07471	1.3
461.11038	4.3
547.11023	5.0
565.12103	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	917.2
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.7
69.03447	0.9
69.37665	3.0
71.01383	5.7
71.05019	3.8
72.99282	1.1
73.02934	1.1
77.03967	1.3
83.01414	2.0
85.02964	1.2
89.02474	2.1
93.03462	2.9
95.05016	1.6
97.02960	11.1
98.37862	0.7
101.02443	3.1
108.02174	1.4
109.02967	13.0
109.96944	0.6
113.02502	1.6
117.03487	10.3
118.04273	1.2
119.05044	56.5
120.05387	0.8
121.02976	11.3
123.04542	1.7
131.05042	1.0
132.05829	2.9
133.02975	2.7
133.06609	13.4
134.03743	1.5
135.04587	4.5
137.02455	27.8
139.04031	59.0
145.02969	61.6
146.03400	1.1
147.04562	1.5
149.02475	1.0
149.06119	1.1
151.04022	1.1
152.01187	0.7
153.01959	30.1
153.05588	2.0
159.04601	1.0
160.01688	2.6
161.02484	9.2
161.06096	31.3
162.03244	0.9
163.00357	3.0
163.04033	59.0
164.01167	2.6
165.01947	100.0
166.02477	0.9
174.95805	0.8
175.03999	2.8
177.01915	1.7
177.05589	7.0
179.03557	2.2
181.05084	3.0
183.03008	2.1
187.04047	3.2
189.01962	2.7
191.03503	2.1
191.07082	0.9
193.05032	1.7
195.03032	2.3
197.04584	1.6
205.05081	32.8
207.03014	2.8
219.02921	1.1
235.06151	29.3
236.06421	0.7
265.07193	56.4
266.07626	0.9
277.81332	0.8
299.05630	8.0
307.08194	1.3
325.09305	30.9
337.09354	1.8
341.06747	1.7
351.07275	2.3
359.07736	2.0
371.07748	3.0
387.09497	1.2
399.09286	1.6
401.08771	13.2
411.09241	6.2
429.10425	98.9
430.10736	2.3
443.09821	0.8
461.10950	8.1
547.10901	7.6
551.18060	0.7
565.11945	6.7
607.12805	1.3
619.13928	0.7
755.25537	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	917.208
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	11.2
109.02969	20.5
114.05586	13.8
121.02953	5.3
123.04523	4.7
124.95532	2.7
133.02948	7.3
134.03749	4.1
135.04544	100.0
153.04630	2.8
159.04565	4.3
161.02449	31.9
179.03563	22.6
183.29944	2.9
185.02516	7.3
187.03946	6.9
197.04546	13.4
197.34590	2.9
215.03520	12.4
234.38493	3.1
259.02545	11.3
279.03064	4.3
295.06030	5.5
320.09277	4.3
321.04004	14.2
322.04413	5.2
323.04831	3.1
339.05087	5.2
359.07767	9.6
369.06363	4.0
407.74237	3.3
511.14029	3.7
520.09247	3.2
549.10394	13.4
576.80750	3.1
737.16779	17.9
917.21332	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	919.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59194	13.9
70.69086	23.8
71.01399	16.4
75.59766	12.7
88.98800	15.9
89.02493	13.8
95.73949	15.0
96.96018	29.9
118.42787	13.3
129.97040	13.4
147.63135	13.4
207.10339	70.5
225.11385	25.2
256.89825	14.2
277.21664	54.4
397.13522	66.4
447.61780	15.2
495.48257	15.8
733.83496	17.9
883.14539	18.1
883.47516	100.0
919.45306	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.343
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67496	0.7
69.03455	0.9
71.01394	13.2
71.42771	0.8
72.99306	1.0
73.02956	19.7
80.05061	2.3
83.01420	3.9
85.02979	3.4
87.00887	1.5
89.02450	4.7
94.06614	1.2
95.01407	1.3
96.96041	1.0
97.02919	0.8
99.00921	1.0
101.02467	11.3
104.05077	1.5
105.03480	0.8
106.06638	6.8
107.03790	1.1
108.04559	1.5
108.08152	0.7
109.02994	1.2
113.02464	5.3
118.06685	0.6
119.03484	1.5
120.04546	1.1
120.08169	0.8
121.05329	1.1
122.06145	11.4
130.06668	0.9
132.04559	2.2
133.02962	3.8
134.06143	32.6
135.04514	3.0
136.07654	1.7
146.06126	1.9
148.04005	0.7
150.05580	0.9
152.07211	6.1
158.06065	1.1
160.01721	0.9
160.04082	1.0
160.06413	1.9
160.07657	0.9
161.02467	3.7
161.04646	1.5
174.05577	2.3
177.01941	2.1
179.03526	1.2
180.06717	1.9
188.07211	3.1
190.05151	2.0
203.52098	0.7
204.52077	0.6
211.08800	1.9
213.10390	9.3
214.12434	0.7
223.08852	1.2
223.12347	0.9
224.09462	0.8
225.10413	4.3
226.11221	1.4
227.11919	2.5
235.08765	2.3
236.09532	1.2
237.10367	3.0
238.07494	1.0
239.11967	7.4
241.13460	5.2
249.06700	0.7
249.10344	3.9
250.07501	2.5
250.11119	1.0
251.08212	4.0
251.11858	3.9
252.09090	2.7
253.09848	4.6
253.13557	0.7
254.10649	0.9
255.02994	1.7
261.10327	1.0
262.07529	2.0
263.08347	4.6
263.10977	0.7
264.09039	3.8
265.09930	5.6
266.10593	1.4
267.11438	5.9
271.02551	2.9
276.09052	1.2
277.09839	8.7
278.07025	3.8
278.10645	6.4
279.07797	7.0
279.11377	8.4
280.08469	0.8
285.12448	10.7
289.09863	1.0
290.10706	1.6
291.07758	2.7
291.11453	1.9
292.08569	3.1
293.09381	12.2
293.12778	1.3
294.10007	3.4
295.10919	7.8
296.11462	2.9
300.02859	3.8
301.03607	2.5
305.09476	3.6
306.10104	1.9
307.10934	7.8
309.12521	2.0
314.12518	2.3
320.08063	0.9
321.08774	3.6
321.12308	1.2
328.10837	1.0
328.14709	0.7
333.08755	1.8
337.08347	3.0
337.12112	1.7
339.05487	0.8
339.09894	4.1
340.14481	1.4
342.12646	0.9
343.13379	1.0
344.14230	0.8
351.09882	2.2
355.13248	1.0
356.14001	2.1
357.15140	1.2
358.15628	2.7
368.14090	0.7
369.14832	1.0
370.11771	1.5
370.15637	2.4
372.17392	1.3
382.15906	1.2
384.13281	3.5
385.13977	1.3
396.13504	1.8
397.14221	1.1
398.14581	3.4
400.16647	8.4
410.14844	1.5
412.16592	4.4
413.17450	0.9
414.18268	1.0
424.16745	1.9
425.17459	1.3
426.14548	0.9
442.17673	2.1
444.15121	1.0
458.17401	1.8
468.15762	1.6
486.16397	3.2
502.16150	0.9
547.23071	1.3
559.19598	0.8
592.22839	1.7
609.14551	4.9
610.15173	1.0
620.22766	0.8
639.27966	0.7
646.24030	1.1
647.24811	1.5
648.23785	0.8
651.24091	0.9
662.23334	1.9
663.24054	0.9
665.26654	1.1
678.27356	0.8
680.24799	6.1
683.27545	6.1
690.23138	2.9
691.23395	3.6
708.24133	29.7
709.23853	2.3
715.29816	4.0
722.25568	6.5
723.26910	1.7
727.30011	1.0
740.27026	2.0
754.28308	12.2
755.29431	1.3
757.30756	0.8
769.30884	10.4
771.29059	0.8
785.29987	1.3
801.34143	1.9
803.31134	2.0
813.30029	68.5
814.30176	5.4
817.33026	1.2
845.32605	100.0
846.32739	9.8
877.35364	11.4
878.34650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23363	8.8
71.01390	14.0
72.99325	2.7
73.02964	19.9
80.05045	2.4
83.01391	4.2
85.02953	5.0
89.02451	5.5
96.96026	2.9
101.02480	10.7
106.06624	6.2
113.02482	5.1
119.03503	2.2
121.05350	2.1
122.06161	9.0
132.04558	2.3
133.02927	5.9
134.03809	3.2
134.06129	23.8
135.04597	8.8
142.97699	1.8
146.06088	3.6
150.03209	3.1
152.07173	5.7
160.01674	6.5
161.02425	8.9
161.31136	1.7
175.04045	8.6
179.03511	5.5
188.07213	3.9
205.64313	1.8
211.08820	2.1
213.10320	5.2
225.10408	4.8
227.11816	2.7
235.08794	3.2
237.10338	4.5
239.11896	3.5
241.13506	2.1
249.10284	5.7
250.07501	6.1
251.08263	4.4
251.11905	3.4
252.08949	1.8
253.09914	5.0
263.08258	3.8
264.08960	3.1
265.09827	8.1
267.11383	6.4
276.09222	2.3
277.09839	7.8
278.06998	6.2
278.10416	3.2
279.07773	10.0
279.11349	7.0
285.12540	7.4
291.07895	3.0
291.11218	3.0
292.08627	4.0
293.09360	26.7
294.10156	8.8
295.11005	8.9
296.11526	2.4
305.09335	2.7
306.10162	3.6
307.10980	6.1
309.12473	4.8
314.12582	4.2
321.08826	3.3
321.12521	2.6
337.08890	10.5
339.09952	4.3
351.09842	3.6
353.11563	1.9
358.15833	3.0
384.13229	2.4
400.16678	2.9
414.18069	2.1
428.43973	2.2
442.17542	2.8
458.17145	2.6
535.20245	2.4
615.65839	2.0
663.24738	2.5
678.26752	4.0
680.25238	4.7
683.26941	2.0
690.22974	3.7
708.24243	36.6
709.23901	2.5
722.25854	21.2
740.26758	4.1
754.28284	47.1
755.28766	5.0
813.30011	46.5
814.31042	3.4
845.32587	100.0
846.32410	6.4
877.35468	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	921.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44342	3.4
69.51503	3.0
71.01402	11.5
73.72349	2.6
82.95432	29.0
85.00448	4.6
89.02438	10.9
92.13558	3.1
96.96031	3.8
101.02466	5.5
113.02467	7.9
116.92970	4.1
119.03519	3.2
119.36319	3.1
125.02433	6.5
161.04594	6.3
179.05630	6.7
192.27679	2.9
209.11865	100.0
211.83627	3.0
227.12943	22.1
229.60760	4.3
235.08186	4.5
277.21765	49.4
280.00671	3.8
329.59467	3.1
379.12460	9.7
397.13480	50.8
415.14716	13.4
589.24890	7.4
607.25922	7.2
921.46606	29.7
921.87573	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	921.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93661	3.0
71.01390	10.4
82.95410	7.6
85.00439	5.3
85.02921	3.9
89.02453	13.7
101.02465	10.0
102.38982	3.7
113.02465	6.1
119.03505	6.0
123.87284	3.6
125.02425	3.9
135.04588	3.5
143.03523	3.0
157.61905	3.9
208.52042	3.4
209.11859	100.0
227.12953	30.6
235.08159	4.8
237.91736	3.1
273.72275	3.4
277.21759	52.2
285.66888	3.1
297.80978	3.5
379.12509	12.5
380.77310	4.0
397.08649	5.7
397.13562	76.6
415.14719	16.2
531.41864	3.5
589.25629	4.5
607.26300	6.1
657.34613	4.5
675.35779	7.1
761.36707	3.3
921.46704	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06635	2.1
72.99315	11.1
84.03533	1.3
89.41879	1.2
93.03475	1.7
96.96029	2.0
107.01419	1.8
108.02206	3.3
109.02966	77.6
121.02956	3.9
123.04506	4.2
124.01701	4.6
125.02493	2.3
135.04547	12.8
145.02972	4.8
147.04535	4.8
149.02441	3.8
151.03986	2.3
157.02979	4.1
159.04533	11.3
161.02457	4.6
163.04074	2.4
167.03497	2.7
167.04961	1.6
173.02455	8.8
175.04008	4.6
179.03532	7.1
181.06578	2.8
182.07292	1.4
185.02454	58.9
186.03262	11.9
187.03987	1.9
191.03508	2.9
193.06659	3.8
195.04480	2.1
196.05266	1.3
197.04536	3.3
197.06155	3.7
199.04109	3.1
203.03616	3.3
208.05348	2.6
209.06131	9.7
210.06860	1.8
211.04004	3.0
213.05489	2.2
215.03552	2.2
219.04507	2.3
221.06050	5.1
223.04019	2.3
224.04788	4.0
225.05585	9.0
227.03575	2.8
237.05612	9.5
239.07143	2.9
240.04298	2.1
241.01514	7.6
241.05135	2.6
247.04102	2.7
248.04822	2.5
249.05577	12.2
250.05980	1.5
251.03537	6.3
252.04300	4.5
253.05116	9.9
254.05945	2.7
255.02963	4.7
255.06674	3.3
257.01099	3.1
264.04276	2.6
265.05002	11.9
266.02066	2.1
266.05670	2.1
267.03195	2.6
267.06631	9.3
268.04016	2.4
269.04559	6.1
269.08224	5.6
270.05322	2.1
270.91812	1.4
271.02505	2.1
275.03485	2.2
276.04196	3.7
277.05072	18.1
278.05765	2.1
279.03024	19.0
280.03802	12.6
281.04468	7.5
282.05252	4.4
283.06107	6.2
283.99585	2.0
284.03320	1.8
285.00497	9.0
285.07730	1.7
291.03113	2.2
292.03882	1.8
293.04608	16.2
294.05203	3.1
295.06152	68.1
296.06314	2.6
297.04251	8.1
298.04712	3.4
299.01962	4.8
299.05396	2.7
300.02771	12.5
301.07382	6.7
301.10324	1.7
303.02887	2.1
309.04086	10.5
311.02188	2.2
311.05585	11.8
313.07169	9.7
314.04364	7.8
315.05212	13.5
319.02478	2.9
321.04083	93.4
322.04404	6.7
327.05206	11.9
329.06720	13.6
337.03650	1.7
339.05115	82.4
340.05533	5.7
341.06631	27.9
343.04578	2.5
349.10461	1.4
357.06317	7.1
359.07651	3.7
365.06696	18.0
371.03973	7.1
375.06943	2.0
385.05725	9.8
387.07065	1.9
403.06723	100.0
404.07306	2.1
405.08389	6.3
407.39099	1.5
493.11389	7.8
519.09277	32.0
520.09717	2.5
655.89264	1.5
725.11768	3.2
743.12994	2.7
769.74518	1.5
844.72742	1.6
923.17468	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	924.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31307	2.3
72.99313	3.8
96.96024	0.9
98.22725	0.7
108.02191	1.1
109.02960	29.4
110.03308	0.5
113.03977	0.6
121.02976	1.3
123.04555	1.4
124.01681	3.3
125.02451	1.2
134.03786	0.8
135.04538	5.8
137.02452	1.8
139.04025	0.8
145.02989	1.0
147.04541	1.7
148.04056	0.7
149.02457	1.1
152.17746	0.4
153.39191	0.5
157.02971	1.4
158.03726	0.7
159.04527	2.5
163.00360	0.4
164.01266	0.5
173.02429	2.4
175.04018	1.7
179.03537	1.6
184.01634	0.7
185.02452	19.1
186.03227	5.3
188.03580	0.6
193.06613	1.3
195.04543	0.8
197.04581	2.2
203.03532	1.1
204.05743	0.7
209.06113	1.2
219.04626	1.0
220.05286	0.9
221.06131	2.9
223.03900	0.7
224.04819	0.6
225.05586	2.6
229.01300	0.6
232.05313	0.8
235.03996	0.9
236.04875	1.2
237.05710	2.0
239.07199	1.4
246.36763	0.4
247.04054	1.4
248.04781	2.1
249.05566	7.0
250.02805	0.8
250.06302	0.8
251.03528	5.6
252.04222	2.3
253.05122	0.9
263.03586	1.1
264.04343	1.2
265.05078	6.8
266.05722	0.7
267.06680	3.3
275.03583	0.8
276.04324	1.7
277.05087	13.7
278.05493	0.9
279.02997	15.6
280.03714	4.8
281.04553	0.7
287.08005	1.1
292.03851	0.6
293.04593	12.3
294.05112	1.2
295.06137	20.6
296.06552	1.5
299.05362	0.5
303.03046	2.8
304.03610	0.7
313.06952	0.5
321.04053	100.0
322.04446	4.1
339.05115	27.2
340.05374	2.0
403.06866	2.0
404.10199	6.1
475.10431	0.6
493.11661	1.4
519.09363	54.2
520.09778	2.3
537.10046	0.7
726.14044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	4.6
93.03459	0.8
99.80023	0.6
108.02182	1.6
109.02966	46.6
110.03297	0.8
121.02939	1.2
123.04508	3.0
133.02977	2.5
135.04543	10.1
137.02524	0.8
145.02946	1.3
147.04567	1.6
149.02464	2.9
151.04022	1.9
157.03038	1.2
159.04517	4.7
161.02467	5.0
163.04013	4.2
173.02449	1.9
179.03513	6.0
181.05118	1.8
185.02458	24.4
185.04105	1.3
186.03232	6.0
197.04572	3.4
208.05356	1.2
209.06093	1.6
211.04105	0.6
221.06053	1.5
223.07666	1.0
224.04842	1.5
225.03766	5.7
225.05731	2.4
236.04921	1.0
239.07086	3.3
248.04750	0.9
249.05579	4.3
250.06303	1.2
251.03453	2.0
251.07060	1.3
252.04341	2.3
253.05089	1.2
266.05826	2.4
267.06671	6.4
269.08264	2.2
276.04129	0.9
277.05057	8.2
279.03046	6.0
280.03772	8.3
293.04733	2.0
295.06158	51.1
296.06464	1.3
313.07275	1.1
321.04132	1.7
339.05112	100.0
340.05533	2.6
362.93704	0.7
387.07364	4.4
493.11435	1.3
537.10327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17146	0.8
69.07069	3.8
72.99316	4.3
84.55895	0.6
84.56445	0.6
106.27097	0.6
107.01428	0.6
108.02172	1.8
109.02962	33.0
119.04961	0.6
121.03000	0.7
123.04510	2.3
124.01628	0.6
133.03011	0.9
134.03720	0.7
135.04543	7.4
137.02464	1.8
145.02940	1.9
147.04550	1.7
147.51492	0.6
149.02473	1.1
151.00443	1.0
151.04039	1.6
157.03069	1.4
159.04521	3.4
161.02461	1.3
173.02425	2.4
174.03149	0.7
175.04062	1.6
179.03554	3.4
185.02449	24.9
186.03203	5.5
193.06627	1.8
197.04625	2.9
203.03470	1.2
205.06564	0.9
209.06119	1.4
211.06178	4.8
212.96111	0.6
213.02019	0.9
219.04486	1.8
220.05260	1.8
221.06131	3.5
224.04871	0.9
225.05573	2.8
229.01427	1.2
231.04510	0.7
235.04018	1.0
237.05533	2.5
239.07098	1.4
247.03949	1.5
248.04755	3.2
249.05571	8.1
250.06090	0.6
251.03496	4.6
251.07095	0.7
252.04201	2.4
253.04939	1.2
263.03384	1.1
264.04324	1.0
265.05042	8.3
266.05887	1.1
267.06628	3.7
275.03598	2.2
276.04462	2.9
277.05066	11.5
278.02448	0.7
278.05649	1.2
278.99991	0.9
279.03030	16.8
280.03778	5.1
293.04596	15.1
294.04968	0.7
295.06128	24.7
296.06409	2.2
303.02936	3.2
304.03735	0.9
319.02493	1.4
321.04062	100.0
322.04282	5.1
339.05127	24.0
340.05447	1.7
407.09885	7.5
493.11340	3.3
493.28244	0.6
505.11227	1.2
519.09357	77.4
520.09589	4.9
531.09412	3.6
537.10437	2.0
549.10614	1.2
634.93024	0.6
703.17279	0.7
729.14667	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	929.065
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12611	0.6
71.42908	0.6
98.21893	1.7
115.02523	6.9
117.00450	7.0
118.00565	0.6
119.00179	1.5
157.03545	2.3
159.01508	90.1
160.01633	10.3
161.01195	8.0
178.95081	0.9
201.02568	34.8
202.02728	5.5
203.02298	4.5
213.33798	0.6
217.00481	1.7
259.01706	3.6
260.01825	0.8
284.48608	0.6
301.02676	100.0
301.99283	0.9
302.02826	30.0
303.02509	32.2
304.02823	0.8
317.00540	1.2
343.03784	5.2
344.03918	1.6
345.03696	2.1
359.01685	1.2
360.02008	1.3
401.02917	3.8
402.03018	1.3
403.02539	2.0
443.03851	16.0
444.04004	7.4
445.03781	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	931.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04000	0.7
69.46087	1.7
69.46494	1.2
71.01379	1.3
72.99297	0.6
81.03471	5.4
83.01391	2.2
93.03446	1.9
95.01398	1.5
95.05044	3.0
97.02947	3.7
99.04529	2.9
101.11962	0.6
102.29962	0.6
105.03465	1.8
107.01383	2.7
108.02184	4.7
109.02964	29.7
111.00885	1.5
111.14139	0.6
117.03439	0.7
119.01423	0.8
119.05020	0.8
120.02179	1.9
121.02970	10.3
123.00894	2.0
123.04568	3.1
124.01675	1.8
125.02460	20.3
132.02144	1.1
133.03000	3.3
134.03755	7.9
135.00865	4.0
135.04541	3.9
137.02457	16.9
138.03256	1.4
139.04027	2.7
143.05043	1.1
145.02943	1.0
147.00928	1.7
147.04526	2.6
148.01649	3.8
149.02457	47.9
149.06090	1.8
150.02753	0.8
151.03972	0.8
159.04532	0.8
160.01657	7.0
161.02437	6.0
163.00365	9.0
163.04019	2.7
164.01173	18.3
165.01952	21.6
166.02721	2.8
167.03513	27.7
167.04871	1.1
170.03755	0.8
171.04521	2.0
173.02411	2.3
174.03169	2.0
175.00266	0.6
175.04024	18.0
176.01213	3.6
176.04805	3.2
177.01947	5.8
178.02606	1.1
179.03525	2.7
185.06006	1.0
187.04030	1.8
189.01888	1.6
189.05602	0.7
190.99910	13.2
191.03511	7.1
191.07094	3.2
192.00665	16.0
193.01428	43.7
193.05064	8.2
194.01740	0.8
195.04422	3.1
197.02429	0.9
197.06158	1.3
198.03250	2.1
199.04015	10.3
201.01952	3.8
203.03571	1.0
207.02962	2.2
207.06743	1.0
210.24310	0.7
211.04045	4.7
212.04825	2.3
213.01945	1.2
213.05539	1.5
214.02806	2.9
215.03479	6.0
216.04323	1.2
217.01399	1.4
217.05057	7.9
219.02963	1.6
223.04044	8.5
225.01979	0.8
226.02708	1.2
227.03510	1.7
228.04369	0.8
229.05031	1.7
233.04570	1.8
235.06143	7.7
238.02730	1.1
239.03525	4.5
240.04321	2.7
241.01407	0.7
241.05093	11.4
242.02200	1.1
243.03011	2.9
255.03087	1.6
256.03818	2.5
257.04562	5.2
259.06088	2.4
265.04898	0.8
265.07388	1.5
267.03003	100.0
268.03391	3.0
281.04660	1.9
283.02502	2.2
284.03290	19.4
285.04071	54.9
286.04343	1.0
290.15964	0.7
295.08231	2.1
299.05444	0.9
303.05130	12.1
309.04053	6.0
323.07886	0.9
327.05026	1.0
329.08792	1.7
337.09332	3.6
351.04980	1.2
355.06607	1.3
355.10434	1.2
359.07571	0.9
366.14880	0.8
379.06775	2.3
413.10831	1.0
439.08997	5.9
447.09152	1.4
465.10931	0.8
471.09506	4.2
489.10287	3.9
505.13528	6.2
507.11407	1.0
515.11865	7.6
523.12665	1.9
531.11462	50.6
532.11768	2.1
549.12573	22.2
549.21057	1.3
550.12244	0.8
563.14551	0.7
573.12207	0.7
591.11432	0.9
607.14661	0.8
623.14050	25.0
624.14362	0.9
641.15100	18.1
642.15839	0.9
665.15363	1.4
711.17914	1.7
717.16541	2.9
777.18964	6.2
827.20142	1.9
845.21686	1.1
845.37390	0.6
887.22607	9.0
958.72339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	0.5
69.03481	0.7
71.01392	2.3
71.05029	0.9
77.03989	0.8
83.01405	1.6
89.02447	1.7
93.03480	1.9
95.01413	1.0
95.05036	0.5
97.02956	4.6
101.02455	1.0
108.02180	1.1
109.02979	1.1
113.02457	1.1
117.03468	5.5
119.05045	23.3
120.05415	0.5
121.02980	5.1
123.04533	1.9
132.05833	1.0
133.02989	0.6
133.06618	5.6
135.04506	1.3
137.02463	21.4
139.04024	13.5
145.02966	27.4
147.04451	0.5
149.02440	1.1
152.01199	1.5
159.04550	1.0
161.02441	2.5
161.04808	0.3
161.06104	13.4
163.00380	7.3
163.04022	24.3
164.01167	3.4
165.01949	100.0
166.02324	1.1
167.03535	4.0
170.42683	0.4
175.04190	0.6
176.01189	0.5
177.01942	0.5
177.05533	3.8
179.03520	2.0
187.04010	1.7
189.01996	2.6
191.03513	1.3
192.00711	0.9
197.04565	1.0
203.03563	0.6
205.05078	14.1
205.07027	0.8
207.03014	4.1
209.00935	3.4
209.04532	0.9
217.05038	0.6
219.02904	0.6
231.02940	0.6
232.32230	0.5
235.06143	11.6
255.03125	1.1
256.03903	0.6
257.04520	1.2
265.07196	27.6
266.07556	0.7
299.02054	0.9
300.02808	2.8
307.08319	2.4
313.07132	0.6
314.04236	1.0
315.05096	7.6
316.22482	0.5
325.09302	9.6
351.07196	2.0
387.09586	0.5
393.08640	0.6
395.09875	2.1
411.09308	9.4
415.10443	1.1
429.10443	16.6
437.07352	2.0
453.10590	2.7
475.12711	1.0
501.10526	0.7
552.47107	0.6
561.12543	48.7
562.12982	1.6
579.13281	0.6
603.13586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.6
69.03478	0.6
71.01385	3.0
71.05022	0.9
71.42770	0.4
72.99323	0.6
73.02948	0.9
75.44947	0.4
77.03979	0.8
83.01399	1.5
85.02961	0.5
89.02468	1.6
91.01904	0.5
93.03471	2.2
93.21887	0.4
95.01381	1.0
95.05016	0.5
96.96024	0.6
97.02962	4.7
101.02447	1.5
107.01425	0.4
108.02190	1.3
109.02979	1.4
113.02451	1.2
117.03475	6.0
118.04225	1.0
119.05037	31.5
120.02155	0.4
120.05339	0.6
121.02967	7.8
123.04566	1.9
125.02428	0.4
131.05035	0.6
132.05829	1.5
133.02956	0.7
133.06609	7.9
135.00935	0.8
135.04526	1.1
137.02458	22.0
139.04025	12.5
145.02968	34.6
145.36702	0.4
146.03337	0.7
147.04469	1.0
149.02481	0.6
151.04034	0.4
152.01190	1.3
152.88954	0.4
159.04494	1.1
161.02518	2.6
161.06102	17.1
163.00401	7.6
163.04022	33.4
164.01154	3.9
164.04462	0.4
165.01945	100.0
166.02370	0.9
167.03505	3.9
170.94435	0.5
175.04010	0.9
177.01927	1.6
177.05588	3.3
178.02530	0.5
179.03535	1.5
187.04051	2.6
189.01982	3.7
191.03529	1.5
191.07187	0.5
192.00647	0.6
193.05052	0.8
205.05063	18.0
207.03030	5.1
209.00970	3.4
209.04654	1.0
217.05058	0.5
219.03061	0.9
227.03445	0.5
231.02966	0.7
231.56096	0.4
235.06133	14.6
235.08534	0.7
255.02806	0.6
265.07190	35.5
266.07434	0.5
291.05170	0.5
300.02686	1.5
307.08310	2.5
313.07208	1.8
314.04211	0.9
315.05130	5.5
325.09311	10.1
351.07245	1.9
353.09180	0.4
355.08212	0.4
357.06186	0.5
385.09152	1.2
393.08554	0.7
395.10001	2.7
411.09344	10.5
415.10266	3.7
422.65070	0.5
429.10373	16.0
437.07043	2.3
453.10345	3.1
475.12460	1.3
501.10602	0.7
519.11871	0.8
561.12561	48.7
562.12561	1.9
572.15851	0.4
579.13489	0.5
603.13605	1.8
816.15662	0.5
901.82239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.361
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	25.9
72.99300	2.5
73.02961	2.7
79.05515	1.3
81.03465	0.9
81.25519	0.7
83.01397	5.4
83.05077	0.8
85.02956	7.3
87.00877	1.1
89.02452	15.9
93.03461	1.3
95.01397	2.1
95.05043	2.4
96.96014	6.6
98.21864	1.3
99.04523	2.1
99.90724	0.8
101.02464	11.8
107.05047	3.3
108.02182	1.5
109.02956	2.7
111.00906	0.7
111.04507	1.0
113.02462	9.1
119.03495	6.2
119.05042	0.8
120.05852	2.2
121.03001	2.3
121.06589	0.8
121.17429	0.8
122.03769	1.8
123.04549	1.7
125.02408	1.2
131.03558	1.0
133.02966	2.8
134.03740	1.8
135.04553	5.2
136.01674	75.1
137.02437	2.6
143.85437	0.7
149.06097	1.4
151.04024	89.9
151.87309	0.8
155.01711	1.0
157.06584	1.9
159.04494	1.3
160.01654	2.3
160.05336	1.5
161.02463	3.2
161.04581	1.8
161.09732	2.0
161.13373	8.5
162.03268	1.2
169.10268	1.1
171.08136	1.1
172.08754	0.9
175.03963	3.9
176.04752	1.4
177.05647	1.7
179.03500	1.7
179.05612	2.1
185.09767	1.3
187.11296	35.3
189.05534	1.4
190.06377	0.8
191.07149	2.5
193.05042	1.3
205.12349	10.5
213.09221	1.0
229.01781	2.1
229.12358	4.6
231.10246	4.3
245.11710	0.9
247.13371	1.0
249.11337	4.7
267.06570	0.8
271.13367	0.9
273.11426	1.8
291.12476	1.5
291.21246	0.9
294.09113	1.1
299.03198	0.7
311.12799	1.4
312.10110	2.7
315.12466	2.5
317.21298	1.3
327.12381	16.7
333.13562	1.3
342.11194	5.3
343.11960	3.6
349.16510	7.5
357.13474	100.0
358.13791	1.5
391.05020	1.3
393.15649	7.5
411.16815	2.1
519.18939	1.8
707.31183	1.8
725.34320	3.2
728.80023	0.9
751.29773	47.9
752.29999	2.9
752.97253	0.8
931.36108	20.9
932.36548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64120	1.7
72.99309	4.5
73.10604	0.6
96.96028	2.4
98.22582	1.0
108.02158	2.1
109.02962	62.1
109.88988	0.6
117.03455	0.7
121.02987	1.7
123.04539	2.6
134.03728	0.7
135.04543	12.0
145.02997	3.1
147.04529	3.2
157.02969	4.3
158.03764	1.9
159.04533	11.0
161.19695	0.7
173.02473	6.8
174.03223	0.7
175.04018	3.9
179.03516	4.3
185.02454	59.6
186.03232	7.9
187.03902	0.7
197.04614	3.3
203.03548	4.4
207.04581	0.6
218.81691	0.6
221.06056	1.8
225.05544	1.2
237.05426	0.9
239.07281	0.8
249.05659	2.5
251.03407	0.6
251.07182	1.1
252.04228	0.8
253.05081	3.3
263.03397	0.7
265.05112	1.6
267.06659	3.6
269.08258	1.5
277.01776	0.8
277.05093	4.3
279.02966	1.8
280.03650	1.5
293.04608	4.4
295.06143	100.0
296.06479	1.8
297.04062	1.0
313.07220	8.6
321.04065	9.7
325.03467	1.0
339.05173	2.7
351.04977	0.9
367.04471	1.0
395.04013	6.4
493.11429	13.9
517.87408	0.6
519.09100	3.9
537.10297	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	933.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67747	4.8
72.99313	2.7
86.56982	1.2
96.96032	2.8
108.02154	2.4
109.02968	44.7
121.03007	1.5
123.04524	2.9
126.72254	1.1
132.02100	1.2
135.04550	5.7
146.03700	1.7
147.04524	2.0
149.02429	2.0
157.03001	2.4
159.04587	6.1
161.02373	1.7
164.31294	1.1
167.87807	1.2
173.02425	2.0
176.82436	1.2
179.03528	1.6
185.02446	23.5
186.03192	6.1
197.04584	1.8
209.06123	2.3
219.04465	1.9
221.06012	2.6
225.05568	4.0
233.02428	1.5
235.04019	1.5
239.07159	2.2
248.04745	1.3
249.05597	5.2
250.06474	1.4
251.03542	2.6
252.04356	3.1
263.03583	1.2
266.05795	2.2
267.06586	5.9
268.33981	1.3
269.08121	2.3
277.01367	4.0
277.05014	9.5
279.03027	6.3
280.03769	7.4
291.06326	1.5
293.04538	4.5
295.06146	36.5
321.03918	5.5
322.04715	2.4
337.03601	1.3
338.04297	1.2
339.05118	100.0
340.05508	1.6
341.06564	1.4
351.05054	6.9
367.04684	9.4
395.04123	62.9
396.04318	1.7
591.07971	1.6
771.11932	2.2
850.82239	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99311	11.8
96.96033	4.8
98.22703	5.7
107.05023	2.8
109.02965	17.2
111.15389	2.1
121.02987	9.8
123.04523	5.6
130.08759	15.2
133.02948	6.1
134.03769	6.9
135.04544	100.0
140.07150	2.7
144.04565	2.7
147.83086	2.0
159.03346	2.0
161.02449	13.6
164.01814	2.0
176.05360	4.2
179.03510	23.6
181.09859	4.3
185.02356	3.0
197.04582	14.3
218.02884	3.3
225.08923	2.6
251.07181	2.9
260.07098	2.4
271.07556	2.2
277.04977	3.3
292.06363	2.3
292.09894	3.4
295.06015	5.0
297.12357	3.5
308.09351	5.2
313.10205	3.4
318.07977	2.5
320.09344	6.2
321.04044	7.0
331.11096	9.8
334.07022	3.1
339.05362	2.1
359.07416	4.5
364.08252	4.3
375.10257	4.0
389.18585	2.9
477.16766	4.0
509.15735	3.1
521.16223	3.3
527.16870	4.4
539.16437	4.8
555.14520	34.4
573.15417	6.9
701.19775	14.2
735.18256	10.6
753.20203	16.7
809.96790	2.7
899.25867	3.7
933.24023	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	933.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99315	14.2
76.97821	1.7
83.39706	2.0
93.03511	2.2
96.95992	2.7
109.02969	15.8
121.02950	8.0
123.04510	6.0
130.08772	15.4
133.02925	4.1
134.03729	6.5
135.04546	100.0
140.07205	2.6
149.31578	2.0
158.06186	3.2
160.04037	1.8
161.02441	14.1
174.03973	1.9
176.05362	2.9
179.03525	21.4
181.09814	5.2
184.03906	2.1
185.02428	2.4
186.05588	2.0
195.11407	1.9
197.04590	9.4
218.02757	3.7
221.06180	2.2
225.08804	2.6
241.13443	1.8
251.07034	4.0
264.07010	2.2
276.10165	2.7
277.05029	4.5
292.09589	2.5
293.04437	2.0
294.07785	3.6
295.06168	2.9
297.12482	5.9
308.09348	3.6
313.10117	2.4
320.09274	5.7
321.04056	7.6
331.11179	8.2
334.06918	2.5
346.07074	3.2
361.20309	2.3
364.08292	4.3
433.17523	2.1
477.16324	3.9
511.15512	2.3
539.16821	5.1
555.14532	32.2
573.15649	5.7
701.19604	13.6
735.18463	7.7
753.20001	16.0
899.25391	3.7
933.24121	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99311	11.8
96.96033	4.8
98.22703	5.7
107.05023	2.8
109.02965	17.2
111.15389	2.1
121.02987	9.8
123.04523	5.6
130.08759	15.2
133.02948	6.1
134.03769	6.9
135.04544	100.0
140.07150	2.7
144.04565	2.7
147.83086	2.0
159.03346	2.0
161.02449	13.6
164.01814	2.0
176.05360	4.2
179.03510	23.6
181.09859	4.3
185.02356	3.0
197.04582	14.3
218.02884	3.3
225.08923	2.6
251.07181	2.9
260.07098	2.4
271.07556	2.2
277.04977	3.3
292.06363	2.3
292.09894	3.4
295.06015	5.0
297.12357	3.5
308.09351	5.2
313.10205	3.4
318.07977	2.5
320.09344	6.2
321.04044	7.0
331.11096	9.8
334.07022	3.1
339.05362	2.1
359.07416	4.5
364.08252	4.3
375.10257	4.0
389.18585	2.9
477.16766	4.0
509.15735	3.1
521.16223	3.3
527.16870	4.4
539.16437	4.8
555.14520	34.4
573.15417	6.9
701.19775	14.2
735.18256	10.6
753.20203	16.7
809.96790	2.7
899.25867	3.7
933.24023	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	933.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01403	2.6
71.40775	0.9
72.99312	13.7
83.01400	0.9
85.02959	1.0
87.30965	0.7
89.02442	1.7
96.96016	1.6
101.02436	2.0
107.05067	1.7
109.03017	0.9
113.02504	0.9
123.04539	6.1
133.02977	15.0
134.03751	5.3
135.04539	100.0
136.04910	1.1
159.04506	0.8
161.02461	53.3
161.13397	0.9
163.04022	0.9
179.03513	60.2
183.75031	0.8
187.11336	1.5
197.04572	15.8
204.43158	0.7
205.12317	1.5
231.10219	1.1
282.54102	0.8
309.63358	0.8
359.07623	11.7
521.12628	1.2
529.20673	1.5
573.20062	4.2
591.20801	2.6
673.81293	1.0
709.24902	1.1
753.24939	18.1
771.27167	10.7
791.41681	0.8
933.11847	0.7
933.30292	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	933.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.2
72.99293	0.1
79.95746	3.7
85.02974	0.1
93.57798	0.1
96.96024	100.0
101.02475	0.1
106.15426	0.1
131.58725	0.1
133.03011	0.2
134.06134	0.2
135.04549	1.0
145.02940	0.1
154.98022	0.1
161.02457	0.9
179.03548	0.5
197.04668	0.2
297.04111	0.2
310.03668	0.1
349.29828	0.1
359.07675	0.1
477.08530	0.1
479.56018	0.1
553.45605	0.1
702.02435	0.1
712.27606	0.1
757.99304	0.1
771.28876	0.4
803.31592	1.3
835.34595	1.0
933.31799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	3.2
72.99314	10.0
73.59228	0.6
83.01382	1.2
85.02962	0.9
89.02488	1.7
98.22634	1.4
101.02438	1.3
107.05006	1.7
109.02961	0.8
113.02459	1.7
123.04510	3.5
123.95978	0.7
132.02151	1.3
133.02974	23.0
134.03737	4.6
135.04538	69.9
149.06120	1.7
160.01614	0.8
161.02458	100.0
161.13335	1.7
175.04044	1.9
177.05540	2.6
179.03516	46.1
187.11301	2.0
197.04553	13.1
203.03529	2.9
205.12386	0.7
221.04593	1.6
300.28134	0.6
323.07822	1.7
325.24738	0.9
341.08856	1.2
359.07758	24.6
521.13074	0.8
529.20728	1.1
555.18799	2.9
573.21136	3.5
633.21924	0.9
709.25983	3.4
735.25214	15.7
753.24426	15.7
933.30426	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	933.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.2
72.99293	0.1
79.95746	3.7
85.02974	0.1
93.57798	0.1
96.96024	100.0
101.02475	0.1
106.15426	0.1
131.58725	0.1
133.03011	0.2
134.06134	0.2
135.04549	1.0
145.02940	0.1
154.98022	0.1
161.02457	0.9
179.03548	0.5
197.04668	0.2
297.04111	0.2
310.03668	0.1
349.29828	0.1
359.07675	0.1
477.08530	0.1
479.56018	0.1
553.45605	0.1
702.02435	0.1
712.27606	0.1
757.99304	0.1
771.28876	0.4
803.31592	1.3
835.34595	1.0
933.31799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	3.5
71.01392	29.5
72.99318	66.0
73.02956	72.3
74.06371	3.0
81.03467	6.1
83.01401	19.0
85.02959	3.9
85.20718	3.3
89.02472	9.9
93.03446	3.7
95.01366	4.7
96.96035	45.6
99.04532	42.6
101.02463	77.5
107.05029	4.5
109.02964	6.1
112.27110	3.3
113.02449	17.0
113.95609	3.2
119.03501	3.8
121.02971	8.2
122.03751	6.2
123.04521	22.6
125.02461	10.1
131.03557	4.3
133.03003	10.3
134.03703	3.8
134.14127	3.1
135.04544	74.2
142.99608	3.6
143.03534	6.9
147.04543	4.4
149.04591	6.1
151.04050	6.1
161.02481	28.8
161.04594	13.7
161.09750	16.7
161.11276	3.0
163.04083	4.5
165.01953	9.6
165.05536	7.3
179.03511	48.0
184.86990	3.3
197.04562	100.0
198.04947	3.8
221.06679	4.0
313.14423	7.9
317.90671	3.7
328.13397	7.3
343.15479	15.9
359.10086	32.7
361.16605	56.9
362.16873	4.0
379.21326	4.2
403.17569	35.9
443.20911	39.2
505.20978	56.9
506.21490	4.4
591.21063	19.1
771.27356	91.8
772.27631	9.9
933.29962	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	933.6235
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02326	0.8
70.02690	1.0
70.62773	0.5
80.03071	0.4
89.41404	0.4
90.45399	0.4
96.95990	0.6
97.34392	0.5
103.35078	0.4
112.48446	0.4
121.88423	0.4
129.95061	0.4
130.20090	0.5
138.00969	0.4
153.16603	0.4
179.03458	0.6
189.12776	0.6
193.20845	0.5
199.55850	0.4
233.65385	0.5
379.30185	0.6
391.30069	1.3
407.29648	0.6
443.34686	0.5
455.31711	100.0
456.32248	3.0
649.94263	0.5
859.74780	0.5
933.62390	90.7
934.62396	7.2
950.41473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.6963
Annotation	Unknow
Peak:m/z	Relative Intensity
74.73633	2.3
75.61095	2.4
98.22603	7.4
109.55704	2.0
194.02562	2.4
210.99118	1.9
343.48361	2.4
455.35355	100.0
457.65192	2.4
738.71973	2.4
781.46362	2.2
933.69659	86.8
934.69635	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	935.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	1.0
68.99818	4.2
70.65314	1.2
72.99316	14.9
74.88663	1.0
84.99307	1.6
87.00893	11.7
93.03475	1.4
103.33437	1.0
109.02958	0.9
111.00900	2.6
112.98828	20.9
117.03476	4.3
119.05045	42.9
121.02952	3.9
127.00414	1.7
129.03490	2.2
130.99867	3.8
132.02190	1.3
133.02954	1.7
134.03755	27.3
135.04562	3.3
136.01694	1.4
143.05009	2.6
145.02975	26.4
147.04547	18.0
149.06110	10.6
151.00363	1.0
151.04022	1.1
153.05528	1.0
154.99884	2.2
159.04517	1.5
160.01666	8.1
161.02504	6.3
161.06117	4.8
162.03227	9.3
163.04030	15.9
171.04530	1.6
175.04024	27.4
176.04820	2.9
177.05595	4.3
178.02725	3.7
186.03218	1.4
188.77007	1.0
189.05582	3.0
190.02722	7.0
191.07169	3.5
191.56300	0.9
193.05064	13.0
202.02733	3.3
203.03522	51.1
204.04063	2.0
205.05119	8.7
215.03506	9.8
218.02261	2.9
219.06659	3.0
230.02197	3.6
233.04564	43.1
235.06281	1.9
245.04556	3.4
255.02950	1.8
259.02438	4.3
263.05634	2.0
271.02539	5.5
277.03564	100.0
278.03690	1.7
289.03616	3.9
300.02823	10.0
301.03455	4.4
307.04639	94.5
308.05118	1.3
312.29648	1.0
463.08911	15.0
471.09586	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72710	0.5
70.88865	0.7
70.89217	0.8
71.01359	0.7
72.99318	38.1
73.02924	0.7
85.02940	0.9
99.04530	12.2
101.02447	3.6
106.88729	0.6
107.05018	0.6
109.02962	1.1
118.75347	0.6
123.04534	11.9
123.71818	0.6
125.02464	8.6
129.18759	0.7
133.02931	2.5
134.03766	1.5
135.04541	31.9
151.04024	1.6
161.02461	12.1
179.03516	28.0
179.05101	1.0
197.04572	80.6
220.79491	0.6
269.10422	1.5
311.11322	3.0
323.07950	1.8
341.08997	1.2
359.09909	100.0
360.10336	1.6
413.14578	4.9
521.13025	32.7
522.13751	0.7
629.93817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	2.5
79.44306	1.1
94.00819	1.1
96.96003	1.8
100.16804	0.9
106.50713	0.8
108.02171	1.3
109.02962	40.0
121.03010	1.5
123.04475	1.0
131.47441	1.0
133.02888	1.0
135.04533	3.1
145.02943	1.3
147.04524	0.9
149.02440	1.4
159.04524	2.8
161.02472	2.7
173.02467	2.4
179.03435	1.1
183.04501	1.1
185.02441	22.8
186.03152	6.1
209.06123	1.5
224.04796	1.2
225.05557	3.9
239.07109	2.9
248.04768	1.3
249.05528	3.9
250.06216	1.9
252.04335	3.2
266.05734	2.3
267.06595	6.8
269.08304	1.8
277.05066	9.7
279.03058	4.1
280.03760	7.7
293.04605	3.9
294.05322	1.2
295.06137	24.4
296.06464	1.6
313.07330	1.1
321.04071	9.2
326.04456	1.1
339.05099	100.0
340.05316	2.2
371.23587	1.0
372.04489	0.9
376.45813	0.9
505.56158	1.2
812.05670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.5
71.01386	4.2
72.99312	0.5
73.02956	2.4
75.78573	0.3
81.03460	0.5
85.02947	2.3
87.00881	1.0
89.02456	1.1
89.03974	1.1
95.01412	0.6
97.02975	0.5
101.02444	1.7
109.02926	0.9
113.02470	3.9
117.03503	2.3
119.05083	0.7
125.02462	1.2
132.02188	31.8
133.02997	2.0
134.03758	33.7
135.04543	0.8
137.06119	0.6
147.04562	0.5
149.06110	4.3
152.04712	1.0
159.83719	0.4
160.01675	100.0
161.02373	1.8
161.04599	0.7
167.07155	2.4
175.04024	87.7
176.04350	0.9
178.02773	1.1
181.03987	0.4
188.36810	0.4
192.04222	0.4
193.05081	24.7
203.05635	0.4
295.05939	0.6
311.11508	1.2
311.88300	0.4
337.09454	0.8
345.68951	0.4
371.13437	0.8
499.18259	0.5
517.19696	1.8
547.18280	4.6
559.20178	1.5
657.22089	0.8
675.22974	0.8
693.24152	5.9
709.23651	1.1
717.24353	0.7
735.25134	20.9
736.25360	0.7
777.26184	19.9
837.28027	1.0
879.29236	4.4
897.30292	1.4
939.31476	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	939.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	0.6
69.83149	1.6
72.99318	69.8
87.00909	0.8
92.82294	0.5
97.06603	8.1
99.04535	0.8
109.02945	1.4
112.59409	0.6
117.03477	0.6
121.02983	5.8
122.03772	0.6
123.04549	3.5
132.02225	0.7
133.02977	25.4
134.03764	4.4
135.00896	0.9
135.04544	8.5
137.02472	1.1
146.03694	0.7
146.07571	0.5
149.02386	0.7
150.03270	1.3
151.04019	2.2
159.04539	1.7
159.08162	1.4
161.02463	84.8
162.02785	1.4
163.07719	1.8
165.09119	0.6
172.05331	2.3
173.06099	1.8
174.06863	1.1
175.04010	1.4
175.07669	3.2
176.04776	1.6
178.02708	6.9
179.03513	4.9
181.05081	0.7
185.09554	0.7
187.04080	1.0
187.07663	26.8
188.08037	0.9
189.09341	0.7
190.06375	5.9
191.10823	1.1
196.03932	0.7
197.04637	0.9
201.05595	1.2
201.09187	3.3
202.06380	5.2
203.07156	1.1
203.10794	2.3
205.08775	4.6
213.09279	6.2
215.07185	2.3
219.10284	19.4
220.10521	0.6
221.11850	0.8
229.08704	1.2
231.10283	17.1
239.26135	0.6
247.09842	0.9
249.11372	1.8
257.08313	2.7
275.09314	10.4
293.10342	93.8
294.10678	2.4
295.06189	0.6
319.08234	2.2
339.06998	0.7
455.13531	100.0
456.13928	4.6
783.54822	0.8
916.30798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81635	3.5
72.99309	5.2
96.13177	1.0
108.02176	2.8
109.02966	68.4
115.05637	0.9
116.26421	1.1
121.02975	2.2
123.04539	2.0
133.02963	1.2
135.04520	5.5
145.02957	1.7
147.04552	3.1
149.02487	2.0
152.01164	1.5
157.03038	2.0
158.03786	1.6
159.04530	6.8
161.02423	4.4
167.03513	1.1
173.02461	4.7
174.03215	1.0
175.04204	0.8
176.89032	0.8
177.02055	1.0
179.03560	3.5
185.02449	33.2
186.03253	9.7
197.04622	1.3
203.03474	1.3
209.06068	2.2
211.04094	0.9
214.02724	1.1
221.06061	3.4
224.04788	1.2
225.05540	5.1
229.01530	1.5
233.06190	1.1
237.05666	2.0
238.06367	0.9
239.07144	3.2
243.02966	2.1
247.76190	0.9
248.04709	2.0
249.05617	7.3
250.06223	1.4
251.03548	2.5
251.07152	1.4
252.04256	3.9
257.00821	1.0
257.04697	1.2
265.05045	3.9
266.05835	2.7
267.06665	10.7
269.08188	2.2
271.02524	5.4
275.02063	1.0
276.03928	0.9
277.05032	14.1
278.05814	1.1
279.02994	10.0
280.03735	10.5
285.00562	1.3
285.03976	1.3
290.04440	4.3
293.04565	9.1
294.05435	1.6
295.06131	44.9
296.06451	2.6
300.02756	5.4
302.04343	1.2
305.06674	3.3
313.03644	1.3
313.07162	1.2
315.05130	1.8
319.02499	3.4
321.04062	23.9
322.04575	2.2
333.06363	1.0
339.05130	100.0
340.05447	2.0
343.04626	1.7
357.02429	1.2
359.07706	1.3
360.05136	1.2
361.05792	1.5
371.04044	1.3
375.07196	2.1
385.05511	1.5
389.05075	1.5
403.06787	4.4
421.07809	7.1
519.09241	5.0
683.10077	1.4
717.14270	1.2
725.11584	3.4
743.12677	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	941.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02054	4.5
72.99310	4.2
79.93118	1.5
84.02668	1.8
91.60130	1.5
96.96054	2.4
108.02171	3.3
109.02962	62.3
121.02926	1.7
123.04546	2.9
135.04529	4.1
145.02957	2.1
147.04517	3.8
149.02408	3.0
155.80301	1.6
157.03001	2.3
159.04494	6.1
161.02420	3.5
173.02422	1.9
179.03506	3.8
183.63866	1.4
185.02454	35.8
186.03256	7.4
197.04549	1.9
209.06152	3.4
221.06090	3.0
225.05562	5.4
239.07254	2.7
248.04694	2.1
249.05557	9.9
251.03513	5.2
252.04320	4.8
264.04227	1.9
265.05096	5.2
267.06622	8.9
277.05045	16.2
279.02936	13.2
280.03793	11.1
293.04517	11.5
294.05099	2.0
295.06165	48.8
295.50415	1.7
296.06512	2.2
319.02463	2.7
321.04056	51.2
322.04330	2.2
339.05096	100.0
340.05432	3.7
403.10519	2.9
489.74426	1.8
494.83450	1.6
519.09509	17.9
545.10797	2.5
573.80945	1.6
670.39642	1.6
743.16571	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	941.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40936	0.9
71.91317	0.7
72.99316	70.7
87.00938	0.6
97.06604	6.1
97.45977	0.6
109.02959	1.0
118.95277	0.6
121.02964	5.9
122.03761	1.5
123.04536	4.6
132.02173	1.1
133.02980	22.2
134.03780	4.7
135.04546	16.4
137.02438	3.5
141.53842	0.7
146.03821	1.2
149.02438	2.5
149.06111	1.2
150.03264	2.4
151.04066	3.1
159.04515	1.2
159.08255	0.9
161.02464	86.3
162.02936	1.4
162.06924	0.7
163.04001	0.9
163.07637	1.1
163.74551	0.6
172.05258	2.5
173.06091	2.2
174.06772	1.0
175.04030	1.2
175.07681	2.9
176.04764	1.9
177.01959	7.3
178.02728	6.9
179.03528	15.5
181.05144	0.7
187.04071	1.2
187.07666	24.6
190.06372	5.2
191.10835	1.2
193.01425	1.0
194.02255	1.8
201.05585	0.7
201.09233	2.2
202.06345	4.1
203.07080	2.0
203.10831	2.2
205.08690	4.0
208.03773	4.2
209.04587	5.2
213.09212	5.3
215.07127	1.7
219.10281	22.0
221.11946	0.9
231.10291	15.2
233.08899	0.7
247.09766	1.3
249.11273	1.0
257.08221	0.9
275.09317	11.0
293.10345	100.0
294.10596	2.7
319.08200	2.6
323.11325	1.8
323.23691	0.7
344.09171	1.5
388.08179	3.7
455.13513	88.3
456.13763	2.4
457.13736	0.8
485.14825	1.4
694.77917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
68.43675	0.7
68.44884	0.9
71.41273	0.8
72.99321	5.1
80.05109	0.7
96.96030	3.1
108.02211	1.0
109.02965	32.3
112.58972	0.7
121.02979	3.3
123.04535	3.3
133.02969	1.3
134.03740	0.9
135.04539	6.2
137.02454	2.4
141.03404	0.8
144.04074	0.8
145.02953	1.0
147.04568	1.4
149.02466	1.4
151.04021	2.1
157.02959	1.5
159.04495	3.2
161.02457	2.2
173.02437	2.2
175.04037	0.9
179.03496	4.0
181.05130	1.5
185.02444	26.5
186.03206	5.3
193.06622	2.6
195.04553	0.9
197.04582	2.0
209.06186	1.5
220.05273	1.6
221.06133	4.7
223.04005	1.6
225.05641	1.7
232.05440	1.4
237.05544	3.0
239.07156	1.8
247.03975	2.1
248.04779	4.2
249.05623	9.8
251.03525	5.5
252.04321	3.0
253.05150	1.6
264.04181	1.5
265.05103	8.2
266.05771	1.5
267.06601	4.8
275.03418	2.3
276.04160	2.0
277.05066	14.9
279.03015	22.2
280.03726	4.7
282.05457	1.1
292.03662	1.1
293.04541	14.1
294.05106	1.2
295.06158	26.0
303.02985	2.1
303.06412	0.7
319.02374	1.2
321.04065	100.0
322.04520	2.5
339.05106	28.0
340.05441	1.3
344.05289	2.5
359.07834	1.0
368.73077	0.8
391.10449	8.0
423.13043	5.6
493.11163	1.1
519.09387	33.5
520.09613	1.3
547.12708	2.8
565.13409	1.6
617.25592	0.9
713.15186	5.8
715.16522	1.6
745.17822	9.9
786.22534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24232	0.9
69.24634	2.5
72.53803	0.4
72.99323	4.1
79.64793	0.5
96.96050	1.0
98.22631	0.9
108.02171	1.6
109.02969	27.9
116.56445	0.6
121.02980	1.8
123.04554	1.8
134.03815	0.6
135.04536	7.0
137.02480	0.8
138.62021	0.5
145.02992	1.6
147.04553	1.3
149.02448	0.8
151.04102	0.9
157.02974	1.4
159.04541	2.4
173.02423	2.8
174.03256	1.0
175.04044	0.7
179.03516	2.2
185.02449	21.3
186.03210	5.4
193.06590	1.9
197.04593	1.8
203.05107	0.6
204.05904	0.7
209.06108	1.4
213.05788	0.7
219.04562	0.6
220.05333	1.3
221.06073	3.8
223.04045	1.4
224.04781	0.7
225.05627	1.6
232.05385	1.0
233.06122	0.6
235.04109	1.0
237.05661	1.9
239.07117	2.0
247.04001	2.4
248.04868	3.0
249.05574	7.6
250.02638	0.6
250.06299	0.7
251.03563	5.4
252.04245	2.4
253.01524	0.5
253.05060	0.8
260.04837	0.6
264.04559	1.4
265.05075	8.6
266.05887	0.7
267.06625	4.3
275.03528	1.2
276.04361	1.9
277.05109	11.5
279.03021	17.4
280.03879	4.9
292.03787	1.4
293.04639	12.4
294.05487	1.3
295.06140	20.4
303.02991	2.4
313.07169	0.7
319.02554	1.2
320.03070	0.9
321.04068	100.0
322.04568	2.4
339.05115	24.8
340.05402	0.7
387.73856	0.6
391.10229	1.0
475.10397	0.8
493.11246	1.9
515.09827	1.0
519.09381	67.1
520.09778	2.3
537.10510	1.6
580.71423	0.5
713.15271	1.3
745.18585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06419	0.9
69.03915	5.9
72.99313	3.7
84.26248	1.0
96.08227	1.0
96.96022	5.1
98.22679	2.5
104.89117	1.0
109.02962	35.7
121.02960	1.1
123.04537	3.1
133.42587	0.9
135.04543	8.8
149.02432	0.9
159.04517	2.8
161.02460	3.7
173.02461	2.2
175.04051	1.1
179.03575	4.9
185.02441	25.3
186.03256	6.0
191.47127	1.0
193.06575	1.9
193.40186	0.9
197.04659	2.8
203.03542	1.3
209.06126	1.9
220.05290	1.5
221.06111	3.4
223.03879	1.1
225.05592	1.9
237.05615	1.5
247.04056	2.0
248.04796	3.2
249.05530	7.9
250.02684	1.0
251.03519	5.8
252.04329	2.8
264.04276	1.3
265.05045	7.6
267.06625	4.6
275.03598	1.8
276.04349	1.9
277.05115	15.3
278.05643	1.9
279.03015	12.7
280.03592	4.9
293.04584	13.6
295.06146	24.4
296.05954	1.1
303.03018	3.3
308.39703	1.0
321.04062	100.0
322.04446	3.5
339.05112	26.3
340.05356	2.7
373.05670	1.7
493.11618	2.2
501.54144	1.0
519.09393	82.4
520.09766	3.3
537.10260	2.9
695.10352	1.8
948.53540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23147	5.9
69.23563	10.3
72.99317	17.5
96.96007	3.8
108.02194	5.4
109.02969	38.7
117.03503	2.6
121.02950	3.1
123.04544	12.9
126.90961	2.9
129.87349	2.6
133.93712	2.4
134.03676	3.8
135.04539	43.3
137.02457	3.9
145.02965	39.6
149.02417	3.1
150.03252	3.1
157.02975	6.0
159.04469	5.3
161.02362	3.0
163.00398	7.4
164.01096	4.4
165.01915	4.8
173.02434	10.0
174.03220	2.9
175.04054	3.6
179.03511	16.0
180.04214	6.7
185.02475	61.1
186.03204	11.7
187.04001	3.6
191.40738	2.5
193.06638	3.9
195.04692	2.8
197.04578	10.3
211.04019	5.3
213.02007	20.7
219.04515	11.4
220.05235	2.8
221.06068	7.8
227.03510	3.9
229.01379	2.9
235.03975	9.4
236.04794	5.1
237.05615	11.6
239.03366	3.4
247.04051	23.9
248.04707	13.9
249.05586	12.7
250.06258	3.4
251.03468	9.9
252.04373	4.1
255.02943	3.9
256.03824	3.1
263.03445	13.6
264.04205	13.5
265.05075	38.6
266.05783	5.7
267.06644	9.4
275.03528	20.8
276.04254	7.4
277.05002	13.5
279.03027	25.9
280.03751	4.8
291.02957	16.9
292.03867	13.0
293.04608	78.1
294.05316	31.9
295.06082	26.2
303.02911	5.4
318.02127	3.2
319.02499	41.4
320.03250	49.5
321.03958	37.7
322.04648	7.2
339.05057	33.6
369.07639	6.2
395.05441	3.5
396.06503	8.5
397.07281	6.1
416.08905	3.9
423.05130	9.0
425.06952	2.8
442.06848	11.5
457.09171	4.4
468.04846	9.2
474.09167	2.9
483.07150	4.8
489.11996	27.5
515.09955	68.2
516.10248	3.6
518.08917	3.0
519.09277	20.6
520.09760	3.9
521.14673	24.0
533.10730	15.1
547.12482	81.8
565.13318	12.5
669.16370	3.7
681.12042	5.5
687.17188	7.0
713.15161	100.0
714.15735	3.8
719.19025	5.2
721.25043	3.2
745.17529	25.2
763.18878	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	943.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93423	7.1
72.99313	16.1
75.58210	2.4
88.89448	2.6
90.86832	2.4
92.37763	2.9
109.02961	39.4
121.02983	16.1
123.04532	10.7
133.02959	15.3
134.03676	3.5
135.03511	3.5
135.04543	71.7
147.04555	4.7
151.04005	6.6
159.04515	8.6
161.02466	20.2
169.76466	2.6
173.02414	13.1
177.01973	4.1
179.03502	57.2
185.02458	17.3
186.03261	3.6
197.04636	10.2
203.03558	3.7
213.05362	3.3
221.04449	3.7
223.07748	2.5
225.05875	2.7
239.07314	2.9
249.05457	3.0
251.07280	3.2
267.06522	3.7
269.08118	8.2
277.05228	4.1
295.06158	100.0
296.06598	3.3
313.07248	12.7
330.92178	2.7
357.06168	15.0
359.07706	7.9
387.16626	7.3
412.07770	2.6
493.11520	36.8
514.47003	2.9
529.11810	2.8
537.10468	32.2
933.20355	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	943.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	1.9
72.80051	1.0
72.99329	1.2
74.89391	1.0
91.05569	0.9
93.03474	1.1
96.96059	1.1
97.57915	1.1
119.05042	100.0
121.02963	1.8
133.02980	3.1
135.04517	3.7
147.04530	1.0
149.02466	12.4
161.02452	4.0
161.13268	1.0
163.04033	86.2
164.04803	7.8
175.00392	1.7
177.01952	1.4
177.05621	2.5
179.03564	1.6
179.07106	1.7
187.11304	2.7
190.02751	7.7
191.03510	2.8
205.05167	6.0
206.05894	4.5
207.03033	2.2
208.03877	2.1
221.08209	6.2
223.06178	11.1
237.07675	1.6
244.78726	1.2
250.04823	1.2
265.07178	13.8
292.06747	1.1
295.08282	4.3
325.09268	10.3
385.11478	2.8
423.29718	1.1
495.23102	1.1
513.21039	5.4
557.20270	9.1
562.37054	1.3
943.32428	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	945.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42511	1.2
72.99319	11.6
93.03471	2.9
105.03481	2.4
107.05032	1.6
108.02199	1.4
109.02962	14.4
117.03461	1.2
121.02975	19.8
123.04552	8.5
133.02975	12.3
134.03737	2.9
135.04536	68.0
135.66649	1.2
145.02963	4.0
147.04532	5.0
149.02473	1.5
151.04037	6.9
159.04494	6.8
161.02475	23.8
173.02448	14.6
177.01965	4.6
179.03520	53.2
185.02463	3.1
186.03293	1.7
189.88982	1.0
197.04514	8.9
209.06068	1.0
219.77202	1.2
221.04523	3.3
223.07669	2.2
225.05630	1.6
249.05611	2.4
251.07181	3.8
267.06525	5.9
269.08200	8.9
277.02496	1.3
277.05154	4.7
295.06140	100.0
296.06482	3.7
313.07111	10.8
313.09579	1.0
357.06165	15.1
359.07700	6.6
459.76968	1.2
493.11499	30.6
494.11600	2.2
536.92566	1.4
537.10468	38.5
538.10797	2.8
951.18085	1.4
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
69.18392	42.2
75.14051	45.8
81.59034	41.8
86.14243	48.8
98.21812	90.0
116.92876	100.0
158.12242	48.3
229.16678	44.3
243.55269	40.9
333.14023	52.7
402.80569	54.8
865.39850	53.7
881.21240	57.5
886.49591	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83846	0.7
69.09576	3.3
69.09981	1.6
71.01388	2.0
71.05036	3.5
73.02967	1.0
77.03969	1.2
83.01397	1.8
85.02961	1.1
89.02464	1.1
93.03466	1.0
95.01358	1.1
95.05053	1.3
97.02963	8.7
98.21879	1.4
101.02458	0.8
108.02170	1.2
109.02966	9.7
113.02488	1.4
117.03510	0.9
121.02985	6.3
123.04552	1.8
132.02173	1.6
133.02982	2.2
134.03758	17.1
135.04556	3.7
137.02461	25.7
139.04030	45.9
145.02977	0.9
147.04536	3.0
148.05290	1.6
149.02483	1.7
149.06107	5.3
151.04013	1.0
152.01154	0.7
153.01959	29.5
160.01675	10.0
161.02502	3.5
163.00357	3.6
163.03966	4.7
164.01181	1.8
165.01952	89.5
166.02284	0.9
173.02438	0.8
173.06145	0.8
175.04007	13.8
176.04829	6.7
177.02003	1.5
178.02740	3.0
179.03561	1.2
181.05174	1.0
183.03008	2.3
189.01950	2.7
191.03546	1.0
191.07138	9.0
192.04173	0.9
193.05078	21.0
195.03003	2.2
205.04991	1.3
207.02992	2.6
207.06631	2.1
209.00917	0.8
217.05037	1.1
220.03770	1.6
235.06123	21.4
265.07214	11.4
295.08270	14.8
325.09387	1.5
338.13660	0.7
351.07239	1.8
355.10370	11.9
369.08246	0.9
381.07919	1.1
387.09515	1.2
399.09406	1.7
411.09393	5.5
429.10428	100.0
430.10794	2.7
491.11703	3.2
547.11139	5.8
565.11664	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	947.262
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	1.0
69.54161	1.2
71.01393	1.3
72.99316	71.6
80.25110	0.5
87.00884	1.0
89.02465	0.5
91.01912	2.2
93.03479	0.5
97.06599	6.4
97.89003	0.5
98.21816	0.6
105.03508	0.7
109.02962	2.0
112.98871	0.6
121.02979	5.6
122.03738	1.2
123.04542	4.5
132.02200	0.8
133.02979	24.9
134.03789	5.3
135.00893	3.1
135.04552	7.4
137.02496	1.6
146.03763	0.6
147.04550	0.8
149.06110	1.0
150.03252	1.9
151.04031	2.3
153.01988	2.6
159.04568	1.4
159.08160	1.9
161.02463	89.7
162.02826	1.1
162.06874	0.6
163.04008	1.1
163.07668	1.3
165.09222	1.2
172.05341	2.3
173.06107	2.2
174.06845	1.4
175.04054	1.1
175.07642	3.1
176.04800	2.1
178.02754	7.7
179.03545	4.7
186.06862	0.8
187.04037	0.9
187.07663	25.8
187.11203	1.2
190.06381	5.8
191.10950	1.0
193.05081	1.6
200.04848	0.6
201.05702	1.0
201.09218	3.0
202.06360	5.9
203.07082	0.7
203.10771	1.8
204.07942	0.8
205.08727	4.7
213.09253	7.8
215.07155	2.2
218.05927	0.6
219.10277	22.6
229.08731	1.0
231.06723	0.9
231.10286	15.8
247.09811	1.5
249.11345	2.1
257.08273	1.8
275.09277	11.9
276.09464	0.5
293.10342	100.0
294.10678	2.5
307.04590	0.9
319.08221	1.7
339.07141	2.7
343.11804	0.7
455.13525	74.6
456.13803	2.6
767.29681	1.4
947.36249	0.9
960.00275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
96.45570	63.2
96.95985	63.4
209.11559	74.0
632.90497	77.6
892.52930	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	949.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	5.0
72.99331	6.9
79.95729	5.7
80.18452	3.2
85.02966	3.1
89.02438	5.7
96.96023	84.1
97.91835	3.6
98.95605	26.3
98.96479	4.2
99.92591	4.4
102.96456	3.8
106.23349	3.2
116.92887	8.1
117.03528	19.1
119.05087	19.4
119.05824	4.3
122.06131	4.8
133.02954	9.3
133.06613	7.9
134.03777	5.2
134.06136	18.0
135.04526	16.2
145.02965	53.2
151.04088	3.8
161.02490	30.2
161.06068	8.2
163.04082	10.5
179.03511	5.3
205.05128	8.8
211.08977	3.5
213.10320	6.4
239.11963	6.4
241.13509	6.6
251.11710	5.6
285.12500	12.9
356.13797	4.1
358.15610	6.5
370.15784	4.5
384.13245	7.0
400.16370	7.7
412.16763	4.8
455.13467	6.6
771.29156	8.5
913.09247	4.7
917.32654	100.0
918.31842	7.1
927.18811	4.6
949.34998	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	951.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41061	2.6
72.51955	2.3
72.99318	5.9
86.69378	2.0
96.96027	7.2
108.02234	2.7
109.02965	99.2
118.35658	2.0
118.99599	2.1
121.02910	3.2
123.04536	3.9
124.01678	4.2
133.02982	3.2
135.04552	11.5
141.28140	2.1
144.99855	2.2
145.03017	3.2
147.04538	6.5
157.02936	3.2
159.04568	15.1
161.02452	3.2
167.03540	10.5
173.02419	6.1
175.03983	4.4
176.05185	2.3
179.03493	3.5
185.02458	59.9
186.03223	8.6
187.03925	2.2
197.47159	2.2
203.03442	2.6
209.06013	2.8
211.07596	2.1
221.06067	2.7
223.04068	3.2
225.05559	4.9
233.08589	6.0
239.03485	3.3
245.00887	5.5
249.05763	4.7
250.06514	3.3
251.03491	4.3
253.05081	2.9
263.03485	2.5
265.05124	3.3
266.02185	3.5
266.05905	3.0
267.06656	8.1
269.08151	4.2
277.05142	12.8
278.05734	2.8
279.03009	6.4
280.03778	5.0
293.04474	5.9
295.06125	100.0
298.04828	5.1
313.07135	6.1
321.04074	9.6
325.03503	4.4
326.04102	3.0
327.04941	2.5
339.05133	57.7
341.06790	5.1
353.02969	4.2
354.03796	3.0
381.02512	3.6
385.05664	57.2
413.05179	43.0
431.05939	2.8
493.11557	10.6
519.09668	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	951.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
68.75096	0.5
71.40816	0.6
72.99313	3.0
93.45646	0.5
102.37151	0.5
108.02198	1.3
109.02969	43.1
110.03333	0.6
115.05506	0.6
121.02955	1.1
123.04570	1.2
135.04532	2.3
145.02937	1.4
147.04543	1.2
149.02461	2.4
155.51553	0.5
157.02965	1.6
159.04561	4.7
161.02380	0.6
173.02454	2.5
174.03250	0.7
179.03529	1.9
185.02469	22.4
186.03242	6.3
197.04550	1.6
208.05351	1.0
209.06099	1.5
211.03687	0.6
211.07686	0.9
221.05989	1.2
223.07787	0.6
224.04848	0.7
225.05598	3.7
232.05321	0.5
236.04869	1.2
239.07133	1.9
248.04839	0.8
249.05609	3.3
250.06346	1.5
251.03500	1.5
251.07228	1.9
252.04138	2.7
253.05060	0.9
266.05780	1.3
267.06631	6.6
269.08188	2.3
277.05145	8.9
279.03043	6.9
280.03781	7.0
293.04602	1.8
295.06161	52.5
296.06448	1.3
313.06949	0.7
314.03641	0.5
321.04022	2.1
339.05127	100.0
340.05469	2.7
449.04236	0.6
493.11368	1.2
527.57257	0.6
537.10559	1.0
595.85962	0.6
648.59113	0.5
787.83234	0.6
840.29224	0.6
878.63330	0.6
983.64496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	2.1
72.99313	17.0
85.02967	0.4
89.02454	2.7
95.01350	0.3
99.04512	0.7
101.02446	1.4
105.03471	0.3
107.05058	0.7
109.02969	1.3
109.83850	0.2
113.02474	1.5
119.03516	1.2
120.68614	0.2
123.04541	7.1
132.02191	0.9
133.02974	22.4
134.03790	0.6
135.04541	18.8
143.03479	0.3
150.52756	0.2
151.04037	0.8
161.02461	100.0
161.13356	1.4
162.02811	0.9
169.10312	0.3
173.93597	0.3
179.03513	15.1
179.05508	0.7
187.11328	3.1
196.12601	0.3
197.04565	20.3
205.12352	2.9
223.02570	0.5
229.12383	0.9
249.11354	3.3
295.06137	0.7
339.05106	1.2
359.07758	38.9
360.07922	0.6
385.18680	0.6
411.16568	3.5
429.17599	6.4
443.00854	0.3
591.22943	8.3
949.17914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74654	1.1
72.99316	17.1
86.85423	0.5
102.87614	0.5
107.01398	1.0
111.94327	0.5
117.03567	0.5
119.24580	0.5
123.04550	7.6
132.02196	2.4
133.02975	25.3
134.03748	1.2
135.00958	0.6
135.04543	19.1
136.04872	0.6
151.00395	1.5
151.04030	0.8
161.02464	100.0
162.02809	1.8
163.00433	1.3
169.06577	0.8
179.03517	11.9
185.06113	1.4
187.04021	1.5
189.05579	0.6
196.09705	0.5
197.04568	21.8
211.03987	1.1
213.05635	0.9
223.02435	0.7
227.03517	12.8
227.05652	0.9
228.03888	0.6
229.05113	5.5
233.04593	0.7
239.03488	1.4
255.03012	25.2
256.03741	2.7
257.04623	3.6
267.03055	0.6
283.02246	0.6
284.03296	35.9
285.04086	44.0
286.04449	1.3
307.04602	1.7
321.04083	0.6
327.05182	1.3
359.07761	37.9
360.08105	1.2
406.29349	0.5
523.82648	0.5
593.15192	84.5
594.15417	3.9
629.26489	0.6
739.83618	0.6
794.49701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.227
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.4
69.03460	0.8
70.57638	0.6
70.93021	0.3
71.01382	2.0
71.05026	0.8
73.02953	0.6
73.36453	0.3
77.03976	1.0
80.12098	0.3
83.01396	1.7
85.02951	0.5
89.02455	1.0
91.01908	0.4
93.03487	1.8
95.01403	0.8
95.05038	0.5
97.02962	4.9
101.02430	0.8
104.67339	0.4
105.27742	0.3
108.02175	1.3
109.02967	1.2
113.02444	0.8
116.96083	0.3
117.03489	0.4
118.24565	0.3
119.05042	0.7
121.02970	5.5
123.04570	1.3
132.02165	1.2
133.02966	1.5
134.03754	13.9
135.00902	0.7
135.04579	1.7
136.01624	0.4
137.02455	23.7
139.04031	13.3
139.05121	0.6
146.03683	0.5
147.04547	2.0
148.05374	1.1
149.02509	0.7
149.06125	4.4
151.04013	0.9
152.01167	1.2
160.01675	7.8
161.02478	2.2
163.00385	7.6
163.04030	2.4
164.01190	2.6
165.01947	100.0
166.02313	0.4
167.03513	4.7
173.02467	0.4
174.03168	0.6
175.04027	10.0
176.01199	0.4
176.04814	5.6
177.01939	1.8
178.02753	2.2
179.03535	1.9
183.04633	0.4
189.01970	3.7
191.03500	1.4
191.07149	7.0
192.04424	0.4
193.05074	14.7
204.00502	0.4
205.01486	0.4
207.03032	4.9
207.06636	1.7
209.00916	3.4
209.04643	0.6
212.98247	0.4
217.05080	1.5
219.03001	1.2
220.03836	0.9
221.64645	0.4
227.03525	0.9
231.03014	0.7
235.06143	14.7
255.03090	0.4
265.07190	6.8
291.05219	0.5
295.08289	12.7
300.02737	1.4
314.04605	0.9
315.05167	6.6
325.09482	0.4
329.69022	0.3
337.09332	1.3
351.07114	2.8
355.10397	4.9
375.59622	0.4
381.08441	0.4
393.08350	0.9
395.09869	3.3
411.09418	9.0
429.10422	15.3
437.07309	2.4
445.12222	0.4
453.10577	3.2
459.17184	0.4
501.10345	1.0
505.13705	0.4
511.82150	0.4
519.11206	0.8
535.14294	0.5
550.21527	0.4
561.12543	50.9
562.13025	1.1
579.14154	0.5
603.13647	1.4
744.48676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55116	1.2
72.99316	11.5
77.08728	0.6
81.03488	0.9
85.95621	0.6
93.03469	3.4
99.00900	1.2
105.03469	1.5
107.05038	1.0
108.02182	0.7
109.02973	10.8
117.03502	1.7
121.02965	16.1
123.04543	6.8
131.05034	0.7
132.02148	0.8
133.02963	12.8
134.03737	2.5
135.04541	56.9
136.04851	0.9
145.02977	3.7
147.04541	5.5
149.02486	1.2
150.03233	1.4
151.04030	6.0
158.03748	1.4
159.04549	6.0
161.02466	22.9
162.03223	2.4
165.05588	1.0
173.02461	14.6
173.03891	1.3
177.01958	4.1
177.05632	1.4
179.03514	45.7
180.03926	0.7
185.02516	2.5
186.03191	0.9
187.04031	0.7
188.48270	0.6
191.03494	0.9
193.06551	0.9
197.04549	8.0
197.06152	0.8
203.03636	0.8
211.07655	1.2
221.04536	2.7
221.06331	1.0
223.07623	1.5
224.04883	0.9
230.09212	0.6
239.07179	1.7
241.08789	0.9
249.05617	2.7
250.06334	1.2
251.07184	2.5
253.04968	0.8
266.05774	1.4
267.06662	4.6
269.08215	7.4
277.04999	3.0
295.06140	100.0
296.06461	1.0
313.07211	11.3
357.06158	11.9
359.07697	3.8
493.11450	32.2
537.10492	28.9
537.17291	0.4
537.19269	1.0
752.67578	0.7
861.88403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.6534
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81833	1.0
82.42921	1.1
104.28570	1.0
116.34801	1.1
125.14188	1.2
208.96889	1.0
217.26346	1.1
223.64098	0.9
249.32823	1.2
383.80682	1.3
469.33246	94.8
470.33493	4.1
529.99536	1.2
961.65454	100.0
962.65778	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	961.6785
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98083	0.2
73.02923	0.1
76.85229	0.1
98.05569	0.1
102.74178	0.1
204.08675	0.2
379.30188	0.3
381.31747	0.1
391.30106	0.3
409.31232	0.7
421.30911	0.3
485.33328	0.3
486.33026	0.5
487.34338	100.0
488.34738	3.3
848.28839	0.2
957.52118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25057	9.5
69.25460	4.8
69.82133	2.5
71.01389	32.8
72.99320	3.0
73.02953	4.8
77.19904	2.2
77.74840	2.4
83.01382	6.2
85.02950	9.0
87.00894	12.1
89.02466	16.8
89.03979	4.7
95.01422	2.9
99.04527	10.3
101.02464	15.3
105.03464	4.1
108.02169	4.2
109.02996	3.6
113.02441	15.5
117.03493	13.6
119.03507	9.3
119.05103	3.9
121.02997	3.2
122.03727	5.5
122.68964	2.4
123.04559	5.0
132.02161	6.3
133.02974	16.7
134.03755	99.9
135.04514	17.4
137.02449	2.8
143.03540	3.2
145.02977	44.5
146.03740	11.9
147.04533	34.2
148.05367	13.5
149.06094	16.1
150.03275	3.3
151.04042	3.2
158.03761	3.7
160.01682	46.0
160.18471	2.3
161.02467	46.6
161.04568	7.5
161.13368	19.3
162.03242	65.8
162.37082	2.7
163.04044	12.7
163.07663	4.1
164.04826	3.0
165.05568	3.9
173.06061	2.7
175.04027	50.8
176.04794	49.3
177.01942	11.1
177.05589	26.7
178.02760	16.0
179.03517	6.1
179.05656	5.4
180.04311	17.6
185.13408	7.4
187.11295	55.5
191.07152	60.1
192.04306	6.5
193.05090	83.2
195.06647	27.3
203.14420	6.6
205.12392	34.0
207.06635	15.2
217.05290	3.8
219.06593	5.9
220.03812	8.1
229.12360	32.2
235.06136	85.5
237.09637	2.6
247.13326	23.8
249.11351	6.4
251.60143	2.4
259.13376	4.1
265.07196	22.8
277.14706	4.2
289.14603	3.4
295.08215	34.7
307.15482	8.5
339.10706	14.4
351.14615	4.5
355.10425	14.1
357.11951	80.4
357.16437	4.5
359.07825	3.3
545.23883	15.9
589.23047	25.3
607.23975	100.0
648.93201	2.6
945.34003	7.2
963.35083	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	963.6871
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40882	0.5
81.03468	5.8
83.05038	14.3
96.96002	1.6
108.02205	0.4
108.57647	0.4
109.02962	0.7
185.02504	0.4
207.15062	1.2
224.17657	2.4
225.16100	10.0
251.46133	0.4
291.20712	0.4
309.21973	0.9
321.03964	0.6
323.34622	0.5
329.53772	0.5
333.22971	0.9
367.27036	0.7
433.31705	1.3
450.34503	1.8
451.32910	8.1
519.08972	0.5
547.93018	0.4
550.43823	0.5
567.46039	0.8
593.44781	0.4
676.51642	0.4
677.49738	1.7
903.66626	100.0
904.66412	4.2
952.81189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71201	0.2
70.60092	0.3
71.01393	0.5
72.99315	15.2
73.02942	0.4
85.02959	0.2
93.03436	0.2
95.05032	0.3
101.02467	0.5
105.03471	0.7
107.05030	0.6
108.02155	0.2
109.02949	0.8
119.05050	0.2
121.02958	0.4
122.03725	0.2
123.04546	7.0
125.02471	0.3
132.02168	1.1
133.02972	24.1
134.03801	0.9
135.04539	19.7
136.00714	0.3
136.01689	3.9
136.04883	0.4
137.02428	0.2
147.80026	0.2
151.04027	5.8
152.04309	0.2
161.02463	100.0
162.02829	1.1
163.04018	0.3
177.01895	0.3
177.05502	0.2
179.03516	15.6
180.03873	0.3
197.04572	19.8
219.03046	0.2
223.02530	0.4
223.75713	0.2
231.03047	0.3
232.03415	0.2
324.10257	0.2
339.12296	0.4
342.11121	0.2
357.06488	1.5
357.13452	4.8
358.06577	0.8
358.13785	0.3
359.07748	40.2
360.07999	0.6
373.40723	0.2
403.11804	0.2
450.36264	0.2
501.30765	0.2
568.52893	0.2
696.77942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	3.8
89.02452	4.1
99.36520	1.9
101.02441	4.5
106.06659	1.8
109.02957	3.2
112.54433	2.1
113.02454	2.9
122.06133	4.8
132.02213	2.0
132.04541	3.5
133.02977	17.8
134.03722	2.2
134.06165	17.0
135.04556	22.1
149.06021	2.7
152.07114	3.9
161.02463	42.9
177.05479	2.8
179.03545	9.5
179.93958	1.9
213.10332	5.8
221.04431	2.0
223.77101	2.4
239.11928	4.5
241.13327	2.2
241.65424	2.4
277.09653	2.6
285.12439	6.6
325.89352	2.2
328.10989	3.7
342.12469	2.5
358.15640	5.5
384.13354	3.7
398.15085	4.0
400.16428	8.7
412.16534	5.7
444.15549	2.9
573.21552	3.0
743.29321	3.1
753.28009	2.9
771.29004	49.2
772.29749	2.6
889.32922	4.0
933.32123	100.0
934.32587	7.9
965.34283	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	965.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
68.81370	0.7
71.01388	9.7
72.99314	1.6
73.02965	2.0
73.73428	0.7
80.05072	1.1
83.01389	1.0
85.02958	3.0
89.02452	7.0
91.19363	0.8
95.01392	1.2
96.96022	2.2
98.22615	2.2
101.02461	6.6
104.05067	0.9
106.06637	2.4
107.03721	0.9
113.02501	4.0
119.03527	2.7
120.04597	1.2
121.70479	0.8
122.06140	6.1
132.04607	2.5
133.02956	3.6
134.06137	23.8
135.04529	2.6
152.07201	4.3
158.02444	1.4
160.06468	1.4
161.02469	8.3
161.04605	0.9
177.01875	1.2
179.03532	1.7
190.05161	2.9
191.10179	0.8
197.04611	0.9
213.10350	11.0
225.10414	1.5
228.93446	0.8
239.12003	6.7
241.13461	5.0
249.10432	1.4
251.08488	1.0
251.11885	2.7
265.09879	1.5
267.11417	8.0
277.09924	0.9
285.12457	17.6
291.11066	0.9
293.13028	2.2
295.66888	0.9
300.02753	0.9
301.12177	0.9
305.09399	2.5
314.12570	1.1
316.14615	2.0
327.13632	1.9
328.10886	1.7
337.11917	2.7
340.14594	7.7
342.12448	1.1
343.13403	1.8
344.14081	1.3
353.17783	0.8
354.11993	0.8
355.13455	1.0
356.13965	2.5
357.15222	1.0
358.15601	7.1
359.07834	1.2
368.10281	1.8
370.15469	2.7
372.17395	1.4
382.15756	1.0
383.12823	0.9
384.13235	6.0
384.17697	1.2
385.14130	1.6
396.13443	1.9
397.14246	1.1
398.15048	4.2
400.16843	8.7
410.15051	1.0
412.16583	6.4
416.16678	1.0
426.14432	1.2
438.14749	1.3
444.15646	2.7
475.17410	1.1
476.18491	1.1
505.22198	1.0
517.18420	2.6
525.98389	1.0
545.22382	1.9
561.12421	1.7
573.21356	2.8
591.22485	2.4
725.28094	1.3
727.29724	4.3
735.26270	1.0
743.29169	2.1
753.27942	21.2
771.28925	100.0
772.29169	5.1
785.31250	7.0
795.29608	0.9
803.31592	82.9
804.30542	3.8
840.09241	1.0
845.32257	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	965.6856
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01548	0.4
70.92567	0.4
140.69435	0.3
166.11714	0.3
359.85626	0.4
407.33099	0.6
456.54083	0.3
471.34805	100.0
472.35303	4.3
594.06427	0.4
766.59393	0.4
965.68555	77.1
966.69092	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	965.6857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36612	2.9
109.30193	0.6
119.76842	0.5
145.58627	0.6
166.66328	0.5
182.30605	0.5
471.34814	83.7
472.35098	4.3
717.60992	0.5
726.23700	0.6
751.48724	0.6
965.68567	100.0
966.68744	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	965.6862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82510	1.6
78.91919	0.9
79.95744	0.6
96.27279	0.5
96.96030	1.0
126.84392	0.5
135.04568	0.6
147.61307	0.4
185.56372	0.5
371.38855	0.6
471.34830	95.3
472.35089	4.1
965.68549	100.0
966.68921	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	965.686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60728	0.6
69.61065	1.8
69.88141	0.4
76.53820	0.4
99.93577	0.4
154.40904	0.5
210.18515	0.6
227.34335	0.5
393.31393	0.8
423.32639	1.8
437.96307	0.5
462.92627	0.4
471.34821	91.0
472.35370	3.0
733.69617	0.5
876.02411	0.6
965.68573	100.0
966.68805	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	965.687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17680	6.1
69.18090	3.1
70.34364	1.3
96.95987	2.1
116.02773	1.3
250.23422	1.6
471.34854	99.1
472.35144	4.9
938.67499	1.8
951.05475	1.6
965.68634	100.0
966.67975	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	967.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43453	5.7
69.55962	1.1
109.02994	2.0
121.02974	4.2
133.02939	1.7
135.04523	4.3
147.04562	2.9
151.00432	1.3
161.02505	2.1
161.03792	1.2
161.67313	1.2
162.03232	2.0
163.04047	2.2
165.33684	1.2
173.06087	1.2
174.03258	1.4
175.04015	3.0
189.05614	1.9
191.03618	1.6
197.06041	1.4
199.04021	2.6
205.05205	1.5
206.92921	1.4
211.04065	1.7
213.05629	2.6
215.03458	2.1
215.07202	1.5
217.04996	3.2
227.03477	2.6
228.04330	1.4
229.05037	4.6
230.01962	1.4
231.03027	1.3
240.04376	1.6
241.05093	5.5
243.02951	3.1
244.03911	2.6
255.02968	4.3
256.00128	2.1
256.03784	1.2
257.00784	1.1
257.04553	3.2
258.01752	2.7
259.06119	2.2
266.02298	1.5
269.04700	3.5
271.02512	3.8
272.03098	1.6
273.04120	5.3
283.02567	1.6
285.04065	7.1
285.35788	1.3
297.04156	2.1
300.02921	1.5
301.03580	3.6
310.62930	1.2
313.03363	1.7
328.96536	1.6
347.04108	5.8
405.06107	2.4
407.07553	1.5
408.04831	1.5
409.05649	3.8
417.05951	1.8
422.06415	20.6
423.07275	7.6
434.06345	8.5
435.07196	8.3
451.06470	1.6
497.07394	8.3
743.18402	4.1
760.15228	1.4
805.18396	100.0
806.18420	2.2
967.21747	4.8
994.25073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43453	5.7
69.55962	1.1
109.02994	2.0
121.02974	4.2
133.02939	1.7
135.04523	4.3
147.04562	2.9
151.00432	1.3
161.02505	2.1
161.03792	1.2
161.67313	1.2
162.03232	2.0
163.04047	2.2
165.33684	1.2
173.06087	1.2
174.03258	1.4
175.04015	3.0
189.05614	1.9
191.03618	1.6
197.06041	1.4
199.04021	2.6
205.05205	1.5
206.92921	1.4
211.04065	1.7
213.05629	2.6
215.03458	2.1
215.07202	1.5
217.04996	3.2
227.03477	2.6
228.04330	1.4
229.05037	4.6
230.01962	1.4
231.03027	1.3
240.04376	1.6
241.05093	5.5
243.02951	3.1
244.03911	2.6
255.02968	4.3
256.00128	2.1
256.03784	1.2
257.00784	1.1
257.04553	3.2
258.01752	2.7
259.06119	2.2
266.02298	1.5
269.04700	3.5
271.02512	3.8
272.03098	1.6
273.04120	5.3
283.02567	1.6
285.04065	7.1
285.35788	1.3
297.04156	2.1
300.02921	1.5
301.03580	3.6
310.62930	1.2
313.03363	1.7
328.96536	1.6
347.04108	5.8
405.06107	2.4
407.07553	1.5
408.04831	1.5
409.05649	3.8
417.05951	1.8
422.06415	20.6
423.07275	7.6
434.06345	8.5
435.07196	8.3
451.06470	1.6
497.07394	8.3
743.18402	4.1
760.15228	1.4
805.18396	100.0
806.18420	2.2
967.21747	4.8
994.25073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	8.0
89.02445	2.7
90.51392	2.1
93.42468	2.0
101.02463	5.0
106.06641	2.4
109.02953	2.1
111.65216	2.0
112.18167	2.2
113.02501	2.6
114.75278	2.2
117.03505	2.3
120.08167	2.7
122.06160	9.8
127.63614	1.9
132.02246	3.8
133.02980	24.6
134.03755	6.8
134.06133	17.2
135.04543	23.6
149.06041	3.0
150.05678	3.2
152.07184	3.5
160.01732	2.0
161.02469	56.5
170.51825	1.9
177.05595	4.9
179.03566	14.4
187.81178	2.4
191.93773	2.3
221.04549	5.8
235.73021	1.8
239.11931	3.8
240.41902	1.9
251.05734	2.1
251.08173	3.8
262.11218	2.3
263.08279	3.5
264.09174	5.0
265.09686	5.8
277.09912	3.8
279.11484	11.4
281.06506	3.5
281.12946	2.9
287.70102	2.4
292.12292	3.0
307.10840	3.3
323.10446	2.3
324.11185	2.6
372.16821	2.5
398.15152	2.8
414.18063	4.0
472.18948	4.8
473.19553	3.0
488.18265	2.8
490.20270	2.8
651.24182	6.6
773.30481	42.7
774.30847	3.2
805.32996	3.6
813.27264	5.9
917.78058	2.5
935.33728	100.0
936.33649	7.1
967.35779	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	967.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41082	0.8
71.01388	14.4
72.99325	1.4
73.02945	1.3
82.43978	0.7
83.01389	2.0
85.02982	4.3
89.02441	8.6
94.06637	1.0
95.01406	1.4
96.95985	0.9
98.22633	2.0
101.02464	7.6
106.06639	3.7
107.03786	1.4
113.02467	4.7
119.03542	2.0
120.08203	5.6
122.06138	13.6
131.66605	0.8
132.04526	1.2
134.06131	21.2
135.04547	2.0
150.05630	0.9
152.07175	4.4
158.02550	1.4
160.04021	0.8
161.02502	2.6
161.04622	1.1
162.85667	0.9
164.07256	0.9
165.47990	0.8
165.91043	0.9
174.05765	0.8
190.05112	4.2
211.08765	0.8
221.10966	2.4
223.08794	2.5
224.09476	0.9
225.10362	1.5
236.09567	1.1
237.10355	3.6
239.11932	5.9
241.13408	1.6
249.06689	1.2
249.10385	2.8
251.08247	2.0
251.11940	3.3
261.10410	1.0
262.16669	0.9
263.08289	3.9
263.11737	1.4
264.09058	6.0
265.09903	5.0
265.13309	0.8
269.13052	2.2
276.08990	2.7
277.09717	5.1
278.10608	2.2
279.11432	17.6
279.14355	1.6
280.12180	2.0
281.12796	1.4
291.11539	5.7
292.12219	2.6
293.12961	1.7
294.13751	1.4
295.11148	1.2
305.09351	3.3
307.10843	1.3
309.09149	1.0
314.12546	2.4
323.10529	2.0
324.11166	1.5
326.02682	1.0
337.11981	1.8
342.16211	3.0
358.19406	1.2
360.17178	1.3
370.15659	1.4
372.17175	1.3
384.17337	2.3
386.18939	1.1
401.22363	0.9
402.18222	1.6
412.16757	1.3
414.18433	1.9
426.18472	1.7
430.17554	2.0
444.19122	1.8
460.18927	1.2
471.18106	1.1
472.18628	2.6
472.94800	0.8
473.19489	2.0
488.18127	1.0
490.19803	5.6
564.23132	1.0
593.24170	0.9
606.24280	2.1
623.24402	1.3
630.67291	0.9
632.22772	2.3
633.23462	1.4
650.23450	4.9
651.24750	4.9
664.25555	5.9
682.26373	8.1
724.26764	1.7
755.29419	10.9
773.30487	79.1
774.31006	2.4
787.32178	9.3
805.33105	100.0
806.33398	3.0
847.34277	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	967.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	56.4
72.99312	5.7
73.02954	100.0
75.75140	1.9
78.56651	1.6
83.01394	26.2
83.05036	8.0
85.02959	19.2
87.00890	2.1
89.02453	20.8
95.01412	3.8
96.96007	2.6
98.24392	1.7
99.00881	3.2
101.02453	83.5
102.02759	1.6
110.95702	1.5
113.02465	39.6
119.03511	12.5
125.02470	3.6
131.03510	7.3
133.02977	7.1
135.04518	9.0
135.96011	1.7
137.02448	2.5
143.03516	6.5
149.04535	13.2
151.04066	1.8
155.03600	2.1
161.02504	12.5
161.04567	35.5
179.03484	5.3
197.04565	2.0
203.05659	4.2
221.06665	7.2
248.56224	1.8
261.05475	1.9
359.07532	2.4
379.21295	8.1
397.22388	13.8
439.23419	68.8
440.23642	3.6
562.32977	1.8
792.24243	2.0
805.31110	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	967.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59007	0.7
68.37837	0.7
69.03465	2.2
69.24429	4.7
71.01389	34.7
72.99313	2.1
73.02954	100.0
75.00884	1.2
81.42063	0.8
83.01393	24.0
85.02953	8.0
87.00900	1.6
89.02455	12.6
95.01376	1.9
97.02963	2.1
99.00903	1.0
101.02453	82.8
109.02922	0.8
113.02461	26.9
119.03506	10.5
125.02431	3.7
131.03529	7.4
133.02933	2.1
135.04520	4.7
138.68280	0.8
143.03514	8.0
146.43593	0.9
147.03072	0.8
149.04562	15.9
155.03484	2.6
161.02589	4.1
161.04573	28.2
191.12383	0.8
197.04660	0.9
203.05603	3.7
221.06668	6.7
271.05530	1.0
397.22232	1.2
439.23453	10.0
471.31277	2.7
503.32376	2.5
641.54346	1.3
805.31824	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	967.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44740	1.0
69.45120	1.9
71.01369	1.9
71.90205	0.5
72.22344	0.5
73.02947	6.7
75.42398	0.6
78.56165	0.5
83.01392	1.9
96.96042	1.0
101.02460	10.4
109.02973	1.9
113.02463	2.1
121.00227	0.6
125.02431	0.6
131.03497	0.9
135.04541	0.7
143.03448	0.6
161.04572	1.6
169.74173	0.5
185.02440	2.0
203.05624	2.4
235.12349	0.6
250.14127	0.7
251.03349	0.6
279.03046	1.2
295.06149	1.3
321.04007	1.7
339.05096	1.1
407.33066	1.0
471.34811	100.0
472.35333	4.2
485.36020	2.7
513.35901	2.8
586.20801	0.6
879.48236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07758	0.8
69.08168	1.5
71.64203	0.3
72.99311	0.4
107.01407	1.5
108.02194	0.9
109.02975	0.6
121.02965	0.9
133.02966	1.2
135.00882	0.4
135.04517	0.9
148.01669	0.6
151.00392	7.5
161.02466	3.3
163.00409	1.7
178.99881	3.1
179.03487	0.7
192.00623	0.4
199.04114	0.6
211.04007	0.8
226.02769	0.8
227.03601	1.6
228.03966	0.3
229.05322	0.3
243.02975	5.5
245.04486	0.6
254.02252	0.9
255.03020	15.4
256.03366	0.7
257.04321	0.3
271.02515	31.8
272.03006	2.2
273.03561	0.6
283.02692	0.5
299.02097	0.6
300.02789	60.7
301.03525	24.1
302.03592	1.9
359.07922	1.1
470.69583	0.4
513.15747	0.4
609.14655	100.0
610.15051	9.7
611.15332	4.2
758.71313	0.4
762.87915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36196	0.2
69.15985	0.4
69.16309	1.6
72.99326	1.3
80.74433	0.2
81.03458	0.5
91.01926	0.5
91.22539	0.3
91.57756	0.3
93.37700	0.3
108.02178	2.1
109.02962	47.3
110.03367	0.3
115.05560	0.9
121.02940	1.2
123.04534	0.6
124.01685	3.0
133.02979	0.3
135.04536	1.4
137.02466	0.8
139.04031	0.9
139.90001	0.2
141.03467	0.5
144.24751	0.3
145.02968	1.3
147.00865	0.3
147.04515	1.6
148.01669	0.4
149.02454	1.9
157.02959	1.7
158.03766	0.9
159.04527	4.7
161.02385	0.4
173.02469	2.3
174.03145	0.5
179.03534	1.5
181.06631	0.4
183.04597	0.2
185.02455	25.3
186.03235	7.4
187.03879	0.3
193.06587	0.7
196.05261	0.5
197.04549	1.0
197.06123	0.5
203.03569	0.4
207.02969	0.5
208.05334	0.9
209.06075	1.8
211.04065	0.6
211.07672	0.7
212.04674	0.3
219.02904	0.4
220.05472	0.3
221.06133	2.2
222.06816	0.5
223.04034	0.7
223.07683	0.7
224.04797	2.1
225.05615	4.4
232.05244	0.3
233.05779	0.3
236.04768	0.5
237.05490	0.5
238.06483	0.5
239.07178	2.5
247.02538	0.5
248.04903	0.8
249.05589	5.6
250.06316	1.6
251.03493	1.7
251.07196	1.2
252.04292	4.0
253.05031	0.8
260.04813	0.6
264.04233	0.3
265.05133	1.0
266.05798	2.3
267.03632	0.5
267.06628	6.8
269.08301	2.1
276.04343	1.5
277.05090	10.5
278.05725	0.6
279.02997	5.4
279.05862	0.4
280.03781	7.7
281.04465	0.5
283.06412	0.3
293.04562	2.9
294.05392	1.1
295.06134	39.7
296.06348	1.2
313.07376	0.5
321.04059	4.7
321.07483	0.4
327.04892	0.3
331.36026	0.2
339.05103	100.0
340.05453	2.3
350.95084	0.2
369.06207	0.3
371.04190	0.3
399.07254	0.4
400.07474	0.3
401.08752	0.3
433.11353	2.1
441.50983	0.3
537.10162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.226
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08034	4.7
72.99312	6.9
76.18858	0.7
82.32352	0.6
90.70935	0.7
93.03460	0.6
96.96023	1.7
98.21851	0.9
108.02175	2.2
109.02964	66.8
119.74249	0.6
121.02956	1.4
123.04552	3.6
134.03772	1.6
135.04543	13.0
141.03481	0.6
145.02956	2.3
147.04520	4.5
149.02426	0.6
157.02982	5.3
158.03732	1.3
159.04536	14.6
161.02483	1.3
162.66437	0.6
173.02477	7.2
174.03210	0.8
175.03999	3.0
177.05634	0.8
179.03551	6.1
185.02460	66.3
186.03229	10.0
187.03954	1.0
196.12749	0.7
197.04520	3.8
203.03569	6.2
221.06105	1.1
224.04709	0.8
225.05602	1.2
233.08649	0.7
239.07124	1.0
248.04927	1.4
249.05708	3.5
253.05035	2.2
254.06082	0.7
265.05078	1.8
267.06549	3.2
269.08191	1.6
277.05014	5.3
278.05713	0.9
279.02960	3.2
280.03754	1.6
293.04745	3.4
294.05103	0.9
295.06146	100.0
296.06439	3.2
313.07208	7.1
321.04031	13.1
339.05118	4.8
493.11523	17.8
507.13651	0.7
519.09412	6.2
537.10370	1.7
639.43939	0.8
672.47620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
67.78275	0.9
71.40955	0.9
72.99323	8.5
78.87843	1.0
79.87593	1.0
81.37601	1.1
84.99343	1.6
87.00883	12.0
99.08155	1.2
103.00373	10.6
107.93353	1.0
109.02979	2.9
111.65885	1.0
112.98822	23.0
112.99614	1.2
123.04549	3.7
130.99861	4.4
132.02225	1.2
133.02971	17.0
135.04539	21.5
141.77126	1.0
145.03018	1.0
149.02466	4.2
161.02460	88.4
162.02829	1.7
167.10789	100.0
179.03503	18.3
182.04724	0.9
197.04539	16.1
198.69688	1.1
267.06601	6.6
283.06177	2.4
298.38574	1.1
299.11389	47.8
311.02325	1.9
311.05640	21.6
313.07117	4.6
337.03677	1.5
357.05878	1.0
359.07742	56.5
447.10779	1.0
466.54318	1.2
473.08585	1.2
491.09769	4.6
509.10797	3.2
521.11096	3.3
604.52710	1.3
671.13867	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	973.278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24632	1.3
69.25035	3.1
71.01413	0.9
72.99311	9.6
84.99323	2.3
87.00345	1.1
87.00880	20.7
103.00382	16.4
109.02953	3.7
112.98824	34.2
123.04563	4.4
130.99875	5.4
133.02974	15.6
134.03708	1.7
135.04543	19.3
140.00220	0.8
149.00998	1.5
149.02455	6.7
150.03256	6.6
161.02460	100.0
162.02843	1.3
163.03842	0.7
169.12355	70.8
177.01930	1.2
179.03514	15.7
197.04573	17.1
197.49248	0.7
267.06674	10.1
268.07434	1.1
283.06070	1.6
301.12961	67.1
302.13223	1.7
311.05646	25.0
312.06369	1.8
313.07291	7.4
327.12381	1.1
357.05969	1.1
359.07764	64.3
360.07928	1.5
402.37442	0.8
454.17316	0.7
454.50696	0.9
491.09875	3.3
509.19150	0.8
521.10980	5.7
671.13885	11.7
785.26123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37134	3.7
71.01389	3.4
72.99351	0.8
73.02934	1.5
75.30671	0.9
85.02952	1.0
87.00883	1.4
96.21922	0.9
101.02438	1.0
109.02997	1.6
110.26413	0.9
113.02461	2.2
117.03485	3.6
119.41663	0.9
121.02962	1.1
122.03756	4.2
123.04581	1.4
125.02451	1.7
132.02193	35.3
133.02930	3.1
134.03763	39.1
135.04535	2.7
136.01567	1.2
137.02432	1.0
137.05971	0.9
147.04523	1.6
149.02454	6.4
149.06091	4.4
150.03253	21.6
151.04025	1.2
152.04782	1.1
160.01680	97.3
161.02367	3.6
165.05594	13.2
175.04027	100.0
176.04387	1.8
178.02718	2.3
193.05083	37.2
194.05347	1.1
195.06633	3.7
203.05583	0.9
222.35596	1.0
283.51074	0.9
304.56033	1.1
501.17691	1.9
519.18805	2.5
547.18292	2.1
567.20917	1.9
670.03168	1.2
695.23126	4.6
707.25610	3.2
735.24774	1.7
737.26282	1.7
743.25391	6.5
777.25677	6.4
853.28674	1.5
883.30341	4.6
895.29529	1.8
913.31573	1.5
925.30927	9.1
931.32758	1.4
973.33679	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	973.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06927	6.3
71.01405	4.1
73.02966	1.3
74.07470	0.8
85.02934	1.9
85.97166	1.0
87.00893	2.0
89.02439	1.1
89.62717	1.0
92.51295	1.0
93.03464	3.2
101.02485	1.2
109.02951	1.0
113.02457	2.5
117.03487	2.7
119.05036	1.3
121.02985	7.8
122.03750	9.9
127.04000	1.8
132.02197	28.4
133.02966	4.2
134.03761	48.7
135.04573	5.4
136.01758	1.1
137.02449	1.5
137.06142	1.4
147.04462	0.8
149.02457	11.3
149.06068	5.5
150.03247	43.8
152.04807	1.7
160.01675	98.6
161.02483	6.1
162.03017	0.9
164.04849	1.2
165.05589	27.0
167.07137	3.8
175.04025	100.0
176.04416	0.9
178.02742	2.8
179.03537	2.3
180.04210	2.6
193.05081	30.9
195.06664	11.4
199.39359	0.9
202.48796	0.9
239.07233	1.6
250.06352	1.3
267.06891	2.0
282.09183	4.3
311.11374	2.1
327.74652	0.9
341.10300	14.3
359.07632	1.1
438.56174	1.0
468.32916	0.9
547.18286	23.5
559.20538	1.2
579.14111	0.9
589.19586	2.2
657.21173	4.7
675.22540	1.6
693.23413	1.5
695.23450	2.0
699.22235	1.8
717.23761	2.9
735.24902	17.2
743.24884	0.9
777.26208	86.5
778.26318	3.4
883.31104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.677
Annotation	Unknow
Peak:m/z	Relative Intensity
98.22796	1.3
141.34206	0.7
185.19363	0.9
206.69525	0.7
217.00183	0.7
243.96439	0.7
253.11742	0.7
300.26758	0.8
469.33145	1.5
485.32770	100.0
486.33133	31.5
487.34164	61.3
488.34653	1.3
584.92944	0.9
633.55554	0.8
908.82642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89149	0.5
69.08352	3.1
69.08765	1.3
71.01385	12.0
71.65907	0.5
72.99304	1.5
73.02954	5.1
83.01393	2.5
85.02949	5.4
87.00869	1.7
89.02458	2.3
95.01406	1.8
96.96001	0.7
97.02942	1.7
99.00890	3.1
101.02461	5.1
109.02945	0.8
112.01679	1.0
113.02434	4.1
119.03504	0.7
125.02435	1.3
133.02953	1.3
135.04526	2.6
150.03215	0.8
161.02448	2.6
161.04494	0.6
162.02899	0.6
179.03473	1.4
283.05981	0.7
285.18600	1.1
299.17035	1.1
299.20197	12.8
299.30972	0.6
311.05542	2.3
315.19638	1.0
317.21243	42.3
318.21442	0.8
359.22104	0.7
410.58044	0.6
413.23184	1.6
424.15524	0.6
425.23318	1.1
443.24268	0.7
461.25476	12.9
479.26566	26.5
503.26767	5.2
521.27625	20.9
605.29614	1.2
622.83472	0.6
623.30682	8.0
641.31897	8.4
642.31897	0.8
665.31805	13.0
683.32880	40.8
684.33167	1.8
725.33942	100.0
726.34119	3.9
767.34808	1.7
785.35870	2.2
827.36975	5.2
845.38458	3.3
875.80048	0.6
887.39307	20.5
888.39508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6573
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65711	0.9
71.05000	1.1
88.84668	0.6
100.46532	0.7
104.13623	0.8
161.02423	0.9
353.13605	0.7
374.14359	0.8
377.28650	0.9
379.30051	1.0
391.30038	2.5
409.31018	0.9
430.54047	0.7
453.30139	10.7
471.31192	100.0
472.31683	1.6
503.33838	82.6
504.33939	1.8
530.08643	0.7
908.98285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65502	2.9
72.99318	29.5
123.54462	1.5
126.94981	1.3
132.02151	3.4
133.02972	43.4
134.03725	3.4
135.04541	19.9
139.72911	1.3
143.36067	1.4
146.48024	1.5
161.02461	100.0
162.03192	1.5
179.03543	9.5
234.19101	1.3
235.60092	1.5
237.07951	2.9
239.05905	1.8
251.05844	1.8
252.06525	2.0
263.05896	1.8
276.26431	1.4
277.85550	1.5
281.07172	2.4
283.08585	1.5
294.07828	1.5
296.09412	2.4
299.08124	2.0
301.48508	1.7
313.05927	1.9
314.10324	7.0
322.07242	2.4
324.08878	2.5
325.05981	2.9
326.06717	3.2
326.10199	2.1
327.07477	3.3
328.08276	3.7
339.07605	1.7
340.08307	22.2
342.06171	1.7
342.09857	5.4
343.06784	2.0
343.10498	4.7
354.09827	1.7
356.11331	4.4
357.08380	2.1
358.09277	6.5
372.10849	2.7
417.10663	3.5
460.14349	1.7
491.15924	1.7
522.88989	1.8
535.15704	1.5
579.14032	16.3
634.30798	1.6
652.31281	29.6
789.40460	1.6
796.33643	1.9
800.41046	2.2
814.34540	99.4
815.33685	3.4
872.39124	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	977.194
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41741	1.3
71.81168	1.0
72.99315	15.6
96.04601	2.2
96.51077	1.0
97.04102	1.3
99.05687	1.9
107.05054	2.0
109.02966	28.2
111.02744	1.3
121.02985	9.2
123.04574	1.5
124.04062	1.9
133.02962	1.8
135.04506	2.5
137.07196	1.2
139.02269	8.4
140.07179	2.0
145.02925	1.9
151.04027	4.0
155.01752	31.5
155.08287	3.2
159.04558	2.1
165.06822	3.5
167.01747	22.3
173.02495	1.8
179.03503	1.6
183.01320	1.2
183.07793	3.0
185.02477	19.3
186.03171	3.8
193.06641	1.4
211.00748	21.2
211.17267	1.0
220.05312	2.0
221.06149	3.9
227.06761	9.4
229.01775	100.0
239.07047	1.9
248.04700	1.6
249.05536	7.8
250.06218	1.4
251.03535	3.6
252.04276	1.4
253.05028	1.7
265.05060	4.7
267.06653	3.8
276.04184	1.8
277.05106	8.9
278.05618	1.1
279.02991	10.5
280.03809	3.1
293.04614	10.6
295.06177	17.1
303.02982	2.2
321.04080	66.5
339.05109	18.0
367.05804	1.2
439.07980	1.2
457.09250	48.5
493.11356	1.9
519.09344	36.1
520.09631	1.9
525.08661	1.7
551.06616	18.9
779.14087	18.2
899.52197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75545	2.2
71.01398	3.4
85.02950	1.1
89.02454	2.4
95.57611	0.9
98.22639	1.1
101.02478	2.0
104.05078	1.1
106.06641	3.5
113.02480	1.0
117.03503	1.2
118.80882	1.0
120.08192	1.1
121.05319	1.1
122.06124	4.7
132.02188	4.1
132.04546	2.6
133.02985	3.5
134.03767	18.6
134.06122	15.7
135.04526	4.2
147.04486	1.1
149.06107	2.3
152.07170	2.1
158.02467	1.2
160.01680	19.5
160.03960	1.0
160.06456	1.5
161.02469	7.7
175.04015	15.5
176.04805	4.1
177.02013	1.1
179.03493	2.1
191.07130	4.9
193.05095	8.8
207.28900	0.9
213.10356	8.6
220.03850	1.3
223.08781	1.0
235.06154	4.0
239.11943	5.7
241.13541	6.2
251.12001	2.6
265.09891	1.3
267.11398	1.5
277.09778	1.2
278.10458	1.0
285.12473	12.5
305.09302	2.6
328.10861	2.4
340.10922	1.1
342.12543	2.2
343.13245	2.3
344.14279	1.4
356.14114	2.8
357.14774	2.0
358.15619	4.2
368.10342	2.2
368.14444	1.4
370.11652	1.6
370.15787	1.9
372.17084	1.1
382.15942	1.1
384.13397	4.1
384.17477	2.4
385.14594	1.1
396.13504	1.5
398.15097	4.1
400.16663	5.6
412.16708	4.9
426.14783	1.8
430.41656	1.1
437.05396	1.1
438.14688	1.1
444.15756	1.8
481.72681	1.2
591.22742	1.3
680.46271	1.2
743.28949	1.1
753.29102	2.3
771.28735	11.6
803.31421	1.4
903.35114	3.0
947.33624	100.0
948.33038	4.8
979.36121	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	981.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30252	0.7
69.30660	0.8
72.99316	15.1
75.81020	0.2
96.03869	0.2
105.03468	0.5
107.05023	0.5
108.02205	0.4
109.02957	7.2
109.41310	0.3
122.03751	0.3
123.04533	7.5
132.02164	1.7
133.02971	24.8
134.03781	1.3
135.04541	19.4
136.01680	2.6
146.03754	1.1
148.01697	1.1
150.03247	0.8
151.04034	4.9
153.05592	1.1
161.02460	100.0
162.02831	1.4
163.04044	2.9
163.63023	0.3
164.01236	0.5
164.04803	0.7
165.01974	0.6
166.02728	6.8
167.03476	0.6
178.02707	1.3
179.03516	13.9
179.07086	3.5
181.05078	20.8
193.03310	0.4
193.05064	7.6
197.04567	18.6
207.06595	0.3
211.06131	9.1
211.08096	0.6
223.02502	0.4
254.05904	0.7
269.08240	1.1
284.10428	0.5
285.11490	0.3
298.08240	0.3
313.10846	0.7
343.11972	1.5
359.07751	40.5
360.07956	0.8
373.12936	8.4
407.21747	0.3
577.19739	0.5
900.36462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30252	0.7
69.30660	0.8
72.99316	15.1
75.81020	0.2
96.03869	0.2
105.03468	0.5
107.05023	0.5
108.02205	0.4
109.02957	7.2
109.41310	0.3
122.03751	0.3
123.04533	7.5
132.02164	1.7
133.02971	24.8
134.03781	1.3
135.04541	19.4
136.01680	2.6
146.03754	1.1
148.01697	1.1
150.03247	0.8
151.04034	4.9
153.05592	1.1
161.02460	100.0
162.02831	1.4
163.04044	2.9
163.63023	0.3
164.01236	0.5
164.04803	0.7
165.01974	0.6
166.02728	6.8
167.03476	0.6
178.02707	1.3
179.03516	13.9
179.07086	3.5
181.05078	20.8
193.03310	0.4
193.05064	7.6
197.04567	18.6
207.06595	0.3
211.06131	9.1
211.08096	0.6
223.02502	0.4
254.05904	0.7
269.08240	1.1
284.10428	0.5
285.11490	0.3
298.08240	0.3
313.10846	0.7
343.11972	1.5
359.07751	40.5
360.07956	0.8
373.12936	8.4
407.21747	0.3
577.19739	0.5
900.36462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06711	5.2
69.07136	2.8
71.01401	1.7
83.01397	5.5
93.03487	1.4
94.08151	1.0
97.02943	1.2
98.21906	2.8
108.02156	1.2
108.12540	1.1
109.02978	7.8
117.03500	2.2
119.01371	1.5
119.05029	6.3
121.02950	2.6
123.04579	1.3
124.01673	4.1
125.02466	58.8
132.02173	3.3
133.02933	3.0
133.06598	1.4
135.04532	3.2
137.02495	6.9
138.68466	1.2
143.04991	1.2
145.02971	7.9
147.00854	3.1
147.04500	1.5
148.01604	1.4
149.02460	14.1
159.04572	1.2
160.01678	10.9
161.02473	14.2
161.05997	1.9
163.00375	3.7
163.04016	4.8
165.01952	6.9
167.05087	1.2
171.04466	2.7
172.05298	1.2
173.06123	1.4
174.03244	1.8
175.04030	16.5
177.01875	2.4
177.05595	1.9
179.03522	3.2
182.03751	2.9
183.04521	4.6
184.05313	2.7
185.06073	2.0
187.04004	1.8
191.03517	2.6
195.04483	2.5
195.17984	1.3
196.05304	3.1
197.06155	3.2
198.03238	3.5
199.04022	17.3
200.04799	3.1
201.05557	1.7
205.05054	2.6
209.06116	2.1
210.03246	6.6
210.06775	1.2
211.04045	15.2
211.07690	4.5
212.04799	3.8
213.05592	5.0
213.09254	4.1
214.02768	1.5
214.06377	1.8
215.03543	2.0
217.05086	7.9
217.08734	4.1
219.64116	1.0
221.06056	2.0
222.06915	1.8
223.04042	12.5
223.07791	1.1
224.04802	11.2
225.05548	2.9
225.09201	1.5
226.06369	1.7
227.03545	9.3
227.07153	3.6
228.04338	5.3
228.07866	2.4
229.08673	3.6
235.05833	2.1
235.07751	3.5
237.05502	2.5
237.09251	3.3
238.06392	2.6
239.03716	5.4
239.07169	40.7
240.04289	7.7
240.07841	2.9
241.05057	8.6
241.08730	3.8
243.02965	1.9
245.08116	3.6
248.44835	1.1
249.05577	3.2
250.06429	1.9
251.03415	3.1
251.10799	2.8
253.05043	1.8
253.08678	3.8
255.02983	8.1
255.06744	1.7
255.10313	3.1
256.03583	2.0
256.07462	4.3
257.04517	2.7
257.08212	17.1
261.05594	2.5
261.09222	2.0
262.06247	1.5
262.09888	1.2
263.07178	7.3
264.04321	2.6
265.04910	2.2
265.07181	7.4
266.02228	2.6
266.05750	1.6
267.03021	27.5
268.03751	18.2
269.04398	2.3
275.07108	2.0
277.08826	2.4
278.05966	1.8
278.09122	1.5
279.06665	3.8
279.10239	6.6
281.04550	1.9
281.08148	1.9
282.05380	1.4
283.02530	15.3
284.03302	12.6
285.04068	35.8
289.05066	2.1
290.05966	2.5
291.03012	1.3
291.06616	2.7
292.04099	2.3
292.07422	2.2
293.04678	1.8
295.09821	1.9
297.11343	3.0
301.08694	1.6
303.06720	2.3
303.10263	3.0
304.07355	1.2
307.06100	4.8
308.07001	2.0
309.07361	1.8
317.04407	3.0
318.05344	3.5
319.06302	1.8
319.09674	6.1
320.06952	1.9
321.07617	5.5
321.11295	5.7
322.08395	1.8
325.09320	2.9
329.08124	2.6
332.06937	1.8
335.05527	5.0
335.09335	3.4
336.06259	4.2
337.10757	2.9
339.08975	1.4
347.09253	26.9
355.11902	7.8
364.09476	2.6
365.10309	91.5
371.09238	2.7
383.11526	6.4
389.10410	14.3
407.11279	7.7
431.11346	3.6
471.09210	2.3
473.12439	1.2
489.10236	3.0
513.10840	1.3
514.11194	2.5
515.13104	1.2
530.10419	1.9
531.11487	47.4
532.12231	21.9
533.14197	2.3
541.17725	2.2
551.07330	1.7
551.15601	15.2
565.17212	6.1
569.16248	6.4
575.12439	1.3
587.17419	2.2
593.14130	5.6
611.17761	100.0
612.18195	2.3
628.17883	2.2
629.18750	27.5
691.20532	9.1
831.47443	1.2
839.20459	10.1
977.61151	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	981.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10313	1.2
71.01389	4.1
71.42336	1.2
87.00853	1.4
89.02441	3.7
95.61684	1.1
96.96038	1.7
101.02470	2.2
105.03465	1.2
106.06618	5.5
113.02460	1.5
117.03510	1.7
119.04948	1.2
120.08173	4.5
122.06116	9.5
132.02167	4.9
132.04561	1.7
133.02940	3.5
134.03775	22.6
134.06143	16.8
135.04523	3.1
147.04526	2.8
149.06064	3.1
150.05585	2.6
152.07159	5.1
160.01683	23.6
161.02478	7.3
167.51559	1.1
175.04013	17.5
176.04819	7.0
179.03569	1.5
191.07164	5.6
193.05070	13.7
207.06528	1.4
220.03711	1.3
223.08769	2.1
224.09575	1.8
235.06111	8.6
235.08139	1.3
237.10370	2.4
238.10922	1.4
239.11996	5.8
241.13394	1.1
249.06754	1.4
249.10367	1.6
251.08293	3.7
251.11917	4.2
263.08411	2.1
263.11673	1.5
264.09076	9.6
265.09854	8.0
277.09775	6.7
278.10541	2.8
279.11417	18.0
280.12027	1.4
281.13022	2.9
291.11411	4.0
292.12189	2.4
293.13007	1.3
305.09229	2.0
307.10843	2.1
323.10370	1.4
337.11826	2.0
370.15634	2.3
372.16867	1.4
384.17523	2.2
385.12943	1.5
412.16263	1.2
426.18372	3.7
442.17834	1.7
444.19318	2.1
446.16885	1.8
452.16043	1.2
454.17905	1.5
471.18069	2.6
472.18555	4.5
473.19452	1.8
488.18326	3.3
490.19431	3.3
643.27765	1.4
651.24182	2.2
745.30615	1.5
773.30658	8.2
782.29535	1.9
787.32709	2.3
805.33264	2.3
826.28082	6.8
827.29431	7.6
842.44629	1.2
858.30219	5.5
949.35205	100.0
950.35229	7.9
981.37585	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	981.6597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62138	0.7
71.42348	0.8
89.62524	0.8
96.96059	1.0
115.78166	0.7
135.04514	1.1
149.35773	0.8
152.40996	0.9
191.20656	0.8
191.66096	0.8
212.95804	0.8
241.30777	0.8
471.34833	100.0
472.35138	3.4
672.06500	1.1
781.04749	0.8
981.66095	57.0
982.66180	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	981.6599
Annotation	Unknow
Peak:m/z	Relative Intensity
74.42887	1.0
78.21423	1.0
85.52020	1.1
90.39937	0.9
201.50688	1.0
464.94424	1.0
465.01224	1.0
471.34860	100.0
472.34927	4.6
585.71802	1.1
642.18713	1.1
751.82428	1.1
772.06616	1.2
958.81238	1.1
981.66150	59.9
982.66510	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	983.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	2.9
71.41213	0.6
73.02956	6.9
83.01411	1.5
85.02970	0.8
96.96043	0.8
101.02459	10.8
109.02954	3.2
109.24652	0.7
113.02460	1.4
114.13802	0.6
125.02457	1.0
133.02881	0.8
135.04530	1.8
143.03505	1.3
144.45238	0.6
155.03511	1.0
159.04526	0.8
161.04602	1.8
179.03622	0.6
185.02473	2.4
203.05563	4.1
221.06558	0.9
249.05603	0.8
277.05029	1.1
279.02966	1.2
293.04504	1.2
295.06134	2.5
321.04071	4.8
322.04388	0.9
331.54541	0.7
339.05008	3.5
391.30328	0.8
393.31735	2.0
403.30057	0.9
405.31693	1.0
406.11700	0.8
423.32852	8.0
425.34277	2.3
437.30978	0.9
439.32260	1.6
441.33878	4.1
457.33173	2.2
467.31738	2.4
469.33176	4.8
475.34299	0.7
487.34366	100.0
488.34775	4.0
501.35706	1.8
519.09961	1.0
529.35388	6.3
543.38824	0.7
691.40430	0.8
793.44568	1.4
973.28625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6631
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06612	0.3
69.07020	0.5
71.26205	0.1
79.84389	0.1
98.21883	0.2
114.44437	0.1
116.92879	0.2
118.29604	0.1
135.04532	0.6
146.38728	0.1
161.02449	0.3
167.07578	0.1
178.33817	0.1
179.03514	0.3
243.58139	0.1
253.09340	0.4
261.29504	0.1
277.21756	2.7
393.31461	0.1
405.32120	0.2
407.33249	0.9
423.32922	0.2
425.34161	0.2
471.34811	100.0
472.35172	2.6
513.30762	0.1
638.52832	0.1
985.66241	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	987.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55010	2.3
69.55383	1.8
71.01389	8.9
71.73843	1.2
73.02964	5.8
82.43401	1.2
85.02962	3.4
87.00879	2.4
89.02457	3.5
101.02464	5.1
108.02177	3.7
109.02947	2.1
109.10426	1.1
113.02464	9.0
121.02985	4.2
123.04538	1.8
125.02486	1.8
127.04031	2.8
134.03735	5.0
136.01675	43.5
136.05325	2.6
137.02426	4.1
139.04083	1.1
143.03561	1.4
143.05061	3.4
147.04547	5.1
148.05255	1.3
149.02463	1.6
149.06094	3.0
150.03279	1.8
151.04033	25.9
152.04803	3.2
158.03764	1.7
159.04543	17.1
160.05316	68.6
161.02498	2.9
161.06076	2.7
162.03241	5.5
163.04044	13.7
163.10812	1.3
164.04732	2.0
167.07162	2.9
173.06088	4.8
174.06877	3.3
175.04144	1.9
175.07675	20.7
176.04765	1.6
177.05539	6.6
178.06375	4.3
179.03589	1.5
182.94908	1.2
192.07883	1.7
195.02930	1.3
204.04291	2.7
218.05920	1.6
219.06570	9.6
299.09262	3.3
311.11328	4.8
314.11606	5.7
316.32248	1.3
321.03775	1.7
329.13574	2.4
353.12363	3.7
355.12000	2.0
359.15048	29.5
371.13596	10.1
385.12961	100.0
403.13989	45.2
403.19315	2.2
413.14526	2.3
463.16229	1.9
475.18198	1.7
475.97290	1.5
481.17221	3.7
499.18268	4.6
517.19305	11.0
559.20465	17.1
601.21442	2.0
630.64886	1.5
757.27014	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	988.666
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16257	2.1
74.34383	0.8
78.95898	2.0
91.23781	0.9
160.13391	0.9
169.05756	0.7
218.70589	0.8
279.23306	25.5
387.08167	0.9
412.90356	0.8
469.33282	100.0
470.33536	2.9
504.23700	1.6
504.31042	30.6
683.19891	0.9
713.70795	0.9
988.66010	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	990.6831
Annotation	Unknow
Peak:m/z	Relative Intensity
75.76884	0.4
78.95913	3.0
96.00379	0.4
115.85498	0.5
140.67807	0.4
152.99515	1.1
168.04320	0.5
183.57831	0.5
224.06944	1.9
279.23306	18.5
315.92361	0.5
407.33334	1.1
425.34119	0.5
471.34811	100.0
472.35291	3.5
473.28735	0.5
504.30988	37.3
505.31375	1.0
540.93622	0.5
931.60394	1.0
990.68146	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	993.6443
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05016	1.7
83.05024	0.5
84.60521	0.4
108.77903	0.5
126.68960	0.5
188.96991	0.5
219.14055	0.6
302.11646	0.4
306.52197	0.5
369.28000	1.0
377.28503	1.3
391.30106	0.6
393.31656	1.2
419.29315	0.5
421.31119	0.5
423.32755	1.7
425.30774	2.9
437.30719	2.1
441.33862	1.3
467.31723	22.6
468.31882	0.7
485.32776	31.2
486.33151	1.0
820.42139	0.5
865.92938	0.5
943.22754	0.6
993.64484	100.0
994.64783	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	995.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21095	1.2
69.21505	0.3
71.01398	0.2
72.99316	15.0
86.43675	0.2
87.33949	0.2
100.31604	0.3
105.03452	0.7
107.05032	0.9
109.02956	0.9
117.03505	0.3
117.33526	0.3
121.03092	0.3
123.04539	8.2
132.02203	1.5
133.02974	25.2
134.03796	1.2
135.04544	20.7
136.01715	1.5
136.04845	0.3
137.02414	0.5
143.41733	0.2
146.83148	0.3
148.01711	0.5
151.04033	3.4
161.02464	100.0
162.02768	1.4
163.03874	0.3
166.02763	0.8
177.01926	0.6
179.03520	15.3
180.03880	0.4
181.05055	1.3
184.84879	0.2
188.39282	0.3
191.03600	1.3
197.04573	20.6
223.02510	0.5
231.03044	0.3
314.83978	0.3
339.08722	0.5
357.06290	1.3
358.06586	1.0
359.07748	36.8
360.08121	0.5
369.13492	0.4
387.14529	3.6
389.08856	0.9
451.41299	0.3
565.23279	1.4
869.77710	0.3
898.39764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.374
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	8.4
71.41171	1.2
71.42541	1.4
73.02928	1.9
80.05057	1.9
81.62258	1.1
85.02952	2.4
89.02434	5.2
101.02458	5.9
106.06634	5.0
113.02463	3.1
117.03487	3.4
119.03522	1.8
121.05264	1.0
122.06116	3.6
123.04498	1.2
132.02177	3.7
132.04538	2.4
133.02975	27.9
134.03795	9.4
134.06137	23.6
135.04550	22.7
146.06148	1.2
146.40260	1.1
148.05260	1.4
149.06071	4.4
150.05629	1.1
152.07178	4.2
160.01701	7.5
161.02464	54.4
163.03809	1.1
173.04791	1.1
174.05672	1.6
175.03983	5.4
176.04834	2.1
177.05627	6.2
179.03505	13.2
186.05698	1.7
191.07155	3.3
193.05035	5.5
211.08528	1.1
213.10355	2.7
221.04539	5.9
223.08823	1.5
224.09561	1.6
225.10435	3.2
235.06210	1.3
237.10356	2.7
239.11888	4.4
241.13463	2.5
249.10327	2.0
251.08249	5.7
251.11964	4.2
252.09128	1.9
253.09903	3.8
261.96991	1.1
263.08270	3.9
264.09052	3.2
265.09897	4.8
266.10358	1.2
267.11435	6.4
277.09756	6.4
278.07388	1.5
278.10751	3.4
279.07751	6.0
279.11411	7.6
281.06659	1.7
285.12436	3.7
289.09778	1.7
291.08014	1.3
291.11426	1.3
292.08496	3.2
293.09464	9.6
294.10046	2.1
295.10901	7.1
305.09442	3.8
306.10477	1.4
307.10880	8.0
309.12469	1.6
321.08759	4.2
321.12201	1.4
339.09885	5.4
341.11896	1.3
342.12201	1.3
344.13965	1.4
351.09839	3.0
358.15854	2.0
370.15659	1.8
384.13345	2.4
398.14737	2.2
400.16724	7.1
410.15051	1.8
412.16623	6.1
424.16989	1.6
426.14514	2.4
440.16180	2.4
442.18079	1.2
444.15616	2.8
456.15616	1.6
458.17136	2.8
468.15747	2.8
476.16125	1.3
486.16614	3.6
563.22992	1.5
591.22180	1.3
620.22491	5.6
638.23572	14.6
641.26086	1.4
648.21979	8.5
666.23212	34.6
727.29602	1.7
771.28992	22.4
803.31500	33.6
804.30585	1.4
828.26270	15.9
835.35052	1.9
842.27899	40.2
843.28204	2.4
874.15521	1.8
874.30548	18.0
889.32483	5.6
933.32086	69.0
947.33282	4.6
965.34656	100.0
966.35132	5.4
997.36810	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	997.6763
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65919	2.1
71.27370	0.9
75.12448	0.9
79.57192	0.8
81.15571	0.9
104.99612	0.8
121.11916	1.0
131.75792	0.9
140.48068	1.0
224.87599	1.0
483.23199	1.1
487.34351	100.0
488.34402	4.8
489.35028	1.3
638.14386	1.1
755.36664	1.1
997.67633	95.2
998.67834	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	997.6762
Annotation	Unknow
Peak:m/z	Relative Intensity
109.02914	1.4
185.02472	1.5
293.04233	2.0
295.06070	1.3
320.57764	1.2
321.04111	3.1
339.05148	3.1
427.31998	2.6
443.35321	1.6
467.31378	2.6
469.33307	16.5
487.27307	1.7
487.34409	36.0
488.34937	1.8
799.24353	1.3
856.69659	1.4
997.67621	100.0
998.68073	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	997.6756
Annotation	Unknow
Peak:m/z	Relative Intensity
74.58354	1.5
81.13030	1.4
107.41577	1.5
123.96014	1.6
138.69797	1.5
295.49393	1.6
487.34363	97.5
488.35226	3.8
753.42206	1.6
997.67517	100.0
998.67822	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	997.6757
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15040	2.0
89.10629	0.3
98.22635	0.6
106.43417	0.3
133.02931	0.3
148.87975	0.3
179.07199	0.3
229.59615	0.4
234.80617	0.3
244.23245	0.3
248.38496	0.3
271.08224	0.3
314.15231	0.4
379.30005	1.2
391.30112	0.9
393.31747	0.6
407.29773	0.4
409.31247	2.6
421.31259	0.9
487.34341	99.9
488.34708	4.6
489.35022	1.1
997.67578	100.0
998.67725	4.2
END